NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582249 | 2mf7 | 19538 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -2.872 -8.078 20.805 2 HA2 GLY 1 2HA GLY 1 -1.936 -8.721 18.168 3 HA3 GLY 1 1HA GLY 1 -3.686 -8.538 18.272 4 H ALA 2 H ALA 2 -2.285 -6.837 16.720 5 HA ALA 2 HA ALA 2 -1.897 -4.697 16.222 6 HB1 ALA 2 1HB ALA 2 -4.092 -4.106 16.592 7 HB2 ALA 2 2HB ALA 2 -3.257 -2.977 17.644 8 HB3 ALA 2 3HB ALA 2 -4.015 -4.410 18.328 9 H MET 3 H MET 3 -0.760 -5.902 19.068 10 HA MET 3 HA MET 3 0.326 -3.626 20.347 11 HB2 MET 3 2HB MET 3 1.099 -6.543 20.311 12 HB3 MET 3 1HB MET 3 1.974 -5.346 21.257 13 HG2 MET 3 2HG MET 3 -0.042 -4.713 22.459 14 HG3 MET 3 1HG MET 3 -1.020 -5.787 21.464 15 HE1 MET 3 3HE MET 3 -0.379 -7.999 20.941 16 HE2 MET 3 1HE MET 3 -1.363 -8.539 22.310 17 HE3 MET 3 2HE MET 3 0.236 -9.201 22.077 18 H GLY 4 H GLY 4 1.479 -5.779 17.828 19 HA2 GLY 4 2HA GLY 4 3.913 -4.246 17.353 20 HA3 GLY 4 1HA GLY 4 3.320 -5.615 16.415 21 H SER 5 H SER 5 2.052 -2.456 17.363 22 HA SER 5 HA SER 5 0.251 -2.197 15.265 23 HB2 SER 5 2HB SER 5 1.372 0.282 16.470 24 HB3 SER 5 1HB SER 5 -0.283 -0.179 16.162 25 HG SER 5 HG SER 5 0.056 -1.843 17.847 26 H GLY 6 H GLY 6 3.418 -2.389 14.648 27 HA2 GLY 6 2HA GLY 6 4.102 -0.127 13.178 28 HA3 GLY 6 1HA GLY 6 4.727 -1.746 12.885 29 H ASP 7 H ASP 7 2.566 -3.135 12.081 30 HA ASP 7 HA ASP 7 2.152 -2.339 9.374 31 HB2 ASP 7 2HB ASP 7 0.425 -4.133 9.387 32 HB3 ASP 7 1HB ASP 7 2.010 -4.697 9.874 33 H THR 8 H THR 8 0.255 -2.184 12.246 34 HA THR 8 HA THR 8 -2.145 -1.106 11.196 35 HB THR 8 HB THR 8 -0.999 -0.520 13.916 36 HG1 THR 8 1HG THR 8 -0.971 -2.869 13.115 37 HG21 THR 8 3HG2 THR 8 -3.713 -0.504 12.665 38 HG22 THR 8 1HG2 THR 8 -3.009 0.572 13.871 39 HG23 THR 8 2HG2 THR 8 -3.588 -1.018 14.346 40 H GLN 9 H GLN 9 0.724 0.392 12.599 41 HA GLN 9 HA GLN 9 -0.012 3.095 12.234 42 HB2 GLN 9 2HB GLN 9 2.500 1.589 12.802 43 HB3 GLN 9 1HB GLN 9 2.653 3.231 12.207 44 HG2 GLN 9 2HG GLN 9 0.666 2.774 14.380 45 HG3 GLN 9 1HG GLN 9 2.367 2.710 14.811 46 HE21 GLN 9 1HE2 GLN 9 -0.095 4.776 13.329 47 HE22 GLN 9 2HE2 GLN 9 0.713 6.240 13.601 48 H LEU 10 H LEU 10 2.007 0.886 10.340 49 HA LEU 10 HA LEU 10 2.569 2.788 8.357 50 HB2 LEU 10 2HB LEU 10 2.712 -0.211 8.213 51 HB3 LEU 10 1HB LEU 10 3.267 0.864 6.932 52 HG LEU 10 HG LEU 10 4.330 0.701 9.772 53 HD11 LEU 10 1HD1 LEU 10 6.280 0.677 7.711 54 HD12 LEU 10 2HD1 LEU 10 5.060 -0.548 7.368 55 HD13 LEU 10 3HD1 LEU 10 5.913 -0.546 8.927 56 HD21 LEU 10 3HD2 LEU 10 5.982 2.468 8.480 57 HD22 LEU 10 1HD2 LEU 10 4.699 2.932 9.577 58 HD23 LEU 10 2HD2 LEU 10 4.427 2.968 7.833 59 H PHE 11 H PHE 11 -0.027 0.431 8.633 60 HA PHE 11 HA PHE 11 -1.064 0.654 6.043 61 HB2 PHE 11 2HB PHE 11 -1.939 -0.979 7.551 62 HB3 PHE 11 1HB PHE 11 -2.413 0.238 8.717 63 HD1 PHE 11 1HD PHE 11 -3.157 -1.101 5.322 64 HD2 PHE 11 2HD PHE 11 -4.451 1.493 8.497 65 HE1 PHE 11 1HE PHE 11 -5.365 -0.842 4.224 66 HE2 PHE 11 2HE PHE 11 -6.650 1.746 7.395 67 HZ PHE 11 HZ PHE 11 -7.109 0.578 5.266 68 H ASN 12 H ASN 12 -1.852 2.516 8.948 69 HA ASN 12 HA ASN 12 -3.627 4.315 7.680 70 HB2 ASN 12 2HB ASN 12 -1.975 4.605 10.193 71 HB3 ASN 12 1HB ASN 12 -3.183 5.766 9.676 72 HD21 ASN 12 1HD2 ASN 12 -3.063 3.569 11.957 73 HD22 ASN 12 2HD2 ASN 12 -4.586 2.840 11.814 74 H ARG 13 H ARG 13 -0.204 4.474 8.431 75 HA ARG 13 HA ARG 13 0.268 7.063 7.389 76 HB2 ARG 13 2HB ARG 13 2.065 4.715 7.980 77 HB3 ARG 13 1HB ARG 13 2.669 6.275 7.410 78 HG2 ARG 13 2HG ARG 13 1.708 7.453 9.330 79 HG3 ARG 13 1HG ARG 13 0.835 5.963 9.728 80 HD2 ARG 13 2HD ARG 13 2.656 4.915 10.649 81 HD3 ARG 13 1HD ARG 13 3.797 5.757 9.655 82 HE ARG 13 HE ARG 13 4.121 7.003 11.577 83 HH11 ARG 13 1HH2 ARG 13 0.635 6.767 11.090 84 HH12 ARG 13 2HH2 ARG 13 0.264 7.714 12.443 85 HH21 ARG 13 1HH1 ARG 13 3.621 8.184 13.346 86 HH22 ARG 13 2HH1 ARG 13 1.996 8.547 13.802 87 H ALA 14 H ALA 14 0.519 3.835 5.946 88 HA ALA 14 HA ALA 14 1.490 4.781 3.430 89 HB1 ALA 14 1HB ALA 14 1.829 2.454 4.172 90 HB2 ALA 14 2HB ALA 14 0.980 2.520 2.624 91 HB3 ALA 14 3HB ALA 14 0.087 2.194 4.108 92 H VAL 15 H VAL 15 -1.734 3.778 4.602 93 HA VAL 15 HA VAL 15 -3.013 4.124 2.158 94 HB VAL 15 HB VAL 15 -3.843 2.938 4.315 95 HG11 VAL 15 1HG1 VAL 15 -5.100 5.659 4.721 96 HG12 VAL 15 2HG1 VAL 15 -3.772 5.019 5.701 97 HG13 VAL 15 3HG1 VAL 15 -5.338 4.224 5.717 98 HG21 VAL 15 3HG2 VAL 15 -5.383 2.627 2.656 99 HG22 VAL 15 1HG2 VAL 15 -5.367 4.319 2.162 100 HG23 VAL 15 2HG2 VAL 15 -6.300 3.816 3.559 101 H SER 16 H SER 16 -2.506 6.416 4.818 102 HA SER 16 HA SER 16 -4.216 8.418 3.923 103 HB2 SER 16 2HB SER 16 -2.453 9.920 5.116 104 HB3 SER 16 1HB SER 16 -3.385 8.789 6.051 105 HG SER 16 HG SER 16 -1.691 7.429 6.167 106 H MET 17 H MET 17 -0.829 7.825 3.213 107 HA MET 17 HA MET 17 -0.472 10.129 1.636 108 HB2 MET 17 2HB MET 17 1.080 7.550 1.588 109 HB3 MET 17 1HB MET 17 1.579 9.074 0.841 110 HG2 MET 17 2HG MET 17 1.212 10.094 3.256 111 HG3 MET 17 1HG MET 17 1.142 8.461 3.737 112 HE1 MET 17 3HE MET 17 4.501 6.818 3.264 113 HE2 MET 17 1HE MET 17 2.994 6.634 2.359 114 HE3 MET 17 2HE MET 17 2.966 6.811 4.108 115 H VAL 18 H VAL 18 -1.317 6.806 0.732 116 HA VAL 18 HA VAL 18 -1.356 7.388 -2.068 117 HB VAL 18 HB VAL 18 -2.437 5.211 -2.344 118 HG11 VAL 18 1HG1 VAL 18 0.064 5.395 -2.079 119 HG12 VAL 18 2HG1 VAL 18 -0.566 3.865 -1.493 120 HG13 VAL 18 3HG1 VAL 18 -0.146 5.131 -0.351 121 HG21 VAL 18 3HG2 VAL 18 -3.838 5.149 -0.332 122 HG22 VAL 18 1HG2 VAL 18 -2.392 5.235 0.670 123 HG23 VAL 18 2HG2 VAL 18 -2.711 3.786 -0.281 124 H GLU 19 H GLU 19 -3.906 7.327 0.404 125 HA GLU 19 HA GLU 19 -6.068 7.616 -1.379 126 HB2 GLU 19 2HB GLU 19 -5.725 8.656 1.453 127 HB3 GLU 19 1HB GLU 19 -7.227 8.652 0.513 128 HG2 GLU 19 2HG GLU 19 -7.235 6.229 0.435 129 HG3 GLU 19 1HG GLU 19 -5.693 6.151 1.245 130 H LYS 20 H LYS 20 -3.877 9.912 0.150 131 HA LYS 20 HA LYS 20 -5.395 12.161 -0.922 132 HB2 LYS 20 2HB LYS 20 -2.988 12.198 0.904 133 HB3 LYS 20 1HB LYS 20 -4.108 13.521 0.610 134 HG2 LYS 20 2HG LYS 20 -4.869 10.849 1.855 135 HG3 LYS 20 1HG LYS 20 -4.618 12.330 2.748 136 HD2 LYS 20 2HD LYS 20 -6.716 13.051 2.305 137 HD3 LYS 20 1HD LYS 20 -6.536 12.807 0.585 138 HE2 LYS 20 2HE LYS 20 -8.363 11.354 1.514 139 HE3 LYS 20 1HE LYS 20 -7.051 10.470 0.789 140 HZ1 LYS 20 3HZ LYS 20 -7.250 9.315 2.801 141 HZ2 LYS 20 1HZ LYS 20 -7.736 10.675 3.646 142 HZ3 LYS 20 2HZ LYS 20 -6.126 10.479 3.256 143 H ASN 21 H ASN 21 -2.748 10.356 -1.962 144 HA ASN 21 HA ASN 21 -1.241 12.482 -3.181 145 HB2 ASN 21 2HB ASN 21 -0.324 10.118 -2.823 146 HB3 ASN 21 1HB ASN 21 -1.390 9.627 -4.129 147 HD21 ASN 21 1HD2 ASN 21 1.766 10.771 -3.600 148 HD22 ASN 21 2HD2 ASN 21 2.055 11.295 -5.182 149 H LYS 22 H LYS 22 -1.691 13.631 -4.884 150 HA LYS 22 HA LYS 22 -4.166 13.607 -6.149 151 HB2 LYS 22 2HB LYS 22 -3.257 15.212 -7.708 152 HB3 LYS 22 1HB LYS 22 -2.671 15.582 -6.098 153 HG2 LYS 22 2HG LYS 22 -1.082 14.060 -8.222 154 HG3 LYS 22 1HG LYS 22 -0.872 15.746 -7.845 155 HD2 LYS 22 2HD LYS 22 -0.462 15.022 -5.412 156 HD3 LYS 22 1HD LYS 22 -0.267 13.399 -6.036 157 HE2 LYS 22 2HE LYS 22 1.336 15.816 -6.908 158 HE3 LYS 22 1HE LYS 22 1.875 14.517 -5.854 159 HZ1 LYS 22 3HZ LYS 22 2.066 13.048 -7.609 160 HZ2 LYS 22 1HZ LYS 22 2.391 14.474 -8.376 161 HZ3 LYS 22 2HZ LYS 22 0.887 13.766 -8.576 162 H ASP 23 H ASP 23 -1.074 12.243 -7.184 163 HA ASP 23 HA ASP 23 -1.837 11.470 -9.771 164 HB2 ASP 23 2HB ASP 23 0.168 10.411 -7.797 165 HB3 ASP 23 1HB ASP 23 0.027 9.792 -9.410 166 H ILE 24 H ILE 24 -1.726 9.763 -6.700 167 HA ILE 24 HA ILE 24 -2.924 7.406 -7.717 168 HB ILE 24 HB ILE 24 -2.604 8.358 -4.854 169 HG12 ILE 24 2HG1 ILE 24 -1.144 6.200 -6.444 170 HG13 ILE 24 1HG1 ILE 24 -0.548 7.835 -6.252 171 HG21 ILE 24 1HG2 ILE 24 -4.313 6.819 -4.608 172 HG22 ILE 24 2HG2 ILE 24 -2.921 5.749 -4.546 173 HG23 ILE 24 3HG2 ILE 24 -3.855 5.886 -6.033 174 HD11 ILE 24 3HD1 ILE 24 -0.218 7.602 -3.948 175 HD12 ILE 24 1HD1 ILE 24 0.285 6.034 -4.599 176 HD13 ILE 24 2HD1 ILE 24 -1.305 6.201 -3.861 177 H ARG 25 H ARG 25 -4.204 10.231 -5.994 178 HA ARG 25 HA ARG 25 -6.850 9.373 -5.774 179 HB2 ARG 25 2HB ARG 25 -5.532 12.020 -5.901 180 HB3 ARG 25 1HB ARG 25 -7.258 11.987 -6.198 181 HG2 ARG 25 2HG ARG 25 -7.516 10.640 -4.028 182 HG3 ARG 25 1HG ARG 25 -5.800 10.889 -3.772 183 HD2 ARG 25 2HD ARG 25 -7.682 13.217 -4.166 184 HD3 ARG 25 1HD ARG 25 -7.406 12.492 -2.591 185 HE ARG 25 HE ARG 25 -4.878 12.991 -3.468 186 HH11 ARG 25 1HH2 ARG 25 -7.771 14.956 -3.339 187 HH12 ARG 25 2HH2 ARG 25 -6.940 16.389 -2.935 188 HH21 ARG 25 1HH1 ARG 25 -3.797 14.869 -2.910 189 HH22 ARG 25 2HH1 ARG 25 -4.612 16.366 -2.708 190 H SER 26 H SER 26 -5.185 10.884 -8.435 191 HA SER 26 HA SER 26 -7.365 11.114 -10.227 192 HB2 SER 26 2HB SER 26 -4.475 10.533 -10.777 193 HB3 SER 26 1HB SER 26 -5.613 11.193 -11.959 194 HG SER 26 HG SER 26 -4.584 12.310 -9.531 195 H LEU 27 H LEU 27 -5.096 8.475 -9.503 196 HA LEU 27 HA LEU 27 -6.125 6.580 -11.385 197 HB2 LEU 27 2HB LEU 27 -4.699 6.121 -8.738 198 HB3 LEU 27 1HB LEU 27 -4.996 4.916 -9.967 199 HG LEU 27 HG LEU 27 -3.413 7.446 -10.459 200 HD11 LEU 27 1HD1 LEU 27 -2.524 5.502 -8.876 201 HD12 LEU 27 2HD1 LEU 27 -1.513 6.406 -9.984 202 HD13 LEU 27 3HD1 LEU 27 -2.090 4.788 -10.440 203 HD21 LEU 27 3HD2 LEU 27 -2.870 5.280 -12.276 204 HD22 LEU 27 1HD2 LEU 27 -3.495 6.882 -12.628 205 HD23 LEU 27 2HD2 LEU 27 -4.604 5.565 -12.248 206 H LEU 28 H LEU 28 -6.778 7.395 -8.059 207 HA LEU 28 HA LEU 28 -8.714 5.312 -7.609 208 HB2 LEU 28 2HB LEU 28 -8.044 7.794 -6.024 209 HB3 LEU 28 1HB LEU 28 -9.124 6.577 -5.426 210 HG LEU 28 HG LEU 28 -6.194 6.137 -6.143 211 HD11 LEU 28 1HD1 LEU 28 -6.308 7.410 -4.143 212 HD12 LEU 28 2HD1 LEU 28 -6.036 5.744 -3.657 213 HD13 LEU 28 3HD1 LEU 28 -7.636 6.449 -3.501 214 HD21 LEU 28 3HD2 LEU 28 -7.594 4.072 -6.488 215 HD22 LEU 28 1HD2 LEU 28 -8.211 4.258 -4.844 216 HD23 LEU 28 2HD2 LEU 28 -6.512 3.930 -5.114 217 H GLN 29 H GLN 29 -8.899 8.040 -9.432 218 HA GLN 29 HA GLN 29 -10.622 9.287 -10.295 219 HB2 GLN 29 2HB GLN 29 -12.345 7.066 -9.125 220 HB3 GLN 29 1HB GLN 29 -12.879 8.284 -10.270 221 HG2 GLN 29 2HG GLN 29 -10.621 6.342 -10.834 222 HG3 GLN 29 1HG GLN 29 -12.266 6.106 -11.381 223 HE21 GLN 29 1HE2 GLN 29 -9.385 7.153 -12.533 224 HE22 GLN 29 2HE2 GLN 29 -9.929 8.295 -13.648 225 H CYS 30 H CYS 30 -9.594 9.674 -7.589 226 HA CYS 30 HA CYS 30 -11.738 10.259 -5.801 227 HB2 CYS 30 2HB CYS 30 -9.171 9.858 -5.337 228 HB3 CYS 30 1HB CYS 30 -9.106 11.612 -5.508 229 HG CYS 30 HG CYS 30 -10.021 11.753 -3.211 230 H ASP 31 H ASP 31 -12.849 11.406 -7.734 231 HA ASP 31 HA ASP 31 -12.224 14.291 -7.555 232 HB2 ASP 31 2HB ASP 31 -12.548 13.242 -9.898 233 HB3 ASP 31 1HB ASP 31 -14.235 13.057 -9.446 234 H ASP 32 H ASP 32 -13.085 14.719 -5.566 235 HA ASP 32 HA ASP 32 -15.709 13.799 -4.872 236 HB2 ASP 32 2HB ASP 32 -13.598 15.377 -3.542 237 HB3 ASP 32 1HB ASP 32 -15.211 15.700 -2.980 238 H GLY 33 H GLY 33 -17.619 14.793 -5.036 239 HA2 GLY 33 2HA GLY 33 -19.033 16.648 -5.277 240 HA3 GLY 33 1HA GLY 33 -17.698 17.580 -5.957 241 H ILE 34 H ILE 34 -17.257 14.767 -7.440 242 HA ILE 34 HA ILE 34 -18.356 15.642 -9.906 243 HB ILE 34 HB ILE 34 -16.310 14.201 -9.654 244 HG12 ILE 34 2HG1 ILE 34 -16.870 12.694 -11.597 245 HG13 ILE 34 1HG1 ILE 34 -18.542 13.224 -11.475 246 HG21 ILE 34 1HG2 ILE 34 -17.894 11.732 -9.618 247 HG22 ILE 34 2HG2 ILE 34 -17.769 12.566 -8.052 248 HG23 ILE 34 3HG2 ILE 34 -16.328 12.083 -8.929 249 HD11 ILE 34 3HD1 ILE 34 -16.307 15.235 -11.676 250 HD12 ILE 34 1HD1 ILE 34 -18.016 15.437 -12.069 251 HD13 ILE 34 2HD1 ILE 34 -16.983 14.472 -13.118 252 H THR 35 H THR 35 -19.395 13.342 -7.500 253 HA THR 35 HA THR 35 -22.119 13.580 -8.439 254 HB THR 35 HB THR 35 -21.666 11.529 -9.547 255 HG1 THR 35 1HG THR 35 -23.250 10.601 -8.634 256 HG21 THR 35 3HG2 THR 35 -20.479 9.622 -8.310 257 HG22 THR 35 1HG2 THR 35 -19.966 10.848 -7.145 258 HG23 THR 35 2HG2 THR 35 -19.509 10.964 -8.847 259 H GLY 36 H GLY 36 -21.537 15.027 -6.563 260 HA2 GLY 36 2HA GLY 36 -21.849 15.526 -4.318 261 HA3 GLY 36 1HA GLY 36 -22.268 13.830 -4.024 262 H LYS 37 H LYS 37 -20.729 13.958 -2.229 263 HA LYS 37 HA LYS 37 -17.959 13.697 -3.219 264 HB2 LYS 37 2HB LYS 37 -19.114 14.580 -0.589 265 HB3 LYS 37 1HB LYS 37 -17.522 13.841 -0.641 266 HG2 LYS 37 2HG LYS 37 -17.009 16.151 -0.960 267 HG3 LYS 37 1HG LYS 37 -17.016 15.443 -2.571 268 HD2 LYS 37 2HD LYS 37 -18.281 17.331 -2.951 269 HD3 LYS 37 1HD LYS 37 -19.546 16.161 -2.624 270 HE2 LYS 37 2HE LYS 37 -19.914 16.979 -0.455 271 HE3 LYS 37 1HE LYS 37 -18.369 17.835 -0.387 272 HZ1 LYS 37 3HZ LYS 37 -19.187 19.516 -1.804 273 HZ2 LYS 37 1HZ LYS 37 -20.474 19.182 -0.799 274 HZ3 LYS 37 2HZ LYS 37 -20.481 18.587 -2.360 275 H GLU 38 H GLU 38 -17.289 11.737 -3.481 276 HA GLU 38 HA GLU 38 -18.850 9.560 -2.412 277 HB2 GLU 38 2HB GLU 38 -16.728 9.766 -4.500 278 HB3 GLU 38 1HB GLU 38 -17.330 8.183 -3.992 279 HG2 GLU 38 2HG GLU 38 -19.634 8.948 -4.531 280 HG3 GLU 38 1HG GLU 38 -18.995 10.504 -4.988 281 H ARG 39 H ARG 39 -17.915 7.603 -1.590 282 HA ARG 39 HA ARG 39 -16.047 8.277 0.599 283 HB2 ARG 39 2HB ARG 39 -17.840 5.871 0.234 284 HB3 ARG 39 1HB ARG 39 -16.946 6.284 1.684 285 HG2 ARG 39 2HG ARG 39 -19.081 8.044 0.441 286 HG3 ARG 39 1HG ARG 39 -19.378 6.901 1.740 287 HD2 ARG 39 2HD ARG 39 -17.381 8.168 2.917 288 HD3 ARG 39 1HD ARG 39 -17.800 9.465 1.831 289 HE ARG 39 HE ARG 39 -19.538 8.289 3.896 290 HH11 ARG 39 1HH2 ARG 39 -18.954 10.740 1.458 291 HH12 ARG 39 2HH2 ARG 39 -20.202 11.779 2.026 292 HH21 ARG 39 1HH1 ARG 39 -21.220 9.739 4.628 293 HH22 ARG 39 2HH1 ARG 39 -21.470 11.218 3.802 294 H LEU 40 H LEU 40 -14.070 7.412 0.768 295 HA LEU 40 HA LEU 40 -13.262 5.184 -0.987 296 HB2 LEU 40 2HB LEU 40 -11.570 7.118 0.639 297 HB3 LEU 40 1HB LEU 40 -10.950 5.717 -0.214 298 HG LEU 40 HG LEU 40 -12.278 6.746 -2.264 299 HD11 LEU 40 1HD1 LEU 40 -11.976 9.256 -2.161 300 HD12 LEU 40 2HD1 LEU 40 -11.803 9.069 -0.411 301 HD13 LEU 40 3HD1 LEU 40 -13.309 8.587 -1.210 302 HD21 LEU 40 3HD2 LEU 40 -9.778 6.377 -2.050 303 HD22 LEU 40 1HD2 LEU 40 -9.664 7.986 -1.337 304 HD23 LEU 40 2HD2 LEU 40 -10.205 7.801 -2.998 305 H LYS 41 H LYS 41 -12.240 3.360 -0.076 306 HA LYS 41 HA LYS 41 -12.381 3.076 2.859 307 HB2 LYS 41 2HB LYS 41 -13.446 0.999 0.910 308 HB3 LYS 41 1HB LYS 41 -13.234 0.758 2.623 309 HG2 LYS 41 2HG LYS 41 -14.834 3.184 1.914 310 HG3 LYS 41 1HG LYS 41 -15.526 1.635 1.492 311 HD2 LYS 41 2HD LYS 41 -16.275 2.060 3.735 312 HD3 LYS 41 1HD LYS 41 -15.048 0.824 3.834 313 HE2 LYS 41 2HE LYS 41 -14.761 2.638 5.543 314 HE3 LYS 41 1HE LYS 41 -13.366 2.385 4.485 315 HZ1 LYS 41 3HZ LYS 41 -13.915 4.725 4.812 316 HZ2 LYS 41 1HZ LYS 41 -15.427 4.533 4.153 317 HZ3 LYS 41 2HZ LYS 41 -14.025 4.381 3.194 318 H ALA 42 H ALA 42 -10.862 1.627 3.744 319 HA ALA 42 HA ALA 42 -8.989 0.445 1.855 320 HB1 ALA 42 1HB ALA 42 -8.045 2.631 2.465 321 HB2 ALA 42 2HB ALA 42 -7.046 1.293 3.043 322 HB3 ALA 42 3HB ALA 42 -8.085 2.167 4.167 323 H TYR 43 H TYR 43 -8.287 -1.531 2.420 324 HA TYR 43 HA TYR 43 -8.063 -2.383 5.118 325 HB2 TYR 43 2HB TYR 43 -9.743 -4.291 4.834 326 HB3 TYR 43 1HB TYR 43 -10.409 -2.703 5.175 327 HD1 TYR 43 1HD TYR 43 -9.556 -4.985 2.330 328 HD2 TYR 43 2HD TYR 43 -11.981 -1.721 3.704 329 HE1 TYR 43 1HE TYR 43 -10.836 -5.097 0.285 330 HE2 TYR 43 2HE TYR 43 -13.293 -1.822 1.619 331 HH TYR 43 HH TYR 43 -13.485 -2.768 -0.404 332 H GLY 44 H GLY 44 -7.440 -4.803 5.233 333 HA2 GLY 44 2HA GLY 44 -5.401 -5.349 3.309 334 HA3 GLY 44 1HA GLY 44 -5.973 -6.382 4.587 335 H GLU 45 H GLU 45 -5.388 -7.369 2.052 336 HA GLU 45 HA GLU 45 -7.040 -7.908 0.067 337 HB2 GLU 45 2HB GLU 45 -5.651 -9.704 1.962 338 HB3 GLU 45 1HB GLU 45 -6.647 -10.449 0.719 339 HG2 GLU 45 2HG GLU 45 -4.825 -8.269 -0.193 340 HG3 GLU 45 1HG GLU 45 -4.025 -9.728 0.301 341 H LEU 46 H LEU 46 -9.135 -8.065 -0.191 342 HA LEU 46 HA LEU 46 -10.870 -8.219 2.051 343 HB2 LEU 46 2HB LEU 46 -12.657 -8.265 0.111 344 HB3 LEU 46 1HB LEU 46 -11.792 -6.811 0.509 345 HG LEU 46 HG LEU 46 -10.554 -8.667 -1.524 346 HD11 LEU 46 1HD1 LEU 46 -12.403 -6.561 -2.524 347 HD12 LEU 46 2HD1 LEU 46 -13.129 -8.066 -1.977 348 HD13 LEU 46 3HD1 LEU 46 -11.916 -8.076 -3.258 349 HD21 LEU 46 3HD2 LEU 46 -10.723 -5.671 -1.680 350 HD22 LEU 46 1HD2 LEU 46 -9.461 -6.732 -2.271 351 HD23 LEU 46 2HD2 LEU 46 -9.575 -6.386 -0.548 352 H ILE 47 H ILE 47 -11.906 -9.909 -0.783 353 HA ILE 47 HA ILE 47 -12.566 -12.228 0.869 354 HB ILE 47 HB ILE 47 -14.180 -12.768 -0.879 355 HG12 ILE 47 2HG1 ILE 47 -13.327 -10.164 -2.196 356 HG13 ILE 47 1HG1 ILE 47 -12.848 -11.759 -2.781 357 HG21 ILE 47 1HG2 ILE 47 -14.251 -9.945 0.217 358 HG22 ILE 47 2HG2 ILE 47 -15.040 -11.385 0.863 359 HG23 ILE 47 3HG2 ILE 47 -15.603 -10.673 -0.638 360 HD11 ILE 47 3HD1 ILE 47 -15.469 -10.408 -2.885 361 HD12 ILE 47 1HD1 ILE 47 -15.509 -12.141 -2.564 362 HD13 ILE 47 2HD1 ILE 47 -14.728 -11.542 -4.023 363 H THR 48 H THR 48 -9.996 -11.504 -0.753 364 HA THR 48 HA THR 48 -9.182 -12.823 -2.791 365 HB THR 48 HB THR 48 -7.755 -13.743 -0.379 366 HG1 THR 48 1HG THR 48 -7.420 -11.052 -0.966 367 HG21 THR 48 3HG2 THR 48 -5.921 -12.545 -1.570 368 HG22 THR 48 1HG2 THR 48 -6.994 -12.380 -2.960 369 HG23 THR 48 2HG2 THR 48 -6.547 -13.993 -2.352 370 H ASN 49 H ASN 49 -9.525 -14.674 0.223 371 HA ASN 49 HA ASN 49 -10.026 -17.117 -1.359 372 HB2 ASN 49 2HB ASN 49 -8.771 -16.996 1.402 373 HB3 ASN 49 1HB ASN 49 -9.038 -18.430 0.419 374 HD21 ASN 49 1HD2 ASN 49 -7.572 -18.863 -1.310 375 HD22 ASN 49 2HD2 ASN 49 -6.191 -17.932 -1.580 376 H ASP 50 H ASP 50 -10.394 -17.067 2.117 377 HA ASP 50 HA ASP 50 -13.300 -17.445 1.794 378 HB2 ASP 50 2HB ASP 50 -11.438 -18.109 4.086 379 HB3 ASP 50 1HB ASP 50 -13.176 -18.077 4.263 380 H LYS 51 H LYS 51 -11.684 -16.276 4.640 381 HA LYS 51 HA LYS 51 -13.436 -13.911 4.545 382 HB2 LYS 51 2HB LYS 51 -12.658 -15.648 6.870 383 HB3 LYS 51 1HB LYS 51 -13.380 -14.050 7.067 384 HG2 LYS 51 2HG LYS 51 -15.291 -14.727 5.658 385 HG3 LYS 51 1HG LYS 51 -14.568 -16.336 5.483 386 HD2 LYS 51 2HD LYS 51 -14.793 -16.746 7.885 387 HD3 LYS 51 1HD LYS 51 -15.353 -15.100 8.140 388 HE2 LYS 51 2HE LYS 51 -17.189 -16.882 8.024 389 HE3 LYS 51 1HE LYS 51 -17.389 -15.468 6.998 390 HZ1 LYS 51 3HZ LYS 51 -16.389 -16.807 5.142 391 HZ2 LYS 51 1HZ LYS 51 -17.842 -17.418 5.701 392 HZ3 LYS 51 2HZ LYS 51 -16.420 -18.157 6.152 393 H TRP 52 H TRP 52 -11.053 -14.363 7.022 394 HA TRP 52 HA TRP 52 -10.084 -11.721 6.322 395 HB2 TRP 52 2HB TRP 52 -11.020 -12.597 8.683 396 HB3 TRP 52 1HB TRP 52 -9.284 -12.777 8.945 397 HD1 TRP 52 HD TRP 52 -11.948 -10.157 8.118 398 HE1 TRP 52 1HE TRP 52 -10.991 -7.823 8.607 399 HE3 TRP 52 3HE TRP 52 -7.105 -11.392 9.183 400 HZ2 TRP 52 2HZ TRP 52 -8.510 -6.623 9.360 401 HZ3 TRP 52 3HZ TRP 52 -5.467 -9.634 9.783 402 HH2 TRP 52 HH TRP 52 -6.161 -7.249 9.874 403 H THR 53 H THR 53 -8.780 -14.924 6.923 404 HA THR 53 HA THR 53 -6.039 -14.010 7.018 405 HB THR 53 HB THR 53 -5.618 -16.524 7.122 406 HG1 THR 53 1HG THR 53 -7.257 -17.724 6.719 407 HG21 THR 53 3HG2 THR 53 -5.935 -14.896 9.087 408 HG22 THR 53 1HG2 THR 53 -6.196 -16.605 9.409 409 HG23 THR 53 2HG2 THR 53 -7.574 -15.526 9.194 410 H ARG 54 H ARG 54 -8.080 -14.356 4.566 411 HA ARG 54 HA ARG 54 -7.435 -15.917 2.600 412 HB2 ARG 54 2HB ARG 54 -7.305 -13.200 1.442 413 HB3 ARG 54 1HB ARG 54 -8.370 -14.587 1.247 414 HG2 ARG 54 2HG ARG 54 -9.788 -12.992 2.125 415 HG3 ARG 54 1HG ARG 54 -9.362 -13.924 3.541 416 HD2 ARG 54 2HD ARG 54 -7.599 -12.212 4.098 417 HD3 ARG 54 1HD ARG 54 -8.049 -11.345 2.644 418 HE ARG 54 HE ARG 54 -10.403 -11.622 4.045 419 HH11 ARG 54 1HH2 ARG 54 -7.275 -10.243 4.685 420 HH12 ARG 54 2HH2 ARG 54 -7.867 -8.960 5.663 421 HH21 ARG 54 1HH1 ARG 54 -11.216 -9.946 5.354 422 HH22 ARG 54 2HH1 ARG 54 -10.159 -8.795 6.045 423 H ASN 55 H ASN 55 -5.740 -12.962 1.855 424 HA ASN 55 HA ASN 55 -3.343 -14.586 1.262 425 HB2 ASN 55 2HB ASN 55 -4.503 -13.760 -0.707 426 HB3 ASN 55 1HB ASN 55 -4.397 -12.099 -0.127 427 HD21 ASN 55 1HD2 ASN 55 -3.098 -11.575 -2.061 428 HD22 ASN 55 2HD2 ASN 55 -1.474 -12.060 -2.167 429 H ARG 56 H ARG 56 -3.465 -11.118 1.073 430 HA ARG 56 HA ARG 56 -1.818 -10.958 3.502 431 HB2 ARG 56 2HB ARG 56 -1.389 -8.620 1.997 432 HB3 ARG 56 1HB ARG 56 -0.234 -9.848 2.385 433 HG2 ARG 56 2HG ARG 56 -2.055 -10.474 0.051 434 HG3 ARG 56 1HG ARG 56 -0.875 -9.225 -0.165 435 HD2 ARG 56 2HD ARG 56 -0.018 -11.469 -0.816 436 HD3 ARG 56 1HD ARG 56 0.989 -10.702 0.373 437 HE ARG 56 HE ARG 56 -0.782 -13.012 0.726 438 HH11 ARG 56 1HH2 ARG 56 1.476 -10.718 2.132 439 HH12 ARG 56 2HH2 ARG 56 1.788 -11.667 3.524 440 HH21 ARG 56 1HH1 ARG 56 -0.355 -14.262 2.639 441 HH22 ARG 56 2HH1 ARG 56 0.720 -13.689 3.829 442 HA PRO 57 HA PRO 57 -5.335 -8.364 4.634 443 HB2 PRO 57 2HB PRO 57 -4.637 -8.916 7.347 444 HB3 PRO 57 1HB PRO 57 -6.067 -9.448 6.494 445 HG2 PRO 57 2HG PRO 57 -3.658 -11.000 7.059 446 HG3 PRO 57 1HG PRO 57 -5.252 -11.557 6.564 447 HD2 PRO 57 2HD PRO 57 -3.085 -11.641 4.926 448 HD3 PRO 57 1HD PRO 57 -4.718 -11.484 4.256 449 H ILE 58 H ILE 58 -5.079 -6.549 6.514 450 HA ILE 58 HA ILE 58 -2.891 -4.939 5.732 451 HB ILE 58 HB ILE 58 -4.511 -4.738 8.280 452 HG12 ILE 58 2HG1 ILE 58 -4.918 -3.292 5.630 453 HG13 ILE 58 1HG1 ILE 58 -5.841 -4.709 6.166 454 HG21 ILE 58 1HG2 ILE 58 -3.869 -2.264 7.961 455 HG22 ILE 58 2HG2 ILE 58 -2.621 -2.850 6.862 456 HG23 ILE 58 3HG2 ILE 58 -2.605 -3.340 8.546 457 HD11 ILE 58 3HD1 ILE 58 -5.949 -1.911 7.094 458 HD12 ILE 58 1HD1 ILE 58 -6.107 -3.135 8.347 459 HD13 ILE 58 2HD1 ILE 58 -7.244 -3.104 6.998 460 H VAL 59 H VAL 59 -1.125 -6.424 5.920 461 HA VAL 59 HA VAL 59 0.086 -6.385 8.596 462 HB VAL 59 HB VAL 59 0.875 -8.685 8.293 463 HG11 VAL 59 1HG1 VAL 59 -1.120 -9.754 8.925 464 HG12 VAL 59 2HG1 VAL 59 -2.087 -8.740 7.844 465 HG13 VAL 59 3HG1 VAL 59 -1.430 -8.052 9.338 466 HG21 VAL 59 3HG2 VAL 59 0.874 -9.568 6.194 467 HG22 VAL 59 1HG2 VAL 59 -0.154 -8.276 5.593 468 HG23 VAL 59 2HG2 VAL 59 -0.872 -9.709 6.303 469 H SER 60 H SER 60 2.410 -6.727 8.497 470 HA SER 60 HA SER 60 3.599 -6.184 5.853 471 HB2 SER 60 2HB SER 60 4.960 -5.457 8.460 472 HB3 SER 60 1HB SER 60 5.376 -4.981 6.831 473 HG SER 60 HG SER 60 2.819 -4.267 7.486 474 H THR 61 H THR 61 4.755 -7.984 5.173 475 HA THR 61 HA THR 61 5.022 -10.192 6.939 476 HB THR 61 HB THR 61 6.124 -11.334 5.173 477 HG1 THR 61 1HG THR 61 7.543 -9.399 4.892 478 HG21 THR 61 3HG2 THR 61 4.409 -9.342 3.674 479 HG22 THR 61 1HG2 THR 61 3.725 -10.558 4.748 480 HG23 THR 61 2HG2 THR 61 4.649 -11.053 3.342 481 H LYS 62 H LYS 62 6.055 -9.466 8.748 482 HA LYS 62 HA LYS 62 8.351 -7.903 8.868 483 HB2 LYS 62 2HB LYS 62 7.369 -9.968 10.851 484 HB3 LYS 62 1HB LYS 62 8.598 -8.755 11.163 485 HG2 LYS 62 2HG LYS 62 5.827 -8.006 10.211 486 HG3 LYS 62 1HG LYS 62 6.207 -8.227 11.912 487 HD2 LYS 62 2HD LYS 62 8.188 -6.561 11.469 488 HD3 LYS 62 1HD LYS 62 7.294 -6.154 10.009 489 HE2 LYS 62 2HE LYS 62 6.829 -4.743 12.063 490 HE3 LYS 62 1HE LYS 62 5.420 -5.387 11.210 491 HZ1 LYS 62 3HZ LYS 62 5.724 -5.572 13.797 492 HZ2 LYS 62 1HZ LYS 62 6.532 -6.993 13.443 493 HZ3 LYS 62 2HZ LYS 62 4.918 -6.758 12.963 494 H LYS 63 H LYS 63 10.254 -8.393 7.982 495 HA LYS 63 HA LYS 63 11.411 -11.018 8.682 496 HB2 LYS 63 2HB LYS 63 12.134 -9.526 6.157 497 HB3 LYS 63 1HB LYS 63 12.641 -11.125 6.683 498 HG2 LYS 63 2HG LYS 63 10.021 -11.640 6.660 499 HG3 LYS 63 1HG LYS 63 9.993 -10.293 5.531 500 HD2 LYS 63 2HD LYS 63 11.672 -12.804 5.247 501 HD3 LYS 63 1HD LYS 63 10.252 -12.390 4.312 502 HE2 LYS 63 2HE LYS 63 11.570 -11.324 2.835 503 HE3 LYS 63 1HE LYS 63 11.980 -10.139 4.069 504 HZ1 LYS 63 3HZ LYS 63 13.406 -12.743 3.721 505 HZ2 LYS 63 1HZ LYS 63 13.869 -11.465 4.727 506 HZ3 LYS 63 2HZ LYS 63 13.922 -11.258 3.089 507 H LEU 64 H LEU 64 13.181 -10.836 9.835 508 HA LEU 64 HA LEU 64 14.567 -8.242 9.963 509 HB2 LEU 64 2HB LEU 64 13.849 -9.616 12.087 510 HB3 LEU 64 1HB LEU 64 15.205 -10.643 11.691 511 HG LEU 64 HG LEU 64 16.275 -9.158 13.058 512 HD11 LEU 64 1HD1 LEU 64 17.537 -7.520 11.826 513 HD12 LEU 64 2HD1 LEU 64 16.391 -7.510 10.508 514 HD13 LEU 64 3HD1 LEU 64 17.377 -8.949 10.822 515 HD21 LEU 64 3HD2 LEU 64 14.601 -7.696 13.802 516 HD22 LEU 64 1HD2 LEU 64 14.164 -7.206 12.166 517 HD23 LEU 64 2HD2 LEU 64 15.635 -6.595 12.903 518 H ASP 65 H ASP 65 15.451 -8.472 7.926 519 HA ASP 65 HA ASP 65 16.793 -10.875 7.200 520 HB2 ASP 65 2HB ASP 65 16.041 -8.362 5.834 521 HB3 ASP 65 1HB ASP 65 17.453 -9.198 5.200 522 H LYS 66 H LYS 66 18.840 -10.663 6.023 523 HA LYS 66 HA LYS 66 21.095 -10.301 7.569 524 HB2 LYS 66 2HB LYS 66 22.326 -10.195 5.455 525 HB3 LYS 66 1HB LYS 66 21.085 -11.455 5.421 526 HG2 LYS 66 2HG LYS 66 20.158 -8.769 4.438 527 HG3 LYS 66 1HG LYS 66 21.374 -9.557 3.462 528 HD2 LYS 66 2HD LYS 66 20.054 -11.376 2.967 529 HD3 LYS 66 1HD LYS 66 18.971 -11.180 4.323 530 HE2 LYS 66 2HE LYS 66 18.152 -9.034 3.298 531 HE3 LYS 66 1HE LYS 66 19.124 -9.359 1.877 532 HZ1 LYS 66 3HZ LYS 66 17.836 -11.668 2.055 533 HZ2 LYS 66 1HZ LYS 66 17.116 -10.346 1.287 534 HZ3 LYS 66 2HZ LYS 66 16.730 -10.698 2.880 535 H GLU 67 H GLU 67 19.079 -7.939 6.178 536 HA GLU 67 HA GLU 67 20.879 -5.834 5.751 537 HB2 GLU 67 2HB GLU 67 17.991 -5.598 6.562 538 HB3 GLU 67 1HB GLU 67 18.920 -4.433 5.633 539 HG2 GLU 67 2HG GLU 67 18.179 -7.261 4.705 540 HG3 GLU 67 1HG GLU 67 17.445 -5.785 4.152 541 H GLY 68 H GLY 68 19.160 -7.013 8.574 542 HA2 GLY 68 2HA GLY 68 19.669 -6.577 10.825 543 HA3 GLY 68 1HA GLY 68 20.683 -5.216 10.338 544 H ARG 69 H ARG 69 17.797 -5.430 8.667 545 HA ARG 69 HA ARG 69 16.420 -3.434 10.371 546 HB2 ARG 69 2HB ARG 69 16.494 -3.545 7.343 547 HB3 ARG 69 1HB ARG 69 15.700 -2.331 8.340 548 HG2 ARG 69 2HG ARG 69 18.705 -2.821 8.341 549 HG3 ARG 69 1HG ARG 69 17.906 -1.557 7.419 550 HD2 ARG 69 2HD ARG 69 16.896 -0.712 9.566 551 HD3 ARG 69 1HD ARG 69 17.891 -1.922 10.382 552 HE ARG 69 HE ARG 69 19.355 -0.073 8.659 553 HH11 ARG 69 1HH2 ARG 69 18.169 -0.756 11.856 554 HH12 ARG 69 2HH2 ARG 69 19.397 0.160 12.646 555 HH21 ARG 69 1HH1 ARG 69 20.993 1.140 9.736 556 HH22 ARG 69 2HH1 ARG 69 20.995 1.227 11.448 557 H THR 70 H THR 70 14.307 -3.998 10.741 558 HA THR 70 HA THR 70 13.309 -6.513 9.799 559 HB THR 70 HB THR 70 11.604 -4.273 10.847 560 HG1 THR 70 1HG THR 70 12.298 -4.582 12.763 561 HG21 THR 70 3HG2 THR 70 11.392 -7.283 10.829 562 HG22 THR 70 1HG2 THR 70 10.293 -6.098 10.125 563 HG23 THR 70 2HG2 THR 70 10.392 -6.272 11.868 564 H HIS 71 H HIS 71 12.367 -6.873 7.864 565 HA HIS 71 HA HIS 71 11.855 -4.577 6.117 566 HB2 HIS 71 2HB HIS 71 13.037 -6.890 5.531 567 HB3 HIS 71 1HB HIS 71 11.375 -7.378 5.223 568 HD1 HIS 71 1HD HIS 71 14.156 -6.071 3.451 569 HD2 HIS 71 2HD HIS 71 10.074 -5.102 3.411 570 HE1 HIS 71 1HE HIS 71 13.704 -4.843 1.277 571 HE2 HIS 71 2HE HIS 71 11.231 -4.300 1.214 572 H HIS 72 H HIS 72 9.894 -3.788 5.758 573 HA HIS 72 HA HIS 72 7.543 -5.302 6.698 574 HB2 HIS 72 2HB HIS 72 8.152 -2.370 6.403 575 HB3 HIS 72 1HB HIS 72 6.488 -2.906 6.278 576 HD1 HIS 72 1HD HIS 72 5.274 -3.137 8.449 577 HD2 HIS 72 2HD HIS 72 9.426 -3.274 8.934 578 HE1 HIS 72 1HE HIS 72 5.708 -3.150 10.946 579 HE2 HIS 72 2HE HIS 72 8.256 -3.261 11.269 580 H TYR 73 H TYR 73 6.914 -6.508 4.936 581 HA TYR 73 HA TYR 73 6.550 -5.128 2.345 582 HB2 TYR 73 2HB TYR 73 6.281 -8.079 3.021 583 HB3 TYR 73 1HB TYR 73 6.080 -7.366 1.453 584 HD1 TYR 73 1HD TYR 73 8.590 -8.181 4.075 585 HD2 TYR 73 2HD TYR 73 7.974 -6.680 0.078 586 HE1 TYR 73 1HE TYR 73 10.979 -8.432 3.598 587 HE2 TYR 73 2HE TYR 73 10.378 -6.932 -0.374 588 HH TYR 73 HH TYR 73 12.604 -7.117 1.809 589 H MET 74 H MET 74 4.604 -4.042 2.603 590 HA MET 74 HA MET 74 2.355 -5.592 3.737 591 HB2 MET 74 2HB MET 74 3.018 -3.991 5.366 592 HB3 MET 74 1HB MET 74 3.096 -2.689 4.194 593 HG2 MET 74 2HG MET 74 0.620 -2.901 3.856 594 HG3 MET 74 1HG MET 74 0.588 -4.181 5.065 595 HE1 MET 74 3HE MET 74 2.650 -0.540 5.176 596 HE2 MET 74 1HE MET 74 1.091 0.269 5.421 597 HE3 MET 74 2HE MET 74 1.338 -0.776 4.032 598 H ARG 75 H ARG 75 0.583 -5.774 2.566 599 HA ARG 75 HA ARG 75 0.036 -3.737 0.555 600 HB2 ARG 75 2HB ARG 75 -0.377 -6.709 0.257 601 HB3 ARG 75 1HB ARG 75 -1.333 -5.548 -0.656 602 HG2 ARG 75 2HG ARG 75 0.711 -4.615 -1.558 603 HG3 ARG 75 1HG ARG 75 1.677 -5.823 -0.677 604 HD2 ARG 75 2HD ARG 75 0.495 -7.638 -1.794 605 HD3 ARG 75 1HD ARG 75 -0.532 -6.522 -2.645 606 HE ARG 75 HE ARG 75 2.256 -7.173 -3.232 607 HH11 ARG 75 1HH2 ARG 75 -0.422 -4.977 -3.793 608 HH12 ARG 75 2HH2 ARG 75 0.094 -4.507 -5.360 609 HH21 ARG 75 1HH1 ARG 75 2.926 -6.538 -5.351 610 HH22 ARG 75 2HH1 ARG 75 2.007 -5.400 -6.237 611 H PHE 76 H PHE 76 -2.071 -3.140 0.303 612 HA PHE 76 HA PHE 76 -4.124 -4.477 1.746 613 HB2 PHE 76 2HB PHE 76 -4.977 -2.489 2.946 614 HB3 PHE 76 1HB PHE 76 -3.431 -3.047 3.553 615 HD1 PHE 76 1HD PHE 76 -5.152 -0.379 1.654 616 HD2 PHE 76 2HD PHE 76 -1.388 -1.756 3.210 617 HE1 PHE 76 1HE PHE 76 -4.162 1.867 1.275 618 HE2 PHE 76 2HE PHE 76 -0.411 0.475 2.825 619 HZ PHE 76 HZ PHE 76 -1.800 2.290 1.861 620 H HIS 77 H HIS 77 -6.295 -3.610 1.225 621 HA HIS 77 HA HIS 77 -6.256 -2.624 -1.543 622 HB2 HIS 77 2HB HIS 77 -8.067 -4.517 -0.058 623 HB3 HIS 77 1HB HIS 77 -8.615 -3.676 -1.497 624 HD1 HIS 77 1HD HIS 77 -5.980 -6.166 -0.387 625 HD2 HIS 77 2HD HIS 77 -7.549 -4.612 -3.929 626 HE1 HIS 77 1HE HIS 77 -5.018 -7.560 -2.287 627 HE2 HIS 77 2HE HIS 77 -5.960 -6.617 -4.442 628 H VAL 78 H VAL 78 -7.658 -1.024 -2.150 629 HA VAL 78 HA VAL 78 -9.223 0.202 -0.005 630 HB VAL 78 HB VAL 78 -8.503 2.386 -0.488 631 HG11 VAL 78 1HG1 VAL 78 -5.948 0.805 -0.856 632 HG12 VAL 78 2HG1 VAL 78 -6.790 0.883 0.696 633 HG13 VAL 78 3HG1 VAL 78 -6.157 2.351 -0.049 634 HG21 VAL 78 3HG2 VAL 78 -8.478 2.591 -2.834 635 HG22 VAL 78 1HG2 VAL 78 -7.446 1.175 -3.047 636 HG23 VAL 78 2HG2 VAL 78 -6.775 2.697 -2.445 637 H GLU 79 H GLU 79 -10.940 1.468 -0.722 638 HA GLU 79 HA GLU 79 -11.928 0.737 -3.406 639 HB2 GLU 79 2HB GLU 79 -13.420 1.514 -0.903 640 HB3 GLU 79 1HB GLU 79 -14.169 1.381 -2.487 641 HG2 GLU 79 2HG GLU 79 -13.674 -0.889 -2.699 642 HG3 GLU 79 1HG GLU 79 -12.605 -0.975 -1.329 643 H SER 80 H SER 80 -11.731 2.278 -4.804 644 HA SER 80 HA SER 80 -11.288 5.031 -3.965 645 HB2 SER 80 2HB SER 80 -11.519 4.320 -6.850 646 HB3 SER 80 1HB SER 80 -10.360 5.315 -5.994 647 HG SER 80 HG SER 80 -10.533 2.493 -6.033 648 H LYS 81 H LYS 81 -12.499 6.555 -5.785 649 HA LYS 81 HA LYS 81 -15.192 6.522 -4.875 650 HB2 LYS 81 2HB LYS 81 -14.173 7.901 -7.389 651 HB3 LYS 81 1HB LYS 81 -15.587 8.265 -6.442 652 HG2 LYS 81 2HG LYS 81 -12.735 8.600 -5.493 653 HG3 LYS 81 1HG LYS 81 -13.812 9.888 -6.030 654 HD2 LYS 81 2HD LYS 81 -15.285 8.685 -3.991 655 HD3 LYS 81 1HD LYS 81 -13.656 8.466 -3.458 656 HE2 LYS 81 2HE LYS 81 -13.255 11.034 -4.094 657 HE3 LYS 81 1HE LYS 81 -15.013 11.054 -4.032 658 HZ1 LYS 81 3HZ LYS 81 -13.291 10.353 -1.655 659 HZ2 LYS 81 1HZ LYS 81 -14.993 10.524 -1.709 660 HZ3 LYS 81 2HZ LYS 81 -13.967 11.780 -2.081 661 H LYS 82 H LYS 82 -13.527 5.277 -7.692 662 HA LYS 82 HA LYS 82 -16.058 4.109 -8.718 663 HB2 LYS 82 2HB LYS 82 -13.793 5.254 -10.358 664 HB3 LYS 82 1HB LYS 82 -15.333 4.652 -10.964 665 HG2 LYS 82 2HG LYS 82 -15.196 6.925 -8.945 666 HG3 LYS 82 1HG LYS 82 -15.156 7.188 -10.682 667 HD2 LYS 82 2HD LYS 82 -17.353 6.535 -10.996 668 HD3 LYS 82 1HD LYS 82 -17.342 5.419 -9.642 669 HE2 LYS 82 2HE LYS 82 -18.737 7.530 -9.319 670 HE3 LYS 82 1HE LYS 82 -17.557 7.150 -8.070 671 HZ1 LYS 82 3HZ LYS 82 -17.152 9.264 -8.359 672 HZ2 LYS 82 1HZ LYS 82 -17.545 9.368 -9.987 673 HZ3 LYS 82 2HZ LYS 82 -16.044 8.746 -9.559 674 H LYS 83 H LYS 83 -12.919 3.380 -7.661 675 HA LYS 83 HA LYS 83 -13.064 0.728 -8.877 676 HB2 LYS 83 2HB LYS 83 -10.583 2.473 -8.978 677 HB3 LYS 83 1HB LYS 83 -10.702 0.759 -9.409 678 HG2 LYS 83 2HG LYS 83 -12.389 2.908 -10.734 679 HG3 LYS 83 1HG LYS 83 -10.869 2.336 -11.389 680 HD2 LYS 83 2HD LYS 83 -11.654 0.183 -11.798 681 HD3 LYS 83 1HD LYS 83 -13.027 0.300 -10.723 682 HE2 LYS 83 2HE LYS 83 -13.008 2.315 -12.891 683 HE3 LYS 83 1HE LYS 83 -13.148 0.646 -13.436 684 HZ1 LYS 83 3HZ LYS 83 -14.771 1.615 -11.181 685 HZ2 LYS 83 1HZ LYS 83 -15.089 0.335 -12.246 686 HZ3 LYS 83 2HZ LYS 83 -15.251 1.951 -12.764 687 H ILE 84 H ILE 84 -11.707 -0.851 -7.860 688 HA ILE 84 HA ILE 84 -11.176 -0.246 -5.014 689 HB ILE 84 HB ILE 84 -11.474 -2.922 -6.419 690 HG12 ILE 84 2HG1 ILE 84 -13.455 -1.629 -4.525 691 HG13 ILE 84 1HG1 ILE 84 -13.563 -1.403 -6.260 692 HG21 ILE 84 1HG2 ILE 84 -11.673 -3.782 -4.111 693 HG22 ILE 84 2HG2 ILE 84 -11.339 -2.172 -3.483 694 HG23 ILE 84 3HG2 ILE 84 -10.098 -3.041 -4.381 695 HD11 ILE 84 3HD1 ILE 84 -14.944 -3.319 -5.417 696 HD12 ILE 84 1HD1 ILE 84 -13.421 -4.157 -5.017 697 HD13 ILE 84 2HD1 ILE 84 -13.772 -3.685 -6.679 698 H ALA 85 H ALA 85 -9.083 -0.054 -4.490 699 HA ALA 85 HA ALA 85 -7.096 -0.949 -6.492 700 HB1 ALA 85 1HB ALA 85 -6.273 1.099 -6.548 701 HB2 ALA 85 2HB ALA 85 -6.092 1.150 -4.794 702 HB3 ALA 85 3HB ALA 85 -7.609 1.644 -5.544 703 H LEU 86 H LEU 86 -5.025 -1.480 -5.774 704 HA LEU 86 HA LEU 86 -4.930 -2.589 -3.048 705 HB2 LEU 86 2HB LEU 86 -4.945 -4.412 -4.546 706 HB3 LEU 86 1HB LEU 86 -3.881 -3.629 -5.680 707 HG LEU 86 HG LEU 86 -2.033 -3.744 -3.982 708 HD11 LEU 86 1HD1 LEU 86 -3.013 -5.775 -2.256 709 HD12 LEU 86 2HD1 LEU 86 -4.230 -4.506 -2.251 710 HD13 LEU 86 3HD1 LEU 86 -2.566 -4.127 -1.848 711 HD21 LEU 86 3HD2 LEU 86 -2.046 -6.428 -4.016 712 HD22 LEU 86 1HD2 LEU 86 -1.867 -5.500 -5.505 713 HD23 LEU 86 2HD2 LEU 86 -3.423 -6.171 -5.068 714 H VAL 87 H VAL 87 -3.315 -1.874 -1.775 715 HA VAL 87 HA VAL 87 -1.261 -0.140 -3.029 716 HB VAL 87 HB VAL 87 -2.517 -0.049 -0.288 717 HG11 VAL 87 1HG1 VAL 87 -0.309 0.583 0.126 718 HG12 VAL 87 2HG1 VAL 87 -1.098 2.129 -0.205 719 HG13 VAL 87 3HG1 VAL 87 -0.130 1.354 -1.451 720 HG21 VAL 87 3HG2 VAL 87 -3.615 1.903 -0.965 721 HG22 VAL 87 1HG2 VAL 87 -3.686 0.946 -2.442 722 HG23 VAL 87 2HG2 VAL 87 -2.478 2.224 -2.261 723 H HIS 88 H HIS 88 0.815 -0.689 -2.737 724 HA HIS 88 HA HIS 88 1.426 -2.807 -0.768 725 HB2 HIS 88 2HB HIS 88 1.411 -3.717 -3.030 726 HB3 HIS 88 1HB HIS 88 2.613 -2.503 -3.531 727 HD1 HIS 88 1HD HIS 88 4.194 -4.605 -4.081 728 HD2 HIS 88 2HD HIS 88 3.271 -4.121 -0.037 729 HE1 HIS 88 1HE HIS 88 5.841 -6.030 -2.768 730 HE2 HIS 88 2HE HIS 88 5.268 -5.759 -0.321 731 H LEU 89 H LEU 89 2.861 -2.237 0.678 732 HA LEU 89 HA LEU 89 4.754 -0.080 0.016 733 HB2 LEU 89 2HB LEU 89 2.934 0.624 1.579 734 HB3 LEU 89 1HB LEU 89 3.496 -0.597 2.714 735 HG LEU 89 HG LEU 89 5.592 1.257 1.657 736 HD11 LEU 89 1HD1 LEU 89 4.934 3.152 2.697 737 HD12 LEU 89 2HD1 LEU 89 4.091 2.305 3.987 738 HD13 LEU 89 3HD1 LEU 89 3.317 2.520 2.415 739 HD21 LEU 89 3HD2 LEU 89 6.659 0.669 3.547 740 HD22 LEU 89 1HD2 LEU 89 5.537 -0.690 3.600 741 HD23 LEU 89 2HD2 LEU 89 5.216 0.762 4.548 742 H GLU 90 H GLU 90 6.833 -0.461 0.351 743 HA GLU 90 HA GLU 90 7.573 -2.755 2.012 744 HB2 GLU 90 2HB GLU 90 8.630 -1.849 -0.578 745 HB3 GLU 90 1HB GLU 90 9.861 -2.193 0.627 746 HG2 GLU 90 2HG GLU 90 8.676 -4.397 1.057 747 HG3 GLU 90 1HG GLU 90 7.701 -4.074 -0.369 748 H ALA 91 H ALA 91 8.180 -2.081 3.889 749 HA ALA 91 HA ALA 91 9.813 0.379 4.108 750 HB1 ALA 91 1HB ALA 91 7.304 -0.148 5.365 751 HB2 ALA 91 2HB ALA 91 8.395 1.209 5.654 752 HB3 ALA 91 3HB ALA 91 8.545 -0.252 6.599 753 H LYS 92 H LYS 92 11.218 0.341 6.005 754 HA LYS 92 HA LYS 92 11.743 -2.335 6.969 755 HB2 LYS 92 2HB LYS 92 14.150 -2.146 6.792 756 HB3 LYS 92 1HB LYS 92 13.412 -2.037 5.198 757 HG2 LYS 92 2HG LYS 92 13.656 0.405 5.204 758 HG3 LYS 92 1HG LYS 92 14.269 0.375 6.856 759 HD2 LYS 92 2HD LYS 92 16.174 -1.039 6.106 760 HD3 LYS 92 1HD LYS 92 15.639 -0.876 4.444 761 HE2 LYS 92 2HE LYS 92 16.293 1.475 6.238 762 HE3 LYS 92 1HE LYS 92 17.442 0.754 5.116 763 HZ1 LYS 92 3HZ LYS 92 16.340 2.652 4.157 764 HZ2 LYS 92 1HZ LYS 92 14.817 1.986 4.358 765 HZ3 LYS 92 2HZ LYS 92 15.938 1.289 3.287 766 H GLU 93 H GLU 93 12.343 -2.440 9.084 767 HA GLU 93 HA GLU 93 11.977 0.011 10.630 768 HB2 GLU 93 2HB GLU 93 12.695 -2.793 11.528 769 HB3 GLU 93 1HB GLU 93 12.337 -1.430 12.565 770 HG2 GLU 93 2HG GLU 93 10.042 -1.243 11.723 771 HG3 GLU 93 1HG GLU 93 10.369 -2.494 10.521 772 H SER 94 H SER 94 13.604 1.342 11.178 773 HA SER 94 HA SER 94 16.218 0.819 10.351 774 HB2 SER 94 2HB SER 94 15.707 2.832 12.500 775 HB3 SER 94 1HB SER 94 16.684 2.929 11.044 776 HG SER 94 HG SER 94 14.726 3.044 9.830 777 H LYS 95 H LYS 95 15.695 1.682 13.741 778 HA LYS 95 HA LYS 95 16.408 -0.953 14.632 779 HB2 LYS 95 2HB LYS 95 18.570 0.733 14.298 780 HB3 LYS 95 1HB LYS 95 18.133 1.051 15.956 781 HG2 LYS 95 2HG LYS 95 19.631 -0.769 16.084 782 HG3 LYS 95 1HG LYS 95 18.036 -1.475 16.340 783 HD2 LYS 95 2HD LYS 95 18.383 -1.512 13.547 784 HD3 LYS 95 1HD LYS 95 19.959 -1.985 14.179 785 HE2 LYS 95 2HE LYS 95 17.293 -3.233 14.888 786 HE3 LYS 95 1HE LYS 95 18.514 -3.951 13.837 787 HZ1 LYS 95 3HZ LYS 95 18.427 -4.642 16.270 788 HZ2 LYS 95 1HZ LYS 95 19.189 -3.170 16.620 789 HZ3 LYS 95 2HZ LYS 95 19.927 -4.310 15.589 790 H GLN 96 H GLN 96 16.528 2.281 15.999 791 HA GLN 96 HA GLN 96 14.395 1.518 17.892 792 HB2 GLN 96 2HB GLN 96 16.737 3.401 18.305 793 HB3 GLN 96 1HB GLN 96 15.423 3.150 19.447 794 HG2 GLN 96 2HG GLN 96 16.300 1.218 20.212 795 HG3 GLN 96 1HG GLN 96 16.542 0.579 18.599 796 HE21 GLN 96 1HE2 GLN 96 18.405 2.039 17.425 797 HE22 GLN 96 2HE2 GLN 96 19.829 2.147 18.326 798 H ASN 97 H ASN 97 14.643 2.926 15.152 799 HA ASN 97 HA ASN 97 13.677 5.569 15.571 800 HB2 ASN 97 2HB ASN 97 14.642 4.769 13.398 801 HB3 ASN 97 1HB ASN 97 13.137 3.888 13.124 802 HD21 ASN 97 1HD2 ASN 97 12.102 5.183 11.526 803 HD22 ASN 97 2HD2 ASN 97 11.788 6.829 11.741 804 H TYR 98 H TYR 98 11.630 6.387 15.315 805 HA TYR 98 HA TYR 98 9.647 5.040 16.774 806 HB2 TYR 98 2HB TYR 98 9.342 7.434 14.944 807 HB3 TYR 98 1HB TYR 98 8.227 6.952 16.217 808 HD1 TYR 98 1HD TYR 98 11.572 8.314 15.494 809 HD2 TYR 98 2HD TYR 98 8.797 7.201 18.586 810 HE1 TYR 98 1HE TYR 98 12.958 9.473 17.158 811 HE2 TYR 98 2HE TYR 98 10.188 8.364 20.249 812 HH TYR 98 HH TYR 98 11.983 10.419 20.050 813 H GLN 99 H GLN 99 9.844 5.739 13.278 814 HA GLN 99 HA GLN 99 7.864 3.602 12.829 815 HB2 GLN 99 2HB GLN 99 8.270 5.722 10.770 816 HB3 GLN 99 1HB GLN 99 6.819 4.807 11.125 817 HG2 GLN 99 2HG GLN 99 7.731 6.623 13.336 818 HG3 GLN 99 1HG GLN 99 7.206 7.397 11.858 819 HE21 GLN 99 1HE2 GLN 99 5.802 4.295 12.840 820 HE22 GLN 99 2HE2 GLN 99 4.286 4.964 13.252 821 HA PRO 100 HA PRO 100 10.944 1.611 10.290 822 HB2 PRO 100 2HB PRO 100 8.976 0.856 8.310 823 HB3 PRO 100 1HB PRO 100 9.822 -0.173 9.474 824 HG2 PRO 100 2HG PRO 100 7.206 1.002 9.557 825 HG3 PRO 100 1HG PRO 100 7.824 -0.354 10.547 826 HD2 PRO 100 2HD PRO 100 7.224 2.089 11.578 827 HD3 PRO 100 1HD PRO 100 8.580 1.136 12.238 828 H ASP 101 H ASP 101 12.043 2.019 8.323 829 HA ASP 101 HA ASP 101 11.503 4.552 7.029 830 HB2 ASP 101 2HB ASP 101 13.503 2.351 6.480 831 HB3 ASP 101 1HB ASP 101 13.437 3.852 5.573 832 H PHE 102 H PHE 102 10.547 4.828 5.007 833 HA PHE 102 HA PHE 102 9.234 2.480 3.839 834 HB2 PHE 102 2HB PHE 102 9.086 5.390 2.946 835 HB3 PHE 102 1HB PHE 102 8.118 4.056 2.365 836 HD1 PHE 102 1HD PHE 102 6.814 2.692 4.240 837 HD2 PHE 102 2HD PHE 102 8.231 6.728 4.663 838 HE1 PHE 102 1HE PHE 102 5.155 3.082 6.010 839 HE2 PHE 102 2HE PHE 102 6.564 7.122 6.448 840 HZ PHE 102 HZ PHE 102 5.021 5.312 7.133 841 H ILE 103 H ILE 103 10.488 1.295 2.480 842 HA ILE 103 HA ILE 103 12.653 2.571 1.029 843 HB ILE 103 HB ILE 103 11.611 -0.276 0.827 844 HG12 ILE 103 2HG1 ILE 103 14.052 0.763 2.332 845 HG13 ILE 103 1HG1 ILE 103 12.514 0.418 3.111 846 HG21 ILE 103 1HG2 ILE 103 14.130 -0.481 0.026 847 HG22 ILE 103 2HG2 ILE 103 13.947 1.218 -0.375 848 HG23 ILE 103 3HG2 ILE 103 12.881 0.019 -1.102 849 HD11 ILE 103 3HD1 ILE 103 13.564 -1.754 1.378 850 HD12 ILE 103 1HD1 ILE 103 12.769 -1.830 2.947 851 HD13 ILE 103 2HD1 ILE 103 14.482 -1.429 2.836 852 H ASN 104 H ASN 104 9.650 0.857 0.251 853 HA ASN 104 HA ASN 104 9.285 2.550 -2.110 854 HB2 ASN 104 2HB ASN 104 10.292 0.869 -3.215 855 HB3 ASN 104 1HB ASN 104 9.639 -0.436 -2.198 856 HD21 ASN 104 1HD2 ASN 104 8.475 2.199 -4.377 857 HD22 ASN 104 2HD2 ASN 104 7.270 1.248 -5.113 858 H MET 105 H MET 105 7.097 2.597 -2.811 859 HA MET 105 HA MET 105 5.166 0.903 -1.694 860 HB2 MET 105 2HB MET 105 4.257 2.082 0.019 861 HB3 MET 105 1HB MET 105 5.761 2.980 0.031 862 HG2 MET 105 2HG MET 105 4.046 4.607 -0.032 863 HG3 MET 105 1HG MET 105 4.673 4.532 -1.667 864 HE1 MET 105 3HE MET 105 0.731 3.129 0.073 865 HE2 MET 105 1HE MET 105 2.262 3.501 0.882 866 HE3 MET 105 2HE MET 105 1.989 1.916 0.163 867 H TYR 106 H TYR 106 3.484 0.732 -3.035 868 HA TYR 106 HA TYR 106 2.951 2.880 -4.923 869 HB2 TYR 106 2HB TYR 106 3.148 1.394 -6.876 870 HB3 TYR 106 1HB TYR 106 4.691 1.589 -6.060 871 HD1 TYR 106 2HD TYR 106 5.627 -0.251 -4.686 872 HD2 TYR 106 1HD TYR 106 1.968 -0.723 -6.901 873 HE1 TYR 106 2HE TYR 106 5.790 -2.695 -4.449 874 HE2 TYR 106 1HE TYR 106 2.139 -3.151 -6.667 875 HH TYR 106 HH TYR 106 4.554 -4.772 -6.206 876 H VAL 107 H VAL 107 1.105 2.417 -6.325 877 HA VAL 107 HA VAL 107 -0.903 0.876 -4.811 878 HB VAL 107 HB VAL 107 -0.948 3.506 -4.969 879 HG11 VAL 107 1HG1 VAL 107 -1.948 4.469 -6.863 880 HG12 VAL 107 2HG1 VAL 107 -2.467 2.897 -7.469 881 HG13 VAL 107 3HG1 VAL 107 -0.761 3.322 -7.500 882 HG21 VAL 107 3HG2 VAL 107 -3.112 3.367 -4.290 883 HG22 VAL 107 1HG2 VAL 107 -2.840 1.628 -4.350 884 HG23 VAL 107 2HG2 VAL 107 -3.625 2.442 -5.701 885 H ASP 108 H ASP 108 -1.992 -0.639 -5.842 886 HA ASP 108 HA ASP 108 -1.676 -0.958 -8.754 887 HB2 ASP 108 2HB ASP 108 -2.394 -2.878 -6.546 888 HB3 ASP 108 1HB ASP 108 -2.502 -3.325 -8.248 889 H VAL 109 H VAL 109 -3.370 -0.002 -9.770 890 HA VAL 109 HA VAL 109 -6.070 -0.385 -8.637 891 HB VAL 109 HB VAL 109 -5.380 1.922 -10.434 892 HG11 VAL 109 1HG1 VAL 109 -7.532 1.341 -8.403 893 HG12 VAL 109 2HG1 VAL 109 -7.690 1.680 -10.140 894 HG13 VAL 109 3HG1 VAL 109 -7.227 2.963 -9.036 895 HG21 VAL 109 3HG2 VAL 109 -3.909 2.616 -8.839 896 HG22 VAL 109 1HG2 VAL 109 -4.548 1.536 -7.601 897 HG23 VAL 109 2HG2 VAL 109 -5.356 3.064 -7.949 898 HA PRO 110 HA PRO 110 -6.610 -2.820 -12.313 899 HB2 PRO 110 2HB PRO 110 -9.321 -2.764 -12.495 900 HB3 PRO 110 1HB PRO 110 -8.436 -3.779 -11.339 901 HG2 PRO 110 2HG PRO 110 -9.815 -1.172 -10.861 902 HG3 PRO 110 1HG PRO 110 -9.738 -2.614 -9.831 903 HD2 PRO 110 2HD PRO 110 -8.228 -0.417 -9.398 904 HD3 PRO 110 1HD PRO 110 -7.695 -2.043 -8.942 905 H GLY 111 H GLY 111 -6.142 -1.950 -14.265 906 HA2 GLY 111 2HA GLY 111 -6.777 -0.953 -16.307 907 HA3 GLY 111 1HA GLY 111 -7.941 0.038 -15.449 908 H GLU 112 H GLU 112 -5.420 0.399 -13.491 909 HA GLU 112 HA GLU 112 -4.354 2.719 -14.988 910 HB2 GLU 112 2HB GLU 112 -4.598 2.326 -12.018 911 HB3 GLU 112 1HB GLU 112 -3.969 3.742 -12.833 912 HG2 GLU 112 2HG GLU 112 -6.825 2.712 -13.188 913 HG3 GLU 112 1HG GLU 112 -6.378 4.026 -12.112 914 H LYS 113 H LYS 113 -2.081 3.099 -14.941 915 HA LYS 113 HA LYS 113 -0.414 0.862 -14.635 916 HB2 LYS 113 2HB LYS 113 0.444 3.762 -14.522 917 HB3 LYS 113 1HB LYS 113 1.382 2.346 -15.007 918 HG2 LYS 113 2HG LYS 113 -1.020 3.484 -16.460 919 HG3 LYS 113 1HG LYS 113 0.663 3.569 -16.977 920 HD2 LYS 113 2HD LYS 113 0.599 0.981 -16.734 921 HD3 LYS 113 1HD LYS 113 -1.126 1.158 -16.819 922 HE2 LYS 113 2HE LYS 113 0.585 1.026 -19.019 923 HE3 LYS 113 1HE LYS 113 -1.124 1.461 -19.046 924 HZ1 LYS 113 3HZ LYS 113 0.192 3.196 -20.101 925 HZ2 LYS 113 1HZ LYS 113 1.171 3.373 -18.763 926 HZ3 LYS 113 2HZ LYS 113 -0.453 3.824 -18.693 927 H ARG 114 H ARG 114 0.813 0.213 -12.974 928 HA ARG 114 HA ARG 114 0.095 0.755 -10.332 929 HB2 ARG 114 2HB ARG 114 2.061 -0.496 -9.702 930 HB3 ARG 114 1HB ARG 114 1.348 -1.248 -11.124 931 HG2 ARG 114 2HG ARG 114 2.972 0.215 -12.510 932 HG3 ARG 114 1HG ARG 114 3.821 0.506 -11.005 933 HD2 ARG 114 2HD ARG 114 3.928 -2.062 -10.719 934 HD3 ARG 114 1HD ARG 114 3.323 -2.099 -12.371 935 HE ARG 114 HE ARG 114 6.018 -1.530 -11.580 936 HH11 ARG 114 1HH2 ARG 114 3.549 -0.805 -13.931 937 HH12 ARG 114 2HH2 ARG 114 4.636 -0.462 -15.195 938 HH21 ARG 114 1HH1 ARG 114 7.503 -1.077 -13.273 939 HH22 ARG 114 2HH1 ARG 114 6.930 -0.643 -14.820 940 H TYR 115 H TYR 115 0.347 2.586 -9.223 941 HA TYR 115 HA TYR 115 2.371 4.509 -10.115 942 HB2 TYR 115 2HB TYR 115 0.110 5.317 -9.895 943 HB3 TYR 115 1HB TYR 115 0.063 4.877 -8.193 944 HD1 TYR 115 1HD TYR 115 1.507 7.195 -10.683 945 HD2 TYR 115 2HD TYR 115 1.303 6.124 -6.529 946 HE1 TYR 115 1HE TYR 115 2.556 9.353 -10.063 947 HE2 TYR 115 2HE TYR 115 2.357 8.276 -5.926 948 HH TYR 115 HH TYR 115 2.669 10.815 -8.149 949 H TYR 116 H TYR 116 4.151 4.891 -9.026 950 HA TYR 116 HA TYR 116 4.589 3.537 -6.468 951 HB2 TYR 116 2HB TYR 116 6.379 4.713 -8.575 952 HB3 TYR 116 1HB TYR 116 6.941 4.523 -6.917 953 HD1 TYR 116 1HD TYR 116 4.897 2.422 -9.302 954 HD2 TYR 116 2HD TYR 116 8.199 2.642 -6.564 955 HE1 TYR 116 1HE TYR 116 5.396 0.035 -9.708 956 HE2 TYR 116 2HE TYR 116 8.692 0.249 -6.965 957 HH TYR 116 HH TYR 116 6.676 -1.860 -8.156 958 H LEU 117 H LEU 117 3.660 4.748 -4.921 959 HA LEU 117 HA LEU 117 3.796 7.590 -4.733 960 HB2 LEU 117 2HB LEU 117 2.112 6.337 -3.518 961 HB3 LEU 117 1HB LEU 117 3.339 5.454 -2.630 962 HG LEU 117 HG LEU 117 4.129 7.643 -1.652 963 HD11 LEU 117 1HD1 LEU 117 2.517 9.553 -1.865 964 HD12 LEU 117 2HD1 LEU 117 1.786 8.695 -3.220 965 HD13 LEU 117 3HD1 LEU 117 3.481 9.215 -3.303 966 HD21 LEU 117 3HD2 LEU 117 2.004 6.089 -0.870 967 HD22 LEU 117 1HD2 LEU 117 1.243 7.679 -0.990 968 HD23 LEU 117 2HD2 LEU 117 2.657 7.434 0.040 969 H ILE 118 H ILE 118 5.710 4.917 -3.460 970 HA ILE 118 HA ILE 118 7.845 6.848 -2.782 971 HB ILE 118 HB ILE 118 7.095 4.297 -1.329 972 HG12 ILE 118 2HG1 ILE 118 7.047 7.180 -0.353 973 HG13 ILE 118 1HG1 ILE 118 5.624 6.335 -0.927 974 HG21 ILE 118 1HG2 ILE 118 8.853 5.122 0.306 975 HG22 ILE 118 2HG2 ILE 118 9.361 6.271 -0.909 976 HG23 ILE 118 3HG2 ILE 118 9.511 4.539 -1.218 977 HD11 ILE 118 3HD1 ILE 118 6.979 6.152 1.638 978 HD12 ILE 118 1HD1 ILE 118 6.738 4.565 0.920 979 HD13 ILE 118 2HD1 ILE 118 5.362 5.636 1.202 980 H LYS 119 H LYS 119 9.676 6.562 -3.872 981 HA LYS 119 HA LYS 119 9.933 4.239 -5.587 982 HB2 LYS 119 2HB LYS 119 11.919 6.489 -5.442 983 HB3 LYS 119 1HB LYS 119 11.552 5.450 -6.805 984 HG2 LYS 119 2HG LYS 119 9.649 7.523 -5.631 985 HG3 LYS 119 1HG LYS 119 10.591 7.720 -7.102 986 HD2 LYS 119 2HD LYS 119 9.428 5.562 -7.950 987 HD3 LYS 119 1HD LYS 119 8.307 5.815 -6.602 988 HE2 LYS 119 2HE LYS 119 8.672 7.447 -9.091 989 HE3 LYS 119 1HE LYS 119 7.197 6.976 -8.277 990 HZ1 LYS 119 3HZ LYS 119 8.128 8.540 -6.389 991 HZ2 LYS 119 1HZ LYS 119 7.352 9.192 -7.709 992 HZ3 LYS 119 2HZ LYS 119 8.995 9.219 -7.663 993 HA PRO 120 HA PRO 120 12.877 2.351 -2.678 994 HB2 PRO 120 2HB PRO 120 13.512 0.264 -4.198 995 HB3 PRO 120 1HB PRO 120 12.014 0.251 -3.307 996 HG2 PRO 120 2HG PRO 120 12.512 0.680 -6.176 997 HG3 PRO 120 1HG PRO 120 11.065 0.033 -5.387 998 HD2 PRO 120 2HD PRO 120 11.339 2.614 -6.430 999 HD3 PRO 120 1HD PRO 120 10.068 2.094 -5.304 1000 H LYS 121 H LYS 121 15.146 1.914 -2.778 1001 HA LYS 121 HA LYS 121 16.555 3.762 -4.435 1002 HB2 LYS 121 2HB LYS 121 18.211 1.692 -3.155 1003 HB3 LYS 121 1HB LYS 121 18.283 3.435 -2.987 1004 HG2 LYS 121 2HG LYS 121 16.460 1.498 -1.541 1005 HG3 LYS 121 1HG LYS 121 17.699 2.465 -0.811 1006 HD2 LYS 121 2HD LYS 121 15.674 4.142 -2.266 1007 HD3 LYS 121 1HD LYS 121 14.998 3.172 -0.997 1008 HE2 LYS 121 2HE LYS 121 16.157 5.610 -0.607 1009 HE3 LYS 121 1HE LYS 121 15.924 4.396 0.642 1010 HZ1 LYS 121 3HZ LYS 121 18.118 3.878 0.655 1011 HZ2 LYS 121 1HZ LYS 121 18.274 5.442 0.117 1012 HZ3 LYS 121 2HZ LYS 121 18.386 4.177 -0.970 1013 H LEU 122 H LEU 122 15.625 2.878 -6.396 1014 HA LEU 122 HA LEU 122 16.065 0.313 -7.384 1015 HB2 LEU 122 2HB LEU 122 15.714 2.913 -8.879 1016 HB3 LEU 122 1HB LEU 122 15.678 1.335 -9.651 1017 HG LEU 122 HG LEU 122 13.823 2.145 -7.377 1018 HD11 LEU 122 1HD1 LEU 122 12.085 2.371 -9.080 1019 HD12 LEU 122 2HD1 LEU 122 13.254 2.043 -10.351 1020 HD13 LEU 122 3HD1 LEU 122 13.395 3.502 -9.372 1021 HD21 LEU 122 3HD2 LEU 122 14.037 -0.280 -7.496 1022 HD22 LEU 122 1HD2 LEU 122 13.900 -0.253 -9.262 1023 HD23 LEU 122 2HD2 LEU 122 12.523 0.165 -8.253 1024 H HIS 123 H HIS 123 18.036 3.226 -7.738 1025 HA HIS 123 HA HIS 123 20.121 1.580 -8.995 1026 HB2 HIS 123 2HB HIS 123 20.272 4.567 -9.028 1027 HB3 HIS 123 1HB HIS 123 20.858 3.403 -10.210 1028 HD1 HIS 123 1HD HIS 123 17.645 4.994 -8.992 1029 HD2 HIS 123 2HD HIS 123 19.022 2.776 -12.242 1030 HE1 HIS 123 1HE HIS 123 15.775 4.985 -10.708 1031 HE2 HIS 123 2HE HIS 123 16.613 3.636 -12.695 1032 HA PRO 124 HA PRO 124 22.437 2.221 -5.229 1033 HB2 PRO 124 2HB PRO 124 24.906 1.492 -6.155 1034 HB3 PRO 124 1HB PRO 124 23.619 0.329 -5.770 1035 HG2 PRO 124 2HG PRO 124 24.452 1.411 -8.413 1036 HG3 PRO 124 1HG PRO 124 24.014 -0.249 -7.973 1037 HD2 PRO 124 2HD PRO 124 22.269 1.362 -9.246 1038 HD3 PRO 124 1HD PRO 124 21.725 0.178 -8.043 1039 H VAL 125 H VAL 125 22.054 4.552 -5.384 1040 HA VAL 125 HA VAL 125 22.667 6.729 -5.409 1041 HB VAL 125 HB VAL 125 25.520 5.690 -5.478 1042 HG11 VAL 125 1HG1 VAL 125 25.755 7.864 -4.061 1043 HG12 VAL 125 2HG1 VAL 125 24.241 8.341 -4.821 1044 HG13 VAL 125 3HG1 VAL 125 25.660 7.993 -5.813 1045 HG21 VAL 125 3HG2 VAL 125 23.494 5.989 -3.257 1046 HG22 VAL 125 1HG2 VAL 125 25.222 6.090 -2.916 1047 HG23 VAL 125 2HG2 VAL 125 24.542 4.614 -3.607 1048 H SER 126 H SER 126 25.233 5.334 -7.437 1049 HA SER 126 HA SER 126 24.968 7.368 -9.432 1050 HB2 SER 126 2HB SER 126 26.223 4.652 -9.805 1051 HB3 SER 126 1HB SER 126 26.563 6.115 -10.692 1052 HG SER 126 HG SER 126 27.916 6.627 -9.233 1053 H ASN 127 H ASN 127 24.061 7.173 -11.509 1054 HA ASN 127 HA ASN 127 22.551 4.851 -12.243 1055 HB2 ASN 127 2HB ASN 127 20.335 6.093 -12.272 1056 HB3 ASN 127 1HB ASN 127 20.949 5.671 -10.683 1057 HD21 ASN 127 1HD2 ASN 127 21.817 7.395 -9.332 1058 HD22 ASN 127 2HD2 ASN 127 21.493 9.020 -9.678 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -2.675 -6.917 12.591 2 HA2 GLY 1 2HA GLY 1 -4.633 -5.849 14.143 3 HA3 GLY 1 1HA GLY 1 -3.868 -7.030 15.198 4 H ALA 2 H ALA 2 -3.746 -4.372 15.836 5 HA ALA 2 HA ALA 2 -1.370 -3.087 14.900 6 HB1 ALA 2 1HB ALA 2 -3.113 -2.578 17.325 7 HB2 ALA 2 2HB ALA 2 -3.086 -1.693 15.796 8 HB3 ALA 2 3HB ALA 2 -1.715 -1.595 16.889 9 H MET 3 H MET 3 -0.553 -5.555 15.397 10 HA MET 3 HA MET 3 0.558 -6.017 17.969 11 HB2 MET 3 2HB MET 3 1.559 -6.984 15.274 12 HB3 MET 3 1HB MET 3 1.997 -7.647 16.843 13 HG2 MET 3 2HG MET 3 -0.780 -7.638 15.615 14 HG3 MET 3 1HG MET 3 0.252 -9.033 15.862 15 HE1 MET 3 3HE MET 3 -2.979 -7.986 18.471 16 HE2 MET 3 1HE MET 3 -2.727 -8.229 16.735 17 HE3 MET 3 2HE MET 3 -2.394 -6.665 17.481 18 H GLY 4 H GLY 4 1.409 -3.988 18.580 19 HA2 GLY 4 2HA GLY 4 3.284 -2.650 18.987 20 HA3 GLY 4 1HA GLY 4 4.131 -3.441 17.659 21 H SER 5 H SER 5 0.930 -2.477 17.066 22 HA SER 5 HA SER 5 -0.008 -1.097 15.502 23 HB2 SER 5 2HB SER 5 0.826 1.395 15.934 24 HB3 SER 5 1HB SER 5 -0.243 0.543 17.017 25 HG SER 5 HG SER 5 1.634 -0.142 18.167 26 H GLY 6 H GLY 6 3.195 -1.816 15.019 27 HA2 GLY 6 2HA GLY 6 4.093 0.130 13.270 28 HA3 GLY 6 1HA GLY 6 4.600 -1.554 13.228 29 H ASP 7 H ASP 7 2.461 -2.931 12.430 30 HA ASP 7 HA ASP 7 2.241 -2.401 9.648 31 HB2 ASP 7 2HB ASP 7 1.860 -4.676 10.383 32 HB3 ASP 7 1HB ASP 7 0.502 -4.159 11.420 33 H THR 8 H THR 8 0.021 -1.820 12.328 34 HA THR 8 HA THR 8 -2.105 -0.726 10.848 35 HB THR 8 HB THR 8 -1.261 0.156 13.613 36 HG1 THR 8 1HG THR 8 -2.330 -2.285 12.681 37 HG21 THR 8 3HG2 THR 8 -3.961 -0.163 12.254 38 HG22 THR 8 1HG2 THR 8 -3.142 1.343 12.665 39 HG23 THR 8 2HG2 THR 8 -3.709 0.283 13.944 40 H GLN 9 H GLN 9 0.706 0.764 12.419 41 HA GLN 9 HA GLN 9 0.155 3.412 11.628 42 HB2 GLN 9 2HB GLN 9 2.549 1.939 12.648 43 HB3 GLN 9 1HB GLN 9 2.802 3.447 11.792 44 HG2 GLN 9 2HG GLN 9 0.619 3.512 13.791 45 HG3 GLN 9 1HG GLN 9 2.232 3.345 14.445 46 HE21 GLN 9 1HE2 GLN 9 0.324 5.406 12.216 47 HE22 GLN 9 2HE2 GLN 9 1.275 6.788 12.448 48 H LEU 10 H LEU 10 2.120 0.831 10.169 49 HA LEU 10 HA LEU 10 2.962 2.414 7.965 50 HB2 LEU 10 2HB LEU 10 2.658 -0.590 8.208 51 HB3 LEU 10 1HB LEU 10 3.384 0.224 6.835 52 HG LEU 10 HG LEU 10 4.509 -0.265 9.533 53 HD11 LEU 10 1HD1 LEU 10 5.252 -0.951 7.042 54 HD12 LEU 10 2HD1 LEU 10 6.353 -0.818 8.403 55 HD13 LEU 10 3HD1 LEU 10 6.216 0.514 7.263 56 HD21 LEU 10 3HD2 LEU 10 5.012 2.394 8.123 57 HD22 LEU 10 1HD2 LEU 10 5.934 1.778 9.481 58 HD23 LEU 10 2HD2 LEU 10 4.261 2.196 9.718 59 H PHE 11 H PHE 11 0.161 0.337 8.440 60 HA PHE 11 HA PHE 11 -0.926 0.659 5.852 61 HB2 PHE 11 2HB PHE 11 -1.863 -0.979 7.300 62 HB3 PHE 11 1HB PHE 11 -2.213 0.199 8.549 63 HD1 PHE 11 1HD PHE 11 -3.097 -0.782 5.047 64 HD2 PHE 11 2HD PHE 11 -4.214 1.489 8.524 65 HE1 PHE 11 1HE PHE 11 -5.290 -0.298 4.029 66 HE2 PHE 11 2HE PHE 11 -6.417 1.970 7.501 67 HZ PHE 11 HZ PHE 11 -6.960 1.087 5.268 68 H ASN 12 H ASN 12 -1.434 2.491 8.849 69 HA ASN 12 HA ASN 12 -3.210 4.441 7.802 70 HB2 ASN 12 2HB ASN 12 -1.206 4.617 10.053 71 HB3 ASN 12 1HB ASN 12 -2.410 5.846 9.710 72 HD21 ASN 12 1HD2 ASN 12 -2.090 3.952 12.045 73 HD22 ASN 12 2HD2 ASN 12 -3.605 3.182 12.193 74 H ARG 13 H ARG 13 0.282 4.409 8.227 75 HA ARG 13 HA ARG 13 0.799 6.992 7.216 76 HB2 ARG 13 2HB ARG 13 2.484 4.501 7.462 77 HB3 ARG 13 1HB ARG 13 3.111 6.077 6.982 78 HG2 ARG 13 2HG ARG 13 2.432 7.094 9.051 79 HG3 ARG 13 1HG ARG 13 1.595 5.658 9.598 80 HD2 ARG 13 2HD ARG 13 3.630 4.415 9.614 81 HD3 ARG 13 1HD ARG 13 4.604 5.792 9.063 82 HE ARG 13 HE ARG 13 3.607 5.191 11.722 83 HH11 ARG 13 1HH2 ARG 13 4.615 7.742 9.582 84 HH12 ARG 13 2HH2 ARG 13 5.044 8.819 10.837 85 HH21 ARG 13 1HH1 ARG 13 4.116 6.605 13.385 86 HH22 ARG 13 2HH1 ARG 13 4.764 8.165 13.051 87 H ALA 14 H ALA 14 0.838 3.771 5.753 88 HA ALA 14 HA ALA 14 1.635 4.656 3.163 89 HB1 ALA 14 1HB ALA 14 1.896 2.313 3.885 90 HB2 ALA 14 2HB ALA 14 0.945 2.419 2.399 91 HB3 ALA 14 3HB ALA 14 0.146 2.150 3.943 92 H VAL 15 H VAL 15 -1.551 3.761 4.494 93 HA VAL 15 HA VAL 15 -2.922 4.200 2.122 94 HB VAL 15 HB VAL 15 -3.691 2.953 4.242 95 HG11 VAL 15 1HG1 VAL 15 -3.468 5.067 5.675 96 HG12 VAL 15 2HG1 VAL 15 -4.954 4.156 5.855 97 HG13 VAL 15 3HG1 VAL 15 -4.943 5.636 4.891 98 HG21 VAL 15 3HG2 VAL 15 -5.721 4.761 2.942 99 HG22 VAL 15 1HG2 VAL 15 -5.966 3.132 3.549 100 HG23 VAL 15 2HG2 VAL 15 -5.011 3.400 2.088 101 H SER 16 H SER 16 -2.234 6.424 4.804 102 HA SER 16 HA SER 16 -3.935 8.476 3.984 103 HB2 SER 16 2HB SER 16 -2.259 9.935 5.241 104 HB3 SER 16 1HB SER 16 -3.014 8.657 6.140 105 HG SER 16 HG SER 16 -1.217 7.497 6.112 106 H MET 17 H MET 17 -0.573 7.791 3.205 107 HA MET 17 HA MET 17 -0.201 10.108 1.646 108 HB2 MET 17 2HB MET 17 1.271 7.482 1.550 109 HB3 MET 17 1HB MET 17 1.821 8.958 0.761 110 HG2 MET 17 2HG MET 17 1.538 10.027 3.184 111 HG3 MET 17 1HG MET 17 1.450 8.419 3.678 112 HE1 MET 17 3HE MET 17 3.298 6.535 2.093 113 HE2 MET 17 1HE MET 17 3.061 6.681 3.844 114 HE3 MET 17 2HE MET 17 4.676 6.630 3.179 115 H VAL 18 H VAL 18 -1.127 6.816 0.749 116 HA VAL 18 HA VAL 18 -1.216 7.461 -2.019 117 HB VAL 18 HB VAL 18 -2.321 5.279 -2.333 118 HG11 VAL 18 1HG1 VAL 18 -0.359 3.965 -1.622 119 HG12 VAL 18 2HG1 VAL 18 0.109 5.256 -0.514 120 HG13 VAL 18 3HG1 VAL 18 0.160 5.528 -2.252 121 HG21 VAL 18 3HG2 VAL 18 -2.410 5.454 0.646 122 HG22 VAL 18 1HG2 VAL 18 -2.114 3.873 -0.054 123 HG23 VAL 18 2HG2 VAL 18 -3.592 4.747 -0.450 124 H GLU 19 H GLU 19 -3.797 7.274 0.465 125 HA GLU 19 HA GLU 19 -5.930 7.595 -1.345 126 HB2 GLU 19 2HB GLU 19 -5.682 8.550 1.530 127 HB3 GLU 19 1HB GLU 19 -7.147 8.602 0.544 128 HG2 GLU 19 2HG GLU 19 -7.133 6.140 0.366 129 HG3 GLU 19 1HG GLU 19 -5.669 6.082 1.319 130 H LYS 20 H LYS 20 -3.766 9.849 0.233 131 HA LYS 20 HA LYS 20 -5.306 12.118 -0.740 132 HB2 LYS 20 2HB LYS 20 -2.858 12.109 1.028 133 HB3 LYS 20 1HB LYS 20 -3.995 13.435 0.799 134 HG2 LYS 20 2HG LYS 20 -4.754 10.719 1.969 135 HG3 LYS 20 1HG LYS 20 -4.464 12.167 2.917 136 HD2 LYS 20 2HD LYS 20 -6.552 12.900 2.558 137 HD3 LYS 20 1HD LYS 20 -6.396 12.782 0.819 138 HE2 LYS 20 2HE LYS 20 -8.225 11.311 1.612 139 HE3 LYS 20 1HE LYS 20 -6.915 10.409 0.907 140 HZ1 LYS 20 3HZ LYS 20 -7.223 9.205 2.874 141 HZ2 LYS 20 1HZ LYS 20 -7.739 10.556 3.705 142 HZ3 LYS 20 2HZ LYS 20 -6.100 10.329 3.443 143 H ASN 21 H ASN 21 -2.690 10.364 -1.918 144 HA ASN 21 HA ASN 21 -1.222 12.521 -3.136 145 HB2 ASN 21 2HB ASN 21 -0.305 10.151 -2.892 146 HB3 ASN 21 1HB ASN 21 -1.429 9.689 -4.170 147 HD21 ASN 21 1HD2 ASN 21 1.741 10.673 -3.727 148 HD22 ASN 21 2HD2 ASN 21 2.015 11.294 -5.281 149 H LYS 22 H LYS 22 -1.835 13.760 -4.707 150 HA LYS 22 HA LYS 22 -4.390 13.753 -5.774 151 HB2 LYS 22 2HB LYS 22 -3.665 15.518 -7.237 152 HB3 LYS 22 1HB LYS 22 -2.856 15.735 -5.697 153 HG2 LYS 22 2HG LYS 22 -1.603 14.397 -8.136 154 HG3 LYS 22 1HG LYS 22 -1.307 16.043 -7.656 155 HD2 LYS 22 2HD LYS 22 -0.563 15.124 -5.371 156 HD3 LYS 22 1HD LYS 22 -0.515 13.548 -6.125 157 HE2 LYS 22 2HE LYS 22 1.139 15.978 -6.855 158 HE3 LYS 22 1HE LYS 22 1.656 14.391 -6.276 159 HZ1 LYS 22 3HZ LYS 22 1.417 15.194 -8.897 160 HZ2 LYS 22 1HZ LYS 22 0.138 14.161 -8.757 161 HZ3 LYS 22 2HZ LYS 22 1.670 13.616 -8.447 162 H ASP 23 H ASP 23 -1.417 12.454 -7.122 163 HA ASP 23 HA ASP 23 -2.392 11.769 -9.687 164 HB2 ASP 23 2HB ASP 23 -0.196 10.730 -7.929 165 HB3 ASP 23 1HB ASP 23 -0.486 10.111 -9.539 166 H ILE 24 H ILE 24 -2.031 9.971 -6.695 167 HA ILE 24 HA ILE 24 -3.288 7.623 -7.674 168 HB ILE 24 HB ILE 24 -2.788 8.547 -4.826 169 HG12 ILE 24 2HG1 ILE 24 -1.493 6.353 -6.478 170 HG13 ILE 24 1HG1 ILE 24 -0.829 7.980 -6.405 171 HG21 ILE 24 1HG2 ILE 24 -4.044 6.068 -5.986 172 HG22 ILE 24 2HG2 ILE 24 -4.557 7.034 -4.598 173 HG23 ILE 24 3HG2 ILE 24 -3.146 5.991 -4.465 174 HD11 ILE 24 3HD1 ILE 24 -1.471 6.638 -3.836 175 HD12 ILE 24 1HD1 ILE 24 -0.158 7.758 -4.211 176 HD13 ILE 24 2HD1 ILE 24 -0.058 6.067 -4.718 177 H ARG 25 H ARG 25 -4.454 10.440 -5.882 178 HA ARG 25 HA ARG 25 -7.098 9.551 -5.578 179 HB2 ARG 25 2HB ARG 25 -5.864 12.249 -5.786 180 HB3 ARG 25 1HB ARG 25 -7.609 12.113 -5.777 181 HG2 ARG 25 2HG ARG 25 -7.391 10.726 -3.633 182 HG3 ARG 25 1HG ARG 25 -5.671 11.077 -3.655 183 HD2 ARG 25 2HD ARG 25 -7.745 13.278 -3.666 184 HD3 ARG 25 1HD ARG 25 -7.163 12.562 -2.180 185 HE ARG 25 HE ARG 25 -4.855 13.256 -3.445 186 HH11 ARG 25 1HH2 ARG 25 -7.838 14.974 -2.804 187 HH12 ARG 25 2HH2 ARG 25 -7.093 16.481 -2.537 188 HH21 ARG 25 1HH1 ARG 25 -3.838 15.291 -3.079 189 HH22 ARG 25 2HH1 ARG 25 -4.789 16.664 -2.711 190 H SER 26 H SER 26 -5.498 11.155 -8.237 191 HA SER 26 HA SER 26 -7.760 11.401 -9.925 192 HB2 SER 26 2HB SER 26 -4.878 10.957 -10.577 193 HB3 SER 26 1HB SER 26 -6.084 11.562 -11.728 194 HG SER 26 HG SER 26 -4.887 12.724 -9.436 195 H LEU 27 H LEU 27 -5.387 8.806 -9.419 196 HA LEU 27 HA LEU 27 -6.479 6.972 -11.313 197 HB2 LEU 27 2HB LEU 27 -4.865 6.479 -8.795 198 HB3 LEU 27 1HB LEU 27 -5.273 5.242 -9.970 199 HG LEU 27 HG LEU 27 -3.725 7.763 -10.618 200 HD11 LEU 27 1HD1 LEU 27 -1.767 6.639 -10.360 201 HD12 LEU 27 2HD1 LEU 27 -2.467 5.069 -10.757 202 HD13 LEU 27 3HD1 LEU 27 -2.709 5.763 -9.157 203 HD21 LEU 27 3HD2 LEU 27 -3.296 5.771 -12.584 204 HD22 LEU 27 1HD2 LEU 27 -4.290 7.211 -12.759 205 HD23 LEU 27 2HD2 LEU 27 -5.014 5.696 -12.251 206 H LEU 28 H LEU 28 -7.036 7.598 -7.909 207 HA LEU 28 HA LEU 28 -8.911 5.454 -7.587 208 HB2 LEU 28 2HB LEU 28 -8.316 7.843 -5.817 209 HB3 LEU 28 1HB LEU 28 -9.375 6.543 -5.346 210 HG LEU 28 HG LEU 28 -6.447 6.198 -6.091 211 HD11 LEU 28 1HD1 LEU 28 -7.812 6.190 -3.381 212 HD12 LEU 28 2HD1 LEU 28 -6.712 7.434 -3.974 213 HD13 LEU 28 3HD1 LEU 28 -6.122 5.805 -3.678 214 HD21 LEU 28 3HD2 LEU 28 -6.780 3.949 -5.075 215 HD22 LEU 28 1HD2 LEU 28 -7.766 4.144 -6.516 216 HD23 LEU 28 2HD2 LEU 28 -8.494 4.271 -4.912 217 H GLN 29 H GLN 29 -9.096 8.254 -9.233 218 HA GLN 29 HA GLN 29 -10.771 9.524 -10.112 219 HB2 GLN 29 2HB GLN 29 -12.753 7.518 -9.060 220 HB3 GLN 29 1HB GLN 29 -12.870 8.512 -10.506 221 HG2 GLN 29 2HG GLN 29 -11.003 6.145 -10.073 222 HG3 GLN 29 1HG GLN 29 -12.376 6.225 -11.160 223 HE21 GLN 29 1HE2 GLN 29 -9.277 5.997 -11.513 224 HE22 GLN 29 2HE2 GLN 29 -8.990 7.099 -12.764 225 H CYS 30 H CYS 30 -9.846 10.067 -7.517 226 HA CYS 30 HA CYS 30 -11.875 10.411 -5.599 227 HB2 CYS 30 2HB CYS 30 -9.267 10.632 -5.395 228 HB3 CYS 30 1HB CYS 30 -9.590 12.339 -5.712 229 HG CYS 30 HG CYS 30 -10.208 12.483 -3.327 230 H ASP 31 H ASP 31 -13.398 11.116 -7.454 231 HA ASP 31 HA ASP 31 -13.422 13.730 -8.478 232 HB2 ASP 31 2HB ASP 31 -14.949 12.068 -9.334 233 HB3 ASP 31 1HB ASP 31 -15.730 11.906 -7.769 234 H ASP 32 H ASP 32 -15.119 12.438 -5.678 235 HA ASP 32 HA ASP 32 -16.144 13.477 -3.913 236 HB2 ASP 32 2HB ASP 32 -13.399 14.672 -4.065 237 HB3 ASP 32 1HB ASP 32 -14.491 15.253 -2.829 238 H GLY 33 H GLY 33 -17.291 14.415 -6.152 239 HA2 GLY 33 2HA GLY 33 -17.911 17.162 -5.449 240 HA3 GLY 33 1HA GLY 33 -17.114 16.922 -6.995 241 H ILE 34 H ILE 34 -18.232 15.702 -8.654 242 HA ILE 34 HA ILE 34 -20.912 16.476 -8.845 243 HB ILE 34 HB ILE 34 -19.697 16.271 -10.862 244 HG12 ILE 34 2HG1 ILE 34 -21.078 14.700 -12.196 245 HG13 ILE 34 1HG1 ILE 34 -21.657 13.958 -10.722 246 HG21 ILE 34 1HG2 ILE 34 -19.028 13.857 -11.610 247 HG22 ILE 34 2HG2 ILE 34 -19.012 13.515 -9.885 248 HG23 ILE 34 3HG2 ILE 34 -17.982 14.783 -10.553 249 HD11 ILE 34 3HD1 ILE 34 -21.962 16.931 -10.906 250 HD12 ILE 34 1HD1 ILE 34 -23.038 15.731 -10.189 251 HD13 ILE 34 2HD1 ILE 34 -23.009 15.949 -11.929 252 H THR 35 H THR 35 -19.538 13.354 -8.059 253 HA THR 35 HA THR 35 -22.247 12.286 -7.702 254 HB THR 35 HB THR 35 -21.096 10.596 -8.705 255 HG1 THR 35 1HG THR 35 -19.832 9.554 -6.545 256 HG21 THR 35 3HG2 THR 35 -18.636 10.145 -8.333 257 HG22 THR 35 1HG2 THR 35 -18.575 11.639 -7.386 258 HG23 THR 35 2HG2 THR 35 -19.047 11.664 -9.092 259 H GLY 36 H GLY 36 -20.743 14.413 -6.085 260 HA2 GLY 36 2HA GLY 36 -20.959 15.102 -3.925 261 HA3 GLY 36 1HA GLY 36 -21.614 13.519 -3.483 262 H LYS 37 H LYS 37 -20.088 13.689 -1.673 263 HA LYS 37 HA LYS 37 -17.365 12.940 -2.550 264 HB2 LYS 37 2HB LYS 37 -18.398 14.182 -0.006 265 HB3 LYS 37 1HB LYS 37 -16.877 13.309 -0.035 266 HG2 LYS 37 2HG LYS 37 -16.209 15.544 -0.521 267 HG3 LYS 37 1HG LYS 37 -16.266 14.758 -2.090 268 HD2 LYS 37 2HD LYS 37 -17.473 16.615 -2.617 269 HD3 LYS 37 1HD LYS 37 -18.813 15.649 -2.078 270 HE2 LYS 37 2HE LYS 37 -19.177 17.516 -0.806 271 HE3 LYS 37 1HE LYS 37 -18.118 16.672 0.317 272 HZ1 LYS 37 3HZ LYS 37 -17.233 18.666 -1.709 273 HZ2 LYS 37 1HZ LYS 37 -16.241 17.940 -0.542 274 HZ3 LYS 37 2HZ LYS 37 -17.482 18.980 -0.067 275 H GLU 38 H GLU 38 -16.991 10.944 -2.618 276 HA GLU 38 HA GLU 38 -18.737 9.016 -1.335 277 HB2 GLU 38 2HB GLU 38 -16.451 8.704 -3.263 278 HB3 GLU 38 1HB GLU 38 -17.437 7.385 -2.694 279 HG2 GLU 38 2HG GLU 38 -19.440 8.376 -3.584 280 HG3 GLU 38 1HG GLU 38 -18.575 9.836 -4.020 281 H ARG 39 H ARG 39 -18.070 7.460 0.043 282 HA ARG 39 HA ARG 39 -15.846 8.185 1.816 283 HB2 ARG 39 2HB ARG 39 -17.597 5.727 1.995 284 HB3 ARG 39 1HB ARG 39 -16.625 6.435 3.276 285 HG2 ARG 39 2HG ARG 39 -18.987 7.803 1.936 286 HG3 ARG 39 1HG ARG 39 -19.028 7.010 3.498 287 HD2 ARG 39 2HD ARG 39 -17.337 8.563 4.374 288 HD3 ARG 39 1HD ARG 39 -17.236 9.385 2.839 289 HE ARG 39 HE ARG 39 -19.377 9.539 4.795 290 HH11 ARG 39 1HH2 ARG 39 -18.260 10.147 1.560 291 HH12 ARG 39 2HH2 ARG 39 -19.409 11.327 1.173 292 HH21 ARG 39 1HH1 ARG 39 -20.974 11.179 4.326 293 HH22 ARG 39 2HH1 ARG 39 -20.972 11.944 2.794 294 H LEU 40 H LEU 40 -13.847 7.440 1.592 295 HA LEU 40 HA LEU 40 -13.269 5.292 -0.302 296 HB2 LEU 40 2HB LEU 40 -11.375 6.914 1.420 297 HB3 LEU 40 1HB LEU 40 -10.929 5.802 0.142 298 HG LEU 40 HG LEU 40 -12.654 7.317 -1.269 299 HD11 LEU 40 1HD1 LEU 40 -11.877 8.931 1.109 300 HD12 LEU 40 2HD1 LEU 40 -13.302 9.061 0.100 301 HD13 LEU 40 3HD1 LEU 40 -11.769 9.738 -0.442 302 HD21 LEU 40 3HD2 LEU 40 -9.729 7.909 -0.682 303 HD22 LEU 40 1HD2 LEU 40 -10.622 8.647 -2.012 304 HD23 LEU 40 2HD2 LEU 40 -10.374 6.906 -1.983 305 H LYS 41 H LYS 41 -12.324 3.307 0.235 306 HA LYS 41 HA LYS 41 -12.133 2.709 3.110 307 HB2 LYS 41 2HB LYS 41 -13.545 1.048 1.019 308 HB3 LYS 41 1HB LYS 41 -13.047 0.398 2.572 309 HG2 LYS 41 2HG LYS 41 -14.616 2.962 2.597 310 HG3 LYS 41 1HG LYS 41 -15.469 1.484 2.220 311 HD2 LYS 41 2HD LYS 41 -15.658 1.550 4.555 312 HD3 LYS 41 1HD LYS 41 -14.299 0.470 4.327 313 HE2 LYS 41 2HE LYS 41 -13.972 2.232 6.077 314 HE3 LYS 41 1HE LYS 41 -12.703 2.217 4.872 315 HZ1 LYS 41 3HZ LYS 41 -15.075 3.949 4.518 316 HZ2 LYS 41 1HZ LYS 41 -13.498 4.255 3.959 317 HZ3 LYS 41 2HZ LYS 41 -13.843 4.408 5.582 318 H ALA 42 H ALA 42 -10.508 1.429 3.747 319 HA ALA 42 HA ALA 42 -8.858 0.173 1.690 320 HB1 ALA 42 1HB ALA 42 -6.806 0.993 2.941 321 HB2 ALA 42 2HB ALA 42 -7.885 2.140 3.754 322 HB3 ALA 42 3HB ALA 42 -7.678 2.208 2.005 323 H TYR 43 H TYR 43 -8.137 -1.773 2.229 324 HA TYR 43 HA TYR 43 -7.896 -2.652 4.943 325 HB2 TYR 43 2HB TYR 43 -9.690 -4.438 4.651 326 HB3 TYR 43 1HB TYR 43 -10.243 -2.798 4.972 327 HD1 TYR 43 1HD TYR 43 -9.538 -5.177 2.178 328 HD2 TYR 43 2HD TYR 43 -11.700 -1.697 3.458 329 HE1 TYR 43 1HE TYR 43 -10.787 -5.241 0.136 330 HE2 TYR 43 2HE TYR 43 -12.981 -1.727 1.378 331 HH TYR 43 HH TYR 43 -13.339 -2.757 -0.569 332 H GLY 44 H GLY 44 -7.677 -5.167 4.971 333 HA2 GLY 44 2HA GLY 44 -5.435 -5.836 3.478 334 HA3 GLY 44 1HA GLY 44 -6.462 -6.906 4.409 335 H GLU 45 H GLU 45 -5.234 -7.367 1.862 336 HA GLU 45 HA GLU 45 -6.309 -7.310 -0.455 337 HB2 GLU 45 2HB GLU 45 -5.610 -9.689 1.129 338 HB3 GLU 45 1HB GLU 45 -5.974 -9.918 -0.588 339 HG2 GLU 45 2HG GLU 45 -3.868 -8.051 0.593 340 HG3 GLU 45 1HG GLU 45 -3.526 -9.577 -0.193 341 H LEU 46 H LEU 46 -8.226 -7.050 -1.205 342 HA LEU 46 HA LEU 46 -10.643 -7.654 0.049 343 HB2 LEU 46 2HB LEU 46 -10.405 -5.866 -1.604 344 HB3 LEU 46 1HB LEU 46 -10.083 -7.047 -2.848 345 HG LEU 46 HG LEU 46 -12.616 -7.362 -1.262 346 HD11 LEU 46 1HD1 LEU 46 -12.114 -4.898 -2.412 347 HD12 LEU 46 2HD1 LEU 46 -13.698 -5.592 -2.135 348 HD13 LEU 46 3HD1 LEU 46 -12.928 -5.774 -3.705 349 HD21 LEU 46 3HD2 LEU 46 -11.418 -8.359 -3.760 350 HD22 LEU 46 1HD2 LEU 46 -13.064 -7.776 -3.983 351 HD23 LEU 46 2HD2 LEU 46 -12.737 -9.027 -2.801 352 H ILE 47 H ILE 47 -9.056 -9.337 -2.685 353 HA ILE 47 HA ILE 47 -11.252 -11.067 -3.094 354 HB ILE 47 HB ILE 47 -9.761 -12.385 -4.538 355 HG12 ILE 47 2HG1 ILE 47 -7.563 -10.493 -3.578 356 HG13 ILE 47 1HG1 ILE 47 -7.687 -12.189 -3.120 357 HG21 ILE 47 1HG2 ILE 47 -9.540 -9.372 -4.762 358 HG22 ILE 47 2HG2 ILE 47 -10.778 -10.409 -5.471 359 HG23 ILE 47 3HG2 ILE 47 -9.122 -10.489 -6.064 360 HD11 ILE 47 3HD1 ILE 47 -7.564 -12.818 -5.526 361 HD12 ILE 47 1HD1 ILE 47 -6.129 -11.959 -4.968 362 HD13 ILE 47 2HD1 ILE 47 -7.340 -11.119 -5.926 363 H THR 48 H THR 48 -8.662 -11.178 -0.888 364 HA THR 48 HA THR 48 -8.822 -13.886 -0.041 365 HB THR 48 HB THR 48 -8.309 -11.999 2.083 366 HG1 THR 48 1HG THR 48 -7.708 -10.442 0.815 367 HG21 THR 48 3HG2 THR 48 -6.432 -13.171 2.346 368 HG22 THR 48 1HG2 THR 48 -6.086 -13.386 0.636 369 HG23 THR 48 2HG2 THR 48 -7.320 -14.362 1.400 370 H ASN 49 H ASN 49 -10.386 -10.854 0.784 371 HA ASN 49 HA ASN 49 -11.909 -11.736 2.979 372 HB2 ASN 49 2HB ASN 49 -11.258 -9.332 2.130 373 HB3 ASN 49 1HB ASN 49 -12.822 -9.424 1.336 374 HD21 ASN 49 1HD2 ASN 49 -14.447 -8.551 2.643 375 HD22 ASN 49 2HD2 ASN 49 -14.473 -8.641 4.330 376 H ASP 50 H ASP 50 -12.286 -13.027 0.085 377 HA ASP 50 HA ASP 50 -14.904 -12.712 -0.750 378 HB2 ASP 50 2HB ASP 50 -13.249 -14.182 -1.883 379 HB3 ASP 50 1HB ASP 50 -13.393 -15.336 -0.570 380 H LYS 51 H LYS 51 -14.029 -15.574 1.158 381 HA LYS 51 HA LYS 51 -16.285 -14.991 2.983 382 HB2 LYS 51 2HB LYS 51 -15.374 -17.722 2.049 383 HB3 LYS 51 1HB LYS 51 -16.517 -17.472 3.353 384 HG2 LYS 51 2HG LYS 51 -16.875 -16.569 0.478 385 HG3 LYS 51 1HG LYS 51 -17.671 -17.947 1.231 386 HD2 LYS 51 2HD LYS 51 -18.504 -16.108 3.001 387 HD3 LYS 51 1HD LYS 51 -18.100 -15.017 1.691 388 HE2 LYS 51 2HE LYS 51 -20.450 -15.660 1.566 389 HE3 LYS 51 1HE LYS 51 -19.578 -16.221 0.146 390 HZ1 LYS 51 3HZ LYS 51 -20.234 -18.295 0.654 391 HZ2 LYS 51 1HZ LYS 51 -21.002 -17.769 2.041 392 HZ3 LYS 51 2HZ LYS 51 -19.390 -18.242 2.093 393 H TRP 52 H TRP 52 -14.145 -17.662 3.463 394 HA TRP 52 HA TRP 52 -12.842 -16.279 5.762 395 HB2 TRP 52 2HB TRP 52 -12.850 -19.253 5.265 396 HB3 TRP 52 1HB TRP 52 -12.552 -18.382 6.762 397 HD1 TRP 52 HD TRP 52 -15.226 -20.123 4.903 398 HE1 TRP 52 1HE TRP 52 -17.511 -19.732 6.025 399 HE3 TRP 52 3HE TRP 52 -14.021 -16.335 8.083 400 HZ2 TRP 52 2HZ TRP 52 -18.679 -18.041 7.999 401 HZ3 TRP 52 3HZ TRP 52 -15.741 -15.345 9.576 402 HH2 TRP 52 HH TRP 52 -18.070 -16.198 9.533 403 H THR 53 H THR 53 -12.358 -17.064 2.598 404 HA THR 53 HA THR 53 -9.791 -18.168 2.569 405 HB THR 53 HB THR 53 -9.760 -16.983 0.252 406 HG1 THR 53 1HG THR 53 -11.415 -15.461 0.850 407 HG21 THR 53 3HG2 THR 53 -11.888 -18.659 -0.255 408 HG22 THR 53 1HG2 THR 53 -11.334 -19.236 1.312 409 HG23 THR 53 2HG2 THR 53 -10.220 -19.179 -0.026 410 H ARG 54 H ARG 54 -10.730 -15.317 3.805 411 HA ARG 54 HA ARG 54 -9.245 -13.287 3.047 412 HB2 ARG 54 2HB ARG 54 -9.677 -12.184 4.975 413 HB3 ARG 54 1HB ARG 54 -10.976 -13.352 4.862 414 HG2 ARG 54 2HG ARG 54 -10.445 -14.163 6.790 415 HG3 ARG 54 1HG ARG 54 -8.847 -14.666 6.259 416 HD2 ARG 54 2HD ARG 54 -8.162 -12.216 6.610 417 HD3 ARG 54 1HD ARG 54 -9.655 -11.998 7.455 418 HE ARG 54 HE ARG 54 -8.794 -13.205 9.251 419 HH11 ARG 54 1HH2 ARG 54 -6.829 -13.580 6.386 420 HH12 ARG 54 2HH2 ARG 54 -5.515 -14.319 7.165 421 HH21 ARG 54 1HH1 ARG 54 -7.023 -14.237 10.346 422 HH22 ARG 54 2HH1 ARG 54 -5.634 -14.714 9.466 423 H ASN 55 H ASN 55 -7.414 -15.672 3.155 424 HA ASN 55 HA ASN 55 -5.349 -16.089 4.518 425 HB2 ASN 55 2HB ASN 55 -5.440 -15.779 1.783 426 HB3 ASN 55 1HB ASN 55 -4.421 -14.494 2.193 427 HD21 ASN 55 1HD2 ASN 55 -4.375 -17.943 1.921 428 HD22 ASN 55 2HD2 ASN 55 -2.793 -18.129 2.484 429 H ARG 56 H ARG 56 -4.753 -12.932 2.884 430 HA ARG 56 HA ARG 56 -3.509 -12.073 5.391 431 HB2 ARG 56 2HB ARG 56 -2.871 -10.847 2.734 432 HB3 ARG 56 1HB ARG 56 -1.952 -10.811 4.202 433 HG2 ARG 56 2HG ARG 56 -2.464 -13.567 3.110 434 HG3 ARG 56 1HG ARG 56 -1.389 -12.521 2.207 435 HD2 ARG 56 2HD ARG 56 -0.242 -13.938 3.995 436 HD3 ARG 56 1HD ARG 56 0.099 -12.224 4.004 437 HE ARG 56 HE ARG 56 -0.949 -12.052 6.052 438 HH11 ARG 56 1HH2 ARG 56 -1.819 -15.115 4.511 439 HH12 ARG 56 2HH2 ARG 56 -2.577 -15.713 5.906 440 HH21 ARG 56 1HH1 ARG 56 -2.038 -12.939 7.926 441 HH22 ARG 56 2HH1 ARG 56 -2.710 -14.502 7.822 442 HA PRO 57 HA PRO 57 -6.262 -8.541 5.259 443 HB2 PRO 57 2HB PRO 57 -6.228 -8.059 7.906 444 HB3 PRO 57 1HB PRO 57 -7.261 -9.306 7.184 445 HG2 PRO 57 2HG PRO 57 -4.711 -9.634 8.681 446 HG3 PRO 57 1HG PRO 57 -6.161 -10.650 8.634 447 HD2 PRO 57 2HD PRO 57 -3.844 -11.170 7.203 448 HD3 PRO 57 1HD PRO 57 -5.438 -11.871 6.850 449 H ILE 58 H ILE 58 -5.569 -6.270 6.511 450 HA ILE 58 HA ILE 58 -3.055 -5.466 5.579 451 HB ILE 58 HB ILE 58 -4.526 -4.427 8.031 452 HG12 ILE 58 2HG1 ILE 58 -4.583 -3.326 5.202 453 HG13 ILE 58 1HG1 ILE 58 -5.812 -4.440 5.813 454 HG21 ILE 58 1HG2 ILE 58 -3.150 -2.587 8.021 455 HG22 ILE 58 2HG2 ILE 58 -2.769 -2.713 6.308 456 HG23 ILE 58 3HG2 ILE 58 -1.981 -3.772 7.459 457 HD11 ILE 58 3HD1 ILE 58 -6.598 -2.903 7.396 458 HD12 ILE 58 1HD1 ILE 58 -6.268 -1.894 5.990 459 HD13 ILE 58 2HD1 ILE 58 -5.126 -1.935 7.330 460 H VAL 59 H VAL 59 -1.186 -6.572 6.073 461 HA VAL 59 HA VAL 59 -0.310 -6.833 8.802 462 HB VAL 59 HB VAL 59 0.104 -9.273 8.604 463 HG11 VAL 59 1HG1 VAL 59 -2.836 -8.637 8.271 464 HG12 VAL 59 2HG1 VAL 59 -1.948 -8.414 9.781 465 HG13 VAL 59 3HG1 VAL 59 -2.144 -10.021 9.098 466 HG21 VAL 59 3HG2 VAL 59 -0.944 -8.819 5.892 467 HG22 VAL 59 1HG2 VAL 59 -1.767 -10.145 6.702 468 HG23 VAL 59 2HG2 VAL 59 -0.014 -10.162 6.509 469 H SER 60 H SER 60 1.580 -5.772 8.410 470 HA SER 60 HA SER 60 3.204 -6.280 6.095 471 HB2 SER 60 2HB SER 60 4.199 -5.257 8.765 472 HB3 SER 60 1HB SER 60 4.895 -5.011 7.176 473 HG SER 60 HG SER 60 2.232 -4.095 7.782 474 H THR 61 H THR 61 4.689 -7.954 5.836 475 HA THR 61 HA THR 61 4.816 -9.921 7.989 476 HB THR 61 HB THR 61 5.903 -11.366 6.390 477 HG1 THR 61 1HG THR 61 6.979 -9.296 5.506 478 HG21 THR 61 3HG2 THR 61 4.224 -11.436 4.622 479 HG22 THR 61 1HG2 THR 61 3.717 -9.789 4.986 480 HG23 THR 61 2HG2 THR 61 3.455 -11.081 6.157 481 H LYS 62 H LYS 62 6.283 -9.622 9.549 482 HA LYS 62 HA LYS 62 8.490 -7.833 9.320 483 HB2 LYS 62 2HB LYS 62 7.891 -10.003 11.344 484 HB3 LYS 62 1HB LYS 62 9.197 -8.834 11.484 485 HG2 LYS 62 2HG LYS 62 6.284 -8.012 11.191 486 HG3 LYS 62 1HG LYS 62 7.077 -8.236 12.744 487 HD2 LYS 62 2HD LYS 62 8.900 -6.634 11.793 488 HD3 LYS 62 1HD LYS 62 7.655 -6.167 10.638 489 HE2 LYS 62 2HE LYS 62 6.823 -4.768 12.199 490 HE3 LYS 62 1HE LYS 62 6.358 -6.167 13.148 491 HZ1 LYS 62 3HZ LYS 62 7.724 -4.737 14.435 492 HZ2 LYS 62 1HZ LYS 62 8.990 -4.714 13.344 493 HZ3 LYS 62 2HZ LYS 62 8.585 -6.126 14.193 494 H LYS 63 H LYS 63 10.508 -8.189 8.591 495 HA LYS 63 HA LYS 63 11.658 -10.839 8.831 496 HB2 LYS 63 2HB LYS 63 11.634 -9.383 6.178 497 HB3 LYS 63 1HB LYS 63 12.591 -10.813 6.529 498 HG2 LYS 63 2HG LYS 63 10.287 -11.891 7.234 499 HG3 LYS 63 1HG LYS 63 9.583 -10.594 6.290 500 HD2 LYS 63 2HD LYS 63 11.716 -12.416 5.142 501 HD3 LYS 63 1HD LYS 63 9.999 -12.801 5.090 502 HE2 LYS 63 2HE LYS 63 9.587 -10.607 3.934 503 HE3 LYS 63 1HE LYS 63 11.339 -10.374 3.887 504 HZ1 LYS 63 3HZ LYS 63 11.592 -12.012 2.318 505 HZ2 LYS 63 1HZ LYS 63 10.055 -11.542 1.881 506 HZ3 LYS 63 2HZ LYS 63 10.263 -12.897 2.811 507 H LEU 64 H LEU 64 13.837 -10.783 9.227 508 HA LEU 64 HA LEU 64 14.983 -8.088 9.522 509 HB2 LEU 64 2HB LEU 64 14.827 -9.862 11.468 510 HB3 LEU 64 1HB LEU 64 16.225 -10.575 10.684 511 HG LEU 64 HG LEU 64 17.451 -9.134 11.957 512 HD11 LEU 64 1HD1 LEU 64 17.651 -8.052 9.706 513 HD12 LEU 64 2HD1 LEU 64 17.884 -6.988 11.076 514 HD13 LEU 64 3HD1 LEU 64 16.382 -6.913 10.195 515 HD21 LEU 64 3HD2 LEU 64 16.528 -7.321 13.245 516 HD22 LEU 64 1HD2 LEU 64 15.323 -8.600 13.278 517 HD23 LEU 64 2HD2 LEU 64 15.109 -7.217 12.217 518 H ASP 65 H ASP 65 15.523 -7.903 7.291 519 HA ASP 65 HA ASP 65 16.929 -9.970 5.952 520 HB2 ASP 65 2HB ASP 65 15.635 -7.451 5.266 521 HB3 ASP 65 1HB ASP 65 17.111 -7.692 4.369 522 H LYS 66 H LYS 66 18.766 -9.409 4.608 523 HA LYS 66 HA LYS 66 21.191 -9.197 5.773 524 HB2 LYS 66 2HB LYS 66 22.071 -8.464 3.622 525 HB3 LYS 66 1HB LYS 66 20.809 -9.672 3.371 526 HG2 LYS 66 2HG LYS 66 20.024 -6.731 3.347 527 HG3 LYS 66 1HG LYS 66 20.836 -7.417 1.974 528 HD2 LYS 66 2HD LYS 66 19.147 -9.038 1.595 529 HD3 LYS 66 1HD LYS 66 18.328 -8.726 3.109 530 HE2 LYS 66 2HE LYS 66 17.734 -6.538 2.427 531 HE3 LYS 66 1HE LYS 66 18.617 -6.673 0.879 532 HZ1 LYS 66 3HZ LYS 66 16.203 -7.085 0.708 533 HZ2 LYS 66 1HZ LYS 66 16.317 -8.364 1.791 534 HZ3 LYS 66 2HZ LYS 66 17.074 -8.453 0.276 535 H GLU 67 H GLU 67 18.953 -6.630 5.206 536 HA GLU 67 HA GLU 67 20.654 -4.405 5.349 537 HB2 GLU 67 2HB GLU 67 17.710 -4.747 5.997 538 HB3 GLU 67 1HB GLU 67 18.540 -3.195 6.019 539 HG2 GLU 67 2HG GLU 67 19.170 -3.437 3.680 540 HG3 GLU 67 1HG GLU 67 18.470 -5.041 3.613 541 H GLY 68 H GLY 68 19.095 -6.381 7.818 542 HA2 GLY 68 2HA GLY 68 19.755 -6.582 10.051 543 HA3 GLY 68 1HA GLY 68 20.788 -5.167 9.863 544 H ARG 69 H ARG 69 17.701 -5.009 8.506 545 HA ARG 69 HA ARG 69 16.666 -3.335 10.705 546 HB2 ARG 69 2HB ARG 69 16.194 -3.016 7.724 547 HB3 ARG 69 1HB ARG 69 15.634 -1.931 8.995 548 HG2 ARG 69 2HG ARG 69 18.581 -2.483 8.503 549 HG3 ARG 69 1HG ARG 69 17.721 -1.182 7.701 550 HD2 ARG 69 2HD ARG 69 17.224 -0.114 9.703 551 HD3 ARG 69 1HD ARG 69 17.754 -1.473 10.721 552 HE ARG 69 HE ARG 69 20.017 -0.924 10.096 553 HH11 ARG 69 1HH2 ARG 69 17.578 1.523 9.073 554 HH12 ARG 69 2HH2 ARG 69 18.782 2.642 8.715 555 HH21 ARG 69 1HH1 ARG 69 21.534 0.678 9.574 556 HH22 ARG 69 2HH1 ARG 69 21.033 2.204 8.986 557 H THR 70 H THR 70 14.523 -3.860 11.195 558 HA THR 70 HA THR 70 13.469 -6.325 10.215 559 HB THR 70 HB THR 70 11.847 -4.253 11.660 560 HG1 THR 70 1HG THR 70 13.453 -4.396 13.091 561 HG21 THR 70 3HG2 THR 70 10.743 -6.284 10.839 562 HG22 THR 70 1HG2 THR 70 10.731 -6.139 12.591 563 HG23 THR 70 2HG2 THR 70 11.845 -7.277 11.820 564 H HIS 71 H HIS 71 12.781 -6.506 8.223 565 HA HIS 71 HA HIS 71 11.845 -4.249 6.680 566 HB2 HIS 71 2HB HIS 71 13.379 -6.284 6.022 567 HB3 HIS 71 1HB HIS 71 11.852 -7.067 5.682 568 HD1 HIS 71 1HD HIS 71 14.346 -4.839 4.163 569 HD2 HIS 71 2HD HIS 71 10.196 -5.395 3.660 570 HE1 HIS 71 1HE HIS 71 13.720 -3.915 1.908 571 HE2 HIS 71 2HE HIS 71 11.224 -4.277 1.582 572 H HIS 72 H HIS 72 9.814 -3.786 6.179 573 HA HIS 72 HA HIS 72 7.599 -5.544 7.025 574 HB2 HIS 72 2HB HIS 72 7.832 -2.595 6.389 575 HB3 HIS 72 1HB HIS 72 6.295 -3.397 6.250 576 HD1 HIS 72 1HD HIS 72 4.907 -3.288 8.339 577 HD2 HIS 72 2HD HIS 72 9.011 -3.157 9.162 578 HE1 HIS 72 1HE HIS 72 5.126 -3.007 10.833 579 HE2 HIS 72 2HE HIS 72 7.615 -2.877 11.370 580 H TYR 73 H TYR 73 6.419 -6.529 5.475 581 HA TYR 73 HA TYR 73 6.530 -5.518 2.711 582 HB2 TYR 73 2HB TYR 73 6.259 -8.436 3.536 583 HB3 TYR 73 1HB TYR 73 6.172 -7.814 1.914 584 HD1 TYR 73 1HD TYR 73 8.510 -8.339 4.791 585 HD2 TYR 73 2HD TYR 73 8.123 -7.098 0.666 586 HE1 TYR 73 1HE TYR 73 10.929 -8.377 4.537 587 HE2 TYR 73 2HE TYR 73 10.563 -7.155 0.442 588 HH TYR 73 HH TYR 73 12.562 -6.907 2.672 589 H MET 74 H MET 74 4.685 -4.329 2.879 590 HA MET 74 HA MET 74 2.261 -5.709 3.884 591 HB2 MET 74 2HB MET 74 3.085 -3.947 5.384 592 HB3 MET 74 1HB MET 74 3.009 -2.768 4.092 593 HG2 MET 74 2HG MET 74 0.513 -3.240 3.900 594 HG3 MET 74 1HG MET 74 0.691 -4.325 5.270 595 HE1 MET 74 3HE MET 74 2.518 -0.524 4.992 596 HE2 MET 74 1HE MET 74 0.876 0.133 4.951 597 HE3 MET 74 2HE MET 74 1.379 -1.073 3.772 598 H ARG 75 H ARG 75 0.514 -5.712 2.687 599 HA ARG 75 HA ARG 75 0.288 -3.819 0.490 600 HB2 ARG 75 2HB ARG 75 -0.702 -5.609 -0.931 601 HB3 ARG 75 1HB ARG 75 1.023 -5.818 -0.667 602 HG2 ARG 75 2HG ARG 75 0.650 -7.501 1.021 603 HG3 ARG 75 1HG ARG 75 -1.075 -7.217 1.045 604 HD2 ARG 75 2HD ARG 75 -0.655 -9.194 -0.270 605 HD3 ARG 75 1HD ARG 75 -1.192 -7.931 -1.360 606 HE ARG 75 HE ARG 75 1.681 -8.021 -1.109 607 HH11 ARG 75 1HH2 ARG 75 -1.094 -9.467 -2.699 608 HH12 ARG 75 2HH2 ARG 75 -0.193 -10.068 -4.003 609 HH21 ARG 75 1HH1 ARG 75 2.874 -8.851 -2.874 610 HH22 ARG 75 2HH1 ARG 75 2.072 -9.707 -4.126 611 H PHE 76 H PHE 76 -1.843 -3.231 0.078 612 HA PHE 76 HA PHE 76 -3.956 -4.644 1.378 613 HB2 PHE 76 2HB PHE 76 -4.865 -2.713 2.634 614 HB3 PHE 76 1HB PHE 76 -3.343 -3.302 3.276 615 HD1 PHE 76 1HD PHE 76 -5.007 -0.548 1.450 616 HD2 PHE 76 2HD PHE 76 -1.295 -1.970 3.094 617 HE1 PHE 76 1HE PHE 76 -4.030 1.726 1.249 618 HE2 PHE 76 2HE PHE 76 -0.332 0.292 2.884 619 HZ PHE 76 HZ PHE 76 -1.700 2.143 1.963 620 H HIS 77 H HIS 77 -6.090 -3.812 0.898 621 HA HIS 77 HA HIS 77 -6.078 -2.676 -1.804 622 HB2 HIS 77 2HB HIS 77 -7.670 -4.819 -0.515 623 HB3 HIS 77 1HB HIS 77 -8.569 -3.710 -1.527 624 HD1 HIS 77 1HD HIS 77 -5.324 -5.872 -1.866 625 HD2 HIS 77 2HD HIS 77 -8.411 -4.247 -4.213 626 HE1 HIS 77 1HE HIS 77 -5.023 -6.741 -4.186 627 HE2 HIS 77 2HE HIS 77 -6.847 -5.767 -5.635 628 H VAL 78 H VAL 78 -7.438 -1.065 -2.345 629 HA VAL 78 HA VAL 78 -8.939 0.217 -0.184 630 HB VAL 78 HB VAL 78 -6.940 1.514 -0.295 631 HG11 VAL 78 1HG1 VAL 78 -6.050 2.394 -2.447 632 HG12 VAL 78 2HG1 VAL 78 -7.279 1.462 -3.298 633 HG13 VAL 78 3HG1 VAL 78 -6.021 0.628 -2.390 634 HG21 VAL 78 3HG2 VAL 78 -8.854 2.972 -2.167 635 HG22 VAL 78 1HG2 VAL 78 -7.712 3.683 -1.044 636 HG23 VAL 78 2HG2 VAL 78 -9.129 2.851 -0.431 637 H GLU 79 H GLU 79 -10.744 1.345 -0.837 638 HA GLU 79 HA GLU 79 -11.667 0.630 -3.540 639 HB2 GLU 79 2HB GLU 79 -13.193 1.260 -1.021 640 HB3 GLU 79 1HB GLU 79 -13.956 1.305 -2.606 641 HG2 GLU 79 2HG GLU 79 -13.334 -0.957 -3.045 642 HG3 GLU 79 1HG GLU 79 -12.472 -1.147 -1.540 643 H SER 80 H SER 80 -11.612 2.090 -4.980 644 HA SER 80 HA SER 80 -11.156 4.852 -4.268 645 HB2 SER 80 2HB SER 80 -11.528 4.122 -7.111 646 HB3 SER 80 1HB SER 80 -10.287 5.050 -6.290 647 HG SER 80 HG SER 80 -10.604 2.235 -6.316 648 H LYS 81 H LYS 81 -12.396 6.338 -5.989 649 HA LYS 81 HA LYS 81 -15.076 6.303 -5.104 650 HB2 LYS 81 2HB LYS 81 -13.978 7.794 -7.493 651 HB3 LYS 81 1HB LYS 81 -15.418 8.187 -6.580 652 HG2 LYS 81 2HG LYS 81 -12.543 8.354 -5.594 653 HG3 LYS 81 1HG LYS 81 -13.682 9.667 -5.896 654 HD2 LYS 81 2HD LYS 81 -15.005 7.966 -4.092 655 HD3 LYS 81 1HD LYS 81 -13.363 8.056 -3.489 656 HE2 LYS 81 2HE LYS 81 -13.766 10.723 -4.052 657 HE3 LYS 81 1HE LYS 81 -15.403 10.199 -3.686 658 HZ1 LYS 81 3HZ LYS 81 -14.748 9.529 -1.488 659 HZ2 LYS 81 1HZ LYS 81 -14.233 11.064 -1.889 660 HZ3 LYS 81 2HZ LYS 81 -13.092 9.826 -1.831 661 H LYS 82 H LYS 82 -13.461 4.989 -7.878 662 HA LYS 82 HA LYS 82 -16.068 4.013 -8.937 663 HB2 LYS 82 2HB LYS 82 -13.685 4.856 -10.599 664 HB3 LYS 82 1HB LYS 82 -15.288 4.416 -11.165 665 HG2 LYS 82 2HG LYS 82 -14.794 6.760 -9.295 666 HG3 LYS 82 1HG LYS 82 -14.922 6.905 -11.043 667 HD2 LYS 82 2HD LYS 82 -17.177 6.402 -11.082 668 HD3 LYS 82 1HD LYS 82 -17.152 5.442 -9.619 669 HE2 LYS 82 2HE LYS 82 -16.450 8.229 -9.042 670 HE3 LYS 82 1HE LYS 82 -17.982 8.117 -9.895 671 HZ1 LYS 82 3HZ LYS 82 -18.825 6.615 -8.308 672 HZ2 LYS 82 1HZ LYS 82 -18.188 7.840 -7.359 673 HZ3 LYS 82 2HZ LYS 82 -17.358 6.399 -7.546 674 H LYS 83 H LYS 83 -12.907 3.102 -7.966 675 HA LYS 83 HA LYS 83 -13.375 0.323 -8.830 676 HB2 LYS 83 2HB LYS 83 -10.819 1.845 -9.470 677 HB3 LYS 83 1HB LYS 83 -11.139 0.124 -9.697 678 HG2 LYS 83 2HG LYS 83 -12.786 2.295 -11.040 679 HG3 LYS 83 1HG LYS 83 -11.426 1.492 -11.791 680 HD2 LYS 83 2HD LYS 83 -12.460 -0.606 -11.814 681 HD3 LYS 83 1HD LYS 83 -13.685 -0.172 -10.646 682 HE2 LYS 83 2HE LYS 83 -13.706 1.567 -13.026 683 HE3 LYS 83 1HE LYS 83 -14.026 -0.129 -13.383 684 HZ1 LYS 83 3HZ LYS 83 -16.029 1.212 -12.779 685 HZ2 LYS 83 1HZ LYS 83 -15.397 1.339 -11.203 686 HZ3 LYS 83 2HZ LYS 83 -15.772 -0.182 -11.856 687 H ILE 84 H ILE 84 -11.586 -1.113 -7.978 688 HA ILE 84 HA ILE 84 -11.011 -0.362 -5.174 689 HB ILE 84 HB ILE 84 -11.055 -3.107 -6.463 690 HG12 ILE 84 2HG1 ILE 84 -13.132 -1.871 -4.643 691 HG13 ILE 84 1HG1 ILE 84 -13.307 -1.896 -6.391 692 HG21 ILE 84 1HG2 ILE 84 -10.848 -3.960 -4.266 693 HG22 ILE 84 2HG2 ILE 84 -11.264 -2.418 -3.539 694 HG23 ILE 84 3HG2 ILE 84 -9.690 -2.627 -4.300 695 HD11 ILE 84 3HD1 ILE 84 -12.569 -4.506 -5.317 696 HD12 ILE 84 1HD1 ILE 84 -13.878 -4.040 -6.403 697 HD13 ILE 84 2HD1 ILE 84 -14.098 -3.894 -4.655 698 H ALA 85 H ALA 85 -8.914 -0.003 -4.694 699 HA ALA 85 HA ALA 85 -6.894 -0.768 -6.726 700 HB1 ALA 85 1HB ALA 85 -7.468 1.761 -5.508 701 HB2 ALA 85 2HB ALA 85 -6.291 1.371 -6.755 702 HB3 ALA 85 3HB ALA 85 -5.835 1.259 -5.059 703 H LEU 86 H LEU 86 -4.801 -1.243 -6.041 704 HA LEU 86 HA LEU 86 -4.647 -2.519 -3.382 705 HB2 LEU 86 2HB LEU 86 -4.485 -4.253 -4.860 706 HB3 LEU 86 1HB LEU 86 -3.627 -3.361 -6.078 707 HG LEU 86 HG LEU 86 -1.641 -3.262 -4.441 708 HD11 LEU 86 1HD1 LEU 86 -1.950 -5.400 -2.844 709 HD12 LEU 86 2HD1 LEU 86 -3.606 -4.775 -2.830 710 HD13 LEU 86 3HD1 LEU 86 -2.259 -3.746 -2.342 711 HD21 LEU 86 3HD2 LEU 86 -1.033 -5.680 -4.832 712 HD22 LEU 86 1HD2 LEU 86 -1.578 -4.811 -6.271 713 HD23 LEU 86 2HD2 LEU 86 -2.681 -5.905 -5.445 714 H VAL 87 H VAL 87 -3.088 -1.887 -2.028 715 HA VAL 87 HA VAL 87 -1.003 -0.081 -3.096 716 HB VAL 87 HB VAL 87 -2.159 -0.168 -0.309 717 HG11 VAL 87 1HG1 VAL 87 0.052 1.375 -1.621 718 HG12 VAL 87 2HG1 VAL 87 -0.044 0.701 0.005 719 HG13 VAL 87 3HG1 VAL 87 -0.919 2.177 -0.385 720 HG21 VAL 87 3HG2 VAL 87 -2.798 1.506 -2.739 721 HG22 VAL 87 1HG2 VAL 87 -2.925 2.240 -1.138 722 HG23 VAL 87 2HG2 VAL 87 -3.884 0.824 -1.532 723 H HIS 88 H HIS 88 1.011 -0.761 -2.886 724 HA HIS 88 HA HIS 88 1.591 -3.059 -1.103 725 HB2 HIS 88 2HB HIS 88 1.655 -3.327 -3.716 726 HB3 HIS 88 1HB HIS 88 3.167 -2.440 -3.565 727 HD1 HIS 88 1HD HIS 88 3.876 -4.994 -4.552 728 HD2 HIS 88 2HD HIS 88 3.007 -4.614 -0.482 729 HE1 HIS 88 1HE HIS 88 4.916 -6.998 -3.393 730 HE2 HIS 88 2HE HIS 88 4.391 -6.785 -0.921 731 H LEU 89 H LEU 89 2.998 -2.531 0.517 732 HA LEU 89 HA LEU 89 4.970 -0.417 -0.030 733 HB2 LEU 89 2HB LEU 89 3.064 0.520 1.203 734 HB3 LEU 89 1HB LEU 89 3.330 -0.646 2.495 735 HG LEU 89 HG LEU 89 5.691 1.006 1.637 736 HD11 LEU 89 1HD1 LEU 89 3.388 2.398 2.094 737 HD12 LEU 89 2HD1 LEU 89 5.008 2.981 2.449 738 HD13 LEU 89 3HD1 LEU 89 4.043 2.269 3.728 739 HD21 LEU 89 3HD2 LEU 89 6.510 0.237 3.579 740 HD22 LEU 89 1HD2 LEU 89 5.106 -0.813 3.725 741 HD23 LEU 89 2HD2 LEU 89 5.098 0.766 4.489 742 H GLU 90 H GLU 90 6.960 -0.742 0.653 743 HA GLU 90 HA GLU 90 7.437 -2.828 2.650 744 HB2 GLU 90 2HB GLU 90 9.223 -2.099 0.332 745 HB3 GLU 90 1HB GLU 90 9.834 -2.895 1.763 746 HG2 GLU 90 2HG GLU 90 8.291 -4.735 1.452 747 HG3 GLU 90 1HG GLU 90 7.603 -4.028 0.009 748 H ALA 91 H ALA 91 8.630 -2.264 4.347 749 HA ALA 91 HA ALA 91 10.136 0.214 4.381 750 HB1 ALA 91 1HB ALA 91 9.008 1.257 6.164 751 HB2 ALA 91 2HB ALA 91 8.182 -0.224 6.619 752 HB3 ALA 91 3HB ALA 91 7.674 0.655 5.184 753 H LYS 92 H LYS 92 11.648 0.239 6.137 754 HA LYS 92 HA LYS 92 11.769 -2.340 7.530 755 HB2 LYS 92 2HB LYS 92 14.224 -2.299 7.435 756 HB3 LYS 92 1HB LYS 92 13.489 -2.500 5.862 757 HG2 LYS 92 2HG LYS 92 13.753 -0.004 5.489 758 HG3 LYS 92 1HG LYS 92 14.660 0.070 6.999 759 HD2 LYS 92 2HD LYS 92 16.284 -1.559 6.134 760 HD3 LYS 92 1HD LYS 92 15.368 -1.674 4.638 761 HE2 LYS 92 2HE LYS 92 15.776 0.720 4.189 762 HE3 LYS 92 1HE LYS 92 16.703 0.848 5.681 763 HZ1 LYS 92 3HZ LYS 92 18.432 -0.328 4.813 764 HZ2 LYS 92 1HZ LYS 92 17.869 0.341 3.378 765 HZ3 LYS 92 2HZ LYS 92 17.456 -1.243 3.745 766 H GLU 93 H GLU 93 11.842 -2.282 9.605 767 HA GLU 93 HA GLU 93 11.719 0.236 10.993 768 HB2 GLU 93 2HB GLU 93 12.133 -2.513 12.179 769 HB3 GLU 93 1HB GLU 93 11.484 -1.078 12.948 770 HG2 GLU 93 2HG GLU 93 9.535 -1.048 11.421 771 HG3 GLU 93 1HG GLU 93 10.169 -2.466 10.598 772 H SER 94 H SER 94 13.465 1.449 11.013 773 HA SER 94 HA SER 94 15.990 0.204 10.972 774 HB2 SER 94 2HB SER 94 15.130 3.058 10.771 775 HB3 SER 94 1HB SER 94 16.804 2.685 11.167 776 HG SER 94 HG SER 94 15.646 2.655 8.794 777 H LYS 95 H LYS 95 17.786 0.849 12.288 778 HA LYS 95 HA LYS 95 17.426 -0.308 14.784 779 HB2 LYS 95 2HB LYS 95 19.644 1.563 14.009 780 HB3 LYS 95 1HB LYS 95 19.719 0.290 15.200 781 HG2 LYS 95 2HG LYS 95 19.421 -0.025 12.184 782 HG3 LYS 95 1HG LYS 95 20.794 -0.474 13.172 783 HD2 LYS 95 2HD LYS 95 18.116 -1.766 13.794 784 HD3 LYS 95 1HD LYS 95 19.041 -2.303 12.421 785 HE2 LYS 95 2HE LYS 95 20.088 -2.135 15.231 786 HE3 LYS 95 1HE LYS 95 19.577 -3.611 14.360 787 HZ1 LYS 95 3HZ LYS 95 21.810 -3.633 13.936 788 HZ2 LYS 95 1HZ LYS 95 21.993 -1.978 14.056 789 HZ3 LYS 95 2HZ LYS 95 21.379 -2.656 12.631 790 H GLN 96 H GLN 96 17.862 3.071 13.966 791 HA GLN 96 HA GLN 96 17.681 3.804 16.770 792 HB2 GLN 96 2HB GLN 96 18.224 5.517 14.378 793 HB3 GLN 96 1HB GLN 96 18.619 5.888 16.063 794 HG2 GLN 96 2HG GLN 96 20.634 4.877 15.771 795 HG3 GLN 96 1HG GLN 96 19.829 3.341 15.493 796 HE21 GLN 96 1HE2 GLN 96 21.951 3.288 14.027 797 HE22 GLN 96 2HE2 GLN 96 21.714 3.804 12.430 798 H ASN 97 H ASN 97 15.850 4.157 13.814 799 HA ASN 97 HA ASN 97 13.997 6.052 15.022 800 HB2 ASN 97 2HB ASN 97 14.520 6.099 12.535 801 HB3 ASN 97 1HB ASN 97 13.622 4.570 12.449 802 HD21 ASN 97 1HD2 ASN 97 11.987 5.668 11.071 803 HD22 ASN 97 2HD2 ASN 97 10.834 6.675 11.773 804 H TYR 98 H TYR 98 12.001 5.638 15.740 805 HA TYR 98 HA TYR 98 11.386 3.090 16.810 806 HB2 TYR 98 2HB TYR 98 9.591 5.481 16.320 807 HB3 TYR 98 1HB TYR 98 9.191 4.089 17.310 808 HD1 TYR 98 1HD TYR 98 11.516 6.952 16.985 809 HD2 TYR 98 2HD TYR 98 10.099 3.779 19.506 810 HE1 TYR 98 1HE TYR 98 12.696 7.957 18.910 811 HE2 TYR 98 2HE TYR 98 11.278 4.769 21.429 812 HH TYR 98 HH TYR 98 12.897 7.910 21.148 813 H GLN 99 H GLN 99 10.136 4.870 14.013 814 HA GLN 99 HA GLN 99 8.629 2.510 13.157 815 HB2 GLN 99 2HB GLN 99 8.508 5.425 12.413 816 HB3 GLN 99 1HB GLN 99 7.676 4.210 11.469 817 HG2 GLN 99 2HG GLN 99 7.266 4.090 14.431 818 HG3 GLN 99 1HG GLN 99 6.520 5.429 13.572 819 HE21 GLN 99 1HE2 GLN 99 6.749 1.825 13.448 820 HE22 GLN 99 2HE2 GLN 99 5.227 1.637 12.741 821 HA PRO 100 HA PRO 100 11.440 1.578 9.890 822 HB2 PRO 100 2HB PRO 100 9.861 0.532 8.043 823 HB3 PRO 100 1HB PRO 100 10.073 -0.290 9.594 824 HG2 PRO 100 2HG PRO 100 7.825 1.434 8.695 825 HG3 PRO 100 1HG PRO 100 7.781 -0.108 9.582 826 HD2 PRO 100 2HD PRO 100 7.490 2.280 10.841 827 HD3 PRO 100 1HD PRO 100 8.243 0.870 11.622 828 H ASP 101 H ASP 101 12.286 2.201 8.037 829 HA ASP 101 HA ASP 101 11.385 4.739 6.919 830 HB2 ASP 101 2HB ASP 101 13.662 2.897 6.094 831 HB3 ASP 101 1HB ASP 101 13.366 4.518 5.462 832 H PHE 102 H PHE 102 10.255 4.887 4.982 833 HA PHE 102 HA PHE 102 9.114 2.431 3.970 834 HB2 PHE 102 2HB PHE 102 8.760 5.303 3.081 835 HB3 PHE 102 1HB PHE 102 7.880 3.925 2.430 836 HD1 PHE 102 1HD PHE 102 6.557 2.453 4.023 837 HD2 PHE 102 2HD PHE 102 8.017 6.335 5.126 838 HE1 PHE 102 1HE PHE 102 4.923 2.540 5.890 839 HE2 PHE 102 2HE PHE 102 6.397 6.421 6.988 840 HZ PHE 102 HZ PHE 102 4.845 4.518 7.372 841 H ILE 103 H ILE 103 10.589 1.253 2.953 842 HA ILE 103 HA ILE 103 12.613 2.194 1.204 843 HB ILE 103 HB ILE 103 11.368 -0.534 1.572 844 HG12 ILE 103 2HG1 ILE 103 14.051 0.544 2.487 845 HG13 ILE 103 1HG1 ILE 103 12.621 0.531 3.521 846 HG21 ILE 103 1HG2 ILE 103 12.384 -0.576 -0.598 847 HG22 ILE 103 2HG2 ILE 103 13.563 -1.285 0.503 848 HG23 ILE 103 3HG2 ILE 103 13.764 0.372 -0.041 849 HD11 ILE 103 3HD1 ILE 103 13.211 -1.568 4.094 850 HD12 ILE 103 1HD1 ILE 103 14.380 -1.675 2.772 851 HD13 ILE 103 2HD1 ILE 103 12.680 -2.019 2.482 852 H ASN 104 H ASN 104 9.443 0.708 0.663 853 HA ASN 104 HA ASN 104 9.362 1.764 -2.076 854 HB2 ASN 104 2HB ASN 104 10.420 -0.428 -2.327 855 HB3 ASN 104 1HB ASN 104 9.145 -1.172 -1.382 856 HD21 ASN 104 1HD2 ASN 104 10.075 -0.942 -4.479 857 HD22 ASN 104 2HD2 ASN 104 8.579 -0.978 -5.270 858 H MET 105 H MET 105 7.272 2.144 -2.764 859 HA MET 105 HA MET 105 5.137 0.747 -1.666 860 HB2 MET 105 2HB MET 105 4.295 2.042 -0.046 861 HB3 MET 105 1HB MET 105 5.835 2.885 -0.043 862 HG2 MET 105 2HG MET 105 4.226 4.590 -0.248 863 HG3 MET 105 1HG MET 105 4.809 4.370 -1.884 864 HE1 MET 105 3HE MET 105 0.822 3.263 0.012 865 HE2 MET 105 1HE MET 105 2.329 3.818 0.755 866 HE3 MET 105 2HE MET 105 2.117 2.129 0.298 867 H TYR 106 H TYR 106 3.555 0.589 -3.129 868 HA TYR 106 HA TYR 106 3.147 2.766 -5.010 869 HB2 TYR 106 2HB TYR 106 3.323 1.373 -7.012 870 HB3 TYR 106 1HB TYR 106 4.838 1.387 -6.123 871 HD1 TYR 106 1HD TYR 106 1.876 -0.645 -7.032 872 HD2 TYR 106 2HD TYR 106 5.686 -0.617 -5.023 873 HE1 TYR 106 1HE TYR 106 1.851 -3.096 -6.961 874 HE2 TYR 106 2HE TYR 106 5.657 -3.077 -4.946 875 HH TYR 106 HH TYR 106 2.913 -4.929 -6.309 876 H VAL 107 H VAL 107 1.283 2.526 -6.335 877 HA VAL 107 HA VAL 107 -0.832 0.993 -4.944 878 HB VAL 107 HB VAL 107 -0.885 3.703 -6.277 879 HG11 VAL 107 1HG1 VAL 107 -3.140 2.018 -5.186 880 HG12 VAL 107 2HG1 VAL 107 -2.955 2.673 -6.817 881 HG13 VAL 107 3HG1 VAL 107 -3.260 3.755 -5.467 882 HG21 VAL 107 3HG2 VAL 107 -1.620 4.395 -3.973 883 HG22 VAL 107 1HG2 VAL 107 0.040 3.812 -4.047 884 HG23 VAL 107 2HG2 VAL 107 -1.233 2.772 -3.414 885 H ASP 108 H ASP 108 -1.853 -0.440 -6.142 886 HA ASP 108 HA ASP 108 -1.545 -0.420 -9.074 887 HB2 ASP 108 2HB ASP 108 -0.978 -2.531 -7.573 888 HB3 ASP 108 1HB ASP 108 -2.701 -2.604 -7.424 889 H VAL 109 H VAL 109 -3.157 0.679 -9.992 890 HA VAL 109 HA VAL 109 -5.855 0.453 -8.854 891 HB VAL 109 HB VAL 109 -4.715 2.510 -10.756 892 HG11 VAL 109 1HG1 VAL 109 -7.364 2.536 -9.253 893 HG12 VAL 109 2HG1 VAL 109 -7.214 2.110 -10.961 894 HG13 VAL 109 3HG1 VAL 109 -6.808 3.721 -10.421 895 HG21 VAL 109 3HG2 VAL 109 -4.670 2.262 -7.846 896 HG22 VAL 109 1HG2 VAL 109 -5.479 3.745 -8.355 897 HG23 VAL 109 2HG2 VAL 109 -3.839 3.414 -8.887 898 HA PRO 110 HA PRO 110 -6.731 -2.262 -12.262 899 HB2 PRO 110 2HB PRO 110 -9.427 -2.196 -12.194 900 HB3 PRO 110 1HB PRO 110 -8.468 -3.046 -10.966 901 HG2 PRO 110 2HG PRO 110 -9.687 -0.344 -10.861 902 HG3 PRO 110 1HG PRO 110 -9.702 -1.626 -9.620 903 HD2 PRO 110 2HD PRO 110 -8.003 0.457 -9.446 904 HD3 PRO 110 1HD PRO 110 -7.522 -1.171 -8.928 905 H GLY 111 H GLY 111 -7.108 -2.008 -14.431 906 HA2 GLY 111 2HA GLY 111 -7.616 -0.998 -16.456 907 HA3 GLY 111 1HA GLY 111 -8.646 0.135 -15.586 908 H GLU 112 H GLU 112 -6.425 0.900 -13.743 909 HA GLU 112 HA GLU 112 -5.106 2.823 -15.519 910 HB2 GLU 112 2HB GLU 112 -5.273 2.680 -12.516 911 HB3 GLU 112 1HB GLU 112 -4.615 4.023 -13.451 912 HG2 GLU 112 2HG GLU 112 -7.475 3.036 -13.451 913 HG3 GLU 112 1HG GLU 112 -6.911 4.520 -12.725 914 H LYS 113 H LYS 113 -2.816 3.359 -14.869 915 HA LYS 113 HA LYS 113 -1.284 0.900 -14.745 916 HB2 LYS 113 2HB LYS 113 -0.264 3.727 -14.906 917 HB3 LYS 113 1HB LYS 113 0.580 2.253 -15.390 918 HG2 LYS 113 2HG LYS 113 -1.756 3.623 -16.745 919 HG3 LYS 113 1HG LYS 113 -0.186 3.201 -17.433 920 HD2 LYS 113 2HD LYS 113 -0.896 0.762 -16.808 921 HD3 LYS 113 1HD LYS 113 -2.520 1.400 -16.823 922 HE2 LYS 113 2HE LYS 113 -0.567 1.330 -19.127 923 HE3 LYS 113 1HE LYS 113 -2.178 0.642 -19.045 924 HZ1 LYS 113 3HZ LYS 113 -1.913 2.836 -20.280 925 HZ2 LYS 113 1HZ LYS 113 -1.816 3.587 -18.785 926 HZ3 LYS 113 2HZ LYS 113 -3.188 2.732 -19.190 927 H ARG 114 H ARG 114 0.148 0.378 -13.171 928 HA ARG 114 HA ARG 114 -0.492 1.046 -10.527 929 HB2 ARG 114 2HB ARG 114 1.866 0.030 -10.047 930 HB3 ARG 114 1HB ARG 114 0.570 -0.995 -10.642 931 HG2 ARG 114 2HG ARG 114 1.980 0.247 -12.888 932 HG3 ARG 114 1HG ARG 114 3.097 -0.540 -11.815 933 HD2 ARG 114 2HD ARG 114 2.312 -2.670 -12.244 934 HD3 ARG 114 1HD ARG 114 0.647 -2.128 -12.371 935 HE ARG 114 HE ARG 114 2.231 -1.222 -14.586 936 HH11 ARG 114 1HH2 ARG 114 0.598 -3.972 -13.241 937 HH12 ARG 114 2HH2 ARG 114 0.251 -4.717 -14.736 938 HH21 ARG 114 1HH1 ARG 114 1.798 -2.187 -16.623 939 HH22 ARG 114 2HH1 ARG 114 0.957 -3.664 -16.724 940 H TYR 115 H TYR 115 0.145 2.547 -9.167 941 HA TYR 115 HA TYR 115 1.995 4.592 -10.173 942 HB2 TYR 115 2HB TYR 115 -0.354 5.193 -9.533 943 HB3 TYR 115 1HB TYR 115 0.042 4.786 -7.873 944 HD1 TYR 115 1HD TYR 115 0.675 7.153 -10.651 945 HD2 TYR 115 2HD TYR 115 1.491 6.225 -6.528 946 HE1 TYR 115 1HE TYR 115 1.583 9.418 -10.317 947 HE2 TYR 115 2HE TYR 115 2.404 8.500 -6.204 948 HH TYR 115 HH TYR 115 2.080 10.976 -8.654 949 H TYR 116 H TYR 116 3.966 4.827 -9.215 950 HA TYR 116 HA TYR 116 4.459 3.383 -6.697 951 HB2 TYR 116 2HB TYR 116 6.297 4.376 -8.870 952 HB3 TYR 116 1HB TYR 116 6.895 3.997 -7.264 953 HD1 TYR 116 1HD TYR 116 4.804 2.512 -10.005 954 HD2 TYR 116 2HD TYR 116 7.431 1.788 -6.677 955 HE1 TYR 116 1HE TYR 116 4.804 0.089 -10.521 956 HE2 TYR 116 2HE TYR 116 7.428 -0.621 -7.199 957 HH TYR 116 HH TYR 116 5.432 -2.174 -8.625 958 H LEU 117 H LEU 117 3.735 4.626 -5.163 959 HA LEU 117 HA LEU 117 4.033 7.440 -5.006 960 HB2 LEU 117 2HB LEU 117 2.319 6.275 -3.734 961 HB3 LEU 117 1HB LEU 117 3.526 5.382 -2.840 962 HG LEU 117 HG LEU 117 4.418 7.526 -1.917 963 HD11 LEU 117 1HD1 LEU 117 2.616 8.650 -3.942 964 HD12 LEU 117 2HD1 LEU 117 4.005 9.354 -3.120 965 HD13 LEU 117 3HD1 LEU 117 2.422 9.354 -2.336 966 HD21 LEU 117 3HD2 LEU 117 2.939 7.428 -0.225 967 HD22 LEU 117 1HD2 LEU 117 2.092 6.195 -1.153 968 HD23 LEU 117 2HD2 LEU 117 1.574 7.873 -1.253 969 H ILE 118 H ILE 118 5.900 4.703 -3.740 970 HA ILE 118 HA ILE 118 8.092 6.598 -3.145 971 HB ILE 118 HB ILE 118 7.343 4.085 -1.643 972 HG12 ILE 118 2HG1 ILE 118 7.382 7.000 -0.732 973 HG13 ILE 118 1HG1 ILE 118 5.939 6.104 -1.172 974 HG21 ILE 118 1HG2 ILE 118 9.222 4.544 -0.199 975 HG22 ILE 118 2HG2 ILE 118 9.586 6.034 -1.046 976 HG23 ILE 118 3HG2 ILE 118 9.848 4.484 -1.842 977 HD11 ILE 118 3HD1 ILE 118 7.507 6.006 1.278 978 HD12 ILE 118 1HD1 ILE 118 7.187 4.405 0.619 979 HD13 ILE 118 2HD1 ILE 118 5.844 5.493 0.998 980 H LYS 119 H LYS 119 9.873 6.287 -4.195 981 HA LYS 119 HA LYS 119 10.171 3.897 -5.830 982 HB2 LYS 119 2HB LYS 119 12.179 6.068 -6.069 983 HB3 LYS 119 1HB LYS 119 11.355 5.148 -7.312 984 HG2 LYS 119 2HG LYS 119 10.097 7.399 -5.691 985 HG3 LYS 119 1HG LYS 119 10.706 7.499 -7.335 986 HD2 LYS 119 2HD LYS 119 9.078 5.576 -7.929 987 HD3 LYS 119 1HD LYS 119 8.317 5.884 -6.378 988 HE2 LYS 119 2HE LYS 119 7.461 7.086 -8.563 989 HE3 LYS 119 1HE LYS 119 7.471 7.931 -7.025 990 HZ1 LYS 119 3HZ LYS 119 8.491 9.208 -8.899 991 HZ2 LYS 119 1HZ LYS 119 9.689 8.049 -9.010 992 HZ3 LYS 119 2HZ LYS 119 9.517 9.022 -7.611 993 HA PRO 120 HA PRO 120 13.075 2.499 -2.644 994 HB2 PRO 120 2HB PRO 120 13.803 0.216 -3.760 995 HB3 PRO 120 1HB PRO 120 12.198 0.413 -3.025 996 HG2 PRO 120 2HG PRO 120 12.931 0.622 -5.930 997 HG3 PRO 120 1HG PRO 120 11.578 -0.267 -5.217 998 HD2 PRO 120 2HD PRO 120 11.258 2.149 -6.327 999 HD3 PRO 120 1HD PRO 120 10.321 1.688 -4.885 1000 H LYS 121 H LYS 121 15.280 2.447 -2.443 1001 HA LYS 121 HA LYS 121 16.867 3.765 -4.384 1002 HB2 LYS 121 2HB LYS 121 18.633 3.633 -2.823 1003 HB3 LYS 121 1HB LYS 121 17.189 3.788 -1.835 1004 HG2 LYS 121 2HG LYS 121 18.969 1.389 -2.251 1005 HG3 LYS 121 1HG LYS 121 18.398 2.093 -0.764 1006 HD2 LYS 121 2HD LYS 121 16.377 0.969 -0.827 1007 HD3 LYS 121 1HD LYS 121 16.297 0.847 -2.574 1008 HE2 LYS 121 2HE LYS 121 18.119 -0.702 -0.742 1009 HE3 LYS 121 1HE LYS 121 16.764 -1.326 -1.676 1010 HZ1 LYS 121 3HZ LYS 121 18.187 -1.666 -3.342 1011 HZ2 LYS 121 1HZ LYS 121 19.425 -0.972 -2.487 1012 HZ3 LYS 121 2HZ LYS 121 18.495 0.007 -3.489 1013 H LEU 122 H LEU 122 15.878 1.835 -5.869 1014 HA LEU 122 HA LEU 122 17.707 -0.448 -5.994 1015 HB2 LEU 122 2HB LEU 122 15.511 0.389 -7.912 1016 HB3 LEU 122 1HB LEU 122 16.384 -1.133 -7.941 1017 HG LEU 122 HG LEU 122 14.692 -0.165 -5.625 1018 HD11 LEU 122 1HD1 LEU 122 13.059 -1.828 -6.310 1019 HD12 LEU 122 2HD1 LEU 122 14.128 -2.412 -7.578 1020 HD13 LEU 122 3HD1 LEU 122 13.410 -0.815 -7.709 1021 HD21 LEU 122 3HD2 LEU 122 16.149 -1.650 -4.582 1022 HD22 LEU 122 1HD2 LEU 122 16.460 -2.560 -6.064 1023 HD23 LEU 122 2HD2 LEU 122 14.959 -2.790 -5.182 1024 H HIS 123 H HIS 123 19.627 0.769 -6.237 1025 HA HIS 123 HA HIS 123 20.290 1.425 -8.985 1026 HB2 HIS 123 2HB HIS 123 19.614 3.469 -6.998 1027 HB3 HIS 123 1HB HIS 123 21.233 3.676 -7.632 1028 HD1 HIS 123 1HD HIS 123 18.038 2.533 -9.355 1029 HD2 HIS 123 2HD HIS 123 20.959 5.491 -9.687 1030 HE1 HIS 123 1HE HIS 123 17.503 3.874 -11.479 1031 HE2 HIS 123 2HE HIS 123 19.291 5.668 -11.671 1032 HA PRO 124 HA PRO 124 24.385 0.370 -7.574 1033 HB2 PRO 124 2HB PRO 124 25.961 2.289 -8.733 1034 HB3 PRO 124 1HB PRO 124 25.268 0.922 -9.627 1035 HG2 PRO 124 2HG PRO 124 24.302 3.734 -9.440 1036 HG3 PRO 124 1HG PRO 124 24.392 2.674 -10.855 1037 HD2 PRO 124 2HD PRO 124 22.086 3.095 -9.623 1038 HD3 PRO 124 1HD PRO 124 22.473 1.495 -10.292 1039 H VAL 125 H VAL 125 26.256 1.238 -6.268 1040 HA VAL 125 HA VAL 125 25.322 2.549 -3.988 1041 HB VAL 125 HB VAL 125 28.149 2.227 -5.016 1042 HG11 VAL 125 1HG1 VAL 125 28.495 3.763 -3.353 1043 HG12 VAL 125 2HG1 VAL 125 28.516 2.300 -2.386 1044 HG13 VAL 125 3HG1 VAL 125 27.058 3.305 -2.437 1045 HG21 VAL 125 3HG2 VAL 125 28.018 0.372 -3.140 1046 HG22 VAL 125 1HG2 VAL 125 27.340 0.039 -4.725 1047 HG23 VAL 125 2HG2 VAL 125 26.277 0.487 -3.405 1048 H SER 126 H SER 126 27.337 3.721 -6.647 1049 HA SER 126 HA SER 126 27.058 6.526 -5.826 1050 HB2 SER 126 2HB SER 126 28.266 5.412 -8.343 1051 HB3 SER 126 1HB SER 126 28.569 6.989 -7.620 1052 HG SER 126 HG SER 126 30.032 4.981 -7.335 1053 H ASN 127 H ASN 127 25.806 7.973 -6.784 1054 HA ASN 127 HA ASN 127 24.039 7.041 -8.957 1055 HB2 ASN 127 2HB ASN 127 23.129 8.561 -6.496 1056 HB3 ASN 127 1HB ASN 127 22.138 8.048 -7.858 1057 HD21 ASN 127 1HD2 ASN 127 23.543 5.388 -8.053 1058 HD22 ASN 127 2HD2 ASN 127 23.007 4.473 -6.743 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.568 1.053 21.013 2 HA2 GLY 1 2HA GLY 1 8.879 1.616 18.710 3 HA3 GLY 1 1HA GLY 1 9.244 -0.085 18.971 4 H ALA 2 H ALA 2 8.039 -0.473 17.010 5 HA ALA 2 HA ALA 2 5.240 0.077 16.819 6 HB1 ALA 2 1HB ALA 2 7.143 -1.716 15.332 7 HB2 ALA 2 2HB ALA 2 6.224 -0.339 14.735 8 HB3 ALA 2 3HB ALA 2 5.408 -1.866 15.073 9 H MET 3 H MET 3 5.034 -0.661 19.156 10 HA MET 3 HA MET 3 5.065 -3.421 19.815 11 HB2 MET 3 2HB MET 3 3.555 -1.143 21.102 12 HB3 MET 3 1HB MET 3 3.702 -2.752 21.798 13 HG2 MET 3 2HG MET 3 5.995 -0.853 21.177 14 HG3 MET 3 1HG MET 3 5.397 -1.290 22.764 15 HE1 MET 3 3HE MET 3 8.209 -1.633 20.781 16 HE2 MET 3 1HE MET 3 7.248 -2.465 19.550 17 HE3 MET 3 2HE MET 3 8.556 -3.301 20.371 18 H GLY 4 H GLY 4 3.923 -3.606 17.500 19 HA2 GLY 4 2HA GLY 4 2.183 -5.078 16.780 20 HA3 GLY 4 1HA GLY 4 1.202 -4.552 18.135 21 H SER 5 H SER 5 1.998 -1.670 17.460 22 HA SER 5 HA SER 5 -0.226 -1.192 15.664 23 HB2 SER 5 2HB SER 5 0.647 1.250 16.251 24 HB3 SER 5 1HB SER 5 -0.375 0.322 17.327 25 HG SER 5 HG SER 5 1.212 0.645 18.657 26 H GLY 6 H GLY 6 2.925 -1.869 15.142 27 HA2 GLY 6 2HA GLY 6 3.876 0.085 13.407 28 HA3 GLY 6 1HA GLY 6 4.306 -1.611 13.294 29 H ASP 7 H ASP 7 1.807 -2.716 12.665 30 HA ASP 7 HA ASP 7 1.691 -2.355 9.854 31 HB2 ASP 7 2HB ASP 7 -0.393 -3.579 9.934 32 HB3 ASP 7 1HB ASP 7 0.778 -4.410 10.941 33 H THR 8 H THR 8 -0.309 -1.254 12.472 34 HA THR 8 HA THR 8 -2.170 0.232 10.971 35 HB THR 8 HB THR 8 -1.299 0.806 13.800 36 HG1 THR 8 1HG THR 8 -1.816 -1.488 13.346 37 HG21 THR 8 3HG2 THR 8 -3.248 1.954 12.108 38 HG22 THR 8 1HG2 THR 8 -3.019 2.208 13.830 39 HG23 THR 8 2HG2 THR 8 -4.131 0.962 13.255 40 H GLN 9 H GLN 9 0.799 1.163 12.674 41 HA GLN 9 HA GLN 9 0.687 3.894 11.967 42 HB2 GLN 9 2HB GLN 9 2.838 2.047 12.928 43 HB3 GLN 9 1HB GLN 9 3.294 3.625 12.308 44 HG2 GLN 9 2HG GLN 9 1.055 3.432 14.298 45 HG3 GLN 9 1HG GLN 9 2.714 3.321 14.844 46 HE21 GLN 9 1HE2 GLN 9 2.074 5.297 11.988 47 HE22 GLN 9 2HE2 GLN 9 2.266 6.790 12.761 48 H LEU 10 H LEU 10 2.358 1.119 10.472 49 HA LEU 10 HA LEU 10 3.438 2.634 8.318 50 HB2 LEU 10 2HB LEU 10 2.755 -0.311 8.515 51 HB3 LEU 10 1HB LEU 10 3.614 0.426 7.169 52 HG LEU 10 HG LEU 10 4.598 -0.301 9.864 53 HD11 LEU 10 1HD1 LEU 10 6.376 0.382 7.594 54 HD12 LEU 10 2HD1 LEU 10 5.330 -1.031 7.430 55 HD13 LEU 10 3HD1 LEU 10 6.476 -0.926 8.760 56 HD21 LEU 10 3HD2 LEU 10 5.680 2.278 8.635 57 HD22 LEU 10 1HD2 LEU 10 6.134 1.516 10.143 58 HD23 LEU 10 2HD2 LEU 10 4.577 2.267 10.025 59 H PHE 11 H PHE 11 0.421 0.830 8.735 60 HA PHE 11 HA PHE 11 -0.558 1.274 6.136 61 HB2 PHE 11 2HB PHE 11 -1.605 -0.383 7.505 62 HB3 PHE 11 1HB PHE 11 -1.989 0.789 8.751 63 HD1 PHE 11 1HD PHE 11 -2.706 -0.015 5.101 64 HD2 PHE 11 2HD PHE 11 -3.955 2.054 8.693 65 HE1 PHE 11 1HE PHE 11 -4.799 0.595 4.035 66 HE2 PHE 11 2HE PHE 11 -6.072 2.646 7.591 67 HZ PHE 11 HZ PHE 11 -6.508 1.932 5.272 68 H ASN 12 H ASN 12 -1.002 3.084 9.165 69 HA ASN 12 HA ASN 12 -2.717 5.085 8.171 70 HB2 ASN 12 2HB ASN 12 -0.589 5.220 10.320 71 HB3 ASN 12 1HB ASN 12 -1.749 6.498 10.000 72 HD21 ASN 12 1HD2 ASN 12 -1.444 4.735 12.413 73 HD22 ASN 12 2HD2 ASN 12 -2.967 4.016 12.627 74 H ARG 13 H ARG 13 0.776 4.850 8.424 75 HA ARG 13 HA ARG 13 1.410 7.334 7.259 76 HB2 ARG 13 2HB ARG 13 2.908 4.760 7.599 77 HB3 ARG 13 1HB ARG 13 3.636 6.207 6.903 78 HG2 ARG 13 2HG ARG 13 3.226 7.495 8.909 79 HG3 ARG 13 1HG ARG 13 2.299 6.197 9.648 80 HD2 ARG 13 2HD ARG 13 4.168 4.797 9.800 81 HD3 ARG 13 1HD ARG 13 5.245 5.886 8.881 82 HE ARG 13 HE ARG 13 4.485 5.943 11.702 83 HH11 ARG 13 1HH2 ARG 13 5.654 7.874 9.011 84 HH12 ARG 13 2HH2 ARG 13 6.421 9.009 10.024 85 HH21 ARG 13 1HH1 ARG 13 5.504 7.440 13.001 86 HH22 ARG 13 2HH1 ARG 13 6.334 8.778 12.319 87 H ALA 14 H ALA 14 1.068 4.066 5.959 88 HA ALA 14 HA ALA 14 1.839 4.773 3.299 89 HB1 ALA 14 1HB ALA 14 1.409 2.550 2.702 90 HB2 ALA 14 2HB ALA 14 0.176 2.356 3.954 91 HB3 ALA 14 3HB ALA 14 1.875 2.466 4.399 92 H VAL 15 H VAL 15 -1.360 3.936 4.666 93 HA VAL 15 HA VAL 15 -2.753 4.245 2.305 94 HB VAL 15 HB VAL 15 -3.431 3.155 4.548 95 HG11 VAL 15 1HG1 VAL 15 -3.299 5.283 5.859 96 HG12 VAL 15 2HG1 VAL 15 -4.842 4.447 5.988 97 HG13 VAL 15 3HG1 VAL 15 -4.702 5.871 4.951 98 HG21 VAL 15 3HG2 VAL 15 -5.953 3.901 3.919 99 HG22 VAL 15 1HG2 VAL 15 -5.031 2.771 2.950 100 HG23 VAL 15 2HG2 VAL 15 -5.139 4.459 2.471 101 H SER 16 H SER 16 -2.084 6.616 4.853 102 HA SER 16 HA SER 16 -3.841 8.620 4.026 103 HB2 SER 16 2HB SER 16 -2.110 10.168 5.104 104 HB3 SER 16 1HB SER 16 -2.816 8.937 6.124 105 HG SER 16 HG SER 16 -0.976 7.838 6.105 106 H MET 17 H MET 17 -0.512 8.009 3.100 107 HA MET 17 HA MET 17 -0.249 10.284 1.445 108 HB2 MET 17 2HB MET 17 1.198 7.656 1.223 109 HB3 MET 17 1HB MET 17 1.743 9.199 0.559 110 HG2 MET 17 2HG MET 17 1.593 10.080 3.027 111 HG3 MET 17 1HG MET 17 1.370 8.424 3.412 112 HE1 MET 17 3HE MET 17 3.918 6.515 3.512 113 HE2 MET 17 1HE MET 17 4.045 6.547 1.749 114 HE3 MET 17 2HE MET 17 2.471 6.599 2.522 115 H VAL 18 H VAL 18 -1.130 6.930 0.708 116 HA VAL 18 HA VAL 18 -1.366 7.450 -2.074 117 HB VAL 18 HB VAL 18 -2.398 5.232 -2.249 118 HG11 VAL 18 1HG1 VAL 18 0.027 5.241 -0.418 119 HG12 VAL 18 2HG1 VAL 18 0.106 5.577 -2.147 120 HG13 VAL 18 3HG1 VAL 18 -0.409 3.991 -1.578 121 HG21 VAL 18 3HG2 VAL 18 -3.649 5.120 -0.151 122 HG22 VAL 18 1HG2 VAL 18 -2.154 5.320 0.761 123 HG23 VAL 18 2HG2 VAL 18 -2.444 3.832 -0.139 124 H GLU 19 H GLU 19 -3.828 7.314 0.518 125 HA GLU 19 HA GLU 19 -6.021 7.517 -1.247 126 HB2 GLU 19 2HB GLU 19 -5.753 8.512 1.616 127 HB3 GLU 19 1HB GLU 19 -7.245 8.458 0.660 128 HG2 GLU 19 2HG GLU 19 -7.051 5.983 0.509 129 HG3 GLU 19 1HG GLU 19 -5.570 6.075 1.427 130 H LYS 20 H LYS 20 -3.929 9.865 0.293 131 HA LYS 20 HA LYS 20 -5.531 12.073 -0.713 132 HB2 LYS 20 2HB LYS 20 -3.099 12.200 1.070 133 HB3 LYS 20 1HB LYS 20 -4.324 13.441 0.837 134 HG2 LYS 20 2HG LYS 20 -4.913 10.677 1.981 135 HG3 LYS 20 1HG LYS 20 -4.663 12.109 2.955 136 HD2 LYS 20 2HD LYS 20 -6.789 12.806 2.631 137 HD3 LYS 20 1HD LYS 20 -6.667 12.656 0.891 138 HE2 LYS 20 2HE LYS 20 -8.425 11.153 1.782 139 HE3 LYS 20 1HE LYS 20 -7.131 10.282 1.013 140 HZ1 LYS 20 3HZ LYS 20 -6.188 10.242 3.504 141 HZ2 LYS 20 1HZ LYS 20 -7.306 9.075 3.015 142 HZ3 LYS 20 2HZ LYS 20 -7.815 10.424 3.862 143 H ASN 21 H ASN 21 -2.878 10.370 -1.870 144 HA ASN 21 HA ASN 21 -1.369 12.522 -3.061 145 HB2 ASN 21 2HB ASN 21 -0.435 10.189 -2.788 146 HB3 ASN 21 1HB ASN 21 -1.572 9.659 -4.022 147 HD21 ASN 21 1HD2 ASN 21 1.603 10.585 -3.690 148 HD22 ASN 21 2HD2 ASN 21 1.845 11.192 -5.249 149 H LYS 22 H LYS 22 -1.958 13.781 -4.648 150 HA LYS 22 HA LYS 22 -4.447 13.770 -5.836 151 HB2 LYS 22 2HB LYS 22 -3.640 15.435 -7.352 152 HB3 LYS 22 1HB LYS 22 -2.918 15.748 -5.776 153 HG2 LYS 22 2HG LYS 22 -1.557 14.327 -8.116 154 HG3 LYS 22 1HG LYS 22 -1.284 15.985 -7.627 155 HD2 LYS 22 2HD LYS 22 -0.620 15.079 -5.317 156 HD3 LYS 22 1HD LYS 22 -0.563 13.494 -6.039 157 HE2 LYS 22 2HE LYS 22 1.160 15.875 -6.612 158 HE3 LYS 22 1HE LYS 22 1.592 14.215 -6.193 159 HZ1 LYS 22 3HZ LYS 22 1.204 13.476 -8.396 160 HZ2 LYS 22 1HZ LYS 22 1.820 15.024 -8.607 161 HZ3 LYS 22 2HZ LYS 22 0.172 14.790 -8.746 162 H ASP 23 H ASP 23 -1.436 12.414 -7.066 163 HA ASP 23 HA ASP 23 -2.326 11.734 -9.654 164 HB2 ASP 23 2HB ASP 23 -0.149 10.759 -7.814 165 HB3 ASP 23 1HB ASP 23 -0.485 9.931 -9.301 166 H ILE 24 H ILE 24 -2.072 9.917 -6.657 167 HA ILE 24 HA ILE 24 -3.379 7.607 -7.647 168 HB ILE 24 HB ILE 24 -2.869 8.507 -4.796 169 HG12 ILE 24 2HG1 ILE 24 -1.606 6.287 -6.443 170 HG13 ILE 24 1HG1 ILE 24 -0.911 7.904 -6.365 171 HG21 ILE 24 1HG2 ILE 24 -3.307 6.006 -4.386 172 HG22 ILE 24 2HG2 ILE 24 -4.105 6.022 -5.964 173 HG23 ILE 24 3HG2 ILE 24 -4.709 7.046 -4.656 174 HD11 ILE 24 3HD1 ILE 24 -0.520 7.719 -4.017 175 HD12 ILE 24 1HD1 ILE 24 0.023 6.188 -4.717 176 HD13 ILE 24 2HD1 ILE 24 -1.538 6.280 -3.911 177 H ARG 25 H ARG 25 -4.496 10.435 -5.839 178 HA ARG 25 HA ARG 25 -7.170 9.691 -5.418 179 HB2 ARG 25 2HB ARG 25 -5.889 12.326 -6.036 180 HB3 ARG 25 1HB ARG 25 -7.618 12.198 -5.796 181 HG2 ARG 25 2HG ARG 25 -7.234 11.265 -3.514 182 HG3 ARG 25 1HG ARG 25 -5.503 11.308 -3.774 183 HD2 ARG 25 2HD ARG 25 -6.243 13.251 -2.451 184 HD3 ARG 25 1HD ARG 25 -5.548 13.765 -3.975 185 HE ARG 25 HE ARG 25 -8.340 13.444 -4.322 186 HH11 ARG 25 1HH2 ARG 25 -6.066 15.487 -2.652 187 HH12 ARG 25 2HH2 ARG 25 -7.061 16.875 -2.689 188 HH21 ARG 25 1HH1 ARG 25 -9.655 15.281 -4.407 189 HH22 ARG 25 2HH1 ARG 25 -9.152 16.763 -3.710 190 H SER 26 H SER 26 -5.586 11.137 -8.185 191 HA SER 26 HA SER 26 -7.850 11.364 -9.851 192 HB2 SER 26 2HB SER 26 -4.964 10.922 -10.524 193 HB3 SER 26 1HB SER 26 -6.183 11.505 -11.668 194 HG SER 26 HG SER 26 -5.193 12.696 -9.254 195 H LEU 27 H LEU 27 -5.443 8.774 -9.385 196 HA LEU 27 HA LEU 27 -6.554 6.936 -11.276 197 HB2 LEU 27 2HB LEU 27 -4.917 6.416 -8.769 198 HB3 LEU 27 1HB LEU 27 -5.318 5.217 -9.981 199 HG LEU 27 HG LEU 27 -3.841 7.772 -10.610 200 HD11 LEU 27 1HD1 LEU 27 -2.409 6.439 -9.186 201 HD12 LEU 27 2HD1 LEU 27 -1.849 6.248 -10.846 202 HD13 LEU 27 3HD1 LEU 27 -2.792 4.972 -10.093 203 HD21 LEU 27 3HD2 LEU 27 -5.050 6.709 -12.546 204 HD22 LEU 27 1HD2 LEU 27 -4.184 5.209 -12.191 205 HD23 LEU 27 2HD2 LEU 27 -3.305 6.631 -12.722 206 H LEU 28 H LEU 28 -7.027 7.488 -7.834 207 HA LEU 28 HA LEU 28 -8.878 5.349 -7.478 208 HB2 LEU 28 2HB LEU 28 -8.329 7.793 -5.777 209 HB3 LEU 28 1HB LEU 28 -9.363 6.486 -5.258 210 HG LEU 28 HG LEU 28 -6.415 6.215 -5.979 211 HD11 LEU 28 1HD1 LEU 28 -6.118 5.812 -3.576 212 HD12 LEU 28 2HD1 LEU 28 -7.824 6.100 -3.294 213 HD13 LEU 28 3HD1 LEU 28 -6.786 7.419 -3.844 214 HD21 LEU 28 3HD2 LEU 28 -6.684 3.941 -4.995 215 HD22 LEU 28 1HD2 LEU 28 -7.645 4.128 -6.451 216 HD23 LEU 28 2HD2 LEU 28 -8.414 4.200 -4.868 217 H GLN 29 H GLN 29 -9.099 8.384 -8.894 218 HA GLN 29 HA GLN 29 -10.845 9.569 -9.797 219 HB2 GLN 29 2HB GLN 29 -12.661 7.286 -8.978 220 HB3 GLN 29 1HB GLN 29 -12.897 8.471 -10.255 221 HG2 GLN 29 2HG GLN 29 -10.686 6.374 -10.253 222 HG3 GLN 29 1HG GLN 29 -12.183 6.245 -11.155 223 HE21 GLN 29 1HE2 GLN 29 -9.240 6.610 -11.993 224 HE22 GLN 29 2HE2 GLN 29 -9.299 7.887 -13.101 225 H CYS 30 H CYS 30 -10.020 9.899 -7.102 226 HA CYS 30 HA CYS 30 -12.253 9.970 -5.303 227 HB2 CYS 30 2HB CYS 30 -9.610 10.124 -4.856 228 HB3 CYS 30 1HB CYS 30 -9.956 11.845 -4.877 229 HG CYS 30 HG CYS 30 -11.405 11.608 -2.806 230 H ASP 31 H ASP 31 -13.834 10.808 -6.625 231 HA ASP 31 HA ASP 31 -13.683 13.664 -7.160 232 HB2 ASP 31 2HB ASP 31 -15.623 13.254 -8.479 233 HB3 ASP 31 1HB ASP 31 -14.239 12.275 -9.008 234 H ASP 32 H ASP 32 -14.316 12.206 -4.520 235 HA ASP 32 HA ASP 32 -16.695 12.309 -3.422 236 HB2 ASP 32 2HB ASP 32 -14.237 13.716 -2.410 237 HB3 ASP 32 1HB ASP 32 -15.707 13.682 -1.464 238 H GLY 33 H GLY 33 -18.380 13.454 -4.194 239 HA2 GLY 33 2HA GLY 33 -19.326 15.709 -3.331 240 HA3 GLY 33 1HA GLY 33 -18.142 16.368 -4.455 241 H ILE 34 H ILE 34 -18.284 14.981 -6.671 242 HA ILE 34 HA ILE 34 -20.723 15.781 -7.880 243 HB ILE 34 HB ILE 34 -18.818 15.672 -9.271 244 HG12 ILE 34 2HG1 ILE 34 -19.555 13.924 -11.035 245 HG13 ILE 34 1HG1 ILE 34 -20.757 13.416 -9.915 246 HG21 ILE 34 1HG2 ILE 34 -17.235 14.179 -9.122 247 HG22 ILE 34 2HG2 ILE 34 -18.315 12.831 -9.426 248 HG23 ILE 34 3HG2 ILE 34 -18.065 13.403 -7.776 249 HD11 ILE 34 3HD1 ILE 34 -22.001 15.323 -10.039 250 HD12 ILE 34 1HD1 ILE 34 -21.349 15.277 -11.668 251 HD13 ILE 34 2HD1 ILE 34 -20.632 16.356 -10.470 252 H THR 35 H THR 35 -19.626 12.662 -6.748 253 HA THR 35 HA THR 35 -22.302 11.602 -7.365 254 HB THR 35 HB THR 35 -21.357 9.685 -7.915 255 HG1 THR 35 1HG THR 35 -20.526 9.571 -5.549 256 HG21 THR 35 3HG2 THR 35 -18.752 11.192 -7.883 257 HG22 THR 35 1HG2 THR 35 -20.009 11.381 -9.110 258 HG23 THR 35 2HG2 THR 35 -19.180 9.833 -8.918 259 H GLY 36 H GLY 36 -21.439 13.334 -5.153 260 HA2 GLY 36 2HA GLY 36 -22.059 13.475 -2.889 261 HA3 GLY 36 1HA GLY 36 -22.289 11.710 -2.898 262 H LYS 37 H LYS 37 -20.826 11.920 -0.896 263 HA LYS 37 HA LYS 37 -18.034 11.771 -1.861 264 HB2 LYS 37 2HB LYS 37 -19.136 12.649 0.807 265 HB3 LYS 37 1HB LYS 37 -17.449 12.228 0.539 266 HG2 LYS 37 2HG LYS 37 -17.277 14.488 0.082 267 HG3 LYS 37 1HG LYS 37 -17.727 13.919 -1.522 268 HD2 LYS 37 2HD LYS 37 -19.113 15.805 -0.974 269 HD3 LYS 37 1HD LYS 37 -20.127 14.373 -0.975 270 HE2 LYS 37 2HE LYS 37 -20.767 14.859 1.130 271 HE3 LYS 37 1HE LYS 37 -19.123 14.607 1.692 272 HZ1 LYS 37 3HZ LYS 37 -20.051 17.194 0.528 273 HZ2 LYS 37 1HZ LYS 37 -18.633 16.858 1.404 274 HZ3 LYS 37 2HZ LYS 37 -20.122 16.782 2.174 275 H GLU 38 H GLU 38 -17.419 9.839 -1.975 276 HA GLU 38 HA GLU 38 -18.518 7.764 -0.250 277 HB2 GLU 38 2HB GLU 38 -16.870 7.587 -2.731 278 HB3 GLU 38 1HB GLU 38 -17.045 6.197 -1.670 279 HG2 GLU 38 2HG GLU 38 -19.328 7.770 -2.884 280 HG3 GLU 38 1HG GLU 38 -18.691 6.211 -3.449 281 H ARG 39 H ARG 39 -17.400 6.563 1.079 282 HA ARG 39 HA ARG 39 -15.064 7.858 2.252 283 HB2 ARG 39 2HB ARG 39 -15.910 5.119 3.109 284 HB3 ARG 39 1HB ARG 39 -15.309 6.451 4.076 285 HG2 ARG 39 2HG ARG 39 -18.092 6.157 2.898 286 HG3 ARG 39 1HG ARG 39 -17.631 6.143 4.585 287 HD2 ARG 39 2HD ARG 39 -16.828 8.511 4.362 288 HD3 ARG 39 1HD ARG 39 -17.447 8.566 2.739 289 HE ARG 39 HE ARG 39 -19.006 8.661 5.169 290 HH11 ARG 39 1HH2 ARG 39 -18.999 7.800 1.803 291 HH12 ARG 39 2HH2 ARG 39 -20.672 7.980 1.573 292 HH21 ARG 39 1HH1 ARG 39 -21.248 8.904 4.914 293 HH22 ARG 39 2HH1 ARG 39 -21.996 8.638 3.400 294 H LEU 40 H LEU 40 -12.979 7.261 1.860 295 HA LEU 40 HA LEU 40 -12.482 5.158 -0.107 296 HB2 LEU 40 2HB LEU 40 -10.653 7.051 1.407 297 HB3 LEU 40 1HB LEU 40 -10.077 5.792 0.329 298 HG LEU 40 HG LEU 40 -11.750 6.838 -1.405 299 HD11 LEU 40 1HD1 LEU 40 -12.863 8.443 0.036 300 HD12 LEU 40 2HD1 LEU 40 -11.842 9.363 -1.070 301 HD13 LEU 40 3HD1 LEU 40 -11.320 9.090 0.575 302 HD21 LEU 40 3HD2 LEU 40 -9.882 8.596 -1.955 303 HD22 LEU 40 1HD2 LEU 40 -9.446 6.889 -1.935 304 HD23 LEU 40 2HD2 LEU 40 -9.052 7.916 -0.563 305 H LYS 41 H LYS 41 -11.929 3.122 0.410 306 HA LYS 41 HA LYS 41 -11.250 2.584 3.227 307 HB2 LYS 41 2HB LYS 41 -13.121 1.098 1.424 308 HB3 LYS 41 1HB LYS 41 -12.314 0.314 2.775 309 HG2 LYS 41 2HG LYS 41 -13.221 2.220 4.253 310 HG3 LYS 41 1HG LYS 41 -14.219 2.673 2.882 311 HD2 LYS 41 2HD LYS 41 -15.573 1.222 4.239 312 HD3 LYS 41 1HD LYS 41 -15.100 0.308 2.820 313 HE2 LYS 41 2HE LYS 41 -14.744 -1.129 4.760 314 HE3 LYS 41 1HE LYS 41 -13.159 -0.673 4.151 315 HZ1 LYS 41 3HZ LYS 41 -14.563 0.710 6.378 316 HZ2 LYS 41 1HZ LYS 41 -13.028 1.052 5.801 317 HZ3 LYS 41 2HZ LYS 41 -13.309 -0.419 6.567 318 H ALA 42 H ALA 42 -9.859 0.977 3.662 319 HA ALA 42 HA ALA 42 -8.509 -0.278 1.412 320 HB1 ALA 42 1HB ALA 42 -6.342 0.066 2.668 321 HB2 ALA 42 2HB ALA 42 -7.254 1.185 3.689 322 HB3 ALA 42 3HB ALA 42 -7.048 1.543 1.979 323 H TYR 43 H TYR 43 -7.983 -2.385 1.801 324 HA TYR 43 HA TYR 43 -7.941 -3.449 4.479 325 HB2 TYR 43 2HB TYR 43 -9.742 -5.133 3.966 326 HB3 TYR 43 1HB TYR 43 -10.315 -3.492 4.235 327 HD1 TYR 43 1HD TYR 43 -9.667 -6.086 1.737 328 HD2 TYR 43 2HD TYR 43 -11.217 -2.150 2.394 329 HE1 TYR 43 1HE TYR 43 -10.649 -6.136 -0.468 330 HE2 TYR 43 2HE TYR 43 -12.237 -2.166 0.157 331 HH TYR 43 HH TYR 43 -12.874 -3.582 -1.562 332 H GLY 44 H GLY 44 -7.723 -5.916 4.396 333 HA2 GLY 44 2HA GLY 44 -5.365 -6.524 3.220 334 HA3 GLY 44 1HA GLY 44 -6.488 -7.713 3.783 335 H GLU 45 H GLU 45 -4.804 -7.422 1.368 336 HA GLU 45 HA GLU 45 -6.225 -7.084 -0.994 337 HB2 GLU 45 2HB GLU 45 -3.693 -7.760 -0.166 338 HB3 GLU 45 1HB GLU 45 -4.173 -9.053 -1.295 339 HG2 GLU 45 2HG GLU 45 -4.891 -6.363 -2.284 340 HG3 GLU 45 1HG GLU 45 -3.181 -6.555 -1.970 341 H LEU 46 H LEU 46 -7.883 -8.221 -1.749 342 HA LEU 46 HA LEU 46 -8.709 -10.827 -0.954 343 HB2 LEU 46 2HB LEU 46 -9.420 -9.553 -3.611 344 HB3 LEU 46 1HB LEU 46 -10.329 -10.687 -2.646 345 HG LEU 46 HG LEU 46 -11.413 -8.642 -2.240 346 HD11 LEU 46 1HD1 LEU 46 -10.833 -9.891 -0.168 347 HD12 LEU 46 2HD1 LEU 46 -11.078 -8.170 0.074 348 HD13 LEU 46 3HD1 LEU 46 -9.447 -8.821 0.062 349 HD21 LEU 46 3HD2 LEU 46 -10.445 -6.610 -2.434 350 HD22 LEU 46 1HD2 LEU 46 -9.060 -7.471 -3.073 351 HD23 LEU 46 2HD2 LEU 46 -9.097 -7.010 -1.372 352 H ILE 47 H ILE 47 -6.917 -9.556 -3.718 353 HA ILE 47 HA ILE 47 -6.622 -12.203 -4.888 354 HB ILE 47 HB ILE 47 -5.756 -9.479 -5.889 355 HG12 ILE 47 2HG1 ILE 47 -8.213 -11.095 -6.646 356 HG13 ILE 47 1HG1 ILE 47 -8.255 -9.734 -5.529 357 HG21 ILE 47 1HG2 ILE 47 -4.711 -10.674 -7.472 358 HG22 ILE 47 2HG2 ILE 47 -6.291 -11.196 -8.035 359 HG23 ILE 47 3HG2 ILE 47 -5.391 -12.199 -6.906 360 HD11 ILE 47 3HD1 ILE 47 -8.707 -8.580 -7.461 361 HD12 ILE 47 1HD1 ILE 47 -7.876 -9.767 -8.466 362 HD13 ILE 47 2HD1 ILE 47 -6.945 -8.567 -7.580 363 H THR 48 H THR 48 -5.146 -10.738 -2.495 364 HA THR 48 HA THR 48 -2.741 -10.088 -2.417 365 HB THR 48 HB THR 48 -2.365 -12.478 -1.067 366 HG1 THR 48 1HG THR 48 -5.002 -11.420 -0.628 367 HG21 THR 48 3HG2 THR 48 -3.413 -10.635 0.808 368 HG22 THR 48 1HG2 THR 48 -2.567 -9.676 -0.415 369 HG23 THR 48 2HG2 THR 48 -1.781 -11.010 0.414 370 H ASN 49 H ASN 49 -2.370 -13.602 -2.335 371 HA ASN 49 HA ASN 49 -0.446 -13.367 -4.562 372 HB2 ASN 49 2HB ASN 49 -0.175 -14.652 -1.917 373 HB3 ASN 49 1HB ASN 49 0.470 -15.576 -3.261 374 HD21 ASN 49 1HD2 ASN 49 2.043 -14.374 -4.715 375 HD22 ASN 49 2HD2 ASN 49 3.007 -13.161 -4.021 376 H ASP 50 H ASP 50 -1.287 -16.505 -3.189 377 HA ASP 50 HA ASP 50 -2.221 -17.269 -5.824 378 HB2 ASP 50 2HB ASP 50 -1.938 -19.573 -5.030 379 HB3 ASP 50 1HB ASP 50 -0.458 -18.633 -4.935 380 H LYS 51 H LYS 51 -3.277 -18.740 -2.742 381 HA LYS 51 HA LYS 51 -5.956 -18.872 -3.888 382 HB2 LYS 51 2HB LYS 51 -4.721 -20.164 -1.450 383 HB3 LYS 51 1HB LYS 51 -6.385 -20.408 -1.972 384 HG2 LYS 51 2HG LYS 51 -5.599 -21.300 -4.128 385 HG3 LYS 51 1HG LYS 51 -3.927 -21.004 -3.649 386 HD2 LYS 51 2HD LYS 51 -4.211 -22.509 -1.722 387 HD3 LYS 51 1HD LYS 51 -5.860 -22.861 -2.228 388 HE2 LYS 51 2HE LYS 51 -5.058 -23.833 -4.332 389 HE3 LYS 51 1HE LYS 51 -3.403 -23.405 -3.944 390 HZ1 LYS 51 3HZ LYS 51 -5.026 -25.587 -2.893 391 HZ2 LYS 51 1HZ LYS 51 -4.062 -24.799 -1.764 392 HZ3 LYS 51 2HZ LYS 51 -3.360 -25.492 -3.116 393 H TRP 52 H TRP 52 -5.643 -18.841 -0.419 394 HA TRP 52 HA TRP 52 -7.119 -16.291 -0.344 395 HB2 TRP 52 2HB TRP 52 -7.920 -18.867 0.731 396 HB3 TRP 52 1HB TRP 52 -7.899 -17.624 1.972 397 HD1 TRP 52 HD TRP 52 -9.428 -18.383 -1.444 398 HE1 TRP 52 1HE TRP 52 -11.534 -16.926 -1.736 399 HE3 TRP 52 3HE TRP 52 -9.093 -15.504 2.744 400 HZ2 TRP 52 2HZ TRP 52 -12.889 -14.799 -0.381 401 HZ3 TRP 52 3HZ TRP 52 -10.809 -13.761 3.222 402 HH2 TRP 52 HH TRP 52 -12.696 -13.416 1.661 403 H THR 53 H THR 53 -5.684 -18.323 2.144 404 HA THR 53 HA THR 53 -5.315 -16.751 4.180 405 HB THR 53 HB THR 53 -2.972 -17.956 4.474 406 HG1 THR 53 1HG THR 53 -2.521 -19.267 2.910 407 HG21 THR 53 3HG2 THR 53 -5.603 -19.451 4.264 408 HG22 THR 53 1HG2 THR 53 -5.093 -18.482 5.646 409 HG23 THR 53 2HG2 THR 53 -4.193 -19.928 5.211 410 H ARG 54 H ARG 54 -3.551 -16.239 1.306 411 HA ARG 54 HA ARG 54 -1.415 -14.608 2.200 412 HB2 ARG 54 2HB ARG 54 -2.952 -13.939 -0.203 413 HB3 ARG 54 1HB ARG 54 -1.187 -13.972 0.000 414 HG2 ARG 54 2HG ARG 54 -1.111 -16.075 -0.813 415 HG3 ARG 54 1HG ARG 54 -2.285 -16.686 0.304 416 HD2 ARG 54 2HD ARG 54 -2.722 -15.551 -2.430 417 HD3 ARG 54 1HD ARG 54 -3.412 -16.976 -1.646 418 HE ARG 54 HE ARG 54 -4.534 -14.999 -0.227 419 HH11 ARG 54 1HH2 ARG 54 -4.137 -15.451 -3.685 420 HH12 ARG 54 2HH2 ARG 54 -5.527 -14.549 -4.080 421 HH21 ARG 54 1HH1 ARG 54 -6.355 -13.778 -0.790 422 HH22 ARG 54 2HH1 ARG 54 -6.822 -13.555 -2.412 423 H ASN 55 H ASN 55 -4.804 -14.096 1.637 424 HA ASN 55 HA ASN 55 -5.054 -11.370 1.312 425 HB2 ASN 55 2HB ASN 55 -7.322 -11.566 1.873 426 HB3 ASN 55 1HB ASN 55 -6.851 -13.051 1.046 427 HD21 ASN 55 1HD2 ASN 55 -9.010 -12.514 3.201 428 HD22 ASN 55 2HD2 ASN 55 -8.671 -13.653 4.404 429 H ARG 56 H ARG 56 -3.327 -12.290 3.729 430 HA ARG 56 HA ARG 56 -4.087 -11.594 6.128 431 HB2 ARG 56 2HB ARG 56 -1.644 -10.575 4.702 432 HB3 ARG 56 1HB ARG 56 -1.895 -10.470 6.441 433 HG2 ARG 56 2HG ARG 56 -2.322 -12.982 6.418 434 HG3 ARG 56 1HG ARG 56 -1.654 -13.003 4.781 435 HD2 ARG 56 2HD ARG 56 0.211 -11.527 6.328 436 HD3 ARG 56 1HD ARG 56 -0.304 -12.842 7.349 437 HE ARG 56 HE ARG 56 0.890 -14.264 6.035 438 HH11 ARG 56 1HH2 ARG 56 0.040 -11.434 4.231 439 HH12 ARG 56 2HH2 ARG 56 0.940 -11.819 2.826 440 HH21 ARG 56 1HH1 ARG 56 2.125 -14.846 4.170 441 HH22 ARG 56 2HH1 ARG 56 2.153 -13.841 2.801 442 HA PRO 57 HA PRO 57 -6.062 -7.573 5.600 443 HB2 PRO 57 2HB PRO 57 -5.873 -7.771 8.531 444 HB3 PRO 57 1HB PRO 57 -7.276 -7.347 7.538 445 HG2 PRO 57 2HG PRO 57 -7.047 -9.747 8.669 446 HG3 PRO 57 1HG PRO 57 -7.804 -9.563 7.074 447 HD2 PRO 57 2HD PRO 57 -5.157 -10.731 7.768 448 HD3 PRO 57 1HD PRO 57 -6.143 -10.988 6.300 449 H ILE 58 H ILE 58 -5.316 -5.509 5.861 450 HA ILE 58 HA ILE 58 -2.879 -4.738 5.495 451 HB ILE 58 HB ILE 58 -4.727 -3.374 7.447 452 HG12 ILE 58 2HG1 ILE 58 -4.182 -2.664 4.586 453 HG13 ILE 58 1HG1 ILE 58 -5.423 -3.863 4.950 454 HG21 ILE 58 1HG2 ILE 58 -2.619 -2.011 5.808 455 HG22 ILE 58 2HG2 ILE 58 -2.183 -2.657 7.401 456 HG23 ILE 58 3HG2 ILE 58 -3.469 -1.452 7.238 457 HD11 ILE 58 3HD1 ILE 58 -5.399 -1.197 6.334 458 HD12 ILE 58 1HD1 ILE 58 -6.752 -2.292 6.022 459 HD13 ILE 58 2HD1 ILE 58 -6.047 -1.363 4.696 460 H VAL 59 H VAL 59 -1.373 -6.215 6.391 461 HA VAL 59 HA VAL 59 -0.357 -5.346 8.987 462 HB VAL 59 HB VAL 59 0.296 -7.689 9.533 463 HG11 VAL 59 1HG1 VAL 59 -2.580 -6.883 9.310 464 HG12 VAL 59 2HG1 VAL 59 -1.611 -7.161 10.749 465 HG13 VAL 59 3HG1 VAL 59 -2.204 -8.521 9.803 466 HG21 VAL 59 3HG2 VAL 59 -1.186 -9.432 8.221 467 HG22 VAL 59 1HG2 VAL 59 0.344 -8.912 7.535 468 HG23 VAL 59 2HG2 VAL 59 -1.177 -8.228 6.948 469 H SER 60 H SER 60 1.983 -5.750 9.156 470 HA SER 60 HA SER 60 3.222 -6.047 6.503 471 HB2 SER 60 2HB SER 60 5.167 -4.817 7.552 472 HB3 SER 60 1HB SER 60 3.753 -3.846 7.177 473 HG SER 60 HG SER 60 4.071 -5.083 9.718 474 H THR 61 H THR 61 4.315 -7.898 6.281 475 HA THR 61 HA THR 61 4.664 -9.688 8.450 476 HB THR 61 HB THR 61 5.657 -11.149 6.887 477 HG1 THR 61 1HG THR 61 6.994 -9.046 6.166 478 HG21 THR 61 3HG2 THR 61 3.283 -10.267 6.343 479 HG22 THR 61 1HG2 THR 61 4.140 -11.164 5.100 480 HG23 THR 61 2HG2 THR 61 4.050 -9.411 5.006 481 H LYS 62 H LYS 62 6.317 -9.774 9.925 482 HA LYS 62 HA LYS 62 8.489 -7.849 9.739 483 HB2 LYS 62 2HB LYS 62 7.936 -10.015 11.781 484 HB3 LYS 62 1HB LYS 62 9.207 -8.820 11.864 485 HG2 LYS 62 2HG LYS 62 6.283 -8.033 11.669 486 HG3 LYS 62 1HG LYS 62 7.119 -8.278 13.203 487 HD2 LYS 62 2HD LYS 62 8.900 -6.620 12.190 488 HD3 LYS 62 1HD LYS 62 7.580 -6.159 11.122 489 HE2 LYS 62 2HE LYS 62 6.903 -4.772 12.773 490 HE3 LYS 62 1HE LYS 62 6.368 -6.203 13.658 491 HZ1 LYS 62 3HZ LYS 62 8.845 -4.653 13.847 492 HZ2 LYS 62 1HZ LYS 62 8.846 -6.255 14.374 493 HZ3 LYS 62 2HZ LYS 62 7.812 -5.137 15.105 494 H LYS 63 H LYS 63 10.268 -8.308 8.599 495 HA LYS 63 HA LYS 63 11.432 -10.953 9.019 496 HB2 LYS 63 2HB LYS 63 11.252 -9.650 6.297 497 HB3 LYS 63 1HB LYS 63 12.221 -11.069 6.680 498 HG2 LYS 63 2HG LYS 63 10.021 -12.124 7.587 499 HG3 LYS 63 1HG LYS 63 9.208 -10.830 6.744 500 HD2 LYS 63 2HD LYS 63 11.183 -12.630 5.342 501 HD3 LYS 63 1HD LYS 63 9.473 -13.030 5.483 502 HE2 LYS 63 2HE LYS 63 9.036 -10.670 4.505 503 HE3 LYS 63 1HE LYS 63 10.743 -10.706 4.054 504 HZ1 LYS 63 3HZ LYS 63 10.402 -12.576 2.681 505 HZ2 LYS 63 1HZ LYS 63 9.133 -11.553 2.324 506 HZ3 LYS 63 2HZ LYS 63 8.852 -12.878 3.288 507 H LEU 64 H LEU 64 13.482 -10.851 9.579 508 HA LEU 64 HA LEU 64 14.811 -8.233 9.320 509 HB2 LEU 64 2HB LEU 64 14.269 -8.837 11.650 510 HB3 LEU 64 1HB LEU 64 15.101 -10.369 11.450 511 HG LEU 64 HG LEU 64 17.261 -9.248 11.205 512 HD11 LEU 64 1HD1 LEU 64 17.276 -6.736 11.539 513 HD12 LEU 64 2HD1 LEU 64 15.544 -6.763 11.301 514 HD13 LEU 64 3HD1 LEU 64 16.632 -7.239 9.970 515 HD21 LEU 64 3HD2 LEU 64 17.353 -8.098 13.408 516 HD22 LEU 64 1HD2 LEU 64 16.401 -9.590 13.519 517 HD23 LEU 64 2HD2 LEU 64 15.604 -8.015 13.409 518 H ASP 65 H ASP 65 16.311 -8.259 7.832 519 HA ASP 65 HA ASP 65 17.472 -10.836 7.072 520 HB2 ASP 65 2HB ASP 65 16.345 -8.667 5.568 521 HB3 ASP 65 1HB ASP 65 17.992 -8.874 5.086 522 H LYS 66 H LYS 66 19.413 -10.392 5.650 523 HA LYS 66 HA LYS 66 21.765 -10.164 6.971 524 HB2 LYS 66 2HB LYS 66 22.715 -9.344 4.745 525 HB3 LYS 66 1HB LYS 66 21.840 -10.871 4.710 526 HG2 LYS 66 2HG LYS 66 20.156 -8.433 4.246 527 HG3 LYS 66 1HG LYS 66 21.342 -8.788 3.005 528 HD2 LYS 66 2HD LYS 66 20.458 -10.955 2.602 529 HD3 LYS 66 1HD LYS 66 19.386 -10.929 3.983 530 HE2 LYS 66 2HE LYS 66 18.252 -8.906 2.895 531 HE3 LYS 66 1HE LYS 66 19.203 -9.263 1.454 532 HZ1 LYS 66 3HZ LYS 66 17.349 -10.514 1.024 533 HZ2 LYS 66 1HZ LYS 66 16.974 -10.724 2.642 534 HZ3 LYS 66 2HZ LYS 66 18.178 -11.671 1.920 535 H GLU 67 H GLU 67 19.751 -7.537 5.855 536 HA GLU 67 HA GLU 67 21.620 -5.485 6.095 537 HB2 GLU 67 2HB GLU 67 18.590 -5.377 6.262 538 HB3 GLU 67 1HB GLU 67 19.649 -3.967 6.257 539 HG2 GLU 67 2HG GLU 67 20.609 -4.600 4.138 540 HG3 GLU 67 1HG GLU 67 19.648 -6.079 4.098 541 H GLY 68 H GLY 68 19.600 -7.073 8.471 542 HA2 GLY 68 2HA GLY 68 19.984 -7.126 10.783 543 HA3 GLY 68 1HA GLY 68 21.101 -5.768 10.604 544 H ARG 69 H ARG 69 18.215 -5.367 8.937 545 HA ARG 69 HA ARG 69 16.994 -3.838 11.118 546 HB2 ARG 69 2HB ARG 69 16.391 -2.142 9.379 547 HB3 ARG 69 1HB ARG 69 18.094 -2.178 9.820 548 HG2 ARG 69 2HG ARG 69 18.396 -3.800 7.846 549 HG3 ARG 69 1HG ARG 69 16.788 -3.293 7.326 550 HD2 ARG 69 2HD ARG 69 17.639 -0.901 7.498 551 HD3 ARG 69 1HD ARG 69 19.206 -1.623 7.786 552 HE ARG 69 HE ARG 69 18.022 -2.675 5.371 553 HH11 ARG 69 1HH2 ARG 69 19.927 -0.062 6.731 554 HH12 ARG 69 2HH2 ARG 69 20.630 0.394 5.255 555 HH21 ARG 69 1HH1 ARG 69 18.958 -2.102 3.412 556 HH22 ARG 69 2HH1 ARG 69 20.068 -0.803 3.306 557 H THR 70 H THR 70 14.959 -4.389 11.381 558 HA THR 70 HA THR 70 13.868 -6.541 10.005 559 HB THR 70 HB THR 70 12.306 -4.592 11.724 560 HG1 THR 70 1HG THR 70 14.147 -5.212 12.849 561 HG21 THR 70 3HG2 THR 70 10.877 -6.201 10.641 562 HG22 THR 70 1HG2 THR 70 11.091 -6.723 12.305 563 HG23 THR 70 2HG2 THR 70 11.978 -7.524 11.011 564 H HIS 71 H HIS 71 12.651 -6.776 8.272 565 HA HIS 71 HA HIS 71 11.929 -4.419 6.711 566 HB2 HIS 71 2HB HIS 71 13.168 -6.625 5.910 567 HB3 HIS 71 1HB HIS 71 11.527 -7.222 5.755 568 HD1 HIS 71 1HD HIS 71 14.040 -5.303 4.002 569 HD2 HIS 71 2HD HIS 71 9.839 -5.359 3.902 570 HE1 HIS 71 1HE HIS 71 13.305 -4.195 1.835 571 HE2 HIS 71 2HE HIS 71 10.764 -4.258 1.797 572 H HIS 72 H HIS 72 9.831 -3.983 6.201 573 HA HIS 72 HA HIS 72 7.670 -5.638 7.358 574 HB2 HIS 72 2HB HIS 72 7.975 -2.695 6.863 575 HB3 HIS 72 1HB HIS 72 6.375 -3.383 6.941 576 HD1 HIS 72 1HD HIS 72 5.380 -3.584 9.303 577 HD2 HIS 72 2HD HIS 72 9.575 -3.338 9.329 578 HE1 HIS 72 1HE HIS 72 6.066 -3.395 11.686 579 HE2 HIS 72 2HE HIS 72 8.635 -3.291 11.759 580 H TYR 73 H TYR 73 6.738 -6.818 5.738 581 HA TYR 73 HA TYR 73 6.528 -5.600 3.044 582 HB2 TYR 73 2HB TYR 73 6.352 -8.520 3.872 583 HB3 TYR 73 1HB TYR 73 6.059 -7.916 2.261 584 HD1 TYR 73 2HD TYR 73 7.842 -6.984 0.876 585 HD2 TYR 73 1HD TYR 73 8.708 -8.565 4.799 586 HE1 TYR 73 2HE TYR 73 10.251 -6.985 0.354 587 HE2 TYR 73 1HE TYR 73 11.109 -8.562 4.256 588 HH TYR 73 HH TYR 73 12.621 -7.285 2.710 589 H MET 74 H MET 74 4.574 -4.855 2.537 590 HA MET 74 HA MET 74 2.137 -6.062 3.669 591 HB2 MET 74 2HB MET 74 2.844 -4.362 5.304 592 HB3 MET 74 1HB MET 74 2.971 -3.176 4.004 593 HG2 MET 74 2HG MET 74 0.357 -4.171 3.721 594 HG3 MET 74 1HG MET 74 0.582 -4.086 5.451 595 HE1 MET 74 3HE MET 74 0.397 -2.200 6.811 596 HE2 MET 74 1HE MET 74 0.780 -0.534 6.342 597 HE3 MET 74 2HE MET 74 2.062 -1.737 6.437 598 H ARG 75 H ARG 75 0.440 -5.908 2.399 599 HA ARG 75 HA ARG 75 0.361 -3.842 0.401 600 HB2 ARG 75 2HB ARG 75 -0.479 -5.351 -1.343 601 HB3 ARG 75 1HB ARG 75 1.184 -5.746 -0.915 602 HG2 ARG 75 2HG ARG 75 0.555 -7.630 0.341 603 HG3 ARG 75 1HG ARG 75 -1.127 -7.194 0.437 604 HD2 ARG 75 2HD ARG 75 -1.039 -8.890 -1.253 605 HD3 ARG 75 1HD ARG 75 -1.152 -7.386 -2.152 606 HE ARG 75 HE ARG 75 1.558 -8.151 -1.712 607 HH11 ARG 75 1HH2 ARG 75 -1.319 -8.699 -3.695 608 HH12 ARG 75 2HH2 ARG 75 -0.456 -9.523 -4.905 609 HH21 ARG 75 1HH1 ARG 75 2.686 -9.256 -3.421 610 HH22 ARG 75 2HH1 ARG 75 1.822 -9.828 -4.784 611 H PHE 76 H PHE 76 -1.772 -3.253 -0.083 612 HA PHE 76 HA PHE 76 -3.894 -4.830 1.004 613 HB2 PHE 76 2HB PHE 76 -4.934 -2.926 2.297 614 HB3 PHE 76 1HB PHE 76 -3.503 -3.672 3.001 615 HD1 PHE 76 2HD PHE 76 -1.395 -2.474 3.117 616 HD2 PHE 76 1HD PHE 76 -4.851 -0.617 1.353 617 HE1 PHE 76 2HE PHE 76 -0.283 -0.260 3.241 618 HE2 PHE 76 1HE PHE 76 -3.713 1.592 1.496 619 HZ PHE 76 HZ PHE 76 -1.422 1.743 2.450 620 H HIS 77 H HIS 77 -6.013 -4.193 0.451 621 HA HIS 77 HA HIS 77 -6.008 -2.941 -2.197 622 HB2 HIS 77 2HB HIS 77 -7.405 -5.218 -1.032 623 HB3 HIS 77 1HB HIS 77 -8.535 -4.065 -1.704 624 HD1 HIS 77 1HD HIS 77 -7.229 -3.009 -4.139 625 HD2 HIS 77 2HD HIS 77 -6.902 -7.035 -3.090 626 HE1 HIS 77 1HE HIS 77 -6.683 -4.288 -6.275 627 HE2 HIS 77 2HE HIS 77 -6.469 -6.729 -5.641 628 H VAL 78 H VAL 78 -7.384 -1.253 -2.654 629 HA VAL 78 HA VAL 78 -8.977 -0.257 -0.408 630 HB VAL 78 HB VAL 78 -8.261 1.956 -0.646 631 HG11 VAL 78 1HG1 VAL 78 -5.942 1.902 -0.200 632 HG12 VAL 78 2HG1 VAL 78 -5.689 0.536 -1.288 633 HG13 VAL 78 3HG1 VAL 78 -6.512 0.290 0.250 634 HG21 VAL 78 3HG2 VAL 78 -6.664 2.589 -2.592 635 HG22 VAL 78 1HG2 VAL 78 -8.364 2.343 -2.974 636 HG23 VAL 78 2HG2 VAL 78 -7.182 1.078 -3.338 637 H GLU 79 H GLU 79 -10.739 1.019 -1.006 638 HA GLU 79 HA GLU 79 -11.671 0.383 -3.727 639 HB2 GLU 79 2HB GLU 79 -13.163 0.730 -1.158 640 HB3 GLU 79 1HB GLU 79 -13.980 0.736 -2.735 641 HG2 GLU 79 2HG GLU 79 -13.136 -1.441 -3.256 642 HG3 GLU 79 1HG GLU 79 -12.150 -1.538 -1.824 643 H SER 80 H SER 80 -11.636 1.927 -5.071 644 HA SER 80 HA SER 80 -11.561 4.705 -4.199 645 HB2 SER 80 2HB SER 80 -11.468 4.112 -7.083 646 HB3 SER 80 1HB SER 80 -10.406 5.054 -6.054 647 HG SER 80 HG SER 80 -10.511 2.248 -6.340 648 H LYS 81 H LYS 81 -12.713 6.115 -6.006 649 HA LYS 81 HA LYS 81 -15.455 5.811 -5.364 650 HB2 LYS 81 2HB LYS 81 -14.187 7.545 -7.498 651 HB3 LYS 81 1HB LYS 81 -15.802 7.718 -6.835 652 HG2 LYS 81 2HG LYS 81 -13.212 8.016 -5.289 653 HG3 LYS 81 1HG LYS 81 -14.341 9.289 -5.743 654 HD2 LYS 81 2HD LYS 81 -16.087 7.777 -4.509 655 HD3 LYS 81 1HD LYS 81 -14.685 7.146 -3.672 656 HE2 LYS 81 2HE LYS 81 -14.737 10.121 -3.853 657 HE3 LYS 81 1HE LYS 81 -16.046 9.400 -2.962 658 HZ1 LYS 81 3HZ LYS 81 -13.751 9.968 -1.950 659 HZ2 LYS 81 1HZ LYS 81 -13.397 8.331 -2.240 660 HZ3 LYS 81 2HZ LYS 81 -14.759 8.856 -1.288 661 H LYS 82 H LYS 82 -13.541 4.965 -8.178 662 HA LYS 82 HA LYS 82 -15.964 3.747 -9.398 663 HB2 LYS 82 2HB LYS 82 -13.628 4.789 -10.989 664 HB3 LYS 82 1HB LYS 82 -15.237 4.373 -11.530 665 HG2 LYS 82 2HG LYS 82 -14.671 6.682 -9.624 666 HG3 LYS 82 1HG LYS 82 -14.901 6.822 -11.370 667 HD2 LYS 82 2HD LYS 82 -17.164 6.133 -11.254 668 HD3 LYS 82 1HD LYS 82 -17.023 5.526 -9.620 669 HE2 LYS 82 2HE LYS 82 -18.161 7.824 -9.967 670 HE3 LYS 82 1HE LYS 82 -16.991 7.695 -8.676 671 HZ1 LYS 82 3HZ LYS 82 -15.318 8.493 -10.587 672 HZ2 LYS 82 1HZ LYS 82 -16.293 9.598 -9.755 673 HZ3 LYS 82 2HZ LYS 82 -16.746 9.048 -11.272 674 H LYS 83 H LYS 83 -12.881 3.118 -8.143 675 HA LYS 83 HA LYS 83 -12.854 0.435 -9.368 676 HB2 LYS 83 2HB LYS 83 -10.455 2.288 -9.306 677 HB3 LYS 83 1HB LYS 83 -10.482 0.589 -9.799 678 HG2 LYS 83 2HG LYS 83 -12.132 2.760 -11.154 679 HG3 LYS 83 1HG LYS 83 -10.577 2.194 -11.737 680 HD2 LYS 83 2HD LYS 83 -11.359 0.045 -12.216 681 HD3 LYS 83 1HD LYS 83 -12.821 0.200 -11.256 682 HE2 LYS 83 2HE LYS 83 -12.502 2.220 -13.416 683 HE3 LYS 83 1HE LYS 83 -12.740 0.556 -13.949 684 HZ1 LYS 83 3HZ LYS 83 -14.459 1.527 -11.804 685 HZ2 LYS 83 1HZ LYS 83 -14.799 0.451 -13.049 686 HZ3 LYS 83 2HZ LYS 83 -14.763 2.105 -13.371 687 H ILE 84 H ILE 84 -11.389 -1.032 -8.350 688 HA ILE 84 HA ILE 84 -10.994 -0.475 -5.475 689 HB ILE 84 HB ILE 84 -11.062 -3.137 -6.952 690 HG12 ILE 84 2HG1 ILE 84 -13.174 -2.026 -5.093 691 HG13 ILE 84 1HG1 ILE 84 -13.266 -1.785 -6.833 692 HG21 ILE 84 1HG2 ILE 84 -10.763 -2.336 -4.059 693 HG22 ILE 84 2HG2 ILE 84 -9.833 -3.522 -4.980 694 HG23 ILE 84 3HG2 ILE 84 -11.480 -3.877 -4.494 695 HD11 ILE 84 3HD1 ILE 84 -13.389 -4.054 -7.267 696 HD12 ILE 84 1HD1 ILE 84 -14.492 -3.815 -5.904 697 HD13 ILE 84 2HD1 ILE 84 -12.885 -4.514 -5.631 698 H ALA 85 H ALA 85 -8.886 -0.181 -4.915 699 HA ALA 85 HA ALA 85 -6.846 -0.788 -6.978 700 HB1 ALA 85 1HB ALA 85 -6.420 1.395 -6.885 701 HB2 ALA 85 2HB ALA 85 -5.761 1.137 -5.273 702 HB3 ALA 85 3HB ALA 85 -7.441 1.625 -5.470 703 H LEU 86 H LEU 86 -4.717 -1.259 -6.293 704 HA LEU 86 HA LEU 86 -4.580 -2.690 -3.717 705 HB2 LEU 86 2HB LEU 86 -4.402 -4.370 -5.255 706 HB3 LEU 86 1HB LEU 86 -3.566 -3.421 -6.457 707 HG LEU 86 HG LEU 86 -1.537 -3.417 -4.896 708 HD11 LEU 86 1HD1 LEU 86 -2.091 -3.870 -2.754 709 HD12 LEU 86 2HD1 LEU 86 -1.891 -5.535 -3.268 710 HD13 LEU 86 3HD1 LEU 86 -3.510 -4.821 -3.206 711 HD21 LEU 86 3HD2 LEU 86 -2.557 -6.189 -5.570 712 HD22 LEU 86 1HD2 LEU 86 -0.883 -5.688 -5.398 713 HD23 LEU 86 2HD2 LEU 86 -1.833 -5.096 -6.756 714 H VAL 87 H VAL 87 -3.061 -2.113 -2.304 715 HA VAL 87 HA VAL 87 -1.004 -0.183 -3.193 716 HB VAL 87 HB VAL 87 -2.468 -0.479 -0.563 717 HG11 VAL 87 1HG1 VAL 87 -0.378 0.115 0.203 718 HG12 VAL 87 2HG1 VAL 87 -1.064 1.707 -0.109 719 HG13 VAL 87 3HG1 VAL 87 0.049 0.985 -1.271 720 HG21 VAL 87 3HG2 VAL 87 -2.273 2.055 -2.184 721 HG22 VAL 87 1HG2 VAL 87 -3.538 1.543 -1.078 722 HG23 VAL 87 2HG2 VAL 87 -3.428 0.818 -2.674 723 H HIS 88 H HIS 88 1.046 -0.756 -2.886 724 HA HIS 88 HA HIS 88 1.700 -3.173 -1.275 725 HB2 HIS 88 2HB HIS 88 2.054 -3.399 -3.734 726 HB3 HIS 88 1HB HIS 88 3.113 -1.997 -3.678 727 HD1 HIS 88 1HD HIS 88 3.906 -4.985 -4.534 728 HD2 HIS 88 2HD HIS 88 4.814 -3.188 -0.859 729 HE1 HIS 88 1HE HIS 88 5.939 -6.209 -3.569 730 HE2 HIS 88 2HE HIS 88 6.516 -5.123 -1.399 731 H LEU 89 H LEU 89 2.842 -2.639 0.566 732 HA LEU 89 HA LEU 89 4.616 -0.275 0.441 733 HB2 LEU 89 2HB LEU 89 2.631 0.233 1.833 734 HB3 LEU 89 1HB LEU 89 2.957 -1.211 2.792 735 HG LEU 89 HG LEU 89 5.289 -0.183 3.269 736 HD11 LEU 89 1HD1 LEU 89 5.002 2.432 3.120 737 HD12 LEU 89 2HD1 LEU 89 4.060 1.993 1.719 738 HD13 LEU 89 3HD1 LEU 89 5.751 1.465 1.852 739 HD21 LEU 89 3HD2 LEU 89 4.193 0.119 5.197 740 HD22 LEU 89 1HD2 LEU 89 2.669 0.493 4.407 741 HD23 LEU 89 2HD2 LEU 89 3.871 1.766 4.672 742 H GLU 90 H GLU 90 6.666 -0.789 0.760 743 HA GLU 90 HA GLU 90 7.293 -3.015 2.569 744 HB2 GLU 90 2HB GLU 90 8.616 -2.266 -0.010 745 HB3 GLU 90 1HB GLU 90 9.537 -3.081 1.250 746 HG2 GLU 90 2HG GLU 90 8.063 -4.893 1.317 747 HG3 GLU 90 1HG GLU 90 6.864 -4.173 0.294 748 H ALA 91 H ALA 91 8.227 -2.450 4.321 749 HA ALA 91 HA ALA 91 9.811 0.019 4.366 750 HB1 ALA 91 1HB ALA 91 7.318 -0.140 5.516 751 HB2 ALA 91 2HB ALA 91 8.594 0.970 6.033 752 HB3 ALA 91 3HB ALA 91 8.372 -0.555 6.863 753 H LYS 92 H LYS 92 11.239 0.108 6.302 754 HA LYS 92 HA LYS 92 11.767 -2.518 7.462 755 HB2 LYS 92 2HB LYS 92 14.215 -2.271 7.172 756 HB3 LYS 92 1HB LYS 92 13.347 -2.473 5.666 757 HG2 LYS 92 2HG LYS 92 14.348 -0.582 4.924 758 HG3 LYS 92 1HG LYS 92 13.316 0.310 6.017 759 HD2 LYS 92 2HD LYS 92 15.612 -0.852 7.396 760 HD3 LYS 92 1HD LYS 92 16.093 0.172 6.048 761 HE2 LYS 92 2HE LYS 92 14.105 1.695 7.180 762 HE3 LYS 92 1HE LYS 92 14.796 0.918 8.602 763 HZ1 LYS 92 3HZ LYS 92 17.045 1.771 7.418 764 HZ2 LYS 92 1HZ LYS 92 16.062 2.640 8.483 765 HZ3 LYS 92 2HZ LYS 92 15.903 2.948 6.861 766 H GLU 93 H GLU 93 12.380 -2.456 9.557 767 HA GLU 93 HA GLU 93 12.059 0.049 10.989 768 HB2 GLU 93 2HB GLU 93 12.960 -2.662 12.017 769 HB3 GLU 93 1HB GLU 93 12.458 -1.280 12.974 770 HG2 GLU 93 2HG GLU 93 10.170 -1.374 11.978 771 HG3 GLU 93 1HG GLU 93 10.699 -2.736 10.992 772 H SER 94 H SER 94 13.658 1.521 10.898 773 HA SER 94 HA SER 94 16.335 0.836 10.388 774 HB2 SER 94 2HB SER 94 15.238 3.401 11.585 775 HB3 SER 94 1HB SER 94 16.878 3.124 11.018 776 HG SER 94 HG SER 94 15.149 4.077 9.516 777 H LYS 95 H LYS 95 18.146 1.197 11.828 778 HA LYS 95 HA LYS 95 17.962 -0.496 14.055 779 HB2 LYS 95 2HB LYS 95 20.037 1.617 13.495 780 HB3 LYS 95 1HB LYS 95 20.236 0.225 14.541 781 HG2 LYS 95 2HG LYS 95 19.919 0.252 11.516 782 HG3 LYS 95 1HG LYS 95 21.283 -0.288 12.481 783 HD2 LYS 95 2HD LYS 95 18.579 -1.686 12.724 784 HD3 LYS 95 1HD LYS 95 19.707 -2.103 11.485 785 HE2 LYS 95 2HE LYS 95 20.464 -2.094 14.417 786 HE3 LYS 95 1HE LYS 95 20.011 -3.528 13.522 787 HZ1 LYS 95 3HZ LYS 95 21.985 -2.206 12.007 788 HZ2 LYS 95 1HZ LYS 95 22.090 -3.677 12.812 789 HZ3 LYS 95 2HZ LYS 95 22.515 -2.285 13.610 790 H GLN 96 H GLN 96 18.056 2.998 13.883 791 HA GLN 96 HA GLN 96 17.731 3.152 16.812 792 HB2 GLN 96 2HB GLN 96 18.482 5.356 14.923 793 HB3 GLN 96 1HB GLN 96 18.717 5.305 16.663 794 HG2 GLN 96 2HG GLN 96 20.718 4.260 16.426 795 HG3 GLN 96 1HG GLN 96 20.014 2.969 15.485 796 HE21 GLN 96 1HE2 GLN 96 22.256 3.262 14.376 797 HE22 GLN 96 2HE2 GLN 96 22.302 4.369 13.093 798 H ASN 97 H ASN 97 16.248 4.130 13.802 799 HA ASN 97 HA ASN 97 14.489 6.088 14.849 800 HB2 ASN 97 2HB ASN 97 14.963 5.688 12.344 801 HB3 ASN 97 1HB ASN 97 13.789 4.371 12.509 802 HD21 ASN 97 1HD2 ASN 97 13.561 7.001 11.000 803 HD22 ASN 97 2HD2 ASN 97 12.112 7.667 11.572 804 H TYR 98 H TYR 98 12.414 6.052 15.486 805 HA TYR 98 HA TYR 98 11.353 3.826 16.935 806 HB2 TYR 98 2HB TYR 98 9.906 6.254 15.824 807 HB3 TYR 98 1HB TYR 98 9.338 5.160 17.067 808 HD1 TYR 98 1HD TYR 98 11.825 7.768 16.281 809 HD2 TYR 98 2HD TYR 98 10.144 5.266 19.338 810 HE1 TYR 98 1HE TYR 98 12.935 9.141 18.011 811 HE2 TYR 98 2HE TYR 98 11.256 6.621 21.066 812 HH TYR 98 HH TYR 98 13.035 8.133 21.334 813 H GLN 99 H GLN 99 10.748 5.294 13.769 814 HA GLN 99 HA GLN 99 8.896 3.114 13.119 815 HB2 GLN 99 2HB GLN 99 9.144 5.870 11.900 816 HB3 GLN 99 1HB GLN 99 7.989 4.662 11.383 817 HG2 GLN 99 2HG GLN 99 7.984 5.226 14.318 818 HG3 GLN 99 1HG GLN 99 7.435 6.531 13.286 819 HE21 GLN 99 1HE2 GLN 99 6.992 2.952 13.308 820 HE22 GLN 99 2HE2 GLN 99 5.318 3.017 13.084 821 HA PRO 100 HA PRO 100 11.691 1.648 9.981 822 HB2 PRO 100 2HB PRO 100 9.962 0.365 8.389 823 HB3 PRO 100 1HB PRO 100 10.321 -0.253 10.014 824 HG2 PRO 100 2HG PRO 100 8.005 1.351 9.071 825 HG3 PRO 100 1HG PRO 100 8.018 -0.068 10.142 826 HD2 PRO 100 2HD PRO 100 7.817 2.440 11.135 827 HD3 PRO 100 1HD PRO 100 8.678 1.144 12.009 828 H ASP 101 H ASP 101 12.361 2.146 7.914 829 HA ASP 101 HA ASP 101 11.297 4.522 6.593 830 HB2 ASP 101 2HB ASP 101 13.366 2.498 5.637 831 HB3 ASP 101 1HB ASP 101 12.869 3.917 4.784 832 H PHE 102 H PHE 102 10.061 4.493 4.701 833 HA PHE 102 HA PHE 102 8.910 1.887 3.941 834 HB2 PHE 102 2HB PHE 102 8.273 4.666 2.903 835 HB3 PHE 102 1HB PHE 102 7.431 3.175 2.502 836 HD1 PHE 102 1HD PHE 102 6.676 1.738 4.642 837 HD2 PHE 102 2HD PHE 102 7.311 5.986 4.596 838 HE1 PHE 102 1HE PHE 102 5.234 1.975 6.622 839 HE2 PHE 102 2HE PHE 102 5.870 6.226 6.574 840 HZ PHE 102 HZ PHE 102 4.823 4.197 7.600 841 H ILE 103 H ILE 103 10.523 0.884 2.875 842 HA ILE 103 HA ILE 103 12.449 2.213 1.317 843 HB ILE 103 HB ILE 103 11.588 -0.695 1.299 844 HG12 ILE 103 2HG1 ILE 103 14.005 0.652 2.630 845 HG13 ILE 103 1HG1 ILE 103 12.517 0.241 3.450 846 HG21 ILE 103 1HG2 ILE 103 12.751 -0.298 -0.774 847 HG22 ILE 103 2HG2 ILE 103 13.941 -1.001 0.311 848 HG23 ILE 103 3HG2 ILE 103 13.946 0.732 0.012 849 HD11 ILE 103 3HD1 ILE 103 13.535 -2.022 1.906 850 HD12 ILE 103 1HD1 ILE 103 13.017 -1.927 3.590 851 HD13 ILE 103 2HD1 ILE 103 14.658 -1.462 3.131 852 H ASN 104 H ASN 104 9.517 0.446 0.478 853 HA ASN 104 HA ASN 104 9.376 1.870 -2.063 854 HB2 ASN 104 2HB ASN 104 10.554 -0.043 -2.746 855 HB3 ASN 104 1HB ASN 104 9.554 -1.114 -1.778 856 HD21 ASN 104 1HD2 ASN 104 8.595 1.534 -4.094 857 HD22 ASN 104 2HD2 ASN 104 7.616 0.512 -5.017 858 H MET 105 H MET 105 7.281 2.149 -2.767 859 HA MET 105 HA MET 105 5.273 0.462 -1.884 860 HB2 MET 105 2HB MET 105 4.217 1.534 -0.223 861 HB3 MET 105 1HB MET 105 5.741 2.407 -0.009 862 HG2 MET 105 2HG MET 105 4.114 4.026 -0.048 863 HG3 MET 105 1HG MET 105 4.729 4.104 -1.702 864 HE1 MET 105 3HE MET 105 0.760 3.013 0.039 865 HE2 MET 105 1HE MET 105 2.345 3.150 0.814 866 HE3 MET 105 2HE MET 105 1.815 1.618 0.139 867 H TYR 106 H TYR 106 3.585 0.460 -3.278 868 HA TYR 106 HA TYR 106 3.216 2.738 -5.057 869 HB2 TYR 106 2HB TYR 106 3.375 1.395 -7.102 870 HB3 TYR 106 1HB TYR 106 4.901 1.400 -6.234 871 HD1 TYR 106 1HD TYR 106 1.972 -0.618 -7.195 872 HD2 TYR 106 2HD TYR 106 5.734 -0.621 -5.107 873 HE1 TYR 106 1HE TYR 106 1.938 -3.079 -7.141 874 HE2 TYR 106 2HE TYR 106 5.701 -3.082 -5.051 875 HH TYR 106 HH TYR 106 2.975 -4.917 -6.483 876 H VAL 107 H VAL 107 1.336 2.599 -6.379 877 HA VAL 107 HA VAL 107 -0.748 0.963 -5.085 878 HB VAL 107 HB VAL 107 -0.863 3.711 -6.345 879 HG11 VAL 107 1HG1 VAL 107 -3.264 3.672 -5.695 880 HG12 VAL 107 2HG1 VAL 107 -3.108 1.963 -5.301 881 HG13 VAL 107 3HG1 VAL 107 -2.875 2.512 -6.963 882 HG21 VAL 107 3HG2 VAL 107 -1.912 3.982 -3.873 883 HG22 VAL 107 1HG2 VAL 107 -0.182 4.118 -4.177 884 HG23 VAL 107 2HG2 VAL 107 -0.843 2.615 -3.563 885 H ASP 108 H ASP 108 -1.699 -0.452 -6.300 886 HA ASP 108 HA ASP 108 -1.293 -0.448 -9.222 887 HB2 ASP 108 2HB ASP 108 -0.560 -2.449 -7.700 888 HB3 ASP 108 1HB ASP 108 -2.263 -2.711 -7.509 889 H VAL 109 H VAL 109 -3.023 0.409 -10.288 890 HA VAL 109 HA VAL 109 -5.711 -0.082 -9.174 891 HB VAL 109 HB VAL 109 -4.948 2.278 -10.896 892 HG11 VAL 109 1HG1 VAL 109 -7.345 1.799 -10.794 893 HG12 VAL 109 2HG1 VAL 109 -6.986 3.254 -9.887 894 HG13 VAL 109 3HG1 VAL 109 -7.292 1.752 -9.027 895 HG21 VAL 109 3HG2 VAL 109 -3.669 2.860 -9.078 896 HG22 VAL 109 1HG2 VAL 109 -4.551 1.806 -7.975 897 HG23 VAL 109 2HG2 VAL 109 -5.225 3.368 -8.426 898 HA PRO 110 HA PRO 110 -6.410 -2.225 -13.055 899 HB2 PRO 110 2HB PRO 110 -9.067 -2.492 -12.912 900 HB3 PRO 110 1HB PRO 110 -7.989 -3.413 -11.841 901 HG2 PRO 110 2HG PRO 110 -9.531 -0.924 -11.246 902 HG3 PRO 110 1HG PRO 110 -9.333 -2.385 -10.260 903 HD2 PRO 110 2HD PRO 110 -7.882 -0.145 -9.813 904 HD3 PRO 110 1HD PRO 110 -7.249 -1.768 -9.484 905 H GLY 111 H GLY 111 -7.065 -1.603 -15.140 906 HA2 GLY 111 2HA GLY 111 -7.852 -0.280 -16.856 907 HA3 GLY 111 1HA GLY 111 -8.935 0.466 -15.682 908 H GLU 112 H GLU 112 -6.896 1.422 -13.907 909 HA GLU 112 HA GLU 112 -5.839 3.652 -15.504 910 HB2 GLU 112 2HB GLU 112 -5.872 3.456 -12.479 911 HB3 GLU 112 1HB GLU 112 -5.719 4.889 -13.489 912 HG2 GLU 112 2HG GLU 112 -8.228 3.171 -13.268 913 HG3 GLU 112 1HG GLU 112 -7.933 4.720 -12.493 914 H LYS 113 H LYS 113 -3.635 4.459 -14.733 915 HA LYS 113 HA LYS 113 -1.830 2.222 -14.956 916 HB2 LYS 113 2HB LYS 113 -1.258 5.186 -14.713 917 HB3 LYS 113 1HB LYS 113 -0.023 3.931 -14.797 918 HG2 LYS 113 2HG LYS 113 -0.225 4.465 -17.031 919 HG3 LYS 113 1HG LYS 113 -1.330 3.100 -16.922 920 HD2 LYS 113 2HD LYS 113 -2.869 5.348 -16.204 921 HD3 LYS 113 1HD LYS 113 -1.911 5.899 -17.549 922 HE2 LYS 113 2HE LYS 113 -3.420 3.289 -17.604 923 HE3 LYS 113 1HE LYS 113 -4.109 4.802 -18.147 924 HZ1 LYS 113 3HZ LYS 113 -2.366 5.021 -19.797 925 HZ2 LYS 113 1HZ LYS 113 -3.082 3.504 -19.948 926 HZ3 LYS 113 2HZ LYS 113 -1.575 3.630 -19.205 927 H ARG 114 H ARG 114 -0.205 1.642 -13.543 928 HA ARG 114 HA ARG 114 -0.831 1.669 -10.755 929 HB2 ARG 114 2HB ARG 114 1.196 0.415 -10.526 930 HB3 ARG 114 1HB ARG 114 0.400 -0.156 -11.996 931 HG2 ARG 114 2HG ARG 114 1.842 1.541 -13.274 932 HG3 ARG 114 1HG ARG 114 2.742 1.759 -11.782 933 HD2 ARG 114 2HD ARG 114 3.174 -0.756 -11.774 934 HD3 ARG 114 1HD ARG 114 2.385 -0.733 -13.366 935 HE ARG 114 HE ARG 114 4.372 1.206 -13.476 936 HH11 ARG 114 1HH2 ARG 114 4.181 -2.273 -13.090 937 HH12 ARG 114 2HH2 ARG 114 5.729 -2.542 -13.768 938 HH21 ARG 114 1HH1 ARG 114 6.405 0.823 -14.353 939 HH22 ARG 114 2HH1 ARG 114 7.007 -0.776 -14.480 940 H TYR 115 H TYR 115 0.255 2.825 -9.117 941 HA TYR 115 HA TYR 115 2.007 5.041 -10.048 942 HB2 TYR 115 2HB TYR 115 -0.324 5.738 -9.367 943 HB3 TYR 115 1HB TYR 115 0.091 5.258 -7.722 944 HD1 TYR 115 1HD TYR 115 0.879 7.573 -10.495 945 HD2 TYR 115 2HD TYR 115 1.646 6.591 -6.382 946 HE1 TYR 115 1HE TYR 115 2.005 9.747 -10.196 947 HE2 TYR 115 2HE TYR 115 2.781 8.766 -6.077 948 HH TYR 115 HH TYR 115 2.510 11.247 -8.431 949 H TYR 116 H TYR 116 3.994 4.962 -9.158 950 HA TYR 116 HA TYR 116 4.387 3.347 -6.723 951 HB2 TYR 116 2HB TYR 116 6.269 4.550 -8.746 952 HB3 TYR 116 1HB TYR 116 6.841 3.932 -7.196 953 HD1 TYR 116 1HD TYR 116 4.740 2.940 -10.139 954 HD2 TYR 116 2HD TYR 116 7.396 1.632 -7.021 955 HE1 TYR 116 1HE TYR 116 4.740 0.668 -11.089 956 HE2 TYR 116 2HE TYR 116 7.386 -0.641 -7.970 957 HH TYR 116 HH TYR 116 5.699 -2.003 -9.452 958 H LEU 117 H LEU 117 3.600 4.583 -5.116 959 HA LEU 117 HA LEU 117 4.024 7.366 -4.827 960 HB2 LEU 117 2HB LEU 117 2.234 6.169 -3.637 961 HB3 LEU 117 1HB LEU 117 3.433 5.275 -2.718 962 HG LEU 117 HG LEU 117 4.316 7.428 -1.796 963 HD11 LEU 117 1HD1 LEU 117 2.194 8.558 -3.591 964 HD12 LEU 117 2HD1 LEU 117 3.855 9.104 -3.321 965 HD13 LEU 117 3HD1 LEU 117 2.631 9.396 -2.104 966 HD21 LEU 117 3HD2 LEU 117 1.411 7.627 -1.197 967 HD22 LEU 117 1HD2 LEU 117 2.801 7.454 -0.133 968 HD23 LEU 117 2HD2 LEU 117 2.143 6.036 -0.940 969 H ILE 118 H ILE 118 5.680 4.501 -3.555 970 HA ILE 118 HA ILE 118 7.962 6.229 -2.873 971 HB ILE 118 HB ILE 118 6.981 3.785 -1.401 972 HG12 ILE 118 2HG1 ILE 118 7.171 6.687 -0.489 973 HG13 ILE 118 1HG1 ILE 118 5.685 5.911 -1.005 974 HG21 ILE 118 1HG2 ILE 118 8.884 3.818 -0.124 975 HG22 ILE 118 2HG2 ILE 118 9.122 5.544 -0.312 976 HG23 ILE 118 3HG2 ILE 118 9.615 4.450 -1.601 977 HD11 ILE 118 3HD1 ILE 118 7.028 5.765 1.535 978 HD12 ILE 118 1HD1 ILE 118 6.818 4.153 0.861 979 HD13 ILE 118 2HD1 ILE 118 5.413 5.196 1.108 980 H LYS 119 H LYS 119 9.684 5.770 -4.013 981 HA LYS 119 HA LYS 119 9.747 3.336 -5.596 982 HB2 LYS 119 2HB LYS 119 11.682 5.628 -5.623 983 HB3 LYS 119 1HB LYS 119 11.468 4.428 -6.891 984 HG2 LYS 119 2HG LYS 119 9.024 6.003 -6.096 985 HG3 LYS 119 1HG LYS 119 10.289 6.854 -6.950 986 HD2 LYS 119 2HD LYS 119 10.246 5.048 -8.726 987 HD3 LYS 119 1HD LYS 119 8.866 4.352 -7.881 988 HE2 LYS 119 2HE LYS 119 8.140 5.814 -9.756 989 HE3 LYS 119 1HE LYS 119 7.563 6.405 -8.199 990 HZ1 LYS 119 3HZ LYS 119 9.524 7.543 -10.020 991 HZ2 LYS 119 1HZ LYS 119 9.917 7.712 -8.400 992 HZ3 LYS 119 2HZ LYS 119 8.477 8.337 -8.977 993 HA PRO 120 HA PRO 120 12.589 1.461 -2.690 994 HB2 PRO 120 2HB PRO 120 13.540 -0.361 -4.660 995 HB3 PRO 120 1HB PRO 120 12.450 -0.691 -3.317 996 HG2 PRO 120 2HG PRO 120 11.735 -0.734 -5.973 997 HG3 PRO 120 1HG PRO 120 10.614 -0.619 -4.657 998 HD2 PRO 120 2HD PRO 120 11.438 1.515 -6.523 999 HD3 PRO 120 1HD PRO 120 10.008 1.393 -5.485 1000 H LYS 121 H LYS 121 14.939 0.349 -3.158 1001 HA LYS 121 HA LYS 121 16.688 2.604 -3.507 1002 HB2 LYS 121 2HB LYS 121 17.568 -0.276 -3.376 1003 HB3 LYS 121 1HB LYS 121 18.423 1.153 -2.833 1004 HG2 LYS 121 2HG LYS 121 15.941 -0.047 -1.634 1005 HG3 LYS 121 1HG LYS 121 17.531 -0.015 -0.894 1006 HD2 LYS 121 2HD LYS 121 16.783 2.719 -1.577 1007 HD3 LYS 121 1HD LYS 121 15.476 1.963 -0.723 1008 HE2 LYS 121 2HE LYS 121 16.585 2.497 1.160 1009 HE3 LYS 121 1HE LYS 121 17.576 1.084 0.827 1010 HZ1 LYS 121 3HZ LYS 121 19.153 2.491 -0.333 1011 HZ2 LYS 121 1HZ LYS 121 18.877 3.107 1.214 1012 HZ3 LYS 121 2HZ LYS 121 18.159 3.844 -0.126 1013 H LEU 122 H LEU 122 15.351 2.400 -5.891 1014 HA LEU 122 HA LEU 122 16.684 0.783 -7.736 1015 HB2 LEU 122 2HB LEU 122 14.787 3.104 -7.968 1016 HB3 LEU 122 1HB LEU 122 15.552 2.443 -9.399 1017 HG LEU 122 HG LEU 122 14.712 0.215 -8.904 1018 HD11 LEU 122 1HD1 LEU 122 13.519 1.490 -6.454 1019 HD12 LEU 122 2HD1 LEU 122 14.728 0.178 -6.512 1020 HD13 LEU 122 3HD1 LEU 122 13.098 -0.089 -7.102 1021 HD21 LEU 122 3HD2 LEU 122 12.273 0.656 -9.149 1022 HD22 LEU 122 1HD2 LEU 122 13.223 1.710 -10.193 1023 HD23 LEU 122 2HD2 LEU 122 12.542 2.328 -8.689 1024 H HIS 123 H HIS 123 18.334 1.272 -9.178 1025 HA HIS 123 HA HIS 123 20.063 3.419 -8.442 1026 HB2 HIS 123 2HB HIS 123 21.324 2.611 -10.545 1027 HB3 HIS 123 1HB HIS 123 21.307 1.552 -9.137 1028 HD1 HIS 123 1HD HIS 123 18.450 2.050 -11.568 1029 HD2 HIS 123 2HD HIS 123 21.239 -0.889 -10.577 1030 HE1 HIS 123 1HE HIS 123 17.779 -0.063 -12.845 1031 HE2 HIS 123 2HE HIS 123 19.479 -1.851 -12.240 1032 HA PRO 124 HA PRO 124 17.755 6.149 -11.239 1033 HB2 PRO 124 2HB PRO 124 19.001 8.444 -10.550 1034 HB3 PRO 124 1HB PRO 124 17.836 7.644 -9.483 1035 HG2 PRO 124 2HG PRO 124 20.803 7.654 -9.312 1036 HG3 PRO 124 1HG PRO 124 19.571 7.716 -8.038 1037 HD2 PRO 124 2HD PRO 124 20.940 5.424 -8.787 1038 HD3 PRO 124 1HD PRO 124 19.411 5.449 -7.888 1039 H VAL 125 H VAL 125 19.178 8.331 -12.385 1040 HA VAL 125 HA VAL 125 20.581 7.126 -14.525 1041 HB VAL 125 HB VAL 125 20.731 9.934 -13.433 1042 HG11 VAL 125 1HG1 VAL 125 21.307 10.349 -15.974 1043 HG12 VAL 125 2HG1 VAL 125 21.793 8.656 -15.943 1044 HG13 VAL 125 3HG1 VAL 125 22.566 9.817 -14.865 1045 HG21 VAL 125 3HG2 VAL 125 18.517 8.650 -14.563 1046 HG22 VAL 125 1HG2 VAL 125 19.219 9.506 -15.931 1047 HG23 VAL 125 2HG2 VAL 125 18.755 10.383 -14.484 1048 H SER 126 H SER 126 21.593 8.778 -11.595 1049 HA SER 126 HA SER 126 24.391 8.228 -11.921 1050 HB2 SER 126 2HB SER 126 22.890 8.951 -9.410 1051 HB3 SER 126 1HB SER 126 24.615 9.170 -9.727 1052 HG SER 126 HG SER 126 23.454 11.089 -10.018 1053 H ASN 127 H ASN 127 25.582 6.654 -10.846 1054 HA ASN 127 HA ASN 127 25.483 4.957 -8.975 1055 HB2 ASN 127 2HB ASN 127 24.141 3.017 -9.316 1056 HB3 ASN 127 1HB ASN 127 23.038 4.362 -9.300 1057 HD21 ASN 127 1HD2 ASN 127 22.282 5.099 -11.525 1058 HD22 ASN 127 2HD2 ASN 127 22.228 3.985 -12.795 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -3.868 -6.401 17.842 2 HA2 GLY 1 2HA GLY 1 -1.730 -7.995 16.934 3 HA3 GLY 1 1HA GLY 1 -2.654 -7.421 15.546 4 H ALA 2 H ALA 2 -1.354 -6.185 18.610 5 HA ALA 2 HA ALA 2 -1.235 -3.489 17.850 6 HB1 ALA 2 1HB ALA 2 0.160 -5.119 19.950 7 HB2 ALA 2 2HB ALA 2 -0.934 -3.740 20.135 8 HB3 ALA 2 3HB ALA 2 0.717 -3.488 19.602 9 H MET 3 H MET 3 1.269 -5.993 17.825 10 HA MET 3 HA MET 3 3.379 -6.008 16.879 11 HB2 MET 3 2HB MET 3 1.620 -5.128 14.566 12 HB3 MET 3 1HB MET 3 3.268 -5.743 14.398 13 HG2 MET 3 2HG MET 3 2.601 -7.855 15.525 14 HG3 MET 3 1HG MET 3 0.951 -7.263 15.656 15 HE1 MET 3 3HE MET 3 0.286 -5.969 12.529 16 HE2 MET 3 1HE MET 3 -0.461 -6.604 14.004 17 HE3 MET 3 2HE MET 3 -0.675 -7.439 12.477 18 H GLY 4 H GLY 4 3.240 -3.800 18.398 19 HA2 GLY 4 2HA GLY 4 4.251 -1.775 18.775 20 HA3 GLY 4 1HA GLY 4 5.186 -2.063 17.314 21 H SER 5 H SER 5 1.780 -2.180 16.947 22 HA SER 5 HA SER 5 0.342 -0.955 15.715 23 HB2 SER 5 2HB SER 5 1.053 1.720 16.071 24 HB3 SER 5 1HB SER 5 -0.123 0.819 17.017 25 HG SER 5 HG SER 5 2.681 1.083 17.486 26 H GLY 6 H GLY 6 3.354 -1.426 14.897 27 HA2 GLY 6 2HA GLY 6 4.061 0.578 13.110 28 HA3 GLY 6 1HA GLY 6 4.618 -1.083 13.022 29 H ASP 7 H ASP 7 2.479 -2.554 12.436 30 HA ASP 7 HA ASP 7 2.092 -2.048 9.678 31 HB2 ASP 7 2HB ASP 7 0.358 -3.917 11.407 32 HB3 ASP 7 1HB ASP 7 0.508 -3.830 9.703 33 H THR 8 H THR 8 0.132 -1.495 12.517 34 HA THR 8 HA THR 8 -2.201 -0.508 11.307 35 HB THR 8 HB THR 8 -1.001 0.436 13.912 36 HG1 THR 8 1HG THR 8 -2.277 -1.510 14.676 37 HG21 THR 8 3HG2 THR 8 -3.881 -0.241 13.563 38 HG22 THR 8 1HG2 THR 8 -3.287 1.199 12.729 39 HG23 THR 8 2HG2 THR 8 -3.111 1.060 14.469 40 H GLN 9 H GLN 9 0.715 1.130 12.543 41 HA GLN 9 HA GLN 9 -0.027 3.748 11.782 42 HB2 GLN 9 2HB GLN 9 2.462 2.398 12.686 43 HB3 GLN 9 1HB GLN 9 2.662 3.864 11.749 44 HG2 GLN 9 2HG GLN 9 0.593 3.950 13.876 45 HG3 GLN 9 1HG GLN 9 2.257 3.888 14.408 46 HE21 GLN 9 1HE2 GLN 9 0.070 5.786 12.293 47 HE22 GLN 9 2HE2 GLN 9 0.980 7.210 12.369 48 H LEU 10 H LEU 10 2.028 1.303 10.227 49 HA LEU 10 HA LEU 10 2.690 2.925 8.039 50 HB2 LEU 10 2HB LEU 10 2.558 -0.079 8.210 51 HB3 LEU 10 1HB LEU 10 3.272 0.810 6.869 52 HG LEU 10 HG LEU 10 4.234 0.773 9.759 53 HD11 LEU 10 1HD1 LEU 10 5.883 -0.496 9.108 54 HD12 LEU 10 2HD1 LEU 10 6.051 0.370 7.552 55 HD13 LEU 10 3HD1 LEU 10 4.826 -0.885 7.736 56 HD21 LEU 10 3HD2 LEU 10 6.080 2.247 8.291 57 HD22 LEU 10 1HD2 LEU 10 4.951 2.896 9.458 58 HD23 LEU 10 2HD2 LEU 10 4.555 2.902 7.744 59 H PHE 11 H PHE 11 0.020 0.704 8.561 60 HA PHE 11 HA PHE 11 -1.076 0.804 5.979 61 HB2 PHE 11 2HB PHE 11 -1.893 -0.778 7.507 62 HB3 PHE 11 1HB PHE 11 -2.322 0.444 8.691 63 HD1 PHE 11 1HD PHE 11 -3.137 -0.607 5.156 64 HD2 PHE 11 2HD PHE 11 -4.468 1.418 8.722 65 HE1 PHE 11 1HE PHE 11 -5.371 -0.319 4.167 66 HE2 PHE 11 2HE PHE 11 -6.705 1.694 7.725 67 HZ PHE 11 HZ PHE 11 -7.168 0.828 5.448 68 H ASN 12 H ASN 12 -1.765 2.817 8.845 69 HA ASN 12 HA ASN 12 -3.623 4.497 7.527 70 HB2 ASN 12 2HB ASN 12 -1.791 5.257 9.825 71 HB3 ASN 12 1HB ASN 12 -3.139 6.145 9.252 72 HD21 ASN 12 1HD2 ASN 12 -2.478 3.939 11.637 73 HD22 ASN 12 2HD2 ASN 12 -4.044 3.304 11.854 74 H ARG 13 H ARG 13 -0.151 4.697 8.101 75 HA ARG 13 HA ARG 13 0.306 7.199 6.898 76 HB2 ARG 13 2HB ARG 13 2.043 4.756 7.294 77 HB3 ARG 13 1HB ARG 13 2.649 6.289 6.681 78 HG2 ARG 13 2HG ARG 13 2.012 7.464 8.674 79 HG3 ARG 13 1HG ARG 13 1.175 6.079 9.342 80 HD2 ARG 13 2HD ARG 13 3.204 4.825 9.456 81 HD3 ARG 13 1HD ARG 13 4.200 6.096 8.773 82 HE ARG 13 HE ARG 13 3.250 5.795 11.482 83 HH11 ARG 13 1HH2 ARG 13 4.156 8.170 9.087 84 HH12 ARG 13 2HH2 ARG 13 4.618 9.345 10.229 85 HH21 ARG 13 1HH1 ARG 13 3.839 7.317 12.993 86 HH22 ARG 13 2HH1 ARG 13 4.462 8.843 12.525 87 H ALA 14 H ALA 14 0.518 3.885 5.613 88 HA ALA 14 HA ALA 14 1.243 4.621 2.981 89 HB1 ALA 14 1HB ALA 14 1.522 2.331 3.812 90 HB2 ALA 14 2HB ALA 14 0.523 2.356 2.348 91 HB3 ALA 14 3HB ALA 14 -0.230 2.166 3.922 92 H VAL 15 H VAL 15 -1.937 3.738 4.335 93 HA VAL 15 HA VAL 15 -3.309 4.234 1.946 94 HB VAL 15 HB VAL 15 -4.081 2.891 4.004 95 HG11 VAL 15 1HG1 VAL 15 -5.391 4.064 5.640 96 HG12 VAL 15 2HG1 VAL 15 -5.165 5.601 4.795 97 HG13 VAL 15 3HG1 VAL 15 -3.798 4.810 5.568 98 HG21 VAL 15 3HG2 VAL 15 -5.611 2.955 2.220 99 HG22 VAL 15 1HG2 VAL 15 -5.777 4.705 2.301 100 HG23 VAL 15 2HG2 VAL 15 -6.542 3.695 3.511 101 H SER 16 H SER 16 -2.544 6.353 4.724 102 HA SER 16 HA SER 16 -4.198 8.481 3.915 103 HB2 SER 16 2HB SER 16 -1.678 8.468 5.584 104 HB3 SER 16 1HB SER 16 -2.782 9.802 5.508 105 HG SER 16 HG SER 16 -3.163 7.192 6.422 106 H MET 17 H MET 17 -0.801 7.692 3.241 107 HA MET 17 HA MET 17 -0.336 10.064 1.778 108 HB2 MET 17 2HB MET 17 1.075 7.395 1.591 109 HB3 MET 17 1HB MET 17 1.630 8.904 0.854 110 HG2 MET 17 2HG MET 17 1.559 9.948 3.179 111 HG3 MET 17 1HG MET 17 1.283 8.410 3.825 112 HE1 MET 17 3HE MET 17 2.806 6.469 4.032 113 HE2 MET 17 1HE MET 17 4.320 6.236 3.144 114 HE3 MET 17 2HE MET 17 2.785 6.274 2.292 115 H VAL 18 H VAL 18 -1.389 6.814 0.746 116 HA VAL 18 HA VAL 18 -1.308 7.521 -1.998 117 HB VAL 18 HB VAL 18 -2.493 5.374 -2.421 118 HG11 VAL 18 1HG1 VAL 18 -0.036 5.452 -2.266 119 HG12 VAL 18 2HG1 VAL 18 -0.658 3.966 -1.558 120 HG13 VAL 18 3HG1 VAL 18 -0.140 5.284 -0.512 121 HG21 VAL 18 3HG2 VAL 18 -3.850 4.755 -0.685 122 HG22 VAL 18 1HG2 VAL 18 -2.859 5.602 0.497 123 HG23 VAL 18 2HG2 VAL 18 -2.377 4.003 -0.063 124 H GLU 19 H GLU 19 -4.058 7.325 0.269 125 HA GLU 19 HA GLU 19 -6.103 7.713 -1.624 126 HB2 GLU 19 2HB GLU 19 -5.942 8.660 1.250 127 HB3 GLU 19 1HB GLU 19 -7.393 8.684 0.231 128 HG2 GLU 19 2HG GLU 19 -7.314 6.213 0.055 129 HG3 GLU 19 1HG GLU 19 -5.859 6.202 0.984 130 H LYS 20 H LYS 20 -4.041 9.941 0.067 131 HA LYS 20 HA LYS 20 -5.471 12.265 -0.948 132 HB2 LYS 20 2HB LYS 20 -3.012 12.221 0.802 133 HB3 LYS 20 1HB LYS 20 -4.204 13.513 0.647 134 HG2 LYS 20 2HG LYS 20 -4.841 10.736 1.727 135 HG3 LYS 20 1HG LYS 20 -4.507 12.133 2.734 136 HD2 LYS 20 2HD LYS 20 -6.633 12.917 2.495 137 HD3 LYS 20 1HD LYS 20 -6.553 12.789 0.756 138 HE2 LYS 20 2HE LYS 20 -8.346 11.303 1.643 139 HE3 LYS 20 1HE LYS 20 -7.075 10.431 0.844 140 HZ1 LYS 20 3HZ LYS 20 -7.652 10.576 3.714 141 HZ2 LYS 20 1HZ LYS 20 -6.066 10.287 3.242 142 HZ3 LYS 20 2HZ LYS 20 -7.315 9.208 2.797 143 H ASN 21 H ASN 21 -2.996 10.349 -2.102 144 HA ASN 21 HA ASN 21 -1.310 12.375 -3.232 145 HB2 ASN 21 2HB ASN 21 -0.571 9.969 -2.896 146 HB3 ASN 21 1HB ASN 21 -1.644 9.538 -4.215 147 HD21 ASN 21 1HD2 ASN 21 1.535 10.612 -3.524 148 HD22 ASN 21 2HD2 ASN 21 1.976 10.986 -5.110 149 H LYS 22 H LYS 22 -1.719 13.612 -4.875 150 HA LYS 22 HA LYS 22 -4.112 13.905 -6.181 151 HB2 LYS 22 2HB LYS 22 -2.925 15.328 -7.755 152 HB3 LYS 22 1HB LYS 22 -2.315 15.617 -6.135 153 HG2 LYS 22 2HG LYS 22 -0.938 13.896 -8.280 154 HG3 LYS 22 1HG LYS 22 -0.470 15.480 -7.749 155 HD2 LYS 22 2HD LYS 22 -0.034 14.650 -5.450 156 HD3 LYS 22 1HD LYS 22 -0.489 13.043 -5.917 157 HE2 LYS 22 2HE LYS 22 1.632 14.311 -7.587 158 HE3 LYS 22 1HE LYS 22 2.025 13.825 -5.934 159 HZ1 LYS 22 3HZ LYS 22 0.679 11.644 -6.768 160 HZ2 LYS 22 1HZ LYS 22 2.348 11.792 -6.945 161 HZ3 LYS 22 2HZ LYS 22 1.350 12.164 -8.229 162 H ASP 23 H ASP 23 -1.246 12.211 -7.362 163 HA ASP 23 HA ASP 23 -2.305 11.469 -9.872 164 HB2 ASP 23 2HB ASP 23 -0.056 10.511 -8.162 165 HB3 ASP 23 1HB ASP 23 -0.523 9.581 -9.536 166 H ILE 24 H ILE 24 -2.025 9.733 -6.822 167 HA ILE 24 HA ILE 24 -3.416 7.438 -7.720 168 HB ILE 24 HB ILE 24 -2.957 8.458 -4.904 169 HG12 ILE 24 2HG1 ILE 24 -1.683 6.151 -6.408 170 HG13 ILE 24 1HG1 ILE 24 -0.962 7.760 -6.374 171 HG21 ILE 24 1HG2 ILE 24 -3.357 5.789 -4.666 172 HG22 ILE 24 2HG2 ILE 24 -4.462 6.154 -5.994 173 HG23 ILE 24 3HG2 ILE 24 -4.619 7.002 -4.446 174 HD11 ILE 24 3HD1 ILE 24 -0.384 7.600 -4.150 175 HD12 ILE 24 1HD1 ILE 24 -0.335 5.883 -4.577 176 HD13 ILE 24 2HD1 ILE 24 -1.764 6.557 -3.795 177 H ARG 25 H ARG 25 -4.423 10.401 -6.068 178 HA ARG 25 HA ARG 25 -7.135 9.812 -5.665 179 HB2 ARG 25 2HB ARG 25 -5.670 12.319 -6.341 180 HB3 ARG 25 1HB ARG 25 -7.418 12.306 -6.255 181 HG2 ARG 25 2HG ARG 25 -7.309 11.484 -3.922 182 HG3 ARG 25 1HG ARG 25 -5.562 11.373 -4.018 183 HD2 ARG 25 2HD ARG 25 -6.715 13.559 -2.982 184 HD3 ARG 25 1HD ARG 25 -5.236 13.662 -3.909 185 HE ARG 25 HE ARG 25 -6.384 14.835 -5.505 186 HH11 ARG 25 1HH2 ARG 25 -8.709 13.043 -3.610 187 HH12 ARG 25 2HH2 ARG 25 -10.055 13.610 -4.535 188 HH21 ARG 25 1HH1 ARG 25 -8.168 15.573 -6.688 189 HH22 ARG 25 2HH1 ARG 25 -9.746 15.075 -6.262 190 H SER 26 H SER 26 -5.447 11.066 -8.472 191 HA SER 26 HA SER 26 -7.679 11.290 -10.179 192 HB2 SER 26 2HB SER 26 -4.828 10.644 -10.869 193 HB3 SER 26 1HB SER 26 -6.029 11.331 -11.967 194 HG SER 26 HG SER 26 -4.811 12.424 -9.629 195 H LEU 27 H LEU 27 -5.409 8.643 -9.512 196 HA LEU 27 HA LEU 27 -6.562 6.724 -11.291 197 HB2 LEU 27 2HB LEU 27 -4.953 6.336 -8.752 198 HB3 LEU 27 1HB LEU 27 -5.404 5.068 -9.880 199 HG LEU 27 HG LEU 27 -3.783 7.510 -10.659 200 HD11 LEU 27 1HD1 LEU 27 -2.563 5.960 -9.113 201 HD12 LEU 27 2HD1 LEU 27 -1.863 6.083 -10.721 202 HD13 LEU 27 3HD1 LEU 27 -2.804 4.664 -10.291 203 HD21 LEU 27 3HD2 LEU 27 -4.708 6.806 -12.657 204 HD22 LEU 27 1HD2 LEU 27 -4.915 5.148 -12.101 205 HD23 LEU 27 2HD2 LEU 27 -3.323 5.712 -12.603 206 H LEU 28 H LEU 28 -7.129 7.595 -7.910 207 HA LEU 28 HA LEU 28 -9.116 5.512 -7.540 208 HB2 LEU 28 2HB LEU 28 -8.356 7.869 -5.797 209 HB3 LEU 28 1HB LEU 28 -9.385 6.578 -5.269 210 HG LEU 28 HG LEU 28 -6.470 6.329 -6.076 211 HD11 LEU 28 1HD1 LEU 28 -6.755 7.408 -3.911 212 HD12 LEU 28 2HD1 LEU 28 -6.155 5.778 -3.663 213 HD13 LEU 28 3HD1 LEU 28 -7.845 6.137 -3.375 214 HD21 LEU 28 3HD2 LEU 28 -8.145 4.157 -4.784 215 HD22 LEU 28 1HD2 LEU 28 -6.577 4.020 -5.543 216 HD23 LEU 28 2HD2 LEU 28 -7.975 4.244 -6.556 217 H GLN 29 H GLN 29 -9.116 8.352 -9.187 218 HA GLN 29 HA GLN 29 -10.713 9.876 -9.846 219 HB2 GLN 29 2HB GLN 29 -12.534 7.555 -9.168 220 HB3 GLN 29 1HB GLN 29 -12.997 8.971 -10.118 221 HG2 GLN 29 2HG GLN 29 -10.783 7.034 -10.860 222 HG3 GLN 29 1HG GLN 29 -12.397 7.016 -11.565 223 HE21 GLN 29 1HE2 GLN 29 -9.452 7.884 -12.475 224 HE22 GLN 29 2HE2 GLN 29 -9.780 9.299 -13.357 225 H CYS 30 H CYS 30 -9.809 9.869 -7.187 226 HA CYS 30 HA CYS 30 -11.859 10.038 -5.259 227 HB2 CYS 30 2HB CYS 30 -8.996 10.847 -5.374 228 HB3 CYS 30 1HB CYS 30 -9.974 11.445 -4.056 229 HG CYS 30 HG CYS 30 -9.998 8.380 -4.572 230 H ASP 31 H ASP 31 -13.427 11.103 -6.382 231 HA ASP 31 HA ASP 31 -13.201 14.020 -6.429 232 HB2 ASP 31 2HB ASP 31 -15.229 13.892 -7.721 233 HB3 ASP 31 1HB ASP 31 -14.003 12.936 -8.501 234 H ASP 32 H ASP 32 -15.967 14.405 -6.274 235 HA ASP 32 HA ASP 32 -17.461 13.279 -4.351 236 HB2 ASP 32 2HB ASP 32 -17.178 15.163 -2.504 237 HB3 ASP 32 1HB ASP 32 -16.190 13.710 -2.444 238 H GLY 33 H GLY 33 -19.280 14.669 -3.668 239 HA2 GLY 33 2HA GLY 33 -20.907 16.245 -4.075 240 HA3 GLY 33 1HA GLY 33 -19.644 17.279 -4.724 241 H ILE 34 H ILE 34 -18.773 15.717 -6.889 242 HA ILE 34 HA ILE 34 -20.650 16.443 -8.838 243 HB ILE 34 HB ILE 34 -18.343 16.281 -9.434 244 HG12 ILE 34 2HG1 ILE 34 -18.477 14.681 -11.434 245 HG13 ILE 34 1HG1 ILE 34 -20.046 14.193 -10.855 246 HG21 ILE 34 1HG2 ILE 34 -18.105 13.358 -9.471 247 HG22 ILE 34 2HG2 ILE 34 -18.197 14.037 -7.842 248 HG23 ILE 34 3HG2 ILE 34 -16.958 14.584 -8.968 249 HD11 ILE 34 3HD1 ILE 34 -20.095 17.036 -10.825 250 HD12 ILE 34 1HD1 ILE 34 -20.948 15.947 -11.917 251 HD13 ILE 34 2HD1 ILE 34 -19.361 16.557 -12.349 252 H THR 35 H THR 35 -20.000 13.292 -7.422 253 HA THR 35 HA THR 35 -22.627 12.443 -8.448 254 HB THR 35 HB THR 35 -21.622 10.742 -9.537 255 HG1 THR 35 1HG THR 35 -21.450 10.013 -6.914 256 HG21 THR 35 3HG2 THR 35 -19.143 10.279 -9.323 257 HG22 THR 35 1HG2 THR 35 -19.065 11.602 -8.166 258 HG23 THR 35 2HG2 THR 35 -19.583 11.893 -9.822 259 H GLY 36 H GLY 36 -22.360 13.917 -6.196 260 HA2 GLY 36 2HA GLY 36 -23.018 13.899 -4.006 261 HA3 GLY 36 1HA GLY 36 -23.189 12.138 -4.074 262 H LYS 37 H LYS 37 -21.928 11.937 -2.129 263 HA LYS 37 HA LYS 37 -19.038 12.221 -2.712 264 HB2 LYS 37 2HB LYS 37 -20.471 12.435 -0.058 265 HB3 LYS 37 1HB LYS 37 -18.742 12.206 -0.220 266 HG2 LYS 37 2HG LYS 37 -18.774 14.518 -0.155 267 HG3 LYS 37 1HG LYS 37 -18.888 14.266 -1.881 268 HD2 LYS 37 2HD LYS 37 -20.548 15.897 -1.243 269 HD3 LYS 37 1HD LYS 37 -21.400 14.436 -1.717 270 HE2 LYS 37 2HE LYS 37 -22.309 14.208 0.361 271 HE3 LYS 37 1HE LYS 37 -20.753 14.364 1.144 272 HZ1 LYS 37 3HZ LYS 37 -22.217 16.163 1.795 273 HZ2 LYS 37 1HZ LYS 37 -22.483 16.600 0.206 274 HZ3 LYS 37 2HZ LYS 37 -20.967 16.821 0.910 275 H GLU 38 H GLU 38 -18.147 10.382 -3.096 276 HA GLU 38 HA GLU 38 -19.392 7.893 -2.268 277 HB2 GLU 38 2HB GLU 38 -17.013 8.525 -3.986 278 HB3 GLU 38 1HB GLU 38 -17.489 6.861 -3.573 279 HG2 GLU 38 2HG GLU 38 -19.191 8.932 -4.986 280 HG3 GLU 38 1HG GLU 38 -18.289 7.579 -5.724 281 H ARG 39 H ARG 39 -18.193 6.294 -1.234 282 HA ARG 39 HA ARG 39 -16.551 7.409 0.975 283 HB2 ARG 39 2HB ARG 39 -17.828 4.674 0.772 284 HB3 ARG 39 1HB ARG 39 -17.080 5.391 2.190 285 HG2 ARG 39 2HG ARG 39 -19.502 6.552 0.782 286 HG3 ARG 39 1HG ARG 39 -19.587 5.518 2.198 287 HD2 ARG 39 2HD ARG 39 -18.141 7.174 3.418 288 HD3 ARG 39 1HD ARG 39 -18.261 8.254 2.054 289 HE ARG 39 HE ARG 39 -20.510 7.390 3.771 290 HH11 ARG 39 1HH2 ARG 39 -19.196 9.541 1.318 291 HH12 ARG 39 2HH2 ARG 39 -20.539 10.591 1.354 292 HH21 ARG 39 1HH1 ARG 39 -22.301 8.826 3.773 293 HH22 ARG 39 2HH1 ARG 39 -22.295 10.199 2.759 294 H LEU 40 H LEU 40 -14.417 6.870 1.231 295 HA LEU 40 HA LEU 40 -13.223 4.952 -0.634 296 HB2 LEU 40 2HB LEU 40 -11.911 6.799 1.409 297 HB3 LEU 40 1HB LEU 40 -11.073 5.643 0.410 298 HG LEU 40 HG LEU 40 -12.289 6.794 -1.606 299 HD11 LEU 40 1HD1 LEU 40 -12.461 9.313 -1.056 300 HD12 LEU 40 2HD1 LEU 40 -12.574 8.789 0.621 301 HD13 LEU 40 3HD1 LEU 40 -13.788 8.268 -0.541 302 HD21 LEU 40 3HD2 LEU 40 -10.421 8.723 -1.315 303 HD22 LEU 40 1HD2 LEU 40 -9.989 7.066 -1.713 304 HD23 LEU 40 2HD2 LEU 40 -9.880 7.647 -0.049 305 H LYS 41 H LYS 41 -12.405 3.006 0.000 306 HA LYS 41 HA LYS 41 -12.496 2.359 2.868 307 HB2 LYS 41 2HB LYS 41 -13.623 0.717 0.601 308 HB3 LYS 41 1HB LYS 41 -13.241 0.004 2.157 309 HG2 LYS 41 2HG LYS 41 -14.951 2.485 2.129 310 HG3 LYS 41 1HG LYS 41 -15.655 0.972 1.613 311 HD2 LYS 41 2HD LYS 41 -16.084 0.884 3.906 312 HD3 LYS 41 1HD LYS 41 -14.621 -0.050 3.782 313 HE2 LYS 41 2HE LYS 41 -14.671 1.683 5.620 314 HE3 LYS 41 1HE LYS 41 -13.252 1.739 4.577 315 HZ1 LYS 41 3HZ LYS 41 -14.321 3.923 5.062 316 HZ2 LYS 41 1HZ LYS 41 -15.673 3.472 4.173 317 HZ3 LYS 41 2HZ LYS 41 -14.137 3.648 3.438 318 H ALA 42 H ALA 42 -10.782 1.306 3.631 319 HA ALA 42 HA ALA 42 -8.944 0.112 1.688 320 HB1 ALA 42 1HB ALA 42 -8.179 1.900 4.000 321 HB2 ALA 42 2HB ALA 42 -7.957 2.250 2.292 322 HB3 ALA 42 3HB ALA 42 -7.022 0.954 3.062 323 H TYR 43 H TYR 43 -8.334 -1.888 2.208 324 HA TYR 43 HA TYR 43 -8.357 -2.840 4.936 325 HB2 TYR 43 2HB TYR 43 -10.005 -4.662 4.362 326 HB3 TYR 43 1HB TYR 43 -10.702 -3.052 4.546 327 HD1 TYR 43 2HD TYR 43 -11.447 -1.766 2.540 328 HD2 TYR 43 1HD TYR 43 -9.862 -5.740 2.199 329 HE1 TYR 43 2HE TYR 43 -12.312 -1.919 0.228 330 HE2 TYR 43 1HE TYR 43 -10.720 -5.879 -0.094 331 HH TYR 43 HH TYR 43 -12.363 -3.190 -1.671 332 H GLY 44 H GLY 44 -8.003 -5.426 4.845 333 HA2 GLY 44 2HA GLY 44 -5.550 -5.969 3.659 334 HA3 GLY 44 1HA GLY 44 -6.713 -7.129 4.216 335 H GLU 45 H GLU 45 -5.472 -7.893 2.039 336 HA GLU 45 HA GLU 45 -6.316 -7.222 -0.464 337 HB2 GLU 45 2HB GLU 45 -5.957 -9.869 0.738 338 HB3 GLU 45 1HB GLU 45 -6.289 -9.726 -1.006 339 HG2 GLU 45 2HG GLU 45 -4.235 -8.176 -1.097 340 HG3 GLU 45 1HG GLU 45 -3.891 -8.673 0.557 341 H LEU 46 H LEU 46 -8.040 -7.351 -1.700 342 HA LEU 46 HA LEU 46 -10.616 -7.649 -0.570 343 HB2 LEU 46 2HB LEU 46 -10.151 -6.177 -2.447 344 HB3 LEU 46 1HB LEU 46 -9.786 -7.562 -3.478 345 HG LEU 46 HG LEU 46 -12.456 -7.401 -2.054 346 HD11 LEU 46 1HD1 LEU 46 -11.614 -5.380 -3.788 347 HD12 LEU 46 2HD1 LEU 46 -13.230 -5.754 -3.261 348 HD13 LEU 46 3HD1 LEU 46 -12.641 -6.434 -4.770 349 HD21 LEU 46 3HD2 LEU 46 -12.582 -8.398 -4.725 350 HD22 LEU 46 1HD2 LEU 46 -12.777 -9.291 -3.229 351 HD23 LEU 46 2HD2 LEU 46 -11.187 -9.159 -3.979 352 H ILE 47 H ILE 47 -8.675 -9.810 -2.546 353 HA ILE 47 HA ILE 47 -10.142 -11.725 -3.465 354 HB ILE 47 HB ILE 47 -7.825 -12.134 -3.339 355 HG12 ILE 47 2HG1 ILE 47 -9.256 -14.284 -1.705 356 HG13 ILE 47 1HG1 ILE 47 -9.105 -14.210 -3.459 357 HG21 ILE 47 1HG2 ILE 47 -7.410 -12.974 -0.602 358 HG22 ILE 47 2HG2 ILE 47 -7.993 -11.299 -0.642 359 HG23 ILE 47 3HG2 ILE 47 -6.576 -11.773 -1.561 360 HD11 ILE 47 3HD1 ILE 47 -7.183 -15.353 -3.312 361 HD12 ILE 47 1HD1 ILE 47 -7.273 -15.326 -1.559 362 HD13 ILE 47 2HD1 ILE 47 -6.465 -14.023 -2.408 363 H THR 48 H THR 48 -9.310 -12.455 -0.133 364 HA THR 48 HA THR 48 -12.142 -13.072 0.391 365 HB THR 48 HB THR 48 -11.009 -15.212 0.364 366 HG1 THR 48 1HG THR 48 -12.409 -14.748 2.147 367 HG21 THR 48 3HG2 THR 48 -9.003 -15.509 1.963 368 HG22 THR 48 1HG2 THR 48 -8.897 -13.751 1.961 369 HG23 THR 48 2HG2 THR 48 -8.708 -14.663 0.463 370 H ASN 49 H ASN 49 -9.308 -11.397 1.353 371 HA ASN 49 HA ASN 49 -10.186 -10.993 4.083 372 HB2 ASN 49 2HB ASN 49 -7.784 -11.302 3.399 373 HB3 ASN 49 1HB ASN 49 -7.808 -9.608 2.831 374 HD21 ASN 49 1HD2 ASN 49 -8.647 -8.038 4.642 375 HD22 ASN 49 2HD2 ASN 49 -8.170 -8.394 6.225 376 H ASP 50 H ASP 50 -11.504 -9.792 1.514 377 HA ASP 50 HA ASP 50 -11.542 -6.993 1.998 378 HB2 ASP 50 2HB ASP 50 -13.714 -7.057 0.850 379 HB3 ASP 50 1HB ASP 50 -12.489 -7.906 -0.075 380 H LYS 51 H LYS 51 -13.085 -9.785 3.231 381 HA LYS 51 HA LYS 51 -15.096 -8.588 4.837 382 HB2 LYS 51 2HB LYS 51 -13.674 -11.250 5.115 383 HB3 LYS 51 1HB LYS 51 -15.201 -10.789 5.901 384 HG2 LYS 51 2HG LYS 51 -16.340 -10.606 3.840 385 HG3 LYS 51 1HG LYS 51 -14.855 -10.652 2.911 386 HD2 LYS 51 2HD LYS 51 -14.542 -13.028 3.994 387 HD3 LYS 51 1HD LYS 51 -16.264 -12.912 4.336 388 HE2 LYS 51 2HE LYS 51 -15.429 -14.000 2.087 389 HE3 LYS 51 1HE LYS 51 -16.864 -12.998 2.089 390 HZ1 LYS 51 3HZ LYS 51 -14.277 -11.571 1.553 391 HZ2 LYS 51 1HZ LYS 51 -15.824 -11.383 0.901 392 HZ3 LYS 51 2HZ LYS 51 -14.875 -12.647 0.420 393 H TRP 52 H TRP 52 -12.830 -10.591 6.579 394 HA TRP 52 HA TRP 52 -12.029 -8.240 8.203 395 HB2 TRP 52 2HB TRP 52 -12.327 -11.011 9.405 396 HB3 TRP 52 1HB TRP 52 -12.214 -9.439 10.204 397 HD1 TRP 52 HD TRP 52 -14.348 -7.913 10.231 398 HE1 TRP 52 1HE TRP 52 -16.826 -8.401 9.746 399 HE3 TRP 52 3HE TRP 52 -13.906 -12.447 7.938 400 HZ2 TRP 52 2HZ TRP 52 -18.413 -10.456 8.551 401 HZ3 TRP 52 3HZ TRP 52 -15.916 -13.647 7.137 402 HH2 TRP 52 HH TRP 52 -18.162 -12.656 7.442 403 H THR 53 H THR 53 -10.850 -11.464 8.720 404 HA THR 53 HA THR 53 -8.094 -10.503 8.418 405 HB THR 53 HB THR 53 -7.720 -12.352 10.098 406 HG1 THR 53 1HG THR 53 -9.885 -12.743 11.162 407 HG21 THR 53 3HG2 THR 53 -8.459 -10.958 11.909 408 HG22 THR 53 1HG2 THR 53 -9.756 -10.271 10.941 409 HG23 THR 53 2HG2 THR 53 -8.077 -9.855 10.600 410 H ARG 54 H ARG 54 -10.047 -12.197 6.519 411 HA ARG 54 HA ARG 54 -9.220 -14.755 6.352 412 HB2 ARG 54 2HB ARG 54 -10.409 -12.939 4.323 413 HB3 ARG 54 1HB ARG 54 -9.736 -14.474 3.792 414 HG2 ARG 54 2HG ARG 54 -11.972 -15.006 4.317 415 HG3 ARG 54 1HG ARG 54 -11.056 -15.571 5.697 416 HD2 ARG 54 2HD ARG 54 -12.324 -12.838 5.587 417 HD3 ARG 54 1HD ARG 54 -13.194 -14.268 6.102 418 HE ARG 54 HE ARG 54 -11.156 -12.876 7.643 419 HH11 ARG 54 1HH2 ARG 54 -12.705 -15.977 7.094 420 HH12 ARG 54 2HH2 ARG 54 -12.244 -16.603 8.611 421 HH21 ARG 54 1HH1 ARG 54 -10.538 -13.749 9.708 422 HH22 ARG 54 2HH1 ARG 54 -11.025 -15.343 10.076 423 H ASN 55 H ASN 55 -8.090 -13.107 3.473 424 HA ASN 55 HA ASN 55 -5.855 -14.890 3.472 425 HB2 ASN 55 2HB ASN 55 -6.840 -14.104 1.367 426 HB3 ASN 55 1HB ASN 55 -6.210 -12.473 1.632 427 HD21 ASN 55 1HD2 ASN 55 -4.712 -12.659 -0.267 428 HD22 ASN 55 2HD2 ASN 55 -3.408 -13.719 -0.184 429 H ARG 56 H ARG 56 -5.101 -11.524 2.801 430 HA ARG 56 HA ARG 56 -3.373 -11.568 5.174 431 HB2 ARG 56 2HB ARG 56 -2.224 -9.633 3.632 432 HB3 ARG 56 1HB ARG 56 -1.629 -11.259 3.835 433 HG2 ARG 56 2HG ARG 56 -3.704 -11.089 1.713 434 HG3 ARG 56 1HG ARG 56 -2.291 -10.089 1.431 435 HD2 ARG 56 2HD ARG 56 -0.823 -12.074 1.935 436 HD3 ARG 56 1HD ARG 56 -2.267 -13.068 1.964 437 HE ARG 56 HE ARG 56 -2.165 -11.533 -0.428 438 HH11 ARG 56 1HH2 ARG 56 -0.658 -14.221 1.206 439 HH12 ARG 56 2HH2 ARG 56 -0.243 -15.075 -0.208 440 HH21 ARG 56 1HH1 ARG 56 -1.632 -12.657 -2.370 441 HH22 ARG 56 2HH1 ARG 56 -0.811 -14.147 -2.305 442 HA PRO 57 HA PRO 57 -6.062 -8.079 6.024 443 HB2 PRO 57 2HB PRO 57 -5.579 -8.101 8.681 444 HB3 PRO 57 1HB PRO 57 -6.877 -9.028 7.895 445 HG2 PRO 57 2HG PRO 57 -4.174 -9.972 8.797 446 HG3 PRO 57 1HG PRO 57 -5.733 -10.812 8.909 447 HD2 PRO 57 2HD PRO 57 -3.973 -11.459 7.013 448 HD3 PRO 57 1HD PRO 57 -5.699 -11.480 6.631 449 H ILE 58 H ILE 58 -5.500 -6.020 7.123 450 HA ILE 58 HA ILE 58 -3.108 -5.032 6.109 451 HB ILE 58 HB ILE 58 -4.880 -3.897 8.281 452 HG12 ILE 58 2HG1 ILE 58 -4.732 -3.169 5.349 453 HG13 ILE 58 1HG1 ILE 58 -5.845 -4.408 5.913 454 HG21 ILE 58 1HG2 ILE 58 -3.011 -2.371 6.475 455 HG22 ILE 58 2HG2 ILE 58 -2.463 -2.942 8.049 456 HG23 ILE 58 3HG2 ILE 58 -3.826 -1.832 7.936 457 HD11 ILE 58 3HD1 ILE 58 -5.815 -1.759 7.303 458 HD12 ILE 58 1HD1 ILE 58 -7.145 -2.899 7.059 459 HD13 ILE 58 2HD1 ILE 58 -6.583 -1.909 5.715 460 H VAL 59 H VAL 59 -1.452 -6.357 6.751 461 HA VAL 59 HA VAL 59 -0.262 -5.693 9.314 462 HB VAL 59 HB VAL 59 0.505 -8.033 9.560 463 HG11 VAL 59 1HG1 VAL 59 -1.393 -8.732 10.636 464 HG12 VAL 59 2HG1 VAL 59 -2.438 -8.337 9.267 465 HG13 VAL 59 3HG1 VAL 59 -1.874 -7.052 10.345 466 HG21 VAL 59 3HG2 VAL 59 -1.502 -9.183 7.729 467 HG22 VAL 59 1HG2 VAL 59 0.179 -9.631 7.956 468 HG23 VAL 59 2HG2 VAL 59 -0.236 -8.324 6.863 469 H SER 60 H SER 60 2.120 -6.129 9.160 470 HA SER 60 HA SER 60 3.004 -6.305 6.377 471 HB2 SER 60 2HB SER 60 4.588 -4.571 6.513 472 HB3 SER 60 1HB SER 60 3.179 -3.914 7.306 473 HG SER 60 HG SER 60 4.083 -4.284 9.245 474 H THR 61 H THR 61 4.228 -7.957 6.036 475 HA THR 61 HA THR 61 4.909 -9.724 8.105 476 HB THR 61 HB THR 61 6.030 -11.010 6.350 477 HG1 THR 61 1HG THR 61 6.694 -8.711 5.454 478 HG21 THR 61 3HG2 THR 61 3.502 -9.608 5.421 479 HG22 THR 61 1HG2 THR 61 3.615 -11.126 6.307 480 HG23 THR 61 2HG2 THR 61 4.188 -11.029 4.648 481 H LYS 62 H LYS 62 6.816 -9.968 9.245 482 HA LYS 62 HA LYS 62 8.796 -7.824 8.890 483 HB2 LYS 62 2HB LYS 62 8.567 -9.873 11.113 484 HB3 LYS 62 1HB LYS 62 9.569 -8.440 11.106 485 HG2 LYS 62 2HG LYS 62 6.541 -8.403 10.950 486 HG3 LYS 62 1HG LYS 62 7.479 -8.140 12.418 487 HD2 LYS 62 2HD LYS 62 8.555 -6.192 11.408 488 HD3 LYS 62 1HD LYS 62 7.650 -6.409 9.909 489 HE2 LYS 62 2HE LYS 62 6.039 -6.336 12.405 490 HE3 LYS 62 1HE LYS 62 6.833 -4.843 11.982 491 HZ1 LYS 62 3HZ LYS 62 5.041 -6.413 10.156 492 HZ2 LYS 62 1HZ LYS 62 5.756 -4.977 9.699 493 HZ3 LYS 62 2HZ LYS 62 4.614 -4.993 10.896 494 H LYS 63 H LYS 63 10.389 -8.346 7.482 495 HA LYS 63 HA LYS 63 11.615 -11.021 7.830 496 HB2 LYS 63 2HB LYS 63 11.603 -9.342 5.332 497 HB3 LYS 63 1HB LYS 63 12.459 -10.854 5.533 498 HG2 LYS 63 2HG LYS 63 10.015 -11.712 6.287 499 HG3 LYS 63 1HG LYS 63 9.508 -10.414 5.213 500 HD2 LYS 63 2HD LYS 63 11.521 -12.518 4.388 501 HD3 LYS 63 1HD LYS 63 9.782 -12.703 4.171 502 HE2 LYS 63 2HE LYS 63 9.683 -10.704 2.763 503 HE3 LYS 63 1HE LYS 63 11.404 -10.397 3.039 504 HZ1 LYS 63 3HZ LYS 63 10.921 -11.510 0.918 505 HZ2 LYS 63 1HZ LYS 63 10.325 -12.851 1.766 506 HZ3 LYS 63 2HZ LYS 63 11.946 -12.413 1.937 507 H LEU 64 H LEU 64 13.273 -10.766 9.079 508 HA LEU 64 HA LEU 64 14.967 -8.381 8.801 509 HB2 LEU 64 2HB LEU 64 14.277 -9.116 11.103 510 HB3 LEU 64 1HB LEU 64 15.072 -10.654 10.807 511 HG LEU 64 HG LEU 64 17.257 -9.578 10.664 512 HD11 LEU 64 1HD1 LEU 64 15.602 -7.054 10.807 513 HD12 LEU 64 2HD1 LEU 64 16.789 -7.503 9.561 514 HD13 LEU 64 3HD1 LEU 64 17.322 -7.066 11.179 515 HD21 LEU 64 3HD2 LEU 64 17.349 -8.568 12.936 516 HD22 LEU 64 1HD2 LEU 64 16.385 -10.057 12.931 517 HD23 LEU 64 2HD2 LEU 64 15.602 -8.460 12.930 518 H ASP 65 H ASP 65 16.141 -8.609 7.057 519 HA ASP 65 HA ASP 65 17.212 -11.236 6.370 520 HB2 ASP 65 2HB ASP 65 15.928 -9.128 4.925 521 HB3 ASP 65 1HB ASP 65 17.520 -9.349 4.243 522 H LYS 66 H LYS 66 19.038 -10.581 4.612 523 HA LYS 66 HA LYS 66 21.439 -10.245 6.005 524 HB2 LYS 66 2HB LYS 66 22.463 -9.886 3.809 525 HB3 LYS 66 1HB LYS 66 21.353 -11.245 3.759 526 HG2 LYS 66 2HG LYS 66 20.102 -8.609 3.120 527 HG3 LYS 66 1HG LYS 66 21.291 -9.152 1.968 528 HD2 LYS 66 2HD LYS 66 20.131 -11.107 1.457 529 HD3 LYS 66 1HD LYS 66 19.099 -11.054 2.875 530 HE2 LYS 66 2HE LYS 66 18.121 -8.895 1.967 531 HE3 LYS 66 1HE LYS 66 19.039 -9.197 0.472 532 HZ1 LYS 66 3HZ LYS 66 17.878 -11.383 0.388 533 HZ2 LYS 66 1HZ LYS 66 16.819 -10.055 0.255 534 HZ3 LYS 66 2HZ LYS 66 16.977 -10.888 1.730 535 H GLU 67 H GLU 67 19.112 -7.932 5.063 536 HA GLU 67 HA GLU 67 20.752 -5.657 4.720 537 HB2 GLU 67 2HB GLU 67 17.878 -5.876 5.692 538 HB3 GLU 67 1HB GLU 67 18.683 -4.356 5.343 539 HG2 GLU 67 2HG GLU 67 19.121 -5.216 2.989 540 HG3 GLU 67 1HG GLU 67 18.136 -6.607 3.385 541 H GLY 68 H GLY 68 19.469 -7.292 7.535 542 HA2 GLY 68 2HA GLY 68 20.169 -7.118 9.753 543 HA3 GLY 68 1HA GLY 68 21.169 -5.724 9.344 544 H ARG 69 H ARG 69 18.148 -5.698 7.928 545 HA ARG 69 HA ARG 69 16.996 -3.866 9.946 546 HB2 ARG 69 2HB ARG 69 16.650 -3.802 6.945 547 HB3 ARG 69 1HB ARG 69 16.030 -2.635 8.110 548 HG2 ARG 69 2HG ARG 69 18.986 -3.165 7.664 549 HG3 ARG 69 1HG ARG 69 18.100 -1.872 6.879 550 HD2 ARG 69 2HD ARG 69 17.523 -0.900 9.105 551 HD3 ARG 69 1HD ARG 69 18.370 -2.257 9.848 552 HE ARG 69 HE ARG 69 19.957 -0.717 7.981 553 HH11 ARG 69 1HH2 ARG 69 18.924 -1.127 11.287 554 HH12 ARG 69 2HH2 ARG 69 20.349 -0.412 11.955 555 HH21 ARG 69 1HH1 ARG 69 21.849 0.225 8.867 556 HH22 ARG 69 2HH1 ARG 69 22.035 0.362 10.549 557 H THR 70 H THR 70 14.888 -4.371 10.418 558 HA THR 70 HA THR 70 13.849 -6.853 9.368 559 HB THR 70 HB THR 70 12.388 -4.893 11.159 560 HG1 THR 70 1HG THR 70 13.772 -5.361 12.607 561 HG21 THR 70 3HG2 THR 70 12.167 -7.905 10.852 562 HG22 THR 70 1HG2 THR 70 11.069 -6.727 10.124 563 HG23 THR 70 2HG2 THR 70 11.174 -6.856 11.866 564 H HIS 71 H HIS 71 13.040 -6.896 7.406 565 HA HIS 71 HA HIS 71 12.040 -4.520 6.093 566 HB2 HIS 71 2HB HIS 71 13.461 -6.518 5.149 567 HB3 HIS 71 1HB HIS 71 11.913 -7.306 4.974 568 HD1 HIS 71 1HD HIS 71 14.207 -5.338 3.084 569 HD2 HIS 71 2HD HIS 71 9.992 -5.295 3.351 570 HE1 HIS 71 1HE HIS 71 13.293 -4.260 0.962 571 HE2 HIS 71 2HE HIS 71 10.758 -4.271 1.138 572 H HIS 72 H HIS 72 9.980 -3.946 6.002 573 HA HIS 72 HA HIS 72 7.865 -5.769 6.911 574 HB2 HIS 72 2HB HIS 72 7.972 -2.775 6.482 575 HB3 HIS 72 1HB HIS 72 6.491 -3.653 6.761 576 HD1 HIS 72 1HD HIS 72 5.932 -2.815 9.029 577 HD2 HIS 72 2HD HIS 72 9.810 -4.346 8.859 578 HE1 HIS 72 1HE HIS 72 6.815 -2.816 11.418 579 HE2 HIS 72 2HE HIS 72 9.156 -3.792 11.339 580 H TYR 73 H TYR 73 6.553 -6.618 5.376 581 HA TYR 73 HA TYR 73 6.381 -5.253 2.744 582 HB2 TYR 73 2HB TYR 73 5.947 -8.214 3.311 583 HB3 TYR 73 1HB TYR 73 5.756 -7.410 1.777 584 HD1 TYR 73 1HD TYR 73 8.286 -8.249 4.373 585 HD2 TYR 73 2HD TYR 73 7.593 -6.866 0.366 586 HE1 TYR 73 1HE TYR 73 10.664 -8.483 3.890 587 HE2 TYR 73 2HE TYR 73 10.005 -7.104 -0.123 588 HH TYR 73 HH TYR 73 12.262 -7.096 1.792 589 H MET 74 H MET 74 4.445 -4.281 2.549 590 HA MET 74 HA MET 74 2.133 -5.483 3.925 591 HB2 MET 74 2HB MET 74 2.985 -3.551 5.228 592 HB3 MET 74 1HB MET 74 2.798 -2.533 3.795 593 HG2 MET 74 2HG MET 74 0.368 -2.964 3.808 594 HG3 MET 74 1HG MET 74 0.562 -4.058 5.165 595 HE1 MET 74 3HE MET 74 0.870 0.447 4.972 596 HE2 MET 74 1HE MET 74 1.081 -0.741 3.680 597 HE3 MET 74 2HE MET 74 2.421 -0.333 4.742 598 H ARG 75 H ARG 75 0.394 -5.711 2.668 599 HA ARG 75 HA ARG 75 0.110 -3.906 0.427 600 HB2 ARG 75 2HB ARG 75 -0.975 -5.902 -0.838 601 HB3 ARG 75 1HB ARG 75 0.777 -5.744 -0.821 602 HG2 ARG 75 2HG ARG 75 1.049 -7.474 0.796 603 HG3 ARG 75 1HG ARG 75 -0.637 -7.397 1.287 604 HD2 ARG 75 2HD ARG 75 -0.258 -9.389 -0.126 605 HD3 ARG 75 1HD ARG 75 -1.348 -8.232 -0.877 606 HE ARG 75 HE ARG 75 1.327 -7.761 -1.746 607 HH11 ARG 75 1HH2 ARG 75 -1.352 -10.009 -2.069 608 HH12 ARG 75 2HH2 ARG 75 -0.932 -10.469 -3.674 609 HH21 ARG 75 1HH1 ARG 75 1.837 -8.363 -3.876 610 HH22 ARG 75 2HH1 ARG 75 0.917 -9.530 -4.713 611 H PHE 76 H PHE 76 -2.034 -3.275 0.119 612 HA PHE 76 HA PHE 76 -4.127 -4.748 1.442 613 HB2 PHE 76 2HB PHE 76 -5.045 -2.810 2.679 614 HB3 PHE 76 1HB PHE 76 -3.476 -3.331 3.288 615 HD1 PHE 76 1HD PHE 76 -5.316 -0.677 1.463 616 HD2 PHE 76 2HD PHE 76 -1.491 -1.935 2.980 617 HE1 PHE 76 1HE PHE 76 -4.429 1.619 1.179 618 HE2 PHE 76 2HE PHE 76 -0.626 0.355 2.683 619 HZ PHE 76 HZ PHE 76 -2.094 2.138 1.779 620 H HIS 77 H HIS 77 -6.286 -4.009 0.927 621 HA HIS 77 HA HIS 77 -6.275 -3.015 -1.805 622 HB2 HIS 77 2HB HIS 77 -7.896 -5.000 -0.343 623 HB3 HIS 77 1HB HIS 77 -8.798 -4.027 -1.464 624 HD1 HIS 77 1HD HIS 77 -5.499 -6.002 -1.515 625 HD2 HIS 77 2HD HIS 77 -8.650 -4.981 -4.060 626 HE1 HIS 77 1HE HIS 77 -5.102 -7.222 -3.697 627 HE2 HIS 77 2HE HIS 77 -7.007 -6.606 -5.262 628 H VAL 78 H VAL 78 -7.461 -1.226 -2.382 629 HA VAL 78 HA VAL 78 -9.033 0.061 -0.282 630 HB VAL 78 HB VAL 78 -7.064 1.360 -0.304 631 HG11 VAL 78 1HG1 VAL 78 -6.048 2.212 -2.430 632 HG12 VAL 78 2HG1 VAL 78 -7.209 1.231 -3.318 633 HG13 VAL 78 3HG1 VAL 78 -5.998 0.448 -2.305 634 HG21 VAL 78 3HG2 VAL 78 -9.269 2.664 -0.654 635 HG22 VAL 78 1HG2 VAL 78 -8.782 2.829 -2.339 636 HG23 VAL 78 2HG2 VAL 78 -7.794 3.525 -1.079 637 H GLU 79 H GLU 79 -10.930 0.854 -0.906 638 HA GLU 79 HA GLU 79 -11.660 0.562 -3.751 639 HB2 GLU 79 2HB GLU 79 -13.355 0.484 -1.261 640 HB3 GLU 79 1HB GLU 79 -14.028 0.546 -2.890 641 HG2 GLU 79 2HG GLU 79 -12.905 -1.463 -3.520 642 HG3 GLU 79 1HG GLU 79 -12.051 -1.579 -2.004 643 H SER 80 H SER 80 -11.721 2.295 -4.837 644 HA SER 80 HA SER 80 -11.661 4.857 -3.497 645 HB2 SER 80 2HB SER 80 -11.040 5.759 -5.618 646 HB3 SER 80 1HB SER 80 -10.070 4.334 -5.295 647 HG SER 80 HG SER 80 -11.443 3.170 -6.613 648 H LYS 81 H LYS 81 -12.721 6.538 -5.304 649 HA LYS 81 HA LYS 81 -15.499 6.474 -4.722 650 HB2 LYS 81 2HB LYS 81 -14.111 8.020 -6.914 651 HB3 LYS 81 1HB LYS 81 -15.606 8.431 -6.095 652 HG2 LYS 81 2HG LYS 81 -12.839 8.375 -4.839 653 HG3 LYS 81 1HG LYS 81 -13.788 9.797 -5.287 654 HD2 LYS 81 2HD LYS 81 -15.281 7.998 -3.499 655 HD3 LYS 81 1HD LYS 81 -13.783 8.533 -2.796 656 HE2 LYS 81 2HE LYS 81 -15.267 10.627 -4.223 657 HE3 LYS 81 1HE LYS 81 -16.033 10.055 -2.732 658 HZ1 LYS 81 3HZ LYS 81 -14.432 11.135 -1.511 659 HZ2 LYS 81 1HZ LYS 81 -14.156 11.914 -2.956 660 HZ3 LYS 81 2HZ LYS 81 -13.146 10.655 -2.525 661 H LYS 82 H LYS 82 -13.482 5.439 -7.395 662 HA LYS 82 HA LYS 82 -15.895 4.506 -8.854 663 HB2 LYS 82 2HB LYS 82 -13.358 5.572 -10.090 664 HB3 LYS 82 1HB LYS 82 -14.847 5.157 -10.919 665 HG2 LYS 82 2HG LYS 82 -14.585 7.369 -8.837 666 HG3 LYS 82 1HG LYS 82 -14.621 7.605 -10.586 667 HD2 LYS 82 2HD LYS 82 -16.880 6.874 -10.749 668 HD3 LYS 82 1HD LYS 82 -16.908 6.229 -9.121 669 HE2 LYS 82 2HE LYS 82 -17.967 8.575 -9.597 670 HE3 LYS 82 1HE LYS 82 -17.031 8.342 -8.129 671 HZ1 LYS 82 3HZ LYS 82 -16.141 9.666 -10.647 672 HZ2 LYS 82 1HZ LYS 82 -15.050 9.220 -9.443 673 HZ3 LYS 82 2HZ LYS 82 -16.243 10.331 -9.093 674 H LYS 83 H LYS 83 -12.659 3.714 -7.757 675 HA LYS 83 HA LYS 83 -12.901 1.064 -9.061 676 HB2 LYS 83 2HB LYS 83 -10.426 2.801 -9.057 677 HB3 LYS 83 1HB LYS 83 -10.531 1.135 -9.639 678 HG2 LYS 83 2HG LYS 83 -12.172 3.439 -10.748 679 HG3 LYS 83 1HG LYS 83 -10.704 2.806 -11.483 680 HD2 LYS 83 2HD LYS 83 -11.675 0.720 -11.962 681 HD3 LYS 83 1HD LYS 83 -13.074 0.958 -10.937 682 HE2 LYS 83 2HE LYS 83 -12.632 2.987 -13.057 683 HE3 LYS 83 1HE LYS 83 -13.110 1.373 -13.578 684 HZ1 LYS 83 3HZ LYS 83 -14.855 3.250 -12.743 685 HZ2 LYS 83 1HZ LYS 83 -14.629 2.383 -11.307 686 HZ3 LYS 83 2HZ LYS 83 -15.144 1.596 -12.706 687 H ILE 84 H ILE 84 -11.546 -0.563 -8.269 688 HA ILE 84 HA ILE 84 -11.054 -0.402 -5.359 689 HB ILE 84 HB ILE 84 -11.110 -2.792 -7.223 690 HG12 ILE 84 2HG1 ILE 84 -13.307 -1.989 -5.294 691 HG13 ILE 84 1HG1 ILE 84 -13.336 -1.465 -6.971 692 HG21 ILE 84 1HG2 ILE 84 -11.786 -3.502 -4.603 693 HG22 ILE 84 2HG2 ILE 84 -10.442 -2.402 -4.411 694 HG23 ILE 84 3HG2 ILE 84 -10.273 -3.848 -5.421 695 HD11 ILE 84 3HD1 ILE 84 -13.533 -4.236 -5.858 696 HD12 ILE 84 1HD1 ILE 84 -12.894 -3.971 -7.480 697 HD13 ILE 84 2HD1 ILE 84 -14.527 -3.441 -7.103 698 H ALA 85 H ALA 85 -8.912 -0.256 -4.767 699 HA ALA 85 HA ALA 85 -6.896 -0.988 -6.799 700 HB1 ALA 85 1HB ALA 85 -5.607 0.992 -5.498 701 HB2 ALA 85 2HB ALA 85 -7.266 1.577 -5.347 702 HB3 ALA 85 3HB ALA 85 -6.584 1.257 -6.940 703 H LEU 86 H LEU 86 -4.854 -1.571 -6.039 704 HA LEU 86 HA LEU 86 -4.848 -2.641 -3.301 705 HB2 LEU 86 2HB LEU 86 -4.781 -4.504 -4.677 706 HB3 LEU 86 1HB LEU 86 -3.753 -3.806 -5.885 707 HG LEU 86 HG LEU 86 -1.904 -3.737 -4.093 708 HD11 LEU 86 1HD1 LEU 86 -2.875 -5.812 -2.440 709 HD12 LEU 86 2HD1 LEU 86 -4.116 -4.552 -2.462 710 HD13 LEU 86 3HD1 LEU 86 -2.453 -4.157 -2.010 711 HD21 LEU 86 3HD2 LEU 86 -1.539 -6.241 -4.193 712 HD22 LEU 86 1HD2 LEU 86 -1.821 -5.473 -5.754 713 HD23 LEU 86 2HD2 LEU 86 -3.119 -6.376 -4.965 714 H VAL 87 H VAL 87 -3.280 -2.009 -1.964 715 HA VAL 87 HA VAL 87 -1.180 -0.245 -3.083 716 HB VAL 87 HB VAL 87 -2.394 -0.254 -0.315 717 HG11 VAL 87 1HG1 VAL 87 -0.315 0.620 0.076 718 HG12 VAL 87 2HG1 VAL 87 -1.135 2.090 -0.440 719 HG13 VAL 87 3HG1 VAL 87 -0.100 1.212 -1.571 720 HG21 VAL 87 3HG2 VAL 87 -2.970 2.203 -1.403 721 HG22 VAL 87 1HG2 VAL 87 -4.069 0.836 -1.419 722 HG23 VAL 87 2HG2 VAL 87 -3.077 1.183 -2.831 723 H HIS 88 H HIS 88 0.866 -0.819 -2.794 724 HA HIS 88 HA HIS 88 1.493 -3.052 -0.942 725 HB2 HIS 88 2HB HIS 88 1.640 -3.719 -3.319 726 HB3 HIS 88 1HB HIS 88 2.727 -2.365 -3.605 727 HD1 HIS 88 1HD HIS 88 2.975 -5.842 -3.186 728 HD2 HIS 88 2HD HIS 88 5.036 -2.663 -1.432 729 HE1 HIS 88 1HE HIS 88 5.195 -6.769 -2.368 730 HE2 HIS 88 2HE HIS 88 6.467 -4.870 -1.316 731 H LEU 89 H LEU 89 2.834 -2.446 0.650 732 HA LEU 89 HA LEU 89 4.753 -0.280 0.108 733 HB2 LEU 89 2HB LEU 89 2.872 0.617 1.377 734 HB3 LEU 89 1HB LEU 89 3.145 -0.575 2.636 735 HG LEU 89 HG LEU 89 5.526 1.054 1.819 736 HD11 LEU 89 1HD1 LEU 89 4.883 3.034 2.628 737 HD12 LEU 89 2HD1 LEU 89 3.883 2.345 3.897 738 HD13 LEU 89 3HD1 LEU 89 3.248 2.496 2.257 739 HD21 LEU 89 3HD2 LEU 89 4.951 -0.784 3.840 740 HD22 LEU 89 1HD2 LEU 89 4.847 0.771 4.668 741 HD23 LEU 89 2HD2 LEU 89 6.306 0.319 3.801 742 H GLU 90 H GLU 90 6.762 -0.603 0.726 743 HA GLU 90 HA GLU 90 7.295 -2.780 2.596 744 HB2 GLU 90 2HB GLU 90 8.842 -2.050 0.126 745 HB3 GLU 90 1HB GLU 90 9.535 -3.016 1.415 746 HG2 GLU 90 2HG GLU 90 7.813 -4.646 1.230 747 HG3 GLU 90 1HG GLU 90 6.918 -3.735 0.041 748 H ALA 91 H ALA 91 8.349 -2.236 4.327 749 HA ALA 91 HA ALA 91 9.981 0.182 4.326 750 HB1 ALA 91 1HB ALA 91 7.936 -0.479 6.447 751 HB2 ALA 91 2HB ALA 91 7.797 0.832 5.263 752 HB3 ALA 91 3HB ALA 91 9.055 0.879 6.486 753 H LYS 92 H LYS 92 11.649 0.147 5.993 754 HA LYS 92 HA LYS 92 11.800 -2.423 7.359 755 HB2 LYS 92 2HB LYS 92 14.217 -2.657 7.051 756 HB3 LYS 92 1HB LYS 92 13.316 -2.736 5.551 757 HG2 LYS 92 2HG LYS 92 13.903 -0.352 5.092 758 HG3 LYS 92 1HG LYS 92 14.853 -0.323 6.569 759 HD2 LYS 92 2HD LYS 92 16.273 -2.117 5.796 760 HD3 LYS 92 1HD LYS 92 15.357 -2.308 4.318 761 HE2 LYS 92 2HE LYS 92 15.981 0.003 3.663 762 HE3 LYS 92 1HE LYS 92 16.949 0.166 5.129 763 HZ1 LYS 92 3HZ LYS 92 17.881 -0.754 2.795 764 HZ2 LYS 92 1HZ LYS 92 17.500 -2.217 3.517 765 HZ3 LYS 92 2HZ LYS 92 18.600 -1.134 4.233 766 H GLU 93 H GLU 93 12.409 -2.568 9.298 767 HA GLU 93 HA GLU 93 12.363 -0.259 10.975 768 HB2 GLU 93 2HB GLU 93 13.229 -3.107 11.556 769 HB3 GLU 93 1HB GLU 93 12.892 -1.878 12.763 770 HG2 GLU 93 2HG GLU 93 10.521 -1.749 12.018 771 HG3 GLU 93 1HG GLU 93 10.876 -2.889 10.729 772 H SER 94 H SER 94 14.098 0.676 12.148 773 HA SER 94 HA SER 94 16.624 0.781 10.906 774 HB2 SER 94 2HB SER 94 16.343 1.422 13.833 775 HB3 SER 94 1HB SER 94 17.157 2.286 12.558 776 HG SER 94 HG SER 94 15.418 3.453 12.461 777 H LYS 95 H LYS 95 15.914 -0.426 14.161 778 HA LYS 95 HA LYS 95 17.374 -2.873 13.478 779 HB2 LYS 95 2HB LYS 95 18.476 -1.100 15.247 780 HB3 LYS 95 1HB LYS 95 17.497 -2.077 16.332 781 HG2 LYS 95 2HG LYS 95 19.623 -3.153 16.192 782 HG3 LYS 95 1HG LYS 95 18.492 -4.151 15.263 783 HD2 LYS 95 2HD LYS 95 19.427 -2.359 13.339 784 HD3 LYS 95 1HD LYS 95 20.848 -2.619 14.332 785 HE2 LYS 95 2HE LYS 95 19.171 -4.831 13.106 786 HE3 LYS 95 1HE LYS 95 20.701 -4.268 12.469 787 HZ1 LYS 95 3HZ LYS 95 21.815 -4.984 14.458 788 HZ2 LYS 95 1HZ LYS 95 20.888 -6.256 13.886 789 HZ3 LYS 95 2HZ LYS 95 20.355 -5.381 15.219 790 H GLN 96 H GLN 96 15.277 -1.439 15.942 791 HA GLN 96 HA GLN 96 13.318 -3.598 15.482 792 HB2 GLN 96 2HB GLN 96 13.551 -2.596 18.286 793 HB3 GLN 96 1HB GLN 96 13.079 -4.179 17.698 794 HG2 GLN 96 2HG GLN 96 15.126 -4.791 18.484 795 HG3 GLN 96 1HG GLN 96 15.682 -4.215 16.927 796 HE21 GLN 96 1HE2 GLN 96 17.787 -3.733 18.085 797 HE22 GLN 96 2HE2 GLN 96 17.899 -2.303 18.990 798 H ASN 97 H ASN 97 13.819 -0.702 14.824 799 HA ASN 97 HA ASN 97 12.442 1.088 16.311 800 HB2 ASN 97 2HB ASN 97 13.837 1.642 14.301 801 HB3 ASN 97 1HB ASN 97 12.424 1.269 13.307 802 HD21 ASN 97 1HD2 ASN 97 11.545 3.315 12.682 803 HD22 ASN 97 2HD2 ASN 97 11.278 4.564 13.784 804 H TYR 98 H TYR 98 10.493 2.044 16.381 805 HA TYR 98 HA TYR 98 8.192 0.415 16.159 806 HB2 TYR 98 2HB TYR 98 8.151 3.428 16.304 807 HB3 TYR 98 1HB TYR 98 6.997 2.279 16.965 808 HD1 TYR 98 2HD TYR 98 7.527 0.956 19.020 809 HD2 TYR 98 1HD TYR 98 10.289 3.854 17.433 810 HE1 TYR 98 2HE TYR 98 8.808 0.893 21.115 811 HE2 TYR 98 1HE TYR 98 11.566 3.787 19.521 812 HH TYR 98 HH TYR 98 11.633 3.024 21.621 813 H GLN 99 H GLN 99 9.482 3.062 14.175 814 HA GLN 99 HA GLN 99 7.516 2.338 12.096 815 HB2 GLN 99 2HB GLN 99 8.856 5.019 12.484 816 HB3 GLN 99 1HB GLN 99 7.665 4.612 11.253 817 HG2 GLN 99 2HG GLN 99 7.089 4.381 14.228 818 HG3 GLN 99 1HG GLN 99 6.733 5.803 13.283 819 HE21 GLN 99 1HE2 GLN 99 6.063 2.220 13.186 820 HE22 GLN 99 2HE2 GLN 99 4.525 2.434 12.511 821 HA PRO 100 HA PRO 100 11.284 1.035 10.028 822 HB2 PRO 100 2HB PRO 100 10.079 -0.317 8.057 823 HB3 PRO 100 1HB PRO 100 10.162 -0.963 9.709 824 HG2 PRO 100 2HG PRO 100 7.897 0.484 8.391 825 HG3 PRO 100 1HG PRO 100 7.870 -1.009 9.356 826 HD2 PRO 100 2HD PRO 100 7.207 1.376 10.381 827 HD3 PRO 100 1HD PRO 100 8.014 0.135 11.371 828 H ASP 101 H ASP 101 12.279 1.594 8.063 829 HA ASP 101 HA ASP 101 11.494 4.121 6.940 830 HB2 ASP 101 2HB ASP 101 13.943 3.163 7.180 831 HB3 ASP 101 1HB ASP 101 13.508 2.231 5.808 832 H PHE 102 H PHE 102 10.044 4.349 5.304 833 HA PHE 102 HA PHE 102 8.959 2.122 3.891 834 HB2 PHE 102 2HB PHE 102 8.932 5.050 3.094 835 HB3 PHE 102 1HB PHE 102 7.936 3.758 2.438 836 HD1 PHE 102 1HD PHE 102 6.416 2.481 4.044 837 HD2 PHE 102 2HD PHE 102 8.230 6.245 5.020 838 HE1 PHE 102 1HE PHE 102 4.720 2.843 5.801 839 HE2 PHE 102 2HE PHE 102 6.547 6.608 6.783 840 HZ PHE 102 HZ PHE 102 4.780 4.915 7.181 841 H ILE 103 H ILE 103 10.555 0.990 2.869 842 HA ILE 103 HA ILE 103 12.611 2.195 1.300 843 HB ILE 103 HB ILE 103 11.542 -0.636 1.343 844 HG12 ILE 103 2HG1 ILE 103 14.121 0.536 2.405 845 HG13 ILE 103 1HG1 ILE 103 12.690 0.257 3.404 846 HG21 ILE 103 1HG2 ILE 103 14.156 0.311 0.128 847 HG22 ILE 103 2HG2 ILE 103 12.706 0.047 -0.856 848 HG23 ILE 103 3HG2 ILE 103 13.430 -1.284 0.034 849 HD11 ILE 103 3HD1 ILE 103 13.358 -1.859 3.683 850 HD12 ILE 103 1HD1 ILE 103 14.694 -1.602 2.556 851 HD13 ILE 103 2HD1 ILE 103 13.120 -2.132 1.959 852 H ASN 104 H ASN 104 9.497 0.684 0.670 853 HA ASN 104 HA ASN 104 9.286 2.123 -1.853 854 HB2 ASN 104 2HB ASN 104 10.314 -0.168 -2.394 855 HB3 ASN 104 1HB ASN 104 8.886 -0.845 -1.689 856 HD21 ASN 104 1HD2 ASN 104 8.810 2.149 -3.732 857 HD22 ASN 104 2HD2 ASN 104 7.875 1.393 -4.912 858 H MET 105 H MET 105 7.154 2.328 -2.561 859 HA MET 105 HA MET 105 5.099 0.807 -1.488 860 HB2 MET 105 2HB MET 105 4.125 2.055 0.117 861 HB3 MET 105 1HB MET 105 5.681 2.857 0.258 862 HG2 MET 105 2HG MET 105 4.117 4.615 0.041 863 HG3 MET 105 1HG MET 105 4.829 4.446 -1.557 864 HE1 MET 105 3HE MET 105 1.962 2.136 0.241 865 HE2 MET 105 1HE MET 105 0.675 3.309 -0.074 866 HE3 MET 105 2HE MET 105 2.089 3.791 0.837 867 H TYR 106 H TYR 106 3.567 0.641 -2.965 868 HA TYR 106 HA TYR 106 3.139 2.817 -4.843 869 HB2 TYR 106 2HB TYR 106 3.403 1.331 -6.810 870 HB3 TYR 106 1HB TYR 106 4.902 1.570 -5.937 871 HD1 TYR 106 2HD TYR 106 5.871 -0.229 -4.565 872 HD2 TYR 106 1HD TYR 106 2.271 -0.850 -6.828 873 HE1 TYR 106 2HE TYR 106 6.128 -2.667 -4.294 874 HE2 TYR 106 1HE TYR 106 2.517 -3.289 -6.562 875 HH TYR 106 HH TYR 106 4.609 -4.656 -4.312 876 H VAL 107 H VAL 107 1.327 2.482 -6.231 877 HA VAL 107 HA VAL 107 -0.743 0.889 -4.861 878 HB VAL 107 HB VAL 107 -0.866 3.571 -6.239 879 HG11 VAL 107 1HG1 VAL 107 -2.827 2.313 -6.948 880 HG12 VAL 107 2HG1 VAL 107 -3.296 3.509 -5.744 881 HG13 VAL 107 3HG1 VAL 107 -3.153 1.816 -5.282 882 HG21 VAL 107 3HG2 VAL 107 -1.893 4.150 -3.977 883 HG22 VAL 107 1HG2 VAL 107 -0.182 3.739 -3.943 884 HG23 VAL 107 2HG2 VAL 107 -1.379 2.558 -3.430 885 H ASP 108 H ASP 108 -1.767 -0.576 -5.938 886 HA ASP 108 HA ASP 108 -1.304 -0.953 -8.814 887 HB2 ASP 108 2HB ASP 108 -0.897 -2.814 -7.019 888 HB3 ASP 108 1HB ASP 108 -2.619 -2.754 -6.839 889 H VAL 109 H VAL 109 -2.842 0.191 -9.916 890 HA VAL 109 HA VAL 109 -5.628 0.009 -8.990 891 HB VAL 109 HB VAL 109 -4.467 1.946 -11.013 892 HG11 VAL 109 1HG1 VAL 109 -6.602 3.127 -10.713 893 HG12 VAL 109 2HG1 VAL 109 -7.167 1.889 -9.608 894 HG13 VAL 109 3HG1 VAL 109 -6.890 1.499 -11.307 895 HG21 VAL 109 3HG2 VAL 109 -5.312 3.357 -8.757 896 HG22 VAL 109 1HG2 VAL 109 -3.641 2.996 -9.179 897 HG23 VAL 109 2HG2 VAL 109 -4.526 1.942 -8.070 898 HA PRO 110 HA PRO 110 -6.209 -2.955 -12.257 899 HB2 PRO 110 2HB PRO 110 -9.043 -2.045 -12.138 900 HB3 PRO 110 1HB PRO 110 -8.366 -3.685 -12.005 901 HG2 PRO 110 2HG PRO 110 -9.254 -2.482 -9.844 902 HG3 PRO 110 1HG PRO 110 -7.748 -3.411 -9.782 903 HD2 PRO 110 2HD PRO 110 -8.107 -0.448 -9.903 904 HD3 PRO 110 1HD PRO 110 -6.955 -1.432 -8.951 905 H GLY 111 H GLY 111 -6.128 -2.730 -14.466 906 HA2 GLY 111 2HA GLY 111 -6.261 -1.843 -16.576 907 HA3 GLY 111 1HA GLY 111 -7.553 -0.797 -15.997 908 H GLU 112 H GLU 112 -6.056 0.480 -13.902 909 HA GLU 112 HA GLU 112 -4.647 2.372 -15.553 910 HB2 GLU 112 2HB GLU 112 -5.823 2.441 -12.846 911 HB3 GLU 112 1HB GLU 112 -4.422 3.472 -13.109 912 HG2 GLU 112 2HG GLU 112 -6.943 3.458 -14.791 913 HG3 GLU 112 1HG GLU 112 -6.483 4.671 -13.597 914 H LYS 113 H LYS 113 -2.744 3.463 -14.480 915 HA LYS 113 HA LYS 113 -0.685 1.547 -14.613 916 HB2 LYS 113 2HB LYS 113 -0.103 4.274 -13.562 917 HB3 LYS 113 1HB LYS 113 0.829 3.247 -14.658 918 HG2 LYS 113 2HG LYS 113 -1.677 4.837 -15.238 919 HG3 LYS 113 1HG LYS 113 -0.084 5.010 -15.966 920 HD2 LYS 113 2HD LYS 113 -0.265 2.751 -16.896 921 HD3 LYS 113 1HD LYS 113 -1.909 2.583 -16.344 922 HE2 LYS 113 2HE LYS 113 -0.753 4.529 -18.211 923 HE3 LYS 113 1HE LYS 113 -2.035 3.356 -18.596 924 HZ1 LYS 113 3HZ LYS 113 -3.351 5.225 -18.222 925 HZ2 LYS 113 1HZ LYS 113 -2.215 5.969 -17.247 926 HZ3 LYS 113 2HZ LYS 113 -3.226 4.778 -16.587 927 H ARG 114 H ARG 114 0.920 1.261 -13.117 928 HA ARG 114 HA ARG 114 0.106 1.055 -10.325 929 HB2 ARG 114 2HB ARG 114 2.278 0.028 -9.987 930 HB3 ARG 114 1HB ARG 114 1.558 -0.683 -11.427 931 HG2 ARG 114 2HG ARG 114 2.843 1.054 -12.794 932 HG3 ARG 114 1HG ARG 114 3.699 1.461 -11.308 933 HD2 ARG 114 2HD ARG 114 4.338 -1.007 -11.140 934 HD3 ARG 114 1HD ARG 114 3.594 -1.113 -12.751 935 HE ARG 114 HE ARG 114 5.313 0.869 -13.182 936 HH11 ARG 114 1HH2 ARG 114 5.749 -2.220 -11.631 937 HH12 ARG 114 2HH2 ARG 114 7.406 -2.349 -12.029 938 HH21 ARG 114 1HH1 ARG 114 7.507 0.718 -13.706 939 HH22 ARG 114 2HH1 ARG 114 8.433 -0.644 -13.214 940 H TYR 115 H TYR 115 0.416 2.750 -8.943 941 HA TYR 115 HA TYR 115 2.166 4.961 -9.848 942 HB2 TYR 115 2HB TYR 115 -0.133 5.625 -9.306 943 HB3 TYR 115 1HB TYR 115 0.050 4.972 -7.676 944 HD1 TYR 115 1HD TYR 115 1.337 7.567 -10.050 945 HD2 TYR 115 2HD TYR 115 1.179 6.220 -5.969 946 HE1 TYR 115 1HE TYR 115 2.334 9.693 -9.313 947 HE2 TYR 115 2HE TYR 115 2.175 8.355 -5.225 948 HH TYR 115 HH TYR 115 3.810 10.321 -7.066 949 H TYR 116 H TYR 116 4.063 5.286 -8.924 950 HA TYR 116 HA TYR 116 4.640 3.774 -6.474 951 HB2 TYR 116 2HB TYR 116 6.346 4.805 -8.700 952 HB3 TYR 116 1HB TYR 116 7.057 4.662 -7.102 953 HD1 TYR 116 1HD TYR 116 5.088 2.736 -9.632 954 HD2 TYR 116 2HD TYR 116 7.730 2.583 -6.252 955 HE1 TYR 116 1HE TYR 116 5.282 0.299 -9.899 956 HE2 TYR 116 2HE TYR 116 7.930 0.116 -6.520 957 HH TYR 116 HH TYR 116 5.975 -1.704 -7.914 958 H LEU 117 H LEU 117 3.872 4.904 -4.901 959 HA LEU 117 HA LEU 117 4.068 7.713 -4.573 960 HB2 LEU 117 2HB LEU 117 2.398 6.392 -3.400 961 HB3 LEU 117 1HB LEU 117 3.653 5.500 -2.567 962 HG LEU 117 HG LEU 117 4.423 7.642 -1.498 963 HD11 LEU 117 1HD1 LEU 117 3.691 9.224 -3.218 964 HD12 LEU 117 2HD1 LEU 117 2.983 9.620 -1.669 965 HD13 LEU 117 3HD1 LEU 117 2.007 8.805 -2.888 966 HD21 LEU 117 3HD2 LEU 117 1.520 7.631 -0.882 967 HD22 LEU 117 1HD2 LEU 117 2.912 7.441 0.180 968 HD23 LEU 117 2HD2 LEU 117 2.321 6.070 -0.759 969 H ILE 118 H ILE 118 6.014 4.974 -3.501 970 HA ILE 118 HA ILE 118 8.144 6.874 -2.731 971 HB ILE 118 HB ILE 118 7.422 4.224 -1.459 972 HG12 ILE 118 2HG1 ILE 118 7.313 7.052 -0.316 973 HG13 ILE 118 1HG1 ILE 118 5.921 6.182 -0.928 974 HG21 ILE 118 1HG2 ILE 118 9.949 4.878 -1.528 975 HG22 ILE 118 2HG2 ILE 118 9.242 4.515 0.028 976 HG23 ILE 118 3HG2 ILE 118 9.484 6.189 -0.439 977 HD11 ILE 118 3HD1 ILE 118 6.957 4.322 0.759 978 HD12 ILE 118 1HD1 ILE 118 5.712 5.493 1.219 979 HD13 ILE 118 2HD1 ILE 118 7.405 5.826 1.570 980 H LYS 119 H LYS 119 9.973 6.685 -3.853 981 HA LYS 119 HA LYS 119 10.314 4.456 -5.717 982 HB2 LYS 119 2HB LYS 119 12.292 6.708 -5.467 983 HB3 LYS 119 1HB LYS 119 11.823 5.802 -6.896 984 HG2 LYS 119 2HG LYS 119 10.103 7.849 -5.453 985 HG3 LYS 119 1HG LYS 119 10.898 8.036 -7.012 986 HD2 LYS 119 2HD LYS 119 9.543 6.190 -7.956 987 HD3 LYS 119 1HD LYS 119 8.762 5.958 -6.413 988 HE2 LYS 119 2HE LYS 119 7.427 7.345 -8.027 989 HE3 LYS 119 1HE LYS 119 7.718 8.112 -6.474 990 HZ1 LYS 119 3HZ LYS 119 9.767 8.673 -8.481 991 HZ2 LYS 119 1HZ LYS 119 8.923 9.749 -7.461 992 HZ3 LYS 119 2HZ LYS 119 8.218 9.169 -8.878 993 HA PRO 120 HA PRO 120 13.007 2.776 -2.565 994 HB2 PRO 120 2HB PRO 120 13.230 0.340 -3.355 995 HB3 PRO 120 1HB PRO 120 11.719 0.975 -2.688 996 HG2 PRO 120 2HG PRO 120 12.356 0.424 -5.569 997 HG3 PRO 120 1HG PRO 120 10.810 0.225 -4.726 998 HD2 PRO 120 2HD PRO 120 11.480 2.424 -6.318 999 HD3 PRO 120 1HD PRO 120 10.186 2.388 -5.106 1000 H LYS 121 H LYS 121 15.014 3.387 -2.635 1001 HA LYS 121 HA LYS 121 17.215 3.767 -3.599 1002 HB2 LYS 121 2HB LYS 121 17.568 0.906 -2.978 1003 HB3 LYS 121 1HB LYS 121 18.222 2.331 -2.183 1004 HG2 LYS 121 2HG LYS 121 15.378 1.309 -1.827 1005 HG3 LYS 121 1HG LYS 121 16.693 1.036 -0.722 1006 HD2 LYS 121 2HD LYS 121 16.694 3.038 0.109 1007 HD3 LYS 121 1HD LYS 121 16.343 3.933 -1.378 1008 HE2 LYS 121 2HE LYS 121 13.985 2.450 -0.681 1009 HE3 LYS 121 1HE LYS 121 14.622 3.112 0.817 1010 HZ1 LYS 121 3HZ LYS 121 13.187 4.556 -1.139 1011 HZ2 LYS 121 1HZ LYS 121 14.755 5.184 -1.104 1012 HZ3 LYS 121 2HZ LYS 121 13.868 5.056 0.279 1013 H LEU 122 H LEU 122 16.357 3.863 -6.001 1014 HA LEU 122 HA LEU 122 16.589 1.539 -7.594 1015 HB2 LEU 122 2HB LEU 122 16.750 4.487 -8.284 1016 HB3 LEU 122 1HB LEU 122 16.733 3.187 -9.463 1017 HG LEU 122 HG LEU 122 14.511 3.971 -9.289 1018 HD11 LEU 122 1HD1 LEU 122 14.470 1.483 -7.579 1019 HD12 LEU 122 2HD1 LEU 122 14.919 1.440 -9.290 1020 HD13 LEU 122 3HD1 LEU 122 13.320 1.985 -8.815 1021 HD21 LEU 122 3HD2 LEU 122 14.241 3.331 -6.378 1022 HD22 LEU 122 1HD2 LEU 122 13.341 4.453 -7.374 1023 HD23 LEU 122 2HD2 LEU 122 14.942 4.898 -6.848 1024 H HIS 123 H HIS 123 18.289 0.926 -8.952 1025 HA HIS 123 HA HIS 123 20.767 0.809 -7.860 1026 HB2 HIS 123 2HB HIS 123 21.607 0.507 -10.298 1027 HB3 HIS 123 1HB HIS 123 20.480 -0.675 -9.652 1028 HD1 HIS 123 1HD HIS 123 19.100 2.694 -10.536 1029 HD2 HIS 123 2HD HIS 123 19.492 -1.055 -12.352 1030 HE1 HIS 123 1HE HIS 123 17.579 2.691 -12.564 1031 HE2 HIS 123 2HE HIS 123 17.808 0.421 -13.672 1032 HA PRO 124 HA PRO 124 22.803 4.756 -8.416 1033 HB2 PRO 124 2HB PRO 124 25.240 3.271 -9.198 1034 HB3 PRO 124 1HB PRO 124 24.952 4.360 -7.822 1035 HG2 PRO 124 2HG PRO 124 25.219 1.749 -7.438 1036 HG3 PRO 124 1HG PRO 124 24.067 2.699 -6.493 1037 HD2 PRO 124 2HD PRO 124 23.516 0.895 -8.821 1038 HD3 PRO 124 1HD PRO 124 22.619 1.105 -7.296 1039 H VAL 125 H VAL 125 23.885 6.029 -10.136 1040 HA VAL 125 HA VAL 125 22.732 5.691 -12.661 1041 HB VAL 125 HB VAL 125 25.262 7.162 -11.879 1042 HG11 VAL 125 1HG1 VAL 125 23.596 7.229 -14.401 1043 HG12 VAL 125 2HG1 VAL 125 25.337 6.995 -14.242 1044 HG13 VAL 125 3HG1 VAL 125 24.625 8.578 -13.927 1045 HG21 VAL 125 3HG2 VAL 125 23.913 9.066 -11.481 1046 HG22 VAL 125 1HG2 VAL 125 22.942 7.764 -10.796 1047 HG23 VAL 125 2HG2 VAL 125 22.551 8.406 -12.380 1048 H SER 126 H SER 126 25.956 4.904 -11.481 1049 HA SER 126 HA SER 126 26.581 3.342 -13.867 1050 HB2 SER 126 2HB SER 126 28.037 3.490 -11.235 1051 HB3 SER 126 1HB SER 126 28.670 2.813 -12.744 1052 HG SER 126 HG SER 126 28.475 5.011 -13.588 1053 H ASN 127 H ASN 127 25.330 1.547 -14.012 1054 HA ASN 127 HA ASN 127 25.349 -0.335 -11.782 1055 HB2 ASN 127 2HB ASN 127 22.954 -0.635 -11.783 1056 HB3 ASN 127 1HB ASN 127 23.322 1.046 -11.447 1057 HD21 ASN 127 1HD2 ASN 127 23.380 2.487 -13.587 1058 HD22 ASN 127 2HD2 ASN 127 22.146 2.159 -14.698 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -1.252 1.162 18.870 2 HA2 GLY 1 2HA GLY 1 -0.228 3.587 19.763 3 HA3 GLY 1 1HA GLY 1 -0.088 2.423 21.082 4 H ALA 2 H ALA 2 2.265 3.175 20.340 5 HA ALA 2 HA ALA 2 3.339 1.820 18.075 6 HB1 ALA 2 1HB ALA 2 4.297 3.793 19.735 7 HB2 ALA 2 2HB ALA 2 5.257 2.921 18.562 8 HB3 ALA 2 3HB ALA 2 5.251 2.402 20.249 9 H MET 3 H MET 3 3.934 -0.244 17.866 10 HA MET 3 HA MET 3 5.132 -1.907 19.755 11 HB2 MET 3 2HB MET 3 3.162 -3.450 20.251 12 HB3 MET 3 1HB MET 3 3.076 -1.903 21.055 13 HG2 MET 3 2HG MET 3 1.472 -1.038 19.497 14 HG3 MET 3 1HG MET 3 1.677 -2.368 18.386 15 HE1 MET 3 3HE MET 3 0.393 -1.011 21.654 16 HE2 MET 3 1HE MET 3 1.310 -2.333 22.394 17 HE3 MET 3 2HE MET 3 -0.426 -2.355 22.451 18 H GLY 4 H GLY 4 2.956 -4.003 18.593 19 HA2 GLY 4 2HA GLY 4 4.436 -4.635 16.158 20 HA3 GLY 4 1HA GLY 4 3.037 -5.498 16.819 21 H SER 5 H SER 5 2.761 -2.096 16.724 22 HA SER 5 HA SER 5 0.505 -2.141 15.010 23 HB2 SER 5 2HB SER 5 1.002 0.457 15.385 24 HB3 SER 5 1HB SER 5 0.227 -0.548 16.590 25 HG SER 5 HG SER 5 1.808 0.299 17.665 26 H GLY 6 H GLY 6 3.501 -2.580 14.056 27 HA2 GLY 6 2HA GLY 6 4.302 -0.576 12.394 28 HA3 GLY 6 1HA GLY 6 4.572 -2.268 12.023 29 H ASP 7 H ASP 7 2.475 -3.379 11.131 30 HA ASP 7 HA ASP 7 1.801 -2.074 8.700 31 HB2 ASP 7 2HB ASP 7 -0.173 -3.827 8.791 32 HB3 ASP 7 1HB ASP 7 1.473 -4.307 8.396 33 H THR 8 H THR 8 0.104 -2.304 11.775 34 HA THR 8 HA THR 8 -2.292 -1.109 10.952 35 HB THR 8 HB THR 8 -0.996 -0.679 13.650 36 HG1 THR 8 1HG THR 8 -1.345 -2.680 14.067 37 HG21 THR 8 3HG2 THR 8 -2.968 0.628 13.314 38 HG22 THR 8 1HG2 THR 8 -3.380 -0.695 14.396 39 HG23 THR 8 2HG2 THR 8 -3.873 -0.751 12.695 40 H GLN 9 H GLN 9 0.666 0.326 12.289 41 HA GLN 9 HA GLN 9 -0.169 3.041 12.032 42 HB2 GLN 9 2HB GLN 9 2.318 1.590 12.711 43 HB3 GLN 9 1HB GLN 9 2.575 3.106 11.892 44 HG2 GLN 9 2HG GLN 9 0.591 3.000 14.127 45 HG3 GLN 9 1HG GLN 9 2.308 3.052 14.487 46 HE21 GLN 9 1HE2 GLN 9 -0.385 4.891 13.354 47 HE22 GLN 9 2HE2 GLN 9 0.419 6.364 13.088 48 H LEU 10 H LEU 10 1.917 0.980 10.148 49 HA LEU 10 HA LEU 10 2.490 2.891 8.199 50 HB2 LEU 10 2HB LEU 10 2.623 -0.105 7.972 51 HB3 LEU 10 1HB LEU 10 3.269 1.031 6.782 52 HG LEU 10 HG LEU 10 4.077 0.993 9.712 53 HD11 LEU 10 1HD1 LEU 10 6.124 0.493 7.742 54 HD12 LEU 10 2HD1 LEU 10 4.863 -0.758 7.750 55 HD13 LEU 10 3HD1 LEU 10 5.726 -0.330 9.252 56 HD21 LEU 10 3HD2 LEU 10 4.875 3.043 9.328 57 HD22 LEU 10 1HD2 LEU 10 4.369 3.019 7.642 58 HD23 LEU 10 2HD2 LEU 10 5.949 2.390 8.119 59 H PHE 11 H PHE 11 -0.088 0.510 8.353 60 HA PHE 11 HA PHE 11 -1.164 0.831 5.778 61 HB2 PHE 11 2HB PHE 11 -1.976 -0.897 7.187 62 HB3 PHE 11 1HB PHE 11 -2.365 0.215 8.476 63 HD1 PHE 11 1HD PHE 11 -3.352 -0.900 5.062 64 HD2 PHE 11 2HD PHE 11 -4.412 1.474 8.484 65 HE1 PHE 11 1HE PHE 11 -5.625 -0.611 4.162 66 HE2 PHE 11 2HE PHE 11 -6.692 1.762 7.572 67 HZ PHE 11 HZ PHE 11 -7.309 0.726 5.433 68 H ASN 12 H ASN 12 -1.887 2.555 8.795 69 HA ASN 12 HA ASN 12 -3.681 4.462 7.634 70 HB2 ASN 12 2HB ASN 12 -1.997 4.628 10.145 71 HB3 ASN 12 1HB ASN 12 -3.196 5.807 9.671 72 HD21 ASN 12 1HD2 ASN 12 -2.787 2.609 10.998 73 HD22 ASN 12 2HD2 ASN 12 -4.427 2.293 11.270 74 H ARG 13 H ARG 13 -0.241 4.457 8.381 75 HA ARG 13 HA ARG 13 0.272 7.099 7.673 76 HB2 ARG 13 2HB ARG 13 2.065 4.670 7.649 77 HB3 ARG 13 1HB ARG 13 2.636 6.321 7.467 78 HG2 ARG 13 2HG ARG 13 1.827 6.993 9.600 79 HG3 ARG 13 1HG ARG 13 0.953 5.546 9.910 80 HD2 ARG 13 2HD ARG 13 2.885 5.031 11.081 81 HD3 ARG 13 1HD ARG 13 3.328 4.407 9.543 82 HE ARG 13 HE ARG 13 4.735 6.283 9.119 83 HH11 ARG 13 1HH2 ARG 13 3.127 6.447 12.277 84 HH12 ARG 13 2HH2 ARG 13 4.114 7.724 12.810 85 HH21 ARG 13 1HH1 ARG 13 6.016 7.959 9.907 86 HH22 ARG 13 2HH1 ARG 13 5.778 8.593 11.481 87 H ALA 14 H ALA 14 0.464 4.066 5.858 88 HA ALA 14 HA ALA 14 1.362 5.157 3.400 89 HB1 ALA 14 1HB ALA 14 1.654 2.789 3.887 90 HB2 ALA 14 2HB ALA 14 0.674 2.975 2.442 91 HB3 ALA 14 3HB ALA 14 -0.090 2.576 3.985 92 H VAL 15 H VAL 15 -1.869 4.117 4.535 93 HA VAL 15 HA VAL 15 -3.173 4.711 2.159 94 HB VAL 15 HB VAL 15 -3.991 3.408 4.252 95 HG11 VAL 15 1HG1 VAL 15 -3.883 5.503 5.714 96 HG12 VAL 15 2HG1 VAL 15 -5.367 4.571 5.790 97 HG13 VAL 15 3HG1 VAL 15 -5.320 6.061 4.851 98 HG21 VAL 15 3HG2 VAL 15 -5.876 5.165 2.651 99 HG22 VAL 15 1HG2 VAL 15 -6.314 3.705 3.530 100 HG23 VAL 15 2HG2 VAL 15 -5.245 3.596 2.141 101 H SER 16 H SER 16 -2.321 6.734 4.899 102 HA SER 16 HA SER 16 -3.849 8.987 4.171 103 HB2 SER 16 2HB SER 16 -2.890 8.732 6.395 104 HB3 SER 16 1HB SER 16 -1.277 8.734 5.768 105 HG SER 16 HG SER 16 -2.530 10.736 6.596 106 H MET 17 H MET 17 -0.526 7.945 3.417 107 HA MET 17 HA MET 17 0.049 10.255 1.888 108 HB2 MET 17 2HB MET 17 1.388 7.543 1.813 109 HB3 MET 17 1HB MET 17 1.999 8.977 1.012 110 HG2 MET 17 2HG MET 17 1.863 10.118 3.359 111 HG3 MET 17 1HG MET 17 1.637 8.515 3.951 112 HE1 MET 17 3HE MET 17 3.279 6.468 2.526 113 HE2 MET 17 1HE MET 17 3.251 6.737 4.284 114 HE3 MET 17 2HE MET 17 4.778 6.539 3.441 115 H VAL 18 H VAL 18 -1.114 7.049 0.962 116 HA VAL 18 HA VAL 18 -0.934 7.647 -1.822 117 HB VAL 18 HB VAL 18 -2.167 5.522 -2.182 118 HG11 VAL 18 1HG1 VAL 18 0.023 5.195 -0.128 119 HG12 VAL 18 2HG1 VAL 18 0.353 5.756 -1.765 120 HG13 VAL 18 3HG1 VAL 18 -0.338 4.158 -1.505 121 HG21 VAL 18 3HG2 VAL 18 -2.629 5.914 0.703 122 HG22 VAL 18 1HG2 VAL 18 -2.139 4.282 0.264 123 HG23 VAL 18 2HG2 VAL 18 -3.578 4.987 -0.460 124 H GLU 19 H GLU 19 -3.792 7.599 0.331 125 HA GLU 19 HA GLU 19 -5.684 7.884 -1.711 126 HB2 GLU 19 2HB GLU 19 -5.704 8.915 1.096 127 HB3 GLU 19 1HB GLU 19 -7.114 9.029 0.043 128 HG2 GLU 19 2HG GLU 19 -6.975 6.438 -0.135 129 HG3 GLU 19 1HG GLU 19 -5.700 6.585 1.058 130 H LYS 20 H LYS 20 -3.803 10.273 -0.020 131 HA LYS 20 HA LYS 20 -5.266 12.424 -1.295 132 HB2 LYS 20 2HB LYS 20 -2.909 12.901 0.489 133 HB3 LYS 20 1HB LYS 20 -4.382 13.837 0.325 134 HG2 LYS 20 2HG LYS 20 -4.166 11.091 1.634 135 HG3 LYS 20 1HG LYS 20 -4.480 12.622 2.446 136 HD2 LYS 20 2HD LYS 20 -6.643 12.795 1.325 137 HD3 LYS 20 1HD LYS 20 -6.317 11.353 0.367 138 HE2 LYS 20 2HE LYS 20 -6.113 10.030 2.498 139 HE3 LYS 20 1HE LYS 20 -6.566 11.435 3.403 140 HZ1 LYS 20 3HZ LYS 20 -8.486 11.021 1.341 141 HZ2 LYS 20 1HZ LYS 20 -8.690 10.946 3.031 142 HZ3 LYS 20 2HZ LYS 20 -8.184 9.573 2.190 143 H ASN 21 H ASN 21 -2.742 10.544 -2.212 144 HA ASN 21 HA ASN 21 -0.908 12.406 -3.334 145 HB2 ASN 21 2HB ASN 21 -0.345 9.989 -3.033 146 HB3 ASN 21 1HB ASN 21 -1.537 9.608 -4.264 147 HD21 ASN 21 1HD2 ASN 21 1.715 10.793 -3.790 148 HD22 ASN 21 2HD2 ASN 21 2.083 10.907 -5.440 149 H LYS 22 H LYS 22 -1.066 13.618 -5.040 150 HA LYS 22 HA LYS 22 -3.404 14.258 -6.269 151 HB2 LYS 22 2HB LYS 22 -2.107 15.462 -7.913 152 HB3 LYS 22 1HB LYS 22 -1.416 15.697 -6.335 153 HG2 LYS 22 2HG LYS 22 -0.350 13.773 -8.476 154 HG3 LYS 22 1HG LYS 22 0.352 15.285 -8.012 155 HD2 LYS 22 2HD LYS 22 0.523 14.361 -5.614 156 HD3 LYS 22 1HD LYS 22 0.162 12.801 -6.281 157 HE2 LYS 22 2HE LYS 22 2.443 14.455 -7.388 158 HE3 LYS 22 1HE LYS 22 2.618 13.372 -6.015 159 HZ1 LYS 22 3HZ LYS 22 1.518 12.329 -8.637 160 HZ2 LYS 22 1HZ LYS 22 2.259 11.478 -7.353 161 HZ3 LYS 22 2HZ LYS 22 3.130 12.498 -8.281 162 H ASP 23 H ASP 23 -0.881 12.183 -7.569 163 HA ASP 23 HA ASP 23 -2.176 11.595 -9.970 164 HB2 ASP 23 2HB ASP 23 0.038 10.463 -8.407 165 HB3 ASP 23 1HB ASP 23 -0.593 9.446 -9.665 166 H ILE 24 H ILE 24 -1.972 9.896 -6.910 167 HA ILE 24 HA ILE 24 -3.477 7.673 -7.706 168 HB ILE 24 HB ILE 24 -2.962 8.723 -4.919 169 HG12 ILE 24 2HG1 ILE 24 -1.820 6.329 -6.409 170 HG13 ILE 24 1HG1 ILE 24 -1.009 7.893 -6.386 171 HG21 ILE 24 1HG2 ILE 24 -4.888 7.399 -4.696 172 HG22 ILE 24 2HG2 ILE 24 -3.551 6.312 -4.337 173 HG23 ILE 24 3HG2 ILE 24 -4.341 6.239 -5.917 174 HD11 ILE 24 3HD1 ILE 24 -0.497 5.966 -4.589 175 HD12 ILE 24 1HD1 ILE 24 -1.839 6.757 -3.774 176 HD13 ILE 24 2HD1 ILE 24 -0.393 7.678 -4.182 177 H ARG 25 H ARG 25 -4.453 10.706 -6.153 178 HA ARG 25 HA ARG 25 -7.126 10.028 -5.641 179 HB2 ARG 25 2HB ARG 25 -5.860 12.630 -6.433 180 HB3 ARG 25 1HB ARG 25 -7.592 12.520 -6.119 181 HG2 ARG 25 2HG ARG 25 -7.103 11.622 -3.846 182 HG3 ARG 25 1HG ARG 25 -5.382 11.727 -4.169 183 HD2 ARG 25 2HD ARG 25 -6.098 13.657 -2.856 184 HD3 ARG 25 1HD ARG 25 -5.568 14.182 -4.447 185 HE ARG 25 HE ARG 25 -8.345 13.704 -4.560 186 HH11 ARG 25 1HH2 ARG 25 -6.111 15.886 -2.961 187 HH12 ARG 25 2HH2 ARG 25 -7.196 17.201 -2.998 188 HH21 ARG 25 1HH1 ARG 25 -9.756 15.489 -4.601 189 HH22 ARG 25 2HH1 ARG 25 -9.290 16.996 -3.939 190 H SER 26 H SER 26 -5.647 11.251 -8.602 191 HA SER 26 HA SER 26 -8.016 11.190 -10.181 192 HB2 SER 26 2HB SER 26 -5.101 11.081 -10.815 193 HB3 SER 26 1HB SER 26 -6.334 11.070 -12.093 194 HG SER 26 HG SER 26 -6.695 13.127 -11.674 195 H LEU 27 H LEU 27 -5.469 8.795 -9.520 196 HA LEU 27 HA LEU 27 -6.432 6.772 -11.266 197 HB2 LEU 27 2HB LEU 27 -4.837 6.535 -8.698 198 HB3 LEU 27 1HB LEU 27 -5.168 5.211 -9.809 199 HG LEU 27 HG LEU 27 -3.792 7.766 -10.651 200 HD11 LEU 27 1HD1 LEU 27 -2.457 6.414 -8.959 201 HD12 LEU 27 2HD1 LEU 27 -1.698 6.628 -10.523 202 HD13 LEU 27 3HD1 LEU 27 -2.478 5.094 -10.134 203 HD21 LEU 27 3HD2 LEU 27 -4.852 6.522 -12.515 204 HD22 LEU 27 1HD2 LEU 27 -4.054 5.045 -11.951 205 HD23 LEU 27 2HD2 LEU 27 -3.094 6.362 -12.575 206 H LEU 28 H LEU 28 -7.070 7.520 -7.885 207 HA LEU 28 HA LEU 28 -8.920 5.314 -7.589 208 HB2 LEU 28 2HB LEU 28 -8.485 7.723 -5.799 209 HB3 LEU 28 1HB LEU 28 -9.423 6.311 -5.362 210 HG LEU 28 HG LEU 28 -6.449 6.351 -5.982 211 HD11 LEU 28 1HD1 LEU 28 -7.964 6.003 -3.390 212 HD12 LEU 28 2HD1 LEU 28 -6.897 7.333 -3.808 213 HD13 LEU 28 3HD1 LEU 28 -6.240 5.709 -3.575 214 HD21 LEU 28 3HD2 LEU 28 -8.092 4.028 -4.912 215 HD22 LEU 28 1HD2 LEU 28 -6.419 4.021 -5.415 216 HD23 LEU 28 2HD2 LEU 28 -7.672 4.171 -6.625 217 H GLN 29 H GLN 29 -9.074 7.933 -9.392 218 HA GLN 29 HA GLN 29 -10.717 9.262 -10.241 219 HB2 GLN 29 2HB GLN 29 -12.696 7.182 -9.360 220 HB3 GLN 29 1HB GLN 29 -12.702 8.159 -10.831 221 HG2 GLN 29 2HG GLN 29 -10.696 5.953 -10.216 222 HG3 GLN 29 1HG GLN 29 -12.077 5.771 -11.275 223 HE21 GLN 29 1HE2 GLN 29 -8.860 6.155 -11.440 224 HE22 GLN 29 2HE2 GLN 29 -8.727 7.043 -12.870 225 H CYS 30 H CYS 30 -9.947 9.997 -7.734 226 HA CYS 30 HA CYS 30 -12.020 10.057 -5.838 227 HB2 CYS 30 2HB CYS 30 -9.751 10.449 -5.111 228 HB3 CYS 30 1HB CYS 30 -9.593 11.838 -6.178 229 HG CYS 30 HG CYS 30 -11.686 11.902 -3.834 230 H ASP 31 H ASP 31 -13.671 10.496 -7.302 231 HA ASP 31 HA ASP 31 -13.956 13.189 -8.417 232 HB2 ASP 31 2HB ASP 31 -15.765 10.758 -8.587 233 HB3 ASP 31 1HB ASP 31 -16.037 12.279 -9.418 234 H ASP 32 H ASP 32 -14.344 12.003 -5.489 235 HA ASP 32 HA ASP 32 -16.658 12.182 -4.310 236 HB2 ASP 32 2HB ASP 32 -14.144 13.640 -3.520 237 HB3 ASP 32 1HB ASP 32 -15.554 13.707 -2.506 238 H GLY 33 H GLY 33 -18.391 13.226 -4.976 239 HA2 GLY 33 2HA GLY 33 -19.379 15.586 -4.440 240 HA3 GLY 33 1HA GLY 33 -18.218 16.079 -5.665 241 H ILE 34 H ILE 34 -18.369 14.696 -7.758 242 HA ILE 34 HA ILE 34 -20.898 15.147 -8.862 243 HB ILE 34 HB ILE 34 -19.009 15.176 -10.320 244 HG12 ILE 34 2HG1 ILE 34 -19.684 13.420 -12.041 245 HG13 ILE 34 1HG1 ILE 34 -20.793 12.777 -10.876 246 HG21 ILE 34 1HG2 ILE 34 -17.307 13.830 -10.070 247 HG22 ILE 34 2HG2 ILE 34 -18.258 12.440 -10.563 248 HG23 ILE 34 3HG2 ILE 34 -18.140 12.865 -8.863 249 HD11 ILE 34 3HD1 ILE 34 -20.879 15.714 -11.550 250 HD12 ILE 34 1HD1 ILE 34 -22.132 14.696 -10.825 251 HD13 ILE 34 2HD1 ILE 34 -21.738 14.500 -12.522 252 H THR 35 H THR 35 -19.458 12.211 -7.631 253 HA THR 35 HA THR 35 -22.082 10.906 -7.965 254 HB THR 35 HB THR 35 -20.909 9.203 -8.762 255 HG1 THR 35 1HG THR 35 -20.586 9.045 -6.084 256 HG21 THR 35 3HG2 THR 35 -18.310 10.400 -7.753 257 HG22 THR 35 1HG2 THR 35 -19.042 10.709 -9.327 258 HG23 THR 35 2HG2 THR 35 -18.481 9.106 -8.941 259 H GLY 36 H GLY 36 -21.333 12.985 -6.031 260 HA2 GLY 36 2HA GLY 36 -21.783 13.422 -3.830 261 HA3 GLY 36 1HA GLY 36 -22.142 11.709 -3.554 262 H LYS 37 H LYS 37 -20.675 12.258 -1.603 263 HA LYS 37 HA LYS 37 -17.851 11.914 -2.464 264 HB2 LYS 37 2HB LYS 37 -19.048 13.040 0.058 265 HB3 LYS 37 1HB LYS 37 -17.334 12.712 -0.172 266 HG2 LYS 37 2HG LYS 37 -17.268 14.877 -0.921 267 HG3 LYS 37 1HG LYS 37 -17.770 14.150 -2.428 268 HD2 LYS 37 2HD LYS 37 -19.170 16.077 -1.902 269 HD3 LYS 37 1HD LYS 37 -20.119 14.621 -1.953 270 HE2 LYS 37 2HE LYS 37 -20.786 14.906 0.200 271 HE3 LYS 37 1HE LYS 37 -19.123 15.012 0.758 272 HZ1 LYS 37 3HZ LYS 37 -19.129 17.258 0.643 273 HZ2 LYS 37 1HZ LYS 37 -20.749 17.013 0.986 274 HZ3 LYS 37 2HZ LYS 37 -20.291 17.360 -0.596 275 H GLU 38 H GLU 38 -17.205 9.995 -2.314 276 HA GLU 38 HA GLU 38 -18.238 8.148 -0.289 277 HB2 GLU 38 2HB GLU 38 -16.813 7.694 -2.854 278 HB3 GLU 38 1HB GLU 38 -16.522 6.563 -1.531 279 HG2 GLU 38 2HG GLU 38 -19.271 7.332 -2.582 280 HG3 GLU 38 1HG GLU 38 -18.342 5.903 -3.019 281 H ARG 39 H ARG 39 -17.078 7.523 1.310 282 HA ARG 39 HA ARG 39 -14.584 8.929 1.877 283 HB2 ARG 39 2HB ARG 39 -16.261 6.963 3.424 284 HB3 ARG 39 1HB ARG 39 -14.585 7.234 3.876 285 HG2 ARG 39 2HG ARG 39 -15.860 8.763 5.165 286 HG3 ARG 39 1HG ARG 39 -15.056 9.723 3.912 287 HD2 ARG 39 2HD ARG 39 -17.148 9.518 2.544 288 HD3 ARG 39 1HD ARG 39 -17.920 8.732 3.912 289 HE ARG 39 HE ARG 39 -17.034 11.026 5.018 290 HH11 ARG 39 1HH2 ARG 39 -18.804 10.358 2.051 291 HH12 ARG 39 2HH2 ARG 39 -19.639 11.843 2.086 292 HH21 ARG 39 1HH1 ARG 39 -18.149 12.998 5.018 293 HH22 ARG 39 2HH1 ARG 39 -19.288 13.382 3.808 294 H LEU 40 H LEU 40 -12.608 8.155 1.368 295 HA LEU 40 HA LEU 40 -12.398 5.813 -0.237 296 HB2 LEU 40 2HB LEU 40 -10.292 7.570 1.085 297 HB3 LEU 40 1HB LEU 40 -9.909 6.152 0.123 298 HG LEU 40 HG LEU 40 -11.297 7.122 -1.760 299 HD11 LEU 40 1HD1 LEU 40 -11.275 9.513 0.101 300 HD12 LEU 40 2HD1 LEU 40 -12.671 8.739 -0.625 301 HD13 LEU 40 3HD1 LEU 40 -11.538 9.660 -1.628 302 HD21 LEU 40 3HD2 LEU 40 -9.496 8.257 -2.646 303 HD22 LEU 40 1HD2 LEU 40 -8.677 7.429 -1.322 304 HD23 LEU 40 2HD2 LEU 40 -9.154 9.122 -1.153 305 H LYS 41 H LYS 41 -11.968 3.769 0.320 306 HA LYS 41 HA LYS 41 -11.563 3.257 3.199 307 HB2 LYS 41 2HB LYS 41 -13.350 1.791 1.254 308 HB3 LYS 41 1HB LYS 41 -13.009 1.245 2.881 309 HG2 LYS 41 2HG LYS 41 -13.935 4.091 2.673 310 HG3 LYS 41 1HG LYS 41 -15.107 2.859 2.266 311 HD2 LYS 41 2HD LYS 41 -15.366 3.201 4.602 312 HD3 LYS 41 1HD LYS 41 -14.525 1.674 4.441 313 HE2 LYS 41 2HE LYS 41 -13.563 3.205 6.193 314 HE3 LYS 41 1HE LYS 41 -12.396 2.644 4.997 315 HZ1 LYS 41 3HZ LYS 41 -13.841 5.232 4.761 316 HZ2 LYS 41 1HZ LYS 41 -12.407 4.837 3.952 317 HZ3 LYS 41 2HZ LYS 41 -12.409 5.105 5.602 318 H ALA 42 H ALA 42 -10.171 1.780 3.815 319 HA ALA 42 HA ALA 42 -8.833 0.232 1.721 320 HB1 ALA 42 1HB ALA 42 -6.659 0.723 2.867 321 HB2 ALA 42 2HB ALA 42 -7.514 1.946 3.821 322 HB3 ALA 42 3HB ALA 42 -7.396 2.117 2.075 323 H TYR 43 H TYR 43 -8.087 -1.744 2.304 324 HA TYR 43 HA TYR 43 -8.170 -2.663 5.033 325 HB2 TYR 43 2HB TYR 43 -9.828 -4.515 4.387 326 HB3 TYR 43 1HB TYR 43 -10.461 -2.918 4.749 327 HD1 TYR 43 1HD TYR 43 -9.249 -4.958 1.819 328 HD2 TYR 43 2HD TYR 43 -11.889 -1.855 3.196 329 HE1 TYR 43 1HE TYR 43 -10.281 -4.870 -0.388 330 HE2 TYR 43 2HE TYR 43 -12.923 -1.754 0.992 331 HH TYR 43 HH TYR 43 -12.974 -2.616 -1.083 332 H GLY 44 H GLY 44 -7.561 -5.081 5.160 333 HA2 GLY 44 2HA GLY 44 -5.361 -5.657 3.498 334 HA3 GLY 44 1HA GLY 44 -6.155 -6.735 4.613 335 H GLU 45 H GLU 45 -5.402 -7.588 2.081 336 HA GLU 45 HA GLU 45 -6.955 -7.608 -0.056 337 HB2 GLU 45 2HB GLU 45 -5.983 -9.923 1.543 338 HB3 GLU 45 1HB GLU 45 -6.574 -10.168 -0.110 339 HG2 GLU 45 2HG GLU 45 -4.833 -8.559 -0.902 340 HG3 GLU 45 1HG GLU 45 -4.271 -8.365 0.763 341 H LEU 46 H LEU 46 -9.002 -8.049 -0.637 342 HA LEU 46 HA LEU 46 -10.952 -8.461 1.463 343 HB2 LEU 46 2HB LEU 46 -12.647 -7.901 -0.141 344 HB3 LEU 46 1HB LEU 46 -11.363 -6.707 -0.220 345 HG LEU 46 HG LEU 46 -11.717 -9.046 -2.167 346 HD11 LEU 46 1HD1 LEU 46 -12.214 -7.226 -3.789 347 HD12 LEU 46 2HD1 LEU 46 -12.306 -6.105 -2.437 348 HD13 LEU 46 3HD1 LEU 46 -13.443 -7.453 -2.551 349 HD21 LEU 46 3HD2 LEU 46 -10.055 -7.492 -3.463 350 HD22 LEU 46 1HD2 LEU 46 -9.392 -8.588 -2.273 351 HD23 LEU 46 2HD2 LEU 46 -9.610 -6.864 -1.900 352 H ILE 47 H ILE 47 -9.982 -10.158 -1.478 353 HA ILE 47 HA ILE 47 -11.934 -12.228 -1.246 354 HB ILE 47 HB ILE 47 -10.554 -13.402 -2.929 355 HG12 ILE 47 2HG1 ILE 47 -8.739 -10.957 -2.718 356 HG13 ILE 47 1HG1 ILE 47 -8.316 -12.564 -2.130 357 HG21 ILE 47 1HG2 ILE 47 -10.745 -10.548 -3.839 358 HG22 ILE 47 2HG2 ILE 47 -12.215 -11.387 -3.351 359 HG23 ILE 47 3HG2 ILE 47 -11.220 -12.029 -4.656 360 HD11 ILE 47 3HD1 ILE 47 -8.552 -13.464 -4.444 361 HD12 ILE 47 1HD1 ILE 47 -7.384 -12.137 -4.396 362 HD13 ILE 47 2HD1 ILE 47 -9.015 -11.872 -4.994 363 H THR 48 H THR 48 -9.101 -11.582 0.454 364 HA THR 48 HA THR 48 -8.036 -14.048 1.115 365 HB THR 48 HB THR 48 -8.084 -12.259 3.352 366 HG1 THR 48 1HG THR 48 -8.184 -10.367 2.354 367 HG21 THR 48 3HG2 THR 48 -5.881 -12.103 1.404 368 HG22 THR 48 1HG2 THR 48 -6.217 -13.715 2.014 369 HG23 THR 48 2HG2 THR 48 -5.845 -12.413 3.133 370 H ASN 49 H ASN 49 -10.602 -12.084 2.524 371 HA ASN 49 HA ASN 49 -11.116 -13.887 4.688 372 HB2 ASN 49 2HB ASN 49 -11.313 -11.375 4.658 373 HB3 ASN 49 1HB ASN 49 -12.890 -11.585 3.894 374 HD21 ASN 49 1HD2 ASN 49 -14.609 -12.436 5.224 375 HD22 ASN 49 2HD2 ASN 49 -14.427 -12.708 6.891 376 H ASP 50 H ASP 50 -11.798 -14.505 1.623 377 HA ASP 50 HA ASP 50 -14.604 -14.906 1.722 378 HB2 ASP 50 2HB ASP 50 -14.444 -15.969 -0.380 379 HB3 ASP 50 1HB ASP 50 -13.184 -14.747 -0.422 380 H LYS 51 H LYS 51 -12.035 -17.343 1.721 381 HA LYS 51 HA LYS 51 -13.760 -19.050 3.473 382 HB2 LYS 51 2HB LYS 51 -11.568 -19.983 1.592 383 HB3 LYS 51 1HB LYS 51 -12.745 -20.982 2.446 384 HG2 LYS 51 2HG LYS 51 -14.493 -20.299 1.082 385 HG3 LYS 51 1HG LYS 51 -13.648 -18.847 0.529 386 HD2 LYS 51 2HD LYS 51 -11.975 -20.327 -0.635 387 HD3 LYS 51 1HD LYS 51 -12.913 -21.725 -0.166 388 HE2 LYS 51 2HE LYS 51 -13.251 -20.607 -2.502 389 HE3 LYS 51 1HE LYS 51 -14.652 -21.241 -1.665 390 HZ1 LYS 51 3HZ LYS 51 -14.877 -18.889 -2.555 391 HZ2 LYS 51 1HZ LYS 51 -13.720 -18.410 -1.424 392 HZ3 LYS 51 2HZ LYS 51 -15.203 -19.061 -0.915 393 H TRP 52 H TRP 52 -10.472 -19.897 2.761 394 HA TRP 52 HA TRP 52 -9.524 -18.994 5.415 395 HB2 TRP 52 2HB TRP 52 -7.931 -21.046 4.072 396 HB3 TRP 52 1HB TRP 52 -8.511 -21.019 5.713 397 HD1 TRP 52 HD TRP 52 -8.875 -22.944 2.702 398 HE1 TRP 52 1HE TRP 52 -11.050 -24.277 2.652 399 HE3 TRP 52 3HE TRP 52 -11.395 -20.610 6.459 400 HZ2 TRP 52 2HZ TRP 52 -13.554 -24.356 4.030 401 HZ3 TRP 52 3HZ TRP 52 -13.693 -21.338 7.071 402 HH2 TRP 52 HH TRP 52 -14.769 -23.206 5.862 403 H THR 53 H THR 53 -9.523 -18.400 2.203 404 HA THR 53 HA THR 53 -6.917 -18.281 1.385 405 HB THR 53 HB THR 53 -8.851 -16.228 0.391 406 HG1 THR 53 1HG THR 53 -10.308 -17.669 0.250 407 HG21 THR 53 3HG2 THR 53 -7.028 -18.262 -0.942 408 HG22 THR 53 1HG2 THR 53 -6.692 -16.541 -0.744 409 HG23 THR 53 2HG2 THR 53 -8.003 -17.034 -1.776 410 H ARG 54 H ARG 54 -8.138 -16.576 3.867 411 HA ARG 54 HA ARG 54 -7.527 -13.995 3.840 412 HB2 ARG 54 2HB ARG 54 -6.965 -14.153 6.278 413 HB3 ARG 54 1HB ARG 54 -8.510 -14.787 5.742 414 HG2 ARG 54 2HG ARG 54 -7.758 -17.020 5.789 415 HG3 ARG 54 1HG ARG 54 -6.075 -16.527 5.983 416 HD2 ARG 54 2HD ARG 54 -6.451 -15.673 8.151 417 HD3 ARG 54 1HD ARG 54 -8.189 -15.764 7.938 418 HE ARG 54 HE ARG 54 -8.124 -17.991 8.588 419 HH11 ARG 54 1HH2 ARG 54 -4.938 -16.999 7.534 420 HH12 ARG 54 2HH2 ARG 54 -4.180 -18.473 7.933 421 HH21 ARG 54 1HH1 ARG 54 -7.117 -19.960 9.180 422 HH22 ARG 54 2HH1 ARG 54 -5.443 -20.187 8.903 423 H ASN 55 H ASN 55 -5.210 -15.657 2.590 424 HA ASN 55 HA ASN 55 -2.855 -15.697 3.616 425 HB2 ASN 55 2HB ASN 55 -3.688 -15.376 1.053 426 HB3 ASN 55 1HB ASN 55 -2.768 -13.913 1.248 427 HD21 ASN 55 1HD2 ASN 55 -0.865 -15.149 3.263 428 HD22 ASN 55 2HD2 ASN 55 0.120 -16.159 2.333 429 H ARG 56 H ARG 56 -3.546 -12.403 2.246 430 HA ARG 56 HA ARG 56 -2.026 -11.349 4.553 431 HB2 ARG 56 2HB ARG 56 -2.194 -10.000 1.895 432 HB3 ARG 56 1HB ARG 56 -1.148 -9.610 3.195 433 HG2 ARG 56 2HG ARG 56 -0.997 -12.387 1.954 434 HG3 ARG 56 1HG ARG 56 -0.113 -11.050 1.252 435 HD2 ARG 56 2HD ARG 56 0.222 -12.285 3.975 436 HD3 ARG 56 1HD ARG 56 1.439 -12.052 2.764 437 HE ARG 56 HE ARG 56 0.254 -9.957 4.484 438 HH11 ARG 56 1HH2 ARG 56 2.722 -10.960 2.212 439 HH12 ARG 56 2HH2 ARG 56 3.729 -9.626 2.445 440 HH21 ARG 56 1HH1 ARG 56 1.635 -8.071 4.841 441 HH22 ARG 56 2HH1 ARG 56 3.088 -7.941 3.988 442 HA PRO 57 HA PRO 57 -5.645 -8.732 5.249 443 HB2 PRO 57 2HB PRO 57 -4.764 -8.686 7.960 444 HB3 PRO 57 1HB PRO 57 -6.280 -9.326 7.333 445 HG2 PRO 57 2HG PRO 57 -3.866 -10.860 8.075 446 HG3 PRO 57 1HG PRO 57 -5.514 -11.415 7.811 447 HD2 PRO 57 2HD PRO 57 -3.561 -12.015 6.049 448 HD3 PRO 57 1HD PRO 57 -5.257 -11.723 5.555 449 H ILE 58 H ILE 58 -5.258 -6.544 6.714 450 HA ILE 58 HA ILE 58 -3.048 -5.166 5.588 451 HB ILE 58 HB ILE 58 -4.579 -4.530 8.135 452 HG12 ILE 58 2HG1 ILE 58 -4.955 -3.402 5.331 453 HG13 ILE 58 1HG1 ILE 58 -5.905 -4.710 6.033 454 HG21 ILE 58 1HG2 ILE 58 -3.830 -2.156 7.490 455 HG22 ILE 58 2HG2 ILE 58 -2.630 -2.924 6.463 456 HG23 ILE 58 3HG2 ILE 58 -2.623 -3.201 8.216 457 HD11 ILE 58 3HD1 ILE 58 -6.619 -2.106 6.226 458 HD12 ILE 58 1HD1 ILE 58 -5.690 -2.283 7.710 459 HD13 ILE 58 2HD1 ILE 58 -7.073 -3.337 7.422 460 H VAL 59 H VAL 59 -1.460 -6.838 5.974 461 HA VAL 59 HA VAL 59 -0.296 -6.782 8.681 462 HB VAL 59 HB VAL 59 0.315 -9.124 8.384 463 HG11 VAL 59 1HG1 VAL 59 -2.517 -9.285 7.627 464 HG12 VAL 59 2HG1 VAL 59 -2.191 -8.150 8.936 465 HG13 VAL 59 3HG1 VAL 59 -1.727 -9.847 9.094 466 HG21 VAL 59 3HG2 VAL 59 -1.244 -10.047 6.259 467 HG22 VAL 59 1HG2 VAL 59 0.501 -9.898 6.262 468 HG23 VAL 59 2HG2 VAL 59 -0.536 -8.621 5.569 469 H SER 60 H SER 60 1.803 -6.385 8.862 470 HA SER 60 HA SER 60 3.391 -6.132 6.386 471 HB2 SER 60 2HB SER 60 4.999 -4.881 7.921 472 HB3 SER 60 1HB SER 60 3.465 -4.081 7.626 473 HG SER 60 HG SER 60 2.781 -5.172 9.673 474 H THR 61 H THR 61 4.454 -8.027 5.951 475 HA THR 61 HA THR 61 5.058 -9.898 7.986 476 HB THR 61 HB THR 61 6.408 -11.000 6.193 477 HG1 THR 61 1HG THR 61 6.999 -9.860 4.523 478 HG21 THR 61 3HG2 THR 61 4.494 -11.267 4.569 479 HG22 THR 61 1HG2 THR 61 3.653 -10.008 5.470 480 HG23 THR 61 2HG2 THR 61 4.067 -11.538 6.257 481 H LYS 62 H LYS 62 6.922 -10.115 9.145 482 HA LYS 62 HA LYS 62 8.771 -7.827 8.984 483 HB2 LYS 62 2HB LYS 62 8.471 -9.882 11.203 484 HB3 LYS 62 1HB LYS 62 9.409 -8.410 11.237 485 HG2 LYS 62 2HG LYS 62 6.387 -8.480 10.904 486 HG3 LYS 62 1HG LYS 62 7.214 -8.188 12.423 487 HD2 LYS 62 2HD LYS 62 8.331 -6.210 11.439 488 HD3 LYS 62 1HD LYS 62 7.415 -6.440 9.941 489 HE2 LYS 62 2HE LYS 62 6.154 -6.046 12.679 490 HE3 LYS 62 1HE LYS 62 6.346 -4.771 11.504 491 HZ1 LYS 62 3HZ LYS 62 4.478 -5.488 10.436 492 HZ2 LYS 62 1HZ LYS 62 4.270 -6.544 11.690 493 HZ3 LYS 62 2HZ LYS 62 5.033 -7.030 10.255 494 H LYS 63 H LYS 63 10.541 -8.214 7.845 495 HA LYS 63 HA LYS 63 11.841 -10.871 8.148 496 HB2 LYS 63 2HB LYS 63 11.928 -9.031 5.784 497 HB3 LYS 63 1HB LYS 63 12.920 -10.475 5.956 498 HG2 LYS 63 2HG LYS 63 10.487 -11.585 6.390 499 HG3 LYS 63 1HG LYS 63 9.995 -10.250 5.353 500 HD2 LYS 63 2HD LYS 63 12.088 -12.343 4.708 501 HD3 LYS 63 1HD LYS 63 10.490 -12.183 4.009 502 HE2 LYS 63 2HE LYS 63 11.095 -10.474 2.612 503 HE3 LYS 63 1HE LYS 63 12.174 -9.722 3.781 504 HZ1 LYS 63 3HZ LYS 63 12.964 -12.307 2.589 505 HZ2 LYS 63 1HZ LYS 63 13.901 -11.036 3.175 506 HZ3 LYS 63 2HZ LYS 63 13.113 -10.920 1.678 507 H LEU 64 H LEU 64 13.493 -10.644 9.474 508 HA LEU 64 HA LEU 64 15.104 -8.196 9.279 509 HB2 LEU 64 2HB LEU 64 14.361 -8.979 11.582 510 HB3 LEU 64 1HB LEU 64 15.323 -10.425 11.316 511 HG LEU 64 HG LEU 64 17.388 -9.194 11.312 512 HD11 LEU 64 1HD1 LEU 64 15.608 -6.749 11.043 513 HD12 LEU 64 2HD1 LEU 64 16.872 -7.284 9.911 514 HD13 LEU 64 3HD1 LEU 64 17.301 -6.666 11.496 515 HD21 LEU 64 3HD2 LEU 64 17.289 -7.996 13.430 516 HD22 LEU 64 1HD2 LEU 64 16.248 -9.420 13.558 517 HD23 LEU 64 2HD2 LEU 64 15.554 -7.821 13.274 518 H ASP 65 H ASP 65 15.898 -8.652 7.331 519 HA ASP 65 HA ASP 65 17.237 -11.168 6.781 520 HB2 ASP 65 2HB ASP 65 16.160 -8.924 5.225 521 HB3 ASP 65 1HB ASP 65 17.649 -9.551 4.588 522 H LYS 66 H LYS 66 19.140 -10.584 5.145 523 HA LYS 66 HA LYS 66 21.468 -9.974 6.603 524 HB2 LYS 66 2HB LYS 66 22.468 -9.617 4.294 525 HB3 LYS 66 1HB LYS 66 21.704 -11.184 4.560 526 HG2 LYS 66 2HG LYS 66 19.891 -9.045 3.515 527 HG3 LYS 66 1HG LYS 66 21.150 -9.592 2.424 528 HD2 LYS 66 2HD LYS 66 20.412 -11.746 2.348 529 HD3 LYS 66 1HD LYS 66 19.493 -11.731 3.826 530 HE2 LYS 66 2HE LYS 66 18.025 -9.923 2.606 531 HE3 LYS 66 1HE LYS 66 18.794 -10.533 1.143 532 HZ1 LYS 66 3HZ LYS 66 18.000 -12.802 1.791 533 HZ2 LYS 66 1HZ LYS 66 16.770 -11.679 1.525 534 HZ3 LYS 66 2HZ LYS 66 17.186 -12.096 3.106 535 H GLU 67 H GLU 67 19.020 -7.988 5.438 536 HA GLU 67 HA GLU 67 20.364 -5.580 4.842 537 HB2 GLU 67 2HB GLU 67 17.552 -6.130 5.874 538 HB3 GLU 67 1HB GLU 67 18.144 -4.560 5.361 539 HG2 GLU 67 2HG GLU 67 18.677 -5.422 3.125 540 HG3 GLU 67 1HG GLU 67 18.159 -7.032 3.602 541 H GLY 68 H GLY 68 19.327 -7.139 7.823 542 HA2 GLY 68 2HA GLY 68 20.159 -6.793 9.964 543 HA3 GLY 68 1HA GLY 68 20.982 -5.343 9.406 544 H ARG 69 H ARG 69 18.110 -4.974 8.101 545 HA ARG 69 HA ARG 69 16.904 -3.658 10.467 546 HB2 ARG 69 2HB ARG 69 16.309 -2.803 7.631 547 HB3 ARG 69 1HB ARG 69 16.197 -1.892 9.121 548 HG2 ARG 69 2HG ARG 69 18.751 -2.732 7.747 549 HG3 ARG 69 1HG ARG 69 18.082 -1.100 7.787 550 HD2 ARG 69 2HD ARG 69 18.194 -1.519 10.428 551 HD3 ARG 69 1HD ARG 69 19.491 -2.605 9.977 552 HE ARG 69 HE ARG 69 19.569 0.252 9.927 553 HH11 ARG 69 1HH2 ARG 69 20.734 -2.607 8.250 554 HH12 ARG 69 2HH2 ARG 69 22.117 -1.827 7.635 555 HH21 ARG 69 1HH1 ARG 69 21.394 1.264 9.108 556 HH22 ARG 69 2HH1 ARG 69 22.489 0.417 8.097 557 H THR 70 H THR 70 14.807 -4.291 10.839 558 HA THR 70 HA THR 70 13.890 -6.651 9.521 559 HB THR 70 HB THR 70 12.102 -4.885 11.196 560 HG1 THR 70 1HG THR 70 13.697 -5.059 12.580 561 HG21 THR 70 3HG2 THR 70 11.437 -7.116 9.963 562 HG22 THR 70 1HG2 THR 70 10.881 -6.773 11.595 563 HG23 THR 70 2HG2 THR 70 12.244 -7.863 11.348 564 H HIS 71 H HIS 71 12.993 -6.775 7.616 565 HA HIS 71 HA HIS 71 12.047 -4.419 6.201 566 HB2 HIS 71 2HB HIS 71 13.395 -6.533 5.356 567 HB3 HIS 71 1HB HIS 71 11.781 -7.186 5.125 568 HD1 HIS 71 1HD HIS 71 14.300 -5.404 3.345 569 HD2 HIS 71 2HD HIS 71 10.100 -5.072 3.460 570 HE1 HIS 71 1HE HIS 71 13.568 -4.238 1.214 571 HE2 HIS 71 2HE HIS 71 11.020 -4.076 1.269 572 H HIS 72 H HIS 72 9.981 -3.836 6.009 573 HA HIS 72 HA HIS 72 7.828 -5.592 7.015 574 HB2 HIS 72 2HB HIS 72 8.099 -2.616 6.597 575 HB3 HIS 72 1HB HIS 72 6.524 -3.363 6.762 576 HD1 HIS 72 1HD HIS 72 6.073 -2.235 9.037 577 HD2 HIS 72 2HD HIS 72 9.530 -4.590 9.053 578 HE1 HIS 72 1HE HIS 72 6.801 -2.466 11.452 579 HE2 HIS 72 2HE HIS 72 8.875 -3.897 11.477 580 H TYR 73 H TYR 73 6.649 -6.592 5.398 581 HA TYR 73 HA TYR 73 6.403 -5.203 2.791 582 HB2 TYR 73 2HB TYR 73 5.961 -8.144 3.351 583 HB3 TYR 73 1HB TYR 73 5.849 -7.372 1.802 584 HD1 TYR 73 1HD TYR 73 8.230 -8.220 4.516 585 HD2 TYR 73 2HD TYR 73 7.774 -6.776 0.499 586 HE1 TYR 73 1HE TYR 73 10.628 -8.468 4.168 587 HE2 TYR 73 2HE TYR 73 10.195 -7.018 0.144 588 HH TYR 73 HH TYR 73 12.375 -7.152 2.367 589 H MET 74 H MET 74 4.653 -3.926 3.141 590 HA MET 74 HA MET 74 2.274 -5.172 4.358 591 HB2 MET 74 2HB MET 74 3.246 -3.219 5.538 592 HB3 MET 74 1HB MET 74 2.970 -2.243 4.086 593 HG2 MET 74 2HG MET 74 0.553 -2.664 4.256 594 HG3 MET 74 1HG MET 74 0.809 -3.662 5.685 595 HE1 MET 74 3HE MET 74 1.285 -0.533 3.889 596 HE2 MET 74 1HE MET 74 2.617 0.077 4.892 597 HE3 MET 74 2HE MET 74 1.011 0.776 5.029 598 H ARG 75 H ARG 75 0.454 -5.363 3.185 599 HA ARG 75 HA ARG 75 0.139 -3.678 0.831 600 HB2 ARG 75 2HB ARG 75 -0.977 -5.633 -0.333 601 HB3 ARG 75 1HB ARG 75 0.772 -5.680 -0.238 602 HG2 ARG 75 2HG ARG 75 0.758 -7.317 1.515 603 HG3 ARG 75 1HG ARG 75 -0.953 -7.043 1.853 604 HD2 ARG 75 2HD ARG 75 -0.579 -9.137 0.558 605 HD3 ARG 75 1HD ARG 75 -1.569 -7.967 -0.309 606 HE ARG 75 HE ARG 75 1.171 -7.636 -0.996 607 HH11 ARG 75 1HH2 ARG 75 -1.552 -9.816 -1.406 608 HH12 ARG 75 2HH2 ARG 75 -1.026 -10.355 -2.947 609 HH21 ARG 75 1HH1 ARG 75 1.832 -8.370 -3.072 610 HH22 ARG 75 2HH1 ARG 75 0.900 -9.539 -3.897 611 H PHE 76 H PHE 76 -1.971 -3.141 0.368 612 HA PHE 76 HA PHE 76 -4.099 -4.375 1.799 613 HB2 PHE 76 2HB PHE 76 -4.972 -2.293 2.837 614 HB3 PHE 76 1HB PHE 76 -3.455 -2.840 3.527 615 HD1 PHE 76 2HD PHE 76 -1.350 -1.645 3.089 616 HD2 PHE 76 1HD PHE 76 -5.090 -0.217 1.519 617 HE1 PHE 76 2HE PHE 76 -0.311 0.558 2.626 618 HE2 PHE 76 1HE PHE 76 -4.024 2.016 1.063 619 HZ PHE 76 HZ PHE 76 -1.663 2.383 1.613 620 H HIS 77 H HIS 77 -6.212 -3.625 1.142 621 HA HIS 77 HA HIS 77 -6.126 -2.756 -1.648 622 HB2 HIS 77 2HB HIS 77 -7.871 -4.677 -0.132 623 HB3 HIS 77 1HB HIS 77 -8.520 -3.848 -1.536 624 HD1 HIS 77 1HD HIS 77 -5.559 -6.067 -0.602 625 HD2 HIS 77 2HD HIS 77 -7.717 -4.917 -3.988 626 HE1 HIS 77 1HE HIS 77 -4.684 -7.464 -2.546 627 HE2 HIS 77 2HE HIS 77 -6.017 -6.783 -4.598 628 H VAL 78 H VAL 78 -7.526 -1.088 -2.269 629 HA VAL 78 HA VAL 78 -9.162 0.114 -0.137 630 HB VAL 78 HB VAL 78 -8.390 2.290 -0.513 631 HG11 VAL 78 1HG1 VAL 78 -6.727 0.650 0.568 632 HG12 VAL 78 2HG1 VAL 78 -6.098 2.211 0.022 633 HG13 VAL 78 3HG1 VAL 78 -5.821 0.768 -0.938 634 HG21 VAL 78 3HG2 VAL 78 -6.625 2.643 -2.459 635 HG22 VAL 78 1HG2 VAL 78 -8.352 2.615 -2.805 636 HG23 VAL 78 2HG2 VAL 78 -7.377 1.181 -3.123 637 H GLU 79 H GLU 79 -10.850 1.456 -0.867 638 HA GLU 79 HA GLU 79 -11.844 0.576 -3.504 639 HB2 GLU 79 2HB GLU 79 -13.274 1.448 -1.021 640 HB3 GLU 79 1HB GLU 79 -14.098 1.277 -2.587 641 HG2 GLU 79 2HG GLU 79 -13.468 -1.004 -2.749 642 HG3 GLU 79 1HG GLU 79 -12.425 -0.950 -1.347 643 H SER 80 H SER 80 -11.555 1.918 -5.040 644 HA SER 80 HA SER 80 -11.581 4.821 -4.604 645 HB2 SER 80 2HB SER 80 -11.112 4.823 -7.111 646 HB3 SER 80 1HB SER 80 -9.823 4.202 -6.068 647 HG SER 80 HG SER 80 -11.411 2.177 -6.694 648 H LYS 81 H LYS 81 -12.813 6.021 -6.368 649 HA LYS 81 HA LYS 81 -15.505 5.531 -5.748 650 HB2 LYS 81 2HB LYS 81 -14.413 7.181 -8.042 651 HB3 LYS 81 1HB LYS 81 -16.030 7.282 -7.344 652 HG2 LYS 81 2HG LYS 81 -13.409 7.926 -5.933 653 HG3 LYS 81 1HG LYS 81 -14.653 9.047 -6.446 654 HD2 LYS 81 2HD LYS 81 -16.258 7.621 -4.969 655 HD3 LYS 81 1HD LYS 81 -14.802 7.006 -4.240 656 HE2 LYS 81 2HE LYS 81 -14.709 9.930 -4.493 657 HE3 LYS 81 1HE LYS 81 -16.065 9.376 -3.537 658 HZ1 LYS 81 3HZ LYS 81 -13.544 9.697 -2.700 659 HZ2 LYS 81 1HZ LYS 81 -13.652 7.986 -2.752 660 HZ3 LYS 81 2HZ LYS 81 -14.765 8.964 -1.868 661 H LYS 82 H LYS 82 -13.556 4.575 -8.508 662 HA LYS 82 HA LYS 82 -15.963 3.359 -9.708 663 HB2 LYS 82 2HB LYS 82 -13.361 3.918 -11.133 664 HB3 LYS 82 1HB LYS 82 -14.936 3.609 -11.824 665 HG2 LYS 82 2HG LYS 82 -14.272 6.069 -10.156 666 HG3 LYS 82 1HG LYS 82 -14.369 6.030 -11.905 667 HD2 LYS 82 2HD LYS 82 -16.745 5.576 -11.865 668 HD3 LYS 82 1HD LYS 82 -16.708 5.228 -10.146 669 HE2 LYS 82 2HE LYS 82 -17.608 7.497 -10.689 670 HE3 LYS 82 1HE LYS 82 -16.230 7.542 -9.610 671 HZ1 LYS 82 3HZ LYS 82 -16.484 8.632 -12.228 672 HZ2 LYS 82 1HZ LYS 82 -15.135 7.643 -12.165 673 HZ3 LYS 82 2HZ LYS 82 -15.296 8.949 -11.108 674 H LYS 83 H LYS 83 -12.912 2.565 -8.300 675 HA LYS 83 HA LYS 83 -13.333 -0.297 -8.906 676 HB2 LYS 83 2HB LYS 83 -10.726 1.174 -9.405 677 HB3 LYS 83 1HB LYS 83 -10.956 -0.563 -9.553 678 HG2 LYS 83 2HG LYS 83 -12.490 1.500 -11.176 679 HG3 LYS 83 1HG LYS 83 -11.074 0.633 -11.741 680 HD2 LYS 83 2HD LYS 83 -12.150 -1.446 -11.709 681 HD3 LYS 83 1HD LYS 83 -13.508 -0.907 -10.742 682 HE2 LYS 83 2HE LYS 83 -13.061 0.583 -13.279 683 HE3 LYS 83 1HE LYS 83 -13.549 -1.091 -13.470 684 HZ1 LYS 83 3HZ LYS 83 -15.002 0.468 -11.472 685 HZ2 LYS 83 1HZ LYS 83 -15.597 -0.683 -12.555 686 HZ3 LYS 83 2HZ LYS 83 -15.246 0.925 -13.056 687 H ILE 84 H ILE 84 -11.470 -1.562 -7.835 688 HA ILE 84 HA ILE 84 -11.096 -0.561 -5.080 689 HB ILE 84 HB ILE 84 -11.141 -3.439 -6.092 690 HG12 ILE 84 2HG1 ILE 84 -13.154 -2.085 -4.289 691 HG13 ILE 84 1HG1 ILE 84 -13.386 -2.140 -6.041 692 HG21 ILE 84 1HG2 ILE 84 -11.086 -2.354 -3.285 693 HG22 ILE 84 2HG2 ILE 84 -9.672 -3.022 -4.107 694 HG23 ILE 84 3HG2 ILE 84 -11.070 -4.041 -3.756 695 HD11 ILE 84 3HD1 ILE 84 -12.742 -4.682 -4.596 696 HD12 ILE 84 1HD1 ILE 84 -13.676 -4.400 -6.061 697 HD13 ILE 84 2HD1 ILE 84 -14.385 -4.027 -4.488 698 H ALA 85 H ALA 85 -8.991 -0.188 -4.567 699 HA ALA 85 HA ALA 85 -6.954 -0.967 -6.573 700 HB1 ALA 85 1HB ALA 85 -6.097 1.137 -4.780 701 HB2 ALA 85 2HB ALA 85 -7.599 1.571 -5.600 702 HB3 ALA 85 3HB ALA 85 -6.176 1.115 -6.533 703 H LEU 86 H LEU 86 -4.890 -1.529 -5.930 704 HA LEU 86 HA LEU 86 -4.703 -2.665 -3.218 705 HB2 LEU 86 2HB LEU 86 -4.631 -4.476 -4.726 706 HB3 LEU 86 1HB LEU 86 -3.637 -3.618 -5.871 707 HG LEU 86 HG LEU 86 -1.739 -3.634 -4.210 708 HD11 LEU 86 1HD1 LEU 86 -3.860 -4.757 -2.510 709 HD12 LEU 86 2HD1 LEU 86 -2.374 -3.919 -2.099 710 HD13 LEU 86 3HD1 LEU 86 -2.334 -5.651 -2.473 711 HD21 LEU 86 3HD2 LEU 86 -2.921 -6.334 -4.934 712 HD22 LEU 86 1HD2 LEU 86 -1.267 -6.064 -4.389 713 HD23 LEU 86 2HD2 LEU 86 -1.810 -5.362 -5.912 714 H VAL 87 H VAL 87 -3.104 -1.947 -1.911 715 HA VAL 87 HA VAL 87 -0.973 -0.300 -3.131 716 HB VAL 87 HB VAL 87 -2.224 -0.002 -0.396 717 HG11 VAL 87 1HG1 VAL 87 -0.065 0.816 -0.132 718 HG12 VAL 87 2HG1 VAL 87 -0.916 2.255 -0.633 719 HG13 VAL 87 3HG1 VAL 87 0.062 1.358 -1.803 720 HG21 VAL 87 3HG2 VAL 87 -2.684 1.412 -3.023 721 HG22 VAL 87 1HG2 VAL 87 -2.908 2.289 -1.505 722 HG23 VAL 87 2HG2 VAL 87 -3.866 0.865 -1.810 723 H HIS 88 H HIS 88 1.062 -0.908 -2.720 724 HA HIS 88 HA HIS 88 1.544 -2.914 -0.605 725 HB2 HIS 88 2HB HIS 88 1.694 -4.125 -2.670 726 HB3 HIS 88 1HB HIS 88 2.558 -2.809 -3.445 727 HD1 HIS 88 1HD HIS 88 4.402 -4.647 -4.057 728 HD2 HIS 88 2HD HIS 88 4.063 -3.816 0.038 729 HE1 HIS 88 1HE HIS 88 6.446 -5.613 -2.946 730 HE2 HIS 88 2HE HIS 88 6.294 -5.113 -0.485 731 H LEU 89 H LEU 89 2.887 -2.221 0.889 732 HA LEU 89 HA LEU 89 4.863 -0.140 0.186 733 HB2 LEU 89 2HB LEU 89 2.969 0.789 1.460 734 HB3 LEU 89 1HB LEU 89 3.295 -0.344 2.758 735 HG LEU 89 HG LEU 89 5.581 1.357 1.809 736 HD11 LEU 89 1HD1 LEU 89 4.964 3.291 2.914 737 HD12 LEU 89 2HD1 LEU 89 3.745 2.477 3.906 738 HD13 LEU 89 3HD1 LEU 89 3.429 2.795 2.209 739 HD21 LEU 89 3HD2 LEU 89 5.105 -0.464 3.929 740 HD22 LEU 89 1HD2 LEU 89 5.170 1.130 4.673 741 HD23 LEU 89 2HD2 LEU 89 6.518 0.570 3.702 742 H GLU 90 H GLU 90 6.886 -0.407 0.840 743 HA GLU 90 HA GLU 90 7.393 -2.536 2.759 744 HB2 GLU 90 2HB GLU 90 9.044 -1.809 0.367 745 HB3 GLU 90 1HB GLU 90 9.693 -2.767 1.690 746 HG2 GLU 90 2HG GLU 90 7.959 -4.412 1.414 747 HG3 GLU 90 1HG GLU 90 7.196 -3.506 0.124 748 H ALA 91 H ALA 91 8.415 -1.995 4.521 749 HA ALA 91 HA ALA 91 10.080 0.396 4.559 750 HB1 ALA 91 1HB ALA 91 8.055 -0.231 6.730 751 HB2 ALA 91 2HB ALA 91 7.831 1.018 5.512 752 HB3 ALA 91 3HB ALA 91 9.146 1.148 6.677 753 H LYS 92 H LYS 92 11.627 0.349 6.377 754 HA LYS 92 HA LYS 92 12.016 -2.404 7.343 755 HB2 LYS 92 2HB LYS 92 14.438 -2.082 7.216 756 HB3 LYS 92 1HB LYS 92 13.681 -1.975 5.631 757 HG2 LYS 92 2HG LYS 92 13.712 0.518 5.821 758 HG3 LYS 92 1HG LYS 92 14.565 0.386 7.356 759 HD2 LYS 92 2HD LYS 92 16.415 -0.844 6.195 760 HD3 LYS 92 1HD LYS 92 15.538 -0.682 4.696 761 HE2 LYS 92 2HE LYS 92 17.208 1.031 4.787 762 HE3 LYS 92 1HE LYS 92 15.634 1.783 4.879 763 HZ1 LYS 92 3HZ LYS 92 17.356 2.576 6.506 764 HZ2 LYS 92 1HZ LYS 92 17.249 1.142 7.314 765 HZ3 LYS 92 2HZ LYS 92 15.920 2.202 7.272 766 H GLU 93 H GLU 93 12.370 -2.711 9.441 767 HA GLU 93 HA GLU 93 12.190 -0.458 11.269 768 HB2 GLU 93 2HB GLU 93 12.926 -3.336 11.869 769 HB3 GLU 93 1HB GLU 93 12.495 -2.118 13.039 770 HG2 GLU 93 2HG GLU 93 10.205 -1.918 12.002 771 HG3 GLU 93 1HG GLU 93 10.684 -3.178 10.874 772 H SER 94 H SER 94 13.899 0.827 11.456 773 HA SER 94 HA SER 94 16.449 0.162 10.576 774 HB2 SER 94 2HB SER 94 15.983 2.316 12.623 775 HB3 SER 94 1HB SER 94 17.081 2.279 11.262 776 HG SER 94 HG SER 94 15.260 2.458 9.838 777 H LYS 95 H LYS 95 15.833 1.032 13.976 778 HA LYS 95 HA LYS 95 17.205 -1.405 14.804 779 HB2 LYS 95 2HB LYS 95 18.548 1.115 14.812 780 HB3 LYS 95 1HB LYS 95 18.160 0.746 16.477 781 HG2 LYS 95 2HG LYS 95 20.272 -0.268 16.038 782 HG3 LYS 95 1HG LYS 95 19.111 -1.592 16.092 783 HD2 LYS 95 2HD LYS 95 19.332 -0.481 13.382 784 HD3 LYS 95 1HD LYS 95 20.888 -1.017 13.973 785 HE2 LYS 95 2HE LYS 95 18.365 -2.671 13.906 786 HE3 LYS 95 1HE LYS 95 19.783 -2.903 12.884 787 HZ1 LYS 95 3HZ LYS 95 20.472 -4.266 14.462 788 HZ2 LYS 95 1HZ LYS 95 19.306 -3.775 15.564 789 HZ3 LYS 95 2HZ LYS 95 20.765 -2.930 15.455 790 H GLN 96 H GLN 96 16.096 1.546 16.373 791 HA GLN 96 HA GLN 96 14.359 -0.141 18.087 792 HB2 GLN 96 2HB GLN 96 15.636 2.461 18.928 793 HB3 GLN 96 1HB GLN 96 14.869 1.251 19.925 794 HG2 GLN 96 2HG GLN 96 16.879 0.318 20.257 795 HG3 GLN 96 1HG GLN 96 16.839 -0.230 18.582 796 HE21 GLN 96 1HE2 GLN 96 19.289 0.056 18.871 797 HE22 GLN 96 2HE2 GLN 96 19.935 1.590 18.557 798 H ASN 97 H ASN 97 14.503 2.415 15.855 799 HA ASN 97 HA ASN 97 12.455 4.081 16.805 800 HB2 ASN 97 2HB ASN 97 13.963 4.718 14.892 801 HB3 ASN 97 1HB ASN 97 13.087 3.549 13.914 802 HD21 ASN 97 1HD2 ASN 97 12.183 5.166 12.477 803 HD22 ASN 97 2HD2 ASN 97 10.983 6.230 13.007 804 H TYR 98 H TYR 98 10.381 4.081 16.693 805 HA TYR 98 HA TYR 98 8.900 1.692 16.560 806 HB2 TYR 98 2HB TYR 98 7.864 4.515 16.281 807 HB3 TYR 98 1HB TYR 98 6.981 3.104 16.845 808 HD1 TYR 98 1HD TYR 98 9.602 5.534 17.693 809 HD2 TYR 98 2HD TYR 98 7.386 2.107 19.045 810 HE1 TYR 98 1HE TYR 98 10.415 5.905 19.996 811 HE2 TYR 98 2HE TYR 98 8.186 2.466 21.325 812 HH TYR 98 HH TYR 98 9.893 3.567 22.526 813 H GLN 99 H GLN 99 9.298 4.336 14.262 814 HA GLN 99 HA GLN 99 7.568 3.021 12.340 815 HB2 GLN 99 2HB GLN 99 9.135 5.494 11.687 816 HB3 GLN 99 1HB GLN 99 7.548 5.022 11.127 817 HG2 GLN 99 2HG GLN 99 8.259 6.002 13.927 818 HG3 GLN 99 1HG GLN 99 7.332 6.851 12.711 819 HE21 GLN 99 1HE2 GLN 99 5.693 4.592 11.826 820 HE22 GLN 99 2HE2 GLN 99 4.669 4.213 13.136 821 HA PRO 100 HA PRO 100 11.243 1.202 10.430 822 HB2 PRO 100 2HB PRO 100 10.015 -0.089 8.439 823 HB3 PRO 100 1HB PRO 100 9.909 -0.685 10.101 824 HG2 PRO 100 2HG PRO 100 7.922 0.952 8.591 825 HG3 PRO 100 1HG PRO 100 7.670 -0.497 9.608 826 HD2 PRO 100 2HD PRO 100 7.216 1.999 10.506 827 HD3 PRO 100 1HD PRO 100 7.792 0.705 11.593 828 H ASP 101 H ASP 101 12.395 1.839 8.578 829 HA ASP 101 HA ASP 101 11.602 4.329 7.371 830 HB2 ASP 101 2HB ASP 101 13.771 2.501 6.349 831 HB3 ASP 101 1HB ASP 101 13.662 4.245 6.142 832 H PHE 102 H PHE 102 10.544 4.605 5.422 833 HA PHE 102 HA PHE 102 9.445 2.285 4.124 834 HB2 PHE 102 2HB PHE 102 9.386 5.175 3.163 835 HB3 PHE 102 1HB PHE 102 8.424 3.844 2.573 836 HD1 PHE 102 1HD PHE 102 6.719 2.764 4.005 837 HD2 PHE 102 2HD PHE 102 8.849 6.279 5.263 838 HE1 PHE 102 1HE PHE 102 5.013 3.172 5.752 839 HE2 PHE 102 2HE PHE 102 7.146 6.686 7.014 840 HZ PHE 102 HZ PHE 102 5.227 5.145 7.266 841 H ILE 103 H ILE 103 10.280 1.201 2.429 842 HA ILE 103 HA ILE 103 12.662 2.347 1.097 843 HB ILE 103 HB ILE 103 11.720 -0.543 1.048 844 HG12 ILE 103 2HG1 ILE 103 14.078 0.616 2.597 845 HG13 ILE 103 1HG1 ILE 103 12.520 0.307 3.346 846 HG21 ILE 103 1HG2 ILE 103 13.076 -0.196 -0.859 847 HG22 ILE 103 2HG2 ILE 103 14.238 -0.749 0.318 848 HG23 ILE 103 3HG2 ILE 103 14.131 0.957 -0.051 849 HD11 ILE 103 3HD1 ILE 103 14.341 -1.557 3.434 850 HD12 ILE 103 1HD1 ILE 103 13.854 -1.887 1.776 851 HD13 ILE 103 2HD1 ILE 103 12.684 -1.997 3.112 852 H ASN 104 H ASN 104 9.706 0.468 0.495 853 HA ASN 104 HA ASN 104 9.423 1.825 -2.128 854 HB2 ASN 104 2HB ASN 104 10.405 -0.442 -2.428 855 HB3 ASN 104 1HB ASN 104 8.987 -1.122 -1.651 856 HD21 ASN 104 1HD2 ASN 104 9.261 -2.045 -4.072 857 HD22 ASN 104 2HD2 ASN 104 8.239 -1.324 -5.223 858 H MET 105 H MET 105 7.308 1.997 -2.852 859 HA MET 105 HA MET 105 5.144 0.824 -1.597 860 HB2 MET 105 2HB MET 105 4.512 2.151 0.090 861 HB3 MET 105 1HB MET 105 6.040 2.989 -0.067 862 HG2 MET 105 2HG MET 105 4.322 4.643 -0.134 863 HG3 MET 105 1HG MET 105 4.961 4.493 -1.761 864 HE1 MET 105 3HE MET 105 0.922 3.118 -0.094 865 HE2 MET 105 1HE MET 105 2.332 3.783 0.752 866 HE3 MET 105 2HE MET 105 2.324 2.115 0.228 867 H TYR 106 H TYR 106 3.616 0.672 -3.070 868 HA TYR 106 HA TYR 106 3.140 2.863 -4.901 869 HB2 TYR 106 2HB TYR 106 3.353 1.406 -6.921 870 HB3 TYR 106 1HB TYR 106 4.864 1.637 -6.059 871 HD1 TYR 106 2HD TYR 106 5.844 -0.157 -4.663 872 HD2 TYR 106 1HD TYR 106 2.266 -0.772 -6.990 873 HE1 TYR 106 2HE TYR 106 6.105 -2.593 -4.422 874 HE2 TYR 106 1HE TYR 106 2.524 -3.188 -6.756 875 HH TYR 106 HH TYR 106 4.891 -4.758 -6.251 876 H VAL 107 H VAL 107 1.271 2.537 -6.256 877 HA VAL 107 HA VAL 107 -0.770 0.930 -4.835 878 HB VAL 107 HB VAL 107 -0.950 3.636 -6.162 879 HG11 VAL 107 1HG1 VAL 107 -3.338 3.584 -5.361 880 HG12 VAL 107 2HG1 VAL 107 -3.154 1.847 -5.130 881 HG13 VAL 107 3HG1 VAL 107 -2.969 2.557 -6.734 882 HG21 VAL 107 3HG2 VAL 107 -0.095 3.939 -3.989 883 HG22 VAL 107 1HG2 VAL 107 -1.056 2.626 -3.321 884 HG23 VAL 107 2HG2 VAL 107 -1.838 4.138 -3.758 885 H ASP 108 H ASP 108 -1.870 -0.504 -5.986 886 HA ASP 108 HA ASP 108 -1.565 -0.554 -8.905 887 HB2 ASP 108 2HB ASP 108 -1.120 -2.670 -7.316 888 HB3 ASP 108 1HB ASP 108 -2.852 -2.645 -7.252 889 H VAL 109 H VAL 109 -3.170 0.616 -9.808 890 HA VAL 109 HA VAL 109 -5.872 0.369 -8.696 891 HB VAL 109 HB VAL 109 -4.821 2.445 -10.637 892 HG11 VAL 109 1HG1 VAL 109 -7.376 2.463 -8.984 893 HG12 VAL 109 2HG1 VAL 109 -7.315 1.953 -10.666 894 HG13 VAL 109 3HG1 VAL 109 -6.900 3.607 -10.232 895 HG21 VAL 109 3HG2 VAL 109 -3.804 3.271 -8.773 896 HG22 VAL 109 1HG2 VAL 109 -4.721 2.229 -7.689 897 HG23 VAL 109 2HG2 VAL 109 -5.426 3.730 -8.244 898 HA PRO 110 HA PRO 110 -6.609 -2.397 -12.164 899 HB2 PRO 110 2HB PRO 110 -9.435 -1.644 -11.594 900 HB3 PRO 110 1HB PRO 110 -8.690 -3.248 -11.783 901 HG2 PRO 110 2HG PRO 110 -9.342 -2.388 -9.408 902 HG3 PRO 110 1HG PRO 110 -7.801 -3.232 -9.630 903 HD2 PRO 110 2HD PRO 110 -8.275 -0.306 -9.250 904 HD3 PRO 110 1HD PRO 110 -6.939 -1.341 -8.684 905 H GLY 111 H GLY 111 -6.838 -2.032 -14.321 906 HA2 GLY 111 2HA GLY 111 -7.307 -1.019 -16.344 907 HA3 GLY 111 1HA GLY 111 -8.535 -0.077 -15.509 908 H GLU 112 H GLU 112 -6.801 1.176 -13.584 909 HA GLU 112 HA GLU 112 -5.633 3.200 -15.313 910 HB2 GLU 112 2HB GLU 112 -5.966 3.151 -12.296 911 HB3 GLU 112 1HB GLU 112 -5.388 4.503 -13.277 912 HG2 GLU 112 2HG GLU 112 -8.123 3.237 -13.564 913 HG3 GLU 112 1HG GLU 112 -7.761 4.734 -12.716 914 H LYS 113 H LYS 113 -3.486 4.169 -14.559 915 HA LYS 113 HA LYS 113 -1.554 2.070 -14.728 916 HB2 LYS 113 2HB LYS 113 -0.878 4.916 -14.042 917 HB3 LYS 113 1HB LYS 113 0.105 3.698 -14.856 918 HG2 LYS 113 2HG LYS 113 -2.239 5.285 -15.928 919 HG3 LYS 113 1HG LYS 113 -0.612 5.167 -16.561 920 HD2 LYS 113 2HD LYS 113 -1.113 2.649 -16.813 921 HD3 LYS 113 1HD LYS 113 -2.811 3.115 -16.756 922 HE2 LYS 113 2HE LYS 113 -0.719 3.888 -18.784 923 HE3 LYS 113 1HE LYS 113 -2.316 3.171 -19.056 924 HZ1 LYS 113 3HZ LYS 113 -3.342 5.194 -18.920 925 HZ2 LYS 113 1HZ LYS 113 -1.857 5.741 -19.415 926 HZ3 LYS 113 2HZ LYS 113 -2.280 5.850 -17.793 927 H ARG 114 H ARG 114 -0.133 1.385 -13.271 928 HA ARG 114 HA ARG 114 -0.697 1.472 -10.490 929 HB2 ARG 114 2HB ARG 114 1.478 0.339 -10.274 930 HB3 ARG 114 1HB ARG 114 0.456 -0.425 -11.486 931 HG2 ARG 114 2HG ARG 114 1.697 1.087 -13.227 932 HG3 ARG 114 1HG ARG 114 2.854 1.367 -11.917 933 HD2 ARG 114 2HD ARG 114 3.126 -1.132 -11.721 934 HD3 ARG 114 1HD ARG 114 2.000 -1.221 -13.079 935 HE ARG 114 HE ARG 114 4.213 0.420 -13.755 936 HH11 ARG 114 1HH2 ARG 114 3.177 -2.869 -13.267 937 HH12 ARG 114 2HH2 ARG 114 4.268 -3.568 -14.378 938 HH21 ARG 114 1HH1 ARG 114 5.743 -0.521 -15.300 939 HH22 ARG 114 2HH1 ARG 114 5.772 -2.201 -15.521 940 H TYR 115 H TYR 115 0.183 2.768 -8.928 941 HA TYR 115 HA TYR 115 1.930 4.990 -9.864 942 HB2 TYR 115 2HB TYR 115 -0.331 5.670 -9.122 943 HB3 TYR 115 1HB TYR 115 -0.022 4.966 -7.546 944 HD1 TYR 115 1HD TYR 115 1.158 7.569 -9.963 945 HD2 TYR 115 2HD TYR 115 1.212 6.190 -5.887 946 HE1 TYR 115 1HE TYR 115 2.216 9.675 -9.261 947 HE2 TYR 115 2HE TYR 115 2.269 8.321 -5.188 948 HH TYR 115 HH TYR 115 3.803 10.151 -6.533 949 H TYR 116 H TYR 116 3.920 5.088 -9.034 950 HA TYR 116 HA TYR 116 4.514 3.512 -6.612 951 HB2 TYR 116 2HB TYR 116 6.181 4.541 -8.878 952 HB3 TYR 116 1HB TYR 116 6.908 4.326 -7.293 953 HD1 TYR 116 1HD TYR 116 4.909 2.530 -9.893 954 HD2 TYR 116 2HD TYR 116 7.561 2.187 -6.531 955 HE1 TYR 116 1HE TYR 116 5.107 0.131 -10.296 956 HE2 TYR 116 2HE TYR 116 7.760 -0.223 -6.926 957 HH TYR 116 HH TYR 116 6.499 -2.002 -7.994 958 H LEU 117 H LEU 117 3.804 4.745 -4.997 959 HA LEU 117 HA LEU 117 4.237 7.539 -4.843 960 HB2 LEU 117 2HB LEU 117 2.451 6.478 -3.555 961 HB3 LEU 117 1HB LEU 117 3.636 5.520 -2.682 962 HG LEU 117 HG LEU 117 4.641 7.654 -1.785 963 HD11 LEU 117 1HD1 LEU 117 3.544 9.752 -2.116 964 HD12 LEU 117 2HD1 LEU 117 2.255 9.027 -3.034 965 HD13 LEU 117 3HD1 LEU 117 3.880 9.108 -3.712 966 HD21 LEU 117 3HD2 LEU 117 2.477 6.335 -0.858 967 HD22 LEU 117 1HD2 LEU 117 1.743 7.924 -1.127 968 HD23 LEU 117 2HD2 LEU 117 3.148 7.768 -0.075 969 H ILE 118 H ILE 118 5.905 4.726 -3.517 970 HA ILE 118 HA ILE 118 8.254 6.452 -3.040 971 HB ILE 118 HB ILE 118 7.343 4.124 -1.338 972 HG12 ILE 118 2HG1 ILE 118 7.542 7.107 -0.662 973 HG13 ILE 118 1HG1 ILE 118 6.053 6.251 -0.994 974 HG21 ILE 118 1HG2 ILE 118 9.798 4.253 -1.500 975 HG22 ILE 118 2HG2 ILE 118 9.249 4.717 0.113 976 HG23 ILE 118 3HG2 ILE 118 9.737 5.956 -1.038 977 HD11 ILE 118 3HD1 ILE 118 6.887 4.622 0.906 978 HD12 ILE 118 1HD1 ILE 118 6.097 6.150 1.310 979 HD13 ILE 118 2HD1 ILE 118 7.847 6.027 1.373 980 H LYS 119 H LYS 119 10.013 5.807 -4.111 981 HA LYS 119 HA LYS 119 9.980 3.158 -5.372 982 HB2 LYS 119 2HB LYS 119 12.261 4.925 -6.026 983 HB3 LYS 119 1HB LYS 119 11.203 4.017 -7.091 984 HG2 LYS 119 2HG LYS 119 10.511 6.659 -5.751 985 HG3 LYS 119 1HG LYS 119 10.974 6.439 -7.415 986 HD2 LYS 119 2HD LYS 119 8.941 4.633 -7.348 987 HD3 LYS 119 1HD LYS 119 8.391 5.727 -6.095 988 HE2 LYS 119 2HE LYS 119 7.616 6.231 -8.493 989 HE3 LYS 119 1HE LYS 119 8.251 7.585 -7.579 990 HZ1 LYS 119 3HZ LYS 119 10.011 5.956 -9.335 991 HZ2 LYS 119 1HZ LYS 119 10.228 7.537 -8.739 992 HZ3 LYS 119 2HZ LYS 119 9.070 7.255 -9.918 993 HA PRO 120 HA PRO 120 12.892 1.650 -2.332 994 HB2 PRO 120 2HB PRO 120 13.826 -0.431 -3.753 995 HB3 PRO 120 1HB PRO 120 12.293 -0.513 -2.857 996 HG2 PRO 120 2HG PRO 120 12.767 -0.218 -5.777 997 HG3 PRO 120 1HG PRO 120 11.419 -0.960 -4.926 998 HD2 PRO 120 2HD PRO 120 11.250 1.493 -6.100 999 HD3 PRO 120 1HD PRO 120 10.234 1.034 -4.741 1000 H LYS 121 H LYS 121 15.191 0.440 -2.775 1001 HA LYS 121 HA LYS 121 16.969 2.580 -3.379 1002 HB2 LYS 121 2HB LYS 121 17.767 -0.324 -3.216 1003 HB3 LYS 121 1HB LYS 121 18.680 1.103 -2.729 1004 HG2 LYS 121 2HG LYS 121 16.238 -0.063 -1.367 1005 HG3 LYS 121 1HG LYS 121 17.871 -0.018 -0.736 1006 HD2 LYS 121 2HD LYS 121 17.647 2.584 -1.038 1007 HD3 LYS 121 1HD LYS 121 15.936 2.242 -1.106 1008 HE2 LYS 121 2HE LYS 121 15.861 1.293 1.077 1009 HE3 LYS 121 1HE LYS 121 17.605 1.185 1.180 1010 HZ1 LYS 121 3HZ LYS 121 17.743 3.293 1.900 1011 HZ2 LYS 121 1HZ LYS 121 16.079 3.269 2.128 1012 HZ3 LYS 121 2HZ LYS 121 16.708 3.883 0.709 1013 H LEU 122 H LEU 122 15.458 2.380 -5.587 1014 HA LEU 122 HA LEU 122 16.238 0.546 -7.507 1015 HB2 LEU 122 2HB LEU 122 15.078 3.315 -7.878 1016 HB3 LEU 122 1HB LEU 122 15.292 2.173 -9.188 1017 HG LEU 122 HG LEU 122 13.661 1.633 -6.688 1018 HD11 LEU 122 1HD1 LEU 122 11.699 2.008 -8.021 1019 HD12 LEU 122 2HD1 LEU 122 12.641 2.036 -9.499 1020 HD13 LEU 122 3HD1 LEU 122 12.775 3.369 -8.349 1021 HD21 LEU 122 3HD2 LEU 122 14.241 0.031 -9.204 1022 HD22 LEU 122 1HD2 LEU 122 12.813 -0.277 -8.223 1023 HD23 LEU 122 2HD2 LEU 122 14.418 -0.472 -7.530 1024 H HIS 123 H HIS 123 17.469 3.753 -6.787 1025 HA HIS 123 HA HIS 123 19.837 3.236 -8.426 1026 HB2 HIS 123 2HB HIS 123 17.735 5.276 -8.948 1027 HB3 HIS 123 1HB HIS 123 19.397 5.829 -9.024 1028 HD1 HIS 123 1HD HIS 123 18.297 2.357 -10.063 1029 HD2 HIS 123 2HD HIS 123 19.688 5.891 -11.821 1030 HE1 HIS 123 1HE HIS 123 18.736 1.860 -12.513 1031 HE2 HIS 123 2HE HIS 123 19.621 3.978 -13.561 1032 HA PRO 124 HA PRO 124 21.834 5.290 -4.954 1033 HB2 PRO 124 2HB PRO 124 23.734 6.312 -7.003 1034 HB3 PRO 124 1HB PRO 124 24.034 5.388 -5.514 1035 HG2 PRO 124 2HG PRO 124 24.244 4.228 -7.869 1036 HG3 PRO 124 1HG PRO 124 23.563 3.360 -6.488 1037 HD2 PRO 124 2HD PRO 124 22.138 4.553 -8.834 1038 HD3 PRO 124 1HD PRO 124 21.788 3.066 -7.923 1039 H VAL 125 H VAL 125 21.891 7.394 -4.131 1040 HA VAL 125 HA VAL 125 20.109 9.276 -5.094 1041 HB VAL 125 HB VAL 125 22.536 9.968 -3.440 1042 HG11 VAL 125 1HG1 VAL 125 20.681 11.434 -2.347 1043 HG12 VAL 125 2HG1 VAL 125 19.779 11.169 -3.836 1044 HG13 VAL 125 3HG1 VAL 125 21.361 11.954 -3.880 1045 HG21 VAL 125 3HG2 VAL 125 20.876 9.429 -1.518 1046 HG22 VAL 125 1HG2 VAL 125 21.648 8.068 -2.326 1047 HG23 VAL 125 2HG2 VAL 125 19.990 8.493 -2.722 1048 H SER 126 H SER 126 20.369 11.328 -6.103 1049 HA SER 126 HA SER 126 21.099 12.732 -7.755 1050 HB2 SER 126 2HB SER 126 23.885 11.692 -7.388 1051 HB3 SER 126 1HB SER 126 23.350 13.322 -7.839 1052 HG SER 126 HG SER 126 23.532 12.039 -5.351 1053 H ASN 127 H ASN 127 20.190 10.132 -8.319 1054 HA ASN 127 HA ASN 127 21.821 9.075 -10.451 1055 HB2 ASN 127 2HB ASN 127 19.757 7.593 -10.798 1056 HB3 ASN 127 1HB ASN 127 20.724 7.460 -9.312 1057 HD21 ASN 127 1HD2 ASN 127 19.744 8.077 -7.328 1058 HD22 ASN 127 2HD2 ASN 127 18.102 8.495 -7.177 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.071 -6.939 14.870 2 HA2 GLY 1 2HA GLY 1 -2.338 -6.361 14.610 3 HA3 GLY 1 1HA GLY 1 -2.484 -6.667 16.334 4 H ALA 2 H ALA 2 -3.327 -4.473 16.419 5 HA ALA 2 HA ALA 2 -1.825 -2.187 15.808 6 HB1 ALA 2 1HB ALA 2 -4.303 -2.307 16.518 7 HB2 ALA 2 2HB ALA 2 -3.359 -0.960 17.140 8 HB3 ALA 2 3HB ALA 2 -3.698 -2.342 18.173 9 H MET 3 H MET 3 -1.588 -4.514 18.257 10 HA MET 3 HA MET 3 -0.188 -3.154 20.306 11 HB2 MET 3 2HB MET 3 0.045 -6.029 19.353 12 HB3 MET 3 1HB MET 3 0.618 -5.398 20.893 13 HG2 MET 3 2HG MET 3 -1.606 -4.823 21.596 14 HG3 MET 3 1HG MET 3 -2.293 -5.210 20.033 15 HE1 MET 3 3HE MET 3 -2.394 -7.113 18.950 16 HE2 MET 3 1HE MET 3 -2.720 -8.693 19.677 17 HE3 MET 3 2HE MET 3 -1.092 -8.261 19.188 18 H GLY 4 H GLY 4 0.878 -4.861 17.388 19 HA2 GLY 4 2HA GLY 4 3.662 -4.161 17.654 20 HA3 GLY 4 1HA GLY 4 2.868 -4.777 16.196 21 H SER 5 H SER 5 0.790 -2.930 16.102 22 HA SER 5 HA SER 5 0.200 -1.014 15.143 23 HB2 SER 5 2HB SER 5 2.152 0.833 16.189 24 HB3 SER 5 1HB SER 5 0.450 0.692 16.526 25 HG SER 5 HG SER 5 0.986 -1.067 17.961 26 H GLY 6 H GLY 6 3.169 -2.325 14.414 27 HA2 GLY 6 2HA GLY 6 4.476 -0.369 12.931 28 HA3 GLY 6 1HA GLY 6 4.587 -2.098 12.605 29 H ASP 7 H ASP 7 2.625 -2.993 11.447 30 HA ASP 7 HA ASP 7 2.242 -1.615 9.000 31 HB2 ASP 7 2HB ASP 7 0.245 -3.311 8.810 32 HB3 ASP 7 1HB ASP 7 1.897 -3.860 8.641 33 H THR 8 H THR 8 0.412 -1.736 11.959 34 HA THR 8 HA THR 8 -1.973 -0.536 11.060 35 HB THR 8 HB THR 8 -0.642 -0.012 13.702 36 HG1 THR 8 1HG THR 8 -2.056 -2.297 12.786 37 HG21 THR 8 3HG2 THR 8 -3.116 0.745 12.679 38 HG22 THR 8 1HG2 THR 8 -2.624 0.749 14.364 39 HG23 THR 8 2HG2 THR 8 -3.496 -0.635 13.713 40 H GLN 9 H GLN 9 1.008 0.889 12.447 41 HA GLN 9 HA GLN 9 0.197 3.548 12.028 42 HB2 GLN 9 2HB GLN 9 2.829 2.236 12.627 43 HB3 GLN 9 1HB GLN 9 2.788 3.944 12.216 44 HG2 GLN 9 2HG GLN 9 1.037 2.734 14.378 45 HG3 GLN 9 1HG GLN 9 2.632 3.429 14.667 46 HE21 GLN 9 1HE2 GLN 9 1.201 5.098 12.100 47 HE22 GLN 9 2HE2 GLN 9 0.568 6.408 12.944 48 H LEU 10 H LEU 10 2.246 1.296 10.241 49 HA LEU 10 HA LEU 10 2.995 3.123 8.250 50 HB2 LEU 10 2HB LEU 10 2.832 0.122 8.108 51 HB3 LEU 10 1HB LEU 10 3.600 1.140 6.895 52 HG LEU 10 HG LEU 10 4.407 0.949 9.823 53 HD11 LEU 10 1HD1 LEU 10 6.367 0.406 7.796 54 HD12 LEU 10 2HD1 LEU 10 5.026 -0.740 7.769 55 HD13 LEU 10 3HD1 LEU 10 5.969 -0.486 9.263 56 HD21 LEU 10 3HD2 LEU 10 5.352 2.952 9.575 57 HD22 LEU 10 1HD2 LEU 10 4.896 3.064 7.880 58 HD23 LEU 10 2HD2 LEU 10 6.404 2.281 8.341 59 H PHE 11 H PHE 11 0.264 0.911 8.515 60 HA PHE 11 HA PHE 11 -0.833 1.271 5.947 61 HB2 PHE 11 2HB PHE 11 -1.710 -0.442 7.329 62 HB3 PHE 11 1HB PHE 11 -2.063 0.671 8.638 63 HD1 PHE 11 1HD PHE 11 -3.058 -0.256 5.138 64 HD2 PHE 11 2HD PHE 11 -4.060 1.949 8.702 65 HE1 PHE 11 1HE PHE 11 -5.295 0.200 4.234 66 HE2 PHE 11 2HE PHE 11 -6.309 2.401 7.783 67 HZ PHE 11 HZ PHE 11 -6.932 1.532 5.554 68 H ASN 12 H ASN 12 -1.389 3.021 8.985 69 HA ASN 12 HA ASN 12 -3.263 4.884 7.969 70 HB2 ASN 12 2HB ASN 12 -1.272 5.121 10.231 71 HB3 ASN 12 1HB ASN 12 -2.526 6.306 9.895 72 HD21 ASN 12 1HD2 ASN 12 -2.170 4.342 12.202 73 HD22 ASN 12 2HD2 ASN 12 -3.653 3.534 12.303 74 H ARG 13 H ARG 13 0.220 4.946 8.308 75 HA ARG 13 HA ARG 13 0.646 7.507 7.169 76 HB2 ARG 13 2HB ARG 13 2.399 5.077 7.526 77 HB3 ARG 13 1HB ARG 13 2.971 6.588 6.825 78 HG2 ARG 13 2HG ARG 13 2.405 7.834 8.898 79 HG3 ARG 13 1HG ARG 13 1.631 6.390 9.512 80 HD2 ARG 13 2HD ARG 13 3.536 5.334 10.040 81 HD3 ARG 13 1HD ARG 13 4.489 6.014 8.737 82 HE ARG 13 HE ARG 13 5.273 7.471 10.286 83 HH11 ARG 13 1HH2 ARG 13 1.959 6.768 11.162 84 HH12 ARG 13 2HH2 ARG 13 2.060 7.572 12.666 85 HH21 ARG 13 1HH1 ARG 13 5.377 8.535 12.253 86 HH22 ARG 13 2HH1 ARG 13 4.045 8.578 13.321 87 H ALA 14 H ALA 14 0.632 4.212 5.829 88 HA ALA 14 HA ALA 14 1.348 5.003 3.204 89 HB1 ALA 14 1HB ALA 14 0.698 2.749 2.529 90 HB2 ALA 14 2HB ALA 14 -0.157 2.528 4.051 91 HB3 ALA 14 3HB ALA 14 1.598 2.679 4.045 92 H VAL 15 H VAL 15 -1.824 4.128 4.595 93 HA VAL 15 HA VAL 15 -3.243 4.518 2.244 94 HB VAL 15 HB VAL 15 -3.902 3.380 4.510 95 HG11 VAL 15 1HG1 VAL 15 -5.209 6.079 4.906 96 HG12 VAL 15 2HG1 VAL 15 -3.803 5.500 5.809 97 HG13 VAL 15 3HG1 VAL 15 -5.330 4.649 5.930 98 HG21 VAL 15 3HG2 VAL 15 -5.383 3.050 2.740 99 HG22 VAL 15 1HG2 VAL 15 -5.678 4.770 2.523 100 HG23 VAL 15 2HG2 VAL 15 -6.396 3.912 3.881 101 H SER 16 H SER 16 -2.486 6.808 4.871 102 HA SER 16 HA SER 16 -4.129 8.901 3.974 103 HB2 SER 16 2HB SER 16 -2.491 10.351 5.237 104 HB3 SER 16 1HB SER 16 -3.204 9.063 6.154 105 HG SER 16 HG SER 16 -1.357 7.958 6.121 106 H MET 17 H MET 17 -0.762 8.079 3.301 107 HA MET 17 HA MET 17 -0.330 10.336 1.643 108 HB2 MET 17 2HB MET 17 1.193 7.713 1.733 109 HB3 MET 17 1HB MET 17 1.713 9.180 0.888 110 HG2 MET 17 2HG MET 17 1.391 10.366 3.206 111 HG3 MET 17 1HG MET 17 1.302 8.820 3.845 112 HE1 MET 17 3HE MET 17 3.207 6.794 2.560 113 HE2 MET 17 1HE MET 17 3.066 7.128 4.292 114 HE3 MET 17 2HE MET 17 4.638 7.037 3.534 115 H VAL 18 H VAL 18 -1.280 7.000 0.856 116 HA VAL 18 HA VAL 18 -1.233 7.547 -1.944 117 HB VAL 18 HB VAL 18 -2.335 5.378 -2.234 118 HG11 VAL 18 1HG1 VAL 18 0.143 5.610 -2.008 119 HG12 VAL 18 2HG1 VAL 18 -0.454 4.057 -1.438 120 HG13 VAL 18 3HG1 VAL 18 -0.022 5.319 -0.272 121 HG21 VAL 18 3HG2 VAL 18 -2.297 4.031 0.087 122 HG22 VAL 18 1HG2 VAL 18 -3.720 4.929 -0.440 123 HG23 VAL 18 2HG2 VAL 18 -2.613 5.648 0.720 124 H GLU 19 H GLU 19 -3.940 7.410 0.401 125 HA GLU 19 HA GLU 19 -5.974 7.620 -1.524 126 HB2 GLU 19 2HB GLU 19 -5.920 8.688 1.318 127 HB3 GLU 19 1HB GLU 19 -7.326 8.621 0.254 128 HG2 GLU 19 2HG GLU 19 -7.207 6.172 0.195 129 HG3 GLU 19 1HG GLU 19 -5.757 6.220 1.179 130 H LYS 20 H LYS 20 -3.962 9.958 0.066 131 HA LYS 20 HA LYS 20 -5.480 12.174 -1.060 132 HB2 LYS 20 2HB LYS 20 -3.148 12.263 0.850 133 HB3 LYS 20 1HB LYS 20 -4.315 13.548 0.515 134 HG2 LYS 20 2HG LYS 20 -5.051 10.839 1.707 135 HG3 LYS 20 1HG LYS 20 -4.840 12.311 2.627 136 HD2 LYS 20 2HD LYS 20 -6.929 13.014 2.146 137 HD3 LYS 20 1HD LYS 20 -6.678 12.841 0.425 138 HE2 LYS 20 2HE LYS 20 -8.531 11.380 1.193 139 HE3 LYS 20 1HE LYS 20 -7.193 10.466 0.544 140 HZ1 LYS 20 3HZ LYS 20 -6.468 10.462 3.115 141 HZ2 LYS 20 1HZ LYS 20 -7.559 9.308 2.547 142 HZ3 LYS 20 2HZ LYS 20 -8.108 10.673 3.328 143 H ASN 21 H ASN 21 -2.904 10.376 -2.086 144 HA ASN 21 HA ASN 21 -1.315 12.465 -3.271 145 HB2 ASN 21 2HB ASN 21 -0.350 10.257 -2.909 146 HB3 ASN 21 1HB ASN 21 -1.536 9.526 -3.981 147 HD21 ASN 21 1HD2 ASN 21 1.593 10.748 -3.913 148 HD22 ASN 21 2HD2 ASN 21 1.809 11.050 -5.561 149 H LYS 22 H LYS 22 -1.870 13.685 -4.892 150 HA LYS 22 HA LYS 22 -4.358 13.637 -6.040 151 HB2 LYS 22 2HB LYS 22 -3.745 15.452 -7.366 152 HB3 LYS 22 1HB LYS 22 -2.683 15.597 -5.983 153 HG2 LYS 22 2HG LYS 22 -1.854 14.246 -8.612 154 HG3 LYS 22 1HG LYS 22 -1.605 15.931 -8.257 155 HD2 LYS 22 2HD LYS 22 -0.572 13.817 -6.355 156 HD3 LYS 22 1HD LYS 22 0.357 14.351 -7.739 157 HE2 LYS 22 2HE LYS 22 -0.728 16.222 -5.614 158 HE3 LYS 22 1HE LYS 22 0.923 15.620 -5.676 159 HZ1 LYS 22 3HZ LYS 22 0.381 16.654 -8.214 160 HZ2 LYS 22 1HZ LYS 22 1.365 17.311 -7.005 161 HZ3 LYS 22 2HZ LYS 22 -0.259 17.751 -7.087 162 H ASP 23 H ASP 23 -1.396 12.307 -7.508 163 HA ASP 23 HA ASP 23 -2.682 11.582 -9.941 164 HB2 ASP 23 2HB ASP 23 -0.129 11.632 -9.465 165 HB3 ASP 23 1HB ASP 23 -0.385 10.037 -8.776 166 H ILE 24 H ILE 24 -2.038 9.859 -6.940 167 HA ILE 24 HA ILE 24 -3.277 7.454 -7.764 168 HB ILE 24 HB ILE 24 -2.813 8.549 -4.981 169 HG12 ILE 24 2HG1 ILE 24 -1.464 6.277 -6.470 170 HG13 ILE 24 1HG1 ILE 24 -0.819 7.912 -6.497 171 HG21 ILE 24 1HG2 ILE 24 -4.041 6.007 -5.996 172 HG22 ILE 24 2HG2 ILE 24 -4.526 7.034 -4.634 173 HG23 ILE 24 3HG2 ILE 24 -3.120 5.989 -4.484 174 HD11 ILE 24 3HD1 ILE 24 -0.192 7.838 -4.261 175 HD12 ILE 24 1HD1 ILE 24 -0.023 6.131 -4.687 176 HD13 ILE 24 2HD1 ILE 24 -1.471 6.685 -3.857 177 H ARG 25 H ARG 25 -4.483 10.319 -6.079 178 HA ARG 25 HA ARG 25 -7.133 9.416 -5.774 179 HB2 ARG 25 2HB ARG 25 -5.890 12.097 -6.031 180 HB3 ARG 25 1HB ARG 25 -7.634 11.974 -6.054 181 HG2 ARG 25 2HG ARG 25 -7.516 10.695 -3.880 182 HG3 ARG 25 1HG ARG 25 -5.769 10.896 -3.891 183 HD2 ARG 25 2HD ARG 25 -7.672 13.235 -3.973 184 HD3 ARG 25 1HD ARG 25 -7.112 12.548 -2.478 185 HE ARG 25 HE ARG 25 -4.760 13.000 -3.431 186 HH11 ARG 25 1HH2 ARG 25 -7.565 14.940 -4.204 187 HH12 ARG 25 2HH2 ARG 25 -6.656 16.377 -4.396 188 HH21 ARG 25 1HH1 ARG 25 -3.601 14.877 -3.621 189 HH22 ARG 25 2HH1 ARG 25 -4.347 16.365 -4.039 190 H SER 26 H SER 26 -5.473 10.964 -8.419 191 HA SER 26 HA SER 26 -7.704 11.179 -10.159 192 HB2 SER 26 2HB SER 26 -4.799 10.764 -10.735 193 HB3 SER 26 1HB SER 26 -5.971 11.331 -11.934 194 HG SER 26 HG SER 26 -5.098 12.546 -9.475 195 H LEU 27 H LEU 27 -5.290 8.627 -9.589 196 HA LEU 27 HA LEU 27 -6.348 6.699 -11.435 197 HB2 LEU 27 2HB LEU 27 -4.778 6.316 -8.868 198 HB3 LEU 27 1HB LEU 27 -5.159 5.043 -10.020 199 HG LEU 27 HG LEU 27 -3.618 7.545 -10.738 200 HD11 LEU 27 1HD1 LEU 27 -2.705 5.395 -9.201 201 HD12 LEU 27 2HD1 LEU 27 -1.754 6.627 -10.015 202 HD13 LEU 27 3HD1 LEU 27 -2.084 5.097 -10.831 203 HD21 LEU 27 3HD2 LEU 27 -3.141 5.267 -12.446 204 HD22 LEU 27 1HD2 LEU 27 -3.827 6.820 -12.884 205 HD23 LEU 27 2HD2 LEU 27 -4.873 5.503 -12.348 206 H LEU 28 H LEU 28 -6.915 7.418 -8.051 207 HA LEU 28 HA LEU 28 -8.792 5.281 -7.670 208 HB2 LEU 28 2HB LEU 28 -8.165 7.709 -5.978 209 HB3 LEU 28 1HB LEU 28 -9.247 6.452 -5.450 210 HG LEU 28 HG LEU 28 -6.323 6.051 -6.176 211 HD11 LEU 28 1HD1 LEU 28 -7.730 6.103 -3.488 212 HD12 LEU 28 2HD1 LEU 28 -6.607 7.319 -4.082 213 HD13 LEU 28 3HD1 LEU 28 -6.042 5.684 -3.743 214 HD21 LEU 28 3HD2 LEU 28 -7.551 3.987 -6.594 215 HD22 LEU 28 1HD2 LEU 28 -8.451 4.171 -5.086 216 HD23 LEU 28 2HD2 LEU 28 -6.730 3.818 -5.048 217 H GLN 29 H GLN 29 -9.012 8.048 -9.399 218 HA GLN 29 HA GLN 29 -10.730 9.345 -10.183 219 HB2 GLN 29 2HB GLN 29 -12.388 6.963 -9.280 220 HB3 GLN 29 1HB GLN 29 -12.937 8.258 -10.341 221 HG2 GLN 29 2HG GLN 29 -10.572 6.455 -10.962 222 HG3 GLN 29 1HG GLN 29 -12.191 6.218 -11.599 223 HE21 GLN 29 1HE2 GLN 29 -9.271 7.571 -12.434 224 HE22 GLN 29 2HE2 GLN 29 -9.832 8.740 -13.515 225 H CYS 30 H CYS 30 -9.801 9.919 -7.660 226 HA CYS 30 HA CYS 30 -11.707 10.029 -5.619 227 HB2 CYS 30 2HB CYS 30 -9.178 10.490 -5.527 228 HB3 CYS 30 1HB CYS 30 -9.619 12.156 -5.913 229 HG CYS 30 HG CYS 30 -10.168 12.400 -3.509 230 H ASP 31 H ASP 31 -13.424 10.564 -7.319 231 HA ASP 31 HA ASP 31 -13.961 13.077 -8.342 232 HB2 ASP 31 2HB ASP 31 -15.430 11.343 -8.953 233 HB3 ASP 31 1HB ASP 31 -15.775 10.906 -7.283 234 H ASP 32 H ASP 32 -15.947 12.072 -5.677 235 HA ASP 32 HA ASP 32 -16.822 13.198 -3.941 236 HB2 ASP 32 2HB ASP 32 -13.917 13.936 -3.754 237 HB3 ASP 32 1HB ASP 32 -15.057 14.710 -2.667 238 H GLY 33 H GLY 33 -17.236 14.313 -6.477 239 HA2 GLY 33 2HA GLY 33 -18.028 16.983 -5.699 240 HA3 GLY 33 1HA GLY 33 -16.754 16.909 -6.902 241 H ILE 34 H ILE 34 -17.245 15.465 -8.832 242 HA ILE 34 HA ILE 34 -19.609 16.432 -10.071 243 HB ILE 34 HB ILE 34 -17.830 16.143 -11.516 244 HG12 ILE 34 2HG1 ILE 34 -19.422 13.664 -12.090 245 HG13 ILE 34 1HG1 ILE 34 -20.179 15.230 -12.294 246 HG21 ILE 34 1HG2 ILE 34 -16.815 13.835 -11.908 247 HG22 ILE 34 2HG2 ILE 34 -17.562 13.349 -10.389 248 HG23 ILE 34 3HG2 ILE 34 -16.361 14.646 -10.416 249 HD11 ILE 34 3HD1 ILE 34 -17.692 14.161 -13.614 250 HD12 ILE 34 1HD1 ILE 34 -18.264 15.823 -13.804 251 HD13 ILE 34 2HD1 ILE 34 -19.250 14.456 -14.389 252 H THR 35 H THR 35 -18.870 13.217 -8.806 253 HA THR 35 HA THR 35 -21.600 12.486 -9.616 254 HB THR 35 HB THR 35 -20.975 10.383 -9.744 255 HG1 THR 35 1HG THR 35 -18.791 11.104 -8.013 256 HG21 THR 35 3HG2 THR 35 -18.194 11.374 -10.214 257 HG22 THR 35 1HG2 THR 35 -19.544 12.005 -11.163 258 HG23 THR 35 2HG2 THR 35 -19.184 10.283 -11.182 259 H GLY 36 H GLY 36 -20.059 13.610 -6.930 260 HA2 GLY 36 2HA GLY 36 -21.535 14.026 -4.969 261 HA3 GLY 36 1HA GLY 36 -22.050 12.346 -5.168 262 H LYS 37 H LYS 37 -20.866 13.285 -2.724 263 HA LYS 37 HA LYS 37 -18.090 12.451 -2.886 264 HB2 LYS 37 2HB LYS 37 -19.825 13.604 -0.720 265 HB3 LYS 37 1HB LYS 37 -18.282 12.847 -0.329 266 HG2 LYS 37 2HG LYS 37 -17.702 15.109 -0.644 267 HG3 LYS 37 1HG LYS 37 -17.273 14.386 -2.180 268 HD2 LYS 37 2HD LYS 37 -18.497 16.195 -2.944 269 HD3 LYS 37 1HD LYS 37 -19.799 15.036 -2.830 270 HE2 LYS 37 2HE LYS 37 -20.575 16.996 -1.743 271 HE3 LYS 37 1HE LYS 37 -20.205 15.858 -0.467 272 HZ1 LYS 37 3HZ LYS 37 -17.846 17.291 -1.006 273 HZ2 LYS 37 1HZ LYS 37 -18.812 17.331 0.373 274 HZ3 LYS 37 2HZ LYS 37 -19.092 18.409 -0.905 275 H GLU 38 H GLU 38 -17.496 10.546 -2.866 276 HA GLU 38 HA GLU 38 -18.991 8.428 -1.502 277 HB2 GLU 38 2HB GLU 38 -16.751 8.398 -3.489 278 HB3 GLU 38 1HB GLU 38 -17.277 6.916 -2.664 279 HG2 GLU 38 2HG GLU 38 -19.548 7.328 -3.504 280 HG3 GLU 38 1HG GLU 38 -18.966 8.782 -4.307 281 H ARG 39 H ARG 39 -17.862 7.034 -0.077 282 HA ARG 39 HA ARG 39 -15.653 8.432 1.337 283 HB2 ARG 39 2HB ARG 39 -17.910 6.759 2.333 284 HB3 ARG 39 1HB ARG 39 -16.346 6.539 3.100 285 HG2 ARG 39 2HG ARG 39 -17.822 8.326 4.149 286 HG3 ARG 39 1HG ARG 39 -16.184 8.823 3.752 287 HD2 ARG 39 2HD ARG 39 -16.962 9.811 1.653 288 HD3 ARG 39 1HD ARG 39 -18.627 9.356 1.980 289 HE ARG 39 HE ARG 39 -17.090 11.537 3.113 290 HH11 ARG 39 1HH2 ARG 39 -19.839 9.429 3.530 291 HH12 ARG 39 2HH2 ARG 39 -20.698 10.506 4.528 292 HH21 ARG 39 1HH1 ARG 39 -18.205 12.975 4.401 293 HH22 ARG 39 2HH1 ARG 39 -19.751 12.604 5.044 294 H LEU 40 H LEU 40 -13.736 7.646 1.487 295 HA LEU 40 HA LEU 40 -12.908 5.497 -0.226 296 HB2 LEU 40 2HB LEU 40 -11.421 6.995 1.950 297 HB3 LEU 40 1HB LEU 40 -10.686 5.957 0.746 298 HG LEU 40 HG LEU 40 -12.459 8.179 -0.234 299 HD11 LEU 40 1HD1 LEU 40 -11.146 9.430 1.283 300 HD12 LEU 40 2HD1 LEU 40 -10.352 9.632 -0.280 301 HD13 LEU 40 3HD1 LEU 40 -9.686 8.511 0.912 302 HD21 LEU 40 3HD2 LEU 40 -11.083 8.022 -2.189 303 HD22 LEU 40 1HD2 LEU 40 -11.203 6.339 -1.656 304 HD23 LEU 40 2HD2 LEU 40 -9.771 7.293 -1.283 305 H LYS 41 H LYS 41 -12.235 3.440 0.293 306 HA LYS 41 HA LYS 41 -12.373 2.627 3.110 307 HB2 LYS 41 2HB LYS 41 -13.749 1.231 0.810 308 HB3 LYS 41 1HB LYS 41 -13.434 0.447 2.349 309 HG2 LYS 41 2HG LYS 41 -14.786 3.129 2.472 310 HG3 LYS 41 1HG LYS 41 -15.716 1.793 1.851 311 HD2 LYS 41 2HD LYS 41 -16.139 1.691 4.171 312 HD3 LYS 41 1HD LYS 41 -14.945 0.440 3.912 313 HE2 LYS 41 2HE LYS 41 -14.485 1.949 5.894 314 HE3 LYS 41 1HE LYS 41 -13.163 1.816 4.745 315 HZ1 LYS 41 3HZ LYS 41 -13.914 4.127 5.590 316 HZ2 LYS 41 1HZ LYS 41 -15.161 3.983 4.498 317 HZ3 LYS 41 2HZ LYS 41 -13.569 4.009 3.949 318 H ALA 42 H ALA 42 -10.896 1.141 3.746 319 HA ALA 42 HA ALA 42 -9.137 -0.013 1.699 320 HB1 ALA 42 1HB ALA 42 -7.971 1.991 2.289 321 HB2 ALA 42 2HB ALA 42 -7.151 0.651 3.092 322 HB3 ALA 42 3HB ALA 42 -8.240 1.702 4.007 323 H TYR 43 H TYR 43 -8.390 -1.997 2.151 324 HA TYR 43 HA TYR 43 -8.240 -3.016 4.823 325 HB2 TYR 43 2HB TYR 43 -9.685 -5.107 3.792 326 HB3 TYR 43 1HB TYR 43 -10.349 -3.871 4.849 327 HD1 TYR 43 1HD TYR 43 -9.716 -4.612 1.230 328 HD2 TYR 43 2HD TYR 43 -12.132 -2.513 4.099 329 HE1 TYR 43 1HE TYR 43 -11.266 -3.920 -0.563 330 HE2 TYR 43 2HE TYR 43 -13.674 -1.831 2.289 331 HH TYR 43 HH TYR 43 -13.587 -1.522 -0.262 332 H GLY 44 H GLY 44 -7.550 -5.476 4.641 333 HA2 GLY 44 2HA GLY 44 -5.035 -5.476 3.432 334 HA3 GLY 44 1HA GLY 44 -5.883 -6.887 3.936 335 H GLU 45 H GLU 45 -7.963 -7.151 2.404 336 HA GLU 45 HA GLU 45 -7.054 -7.128 -0.382 337 HB2 GLU 45 2HB GLU 45 -8.246 -9.473 1.037 338 HB3 GLU 45 1HB GLU 45 -8.202 -9.339 -0.723 339 HG2 GLU 45 2HG GLU 45 -5.723 -9.054 -0.577 340 HG3 GLU 45 1HG GLU 45 -5.827 -9.345 1.153 341 H LEU 46 H LEU 46 -8.501 -6.927 -1.926 342 HA LEU 46 HA LEU 46 -10.551 -5.250 -1.986 343 HB2 LEU 46 2HB LEU 46 -11.633 -7.174 -3.636 344 HB3 LEU 46 1HB LEU 46 -10.400 -6.018 -4.068 345 HG LEU 46 HG LEU 46 -8.596 -7.605 -3.568 346 HD11 LEU 46 1HD1 LEU 46 -10.614 -9.785 -3.041 347 HD12 LEU 46 2HD1 LEU 46 -10.028 -8.826 -1.684 348 HD13 LEU 46 3HD1 LEU 46 -8.910 -9.741 -2.682 349 HD21 LEU 46 3HD2 LEU 46 -10.454 -9.373 -5.045 350 HD22 LEU 46 1HD2 LEU 46 -8.840 -8.835 -5.465 351 HD23 LEU 46 2HD2 LEU 46 -10.217 -7.766 -5.732 352 H ILE 47 H ILE 47 -11.851 -8.458 -2.292 353 HA ILE 47 HA ILE 47 -14.060 -7.712 -0.549 354 HB ILE 47 HB ILE 47 -15.163 -9.680 -1.500 355 HG12 ILE 47 2HG1 ILE 47 -12.666 -10.008 -3.208 356 HG13 ILE 47 1HG1 ILE 47 -13.010 -11.030 -1.803 357 HG21 ILE 47 1HG2 ILE 47 -14.762 -8.847 -4.032 358 HG22 ILE 47 2HG2 ILE 47 -14.011 -7.499 -3.177 359 HG23 ILE 47 3HG2 ILE 47 -15.692 -7.936 -2.847 360 HD11 ILE 47 3HD1 ILE 47 -14.898 -10.676 -4.136 361 HD12 ILE 47 1HD1 ILE 47 -15.015 -11.843 -2.818 362 HD13 ILE 47 2HD1 ILE 47 -13.720 -11.978 -4.010 363 H THR 48 H THR 48 -11.215 -9.657 -0.423 364 HA THR 48 HA THR 48 -12.182 -11.707 1.122 365 HB THR 48 HB THR 48 -9.363 -10.897 1.643 366 HG1 THR 48 1HG THR 48 -8.736 -11.202 -0.332 367 HG21 THR 48 3HG2 THR 48 -9.196 -13.342 0.721 368 HG22 THR 48 1HG2 THR 48 -10.924 -13.394 1.050 369 HG23 THR 48 2HG2 THR 48 -9.775 -13.055 2.346 370 H ASN 49 H ASN 49 -9.946 -9.227 2.324 371 HA ASN 49 HA ASN 49 -11.052 -9.512 4.995 372 HB2 ASN 49 2HB ASN 49 -8.872 -9.563 5.303 373 HB3 ASN 49 1HB ASN 49 -8.446 -8.533 3.931 374 HD21 ASN 49 1HD2 ASN 49 -10.027 -8.268 7.237 375 HD22 ASN 49 2HD2 ASN 49 -9.419 -6.730 7.520 376 H ASP 50 H ASP 50 -12.241 -8.034 2.626 377 HA ASP 50 HA ASP 50 -12.834 -5.380 3.192 378 HB2 ASP 50 2HB ASP 50 -13.877 -6.379 1.318 379 HB3 ASP 50 1HB ASP 50 -14.523 -7.714 2.267 380 H LYS 51 H LYS 51 -13.800 -8.374 4.698 381 HA LYS 51 HA LYS 51 -15.504 -6.975 6.578 382 HB2 LYS 51 2HB LYS 51 -15.130 -9.936 6.104 383 HB3 LYS 51 1HB LYS 51 -16.342 -9.192 7.165 384 HG2 LYS 51 2HG LYS 51 -17.205 -7.847 5.304 385 HG3 LYS 51 1HG LYS 51 -16.040 -8.565 4.212 386 HD2 LYS 51 2HD LYS 51 -17.087 -10.807 4.688 387 HD3 LYS 51 1HD LYS 51 -18.350 -9.971 5.587 388 HE2 LYS 51 2HE LYS 51 -17.769 -9.880 2.636 389 HE3 LYS 51 1HE LYS 51 -19.310 -10.056 3.462 390 HZ1 LYS 51 3HZ LYS 51 -17.703 -7.551 3.162 391 HZ2 LYS 51 1HZ LYS 51 -18.982 -7.707 4.275 392 HZ3 LYS 51 2HZ LYS 51 -19.269 -7.892 2.618 393 H TRP 52 H TRP 52 -13.691 -9.876 7.636 394 HA TRP 52 HA TRP 52 -12.536 -8.047 9.632 395 HB2 TRP 52 2HB TRP 52 -13.375 -10.896 10.146 396 HB3 TRP 52 1HB TRP 52 -12.594 -9.839 11.314 397 HD1 TRP 52 HD TRP 52 -15.812 -11.069 10.919 398 HE1 TRP 52 1HE TRP 52 -17.666 -9.390 11.497 399 HE3 TRP 52 3HE TRP 52 -13.161 -6.664 10.741 400 HZ2 TRP 52 2HZ TRP 52 -18.000 -6.571 11.826 401 HZ3 TRP 52 3HZ TRP 52 -14.287 -4.530 11.176 402 HH2 TRP 52 HH TRP 52 -16.694 -4.469 11.716 403 H THR 53 H THR 53 -11.576 -11.406 9.346 404 HA THR 53 HA THR 53 -8.800 -10.415 9.018 405 HB THR 53 HB THR 53 -8.249 -12.643 10.149 406 HG1 THR 53 1HG THR 53 -9.852 -13.782 10.906 407 HG21 THR 53 3HG2 THR 53 -8.034 -10.644 11.422 408 HG22 THR 53 1HG2 THR 53 -8.997 -11.735 12.411 409 HG23 THR 53 2HG2 THR 53 -9.775 -10.424 11.527 410 H ARG 54 H ARG 54 -11.142 -11.742 7.293 411 HA ARG 54 HA ARG 54 -11.087 -13.856 6.177 412 HB2 ARG 54 2HB ARG 54 -11.573 -11.543 5.064 413 HB3 ARG 54 1HB ARG 54 -10.271 -12.021 3.988 414 HG2 ARG 54 2HG ARG 54 -12.163 -12.953 2.952 415 HG3 ARG 54 1HG ARG 54 -11.554 -14.316 3.885 416 HD2 ARG 54 2HD ARG 54 -13.463 -12.463 5.267 417 HD3 ARG 54 1HD ARG 54 -14.135 -13.513 4.031 418 HE ARG 54 HE ARG 54 -13.367 -14.277 6.641 419 HH11 ARG 54 1HH2 ARG 54 -13.153 -15.379 3.320 420 HH12 ARG 54 2HH2 ARG 54 -13.097 -17.040 3.746 421 HH21 ARG 54 1HH1 ARG 54 -13.282 -16.539 7.174 422 HH22 ARG 54 2HH1 ARG 54 -13.155 -17.686 5.910 423 H ASN 55 H ASN 55 -8.610 -12.356 4.156 424 HA ASN 55 HA ASN 55 -7.033 -14.834 4.491 425 HB2 ASN 55 2HB ASN 55 -7.957 -14.347 2.222 426 HB3 ASN 55 1HB ASN 55 -6.952 -12.900 2.149 427 HD21 ASN 55 1HD2 ASN 55 -6.878 -15.555 0.600 428 HD22 ASN 55 2HD2 ASN 55 -5.282 -16.090 0.765 429 H ARG 56 H ARG 56 -5.781 -11.905 3.022 430 HA ARG 56 HA ARG 56 -3.930 -11.674 5.296 431 HB2 ARG 56 2HB ARG 56 -2.625 -10.280 3.490 432 HB3 ARG 56 1HB ARG 56 -2.457 -12.034 3.557 433 HG2 ARG 56 2HG ARG 56 -4.408 -12.104 1.842 434 HG3 ARG 56 1HG ARG 56 -4.101 -10.379 1.645 435 HD2 ARG 56 2HD ARG 56 -2.763 -11.352 -0.034 436 HD3 ARG 56 1HD ARG 56 -1.638 -11.045 1.269 437 HE ARG 56 HE ARG 56 -1.313 -13.296 1.437 438 HH11 ARG 56 1HH2 ARG 56 -4.406 -12.680 -0.094 439 HH12 ARG 56 2HH2 ARG 56 -4.686 -14.313 -0.501 440 HH21 ARG 56 1HH1 ARG 56 -1.700 -15.520 0.853 441 HH22 ARG 56 2HH1 ARG 56 -3.136 -15.941 0.038 442 HA PRO 57 HA PRO 57 -6.235 -7.821 5.607 443 HB2 PRO 57 2HB PRO 57 -5.936 -7.563 8.285 444 HB3 PRO 57 1HB PRO 57 -7.249 -8.472 7.503 445 HG2 PRO 57 2HG PRO 57 -4.712 -9.507 8.706 446 HG3 PRO 57 1HG PRO 57 -6.349 -10.178 8.824 447 HD2 PRO 57 2HD PRO 57 -4.551 -11.213 7.128 448 HD3 PRO 57 1HD PRO 57 -6.272 -11.144 6.672 449 H ILE 58 H ILE 58 -5.511 -5.726 6.622 450 HA ILE 58 HA ILE 58 -3.048 -4.909 5.671 451 HB ILE 58 HB ILE 58 -4.658 -3.751 7.968 452 HG12 ILE 58 2HG1 ILE 58 -4.638 -2.886 5.069 453 HG13 ILE 58 1HG1 ILE 58 -5.811 -4.058 5.660 454 HG21 ILE 58 1HG2 ILE 58 -3.544 -1.698 7.546 455 HG22 ILE 58 2HG2 ILE 58 -2.696 -2.338 6.146 456 HG23 ILE 58 3HG2 ILE 58 -2.273 -2.892 7.769 457 HD11 ILE 58 3HD1 ILE 58 -6.692 -2.467 7.242 458 HD12 ILE 58 1HD1 ILE 58 -6.619 -1.663 5.675 459 HD13 ILE 58 2HD1 ILE 58 -5.398 -1.331 6.894 460 H VAL 59 H VAL 59 -1.456 -6.441 6.312 461 HA VAL 59 HA VAL 59 -0.374 -5.965 8.996 462 HB VAL 59 HB VAL 59 0.251 -8.354 9.169 463 HG11 VAL 59 1HG1 VAL 59 -2.733 -8.068 8.788 464 HG12 VAL 59 2HG1 VAL 59 -1.863 -7.360 10.157 465 HG13 VAL 59 3HG1 VAL 59 -1.887 -9.111 9.940 466 HG21 VAL 59 3HG2 VAL 59 -0.635 -8.409 6.437 467 HG22 VAL 59 1HG2 VAL 59 -1.710 -9.453 7.350 468 HG23 VAL 59 2HG2 VAL 59 0.024 -9.743 7.368 469 H SER 60 H SER 60 1.928 -6.541 9.123 470 HA SER 60 HA SER 60 3.234 -6.232 6.496 471 HB2 SER 60 2HB SER 60 5.133 -5.206 7.894 472 HB3 SER 60 1HB SER 60 3.696 -4.240 7.611 473 HG SER 60 HG SER 60 2.932 -5.015 9.684 474 H THR 61 H THR 61 4.242 -8.093 5.909 475 HA THR 61 HA THR 61 4.911 -10.145 7.801 476 HB THR 61 HB THR 61 6.019 -11.248 5.915 477 HG1 THR 61 1HG THR 61 6.668 -8.912 5.251 478 HG21 THR 61 3HG2 THR 61 3.479 -11.115 6.005 479 HG22 THR 61 1HG2 THR 61 4.164 -11.426 4.412 480 HG23 THR 61 2HG2 THR 61 3.584 -9.815 4.822 481 H LYS 62 H LYS 62 6.788 -10.416 8.919 482 HA LYS 62 HA LYS 62 8.748 -8.222 8.729 483 HB2 LYS 62 2HB LYS 62 8.389 -10.308 10.888 484 HB3 LYS 62 1HB LYS 62 9.412 -8.887 10.974 485 HG2 LYS 62 2HG LYS 62 6.405 -8.779 10.618 486 HG3 LYS 62 1HG LYS 62 7.212 -8.635 12.178 487 HD2 LYS 62 2HD LYS 62 8.434 -6.647 11.298 488 HD3 LYS 62 1HD LYS 62 7.498 -6.747 9.806 489 HE2 LYS 62 2HE LYS 62 6.282 -6.475 12.576 490 HE3 LYS 62 1HE LYS 62 6.482 -5.135 11.481 491 HZ1 LYS 62 3HZ LYS 62 4.621 -5.738 10.389 492 HZ2 LYS 62 1HZ LYS 62 4.370 -6.813 11.632 493 HZ3 LYS 62 2HZ LYS 62 5.084 -7.342 10.203 494 H LYS 63 H LYS 63 10.525 -8.666 7.549 495 HA LYS 63 HA LYS 63 11.738 -11.367 7.849 496 HB2 LYS 63 2HB LYS 63 12.052 -9.512 5.485 497 HB3 LYS 63 1HB LYS 63 12.800 -11.081 5.675 498 HG2 LYS 63 2HG LYS 63 10.333 -11.974 5.920 499 HG3 LYS 63 1HG LYS 63 9.880 -10.466 5.142 500 HD2 LYS 63 2HD LYS 63 11.605 -12.690 4.036 501 HD3 LYS 63 1HD LYS 63 10.117 -12.061 3.399 502 HE2 LYS 63 2HE LYS 63 11.270 -10.616 2.083 503 HE3 LYS 63 1HE LYS 63 11.917 -9.814 3.499 504 HZ1 LYS 63 3HZ LYS 63 13.381 -11.129 1.691 505 HZ2 LYS 63 1HZ LYS 63 13.239 -12.308 2.893 506 HZ3 LYS 63 2HZ LYS 63 13.865 -10.749 3.237 507 H LEU 64 H LEU 64 13.820 -11.364 8.526 508 HA LEU 64 HA LEU 64 15.045 -8.770 9.100 509 HB2 LEU 64 2HB LEU 64 15.044 -10.862 10.697 510 HB3 LEU 64 1HB LEU 64 16.339 -11.431 9.668 511 HG LEU 64 HG LEU 64 17.593 -10.283 11.213 512 HD11 LEU 64 1HD1 LEU 64 18.067 -9.220 9.043 513 HD12 LEU 64 2HD1 LEU 64 18.286 -8.153 10.415 514 HD13 LEU 64 3HD1 LEU 64 16.880 -7.951 9.404 515 HD21 LEU 64 3HD2 LEU 64 15.597 -8.022 11.450 516 HD22 LEU 64 1HD2 LEU 64 16.865 -8.492 12.574 517 HD23 LEU 64 2HD2 LEU 64 15.431 -9.497 12.406 518 H ASP 65 H ASP 65 15.391 -8.172 6.945 519 HA ASP 65 HA ASP 65 16.512 -9.983 5.138 520 HB2 ASP 65 2HB ASP 65 15.895 -7.069 4.918 521 HB3 ASP 65 1HB ASP 65 16.897 -7.828 3.734 522 H LYS 66 H LYS 66 18.274 -9.961 4.004 523 HA LYS 66 HA LYS 66 20.720 -10.273 4.623 524 HB2 LYS 66 2HB LYS 66 21.422 -8.884 2.559 525 HB3 LYS 66 1HB LYS 66 20.317 -10.245 2.353 526 HG2 LYS 66 2HG LYS 66 19.099 -7.525 2.849 527 HG3 LYS 66 1HG LYS 66 19.799 -7.838 1.279 528 HD2 LYS 66 2HD LYS 66 18.349 -9.746 0.923 529 HD3 LYS 66 1HD LYS 66 17.644 -9.666 2.508 530 HE2 LYS 66 2HE LYS 66 16.842 -7.309 1.943 531 HE3 LYS 66 1HE LYS 66 17.397 -7.598 0.313 532 HZ1 LYS 66 3HZ LYS 66 15.819 -9.817 1.001 533 HZ2 LYS 66 1HZ LYS 66 15.440 -8.533 -0.033 534 HZ3 LYS 66 2HZ LYS 66 15.043 -8.446 1.593 535 H GLU 67 H GLU 67 19.453 -6.945 4.566 536 HA GLU 67 HA GLU 67 21.930 -5.734 5.073 537 HB2 GLU 67 2HB GLU 67 19.115 -4.669 5.386 538 HB3 GLU 67 1HB GLU 67 20.563 -3.706 5.656 539 HG2 GLU 67 2HG GLU 67 21.366 -4.137 3.399 540 HG3 GLU 67 1HG GLU 67 20.009 -5.194 3.076 541 H GLY 68 H GLY 68 19.438 -6.920 7.188 542 HA2 GLY 68 2HA GLY 68 20.046 -7.658 9.427 543 HA3 GLY 68 1HA GLY 68 21.168 -6.307 9.526 544 H ARG 69 H ARG 69 18.278 -5.598 7.929 545 HA ARG 69 HA ARG 69 17.113 -4.389 10.344 546 HB2 ARG 69 2HB ARG 69 17.042 -3.107 7.599 547 HB3 ARG 69 1HB ARG 69 16.701 -2.316 9.120 548 HG2 ARG 69 2HG ARG 69 19.197 -3.212 9.676 549 HG3 ARG 69 1HG ARG 69 19.346 -3.053 7.931 550 HD2 ARG 69 2HD ARG 69 18.426 -0.889 9.825 551 HD3 ARG 69 1HD ARG 69 20.057 -1.110 9.208 552 HE ARG 69 HE ARG 69 18.933 -0.856 6.907 553 HH11 ARG 69 1HH2 ARG 69 17.963 0.759 9.832 554 HH12 ARG 69 2HH2 ARG 69 17.170 2.062 9.103 555 HH21 ARG 69 1HH1 ARG 69 18.018 0.957 5.838 556 HH22 ARG 69 2HH1 ARG 69 17.232 2.201 6.761 557 H THR 70 H THR 70 14.968 -4.827 10.610 558 HA THR 70 HA THR 70 13.933 -6.959 9.180 559 HB THR 70 HB THR 70 12.174 -5.067 10.705 560 HG1 THR 70 1HG THR 70 13.088 -5.648 12.478 561 HG21 THR 70 3HG2 THR 70 10.960 -7.095 11.264 562 HG22 THR 70 1HG2 THR 70 12.180 -8.081 10.460 563 HG23 THR 70 2HG2 THR 70 11.161 -6.997 9.521 564 H HIS 71 H HIS 71 12.848 -7.113 7.344 565 HA HIS 71 HA HIS 71 11.979 -4.730 5.874 566 HB2 HIS 71 2HB HIS 71 13.169 -6.906 4.966 567 HB3 HIS 71 1HB HIS 71 11.533 -7.536 4.957 568 HD1 HIS 71 1HD HIS 71 13.719 -6.289 2.659 569 HD2 HIS 71 2HD HIS 71 9.798 -5.080 3.550 570 HE1 HIS 71 1HE HIS 71 12.793 -5.045 0.609 571 HE2 HIS 71 2HE HIS 71 10.451 -4.366 1.133 572 H HIS 72 H HIS 72 9.951 -4.044 5.959 573 HA HIS 72 HA HIS 72 7.798 -5.788 6.993 574 HB2 HIS 72 2HB HIS 72 8.127 -2.792 6.732 575 HB3 HIS 72 1HB HIS 72 6.553 -3.524 6.925 576 HD1 HIS 72 1HD HIS 72 6.216 -2.459 9.253 577 HD2 HIS 72 2HD HIS 72 9.565 -4.949 9.049 578 HE1 HIS 72 1HE HIS 72 6.992 -2.815 11.620 579 HE2 HIS 72 2HE HIS 72 9.014 -4.336 11.535 580 H TYR 73 H TYR 73 6.644 -6.688 5.333 581 HA TYR 73 HA TYR 73 6.370 -5.154 2.804 582 HB2 TYR 73 2HB TYR 73 5.772 -8.077 3.321 583 HB3 TYR 73 1HB TYR 73 5.637 -7.250 1.798 584 HD1 TYR 73 1HD TYR 73 8.095 -8.358 4.367 585 HD2 TYR 73 2HD TYR 73 7.554 -6.777 0.397 586 HE1 TYR 73 1HE TYR 73 10.405 -8.770 3.911 587 HE2 TYR 73 2HE TYR 73 9.920 -7.189 -0.081 588 HH TYR 73 HH TYR 73 12.211 -7.692 2.203 589 H MET 74 H MET 74 4.482 -4.075 2.739 590 HA MET 74 HA MET 74 2.172 -5.288 4.107 591 HB2 MET 74 2HB MET 74 3.139 -3.414 5.415 592 HB3 MET 74 1HB MET 74 2.894 -2.356 4.022 593 HG2 MET 74 2HG MET 74 0.452 -2.797 4.117 594 HG3 MET 74 1HG MET 74 0.705 -3.872 5.482 595 HE1 MET 74 3HE MET 74 1.045 0.634 5.222 596 HE2 MET 74 1HE MET 74 1.176 -0.578 3.935 597 HE3 MET 74 2HE MET 74 2.566 -0.184 4.933 598 H ARG 75 H ARG 75 0.470 -5.536 2.814 599 HA ARG 75 HA ARG 75 0.139 -3.626 0.651 600 HB2 ARG 75 2HB ARG 75 -0.912 -5.534 -0.712 601 HB3 ARG 75 1HB ARG 75 0.841 -5.432 -0.671 602 HG2 ARG 75 2HG ARG 75 1.047 -7.269 0.822 603 HG3 ARG 75 1HG ARG 75 -0.626 -7.134 1.350 604 HD2 ARG 75 2HD ARG 75 -0.319 -9.057 -0.157 605 HD3 ARG 75 1HD ARG 75 -1.432 -7.880 -0.826 606 HE ARG 75 HE ARG 75 1.248 -7.403 -1.742 607 HH11 ARG 75 1HH2 ARG 75 -1.537 -9.496 -2.147 608 HH12 ARG 75 2HH2 ARG 75 -1.183 -9.909 -3.756 609 HH21 ARG 75 1HH1 ARG 75 1.737 -7.958 -3.921 610 HH22 ARG 75 2HH1 ARG 75 0.737 -9.006 -4.801 611 H PHE 76 H PHE 76 -1.964 -3.080 0.224 612 HA PHE 76 HA PHE 76 -4.048 -4.528 1.514 613 HB2 PHE 76 2HB PHE 76 -5.013 -2.580 2.717 614 HB3 PHE 76 1HB PHE 76 -3.493 -3.164 3.381 615 HD1 PHE 76 2HD PHE 76 -1.426 -1.825 3.134 616 HD2 PHE 76 1HD PHE 76 -5.176 -0.407 1.585 617 HE1 PHE 76 2HE PHE 76 -0.477 0.445 2.896 618 HE2 PHE 76 1HE PHE 76 -4.208 1.874 1.366 619 HZ PHE 76 HZ PHE 76 -1.873 2.292 2.019 620 H HIS 77 H HIS 77 -6.162 -3.882 0.917 621 HA HIS 77 HA HIS 77 -6.140 -2.772 -1.777 622 HB2 HIS 77 2HB HIS 77 -7.908 -4.785 -0.444 623 HB3 HIS 77 1HB HIS 77 -8.343 -4.015 -1.969 624 HD1 HIS 77 1HD HIS 77 -5.412 -6.011 -0.492 625 HD2 HIS 77 2HD HIS 77 -7.188 -5.192 -4.194 626 HE1 HIS 77 1HE HIS 77 -4.215 -7.438 -2.214 627 HE2 HIS 77 2HE HIS 77 -5.287 -6.959 -4.463 628 H VAL 78 H VAL 78 -7.573 -1.158 -2.325 629 HA VAL 78 HA VAL 78 -9.327 -0.156 -0.178 630 HB VAL 78 HB VAL 78 -8.602 2.052 -0.407 631 HG11 VAL 78 1HG1 VAL 78 -6.052 0.501 -0.862 632 HG12 VAL 78 2HG1 VAL 78 -6.914 0.547 0.682 633 HG13 VAL 78 3HG1 VAL 78 -6.238 2.030 -0.003 634 HG21 VAL 78 3HG2 VAL 78 -6.756 2.454 -2.345 635 HG22 VAL 78 1HG2 VAL 78 -8.481 2.648 -2.631 636 HG23 VAL 78 2HG2 VAL 78 -7.668 1.156 -3.109 637 H GLU 79 H GLU 79 -10.973 1.235 -0.916 638 HA GLU 79 HA GLU 79 -11.770 0.648 -3.679 639 HB2 GLU 79 2HB GLU 79 -13.421 1.088 -1.226 640 HB3 GLU 79 1HB GLU 79 -14.085 1.487 -2.812 641 HG2 GLU 79 2HG GLU 79 -13.670 -0.727 -3.610 642 HG3 GLU 79 1HG GLU 79 -12.876 -1.240 -2.147 643 H SER 80 H SER 80 -11.660 2.120 -5.049 644 HA SER 80 HA SER 80 -11.146 4.871 -4.279 645 HB2 SER 80 2HB SER 80 -11.503 4.220 -7.142 646 HB3 SER 80 1HB SER 80 -10.237 5.066 -6.285 647 HG SER 80 HG SER 80 -10.637 2.262 -6.329 648 H LYS 81 H LYS 81 -12.485 6.425 -5.897 649 HA LYS 81 HA LYS 81 -15.156 6.153 -4.950 650 HB2 LYS 81 2HB LYS 81 -14.366 7.853 -7.332 651 HB3 LYS 81 1HB LYS 81 -15.687 8.060 -6.213 652 HG2 LYS 81 2HG LYS 81 -12.756 8.340 -5.512 653 HG3 LYS 81 1HG LYS 81 -13.928 9.643 -5.669 654 HD2 LYS 81 2HD LYS 81 -15.024 7.767 -3.802 655 HD3 LYS 81 1HD LYS 81 -13.347 7.995 -3.370 656 HE2 LYS 81 2HE LYS 81 -13.926 10.589 -3.783 657 HE3 LYS 81 1HE LYS 81 -15.545 10.002 -3.418 658 HZ1 LYS 81 3HZ LYS 81 -13.407 9.235 -1.495 659 HZ2 LYS 81 1HZ LYS 81 -15.038 9.708 -1.255 660 HZ3 LYS 81 2HZ LYS 81 -13.932 10.846 -1.650 661 H LYS 82 H LYS 82 -13.560 5.328 -7.962 662 HA LYS 82 HA LYS 82 -16.104 4.104 -8.888 663 HB2 LYS 82 2HB LYS 82 -13.955 5.057 -10.773 664 HB3 LYS 82 1HB LYS 82 -15.663 4.746 -11.067 665 HG2 LYS 82 2HG LYS 82 -14.605 6.999 -9.316 666 HG3 LYS 82 1HG LYS 82 -15.180 7.182 -10.964 667 HD2 LYS 82 2HD LYS 82 -17.404 6.415 -10.331 668 HD3 LYS 82 1HD LYS 82 -16.915 6.108 -8.681 669 HE2 LYS 82 2HE LYS 82 -16.334 8.570 -8.469 670 HE3 LYS 82 1HE LYS 82 -17.021 8.810 -10.071 671 HZ1 LYS 82 3HZ LYS 82 -18.340 7.971 -7.579 672 HZ2 LYS 82 1HZ LYS 82 -19.088 7.641 -9.042 673 HZ3 LYS 82 2HZ LYS 82 -18.794 9.249 -8.578 674 H LYS 83 H LYS 83 -13.010 3.338 -7.846 675 HA LYS 83 HA LYS 83 -13.066 0.708 -9.197 676 HB2 LYS 83 2HB LYS 83 -10.631 2.521 -9.128 677 HB3 LYS 83 1HB LYS 83 -10.724 0.874 -9.751 678 HG2 LYS 83 2HG LYS 83 -12.385 3.180 -10.856 679 HG3 LYS 83 1HG LYS 83 -10.886 2.591 -11.563 680 HD2 LYS 83 2HD LYS 83 -11.795 0.496 -12.089 681 HD3 LYS 83 1HD LYS 83 -13.209 0.696 -11.075 682 HE2 LYS 83 2HE LYS 83 -12.917 2.800 -13.130 683 HE3 LYS 83 1HE LYS 83 -13.111 1.177 -13.771 684 HZ1 LYS 83 3HZ LYS 83 -14.864 1.940 -11.561 685 HZ2 LYS 83 1HZ LYS 83 -15.171 0.963 -12.916 686 HZ3 LYS 83 2HZ LYS 83 -15.156 2.634 -13.100 687 H ILE 84 H ILE 84 -11.517 -0.835 -8.301 688 HA ILE 84 HA ILE 84 -11.184 -0.478 -5.373 689 HB ILE 84 HB ILE 84 -11.280 -3.012 -7.045 690 HG12 ILE 84 2HG1 ILE 84 -13.395 -2.018 -5.117 691 HG13 ILE 84 1HG1 ILE 84 -13.464 -1.615 -6.836 692 HG21 ILE 84 1HG2 ILE 84 -10.065 -3.515 -5.066 693 HG22 ILE 84 2HG2 ILE 84 -11.722 -3.959 -4.680 694 HG23 ILE 84 3HG2 ILE 84 -11.066 -2.446 -4.080 695 HD11 ILE 84 3HD1 ILE 84 -13.240 -4.449 -5.804 696 HD12 ILE 84 1HD1 ILE 84 -13.569 -3.885 -7.448 697 HD13 ILE 84 2HD1 ILE 84 -14.772 -3.638 -6.177 698 H ALA 85 H ALA 85 -9.057 -0.209 -4.732 699 HA ALA 85 HA ALA 85 -6.969 -0.941 -6.707 700 HB1 ALA 85 1HB ALA 85 -7.542 1.581 -6.004 701 HB2 ALA 85 2HB ALA 85 -5.916 1.033 -6.426 702 HB3 ALA 85 3HB ALA 85 -6.375 1.187 -4.738 703 H LEU 86 H LEU 86 -4.909 -1.467 -5.987 704 HA LEU 86 HA LEU 86 -4.793 -2.658 -3.295 705 HB2 LEU 86 2HB LEU 86 -4.676 -4.468 -4.749 706 HB3 LEU 86 1HB LEU 86 -3.699 -3.635 -5.934 707 HG LEU 86 HG LEU 86 -1.792 -3.613 -4.289 708 HD11 LEU 86 1HD1 LEU 86 -3.875 -4.455 -2.479 709 HD12 LEU 86 2HD1 LEU 86 -2.219 -3.946 -2.170 710 HD13 LEU 86 3HD1 LEU 86 -2.557 -5.641 -2.510 711 HD21 LEU 86 3HD2 LEU 86 -1.857 -5.395 -5.925 712 HD22 LEU 86 1HD2 LEU 86 -3.018 -6.308 -4.964 713 HD23 LEU 86 2HD2 LEU 86 -1.372 -6.090 -4.378 714 H VAL 87 H VAL 87 -3.234 -1.961 -1.961 715 HA VAL 87 HA VAL 87 -1.142 -0.200 -3.093 716 HB VAL 87 HB VAL 87 -2.418 -0.115 -0.353 717 HG11 VAL 87 1HG1 VAL 87 -0.110 0.644 -0.261 718 HG12 VAL 87 2HG1 VAL 87 -1.161 2.050 -0.183 719 HG13 VAL 87 3HG1 VAL 87 -0.342 1.651 -1.692 720 HG21 VAL 87 3HG2 VAL 87 -2.913 1.403 -2.909 721 HG22 VAL 87 1HG2 VAL 87 -3.098 2.245 -1.369 722 HG23 VAL 87 2HG2 VAL 87 -4.065 0.817 -1.718 723 H HIS 88 H HIS 88 0.905 -0.772 -2.724 724 HA HIS 88 HA HIS 88 1.444 -2.863 -0.703 725 HB2 HIS 88 2HB HIS 88 1.592 -4.004 -2.797 726 HB3 HIS 88 1HB HIS 88 2.435 -2.647 -3.531 727 HD1 HIS 88 1HD HIS 88 4.318 -4.438 -4.203 728 HD2 HIS 88 2HD HIS 88 3.962 -3.726 -0.086 729 HE1 HIS 88 1HE HIS 88 6.405 -5.357 -3.116 730 HE2 HIS 88 2HE HIS 88 6.243 -4.931 -0.655 731 H LEU 89 H LEU 89 2.709 -2.144 0.817 732 HA LEU 89 HA LEU 89 4.737 -0.108 0.180 733 HB2 LEU 89 2HB LEU 89 2.849 0.843 1.487 734 HB3 LEU 89 1HB LEU 89 3.164 -0.345 2.748 735 HG LEU 89 HG LEU 89 5.506 1.294 1.853 736 HD11 LEU 89 1HD1 LEU 89 3.808 2.554 3.940 737 HD12 LEU 89 2HD1 LEU 89 3.288 2.764 2.273 738 HD13 LEU 89 3HD1 LEU 89 4.896 3.274 2.766 739 HD21 LEU 89 3HD2 LEU 89 5.005 -0.534 3.905 740 HD22 LEU 89 1HD2 LEU 89 4.884 1.022 4.719 741 HD23 LEU 89 2HD2 LEU 89 6.340 0.599 3.839 742 H GLU 90 H GLU 90 6.742 -0.489 0.845 743 HA GLU 90 HA GLU 90 7.151 -2.712 2.702 744 HB2 GLU 90 2HB GLU 90 8.898 -1.905 0.383 745 HB3 GLU 90 1HB GLU 90 9.468 -2.918 1.702 746 HG2 GLU 90 2HG GLU 90 7.772 -4.546 1.298 747 HG3 GLU 90 1HG GLU 90 6.997 -3.546 0.083 748 H ALA 91 H ALA 91 8.249 -2.301 4.450 749 HA ALA 91 HA ALA 91 9.747 0.200 4.645 750 HB1 ALA 91 1HB ALA 91 7.528 0.598 5.686 751 HB2 ALA 91 2HB ALA 91 8.838 0.666 6.859 752 HB3 ALA 91 3HB ALA 91 7.821 -0.768 6.765 753 H LYS 92 H LYS 92 11.308 0.147 6.448 754 HA LYS 92 HA LYS 92 11.750 -2.574 7.350 755 HB2 LYS 92 2HB LYS 92 14.253 -2.241 7.243 756 HB3 LYS 92 1HB LYS 92 13.424 -2.507 5.721 757 HG2 LYS 92 2HG LYS 92 13.477 -0.095 5.217 758 HG3 LYS 92 1HG LYS 92 14.153 0.224 6.816 759 HD2 LYS 92 2HD LYS 92 16.234 -0.753 6.311 760 HD3 LYS 92 1HD LYS 92 15.585 -1.674 4.975 761 HE2 LYS 92 2HE LYS 92 17.006 0.388 4.341 762 HE3 LYS 92 1HE LYS 92 15.466 0.136 3.570 763 HZ1 LYS 92 3HZ LYS 92 15.410 1.856 6.008 764 HZ2 LYS 92 1HZ LYS 92 14.552 1.946 4.554 765 HZ3 LYS 92 2HZ LYS 92 16.109 2.442 4.591 766 H GLU 93 H GLU 93 12.250 -2.903 9.356 767 HA GLU 93 HA GLU 93 12.077 -0.757 11.277 768 HB2 GLU 93 2HB GLU 93 13.099 -3.603 11.560 769 HB3 GLU 93 1HB GLU 93 12.757 -2.525 12.891 770 HG2 GLU 93 2HG GLU 93 10.358 -2.401 12.244 771 HG3 GLU 93 1HG GLU 93 10.718 -3.395 10.845 772 H SER 94 H SER 94 13.722 0.692 11.346 773 HA SER 94 HA SER 94 16.099 0.222 10.071 774 HB2 SER 94 2HB SER 94 15.037 2.425 11.692 775 HB3 SER 94 1HB SER 94 16.762 2.265 11.879 776 HG SER 94 HG SER 94 15.217 2.926 9.617 777 H LYS 95 H LYS 95 16.120 0.891 13.568 778 HA LYS 95 HA LYS 95 17.377 -1.645 14.015 779 HB2 LYS 95 2HB LYS 95 19.204 0.209 13.490 780 HB3 LYS 95 1HB LYS 95 18.950 0.634 15.172 781 HG2 LYS 95 2HG LYS 95 20.690 -0.973 15.176 782 HG3 LYS 95 1HG LYS 95 19.258 -1.836 15.723 783 HD2 LYS 95 2HD LYS 95 19.125 -2.172 12.947 784 HD3 LYS 95 1HD LYS 95 20.846 -2.218 13.245 785 HE2 LYS 95 2HE LYS 95 18.715 -4.062 14.258 786 HE3 LYS 95 1HE LYS 95 20.260 -4.451 13.517 787 HZ1 LYS 95 3HZ LYS 95 19.708 -3.719 16.325 788 HZ2 LYS 95 1HZ LYS 95 21.184 -3.262 15.667 789 HZ3 LYS 95 2HZ LYS 95 20.762 -4.864 15.692 790 H GLN 96 H GLN 96 17.086 1.419 15.818 791 HA GLN 96 HA GLN 96 15.476 -0.032 17.832 792 HB2 GLN 96 2HB GLN 96 17.065 2.406 18.546 793 HB3 GLN 96 1HB GLN 96 16.560 1.053 19.553 794 HG2 GLN 96 2HG GLN 96 18.816 0.585 19.308 795 HG3 GLN 96 1HG GLN 96 18.157 -0.349 17.981 796 HE21 GLN 96 1HE2 GLN 96 20.789 0.404 17.701 797 HE22 GLN 96 2HE2 GLN 96 20.940 1.663 16.579 798 H ASN 97 H ASN 97 15.050 1.898 15.367 799 HA ASN 97 HA ASN 97 13.821 4.207 16.506 800 HB2 ASN 97 2HB ASN 97 14.730 4.215 14.197 801 HB3 ASN 97 1HB ASN 97 13.394 3.161 13.713 802 HD21 ASN 97 1HD2 ASN 97 11.892 4.483 12.616 803 HD22 ASN 97 2HD2 ASN 97 11.378 5.982 13.213 804 H TYR 98 H TYR 98 11.664 4.842 16.449 805 HA TYR 98 HA TYR 98 9.808 2.963 17.444 806 HB2 TYR 98 2HB TYR 98 9.285 5.682 16.216 807 HB3 TYR 98 1HB TYR 98 8.183 4.765 17.216 808 HD1 TYR 98 1HD TYR 98 11.353 6.662 17.196 809 HD2 TYR 98 2HD TYR 98 8.499 4.544 19.620 810 HE1 TYR 98 1HE TYR 98 12.382 7.606 19.222 811 HE2 TYR 98 2HE TYR 98 9.523 5.484 21.653 812 HH TYR 98 HH TYR 98 11.161 6.722 22.463 813 H GLN 99 H GLN 99 10.048 4.574 14.252 814 HA GLN 99 HA GLN 99 8.270 2.473 13.185 815 HB2 GLN 99 2HB GLN 99 8.551 5.170 11.899 816 HB3 GLN 99 1HB GLN 99 7.257 4.005 11.705 817 HG2 GLN 99 2HG GLN 99 7.726 5.169 14.464 818 HG3 GLN 99 1HG GLN 99 6.929 6.135 13.247 819 HE21 GLN 99 1HE2 GLN 99 6.650 2.588 13.994 820 HE22 GLN 99 2HE2 GLN 99 4.981 2.646 14.179 821 HA PRO 100 HA PRO 100 11.492 1.177 10.466 822 HB2 PRO 100 2HB PRO 100 10.030 -0.093 8.614 823 HB3 PRO 100 1HB PRO 100 10.185 -0.730 10.266 824 HG2 PRO 100 2HG PRO 100 7.945 0.857 9.081 825 HG3 PRO 100 1HG PRO 100 7.894 -0.607 10.103 826 HD2 PRO 100 2HD PRO 100 7.477 1.870 11.080 827 HD3 PRO 100 1HD PRO 100 8.224 0.571 12.045 828 H ASP 101 H ASP 101 12.407 1.695 8.440 829 HA ASP 101 HA ASP 101 11.718 4.235 7.257 830 HB2 ASP 101 2HB ASP 101 13.402 2.115 5.961 831 HB3 ASP 101 1HB ASP 101 13.515 3.850 5.738 832 H PHE 102 H PHE 102 10.593 4.589 5.254 833 HA PHE 102 HA PHE 102 9.054 2.344 4.245 834 HB2 PHE 102 2HB PHE 102 9.199 5.253 3.330 835 HB3 PHE 102 1HB PHE 102 8.204 4.015 2.592 836 HD1 PHE 102 1HD PHE 102 6.618 2.699 4.109 837 HD2 PHE 102 2HD PHE 102 8.383 6.452 5.214 838 HE1 PHE 102 1HE PHE 102 4.838 3.042 5.788 839 HE2 PHE 102 2HE PHE 102 6.608 6.795 6.893 840 HZ PHE 102 HZ PHE 102 4.820 5.066 7.173 841 H ILE 103 H ILE 103 10.292 0.915 3.181 842 HA ILE 103 HA ILE 103 12.582 1.551 1.593 843 HB ILE 103 HB ILE 103 10.854 -0.931 1.737 844 HG12 ILE 103 2HG1 ILE 103 13.630 -0.400 2.830 845 HG13 ILE 103 1HG1 ILE 103 12.146 -0.256 3.793 846 HG21 ILE 103 1HG2 ILE 103 12.476 -2.069 0.465 847 HG22 ILE 103 2HG2 ILE 103 13.638 -0.762 0.583 848 HG23 ILE 103 3HG2 ILE 103 12.217 -0.588 -0.450 849 HD11 ILE 103 3HD1 ILE 103 11.861 -2.532 3.912 850 HD12 ILE 103 1HD1 ILE 103 13.592 -2.546 3.594 851 HD13 ILE 103 2HD1 ILE 103 12.469 -2.783 2.277 852 H ASN 104 H ASN 104 9.230 0.730 0.911 853 HA ASN 104 HA ASN 104 9.301 2.090 -1.652 854 HB2 ASN 104 2HB ASN 104 10.218 -0.164 -2.233 855 HB3 ASN 104 1HB ASN 104 8.854 -0.883 -1.432 856 HD21 ASN 104 1HD2 ASN 104 8.729 1.992 -3.607 857 HD22 ASN 104 2HD2 ASN 104 7.706 1.219 -4.716 858 H MET 105 H MET 105 7.149 2.288 -2.538 859 HA MET 105 HA MET 105 4.987 0.975 -1.421 860 HB2 MET 105 2HB MET 105 4.204 2.276 0.222 861 HB3 MET 105 1HB MET 105 5.749 3.108 0.209 862 HG2 MET 105 2HG MET 105 4.111 4.803 0.031 863 HG3 MET 105 1HG MET 105 4.773 4.613 -1.581 864 HE1 MET 105 3HE MET 105 2.167 2.328 0.440 865 HE2 MET 105 1HE MET 105 0.708 3.235 0.053 866 HE3 MET 105 2HE MET 105 2.019 4.021 0.906 867 H TYR 106 H TYR 106 3.442 0.836 -2.891 868 HA TYR 106 HA TYR 106 3.031 3.027 -4.748 869 HB2 TYR 106 2HB TYR 106 3.234 1.622 -6.752 870 HB3 TYR 106 1HB TYR 106 4.754 1.696 -5.867 871 HD1 TYR 106 2HD TYR 106 5.624 -0.246 -4.654 872 HD2 TYR 106 1HD TYR 106 1.905 -0.440 -6.816 873 HE1 TYR 106 2HE TYR 106 5.677 -2.686 -4.521 874 HE2 TYR 106 1HE TYR 106 1.950 -2.886 -6.677 875 HH TYR 106 HH TYR 106 3.102 -4.700 -6.003 876 H VAL 107 H VAL 107 1.172 2.733 -6.110 877 HA VAL 107 HA VAL 107 -0.927 1.149 -4.739 878 HB VAL 107 HB VAL 107 -1.021 3.820 -6.145 879 HG11 VAL 107 1HG1 VAL 107 -3.281 2.053 -5.183 880 HG12 VAL 107 2HG1 VAL 107 -3.026 2.725 -6.801 881 HG13 VAL 107 3HG1 VAL 107 -3.453 3.786 -5.468 882 HG21 VAL 107 3HG2 VAL 107 -1.450 2.895 -3.290 883 HG22 VAL 107 1HG2 VAL 107 -1.984 4.459 -3.895 884 HG23 VAL 107 2HG2 VAL 107 -0.263 4.055 -3.886 885 H ASP 108 H ASP 108 -1.912 -0.346 -5.901 886 HA ASP 108 HA ASP 108 -1.413 -0.467 -8.799 887 HB2 ASP 108 2HB ASP 108 -0.851 -2.422 -7.123 888 HB3 ASP 108 1HB ASP 108 -2.570 -2.637 -7.104 889 H VAL 109 H VAL 109 -3.031 0.633 -9.806 890 HA VAL 109 HA VAL 109 -5.786 0.259 -8.865 891 HB VAL 109 HB VAL 109 -4.659 2.319 -10.777 892 HG11 VAL 109 1HG1 VAL 109 -6.840 3.423 -10.506 893 HG12 VAL 109 2HG1 VAL 109 -7.400 2.131 -9.462 894 HG13 VAL 109 3HG1 VAL 109 -7.071 1.811 -11.167 895 HG21 VAL 109 3HG2 VAL 109 -4.773 2.157 -7.853 896 HG22 VAL 109 1HG2 VAL 109 -5.638 3.564 -8.463 897 HG23 VAL 109 2HG2 VAL 109 -3.946 3.332 -8.873 898 HA PRO 110 HA PRO 110 -6.102 -2.686 -12.266 899 HB2 PRO 110 2HB PRO 110 -9.014 -2.391 -11.826 900 HB3 PRO 110 1HB PRO 110 -8.010 -3.843 -11.767 901 HG2 PRO 110 2HG PRO 110 -8.979 -2.793 -9.561 902 HG3 PRO 110 1HG PRO 110 -7.330 -3.442 -9.560 903 HD2 PRO 110 2HD PRO 110 -8.230 -0.586 -9.722 904 HD3 PRO 110 1HD PRO 110 -6.895 -1.319 -8.787 905 H GLY 111 H GLY 111 -6.416 -2.384 -14.463 906 HA2 GLY 111 2HA GLY 111 -7.114 -1.455 -16.451 907 HA3 GLY 111 1HA GLY 111 -8.329 -0.533 -15.558 908 H GLU 112 H GLU 112 -5.585 0.059 -13.935 909 HA GLU 112 HA GLU 112 -4.722 2.317 -15.615 910 HB2 GLU 112 2HB GLU 112 -5.211 2.225 -12.633 911 HB3 GLU 112 1HB GLU 112 -4.403 3.564 -13.450 912 HG2 GLU 112 2HG GLU 112 -7.221 2.597 -14.060 913 HG3 GLU 112 1HG GLU 112 -6.831 3.964 -13.031 914 H LYS 113 H LYS 113 -2.534 3.124 -14.701 915 HA LYS 113 HA LYS 113 -0.822 0.802 -14.476 916 HB2 LYS 113 2HB LYS 113 -0.334 3.698 -15.034 917 HB3 LYS 113 1HB LYS 113 0.937 2.738 -14.255 918 HG2 LYS 113 2HG LYS 113 1.176 2.648 -16.675 919 HG3 LYS 113 1HG LYS 113 0.841 1.044 -16.028 920 HD2 LYS 113 2HD LYS 113 -1.597 1.410 -16.583 921 HD3 LYS 113 1HD LYS 113 -1.158 2.907 -17.384 922 HE2 LYS 113 2HE LYS 113 -0.615 0.082 -18.192 923 HE3 LYS 113 1HE LYS 113 -1.153 1.459 -19.137 924 HZ1 LYS 113 3HZ LYS 113 1.022 1.299 -19.823 925 HZ2 LYS 113 1HZ LYS 113 1.572 0.717 -18.351 926 HZ3 LYS 113 2HZ LYS 113 1.255 2.353 -18.510 927 H ARG 114 H ARG 114 0.563 0.447 -12.777 928 HA ARG 114 HA ARG 114 -0.344 0.957 -10.152 929 HB2 ARG 114 2HB ARG 114 1.729 -0.098 -9.477 930 HB3 ARG 114 1HB ARG 114 1.083 -0.975 -10.869 931 HG2 ARG 114 2HG ARG 114 2.547 0.520 -12.341 932 HG3 ARG 114 1HG ARG 114 3.313 1.079 -10.864 933 HD2 ARG 114 2HD ARG 114 3.863 -1.352 -10.334 934 HD3 ARG 114 1HD ARG 114 3.205 -1.678 -11.950 935 HE ARG 114 HE ARG 114 5.036 0.267 -12.439 936 HH11 ARG 114 1HH2 ARG 114 5.207 -2.832 -10.824 937 HH12 ARG 114 2HH2 ARG 114 6.830 -3.119 -11.283 938 HH21 ARG 114 1HH1 ARG 114 7.194 -0.121 -13.031 939 HH22 ARG 114 2HH1 ARG 114 7.981 -1.556 -12.562 940 H TYR 115 H TYR 115 0.288 2.592 -8.719 941 HA TYR 115 HA TYR 115 2.061 4.673 -9.873 942 HB2 TYR 115 2HB TYR 115 -0.246 5.394 -9.365 943 HB3 TYR 115 1HB TYR 115 0.035 5.042 -7.657 944 HD1 TYR 115 1HD TYR 115 0.986 7.202 -10.512 945 HD2 TYR 115 2HD TYR 115 1.523 6.440 -6.313 946 HE1 TYR 115 1HE TYR 115 2.115 9.368 -10.268 947 HE2 TYR 115 2HE TYR 115 2.658 8.626 -6.069 948 HH TYR 115 HH TYR 115 3.726 10.407 -8.752 949 H TYR 116 H TYR 116 3.996 4.893 -8.994 950 HA TYR 116 HA TYR 116 4.507 3.632 -6.400 951 HB2 TYR 116 2HB TYR 116 6.301 4.587 -8.607 952 HB3 TYR 116 1HB TYR 116 6.927 4.438 -6.969 953 HD1 TYR 116 1HD TYR 116 5.085 2.530 -9.611 954 HD2 TYR 116 2HD TYR 116 7.525 2.360 -6.086 955 HE1 TYR 116 1HE TYR 116 5.272 0.099 -9.867 956 HE2 TYR 116 2HE TYR 116 7.717 -0.112 -6.347 957 HH TYR 116 HH TYR 116 7.285 -1.864 -7.679 958 H LEU 117 H LEU 117 3.731 4.845 -4.882 959 HA LEU 117 HA LEU 117 3.883 7.676 -4.770 960 HB2 LEU 117 2HB LEU 117 2.246 6.422 -3.458 961 HB3 LEU 117 1HB LEU 117 3.528 5.621 -2.576 962 HG LEU 117 HG LEU 117 4.283 7.821 -1.684 963 HD11 LEU 117 1HD1 LEU 117 2.526 9.707 -2.017 964 HD12 LEU 117 2HD1 LEU 117 2.058 8.800 -3.450 965 HD13 LEU 117 3HD1 LEU 117 3.703 9.417 -3.296 966 HD21 LEU 117 3HD2 LEU 117 2.798 7.686 0.010 967 HD22 LEU 117 1HD2 LEU 117 2.087 6.349 -0.883 968 HD23 LEU 117 2HD2 LEU 117 1.404 7.959 -1.042 969 H ILE 118 H ILE 118 5.892 5.048 -3.543 970 HA ILE 118 HA ILE 118 8.000 7.040 -2.958 971 HB ILE 118 HB ILE 118 7.413 4.422 -1.551 972 HG12 ILE 118 2HG1 ILE 118 7.285 7.293 -0.523 973 HG13 ILE 118 1HG1 ILE 118 5.889 6.324 -0.975 974 HG21 ILE 118 1HG2 ILE 118 9.293 4.812 -0.170 975 HG22 ILE 118 2HG2 ILE 118 9.483 6.458 -0.718 976 HG23 ILE 118 3HG2 ILE 118 9.916 5.118 -1.788 977 HD11 ILE 118 3HD1 ILE 118 7.150 4.600 0.727 978 HD12 ILE 118 1HD1 ILE 118 5.887 5.737 1.223 979 HD13 ILE 118 2HD1 ILE 118 7.585 6.159 1.415 980 H LYS 119 H LYS 119 9.762 6.830 -4.152 981 HA LYS 119 HA LYS 119 10.119 4.499 -5.860 982 HB2 LYS 119 2HB LYS 119 12.004 6.848 -5.729 983 HB3 LYS 119 1HB LYS 119 11.698 5.771 -7.079 984 HG2 LYS 119 2HG LYS 119 9.695 7.790 -5.963 985 HG3 LYS 119 1HG LYS 119 10.659 7.981 -7.416 986 HD2 LYS 119 2HD LYS 119 9.470 5.504 -7.848 987 HD3 LYS 119 1HD LYS 119 8.192 6.411 -7.042 988 HE2 LYS 119 2HE LYS 119 9.648 7.137 -9.599 989 HE3 LYS 119 1HE LYS 119 7.935 6.818 -9.364 990 HZ1 LYS 119 3HZ LYS 119 7.855 9.070 -9.274 991 HZ2 LYS 119 1HZ LYS 119 9.440 9.261 -8.787 992 HZ3 LYS 119 2HZ LYS 119 8.249 8.866 -7.666 993 HA PRO 120 HA PRO 120 12.630 2.976 -2.471 994 HB2 PRO 120 2HB PRO 120 13.184 0.563 -3.360 995 HB3 PRO 120 1HB PRO 120 11.568 1.013 -2.786 996 HG2 PRO 120 2HG PRO 120 12.495 0.802 -5.622 997 HG3 PRO 120 1HG PRO 120 10.982 0.244 -4.905 998 HD2 PRO 120 2HD PRO 120 11.155 2.586 -6.278 999 HD3 PRO 120 1HD PRO 120 10.019 2.310 -4.927 1000 H LYS 121 H LYS 121 14.726 2.557 -2.089 1001 HA LYS 121 HA LYS 121 16.796 3.454 -3.916 1002 HB2 LYS 121 2HB LYS 121 18.134 2.151 -1.899 1003 HB3 LYS 121 1HB LYS 121 17.624 3.817 -1.844 1004 HG2 LYS 121 2HG LYS 121 16.985 2.530 0.142 1005 HG3 LYS 121 1HG LYS 121 15.567 3.255 -0.594 1006 HD2 LYS 121 2HD LYS 121 14.784 1.117 -0.265 1007 HD3 LYS 121 1HD LYS 121 15.550 0.745 -1.788 1008 HE2 LYS 121 2HE LYS 121 17.049 0.507 0.854 1009 HE3 LYS 121 1HE LYS 121 16.049 -0.783 0.217 1010 HZ1 LYS 121 1HZ LYS 121 18.670 -0.052 -0.564 1011 HZ2 LYS 121 2HZ LYS 121 17.620 0.003 -1.921 1012 HZ3 LYS 121 3HZ LYS 121 17.759 -1.383 -1.023 1013 H LEU 122 H LEU 122 15.907 1.792 -5.533 1014 HA LEU 122 HA LEU 122 16.047 -0.922 -5.014 1015 HB2 LEU 122 2HB LEU 122 16.350 0.516 -7.667 1016 HB3 LEU 122 1HB LEU 122 16.160 -1.224 -7.526 1017 HG LEU 122 HG LEU 122 14.211 0.791 -6.397 1018 HD11 LEU 122 1HD1 LEU 122 12.810 -0.467 -8.338 1019 HD12 LEU 122 2HD1 LEU 122 14.408 -0.453 -9.085 1020 HD13 LEU 122 3HD1 LEU 122 13.656 1.054 -8.563 1021 HD21 LEU 122 3HD2 LEU 122 12.785 -1.462 -6.525 1022 HD22 LEU 122 1HD2 LEU 122 13.816 -1.123 -5.144 1023 HD23 LEU 122 2HD2 LEU 122 14.384 -2.208 -6.408 1024 H HIS 123 H HIS 123 18.446 1.271 -6.266 1025 HA HIS 123 HA HIS 123 20.542 -0.431 -5.313 1026 HB2 HIS 123 2HB HIS 123 19.923 -0.343 -8.187 1027 HB3 HIS 123 1HB HIS 123 21.577 0.104 -7.836 1028 HD1 HIS 123 1HD HIS 123 19.437 -2.461 -6.001 1029 HD2 HIS 123 2HD HIS 123 22.928 -2.291 -8.296 1030 HE1 HIS 123 1HE HIS 123 20.478 -4.798 -5.944 1031 HE2 HIS 123 2HE HIS 123 22.607 -4.694 -7.331 1032 HA PRO 124 HA PRO 124 22.424 3.505 -4.564 1033 HB2 PRO 124 2HB PRO 124 24.985 2.214 -5.374 1034 HB3 PRO 124 1HB PRO 124 24.575 3.106 -3.892 1035 HG2 PRO 124 2HG PRO 124 24.760 0.485 -3.843 1036 HG3 PRO 124 1HG PRO 124 23.495 1.315 -2.920 1037 HD2 PRO 124 2HD PRO 124 23.239 -0.263 -5.443 1038 HD3 PRO 124 1HD PRO 124 22.104 -0.060 -4.090 1039 H VAL 125 H VAL 125 23.144 5.316 -5.795 1040 HA VAL 125 HA VAL 125 22.693 5.259 -8.577 1041 HB VAL 125 HB VAL 125 24.234 7.256 -6.901 1042 HG11 VAL 125 1HG1 VAL 125 23.599 8.806 -8.855 1043 HG12 VAL 125 2HG1 VAL 125 23.305 7.334 -9.774 1044 HG13 VAL 125 3HG1 VAL 125 24.914 7.670 -9.136 1045 HG21 VAL 125 3HG2 VAL 125 21.900 7.078 -6.191 1046 HG22 VAL 125 1HG2 VAL 125 21.355 7.152 -7.866 1047 HG23 VAL 125 2HG2 VAL 125 22.086 8.566 -7.117 1048 H SER 126 H SER 126 25.676 5.259 -6.676 1049 HA SER 126 HA SER 126 27.224 4.500 -9.072 1050 HB2 SER 126 2HB SER 126 28.241 5.152 -6.300 1051 HB3 SER 126 1HB SER 126 29.191 4.986 -7.767 1052 HG SER 126 HG SER 126 28.138 6.864 -8.579 1053 H ASN 127 H ASN 127 25.698 2.525 -8.742 1054 HA ASN 127 HA ASN 127 26.729 0.649 -6.746 1055 HB2 ASN 127 2HB ASN 127 24.859 -0.779 -7.297 1056 HB3 ASN 127 1HB ASN 127 24.275 0.848 -6.996 1057 HD21 ASN 127 1HD2 ASN 127 23.722 2.152 -8.964 1058 HD22 ASN 127 2HD2 ASN 127 23.280 1.365 -10.411 Start of MODEL 7 1 H1 GLY 1 H GLY 1 4.610 1.025 25.969 2 HA2 GLY 1 2HA GLY 1 2.487 1.783 25.506 3 HA3 GLY 1 1HA GLY 1 3.177 2.710 24.177 4 H ALA 2 H ALA 2 1.414 2.175 22.865 5 HA ALA 2 HA ALA 2 0.767 -0.557 22.205 6 HB1 ALA 2 1HB ALA 2 0.076 2.004 20.743 7 HB2 ALA 2 2HB ALA 2 -0.939 1.217 21.956 8 HB3 ALA 2 3HB ALA 2 -0.617 0.418 20.412 9 H MET 3 H MET 3 3.111 -0.909 21.972 10 HA MET 3 HA MET 3 4.676 0.087 19.871 11 HB2 MET 3 2HB MET 3 4.814 -2.424 21.521 12 HB3 MET 3 1HB MET 3 6.033 -2.022 20.309 13 HG2 MET 3 2HG MET 3 6.582 0.040 21.419 14 HG3 MET 3 1HG MET 3 5.222 -0.103 22.521 15 HE1 MET 3 3HE MET 3 5.876 -1.690 25.233 16 HE2 MET 3 1HE MET 3 5.577 -3.135 24.244 17 HE3 MET 3 2HE MET 3 4.747 -1.619 23.912 18 H GLY 4 H GLY 4 2.589 -2.740 20.013 19 HA2 GLY 4 2HA GLY 4 3.272 -3.770 17.430 20 HA3 GLY 4 1HA GLY 4 1.867 -4.203 18.383 21 H SER 5 H SER 5 2.645 -0.902 17.376 22 HA SER 5 HA SER 5 0.079 -0.776 15.950 23 HB2 SER 5 2HB SER 5 0.688 1.749 16.017 24 HB3 SER 5 1HB SER 5 0.183 0.924 17.481 25 HG SER 5 HG SER 5 2.104 1.104 18.285 26 H GLY 6 H GLY 6 3.183 -1.474 15.172 27 HA2 GLY 6 2HA GLY 6 4.033 0.244 13.252 28 HA3 GLY 6 1HA GLY 6 4.361 -1.482 13.191 29 H ASP 7 H ASP 7 2.133 -2.694 12.512 30 HA ASP 7 HA ASP 7 1.780 -2.171 9.779 31 HB2 ASP 7 2HB ASP 7 -0.325 -3.616 10.061 32 HB3 ASP 7 1HB ASP 7 1.226 -4.349 10.421 33 H THR 8 H THR 8 -0.237 -1.412 12.494 34 HA THR 8 HA THR 8 -2.339 -0.129 11.148 35 HB THR 8 HB THR 8 -1.278 0.534 13.890 36 HG1 THR 8 1HG THR 8 -1.722 -1.830 13.221 37 HG21 THR 8 3HG2 THR 8 -4.070 0.630 12.705 38 HG22 THR 8 1HG2 THR 8 -3.042 2.006 13.095 39 HG23 THR 8 2HG2 THR 8 -3.647 0.991 14.385 40 H GLN 9 H GLN 9 0.600 1.161 12.658 41 HA GLN 9 HA GLN 9 0.191 3.863 11.930 42 HB2 GLN 9 2HB GLN 9 2.416 2.242 13.015 43 HB3 GLN 9 1HB GLN 9 2.910 3.626 12.067 44 HG2 GLN 9 2HG GLN 9 0.723 4.063 14.053 45 HG3 GLN 9 1HG GLN 9 2.361 3.861 14.656 46 HE21 GLN 9 1HE2 GLN 9 0.339 5.903 12.621 47 HE22 GLN 9 2HE2 GLN 9 1.412 7.209 12.540 48 H LEU 10 H LEU 10 2.081 1.266 10.425 49 HA LEU 10 HA LEU 10 2.917 2.895 8.275 50 HB2 LEU 10 2HB LEU 10 2.687 -0.109 8.411 51 HB3 LEU 10 1HB LEU 10 3.441 0.776 7.084 52 HG LEU 10 HG LEU 10 4.347 0.647 9.970 53 HD11 LEU 10 1HD1 LEU 10 4.971 -0.952 7.892 54 HD12 LEU 10 2HD1 LEU 10 6.033 -0.624 9.266 55 HD13 LEU 10 3HD1 LEU 10 6.207 0.302 7.757 56 HD21 LEU 10 3HD2 LEU 10 6.261 2.153 8.706 57 HD22 LEU 10 1HD2 LEU 10 4.991 2.822 9.713 58 HD23 LEU 10 2HD2 LEU 10 4.814 2.801 7.960 59 H PHE 11 H PHE 11 0.119 0.776 8.702 60 HA PHE 11 HA PHE 11 -0.906 1.006 6.093 61 HB2 PHE 11 2HB PHE 11 -1.874 -0.577 7.589 62 HB3 PHE 11 1HB PHE 11 -2.259 0.675 8.763 63 HD1 PHE 11 1HD PHE 11 -3.139 -0.653 5.381 64 HD2 PHE 11 2HD PHE 11 -4.171 2.116 8.516 65 HE1 PHE 11 1HE PHE 11 -5.289 -0.197 4.283 66 HE2 PHE 11 2HE PHE 11 -6.322 2.552 7.426 67 HZ PHE 11 HZ PHE 11 -6.905 1.411 5.319 68 H ASN 12 H ASN 12 -1.542 2.959 8.993 69 HA ASN 12 HA ASN 12 -3.261 4.822 7.732 70 HB2 ASN 12 2HB ASN 12 -1.501 5.080 10.177 71 HB3 ASN 12 1HB ASN 12 -2.628 6.316 9.653 72 HD21 ASN 12 1HD2 ASN 12 -2.431 3.898 11.786 73 HD22 ASN 12 2HD2 ASN 12 -4.060 3.415 11.889 74 H ARG 13 H ARG 13 0.190 4.795 8.350 75 HA ARG 13 HA ARG 13 0.810 7.317 7.240 76 HB2 ARG 13 2HB ARG 13 2.399 4.785 7.640 77 HB3 ARG 13 1HB ARG 13 3.097 6.292 7.051 78 HG2 ARG 13 2HG ARG 13 2.532 7.474 9.039 79 HG3 ARG 13 1HG ARG 13 1.530 6.174 9.666 80 HD2 ARG 13 2HD ARG 13 3.408 4.761 9.894 81 HD3 ARG 13 1HD ARG 13 4.540 5.918 9.187 82 HE ARG 13 HE ARG 13 3.449 5.857 11.904 83 HH11 ARG 13 1HH2 ARG 13 4.877 7.892 9.448 84 HH12 ARG 13 2HH2 ARG 13 5.431 9.045 10.555 85 HH21 ARG 13 1HH1 ARG 13 4.153 7.348 13.362 86 HH22 ARG 13 2HH1 ARG 13 5.021 8.745 12.850 87 H ALA 14 H ALA 14 0.739 4.032 5.904 88 HA ALA 14 HA ALA 14 1.567 4.843 3.295 89 HB1 ALA 14 1HB ALA 14 0.199 2.318 4.224 90 HB2 ALA 14 2HB ALA 14 1.931 2.550 4.003 91 HB3 ALA 14 3HB ALA 14 0.851 2.551 2.606 92 H VAL 15 H VAL 15 -1.636 3.940 4.599 93 HA VAL 15 HA VAL 15 -2.962 4.262 2.175 94 HB VAL 15 HB VAL 15 -3.763 3.095 4.329 95 HG11 VAL 15 1HG1 VAL 15 -3.615 5.227 5.706 96 HG12 VAL 15 2HG1 VAL 15 -5.131 4.344 5.828 97 HG13 VAL 15 3HG1 VAL 15 -5.043 5.794 4.837 98 HG21 VAL 15 3HG2 VAL 15 -5.383 4.599 2.321 99 HG22 VAL 15 1HG2 VAL 15 -6.235 3.885 3.686 100 HG23 VAL 15 2HG2 VAL 15 -5.288 2.863 2.621 101 H SER 16 H SER 16 -2.420 6.623 4.785 102 HA SER 16 HA SER 16 -4.122 8.601 3.815 103 HB2 SER 16 2HB SER 16 -2.537 10.149 5.039 104 HB3 SER 16 1HB SER 16 -3.257 8.888 5.994 105 HG SER 16 HG SER 16 -1.395 7.770 5.985 106 H MET 17 H MET 17 -0.712 8.000 3.212 107 HA MET 17 HA MET 17 -0.349 10.277 1.640 108 HB2 MET 17 2HB MET 17 1.213 7.701 1.582 109 HB3 MET 17 1HB MET 17 1.718 9.221 0.846 110 HG2 MET 17 2HG MET 17 1.327 10.248 3.211 111 HG3 MET 17 1HG MET 17 1.251 8.640 3.747 112 HE1 MET 17 3HE MET 17 4.591 6.922 3.122 113 HE2 MET 17 1HE MET 17 2.939 6.758 2.497 114 HE3 MET 17 2HE MET 17 3.230 7.000 4.217 115 H VAL 18 H VAL 18 -1.215 6.968 0.718 116 HA VAL 18 HA VAL 18 -1.259 7.590 -2.060 117 HB VAL 18 HB VAL 18 -2.401 5.441 -2.352 118 HG11 VAL 18 1HG1 VAL 18 0.103 5.588 -2.123 119 HG12 VAL 18 2HG1 VAL 18 -0.543 4.053 -1.551 120 HG13 VAL 18 3HG1 VAL 18 -0.087 5.296 -0.394 121 HG21 VAL 18 3HG2 VAL 18 -2.693 3.989 -0.321 122 HG22 VAL 18 1HG2 VAL 18 -3.776 5.384 -0.314 123 HG23 VAL 18 2HG2 VAL 18 -2.307 5.389 0.665 124 H GLU 19 H GLU 19 -3.811 7.451 0.406 125 HA GLU 19 HA GLU 19 -5.952 7.878 -1.379 126 HB2 GLU 19 2HB GLU 19 -5.706 8.594 1.550 127 HB3 GLU 19 1HB GLU 19 -7.194 8.745 0.613 128 HG2 GLU 19 2HG GLU 19 -7.086 6.261 0.138 129 HG3 GLU 19 1HG GLU 19 -5.650 6.193 1.106 130 H LYS 20 H LYS 20 -3.759 10.058 0.258 131 HA LYS 20 HA LYS 20 -5.280 12.353 -0.705 132 HB2 LYS 20 2HB LYS 20 -2.884 12.356 1.128 133 HB3 LYS 20 1HB LYS 20 -4.061 13.653 0.894 134 HG2 LYS 20 2HG LYS 20 -4.683 10.912 2.098 135 HG3 LYS 20 1HG LYS 20 -4.583 12.435 2.960 136 HD2 LYS 20 2HD LYS 20 -6.583 13.255 2.011 137 HD3 LYS 20 1HD LYS 20 -6.551 12.126 0.674 138 HE2 LYS 20 2HE LYS 20 -8.160 11.139 2.061 139 HE3 LYS 20 1HE LYS 20 -6.727 10.267 2.448 140 HZ1 LYS 20 3HZ LYS 20 -7.903 12.457 4.082 141 HZ2 LYS 20 1HZ LYS 20 -6.331 11.858 4.349 142 HZ3 LYS 20 2HZ LYS 20 -7.653 10.840 4.478 143 H ASN 21 H ASN 21 -2.972 10.521 -2.073 144 HA ASN 21 HA ASN 21 -1.408 12.701 -3.279 145 HB2 ASN 21 2HB ASN 21 -0.401 10.380 -2.924 146 HB3 ASN 21 1HB ASN 21 -1.525 9.821 -4.167 147 HD21 ASN 21 1HD2 ASN 21 1.631 10.644 -3.956 148 HD22 ASN 21 2HD2 ASN 21 1.847 11.323 -5.494 149 H LYS 22 H LYS 22 -2.168 13.893 -4.840 150 HA LYS 22 HA LYS 22 -4.681 13.669 -5.922 151 HB2 LYS 22 2HB LYS 22 -4.090 15.388 -7.479 152 HB3 LYS 22 1HB LYS 22 -3.303 15.756 -5.963 153 HG2 LYS 22 2HG LYS 22 -1.925 14.371 -8.316 154 HG3 LYS 22 1HG LYS 22 -1.796 16.064 -7.946 155 HD2 LYS 22 2HD LYS 22 -1.031 15.354 -5.583 156 HD3 LYS 22 1HD LYS 22 -0.765 13.770 -6.277 157 HE2 LYS 22 2HE LYS 22 0.531 16.359 -7.182 158 HE3 LYS 22 1HE LYS 22 1.252 14.984 -6.335 159 HZ1 LYS 22 3HZ LYS 22 1.511 13.862 -8.229 160 HZ2 LYS 22 1HZ LYS 22 1.241 15.280 -9.037 161 HZ3 LYS 22 2HZ LYS 22 -0.011 14.176 -8.859 162 H ASP 23 H ASP 23 -1.629 12.507 -7.220 163 HA ASP 23 HA ASP 23 -2.512 11.744 -9.774 164 HB2 ASP 23 2HB ASP 23 -0.366 10.788 -7.927 165 HB3 ASP 23 1HB ASP 23 -0.551 10.094 -9.517 166 H ILE 24 H ILE 24 -2.174 9.961 -6.761 167 HA ILE 24 HA ILE 24 -3.405 7.587 -7.723 168 HB ILE 24 HB ILE 24 -2.909 8.557 -4.897 169 HG12 ILE 24 2HG1 ILE 24 -1.659 6.281 -6.441 170 HG13 ILE 24 1HG1 ILE 24 -0.963 7.890 -6.475 171 HG21 ILE 24 1HG2 ILE 24 -4.657 7.071 -4.552 172 HG22 ILE 24 2HG2 ILE 24 -3.282 5.966 -4.530 173 HG23 ILE 24 3HG2 ILE 24 -4.270 6.125 -5.995 174 HD11 ILE 24 3HD1 ILE 24 -0.077 6.188 -4.722 175 HD12 ILE 24 1HD1 ILE 24 -1.587 6.534 -3.875 176 HD13 ILE 24 2HD1 ILE 24 -0.428 7.841 -4.179 177 H ARG 25 H ARG 25 -4.581 10.419 -5.989 178 HA ARG 25 HA ARG 25 -7.191 9.503 -5.565 179 HB2 ARG 25 2HB ARG 25 -6.082 12.237 -6.038 180 HB3 ARG 25 1HB ARG 25 -7.778 12.002 -5.666 181 HG2 ARG 25 2HG ARG 25 -7.144 10.809 -3.592 182 HG3 ARG 25 1HG ARG 25 -5.446 11.060 -3.925 183 HD2 ARG 25 2HD ARG 25 -6.130 12.776 -2.360 184 HD3 ARG 25 1HD ARG 25 -5.904 13.558 -3.900 185 HE ARG 25 HE ARG 25 -8.167 14.034 -3.944 186 HH11 ARG 25 1HH2 ARG 25 -7.510 11.414 -1.712 187 HH12 ARG 25 2HH2 ARG 25 -9.045 11.470 -0.965 188 HH21 ARG 25 1HH1 ARG 25 -10.224 14.107 -2.962 189 HH22 ARG 25 2HH1 ARG 25 -10.633 13.031 -1.696 190 H SER 26 H SER 26 -5.728 11.132 -8.323 191 HA SER 26 HA SER 26 -8.055 11.214 -9.930 192 HB2 SER 26 2HB SER 26 -5.131 11.158 -10.474 193 HB3 SER 26 1HB SER 26 -6.296 11.218 -11.810 194 HG SER 26 HG SER 26 -6.029 13.280 -11.385 195 H LEU 27 H LEU 27 -5.542 8.762 -9.436 196 HA LEU 27 HA LEU 27 -6.569 6.862 -11.311 197 HB2 LEU 27 2HB LEU 27 -4.930 6.434 -8.789 198 HB3 LEU 27 1HB LEU 27 -5.327 5.204 -9.975 199 HG LEU 27 HG LEU 27 -3.856 7.760 -10.669 200 HD11 LEU 27 1HD1 LEU 27 -2.611 6.153 -9.127 201 HD12 LEU 27 2HD1 LEU 27 -1.821 6.561 -10.647 202 HD13 LEU 27 3HD1 LEU 27 -2.634 5.009 -10.474 203 HD21 LEU 27 3HD2 LEU 27 -4.967 6.852 -12.602 204 HD22 LEU 27 1HD2 LEU 27 -4.508 5.209 -12.166 205 HD23 LEU 27 2HD2 LEU 27 -3.287 6.342 -12.723 206 H LEU 28 H LEU 28 -7.132 7.501 -7.906 207 HA LEU 28 HA LEU 28 -9.055 5.384 -7.582 208 HB2 LEU 28 2HB LEU 28 -8.458 7.792 -5.827 209 HB3 LEU 28 1HB LEU 28 -9.507 6.476 -5.358 210 HG LEU 28 HG LEU 28 -6.546 6.232 -6.011 211 HD11 LEU 28 1HD1 LEU 28 -6.235 5.878 -3.633 212 HD12 LEU 28 2HD1 LEU 28 -7.959 5.971 -3.332 213 HD13 LEU 28 3HD1 LEU 28 -7.083 7.398 -3.852 214 HD21 LEU 28 3HD2 LEU 28 -8.494 4.160 -4.912 215 HD22 LEU 28 1HD2 LEU 28 -6.773 3.932 -5.184 216 HD23 LEU 28 2HD2 LEU 28 -7.822 4.150 -6.560 217 H GLN 29 H GLN 29 -9.160 8.035 -9.404 218 HA GLN 29 HA GLN 29 -10.794 9.361 -10.296 219 HB2 GLN 29 2HB GLN 29 -12.779 7.384 -9.170 220 HB3 GLN 29 1HB GLN 29 -12.945 8.351 -10.628 221 HG2 GLN 29 2HG GLN 29 -11.037 6.016 -10.217 222 HG3 GLN 29 1HG GLN 29 -12.434 6.073 -11.270 223 HE21 GLN 29 1HE2 GLN 29 -9.185 6.158 -11.468 224 HE22 GLN 29 2HE2 GLN 29 -9.011 7.139 -12.833 225 H CYS 30 H CYS 30 -9.892 9.772 -7.589 226 HA CYS 30 HA CYS 30 -12.009 10.264 -5.810 227 HB2 CYS 30 2HB CYS 30 -9.243 10.423 -5.646 228 HB3 CYS 30 1HB CYS 30 -9.773 12.076 -5.347 229 HG CYS 30 HG CYS 30 -10.672 11.363 -3.167 230 H ASP 31 H ASP 31 -13.508 11.203 -7.289 231 HA ASP 31 HA ASP 31 -13.380 14.132 -7.186 232 HB2 ASP 31 2HB ASP 31 -12.750 13.200 -9.512 233 HB3 ASP 31 1HB ASP 31 -14.444 12.732 -9.627 234 H ASP 32 H ASP 32 -14.836 14.116 -5.551 235 HA ASP 32 HA ASP 32 -17.221 12.535 -5.569 236 HB2 ASP 32 2HB ASP 32 -16.091 14.612 -3.726 237 HB3 ASP 32 1HB ASP 32 -17.755 14.133 -3.561 238 H GLY 33 H GLY 33 -19.382 13.320 -5.512 239 HA2 GLY 33 2HA GLY 33 -20.981 15.012 -5.745 240 HA3 GLY 33 1HA GLY 33 -19.867 16.002 -6.659 241 H ILE 34 H ILE 34 -19.034 14.611 -8.693 242 HA ILE 34 HA ILE 34 -21.177 14.451 -10.467 243 HB ILE 34 HB ILE 34 -18.912 14.792 -11.244 244 HG12 ILE 34 2HG1 ILE 34 -18.835 13.109 -13.095 245 HG13 ILE 34 1HG1 ILE 34 -20.046 12.155 -12.271 246 HG21 ILE 34 1HG2 ILE 34 -17.148 13.557 -10.667 247 HG22 ILE 34 2HG2 ILE 34 -17.945 12.052 -11.065 248 HG23 ILE 34 3HG2 ILE 34 -18.175 12.776 -9.473 249 HD11 ILE 34 3HD1 ILE 34 -20.909 13.719 -14.086 250 HD12 ILE 34 1HD1 ILE 34 -20.533 15.059 -13.008 251 HD13 ILE 34 2HD1 ILE 34 -21.719 13.843 -12.535 252 H THR 35 H THR 35 -19.748 12.053 -8.419 253 HA THR 35 HA THR 35 -21.722 10.043 -9.318 254 HB THR 35 HB THR 35 -19.749 8.979 -9.842 255 HG1 THR 35 1HG THR 35 -20.445 8.485 -7.217 256 HG21 THR 35 3HG2 THR 35 -17.634 9.345 -8.356 257 HG22 THR 35 1HG2 THR 35 -18.486 10.770 -7.785 258 HG23 THR 35 2HG2 THR 35 -18.111 10.576 -9.504 259 H GLY 36 H GLY 36 -22.131 12.230 -7.400 260 HA2 GLY 36 2HA GLY 36 -23.083 12.471 -5.296 261 HA3 GLY 36 1HA GLY 36 -22.941 10.715 -5.086 262 H LYS 37 H LYS 37 -21.960 10.954 -3.033 263 HA LYS 37 HA LYS 37 -19.156 11.762 -3.357 264 HB2 LYS 37 2HB LYS 37 -20.822 11.918 -0.839 265 HB3 LYS 37 1HB LYS 37 -19.081 12.061 -0.900 266 HG2 LYS 37 2HG LYS 37 -19.659 14.315 -1.086 267 HG3 LYS 37 1HG LYS 37 -19.469 13.838 -2.760 268 HD2 LYS 37 2HD LYS 37 -21.532 15.122 -2.489 269 HD3 LYS 37 1HD LYS 37 -21.898 13.502 -3.006 270 HE2 LYS 37 2HE LYS 37 -23.345 14.351 -1.127 271 HE3 LYS 37 1HE LYS 37 -22.595 12.811 -0.819 272 HZ1 LYS 37 3HZ LYS 37 -21.576 15.441 0.167 273 HZ2 LYS 37 1HZ LYS 37 -20.813 13.950 0.439 274 HZ3 LYS 37 2HZ LYS 37 -22.339 14.241 1.086 275 H GLU 38 H GLU 38 -17.884 10.113 -3.390 276 HA GLU 38 HA GLU 38 -18.759 7.579 -2.244 277 HB2 GLU 38 2HB GLU 38 -16.713 8.262 -4.289 278 HB3 GLU 38 1HB GLU 38 -16.470 6.798 -3.312 279 HG2 GLU 38 2HG GLU 38 -18.974 7.466 -4.881 280 HG3 GLU 38 1HG GLU 38 -17.723 6.347 -5.396 281 H ARG 39 H ARG 39 -17.690 6.462 -0.811 282 HA ARG 39 HA ARG 39 -15.782 7.990 0.862 283 HB2 ARG 39 2HB ARG 39 -17.626 5.712 1.673 284 HB3 ARG 39 1HB ARG 39 -16.513 6.573 2.724 285 HG2 ARG 39 2HG ARG 39 -18.430 7.770 3.151 286 HG3 ARG 39 1HG ARG 39 -17.777 8.729 1.824 287 HD2 ARG 39 2HD ARG 39 -19.126 7.350 0.263 288 HD3 ARG 39 1HD ARG 39 -19.912 6.562 1.622 289 HE ARG 39 HE ARG 39 -20.387 9.260 0.636 290 HH11 ARG 39 1HH2 ARG 39 -20.581 7.129 3.367 291 HH12 ARG 39 2HH2 ARG 39 -21.863 7.967 4.142 292 HH21 ARG 39 1HH1 ARG 39 -22.081 10.398 1.631 293 HH22 ARG 39 2HH1 ARG 39 -22.745 9.882 3.120 294 H LEU 40 H LEU 40 -13.772 7.315 0.727 295 HA LEU 40 HA LEU 40 -13.126 4.932 -0.729 296 HB2 LEU 40 2HB LEU 40 -11.333 6.871 0.782 297 HB3 LEU 40 1HB LEU 40 -10.782 5.520 -0.186 298 HG LEU 40 HG LEU 40 -12.230 6.500 -2.098 299 HD11 LEU 40 1HD1 LEU 40 -12.104 9.130 -1.769 300 HD12 LEU 40 2HD1 LEU 40 -12.237 8.700 -0.074 301 HD13 LEU 40 3HD1 LEU 40 -13.511 8.224 -1.200 302 HD21 LEU 40 3HD2 LEU 40 -10.340 8.160 -2.643 303 HD22 LEU 40 1HD2 LEU 40 -9.846 6.505 -2.308 304 HD23 LEU 40 2HD2 LEU 40 -9.652 7.744 -1.075 305 H LYS 41 H LYS 41 -12.291 3.048 -0.010 306 HA LYS 41 HA LYS 41 -12.138 2.644 2.901 307 HB2 LYS 41 2HB LYS 41 -13.541 0.914 0.866 308 HB3 LYS 41 1HB LYS 41 -13.060 0.307 2.444 309 HG2 LYS 41 2HG LYS 41 -14.632 2.877 2.338 310 HG3 LYS 41 1HG LYS 41 -15.462 1.370 2.046 311 HD2 LYS 41 2HD LYS 41 -15.654 1.497 4.384 312 HD3 LYS 41 1HD LYS 41 -14.243 0.492 4.186 313 HE2 LYS 41 2HE LYS 41 -14.072 2.433 5.853 314 HE3 LYS 41 1HE LYS 41 -12.739 2.229 4.719 315 HZ1 LYS 41 3HZ LYS 41 -13.300 4.201 3.626 316 HZ2 LYS 41 1HZ LYS 41 -14.010 4.547 5.102 317 HZ3 LYS 41 2HZ LYS 41 -14.958 3.971 3.885 318 H ALA 42 H ALA 42 -10.573 1.286 3.612 319 HA ALA 42 HA ALA 42 -8.876 0.041 1.584 320 HB1 ALA 42 1HB ALA 42 -8.041 1.894 3.781 321 HB2 ALA 42 2HB ALA 42 -7.565 1.885 2.088 322 HB3 ALA 42 3HB ALA 42 -6.917 0.660 3.182 323 H TYR 43 H TYR 43 -8.349 -2.014 2.022 324 HA TYR 43 HA TYR 43 -8.478 -3.066 4.716 325 HB2 TYR 43 2HB TYR 43 -10.156 -4.834 3.959 326 HB3 TYR 43 1HB TYR 43 -10.783 -3.245 4.349 327 HD1 TYR 43 1HD TYR 43 -9.432 -5.130 1.355 328 HD2 TYR 43 2HD TYR 43 -12.226 -2.191 2.809 329 HE1 TYR 43 1HE TYR 43 -10.387 -4.966 -0.860 330 HE2 TYR 43 2HE TYR 43 -13.195 -2.019 0.553 331 HH TYR 43 HH TYR 43 -13.232 -2.913 -1.537 332 H GLY 44 H GLY 44 -8.162 -5.512 4.716 333 HA2 GLY 44 2HA GLY 44 -5.798 -6.242 3.351 334 HA3 GLY 44 1HA GLY 44 -6.887 -7.277 4.236 335 H GLU 45 H GLU 45 -5.688 -7.885 1.656 336 HA GLU 45 HA GLU 45 -6.757 -7.791 -0.658 337 HB2 GLU 45 2HB GLU 45 -6.077 -10.022 1.021 338 HB3 GLU 45 1HB GLU 45 -7.011 -10.514 -0.388 339 HG2 GLU 45 2HG GLU 45 -4.709 -10.598 -1.114 340 HG3 GLU 45 1HG GLU 45 -5.363 -9.115 -1.789 341 H LEU 46 H LEU 46 -8.638 -7.189 -1.284 342 HA LEU 46 HA LEU 46 -11.084 -7.291 -0.160 343 HB2 LEU 46 2HB LEU 46 -11.845 -6.333 -2.047 344 HB3 LEU 46 1HB LEU 46 -10.138 -6.232 -2.438 345 HG LEU 46 HG LEU 46 -12.022 -8.452 -3.345 346 HD11 LEU 46 1HD1 LEU 46 -11.678 -7.447 -5.563 347 HD12 LEU 46 2HD1 LEU 46 -10.814 -6.108 -4.797 348 HD13 LEU 46 3HD1 LEU 46 -12.521 -6.378 -4.438 349 HD21 LEU 46 3HD2 LEU 46 -9.607 -8.281 -4.871 350 HD22 LEU 46 1HD2 LEU 46 -10.153 -9.607 -3.866 351 HD23 LEU 46 2HD2 LEU 46 -9.125 -8.348 -3.183 352 H ILE 47 H ILE 47 -9.524 -9.899 -1.784 353 HA ILE 47 HA ILE 47 -11.844 -11.382 -2.450 354 HB ILE 47 HB ILE 47 -9.866 -11.728 -3.712 355 HG12 ILE 47 2HG1 ILE 47 -10.356 -14.213 -2.014 356 HG13 ILE 47 1HG1 ILE 47 -11.347 -13.701 -3.385 357 HG21 ILE 47 1HG2 ILE 47 -8.446 -11.361 -1.426 358 HG22 ILE 47 2HG2 ILE 47 -7.780 -12.088 -2.885 359 HG23 ILE 47 3HG2 ILE 47 -8.335 -13.116 -1.580 360 HD11 ILE 47 3HD1 ILE 47 -8.488 -14.615 -3.375 361 HD12 ILE 47 1HD1 ILE 47 -9.167 -13.733 -4.743 362 HD13 ILE 47 2HD1 ILE 47 -9.854 -15.288 -4.267 363 H THR 48 H THR 48 -9.366 -12.093 -0.002 364 HA THR 48 HA THR 48 -11.361 -13.771 1.336 365 HB THR 48 HB THR 48 -9.389 -14.894 0.245 366 HG1 THR 48 1HG THR 48 -10.459 -16.058 1.660 367 HG21 THR 48 3HG2 THR 48 -7.248 -14.853 1.297 368 HG22 THR 48 1HG2 THR 48 -7.802 -13.841 2.617 369 HG23 THR 48 2HG2 THR 48 -7.673 -13.191 0.983 370 H ASN 49 H ASN 49 -8.384 -12.035 2.274 371 HA ASN 49 HA ASN 49 -9.195 -11.998 4.996 372 HB2 ASN 49 2HB ASN 49 -6.911 -11.967 4.583 373 HB3 ASN 49 1HB ASN 49 -6.982 -10.435 3.663 374 HD21 ASN 49 1HD2 ASN 49 -6.953 -11.863 6.869 375 HD22 ASN 49 2HD2 ASN 49 -7.018 -10.405 7.721 376 H ASP 50 H ASP 50 -9.845 -9.788 2.421 377 HA ASP 50 HA ASP 50 -10.426 -7.438 3.550 378 HB2 ASP 50 2HB ASP 50 -12.015 -7.097 1.896 379 HB3 ASP 50 1HB ASP 50 -11.090 -8.468 1.282 380 H LYS 51 H LYS 51 -12.084 -10.414 3.941 381 HA LYS 51 HA LYS 51 -14.391 -9.637 5.320 382 HB2 LYS 51 2HB LYS 51 -12.830 -12.222 5.334 383 HB3 LYS 51 1HB LYS 51 -14.515 -12.021 5.886 384 HG2 LYS 51 2HG LYS 51 -15.158 -11.220 3.643 385 HG3 LYS 51 1HG LYS 51 -13.460 -11.354 3.167 386 HD2 LYS 51 2HD LYS 51 -13.512 -13.766 3.409 387 HD3 LYS 51 1HD LYS 51 -15.173 -13.702 4.008 388 HE2 LYS 51 2HE LYS 51 -14.955 -14.259 1.518 389 HE3 LYS 51 1HE LYS 51 -16.006 -12.918 1.915 390 HZ1 LYS 51 3HZ LYS 51 -13.395 -12.807 0.530 391 HZ2 LYS 51 1HZ LYS 51 -13.804 -11.472 1.479 392 HZ3 LYS 51 2HZ LYS 51 -14.816 -12.008 0.288 393 H TRP 52 H TRP 52 -12.334 -11.837 7.037 394 HA TRP 52 HA TRP 52 -12.044 -9.845 9.207 395 HB2 TRP 52 2HB TRP 52 -12.580 -12.810 9.441 396 HB3 TRP 52 1HB TRP 52 -12.065 -11.807 10.794 397 HD1 TRP 52 HD TRP 52 -15.098 -12.778 8.832 398 HE1 TRP 52 1HE TRP 52 -17.120 -11.415 9.612 399 HE3 TRP 52 3HE TRP 52 -12.739 -9.293 11.727 400 HZ2 TRP 52 2HZ TRP 52 -17.684 -9.138 11.255 401 HZ3 TRP 52 3HZ TRP 52 -14.046 -7.534 12.881 402 HH2 TRP 52 HH TRP 52 -16.507 -7.450 12.648 403 H THR 53 H THR 53 -10.605 -13.032 9.169 404 HA THR 53 HA THR 53 -7.948 -11.760 9.334 405 HB THR 53 HB THR 53 -7.459 -13.914 10.574 406 HG1 THR 53 1HG THR 53 -9.315 -15.020 11.274 407 HG21 THR 53 3HG2 THR 53 -7.831 -11.783 11.732 408 HG22 THR 53 1HG2 THR 53 -8.600 -13.090 12.619 409 HG23 THR 53 2HG2 THR 53 -9.573 -12.001 11.631 410 H ARG 54 H ARG 54 -9.856 -13.786 7.414 411 HA ARG 54 HA ARG 54 -8.879 -15.919 6.501 412 HB2 ARG 54 2HB ARG 54 -9.858 -13.683 4.960 413 HB3 ARG 54 1HB ARG 54 -8.804 -14.761 4.015 414 HG2 ARG 54 2HG ARG 54 -10.984 -15.662 3.812 415 HG3 ARG 54 1HG ARG 54 -10.222 -16.669 5.030 416 HD2 ARG 54 2HD ARG 54 -12.057 -14.305 5.543 417 HD3 ARG 54 1HD ARG 54 -12.468 -16.004 5.571 418 HE ARG 54 HE ARG 54 -10.291 -15.624 7.368 419 HH11 ARG 54 1HH2 ARG 54 -13.700 -14.943 7.120 420 HH12 ARG 54 2HH2 ARG 54 -13.915 -14.724 8.795 421 HH21 ARG 54 1HH1 ARG 54 -10.561 -15.285 9.640 422 HH22 ARG 54 2HH1 ARG 54 -12.111 -14.943 10.228 423 H ASN 55 H ASN 55 -7.088 -13.817 4.386 424 HA ASN 55 HA ASN 55 -4.878 -15.690 4.878 425 HB2 ASN 55 2HB ASN 55 -5.411 -15.486 2.581 426 HB3 ASN 55 1HB ASN 55 -5.434 -13.736 2.656 427 HD21 ASN 55 1HD2 ASN 55 -3.177 -16.523 3.009 428 HD22 ASN 55 2HD2 ASN 55 -1.812 -15.662 2.508 429 H ARG 56 H ARG 56 -4.139 -12.490 3.675 430 HA ARG 56 HA ARG 56 -2.765 -11.972 6.212 431 HB2 ARG 56 2HB ARG 56 -1.149 -12.402 4.555 432 HB3 ARG 56 1HB ARG 56 -1.816 -11.168 3.436 433 HG2 ARG 56 2HG ARG 56 -1.283 -10.142 6.097 434 HG3 ARG 56 1HG ARG 56 0.173 -10.910 5.461 435 HD2 ARG 56 2HD ARG 56 -1.291 -8.469 4.499 436 HD3 ARG 56 1HD ARG 56 0.407 -8.741 4.691 437 HE ARG 56 HE ARG 56 0.460 -9.949 2.622 438 HH11 ARG 56 1HH2 ARG 56 -2.714 -8.726 3.438 439 HH12 ARG 56 2HH2 ARG 56 -3.232 -8.594 1.815 440 HH21 ARG 56 1HH1 ARG 56 -0.289 -9.834 0.444 441 HH22 ARG 56 2HH1 ARG 56 -1.879 -9.228 0.116 442 HA PRO 57 HA PRO 57 -5.501 -8.385 5.968 443 HB2 PRO 57 2HB PRO 57 -5.232 -7.770 8.571 444 HB3 PRO 57 1HB PRO 57 -6.503 -8.824 7.990 445 HG2 PRO 57 2HG PRO 57 -3.974 -9.531 9.389 446 HG3 PRO 57 1HG PRO 57 -5.515 -10.385 9.393 447 HD2 PRO 57 2HD PRO 57 -3.338 -11.224 7.979 448 HD3 PRO 57 1HD PRO 57 -4.989 -11.638 7.481 449 H ILE 58 H ILE 58 -5.057 -6.144 6.983 450 HA ILE 58 HA ILE 58 -2.752 -5.147 5.796 451 HB ILE 58 HB ILE 58 -4.427 -3.990 8.039 452 HG12 ILE 58 2HG1 ILE 58 -4.530 -3.354 5.084 453 HG13 ILE 58 1HG1 ILE 58 -5.555 -4.607 5.780 454 HG21 ILE 58 1HG2 ILE 58 -3.564 -1.868 7.431 455 HG22 ILE 58 2HG2 ILE 58 -2.626 -2.536 6.088 456 HG23 ILE 58 3HG2 ILE 58 -2.169 -2.887 7.754 457 HD11 ILE 58 3HD1 ILE 58 -5.531 -1.946 7.130 458 HD12 ILE 58 1HD1 ILE 58 -6.857 -3.085 6.886 459 HD13 ILE 58 2HD1 ILE 58 -6.321 -2.055 5.560 460 H VAL 59 H VAL 59 -1.081 -6.615 6.546 461 HA VAL 59 HA VAL 59 0.102 -5.798 9.118 462 HB VAL 59 HB VAL 59 0.741 -8.078 9.583 463 HG11 VAL 59 1HG1 VAL 59 -2.177 -7.988 8.833 464 HG12 VAL 59 2HG1 VAL 59 -1.508 -7.382 10.355 465 HG13 VAL 59 3HG1 VAL 59 -1.441 -9.112 9.962 466 HG21 VAL 59 3HG2 VAL 59 -0.647 -9.763 7.885 467 HG22 VAL 59 1HG2 VAL 59 1.067 -9.406 7.728 468 HG23 VAL 59 2HG2 VAL 59 -0.130 -8.513 6.783 469 H SER 60 H SER 60 2.449 -6.188 9.158 470 HA SER 60 HA SER 60 3.651 -6.158 6.450 471 HB2 SER 60 2HB SER 60 5.059 -5.405 9.010 472 HB3 SER 60 1HB SER 60 5.529 -5.082 7.351 473 HG SER 60 HG SER 60 3.061 -4.057 7.865 474 H THR 61 H THR 61 4.547 -8.098 5.877 475 HA THR 61 HA THR 61 4.835 -10.165 7.824 476 HB THR 61 HB THR 61 5.710 -11.523 6.052 477 HG1 THR 61 1HG THR 61 7.073 -9.611 5.406 478 HG21 THR 61 3HG2 THR 61 3.761 -9.583 4.756 479 HG22 THR 61 1HG2 THR 61 3.292 -10.844 5.889 480 HG23 THR 61 2HG2 THR 61 3.997 -11.270 4.333 481 H LYS 62 H LYS 62 6.246 -9.795 9.416 482 HA LYS 62 HA LYS 62 8.546 -8.203 9.233 483 HB2 LYS 62 2HB LYS 62 7.794 -10.382 11.196 484 HB3 LYS 62 1HB LYS 62 9.209 -9.364 11.350 485 HG2 LYS 62 2HG LYS 62 6.428 -8.188 11.054 486 HG3 LYS 62 1HG LYS 62 7.092 -8.618 12.629 487 HD2 LYS 62 2HD LYS 62 9.174 -7.189 11.802 488 HD3 LYS 62 1HD LYS 62 7.989 -6.480 10.710 489 HE2 LYS 62 2HE LYS 62 7.310 -5.129 12.375 490 HE3 LYS 62 1HE LYS 62 6.749 -6.532 13.292 491 HZ1 LYS 62 3HZ LYS 62 9.343 -6.637 13.838 492 HZ2 LYS 62 1HZ LYS 62 8.322 -5.600 14.711 493 HZ3 LYS 62 2HZ LYS 62 9.216 -5.002 13.424 494 H LYS 63 H LYS 63 10.373 -8.611 8.236 495 HA LYS 63 HA LYS 63 11.592 -11.213 8.523 496 HB2 LYS 63 2HB LYS 63 11.447 -9.800 5.859 497 HB3 LYS 63 1HB LYS 63 12.457 -11.191 6.207 498 HG2 LYS 63 2HG LYS 63 10.089 -12.232 7.015 499 HG3 LYS 63 1HG LYS 63 9.487 -11.086 5.826 500 HD2 LYS 63 2HD LYS 63 11.553 -13.238 5.343 501 HD3 LYS 63 1HD LYS 63 9.899 -13.271 4.813 502 HE2 LYS 63 2HE LYS 63 10.256 -11.868 3.040 503 HE3 LYS 63 1HE LYS 63 11.309 -10.807 3.954 504 HZ1 LYS 63 3HZ LYS 63 12.674 -13.232 3.620 505 HZ2 LYS 63 1HZ LYS 63 13.025 -11.727 2.975 506 HZ3 LYS 63 2HZ LYS 63 12.061 -12.766 2.094 507 H LEU 64 H LEU 64 13.903 -11.048 8.402 508 HA LEU 64 HA LEU 64 14.790 -8.299 9.001 509 HB2 LEU 64 2HB LEU 64 14.961 -10.321 10.677 510 HB3 LEU 64 1HB LEU 64 16.330 -10.787 9.693 511 HG LEU 64 HG LEU 64 17.227 -9.466 11.425 512 HD11 LEU 64 1HD1 LEU 64 16.961 -7.405 9.258 513 HD12 LEU 64 2HD1 LEU 64 17.919 -8.877 9.025 514 HD13 LEU 64 3HD1 LEU 64 18.321 -7.747 10.318 515 HD21 LEU 64 3HD2 LEU 64 15.515 -7.078 10.845 516 HD22 LEU 64 1HD2 LEU 64 16.275 -7.562 12.352 517 HD23 LEU 64 2HD2 LEU 64 14.819 -8.381 11.802 518 H ASP 65 H ASP 65 15.888 -7.354 7.350 519 HA ASP 65 HA ASP 65 16.809 -8.981 5.238 520 HB2 ASP 65 2HB ASP 65 16.828 -6.026 5.652 521 HB3 ASP 65 1HB ASP 65 17.833 -6.685 4.428 522 H LYS 66 H LYS 66 18.695 -9.033 4.394 523 HA LYS 66 HA LYS 66 20.964 -9.864 5.684 524 HB2 LYS 66 2HB LYS 66 22.122 -9.030 3.548 525 HB3 LYS 66 1HB LYS 66 20.822 -10.228 3.416 526 HG2 LYS 66 2HG LYS 66 19.978 -7.345 3.251 527 HG3 LYS 66 1HG LYS 66 20.870 -8.002 1.897 528 HD2 LYS 66 2HD LYS 66 19.272 -9.598 1.379 529 HD3 LYS 66 1HD LYS 66 18.441 -9.583 2.909 530 HE2 LYS 66 2HE LYS 66 17.915 -7.077 2.308 531 HE3 LYS 66 1HE LYS 66 18.317 -7.575 0.666 532 HZ1 LYS 66 3HZ LYS 66 16.656 -9.538 1.277 533 HZ2 LYS 66 1HZ LYS 66 16.096 -8.052 0.755 534 HZ3 LYS 66 2HZ LYS 66 16.082 -8.404 2.391 535 H GLU 67 H GLU 67 19.868 -6.609 5.081 536 HA GLU 67 HA GLU 67 22.267 -5.197 5.528 537 HB2 GLU 67 2HB GLU 67 19.371 -4.360 5.906 538 HB3 GLU 67 1HB GLU 67 20.756 -3.288 6.000 539 HG2 GLU 67 2HG GLU 67 21.388 -3.815 3.698 540 HG3 GLU 67 1HG GLU 67 20.065 -4.969 3.571 541 H GLY 68 H GLY 68 19.742 -6.417 7.621 542 HA2 GLY 68 2HA GLY 68 20.158 -6.919 9.953 543 HA3 GLY 68 1HA GLY 68 21.222 -5.517 10.017 544 H ARG 69 H ARG 69 18.163 -5.724 8.313 545 HA ARG 69 HA ARG 69 16.938 -3.829 10.204 546 HB2 ARG 69 2HB ARG 69 16.901 -3.640 7.177 547 HB3 ARG 69 1HB ARG 69 16.062 -2.577 8.302 548 HG2 ARG 69 2HG ARG 69 19.090 -2.918 8.240 549 HG3 ARG 69 1HG ARG 69 18.211 -1.606 7.468 550 HD2 ARG 69 2HD ARG 69 17.239 -0.948 9.613 551 HD3 ARG 69 1HD ARG 69 18.099 -2.198 10.460 552 HE ARG 69 HE ARG 69 19.200 0.257 9.331 553 HH11 ARG 69 1HH2 ARG 69 19.800 -2.893 10.793 554 HH12 ARG 69 2HH2 ARG 69 21.325 -2.453 11.397 555 HH21 ARG 69 1HH1 ARG 69 21.276 0.818 10.182 556 HH22 ARG 69 2HH1 ARG 69 22.186 -0.336 11.054 557 H THR 70 H THR 70 14.806 -4.254 10.574 558 HA THR 70 HA THR 70 13.728 -6.725 9.574 559 HB THR 70 HB THR 70 12.004 -4.716 10.906 560 HG1 THR 70 1HG THR 70 13.040 -4.750 12.697 561 HG21 THR 70 3HG2 THR 70 11.092 -6.873 10.341 562 HG22 THR 70 1HG2 THR 70 11.200 -6.702 12.090 563 HG23 THR 70 2HG2 THR 70 12.381 -7.698 11.226 564 H HIS 71 H HIS 71 12.503 -6.950 7.833 565 HA HIS 71 HA HIS 71 11.815 -4.574 6.259 566 HB2 HIS 71 2HB HIS 71 12.997 -6.783 5.418 567 HB3 HIS 71 1HB HIS 71 11.338 -7.355 5.313 568 HD1 HIS 71 1HD HIS 71 13.825 -5.417 3.508 569 HD2 HIS 71 2HD HIS 71 9.631 -5.540 3.581 570 HE1 HIS 71 1HE HIS 71 12.975 -4.285 1.365 571 HE2 HIS 71 2HE HIS 71 10.460 -4.425 1.391 572 H HIS 72 H HIS 72 9.809 -3.916 5.959 573 HA HIS 72 HA HIS 72 7.591 -5.505 7.073 574 HB2 HIS 72 2HB HIS 72 8.013 -2.565 6.601 575 HB3 HIS 72 1HB HIS 72 6.388 -3.214 6.695 576 HD1 HIS 72 1HD HIS 72 5.430 -3.310 8.984 577 HD2 HIS 72 2HD HIS 72 9.609 -3.441 9.038 578 HE1 HIS 72 1HE HIS 72 6.127 -3.286 11.433 579 HE2 HIS 72 2HE HIS 72 8.708 -3.414 11.473 580 H TYR 73 H TYR 73 6.809 -6.743 5.425 581 HA TYR 73 HA TYR 73 6.431 -5.491 2.779 582 HB2 TYR 73 2HB TYR 73 6.149 -8.392 3.599 583 HB3 TYR 73 1HB TYR 73 5.973 -7.764 1.987 584 HD1 TYR 73 2HD TYR 73 7.894 -6.782 0.768 585 HD2 TYR 73 1HD TYR 73 8.433 -8.754 4.545 586 HE1 TYR 73 2HE TYR 73 10.307 -6.965 0.328 587 HE2 TYR 73 1HE TYR 73 10.844 -8.926 4.096 588 HH TYR 73 HH TYR 73 12.449 -7.163 2.067 589 H MET 74 H MET 74 4.598 -4.306 3.088 590 HA MET 74 HA MET 74 2.188 -5.772 3.979 591 HB2 MET 74 2HB MET 74 3.011 -4.307 5.786 592 HB3 MET 74 1HB MET 74 2.948 -2.928 4.704 593 HG2 MET 74 2HG MET 74 0.512 -3.222 4.440 594 HG3 MET 74 1HG MET 74 0.534 -4.635 5.470 595 HE1 MET 74 3HE MET 74 1.037 -0.268 6.453 596 HE2 MET 74 1HE MET 74 1.204 -1.095 4.897 597 HE3 MET 74 2HE MET 74 2.553 -1.052 6.030 598 H ARG 75 H ARG 75 0.525 -5.665 2.726 599 HA ARG 75 HA ARG 75 0.244 -3.400 0.953 600 HB2 ARG 75 2HB ARG 75 -0.451 -4.901 -0.911 601 HB3 ARG 75 1HB ARG 75 1.262 -5.014 -0.531 602 HG2 ARG 75 2HG ARG 75 0.914 -7.038 0.740 603 HG3 ARG 75 1HG ARG 75 -0.828 -6.933 0.555 604 HD2 ARG 75 2HD ARG 75 -0.003 -8.508 -1.112 605 HD3 ARG 75 1HD ARG 75 -0.506 -7.047 -1.947 606 HE ARG 75 HE ARG 75 2.274 -6.964 -1.242 607 HH11 ARG 75 1HH2 ARG 75 -0.032 -8.291 -3.524 608 HH12 ARG 75 2HH2 ARG 75 1.104 -8.483 -4.766 609 HH21 ARG 75 1HH1 ARG 75 3.816 -7.245 -2.951 610 HH22 ARG 75 2HH1 ARG 75 3.307 -7.897 -4.446 611 H PHE 76 H PHE 76 -1.901 -3.052 0.288 612 HA PHE 76 HA PHE 76 -3.969 -4.691 1.449 613 HB2 PHE 76 2HB PHE 76 -5.025 -2.745 2.659 614 HB3 PHE 76 1HB PHE 76 -3.541 -3.386 3.370 615 HD1 PHE 76 1HD PHE 76 -5.013 -0.535 1.493 616 HD2 PHE 76 2HD PHE 76 -1.479 -2.112 3.383 617 HE1 PHE 76 1HE PHE 76 -3.945 1.698 1.390 618 HE2 PHE 76 2HE PHE 76 -0.433 0.123 3.278 619 HZ PHE 76 HZ PHE 76 -1.655 2.027 2.283 620 H HIS 77 H HIS 77 -6.169 -3.932 0.892 621 HA HIS 77 HA HIS 77 -6.079 -2.855 -1.822 622 HB2 HIS 77 2HB HIS 77 -7.865 -4.842 -0.446 623 HB3 HIS 77 1HB HIS 77 -8.408 -3.984 -1.883 624 HD1 HIS 77 1HD HIS 77 -5.424 -6.130 -0.777 625 HD2 HIS 77 2HD HIS 77 -7.478 -5.072 -4.260 626 HE1 HIS 77 1HE HIS 77 -4.403 -7.474 -2.645 627 HE2 HIS 77 2HE HIS 77 -5.650 -6.840 -4.785 628 H VAL 78 H VAL 78 -7.518 -1.213 -2.419 629 HA VAL 78 HA VAL 78 -9.168 -0.138 -0.257 630 HB VAL 78 HB VAL 78 -8.446 2.065 -0.528 631 HG11 VAL 78 1HG1 VAL 78 -6.135 2.003 0.017 632 HG12 VAL 78 2HG1 VAL 78 -5.857 0.577 -0.983 633 HG13 VAL 78 3HG1 VAL 78 -6.755 0.431 0.522 634 HG21 VAL 78 3HG2 VAL 78 -6.672 2.558 -2.414 635 HG22 VAL 78 1HG2 VAL 78 -8.380 2.482 -2.838 636 HG23 VAL 78 2HG2 VAL 78 -7.335 1.101 -3.163 637 H GLU 79 H GLU 79 -10.877 1.194 -0.906 638 HA GLU 79 HA GLU 79 -11.827 0.625 -3.640 639 HB2 GLU 79 2HB GLU 79 -13.355 1.155 -1.113 640 HB3 GLU 79 1HB GLU 79 -14.089 1.210 -2.713 641 HG2 GLU 79 2HG GLU 79 -13.457 -1.022 -3.193 642 HG3 GLU 79 1HG GLU 79 -12.513 -1.189 -1.724 643 H SER 80 H SER 80 -11.812 2.158 -4.995 644 HA SER 80 HA SER 80 -11.444 4.901 -4.155 645 HB2 SER 80 2HB SER 80 -10.760 5.302 -6.310 646 HB3 SER 80 1HB SER 80 -10.219 3.661 -6.069 647 HG SER 80 HG SER 80 -12.037 2.950 -7.022 648 H LYS 81 H LYS 81 -12.711 6.360 -5.975 649 HA LYS 81 HA LYS 81 -15.436 6.295 -5.174 650 HB2 LYS 81 2HB LYS 81 -14.397 7.737 -7.597 651 HB3 LYS 81 1HB LYS 81 -15.710 8.203 -6.516 652 HG2 LYS 81 2HG LYS 81 -12.723 8.252 -5.880 653 HG3 LYS 81 1HG LYS 81 -13.804 9.611 -6.151 654 HD2 LYS 81 2HD LYS 81 -14.793 7.882 -3.986 655 HD3 LYS 81 1HD LYS 81 -13.173 8.469 -3.683 656 HE2 LYS 81 2HE LYS 81 -14.039 10.825 -4.391 657 HE3 LYS 81 1HE LYS 81 -15.623 10.051 -4.241 658 HZ1 LYS 81 3HZ LYS 81 -15.243 9.691 -1.877 659 HZ2 LYS 81 1HZ LYS 81 -14.971 11.269 -2.297 660 HZ3 LYS 81 2HZ LYS 81 -13.647 10.318 -1.979 661 H LYS 82 H LYS 82 -13.588 4.880 -7.741 662 HA LYS 82 HA LYS 82 -16.071 3.871 -9.032 663 HB2 LYS 82 2HB LYS 82 -13.530 4.762 -10.383 664 HB3 LYS 82 1HB LYS 82 -14.952 4.125 -11.194 665 HG2 LYS 82 2HG LYS 82 -15.009 6.594 -9.426 666 HG3 LYS 82 1HG LYS 82 -14.852 6.641 -11.179 667 HD2 LYS 82 2HD LYS 82 -16.979 5.906 -11.568 668 HD3 LYS 82 1HD LYS 82 -17.147 5.019 -10.073 669 HE2 LYS 82 2HE LYS 82 -16.746 7.831 -9.517 670 HE3 LYS 82 1HE LYS 82 -18.100 7.613 -10.636 671 HZ1 LYS 82 3HZ LYS 82 -18.981 5.921 -9.132 672 HZ2 LYS 82 1HZ LYS 82 -18.913 7.399 -8.343 673 HZ3 LYS 82 2HZ LYS 82 -17.753 6.173 -8.035 674 H LYS 83 H LYS 83 -12.634 3.259 -8.409 675 HA LYS 83 HA LYS 83 -13.100 0.403 -9.067 676 HB2 LYS 83 2HB LYS 83 -10.590 2.042 -9.497 677 HB3 LYS 83 1HB LYS 83 -10.738 0.310 -9.750 678 HG2 LYS 83 2HG LYS 83 -12.432 2.384 -11.196 679 HG3 LYS 83 1HG LYS 83 -10.979 1.653 -11.863 680 HD2 LYS 83 2HD LYS 83 -11.988 -0.573 -11.667 681 HD3 LYS 83 1HD LYS 83 -13.474 0.117 -11.012 682 HE2 LYS 83 2HE LYS 83 -13.750 1.450 -13.110 683 HE3 LYS 83 1HE LYS 83 -12.298 0.701 -13.744 684 HZ1 LYS 83 3HZ LYS 83 -13.709 -1.486 -13.075 685 HZ2 LYS 83 1HZ LYS 83 -13.783 -0.743 -14.587 686 HZ3 LYS 83 2HZ LYS 83 -14.954 -0.403 -13.442 687 H ILE 84 H ILE 84 -11.479 -1.039 -8.112 688 HA ILE 84 HA ILE 84 -11.001 -0.365 -5.288 689 HB ILE 84 HB ILE 84 -11.085 -3.062 -6.677 690 HG12 ILE 84 2HG1 ILE 84 -13.169 -1.860 -4.841 691 HG13 ILE 84 1HG1 ILE 84 -13.295 -1.744 -6.596 692 HG21 ILE 84 1HG2 ILE 84 -11.291 -3.889 -4.326 693 HG22 ILE 84 2HG2 ILE 84 -11.015 -2.255 -3.756 694 HG23 ILE 84 3HG2 ILE 84 -9.745 -3.105 -4.644 695 HD11 ILE 84 3HD1 ILE 84 -12.780 -4.438 -5.426 696 HD12 ILE 84 1HD1 ILE 84 -13.697 -3.952 -6.850 697 HD13 ILE 84 2HD1 ILE 84 -14.396 -3.746 -5.243 698 H ALA 85 H ALA 85 -8.887 -0.179 -4.687 699 HA ALA 85 HA ALA 85 -6.842 -0.888 -6.715 700 HB1 ALA 85 1HB ALA 85 -7.403 1.650 -5.711 701 HB2 ALA 85 2HB ALA 85 -5.958 1.160 -6.596 702 HB3 ALA 85 3HB ALA 85 -5.955 1.141 -4.840 703 H LEU 86 H LEU 86 -4.775 -1.466 -6.023 704 HA LEU 86 HA LEU 86 -4.689 -2.726 -3.362 705 HB2 LEU 86 2HB LEU 86 -4.550 -4.452 -4.929 706 HB3 LEU 86 1HB LEU 86 -3.538 -3.531 -6.023 707 HG LEU 86 HG LEU 86 -1.688 -3.633 -4.321 708 HD11 LEU 86 1HD1 LEU 86 -2.165 -4.176 -2.246 709 HD12 LEU 86 2HD1 LEU 86 -2.541 -5.824 -2.758 710 HD13 LEU 86 3HD1 LEU 86 -3.826 -4.614 -2.652 711 HD21 LEU 86 3HD2 LEU 86 -2.592 -6.456 -4.813 712 HD22 LEU 86 1HD2 LEU 86 -0.987 -5.752 -4.985 713 HD23 LEU 86 2HD2 LEU 86 -2.237 -5.422 -6.188 714 H VAL 87 H VAL 87 -3.177 -2.030 -1.980 715 HA VAL 87 HA VAL 87 -1.074 -0.222 -3.017 716 HB VAL 87 HB VAL 87 -2.361 -0.257 -0.282 717 HG11 VAL 87 1HG1 VAL 87 -0.154 0.571 -0.025 718 HG12 VAL 87 2HG1 VAL 87 -1.161 2.012 -0.171 719 HG13 VAL 87 3HG1 VAL 87 -0.215 1.460 -1.549 720 HG21 VAL 87 3HG2 VAL 87 -3.905 0.568 -2.037 721 HG22 VAL 87 1HG2 VAL 87 -2.680 1.709 -2.588 722 HG23 VAL 87 2HG2 VAL 87 -3.394 1.890 -0.993 723 H HIS 88 H HIS 88 0.963 -0.864 -2.707 724 HA HIS 88 HA HIS 88 1.498 -2.961 -0.703 725 HB2 HIS 88 2HB HIS 88 1.539 -3.899 -3.007 726 HB3 HIS 88 1HB HIS 88 2.760 -2.706 -3.432 727 HD1 HIS 88 1HD HIS 88 4.429 -4.672 -3.934 728 HD2 HIS 88 2HD HIS 88 3.253 -4.402 0.072 729 HE1 HIS 88 1HE HIS 88 6.072 -6.069 -2.583 730 HE2 HIS 88 2HE HIS 88 5.352 -5.939 -0.163 731 H LEU 89 H LEU 89 2.900 -2.344 0.797 732 HA LEU 89 HA LEU 89 4.874 -0.285 0.090 733 HB2 LEU 89 2HB LEU 89 3.077 0.686 1.457 734 HB3 LEU 89 1HB LEU 89 3.373 -0.520 2.705 735 HG LEU 89 HG LEU 89 5.731 1.081 1.758 736 HD11 LEU 89 1HD1 LEU 89 3.524 2.558 2.300 737 HD12 LEU 89 2HD1 LEU 89 5.163 3.062 2.670 738 HD13 LEU 89 3HD1 LEU 89 4.168 2.348 3.927 739 HD21 LEU 89 3HD2 LEU 89 5.111 -0.716 3.889 740 HD22 LEU 89 1HD2 LEU 89 5.358 0.882 4.608 741 HD23 LEU 89 2HD2 LEU 89 6.603 0.149 3.588 742 H GLU 90 H GLU 90 6.898 -0.705 0.580 743 HA GLU 90 HA GLU 90 7.440 -2.867 2.473 744 HB2 GLU 90 2HB GLU 90 8.900 -2.168 -0.039 745 HB3 GLU 90 1HB GLU 90 9.745 -2.961 1.277 746 HG2 GLU 90 2HG GLU 90 8.062 -4.760 1.276 747 HG3 GLU 90 1HG GLU 90 7.199 -4.028 -0.049 748 H ALA 91 H ALA 91 8.330 -2.240 4.252 749 HA ALA 91 HA ALA 91 10.010 0.153 4.216 750 HB1 ALA 91 1HB ALA 91 9.001 1.119 6.071 751 HB2 ALA 91 2HB ALA 91 8.447 -0.427 6.690 752 HB3 ALA 91 3HB ALA 91 7.600 0.325 5.352 753 H LYS 92 H LYS 92 11.694 0.164 5.895 754 HA LYS 92 HA LYS 92 11.994 -2.455 7.150 755 HB2 LYS 92 2HB LYS 92 14.452 -2.395 6.937 756 HB3 LYS 92 1HB LYS 92 13.623 -2.568 5.415 757 HG2 LYS 92 2HG LYS 92 13.881 -0.086 5.031 758 HG3 LYS 92 1HG LYS 92 14.804 0.010 6.528 759 HD2 LYS 92 2HD LYS 92 16.476 -1.536 5.684 760 HD3 LYS 92 1HD LYS 92 15.602 -1.757 4.178 761 HE2 LYS 92 2HE LYS 92 15.881 0.672 3.701 762 HE3 LYS 92 1HE LYS 92 16.801 0.847 5.196 763 HZ1 LYS 92 3HZ LYS 92 18.469 0.506 3.651 764 HZ2 LYS 92 1HZ LYS 92 17.535 -0.480 2.692 765 HZ3 LYS 92 2HZ LYS 92 18.220 -1.112 4.086 766 H GLU 93 H GLU 93 12.581 -2.574 9.187 767 HA GLU 93 HA GLU 93 12.344 -0.218 10.817 768 HB2 GLU 93 2HB GLU 93 13.209 -3.043 11.508 769 HB3 GLU 93 1HB GLU 93 12.856 -1.788 12.684 770 HG2 GLU 93 2HG GLU 93 10.522 -1.619 11.897 771 HG3 GLU 93 1HG GLU 93 10.859 -2.788 10.623 772 H SER 94 H SER 94 13.947 1.190 11.192 773 HA SER 94 HA SER 94 16.545 0.837 10.249 774 HB2 SER 94 2HB SER 94 15.921 2.800 12.447 775 HB3 SER 94 1HB SER 94 16.950 2.969 11.028 776 HG SER 94 HG SER 94 15.003 2.855 9.768 777 H LYS 95 H LYS 95 15.908 1.467 13.703 778 HA LYS 95 HA LYS 95 17.182 -1.011 14.413 779 HB2 LYS 95 2HB LYS 95 18.930 1.052 14.203 780 HB3 LYS 95 1HB LYS 95 18.383 1.328 15.842 781 HG2 LYS 95 2HG LYS 95 20.243 -0.140 16.019 782 HG3 LYS 95 1HG LYS 95 18.823 -1.139 16.298 783 HD2 LYS 95 2HD LYS 95 19.319 -1.102 13.457 784 HD3 LYS 95 1HD LYS 95 20.831 -1.468 14.259 785 HE2 LYS 95 2HE LYS 95 18.206 -2.932 14.640 786 HE3 LYS 95 1HE LYS 95 19.653 -3.559 13.849 787 HZ1 LYS 95 3HZ LYS 95 18.978 -3.562 16.585 788 HZ2 LYS 95 1HZ LYS 95 20.405 -2.690 16.413 789 HZ3 LYS 95 2HZ LYS 95 20.286 -4.275 15.841 790 H GLN 96 H GLN 96 16.650 1.982 16.195 791 HA GLN 96 HA GLN 96 14.758 0.554 17.960 792 HB2 GLN 96 2HB GLN 96 15.793 3.279 18.628 793 HB3 GLN 96 1HB GLN 96 15.363 1.949 19.679 794 HG2 GLN 96 2HG GLN 96 17.614 1.686 19.881 795 HG3 GLN 96 1HG GLN 96 17.471 0.797 18.379 796 HE21 GLN 96 1HE2 GLN 96 19.831 1.601 18.167 797 HE22 GLN 96 2HE2 GLN 96 20.073 3.121 17.466 798 H ASN 97 H ASN 97 14.630 2.187 15.231 799 HA ASN 97 HA ASN 97 12.969 4.376 15.702 800 HB2 ASN 97 2HB ASN 97 14.175 3.791 13.489 801 HB3 ASN 97 1HB ASN 97 12.765 2.755 13.202 802 HD21 ASN 97 1HD2 ASN 97 13.455 5.168 11.638 803 HD22 ASN 97 2HD2 ASN 97 12.142 6.221 11.854 804 H TYR 98 H TYR 98 10.898 4.648 15.913 805 HA TYR 98 HA TYR 98 9.169 2.594 16.796 806 HB2 TYR 98 2HB TYR 98 8.538 5.357 15.754 807 HB3 TYR 98 1HB TYR 98 7.438 4.336 16.682 808 HD1 TYR 98 1HD TYR 98 10.584 6.261 16.800 809 HD2 TYR 98 2HD TYR 98 7.745 3.985 19.090 810 HE1 TYR 98 1HE TYR 98 11.632 7.066 18.893 811 HE2 TYR 98 2HE TYR 98 8.791 4.779 21.175 812 HH TYR 98 HH TYR 98 11.746 6.021 21.351 813 H GLN 99 H GLN 99 9.471 4.360 13.731 814 HA GLN 99 HA GLN 99 7.762 2.316 12.482 815 HB2 GLN 99 2HB GLN 99 8.076 5.012 11.216 816 HB3 GLN 99 1HB GLN 99 6.741 3.891 11.092 817 HG2 GLN 99 2HG GLN 99 7.449 5.544 13.554 818 HG3 GLN 99 1HG GLN 99 6.110 5.836 12.462 819 HE21 GLN 99 1HE2 GLN 99 5.555 2.840 12.239 820 HE22 GLN 99 2HE2 GLN 99 4.802 2.448 13.708 821 HA PRO 100 HA PRO 100 11.364 1.347 10.049 822 HB2 PRO 100 2HB PRO 100 10.221 -0.173 8.164 823 HB3 PRO 100 1HB PRO 100 10.365 -0.729 9.843 824 HG2 PRO 100 2HG PRO 100 8.033 0.503 8.467 825 HG3 PRO 100 1HG PRO 100 8.074 -0.938 9.521 826 HD2 PRO 100 2HD PRO 100 7.272 1.464 10.454 827 HD3 PRO 100 1HD PRO 100 8.185 0.326 11.473 828 H ASP 101 H ASP 101 12.351 1.840 8.094 829 HA ASP 101 HA ASP 101 11.570 4.263 6.786 830 HB2 ASP 101 2HB ASP 101 13.992 3.266 7.057 831 HB3 ASP 101 1HB ASP 101 13.516 2.257 5.736 832 H PHE 102 H PHE 102 10.299 4.509 4.977 833 HA PHE 102 HA PHE 102 9.094 2.179 3.727 834 HB2 PHE 102 2HB PHE 102 9.004 5.096 2.910 835 HB3 PHE 102 1HB PHE 102 8.056 3.793 2.212 836 HD1 PHE 102 1HD PHE 102 7.115 2.216 4.415 837 HD2 PHE 102 2HD PHE 102 7.623 6.475 4.198 838 HE1 PHE 102 1HE PHE 102 5.400 2.499 6.143 839 HE2 PHE 102 2HE PHE 102 5.899 6.771 5.931 840 HZ PHE 102 HZ PHE 102 4.775 4.798 6.924 841 H ILE 103 H ILE 103 10.657 1.001 2.711 842 HA ILE 103 HA ILE 103 12.681 2.132 1.059 843 HB ILE 103 HB ILE 103 11.541 -0.655 1.263 844 HG12 ILE 103 2HG1 ILE 103 14.198 0.484 2.182 845 HG13 ILE 103 1HG1 ILE 103 12.785 0.342 3.230 846 HG21 ILE 103 1HG2 ILE 103 13.656 -1.298 0.077 847 HG22 ILE 103 2HG2 ILE 103 13.932 0.395 -0.297 848 HG23 ILE 103 3HG2 ILE 103 12.521 -0.441 -0.954 849 HD11 ILE 103 3HD1 ILE 103 13.004 -2.174 2.017 850 HD12 ILE 103 1HD1 ILE 103 13.440 -1.730 3.672 851 HD13 ILE 103 2HD1 ILE 103 14.658 -1.692 2.378 852 H ASN 104 H ASN 104 9.564 0.584 0.449 853 HA ASN 104 HA ASN 104 9.361 1.968 -2.149 854 HB2 ASN 104 2HB ASN 104 10.332 -0.334 -2.520 855 HB3 ASN 104 1HB ASN 104 8.838 -0.989 -1.860 856 HD21 ASN 104 1HD2 ASN 104 9.509 -1.567 -4.500 857 HD22 ASN 104 2HD2 ASN 104 8.447 -0.783 -5.565 858 H MET 105 H MET 105 7.186 2.117 -2.824 859 HA MET 105 HA MET 105 5.096 0.787 -1.590 860 HB2 MET 105 2HB MET 105 4.351 2.047 0.111 861 HB3 MET 105 1HB MET 105 5.892 2.878 0.067 862 HG2 MET 105 2HG MET 105 4.227 4.571 0.002 863 HG3 MET 105 1HG MET 105 4.851 4.463 -1.632 864 HE1 MET 105 3HE MET 105 2.284 3.734 0.891 865 HE2 MET 105 1HE MET 105 2.073 2.080 0.290 866 HE3 MET 105 2HE MET 105 0.805 3.268 0.068 867 H TYR 106 H TYR 106 3.537 0.604 -2.996 868 HA TYR 106 HA TYR 106 3.009 2.812 -4.837 869 HB2 TYR 106 2HB TYR 106 3.154 1.326 -6.816 870 HB3 TYR 106 1HB TYR 106 4.687 1.564 -5.986 871 HD1 TYR 106 2HD TYR 106 5.778 -0.223 -4.732 872 HD2 TYR 106 1HD TYR 106 2.001 -0.864 -6.698 873 HE1 TYR 106 2HE TYR 106 6.055 -2.660 -4.478 874 HE2 TYR 106 1HE TYR 106 2.281 -3.302 -6.425 875 HH TYR 106 HH TYR 106 4.267 -4.916 -6.147 876 H VAL 107 H VAL 107 1.145 2.558 -6.103 877 HA VAL 107 HA VAL 107 -0.943 0.923 -4.779 878 HB VAL 107 HB VAL 107 -1.150 3.550 -6.269 879 HG11 VAL 107 1HG1 VAL 107 -3.330 2.316 -4.602 880 HG12 VAL 107 2HG1 VAL 107 -3.172 1.904 -6.314 881 HG13 VAL 107 3HG1 VAL 107 -3.414 3.583 -5.816 882 HG21 VAL 107 3HG2 VAL 107 -0.188 4.109 -4.201 883 HG22 VAL 107 1HG2 VAL 107 -1.040 2.818 -3.351 884 HG23 VAL 107 2HG2 VAL 107 -1.917 4.249 -3.879 885 H ASP 108 H ASP 108 -1.768 -0.640 -6.010 886 HA ASP 108 HA ASP 108 -1.202 -0.623 -8.897 887 HB2 ASP 108 2HB ASP 108 -0.812 -2.715 -7.298 888 HB3 ASP 108 1HB ASP 108 -2.541 -2.863 -7.440 889 H VAL 109 H VAL 109 -2.702 0.610 -9.848 890 HA VAL 109 HA VAL 109 -5.480 0.406 -9.002 891 HB VAL 109 HB VAL 109 -4.244 2.339 -10.975 892 HG11 VAL 109 1HG1 VAL 109 -6.730 2.827 -9.363 893 HG12 VAL 109 2HG1 VAL 109 -6.833 1.863 -10.840 894 HG13 VAL 109 3HG1 VAL 109 -6.244 3.510 -10.909 895 HG21 VAL 109 3HG2 VAL 109 -4.867 2.782 -8.033 896 HG22 VAL 109 1HG2 VAL 109 -4.078 3.913 -9.126 897 HG23 VAL 109 2HG2 VAL 109 -3.244 2.455 -8.646 898 HA PRO 110 HA PRO 110 -6.335 -2.307 -12.462 899 HB2 PRO 110 2HB PRO 110 -9.112 -1.315 -12.101 900 HB3 PRO 110 1HB PRO 110 -8.451 -2.963 -12.142 901 HG2 PRO 110 2HG PRO 110 -9.205 -1.902 -9.840 902 HG3 PRO 110 1HG PRO 110 -7.781 -2.942 -9.942 903 HD2 PRO 110 2HD PRO 110 -7.891 0.035 -9.685 904 HD3 PRO 110 1HD PRO 110 -6.741 -1.141 -9.004 905 H GLY 111 H GLY 111 -6.586 -1.994 -14.662 906 HA2 GLY 111 2HA GLY 111 -7.014 -0.977 -16.686 907 HA3 GLY 111 1HA GLY 111 -7.993 0.197 -15.835 908 H GLU 112 H GLU 112 -5.837 1.089 -14.065 909 HA GLU 112 HA GLU 112 -4.317 2.728 -15.998 910 HB2 GLU 112 2HB GLU 112 -4.926 3.162 -13.067 911 HB3 GLU 112 1HB GLU 112 -3.907 4.214 -14.041 912 HG2 GLU 112 2HG GLU 112 -6.822 3.590 -14.592 913 HG3 GLU 112 1HG GLU 112 -6.201 5.065 -13.855 914 H LYS 113 H LYS 113 -2.075 3.367 -15.185 915 HA LYS 113 HA LYS 113 -0.606 0.955 -14.588 916 HB2 LYS 113 2HB LYS 113 0.472 3.782 -14.695 917 HB3 LYS 113 1HB LYS 113 1.360 2.276 -14.925 918 HG2 LYS 113 2HG LYS 113 -0.634 3.581 -16.796 919 HG3 LYS 113 1HG LYS 113 1.028 3.128 -17.116 920 HD2 LYS 113 2HD LYS 113 0.165 0.702 -16.514 921 HD3 LYS 113 1HD LYS 113 -1.388 1.367 -16.927 922 HE2 LYS 113 2HE LYS 113 1.036 1.195 -18.730 923 HE3 LYS 113 1HE LYS 113 -0.521 0.430 -18.967 924 HZ1 LYS 113 3HZ LYS 113 -1.476 2.784 -19.044 925 HZ2 LYS 113 1HZ LYS 113 -0.550 2.276 -20.346 926 HZ3 LYS 113 2HZ LYS 113 0.121 3.319 -19.207 927 H ARG 114 H ARG 114 0.568 0.558 -12.716 928 HA ARG 114 HA ARG 114 -0.622 1.449 -10.310 929 HB2 ARG 114 2HB ARG 114 1.471 0.423 -9.234 930 HB3 ARG 114 1HB ARG 114 0.395 -0.648 -10.114 931 HG2 ARG 114 2HG ARG 114 2.377 0.484 -11.943 932 HG3 ARG 114 1HG ARG 114 3.149 -0.225 -10.533 933 HD2 ARG 114 2HD ARG 114 1.252 -1.595 -12.436 934 HD3 ARG 114 1HD ARG 114 2.931 -2.003 -12.123 935 HE ARG 114 HE ARG 114 0.625 -2.757 -10.559 936 HH11 ARG 114 1HH2 ARG 114 4.088 -2.009 -10.335 937 HH12 ARG 114 2HH2 ARG 114 4.370 -3.145 -9.125 938 HH21 ARG 114 1HH1 ARG 114 1.053 -4.274 -8.891 939 HH22 ARG 114 2HH1 ARG 114 2.632 -4.454 -8.275 940 H TYR 115 H TYR 115 0.028 2.891 -8.794 941 HA TYR 115 HA TYR 115 1.948 4.918 -9.728 942 HB2 TYR 115 2HB TYR 115 -0.441 5.532 -9.068 943 HB3 TYR 115 1HB TYR 115 0.037 5.190 -7.407 944 HD1 TYR 115 1HD TYR 115 0.698 7.341 -10.348 945 HD2 TYR 115 2HD TYR 115 1.496 6.685 -6.174 946 HE1 TYR 115 1HE TYR 115 1.714 9.587 -10.192 947 HE2 TYR 115 2HE TYR 115 2.514 8.922 -6.017 948 HH TYR 115 HH TYR 115 2.149 11.203 -8.564 949 H TYR 116 H TYR 116 3.884 5.064 -8.775 950 HA TYR 116 HA TYR 116 4.320 3.532 -6.289 951 HB2 TYR 116 2HB TYR 116 6.257 4.709 -8.292 952 HB3 TYR 116 1HB TYR 116 6.719 3.874 -6.799 953 HD1 TYR 116 1HD TYR 116 4.766 3.457 -9.937 954 HD2 TYR 116 2HD TYR 116 6.842 1.478 -6.736 955 HE1 TYR 116 1HE TYR 116 4.514 1.321 -11.114 956 HE2 TYR 116 2HE TYR 116 6.578 -0.676 -7.909 957 HH TYR 116 HH TYR 116 6.043 -1.031 -10.949 958 H LEU 117 H LEU 117 3.599 4.807 -4.734 959 HA LEU 117 HA LEU 117 3.923 7.609 -4.609 960 HB2 LEU 117 2HB LEU 117 2.218 6.415 -3.315 961 HB3 LEU 117 1HB LEU 117 3.473 5.600 -2.406 962 HG LEU 117 HG LEU 117 4.298 7.783 -1.568 963 HD11 LEU 117 1HD1 LEU 117 2.132 8.789 -3.380 964 HD12 LEU 117 2HD1 LEU 117 3.802 9.357 -3.177 965 HD13 LEU 117 3HD1 LEU 117 2.600 9.713 -1.950 966 HD21 LEU 117 3HD2 LEU 117 2.018 6.405 -0.765 967 HD22 LEU 117 1HD2 LEU 117 1.459 8.077 -0.909 968 HD23 LEU 117 2HD2 LEU 117 2.842 7.673 0.118 969 H ILE 118 H ILE 118 5.731 4.877 -3.318 970 HA ILE 118 HA ILE 118 7.994 6.702 -2.806 971 HB ILE 118 HB ILE 118 7.198 4.236 -1.246 972 HG12 ILE 118 2HG1 ILE 118 7.287 7.162 -0.381 973 HG13 ILE 118 1HG1 ILE 118 5.824 6.313 -0.840 974 HG21 ILE 118 1HG2 ILE 118 9.617 4.397 -1.304 975 HG22 ILE 118 2HG2 ILE 118 9.085 4.995 0.266 976 HG23 ILE 118 3HG2 ILE 118 9.558 6.132 -0.985 977 HD11 ILE 118 3HD1 ILE 118 5.795 6.021 1.454 978 HD12 ILE 118 1HD1 ILE 118 7.549 5.937 1.557 979 HD13 ILE 118 2HD1 ILE 118 6.636 4.553 0.956 980 H LYS 119 H LYS 119 9.714 6.219 -4.045 981 HA LYS 119 HA LYS 119 9.650 3.719 -5.547 982 HB2 LYS 119 2HB LYS 119 11.803 5.748 -5.958 983 HB3 LYS 119 1HB LYS 119 11.003 4.725 -7.138 984 HG2 LYS 119 2HG LYS 119 9.706 7.124 -5.765 985 HG3 LYS 119 1HG LYS 119 10.374 7.091 -7.392 986 HD2 LYS 119 2HD LYS 119 8.741 4.955 -7.603 987 HD3 LYS 119 1HD LYS 119 7.839 5.866 -6.397 988 HE2 LYS 119 2HE LYS 119 8.517 6.597 -9.230 989 HE3 LYS 119 1HE LYS 119 6.976 6.724 -8.410 990 HZ1 LYS 119 3HZ LYS 119 9.230 8.578 -8.405 991 HZ2 LYS 119 1HZ LYS 119 8.394 8.453 -6.938 992 HZ3 LYS 119 2HZ LYS 119 7.573 8.859 -8.342 993 HA PRO 120 HA PRO 120 12.718 1.933 -2.847 994 HB2 PRO 120 2HB PRO 120 13.534 -0.056 -4.476 995 HB3 PRO 120 1HB PRO 120 12.011 -0.143 -3.576 996 HG2 PRO 120 2HG PRO 120 12.465 0.526 -6.439 997 HG3 PRO 120 1HG PRO 120 11.157 -0.413 -5.664 998 HD2 PRO 120 2HD PRO 120 10.839 2.153 -6.496 999 HD3 PRO 120 1HD PRO 120 9.931 1.479 -5.138 1000 H LYS 121 H LYS 121 14.893 1.992 -2.619 1001 HA LYS 121 HA LYS 121 16.274 3.894 -4.198 1002 HB2 LYS 121 2HB LYS 121 18.287 2.585 -2.804 1003 HB3 LYS 121 1HB LYS 121 17.396 3.980 -2.252 1004 HG2 LYS 121 2HG LYS 121 16.348 1.163 -1.788 1005 HG3 LYS 121 1HG LYS 121 17.474 1.893 -0.690 1006 HD2 LYS 121 2HD LYS 121 15.263 3.751 -1.287 1007 HD3 LYS 121 1HD LYS 121 14.705 2.244 -0.610 1008 HE2 LYS 121 2HE LYS 121 15.256 3.973 1.116 1009 HE3 LYS 121 1HE LYS 121 16.090 2.446 1.346 1010 HZ1 LYS 121 3HZ LYS 121 17.419 4.583 1.508 1011 HZ2 LYS 121 1HZ LYS 121 17.327 4.684 -0.166 1012 HZ3 LYS 121 2HZ LYS 121 18.106 3.362 0.584 1013 H LEU 122 H LEU 122 16.243 3.182 -6.331 1014 HA LEU 122 HA LEU 122 17.575 0.644 -6.936 1015 HB2 LEU 122 2HB LEU 122 16.016 2.513 -8.724 1016 HB3 LEU 122 1HB LEU 122 16.678 0.952 -9.203 1017 HG LEU 122 HG LEU 122 14.608 1.386 -7.017 1018 HD11 LEU 122 1HD1 LEU 122 13.098 0.183 -8.553 1019 HD12 LEU 122 2HD1 LEU 122 14.355 0.164 -9.773 1020 HD13 LEU 122 3HD1 LEU 122 13.663 1.694 -9.250 1021 HD21 LEU 122 3HD2 LEU 122 14.496 -1.200 -7.364 1022 HD22 LEU 122 1HD2 LEU 122 15.753 -0.539 -6.329 1023 HD23 LEU 122 2HD2 LEU 122 16.134 -1.034 -7.984 1024 H HIS 123 H HIS 123 19.536 0.542 -7.620 1025 HA HIS 123 HA HIS 123 20.766 2.574 -9.270 1026 HB2 HIS 123 2HB HIS 123 21.714 1.985 -6.452 1027 HB3 HIS 123 1HB HIS 123 22.782 2.622 -7.689 1028 HD1 HIS 123 1HD HIS 123 21.304 4.751 -9.094 1029 HD2 HIS 123 2HD HIS 123 20.800 4.165 -4.986 1030 HE1 HIS 123 1HE HIS 123 20.406 6.927 -8.156 1031 HE2 HIS 123 2HE HIS 123 20.086 6.579 -5.645 1032 HA PRO 124 HA PRO 124 21.451 -1.844 -10.415 1033 HB2 PRO 124 2HB PRO 124 22.729 -0.464 -12.734 1034 HB3 PRO 124 1HB PRO 124 21.548 -1.776 -12.705 1035 HG2 PRO 124 2HG PRO 124 20.759 0.619 -13.353 1036 HG3 PRO 124 1HG PRO 124 19.749 -0.361 -12.275 1037 HD2 PRO 124 2HD PRO 124 21.537 1.963 -11.531 1038 HD3 PRO 124 1HD PRO 124 19.935 1.500 -10.921 1039 H VAL 125 H VAL 125 23.819 0.709 -11.080 1040 HA VAL 125 HA VAL 125 25.810 -0.531 -9.426 1041 HB VAL 125 HB VAL 125 26.538 0.078 -12.314 1042 HG11 VAL 125 1HG1 VAL 125 28.018 -0.840 -9.878 1043 HG12 VAL 125 2HG1 VAL 125 28.529 0.237 -11.173 1044 HG13 VAL 125 3HG1 VAL 125 28.495 -1.495 -11.437 1045 HG21 VAL 125 3HG2 VAL 125 25.982 -2.576 -10.951 1046 HG22 VAL 125 1HG2 VAL 125 26.795 -2.424 -12.499 1047 HG23 VAL 125 2HG2 VAL 125 25.115 -1.921 -12.352 1048 H SER 126 H SER 126 27.057 1.064 -8.520 1049 HA SER 126 HA SER 126 27.677 3.184 -7.929 1050 HB2 SER 126 2HB SER 126 27.306 4.171 -10.720 1051 HB3 SER 126 1HB SER 126 28.629 4.475 -9.622 1052 HG SER 126 HG SER 126 28.215 2.460 -11.455 1053 H ASN 127 H ASN 127 26.925 5.674 -8.498 1054 HA ASN 127 HA ASN 127 24.324 6.161 -9.276 1055 HB2 ASN 127 2HB ASN 127 23.346 6.634 -6.899 1056 HB3 ASN 127 1HB ASN 127 23.332 5.015 -7.556 1057 HD21 ASN 127 1HD2 ASN 127 24.689 3.416 -6.579 1058 HD22 ASN 127 2HD2 ASN 127 25.530 3.680 -5.130 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.855 5.464 18.821 2 HA2 GLY 1 2HA GLY 1 -0.523 3.740 18.438 3 HA3 GLY 1 1HA GLY 1 0.086 4.724 17.115 4 H ALA 2 H ALA 2 2.833 4.418 17.529 5 HA ALA 2 HA ALA 2 3.285 1.919 16.225 6 HB1 ALA 2 1HB ALA 2 4.671 3.968 15.847 7 HB2 ALA 2 2HB ALA 2 5.610 2.517 16.196 8 HB3 ALA 2 3HB ALA 2 5.372 3.728 17.450 9 H MET 3 H MET 3 2.064 1.534 18.795 10 HA MET 3 HA MET 3 4.040 0.484 20.625 11 HB2 MET 3 2HB MET 3 1.035 0.038 20.533 12 HB3 MET 3 1HB MET 3 2.100 -0.355 21.876 13 HG2 MET 3 2HG MET 3 1.606 2.429 20.775 14 HG3 MET 3 1HG MET 3 0.997 1.782 22.291 15 HE1 MET 3 3HE MET 3 3.798 4.148 21.077 16 HE2 MET 3 1HE MET 3 3.828 4.528 22.804 17 HE3 MET 3 2HE MET 3 2.296 4.335 21.976 18 H GLY 4 H GLY 4 4.610 -0.497 18.218 19 HA2 GLY 4 2HA GLY 4 5.302 -2.657 17.490 20 HA3 GLY 4 1HA GLY 4 3.968 -3.376 18.382 21 H SER 5 H SER 5 2.313 -1.002 17.365 22 HA SER 5 HA SER 5 1.085 -2.314 15.159 23 HB2 SER 5 2HB SER 5 0.480 0.523 15.735 24 HB3 SER 5 1HB SER 5 -0.590 -0.849 15.526 25 HG SER 5 HG SER 5 -0.133 0.188 17.744 26 H GLY 6 H GLY 6 3.661 -2.028 14.370 27 HA2 GLY 6 2HA GLY 6 4.234 0.314 12.926 28 HA3 GLY 6 1HA GLY 6 4.926 -1.260 12.588 29 H ASP 7 H ASP 7 2.857 -2.788 11.769 30 HA ASP 7 HA ASP 7 2.312 -1.808 9.148 31 HB2 ASP 7 2HB ASP 7 0.491 -3.748 9.327 32 HB3 ASP 7 1HB ASP 7 2.190 -4.038 9.017 33 H THR 8 H THR 8 0.379 -1.847 12.077 34 HA THR 8 HA THR 8 -2.005 -0.831 10.918 35 HB THR 8 HB THR 8 -0.952 -0.169 13.663 36 HG1 THR 8 1HG THR 8 -1.992 -2.568 12.595 37 HG21 THR 8 3HG2 THR 8 -3.428 -0.370 14.199 38 HG22 THR 8 1HG2 THR 8 -3.717 -0.426 12.457 39 HG23 THR 8 2HG2 THR 8 -2.957 0.984 13.186 40 H GLN 9 H GLN 9 0.828 0.707 12.399 41 HA GLN 9 HA GLN 9 0.060 3.385 11.967 42 HB2 GLN 9 2HB GLN 9 2.598 1.938 12.572 43 HB3 GLN 9 1HB GLN 9 2.706 3.594 12.018 44 HG2 GLN 9 2HG GLN 9 0.714 2.958 14.143 45 HG3 GLN 9 1HG GLN 9 2.391 2.994 14.593 46 HE21 GLN 9 1HE2 GLN 9 -0.037 5.039 12.868 47 HE22 GLN 9 2HE2 GLN 9 0.681 6.505 13.290 48 H LEU 10 H LEU 10 2.150 1.175 10.167 49 HA LEU 10 HA LEU 10 2.736 3.030 8.142 50 HB2 LEU 10 2HB LEU 10 2.847 0.021 8.089 51 HB3 LEU 10 1HB LEU 10 3.443 1.059 6.801 52 HG LEU 10 HG LEU 10 4.468 0.921 9.658 53 HD11 LEU 10 1HD1 LEU 10 6.140 -0.255 8.871 54 HD12 LEU 10 2HD1 LEU 10 6.371 0.845 7.507 55 HD13 LEU 10 3HD1 LEU 10 5.194 -0.459 7.392 56 HD21 LEU 10 3HD2 LEU 10 4.621 3.155 7.687 57 HD22 LEU 10 1HD2 LEU 10 6.153 2.665 8.408 58 HD23 LEU 10 2HD2 LEU 10 4.822 3.166 9.435 59 H PHE 11 H PHE 11 0.154 0.658 8.441 60 HA PHE 11 HA PHE 11 -0.930 0.939 5.858 61 HB2 PHE 11 2HB PHE 11 -1.767 -0.767 7.259 62 HB3 PHE 11 1HB PHE 11 -2.172 0.352 8.547 63 HD1 PHE 11 1HD PHE 11 -3.098 -0.671 5.057 64 HD2 PHE 11 2HD PHE 11 -4.221 1.585 8.548 65 HE1 PHE 11 1HE PHE 11 -5.337 -0.292 4.101 66 HE2 PHE 11 2HE PHE 11 -6.467 1.955 7.581 67 HZ PHE 11 HZ PHE 11 -7.032 1.020 5.365 68 H ASN 12 H ASN 12 -1.621 2.687 8.854 69 HA ASN 12 HA ASN 12 -3.483 4.519 7.760 70 HB2 ASN 12 2HB ASN 12 -1.654 4.640 10.155 71 HB3 ASN 12 1HB ASN 12 -2.719 5.965 9.729 72 HD21 ASN 12 1HD2 ASN 12 -2.622 3.386 11.720 73 HD22 ASN 12 2HD2 ASN 12 -4.278 2.999 11.796 74 H ARG 13 H ARG 13 -0.024 4.670 8.288 75 HA ARG 13 HA ARG 13 0.397 7.296 7.312 76 HB2 ARG 13 2HB ARG 13 2.169 4.867 7.543 77 HB3 ARG 13 1HB ARG 13 2.750 6.484 7.152 78 HG2 ARG 13 2HG ARG 13 2.053 7.401 9.170 79 HG3 ARG 13 1HG ARG 13 1.054 6.038 9.643 80 HD2 ARG 13 2HD ARG 13 3.073 4.655 9.767 81 HD3 ARG 13 1HD ARG 13 4.097 6.052 9.419 82 HE ARG 13 HE ARG 13 2.692 5.419 11.907 83 HH11 ARG 13 1HH2 ARG 13 4.232 7.914 10.021 84 HH12 ARG 13 2HH2 ARG 13 4.627 8.874 11.377 85 HH21 ARG 13 1HH1 ARG 13 3.239 6.671 13.713 86 HH22 ARG 13 2HH1 ARG 13 4.069 8.154 13.490 87 H ALA 14 H ALA 14 0.681 4.088 5.813 88 HA ALA 14 HA ALA 14 1.417 4.972 3.226 89 HB1 ALA 14 1HB ALA 14 -0.069 2.450 3.961 90 HB2 ALA 14 2HB ALA 14 1.675 2.629 4.031 91 HB3 ALA 14 3HB ALA 14 0.840 2.735 2.481 92 H VAL 15 H VAL 15 -1.749 4.041 4.592 93 HA VAL 15 HA VAL 15 -3.131 4.540 2.235 94 HB VAL 15 HB VAL 15 -3.872 3.322 4.453 95 HG11 VAL 15 1HG1 VAL 15 -3.833 5.430 5.813 96 HG12 VAL 15 2HG1 VAL 15 -5.369 4.576 5.843 97 HG13 VAL 15 3HG1 VAL 15 -5.192 6.013 4.846 98 HG21 VAL 15 3HG2 VAL 15 -5.261 3.055 2.604 99 HG22 VAL 15 1HG2 VAL 15 -5.554 4.785 2.431 100 HG23 VAL 15 2HG2 VAL 15 -6.323 3.896 3.736 101 H SER 16 H SER 16 -2.232 6.627 4.970 102 HA SER 16 HA SER 16 -3.778 8.845 4.231 103 HB2 SER 16 2HB SER 16 -2.756 8.642 6.452 104 HB3 SER 16 1HB SER 16 -1.154 8.702 5.744 105 HG SER 16 HG SER 16 -3.024 10.701 5.145 106 H MET 17 H MET 17 -0.456 7.846 3.432 107 HA MET 17 HA MET 17 0.064 10.158 1.886 108 HB2 MET 17 2HB MET 17 1.403 7.443 1.704 109 HB3 MET 17 1HB MET 17 1.948 8.942 0.941 110 HG2 MET 17 2HG MET 17 1.954 9.979 3.298 111 HG3 MET 17 1HG MET 17 1.720 8.395 3.899 112 HE1 MET 17 3HE MET 17 3.054 6.553 3.989 113 HE2 MET 17 1HE MET 17 4.779 6.418 3.610 114 HE3 MET 17 2HE MET 17 3.590 6.240 2.338 115 H VAL 18 H VAL 18 -1.152 6.948 0.946 116 HA VAL 18 HA VAL 18 -1.157 7.637 -1.817 117 HB VAL 18 HB VAL 18 -2.374 5.542 -2.204 118 HG11 VAL 18 1HG1 VAL 18 -0.123 5.283 -0.183 119 HG12 VAL 18 2HG1 VAL 18 0.088 5.512 -1.919 120 HG13 VAL 18 3HG1 VAL 18 -0.651 4.038 -1.306 121 HG21 VAL 18 3HG2 VAL 18 -2.598 4.115 0.002 122 HG22 VAL 18 1HG2 VAL 18 -3.871 5.272 -0.405 123 HG23 VAL 18 2HG2 VAL 18 -2.632 5.701 0.768 124 H GLU 19 H GLU 19 -3.804 7.537 0.597 125 HA GLU 19 HA GLU 19 -5.897 8.065 -1.211 126 HB2 GLU 19 2HB GLU 19 -5.625 8.890 1.696 127 HB3 GLU 19 1HB GLU 19 -7.087 9.022 0.710 128 HG2 GLU 19 2HG GLU 19 -7.103 6.550 0.430 129 HG3 GLU 19 1HG GLU 19 -5.658 6.466 1.399 130 H LYS 20 H LYS 20 -3.584 10.083 0.391 131 HA LYS 20 HA LYS 20 -4.968 12.502 -0.423 132 HB2 LYS 20 2HB LYS 20 -2.523 12.197 1.319 133 HB3 LYS 20 1HB LYS 20 -3.543 13.627 1.167 134 HG2 LYS 20 2HG LYS 20 -4.508 10.921 2.205 135 HG3 LYS 20 1HG LYS 20 -4.124 12.310 3.205 136 HD2 LYS 20 2HD LYS 20 -6.146 13.231 2.848 137 HD3 LYS 20 1HD LYS 20 -5.991 13.124 1.117 138 HE2 LYS 20 2HE LYS 20 -7.949 11.773 1.848 139 HE3 LYS 20 1HE LYS 20 -6.700 10.801 1.150 140 HZ1 LYS 20 3HZ LYS 20 -5.908 10.574 3.654 141 HZ2 LYS 20 1HZ LYS 20 -7.141 9.577 3.075 142 HZ3 LYS 20 2HZ LYS 20 -7.520 10.944 3.956 143 H ASN 21 H ASN 21 -2.845 10.567 -1.934 144 HA ASN 21 HA ASN 21 -1.141 12.645 -3.053 145 HB2 ASN 21 2HB ASN 21 -0.296 10.285 -2.858 146 HB3 ASN 21 1HB ASN 21 -1.523 9.815 -4.035 147 HD21 ASN 21 1HD2 ASN 21 1.527 11.533 -3.682 148 HD22 ASN 21 2HD2 ASN 21 1.768 11.755 -5.343 149 H LYS 22 H LYS 22 -1.877 13.984 -4.492 150 HA LYS 22 HA LYS 22 -4.409 14.027 -5.588 151 HB2 LYS 22 2HB LYS 22 -3.648 15.766 -7.078 152 HB3 LYS 22 1HB LYS 22 -2.919 16.016 -5.500 153 HG2 LYS 22 2HG LYS 22 -1.534 14.750 -7.926 154 HG3 LYS 22 1HG LYS 22 -1.293 16.367 -7.307 155 HD2 LYS 22 2HD LYS 22 -0.646 15.246 -5.052 156 HD3 LYS 22 1HD LYS 22 -0.470 13.759 -5.976 157 HE2 LYS 22 2HE LYS 22 1.147 16.282 -6.103 158 HE3 LYS 22 1HE LYS 22 1.663 14.610 -6.017 159 HZ1 LYS 22 3HZ LYS 22 2.112 15.214 -8.148 160 HZ2 LYS 22 1HZ LYS 22 0.748 16.131 -8.373 161 HZ3 LYS 22 2HZ LYS 22 0.683 14.408 -8.427 162 H ASP 23 H ASP 23 -1.481 12.743 -7.014 163 HA ASP 23 HA ASP 23 -2.630 12.124 -9.512 164 HB2 ASP 23 2HB ASP 23 -0.171 11.388 -8.068 165 HB3 ASP 23 1HB ASP 23 -0.585 10.409 -9.428 166 H ILE 24 H ILE 24 -2.080 10.209 -6.615 167 HA ILE 24 HA ILE 24 -3.284 7.843 -7.641 168 HB ILE 24 HB ILE 24 -2.900 8.748 -4.768 169 HG12 ILE 24 2HG1 ILE 24 -1.473 6.586 -6.348 170 HG13 ILE 24 1HG1 ILE 24 -0.842 8.222 -6.240 171 HG21 ILE 24 1HG2 ILE 24 -3.194 6.170 -4.452 172 HG22 ILE 24 2HG2 ILE 24 -4.061 6.260 -5.985 173 HG23 ILE 24 3HG2 ILE 24 -4.619 7.198 -4.593 174 HD11 ILE 24 3HD1 ILE 24 -0.159 6.311 -4.481 175 HD12 ILE 24 1HD1 ILE 24 -1.619 6.900 -3.695 176 HD13 ILE 24 2HD1 ILE 24 -0.281 8.005 -4.017 177 H ARG 25 H ARG 25 -4.492 10.597 -5.798 178 HA ARG 25 HA ARG 25 -7.054 9.667 -5.254 179 HB2 ARG 25 2HB ARG 25 -6.026 12.416 -5.840 180 HB3 ARG 25 1HB ARG 25 -7.690 12.157 -5.376 181 HG2 ARG 25 2HG ARG 25 -6.971 11.024 -3.324 182 HG3 ARG 25 1HG ARG 25 -5.283 11.230 -3.723 183 HD2 ARG 25 2HD ARG 25 -5.871 13.009 -2.180 184 HD3 ARG 25 1HD ARG 25 -5.673 13.733 -3.750 185 HE ARG 25 HE ARG 25 -7.919 14.226 -3.793 186 HH11 ARG 25 1HH2 ARG 25 -7.248 11.771 -1.395 187 HH12 ARG 25 2HH2 ARG 25 -8.744 11.971 -0.577 188 HH21 ARG 25 1HH1 ARG 25 -9.947 14.478 -2.685 189 HH22 ARG 25 2HH1 ARG 25 -10.305 13.521 -1.312 190 H SER 26 H SER 26 -5.848 11.289 -8.125 191 HA SER 26 HA SER 26 -8.296 11.319 -9.533 192 HB2 SER 26 2HB SER 26 -5.431 11.296 -10.366 193 HB3 SER 26 1HB SER 26 -6.738 11.368 -11.564 194 HG SER 26 HG SER 26 -5.990 13.430 -10.966 195 H LEU 27 H LEU 27 -5.697 8.918 -9.254 196 HA LEU 27 HA LEU 27 -6.833 6.987 -11.025 197 HB2 LEU 27 2HB LEU 27 -4.940 6.615 -8.672 198 HB3 LEU 27 1HB LEU 27 -5.399 5.362 -9.811 199 HG LEU 27 HG LEU 27 -4.086 7.967 -10.621 200 HD11 LEU 27 1HD1 LEU 27 -2.595 6.499 -9.257 201 HD12 LEU 27 2HD1 LEU 27 -2.042 6.698 -10.917 202 HD13 LEU 27 3HD1 LEU 27 -2.842 5.210 -10.435 203 HD21 LEU 27 3HD2 LEU 27 -5.243 7.143 -12.534 204 HD22 LEU 27 1HD2 LEU 27 -4.966 5.466 -12.082 205 HD23 LEU 27 2HD2 LEU 27 -3.647 6.430 -12.718 206 H LEU 28 H LEU 28 -7.118 7.638 -7.591 207 HA LEU 28 HA LEU 28 -8.918 5.438 -7.095 208 HB2 LEU 28 2HB LEU 28 -8.333 7.893 -5.428 209 HB3 LEU 28 1HB LEU 28 -9.290 6.527 -4.882 210 HG LEU 28 HG LEU 28 -6.367 6.421 -5.718 211 HD11 LEU 28 1HD1 LEU 28 -7.649 6.154 -2.979 212 HD12 LEU 28 2HD1 LEU 28 -6.707 7.533 -3.537 213 HD13 LEU 28 3HD1 LEU 28 -5.940 5.961 -3.342 214 HD21 LEU 28 3HD2 LEU 28 -6.714 4.089 -4.503 215 HD22 LEU 28 1HD2 LEU 28 -7.106 4.270 -6.206 216 HD23 LEU 28 2HD2 LEU 28 -8.392 4.303 -4.991 217 H GLN 29 H GLN 29 -9.282 8.095 -8.895 218 HA GLN 29 HA GLN 29 -11.047 9.319 -9.666 219 HB2 GLN 29 2HB GLN 29 -12.722 7.096 -8.452 220 HB3 GLN 29 1HB GLN 29 -13.211 8.190 -9.750 221 HG2 GLN 29 2HG GLN 29 -10.976 6.135 -9.903 222 HG3 GLN 29 1HG GLN 29 -12.566 5.986 -10.638 223 HE21 GLN 29 1HE2 GLN 29 -9.559 6.520 -11.612 224 HE22 GLN 29 2HE2 GLN 29 -9.820 7.668 -12.833 225 H CYS 30 H CYS 30 -10.031 9.581 -6.915 226 HA CYS 30 HA CYS 30 -12.056 10.070 -5.050 227 HB2 CYS 30 2HB CYS 30 -9.478 9.846 -4.692 228 HB3 CYS 30 1HB CYS 30 -9.499 11.593 -4.948 229 HG CYS 30 HG CYS 30 -10.758 11.938 -2.806 230 H ASP 31 H ASP 31 -12.500 11.430 -7.674 231 HA ASP 31 HA ASP 31 -12.385 14.239 -7.200 232 HB2 ASP 31 2HB ASP 31 -12.621 13.190 -9.440 233 HB3 ASP 31 1HB ASP 31 -14.241 12.674 -9.016 234 H ASP 32 H ASP 32 -13.895 15.491 -6.208 235 HA ASP 32 HA ASP 32 -15.977 14.061 -4.708 236 HB2 ASP 32 2HB ASP 32 -14.774 16.805 -4.382 237 HB3 ASP 32 1HB ASP 32 -16.206 16.308 -3.511 238 H GLY 33 H GLY 33 -17.903 13.944 -5.592 239 HA2 GLY 33 2HA GLY 33 -19.919 15.112 -6.161 240 HA3 GLY 33 1HA GLY 33 -18.941 16.338 -6.940 241 H ILE 34 H ILE 34 -17.277 13.902 -8.055 242 HA ILE 34 HA ILE 34 -18.428 13.847 -10.620 243 HB ILE 34 HB ILE 34 -16.143 13.184 -10.323 244 HG12 ILE 34 2HG1 ILE 34 -17.727 10.729 -11.160 245 HG13 ILE 34 1HG1 ILE 34 -17.527 12.135 -12.181 246 HG21 ILE 34 1HG2 ILE 34 -17.199 10.804 -8.750 247 HG22 ILE 34 2HG2 ILE 34 -16.310 12.175 -8.074 248 HG23 ILE 34 3HG2 ILE 34 -15.531 11.087 -9.217 249 HD11 ILE 34 3HD1 ILE 34 -15.531 10.164 -11.225 250 HD12 ILE 34 1HD1 ILE 34 -14.994 11.798 -11.639 251 HD13 ILE 34 2HD1 ILE 34 -15.799 10.792 -12.866 252 H THR 35 H THR 35 -18.761 11.720 -7.900 253 HA THR 35 HA THR 35 -21.361 11.085 -8.824 254 HB THR 35 HB THR 35 -21.018 8.957 -9.424 255 HG1 THR 35 1HG THR 35 -20.722 8.829 -6.740 256 HG21 THR 35 3HG2 THR 35 -18.705 9.725 -9.933 257 HG22 THR 35 1HG2 THR 35 -18.859 8.002 -9.686 258 HG23 THR 35 2HG2 THR 35 -18.161 8.990 -8.415 259 H GLY 36 H GLY 36 -20.793 12.899 -7.048 260 HA2 GLY 36 2HA GLY 36 -21.364 13.549 -4.913 261 HA3 GLY 36 1HA GLY 36 -21.563 11.850 -4.455 262 H LYS 37 H LYS 37 -20.201 12.304 -2.587 263 HA LYS 37 HA LYS 37 -17.339 12.416 -3.307 264 HB2 LYS 37 2HB LYS 37 -18.622 13.170 -0.665 265 HB3 LYS 37 1HB LYS 37 -16.919 13.146 -1.030 266 HG2 LYS 37 2HG LYS 37 -17.383 15.397 -1.420 267 HG3 LYS 37 1HG LYS 37 -17.503 14.718 -3.037 268 HD2 LYS 37 2HD LYS 37 -19.383 16.160 -2.692 269 HD3 LYS 37 1HD LYS 37 -20.009 14.533 -2.738 270 HE2 LYS 37 2HE LYS 37 -21.072 15.303 -0.814 271 HE3 LYS 37 1HE LYS 37 -19.628 14.686 -0.060 272 HZ1 LYS 37 3HZ LYS 37 -19.921 17.511 -0.959 273 HZ2 LYS 37 1HZ LYS 37 -18.649 16.842 -0.065 274 HZ3 LYS 37 2HZ LYS 37 -20.198 16.968 0.609 275 H GLU 38 H GLU 38 -16.272 10.617 -2.983 276 HA GLU 38 HA GLU 38 -17.593 8.395 -1.659 277 HB2 GLU 38 2HB GLU 38 -16.548 7.847 -3.710 278 HB3 GLU 38 1HB GLU 38 -14.993 8.573 -3.209 279 HG2 GLU 38 2HG GLU 38 -14.892 6.141 -3.049 280 HG3 GLU 38 1HG GLU 38 -14.864 6.789 -1.428 281 H ARG 39 H ARG 39 -16.649 7.237 0.007 282 HA ARG 39 HA ARG 39 -14.713 8.759 1.672 283 HB2 ARG 39 2HB ARG 39 -16.538 6.500 2.574 284 HB3 ARG 39 1HB ARG 39 -15.546 7.543 3.580 285 HG2 ARG 39 2HG ARG 39 -17.915 8.460 1.918 286 HG3 ARG 39 1HG ARG 39 -17.932 8.173 3.649 287 HD2 ARG 39 2HD ARG 39 -16.143 9.903 3.939 288 HD3 ARG 39 1HD ARG 39 -16.249 10.281 2.230 289 HE ARG 39 HE ARG 39 -18.143 11.006 4.307 290 HH11 ARG 39 1HH2 ARG 39 -17.698 10.427 0.919 291 HH12 ARG 39 2HH2 ARG 39 -18.945 11.457 0.399 292 HH21 ARG 39 1HH1 ARG 39 -19.786 12.421 3.676 293 HH22 ARG 39 2HH1 ARG 39 -20.169 12.659 2.018 294 H LEU 40 H LEU 40 -12.954 8.001 0.490 295 HA LEU 40 HA LEU 40 -12.586 5.572 -0.646 296 HB2 LEU 40 2HB LEU 40 -10.316 6.937 0.819 297 HB3 LEU 40 1HB LEU 40 -10.233 5.896 -0.584 298 HG LEU 40 HG LEU 40 -11.894 7.739 -1.625 299 HD11 LEU 40 1HD1 LEU 40 -12.004 9.692 -0.505 300 HD12 LEU 40 2HD1 LEU 40 -10.255 9.781 -0.399 301 HD13 LEU 40 3HD1 LEU 40 -11.156 8.948 0.848 302 HD21 LEU 40 3HD2 LEU 40 -9.986 8.649 -2.757 303 HD22 LEU 40 1HD2 LEU 40 -9.561 6.987 -2.372 304 HD23 LEU 40 2HD2 LEU 40 -8.922 8.305 -1.395 305 H LYS 41 H LYS 41 -12.159 3.551 -0.049 306 HA LYS 41 HA LYS 41 -11.911 3.008 2.843 307 HB2 LYS 41 2HB LYS 41 -13.083 1.281 0.646 308 HB3 LYS 41 1HB LYS 41 -12.930 0.787 2.305 309 HG2 LYS 41 2HG LYS 41 -14.412 3.341 1.646 310 HG3 LYS 41 1HG LYS 41 -15.180 1.793 1.451 311 HD2 LYS 41 2HD LYS 41 -15.751 2.436 3.665 312 HD3 LYS 41 1HD LYS 41 -14.506 1.217 3.863 313 HE2 LYS 41 2HE LYS 41 -14.293 3.321 5.296 314 HE3 LYS 41 1HE LYS 41 -12.862 2.832 4.414 315 HZ1 LYS 41 3HZ LYS 41 -14.179 5.269 4.304 316 HZ2 LYS 41 1HZ LYS 41 -14.406 4.637 2.757 317 HZ3 LYS 41 2HZ LYS 41 -12.857 4.824 3.402 318 H ALA 42 H ALA 42 -10.415 1.587 3.559 319 HA ALA 42 HA ALA 42 -8.753 0.341 1.583 320 HB1 ALA 42 1HB ALA 42 -7.514 2.371 1.916 321 HB2 ALA 42 2HB ALA 42 -6.654 1.099 2.787 322 HB3 ALA 42 3HB ALA 42 -7.676 2.231 3.666 323 H TYR 43 H TYR 43 -8.240 -1.680 2.187 324 HA TYR 43 HA TYR 43 -7.975 -2.433 4.945 325 HB2 TYR 43 2HB TYR 43 -9.819 -4.139 4.753 326 HB3 TYR 43 1HB TYR 43 -10.352 -2.470 4.923 327 HD1 TYR 43 2HD TYR 43 -11.051 -1.173 2.838 328 HD2 TYR 43 1HD TYR 43 -10.340 -5.395 2.815 329 HE1 TYR 43 2HE TYR 43 -12.285 -1.354 0.722 330 HE2 TYR 43 1HE TYR 43 -11.544 -5.609 0.713 331 HH TYR 43 HH TYR 43 -13.294 -2.821 -0.691 332 H GLY 44 H GLY 44 -7.658 -4.952 5.102 333 HA2 GLY 44 2HA GLY 44 -5.578 -5.729 3.419 334 HA3 GLY 44 1HA GLY 44 -6.539 -6.769 4.466 335 H GLU 45 H GLU 45 -5.688 -7.358 1.773 336 HA GLU 45 HA GLU 45 -7.358 -6.959 -0.224 337 HB2 GLU 45 2HB GLU 45 -5.917 -9.283 0.742 338 HB3 GLU 45 1HB GLU 45 -6.856 -9.594 -0.733 339 HG2 GLU 45 2HG GLU 45 -5.467 -7.155 -1.220 340 HG3 GLU 45 1HG GLU 45 -4.332 -8.092 -0.306 341 H LEU 46 H LEU 46 -9.368 -7.559 -0.903 342 HA LEU 46 HA LEU 46 -11.279 -7.835 1.051 343 HB2 LEU 46 2HB LEU 46 -12.505 -8.727 -1.372 344 HB3 LEU 46 1HB LEU 46 -12.651 -7.184 -0.578 345 HG LEU 46 HG LEU 46 -11.897 -6.955 -2.909 346 HD11 LEU 46 1HD1 LEU 46 -11.266 -5.135 -1.739 347 HD12 LEU 46 2HD1 LEU 46 -9.744 -5.646 -2.423 348 HD13 LEU 46 3HD1 LEU 46 -10.089 -5.961 -0.725 349 HD21 LEU 46 3HD2 LEU 46 -9.863 -8.994 -2.115 350 HD22 LEU 46 1HD2 LEU 46 -9.238 -7.625 -3.042 351 HD23 LEU 46 2HD2 LEU 46 -10.544 -8.592 -3.668 352 H ILE 47 H ILE 47 -10.207 -10.403 -1.179 353 HA ILE 47 HA ILE 47 -12.071 -12.252 -0.072 354 HB ILE 47 HB ILE 47 -10.961 -13.924 -1.494 355 HG12 ILE 47 2HG1 ILE 47 -9.146 -11.640 -2.359 356 HG13 ILE 47 1HG1 ILE 47 -8.633 -12.941 -1.274 357 HG21 ILE 47 1HG2 ILE 47 -12.293 -11.510 -2.313 358 HG22 ILE 47 2HG2 ILE 47 -12.356 -13.115 -3.030 359 HG23 ILE 47 3HG2 ILE 47 -11.131 -11.972 -3.563 360 HD11 ILE 47 3HD1 ILE 47 -9.689 -13.294 -4.085 361 HD12 ILE 47 1HD1 ILE 47 -9.156 -14.588 -3.011 362 HD13 ILE 47 2HD1 ILE 47 -7.998 -13.393 -3.603 363 H THR 48 H THR 48 -9.090 -11.178 1.034 364 HA THR 48 HA THR 48 -7.878 -13.439 2.020 365 HB THR 48 HB THR 48 -7.811 -11.095 3.798 366 HG1 THR 48 1HG THR 48 -7.872 -9.803 2.086 367 HG21 THR 48 3HG2 THR 48 -5.978 -13.071 2.701 368 HG22 THR 48 1HG2 THR 48 -5.874 -12.089 4.167 369 HG23 THR 48 2HG2 THR 48 -5.336 -11.439 2.626 370 H ASN 49 H ASN 49 -9.726 -11.188 4.123 371 HA ASN 49 HA ASN 49 -10.357 -13.392 5.934 372 HB2 ASN 49 2HB ASN 49 -9.628 -11.206 6.856 373 HB3 ASN 49 1HB ASN 49 -11.082 -10.475 6.183 374 HD21 ASN 49 1HD2 ASN 49 -12.622 -10.246 7.812 375 HD22 ASN 49 2HD2 ASN 49 -12.915 -11.380 9.039 376 H ASP 50 H ASP 50 -11.849 -12.005 3.245 377 HA ASP 50 HA ASP 50 -14.502 -12.017 4.075 378 HB2 ASP 50 2HB ASP 50 -13.859 -11.088 1.920 379 HB3 ASP 50 1HB ASP 50 -13.471 -12.708 1.320 380 H LYS 51 H LYS 51 -12.564 -14.623 2.681 381 HA LYS 51 HA LYS 51 -14.650 -16.536 3.597 382 HB2 LYS 51 2HB LYS 51 -14.367 -16.431 1.151 383 HB3 LYS 51 1HB LYS 51 -12.662 -16.812 1.307 384 HG2 LYS 51 2HG LYS 51 -13.256 -19.022 2.297 385 HG3 LYS 51 1HG LYS 51 -14.962 -18.589 2.190 386 HD2 LYS 51 2HD LYS 51 -14.819 -18.377 -0.238 387 HD3 LYS 51 1HD LYS 51 -13.113 -18.777 -0.227 388 HE2 LYS 51 2HE LYS 51 -15.316 -20.601 0.793 389 HE3 LYS 51 1HE LYS 51 -14.590 -20.711 -0.796 390 HZ1 LYS 51 3HZ LYS 51 -13.566 -21.687 1.661 391 HZ2 LYS 51 1HZ LYS 51 -12.446 -20.626 0.947 392 HZ3 LYS 51 2HZ LYS 51 -13.025 -21.942 0.080 393 H TRP 52 H TRP 52 -11.601 -17.699 2.511 394 HA TRP 52 HA TRP 52 -10.641 -18.000 5.285 395 HB2 TRP 52 2HB TRP 52 -11.358 -20.192 4.093 396 HB3 TRP 52 1HB TRP 52 -9.904 -19.964 3.127 397 HD1 TRP 52 HD TRP 52 -11.051 -20.739 6.665 398 HE1 TRP 52 1HE TRP 52 -9.033 -21.544 8.036 399 HE3 TRP 52 3HE TRP 52 -7.305 -19.797 3.333 400 HZ2 TRP 52 2HZ TRP 52 -6.172 -21.760 7.746 401 HZ3 TRP 52 3HZ TRP 52 -4.958 -20.302 3.897 402 HH2 TRP 52 HH TRP 52 -4.388 -21.290 6.118 403 H THR 53 H THR 53 -9.911 -17.391 1.974 404 HA THR 53 HA THR 53 -7.338 -17.524 1.587 405 HB THR 53 HB THR 53 -8.076 -15.080 0.366 406 HG1 THR 53 1HG THR 53 -10.160 -15.277 0.746 407 HG21 THR 53 3HG2 THR 53 -6.767 -16.824 -0.693 408 HG22 THR 53 1HG2 THR 53 -8.247 -16.584 -1.608 409 HG23 THR 53 2HG2 THR 53 -8.078 -17.979 -0.533 410 H ARG 54 H ARG 54 -7.933 -16.067 4.304 411 HA ARG 54 HA ARG 54 -7.050 -13.592 4.594 412 HB2 ARG 54 2HB ARG 54 -6.448 -15.874 6.393 413 HB3 ARG 54 1HB ARG 54 -6.225 -14.174 6.827 414 HG2 ARG 54 2HG ARG 54 -8.525 -13.697 6.371 415 HG3 ARG 54 1HG ARG 54 -8.856 -15.383 5.918 416 HD2 ARG 54 2HD ARG 54 -7.876 -14.394 8.606 417 HD3 ARG 54 1HD ARG 54 -9.519 -14.885 8.225 418 HE ARG 54 HE ARG 54 -7.198 -16.618 8.622 419 HH11 ARG 54 1HH2 ARG 54 -10.473 -16.338 7.421 420 HH12 ARG 54 2HH2 ARG 54 -10.785 -18.016 7.466 421 HH21 ARG 54 1HH1 ARG 54 -7.599 -18.863 8.667 422 HH22 ARG 54 2HH1 ARG 54 -9.105 -19.495 8.182 423 H ASN 55 H ASN 55 -5.100 -15.191 2.731 424 HA ASN 55 HA ASN 55 -2.557 -15.424 3.365 425 HB2 ASN 55 2HB ASN 55 -3.884 -14.714 1.011 426 HB3 ASN 55 1HB ASN 55 -2.752 -13.436 1.233 427 HD21 ASN 55 1HD2 ASN 55 -2.946 -16.881 0.625 428 HD22 ASN 55 2HD2 ASN 55 -1.290 -17.114 0.340 429 H ARG 56 H ARG 56 -3.245 -12.087 2.259 430 HA ARG 56 HA ARG 56 -1.674 -11.155 4.561 431 HB2 ARG 56 2HB ARG 56 -1.182 -9.135 3.012 432 HB3 ARG 56 1HB ARG 56 -0.177 -10.565 2.975 433 HG2 ARG 56 2HG ARG 56 -2.425 -10.911 1.131 434 HG3 ARG 56 1HG ARG 56 -1.624 -9.397 0.818 435 HD2 ARG 56 2HD ARG 56 -0.623 -11.227 -0.489 436 HD3 ARG 56 1HD ARG 56 0.557 -10.486 0.569 437 HE ARG 56 HE ARG 56 -0.666 -13.162 0.854 438 HH11 ARG 56 1HH2 ARG 56 1.627 -10.761 2.056 439 HH12 ARG 56 2HH2 ARG 56 2.394 -11.916 3.070 440 HH21 ARG 56 1HH1 ARG 56 0.397 -14.575 2.195 441 HH22 ARG 56 2HH1 ARG 56 1.716 -14.062 3.173 442 HA PRO 57 HA PRO 57 -5.218 -8.483 5.260 443 HB2 PRO 57 2HB PRO 57 -4.812 -8.354 7.967 444 HB3 PRO 57 1HB PRO 57 -5.825 -9.572 7.163 445 HG2 PRO 57 2HG PRO 57 -3.011 -9.832 8.147 446 HG3 PRO 57 1HG PRO 57 -4.347 -10.992 8.240 447 HD2 PRO 57 2HD PRO 57 -2.425 -11.281 6.402 448 HD3 PRO 57 1HD PRO 57 -4.119 -11.680 6.046 449 H ILE 58 H ILE 58 -5.011 -6.326 6.737 450 HA ILE 58 HA ILE 58 -2.806 -4.865 5.709 451 HB ILE 58 HB ILE 58 -4.616 -4.192 8.055 452 HG12 ILE 58 2HG1 ILE 58 -4.707 -3.135 5.216 453 HG13 ILE 58 1HG1 ILE 58 -5.692 -4.497 5.765 454 HG21 ILE 58 1HG2 ILE 58 -2.831 -2.394 6.405 455 HG22 ILE 58 2HG2 ILE 58 -2.454 -2.896 8.053 456 HG23 ILE 58 3HG2 ILE 58 -3.871 -1.908 7.727 457 HD11 ILE 58 3HD1 ILE 58 -5.818 -2.232 7.601 458 HD12 ILE 58 1HD1 ILE 58 -7.130 -3.135 6.852 459 HD13 ILE 58 2HD1 ILE 58 -6.348 -1.800 5.991 460 H VAL 59 H VAL 59 -1.144 -6.420 6.351 461 HA VAL 59 HA VAL 59 -0.040 -5.746 8.991 462 HB VAL 59 HB VAL 59 0.634 -8.065 9.335 463 HG11 VAL 59 1HG1 VAL 59 -1.608 -7.250 10.155 464 HG12 VAL 59 2HG1 VAL 59 -1.525 -8.992 9.878 465 HG13 VAL 59 3HG1 VAL 59 -2.308 -7.951 8.696 466 HG21 VAL 59 3HG2 VAL 59 0.716 -8.684 6.854 467 HG22 VAL 59 1HG2 VAL 59 -1.047 -8.769 6.895 468 HG23 VAL 59 2HG2 VAL 59 -0.093 -9.856 7.878 469 H SER 60 H SER 60 2.257 -5.972 9.060 470 HA SER 60 HA SER 60 3.507 -5.983 6.379 471 HB2 SER 60 2HB SER 60 4.557 -4.761 8.956 472 HB3 SER 60 1HB SER 60 5.379 -4.818 7.413 473 HG SER 60 HG SER 60 2.793 -3.762 7.368 474 H THR 61 H THR 61 4.389 -7.927 5.967 475 HA THR 61 HA THR 61 4.790 -9.838 8.010 476 HB THR 61 HB THR 61 5.689 -11.245 6.337 477 HG1 THR 61 1HG THR 61 6.997 -9.090 5.642 478 HG21 THR 61 3HG2 THR 61 4.079 -11.196 4.680 479 HG22 THR 61 1HG2 THR 61 4.087 -9.443 4.530 480 HG23 THR 61 2HG2 THR 61 3.310 -10.213 5.914 481 H LYS 62 H LYS 62 6.317 -9.724 9.523 482 HA LYS 62 HA LYS 62 8.474 -7.837 9.278 483 HB2 LYS 62 2HB LYS 62 8.078 -9.936 11.423 484 HB3 LYS 62 1HB LYS 62 9.055 -8.471 11.506 485 HG2 LYS 62 2HG LYS 62 6.027 -8.519 11.176 486 HG3 LYS 62 1HG LYS 62 6.877 -8.202 12.676 487 HD2 LYS 62 2HD LYS 62 7.980 -6.241 11.661 488 HD3 LYS 62 1HD LYS 62 7.083 -6.498 10.160 489 HE2 LYS 62 2HE LYS 62 5.903 -5.911 12.887 490 HE3 LYS 62 1HE LYS 62 5.981 -4.818 11.525 491 HZ1 LYS 62 3HZ LYS 62 3.849 -5.671 11.269 492 HZ2 LYS 62 1HZ LYS 62 4.230 -7.140 11.922 493 HZ3 LYS 62 2HZ LYS 62 4.648 -6.847 10.337 494 H LYS 63 H LYS 63 10.166 -8.311 8.028 495 HA LYS 63 HA LYS 63 11.329 -11.020 8.258 496 HB2 LYS 63 2HB LYS 63 11.867 -9.511 5.728 497 HB3 LYS 63 1HB LYS 63 11.569 -11.206 6.008 498 HG2 LYS 63 2HG LYS 63 9.277 -9.296 6.376 499 HG3 LYS 63 1HG LYS 63 9.837 -9.735 4.784 500 HD2 LYS 63 2HD LYS 63 9.669 -12.093 6.467 501 HD3 LYS 63 1HD LYS 63 8.119 -11.290 6.334 502 HE2 LYS 63 2HE LYS 63 9.858 -11.757 3.932 503 HE3 LYS 63 1HE LYS 63 8.752 -12.974 4.517 504 HZ1 LYS 63 3HZ LYS 63 7.211 -10.651 4.437 505 HZ2 LYS 63 1HZ LYS 63 7.197 -11.934 3.353 506 HZ3 LYS 63 2HZ LYS 63 8.154 -10.605 3.015 507 H LEU 64 H LEU 64 13.014 -10.781 9.527 508 HA LEU 64 HA LEU 64 14.799 -8.472 9.118 509 HB2 LEU 64 2HB LEU 64 13.747 -8.654 11.372 510 HB3 LEU 64 1HB LEU 64 14.458 -10.247 11.553 511 HG LEU 64 HG LEU 64 16.723 -9.309 11.507 512 HD11 LEU 64 1HD1 LEU 64 16.438 -7.441 9.932 513 HD12 LEU 64 2HD1 LEU 64 16.935 -6.800 11.493 514 HD13 LEU 64 3HD1 LEU 64 15.247 -6.706 11.017 515 HD21 LEU 64 3HD2 LEU 64 16.520 -7.783 13.508 516 HD22 LEU 64 1HD2 LEU 64 15.619 -9.295 13.685 517 HD23 LEU 64 2HD2 LEU 64 14.776 -7.815 13.258 518 H ASP 65 H ASP 65 16.576 -8.969 8.052 519 HA ASP 65 HA ASP 65 17.627 -11.745 8.119 520 HB2 ASP 65 2HB ASP 65 16.298 -10.799 6.009 521 HB3 ASP 65 1HB ASP 65 17.816 -10.027 5.680 522 H LYS 66 H LYS 66 19.699 -11.380 6.458 523 HA LYS 66 HA LYS 66 21.853 -10.377 7.904 524 HB2 LYS 66 2HB LYS 66 23.114 -10.450 5.879 525 HB3 LYS 66 1HB LYS 66 21.996 -11.803 5.812 526 HG2 LYS 66 2HG LYS 66 20.990 -9.230 4.594 527 HG3 LYS 66 1HG LYS 66 22.335 -10.006 3.800 528 HD2 LYS 66 2HD LYS 66 21.172 -11.870 3.222 529 HD3 LYS 66 1HD LYS 66 20.031 -11.761 4.552 530 HE2 LYS 66 2HE LYS 66 19.115 -9.648 3.421 531 HE3 LYS 66 1HE LYS 66 20.044 -10.083 1.997 532 HZ1 LYS 66 3HZ LYS 66 18.040 -11.870 3.316 533 HZ2 LYS 66 1HZ LYS 66 18.780 -12.126 1.823 534 HZ3 LYS 66 2HZ LYS 66 17.692 -10.880 1.997 535 H GLU 67 H GLU 67 19.369 -8.730 6.278 536 HA GLU 67 HA GLU 67 20.582 -6.368 5.480 537 HB2 GLU 67 2HB GLU 67 17.756 -6.822 6.467 538 HB3 GLU 67 1HB GLU 67 18.322 -5.403 5.589 539 HG2 GLU 67 2HG GLU 67 18.462 -8.249 4.549 540 HG3 GLU 67 1HG GLU 67 17.236 -7.106 4.069 541 H GLY 68 H GLY 68 19.311 -7.459 8.588 542 HA2 GLY 68 2HA GLY 68 19.852 -6.713 10.703 543 HA3 GLY 68 1HA GLY 68 20.804 -5.418 9.980 544 H ARG 69 H ARG 69 17.880 -5.524 8.452 545 HA ARG 69 HA ARG 69 16.577 -3.641 10.327 546 HB2 ARG 69 2HB ARG 69 16.217 -3.412 7.333 547 HB3 ARG 69 1HB ARG 69 16.000 -2.205 8.581 548 HG2 ARG 69 2HG ARG 69 18.698 -3.320 7.784 549 HG3 ARG 69 1HG ARG 69 18.038 -1.827 7.144 550 HD2 ARG 69 2HD ARG 69 17.909 -0.922 9.458 551 HD3 ARG 69 1HD ARG 69 18.645 -2.382 10.069 552 HE ARG 69 HE ARG 69 19.937 -0.357 8.363 553 HH11 ARG 69 1HH2 ARG 69 20.146 -3.271 10.307 554 HH12 ARG 69 2HH2 ARG 69 21.846 -3.343 10.286 555 HH21 ARG 69 1HH1 ARG 69 22.235 -0.453 8.345 556 HH22 ARG 69 2HH1 ARG 69 23.071 -1.704 9.146 557 H THR 70 H THR 70 14.428 -4.176 10.616 558 HA THR 70 HA THR 70 13.517 -6.705 9.539 559 HB THR 70 HB THR 70 11.657 -4.804 10.900 560 HG1 THR 70 1HG THR 70 12.582 -4.912 12.718 561 HG21 THR 70 3HG2 THR 70 11.406 -7.392 10.154 562 HG22 THR 70 1HG2 THR 70 10.540 -6.655 11.493 563 HG23 THR 70 2HG2 THR 70 11.990 -7.597 11.811 564 H HIS 71 H HIS 71 12.517 -6.933 7.624 565 HA HIS 71 HA HIS 71 11.690 -4.565 6.146 566 HB2 HIS 71 2HB HIS 71 12.891 -6.737 5.237 567 HB3 HIS 71 1HB HIS 71 11.254 -7.353 5.153 568 HD1 HIS 71 1HD HIS 71 13.655 -5.402 3.242 569 HD2 HIS 71 2HD HIS 71 9.464 -5.466 3.449 570 HE1 HIS 71 1HE HIS 71 12.778 -4.305 1.133 571 HE2 HIS 71 2HE HIS 71 10.255 -4.384 1.228 572 H HIS 72 H HIS 72 9.661 -3.910 5.865 573 HA HIS 72 HA HIS 72 7.467 -5.504 7.022 574 HB2 HIS 72 2HB HIS 72 7.903 -2.562 6.542 575 HB3 HIS 72 1HB HIS 72 6.281 -3.183 6.608 576 HD1 HIS 72 1HD HIS 72 5.492 -2.437 8.853 577 HD2 HIS 72 2HD HIS 72 9.268 -4.214 9.045 578 HE1 HIS 72 1HE HIS 72 6.105 -2.582 11.314 579 HE2 HIS 72 2HE HIS 72 8.398 -3.683 11.450 580 H TYR 73 H TYR 73 6.607 -6.735 5.375 581 HA TYR 73 HA TYR 73 6.183 -5.444 2.754 582 HB2 TYR 73 2HB TYR 73 6.004 -8.379 3.530 583 HB3 TYR 73 1HB TYR 73 5.602 -7.727 1.967 584 HD1 TYR 73 2HD TYR 73 7.300 -6.904 0.425 585 HD2 TYR 73 1HD TYR 73 8.369 -8.415 4.293 586 HE1 TYR 73 2HE TYR 73 9.645 -7.027 -0.282 587 HE2 TYR 73 1HE TYR 73 10.754 -8.539 3.561 588 HH TYR 73 HH TYR 73 11.937 -6.924 1.161 589 H MET 74 H MET 74 4.333 -4.336 2.906 590 HA MET 74 HA MET 74 1.981 -5.802 3.882 591 HB2 MET 74 2HB MET 74 2.732 -4.190 5.578 592 HB3 MET 74 1HB MET 74 2.589 -2.898 4.389 593 HG2 MET 74 2HG MET 74 0.203 -3.223 4.198 594 HG3 MET 74 1HG MET 74 0.252 -4.686 5.171 595 HE1 MET 74 3HE MET 74 1.000 -0.969 4.949 596 HE2 MET 74 1HE MET 74 2.423 -1.429 5.914 597 HE3 MET 74 2HE MET 74 1.167 -0.429 6.614 598 H ARG 75 H ARG 75 0.320 -5.818 2.529 599 HA ARG 75 HA ARG 75 0.051 -3.614 0.675 600 HB2 ARG 75 2HB ARG 75 -0.870 -5.439 -1.002 601 HB3 ARG 75 1HB ARG 75 0.842 -5.032 -0.967 602 HG2 ARG 75 2HG ARG 75 1.320 -6.965 0.455 603 HG3 ARG 75 1HG ARG 75 -0.394 -7.322 0.599 604 HD2 ARG 75 2HD ARG 75 0.614 -8.799 -1.114 605 HD3 ARG 75 1HD ARG 75 -0.555 -7.720 -1.823 606 HE ARG 75 HE ARG 75 1.173 -6.595 -2.960 607 HH11 ARG 75 1HH2 ARG 75 2.476 -8.903 -0.651 608 HH12 ARG 75 2HH2 ARG 75 4.049 -8.814 -1.304 609 HH21 ARG 75 1HH1 ARG 75 3.293 -6.505 -3.771 610 HH22 ARG 75 2HH1 ARG 75 4.529 -7.459 -3.047 611 H PHE 76 H PHE 76 -2.051 -3.108 0.148 612 HA PHE 76 HA PHE 76 -4.193 -4.688 1.280 613 HB2 PHE 76 2HB PHE 76 -5.124 -2.712 2.539 614 HB3 PHE 76 1HB PHE 76 -3.682 -3.450 3.236 615 HD1 PHE 76 2HD PHE 76 -1.518 -2.296 3.152 616 HD2 PHE 76 1HD PHE 76 -5.063 -0.455 1.524 617 HE1 PHE 76 2HE PHE 76 -0.368 -0.106 3.091 618 HE2 PHE 76 1HE PHE 76 -3.906 1.714 1.470 619 HZ PHE 76 HZ PHE 76 -1.561 1.903 2.252 620 H HIS 77 H HIS 77 -6.351 -3.843 0.766 621 HA HIS 77 HA HIS 77 -6.241 -2.646 -1.897 622 HB2 HIS 77 2HB HIS 77 -8.072 -4.631 -0.637 623 HB3 HIS 77 1HB HIS 77 -8.752 -3.564 -1.842 624 HD1 HIS 77 1HD HIS 77 -6.656 -3.315 -3.916 625 HD2 HIS 77 2HD HIS 77 -7.383 -6.977 -2.049 626 HE1 HIS 77 1HE HIS 77 -5.805 -5.213 -5.484 627 HE2 HIS 77 2HE HIS 77 -6.229 -7.389 -4.265 628 H VAL 78 H VAL 78 -7.553 -0.985 -2.477 629 HA VAL 78 HA VAL 78 -9.132 0.212 -0.348 630 HB VAL 78 HB VAL 78 -8.282 2.392 -0.653 631 HG11 VAL 78 1HG1 VAL 78 -6.723 0.695 0.466 632 HG12 VAL 78 2HG1 VAL 78 -5.997 2.209 -0.076 633 HG13 VAL 78 3HG1 VAL 78 -5.788 0.738 -1.030 634 HG21 VAL 78 3HG2 VAL 78 -8.167 2.763 -2.926 635 HG22 VAL 78 1HG2 VAL 78 -7.243 1.293 -3.257 636 HG23 VAL 78 2HG2 VAL 78 -6.446 2.696 -2.523 637 H GLU 79 H GLU 79 -10.781 1.648 -1.131 638 HA GLU 79 HA GLU 79 -11.781 0.695 -3.741 639 HB2 GLU 79 2HB GLU 79 -13.158 1.693 -1.288 640 HB3 GLU 79 1HB GLU 79 -14.009 1.404 -2.810 641 HG2 GLU 79 2HG GLU 79 -13.377 -0.884 -2.825 642 HG3 GLU 79 1HG GLU 79 -12.319 -0.753 -1.439 643 H SER 80 H SER 80 -11.803 1.982 -5.385 644 HA SER 80 HA SER 80 -11.795 4.939 -5.086 645 HB2 SER 80 2HB SER 80 -11.328 4.976 -7.464 646 HB3 SER 80 1HB SER 80 -10.237 3.803 -6.746 647 HG SER 80 HG SER 80 -11.672 2.200 -7.390 648 H LYS 81 H LYS 81 -13.161 5.796 -7.081 649 HA LYS 81 HA LYS 81 -15.878 5.512 -6.257 650 HB2 LYS 81 2HB LYS 81 -14.865 6.568 -8.930 651 HB3 LYS 81 1HB LYS 81 -16.429 6.824 -8.190 652 HG2 LYS 81 2HG LYS 81 -13.821 7.778 -7.008 653 HG3 LYS 81 1HG LYS 81 -15.016 8.774 -7.885 654 HD2 LYS 81 2HD LYS 81 -16.590 7.621 -5.993 655 HD3 LYS 81 1HD LYS 81 -15.060 7.607 -5.173 656 HE2 LYS 81 2HE LYS 81 -16.380 10.068 -6.327 657 HE3 LYS 81 1HE LYS 81 -16.082 9.730 -4.602 658 HZ1 LYS 81 3HZ LYS 81 -13.908 10.283 -4.879 659 HZ2 LYS 81 1HZ LYS 81 -14.648 11.280 -6.001 660 HZ3 LYS 81 2HZ LYS 81 -13.872 9.905 -6.578 661 H LYS 82 H LYS 82 -13.856 4.033 -8.705 662 HA LYS 82 HA LYS 82 -16.175 2.498 -9.718 663 HB2 LYS 82 2HB LYS 82 -13.686 3.392 -11.184 664 HB3 LYS 82 1HB LYS 82 -15.013 2.473 -11.877 665 HG2 LYS 82 2HG LYS 82 -15.357 5.198 -10.587 666 HG3 LYS 82 1HG LYS 82 -15.179 4.968 -12.310 667 HD2 LYS 82 2HD LYS 82 -17.310 4.334 -12.568 668 HD3 LYS 82 1HD LYS 82 -17.281 3.186 -11.236 669 HE2 LYS 82 2HE LYS 82 -17.232 5.940 -10.251 670 HE3 LYS 82 1HE LYS 82 -18.582 5.685 -11.352 671 HZ1 LYS 82 3HZ LYS 82 -19.249 5.146 -9.198 672 HZ2 LYS 82 1HZ LYS 82 -17.930 4.149 -8.896 673 HZ3 LYS 82 2HZ LYS 82 -19.144 3.678 -10.023 674 H LYS 83 H LYS 83 -12.846 2.210 -8.603 675 HA LYS 83 HA LYS 83 -13.131 -0.720 -8.791 676 HB2 LYS 83 2HB LYS 83 -10.750 0.840 -9.818 677 HB3 LYS 83 1HB LYS 83 -10.863 -0.918 -9.642 678 HG2 LYS 83 2HG LYS 83 -12.778 0.714 -11.348 679 HG3 LYS 83 1HG LYS 83 -11.361 -0.111 -11.968 680 HD2 LYS 83 2HD LYS 83 -12.177 -2.247 -11.481 681 HD3 LYS 83 1HD LYS 83 -13.409 -1.695 -10.367 682 HE2 LYS 83 2HE LYS 83 -13.606 -0.603 -13.113 683 HE3 LYS 83 1HE LYS 83 -13.888 -2.336 -12.953 684 HZ1 LYS 83 3HZ LYS 83 -15.721 -2.000 -11.592 685 HZ2 LYS 83 1HZ LYS 83 -15.826 -0.626 -12.562 686 HZ3 LYS 83 2HZ LYS 83 -15.163 -0.543 -11.003 687 H ILE 84 H ILE 84 -11.556 -1.929 -7.650 688 HA ILE 84 HA ILE 84 -10.910 -0.641 -5.101 689 HB ILE 84 HB ILE 84 -10.936 -3.571 -5.904 690 HG12 ILE 84 2HG1 ILE 84 -12.914 -2.071 -4.187 691 HG13 ILE 84 1HG1 ILE 84 -13.182 -2.314 -5.908 692 HG21 ILE 84 1HG2 ILE 84 -10.725 -4.036 -3.578 693 HG22 ILE 84 2HG2 ILE 84 -10.938 -2.351 -3.136 694 HG23 ILE 84 3HG2 ILE 84 -9.449 -2.873 -3.932 695 HD11 ILE 84 3HD1 ILE 84 -14.187 -4.006 -4.236 696 HD12 ILE 84 1HD1 ILE 84 -12.539 -4.647 -4.119 697 HD13 ILE 84 2HD1 ILE 84 -13.370 -4.602 -5.681 698 H ALA 85 H ALA 85 -8.862 0.006 -4.881 699 HA ALA 85 HA ALA 85 -6.850 -0.874 -6.831 700 HB1 ALA 85 1HB ALA 85 -5.987 1.177 -6.670 701 HB2 ALA 85 2HB ALA 85 -5.892 1.098 -4.920 702 HB3 ALA 85 3HB ALA 85 -7.386 1.625 -5.698 703 H LEU 86 H LEU 86 -4.609 -1.172 -6.048 704 HA LEU 86 HA LEU 86 -4.556 -2.654 -3.477 705 HB2 LEU 86 2HB LEU 86 -4.229 -4.197 -5.420 706 HB3 LEU 86 1HB LEU 86 -2.991 -3.100 -5.992 707 HG LEU 86 HG LEU 86 -1.606 -3.515 -3.999 708 HD11 LEU 86 1HD1 LEU 86 -4.055 -4.978 -3.158 709 HD12 LEU 86 2HD1 LEU 86 -2.851 -4.101 -2.205 710 HD13 LEU 86 3HD1 LEU 86 -2.503 -5.726 -2.780 711 HD21 LEU 86 3HD2 LEU 86 -2.517 -6.115 -5.262 712 HD22 LEU 86 1HD2 LEU 86 -0.946 -5.778 -4.545 713 HD23 LEU 86 2HD2 LEU 86 -1.423 -4.982 -6.051 714 H VAL 87 H VAL 87 -3.164 -1.880 -2.009 715 HA VAL 87 HA VAL 87 -1.092 0.008 -2.958 716 HB VAL 87 HB VAL 87 -2.436 -0.119 -0.254 717 HG11 VAL 87 1HG1 VAL 87 -1.291 2.240 -0.170 718 HG12 VAL 87 2HG1 VAL 87 -0.252 1.590 -1.437 719 HG13 VAL 87 3HG1 VAL 87 -0.324 0.801 0.139 720 HG21 VAL 87 3HG2 VAL 87 -3.955 0.701 -2.055 721 HG22 VAL 87 1HG2 VAL 87 -2.767 1.924 -2.494 722 HG23 VAL 87 2HG2 VAL 87 -3.560 1.993 -0.923 723 H HIS 88 H HIS 88 0.935 -0.620 -2.636 724 HA HIS 88 HA HIS 88 1.468 -2.837 -0.749 725 HB2 HIS 88 2HB HIS 88 1.652 -3.615 -3.076 726 HB3 HIS 88 1HB HIS 88 2.725 -2.272 -3.442 727 HD1 HIS 88 1HD HIS 88 4.233 -4.558 -4.138 728 HD2 HIS 88 2HD HIS 88 3.869 -3.649 -0.062 729 HE1 HIS 88 1HE HIS 88 6.122 -5.737 -2.947 730 HE2 HIS 88 2HE HIS 88 5.949 -5.190 -0.509 731 H LEU 89 H LEU 89 2.703 -2.201 0.888 732 HA LEU 89 HA LEU 89 4.600 0.037 0.449 733 HB2 LEU 89 2HB LEU 89 2.741 0.660 1.961 734 HB3 LEU 89 1HB LEU 89 3.110 -0.746 2.957 735 HG LEU 89 HG LEU 89 5.514 0.266 3.181 736 HD11 LEU 89 1HD1 LEU 89 5.841 1.950 1.764 737 HD12 LEU 89 2HD1 LEU 89 5.097 2.903 3.046 738 HD13 LEU 89 3HD1 LEU 89 4.134 2.393 1.679 739 HD21 LEU 89 3HD2 LEU 89 3.363 0.415 4.802 740 HD22 LEU 89 1HD2 LEU 89 3.593 2.142 4.472 741 HD23 LEU 89 2HD2 LEU 89 4.905 1.185 5.152 742 H GLU 90 H GLU 90 6.687 -0.411 0.798 743 HA GLU 90 HA GLU 90 7.260 -2.597 2.623 744 HB2 GLU 90 2HB GLU 90 8.733 -1.945 0.102 745 HB3 GLU 90 1HB GLU 90 9.469 -2.849 1.422 746 HG2 GLU 90 2HG GLU 90 7.679 -4.486 1.347 747 HG3 GLU 90 1HG GLU 90 6.875 -3.639 0.048 748 H ALA 91 H ALA 91 8.038 -1.948 4.357 749 HA ALA 91 HA ALA 91 9.894 0.319 4.350 750 HB1 ALA 91 1HB ALA 91 8.869 1.351 6.127 751 HB2 ALA 91 2HB ALA 91 8.305 -0.165 6.816 752 HB3 ALA 91 3HB ALA 91 7.440 0.561 5.462 753 H LYS 92 H LYS 92 11.441 0.199 6.108 754 HA LYS 92 HA LYS 92 11.713 -2.537 7.111 755 HB2 LYS 92 2HB LYS 92 14.112 -2.469 6.924 756 HB3 LYS 92 1HB LYS 92 13.424 -2.108 5.343 757 HG2 LYS 92 2HG LYS 92 13.710 0.277 5.759 758 HG3 LYS 92 1HG LYS 92 14.449 -0.026 7.336 759 HD2 LYS 92 2HD LYS 92 16.259 -1.331 6.139 760 HD3 LYS 92 1HD LYS 92 15.513 -0.883 4.618 761 HE2 LYS 92 2HE LYS 92 17.326 0.662 5.089 762 HE3 LYS 92 1HE LYS 92 15.782 1.501 5.162 763 HZ1 LYS 92 3HZ LYS 92 16.610 0.415 7.727 764 HZ2 LYS 92 1HZ LYS 92 16.075 1.979 7.360 765 HZ3 LYS 92 2HZ LYS 92 17.675 1.525 7.096 766 H GLU 93 H GLU 93 12.030 -2.708 9.255 767 HA GLU 93 HA GLU 93 11.858 -0.361 10.938 768 HB2 GLU 93 2HB GLU 93 12.686 -3.207 11.613 769 HB3 GLU 93 1HB GLU 93 12.299 -1.962 12.774 770 HG2 GLU 93 2HG GLU 93 9.939 -1.827 11.918 771 HG3 GLU 93 1HG GLU 93 10.351 -3.015 10.697 772 H SER 94 H SER 94 13.547 1.024 11.013 773 HA SER 94 HA SER 94 16.006 0.433 9.923 774 HB2 SER 94 2HB SER 94 15.669 2.571 12.031 775 HB3 SER 94 1HB SER 94 16.675 2.563 10.591 776 HG SER 94 HG SER 94 14.950 3.016 9.375 777 H LYS 95 H LYS 95 15.804 1.355 13.343 778 HA LYS 95 HA LYS 95 16.864 -1.189 14.102 779 HB2 LYS 95 2HB LYS 95 18.836 0.491 13.490 780 HB3 LYS 95 1HB LYS 95 18.544 1.068 15.123 781 HG2 LYS 95 2HG LYS 95 20.127 -0.679 15.376 782 HG3 LYS 95 1HG LYS 95 18.593 -1.405 15.843 783 HD2 LYS 95 2HD LYS 95 18.710 -1.790 13.065 784 HD3 LYS 95 1HD LYS 95 20.355 -2.063 13.626 785 HE2 LYS 95 2HE LYS 95 19.462 -3.568 15.419 786 HE3 LYS 95 1HE LYS 95 17.867 -3.416 14.696 787 HZ1 LYS 95 3HZ LYS 95 18.974 -4.259 12.548 788 HZ2 LYS 95 1HZ LYS 95 18.804 -5.371 13.808 789 HZ3 LYS 95 2HZ LYS 95 20.287 -4.651 13.527 790 H GLN 96 H GLN 96 16.932 1.954 15.640 791 HA GLN 96 HA GLN 96 15.399 0.872 17.906 792 HB2 GLN 96 2HB GLN 96 16.724 3.570 17.676 793 HB3 GLN 96 1HB GLN 96 16.188 2.760 19.138 794 HG2 GLN 96 2HG GLN 96 18.234 1.843 19.333 795 HG3 GLN 96 1HG GLN 96 17.920 0.902 17.885 796 HE21 GLN 96 1HE2 GLN 96 19.848 1.098 16.724 797 HE22 GLN 96 2HE2 GLN 96 20.581 2.570 16.327 798 H ASN 97 H ASN 97 15.112 3.000 15.199 799 HA ASN 97 HA ASN 97 13.200 4.776 16.126 800 HB2 ASN 97 2HB ASN 97 14.367 4.892 13.850 801 HB3 ASN 97 1HB ASN 97 13.162 3.706 13.329 802 HD21 ASN 97 1HD2 ASN 97 13.300 6.433 12.243 803 HD22 ASN 97 2HD2 ASN 97 11.857 7.188 12.687 804 H TYR 98 H TYR 98 11.125 4.785 16.336 805 HA TYR 98 HA TYR 98 9.620 2.380 16.661 806 HB2 TYR 98 2HB TYR 98 8.742 5.284 16.550 807 HB3 TYR 98 1HB TYR 98 7.770 3.935 17.136 808 HD1 TYR 98 1HD TYR 98 10.824 5.935 17.769 809 HD2 TYR 98 2HD TYR 98 8.184 2.890 19.291 810 HE1 TYR 98 1HE TYR 98 11.917 6.084 19.967 811 HE2 TYR 98 2HE TYR 98 9.283 3.040 21.493 812 HH TYR 98 HH TYR 98 11.965 5.345 22.037 813 H GLN 99 H GLN 99 9.998 4.881 14.251 814 HA GLN 99 HA GLN 99 8.011 3.662 12.494 815 HB2 GLN 99 2HB GLN 99 9.635 6.175 12.116 816 HB3 GLN 99 1HB GLN 99 8.306 5.654 11.096 817 HG2 GLN 99 2HG GLN 99 8.045 6.254 14.073 818 HG3 GLN 99 1HG GLN 99 7.612 7.374 12.793 819 HE21 GLN 99 1HE2 GLN 99 6.420 5.491 10.967 820 HE22 GLN 99 2HE2 GLN 99 4.990 4.915 11.687 821 HA PRO 100 HA PRO 100 11.466 1.637 10.346 822 HB2 PRO 100 2HB PRO 100 10.000 0.335 8.518 823 HB3 PRO 100 1HB PRO 100 10.020 -0.193 10.212 824 HG2 PRO 100 2HG PRO 100 7.986 1.440 8.781 825 HG3 PRO 100 1HG PRO 100 7.773 0.082 9.922 826 HD2 PRO 100 2HD PRO 100 7.496 2.677 10.684 827 HD3 PRO 100 1HD PRO 100 8.084 1.414 11.796 828 H ASP 101 H ASP 101 12.488 1.899 8.304 829 HA ASP 101 HA ASP 101 11.960 4.360 6.860 830 HB2 ASP 101 2HB ASP 101 13.841 2.061 6.325 831 HB3 ASP 101 1HB ASP 101 13.810 3.514 5.358 832 H PHE 102 H PHE 102 10.962 4.537 4.804 833 HA PHE 102 HA PHE 102 9.495 2.167 3.873 834 HB2 PHE 102 2HB PHE 102 9.417 5.015 2.806 835 HB3 PHE 102 1HB PHE 102 8.389 3.667 2.361 836 HD1 PHE 102 1HD PHE 102 6.924 2.588 4.102 837 HD2 PHE 102 2HD PHE 102 8.929 6.322 4.759 838 HE1 PHE 102 1HE PHE 102 5.366 3.090 5.934 839 HE2 PHE 102 2HE PHE 102 7.376 6.842 6.610 840 HZ PHE 102 HZ PHE 102 5.586 5.237 7.214 841 H ILE 103 H ILE 103 10.881 0.848 2.756 842 HA ILE 103 HA ILE 103 12.968 1.836 1.084 843 HB ILE 103 HB ILE 103 11.725 -0.910 1.283 844 HG12 ILE 103 2HG1 ILE 103 14.472 0.089 2.133 845 HG13 ILE 103 1HG1 ILE 103 13.105 0.013 3.237 846 HG21 ILE 103 1HG2 ILE 103 13.881 -1.571 0.005 847 HG22 ILE 103 2HG2 ILE 103 13.997 0.132 -0.417 848 HG23 ILE 103 3HG2 ILE 103 12.602 -0.799 -0.929 849 HD11 ILE 103 3HD1 ILE 103 14.719 -2.008 3.184 850 HD12 ILE 103 1HD1 ILE 103 13.951 -2.415 1.657 851 HD13 ILE 103 2HD1 ILE 103 12.992 -2.342 3.128 852 H ASN 104 H ASN 104 9.734 0.544 0.421 853 HA ASN 104 HA ASN 104 9.664 1.843 -2.235 854 HB2 ASN 104 2HB ASN 104 10.643 -0.454 -2.467 855 HB3 ASN 104 1HB ASN 104 9.120 -1.096 -1.859 856 HD21 ASN 104 1HD2 ASN 104 9.915 -1.730 -4.437 857 HD22 ASN 104 2HD2 ASN 104 8.909 -1.001 -5.583 858 H MET 105 H MET 105 7.457 1.914 -3.005 859 HA MET 105 HA MET 105 5.374 0.588 -1.819 860 HB2 MET 105 2HB MET 105 4.494 1.804 -0.175 861 HB3 MET 105 1HB MET 105 6.055 2.635 -0.104 862 HG2 MET 105 2HG MET 105 4.415 4.312 -0.169 863 HG3 MET 105 1HG MET 105 5.016 4.256 -1.823 864 HE1 MET 105 3HE MET 105 2.495 3.580 0.736 865 HE2 MET 105 1HE MET 105 2.233 1.910 0.191 866 HE3 MET 105 2HE MET 105 1.000 3.133 -0.059 867 H TYR 106 H TYR 106 3.658 0.530 -3.117 868 HA TYR 106 HA TYR 106 3.202 2.723 -4.953 869 HB2 TYR 106 2HB TYR 106 3.238 1.265 -6.964 870 HB3 TYR 106 1HB TYR 106 4.799 1.440 -6.171 871 HD1 TYR 106 2HD TYR 106 5.766 -0.391 -4.829 872 HD2 TYR 106 1HD TYR 106 2.080 -0.881 -6.999 873 HE1 TYR 106 2HE TYR 106 5.950 -2.831 -4.597 874 HE2 TYR 106 1HE TYR 106 2.271 -3.324 -6.764 875 HH TYR 106 HH TYR 106 4.751 -4.930 -6.278 876 H VAL 107 H VAL 107 1.338 2.475 -6.280 877 HA VAL 107 HA VAL 107 -0.801 0.970 -4.901 878 HB VAL 107 HB VAL 107 -0.781 3.721 -6.158 879 HG11 VAL 107 1HG1 VAL 107 -3.133 2.034 -5.299 880 HG12 VAL 107 2HG1 VAL 107 -2.834 2.794 -6.871 881 HG13 VAL 107 3HG1 VAL 107 -3.195 3.793 -5.469 882 HG21 VAL 107 3HG2 VAL 107 -1.925 3.945 -3.685 883 HG22 VAL 107 1HG2 VAL 107 -0.209 4.173 -3.992 884 HG23 VAL 107 2HG2 VAL 107 -0.795 2.628 -3.396 885 H ASP 108 H ASP 108 -1.881 -0.414 -6.136 886 HA ASP 108 HA ASP 108 -1.467 -0.395 -9.067 887 HB2 ASP 108 2HB ASP 108 -1.183 -2.604 -7.422 888 HB3 ASP 108 1HB ASP 108 -2.898 -2.538 -7.689 889 H VAL 109 H VAL 109 -3.068 0.543 -10.175 890 HA VAL 109 HA VAL 109 -5.769 0.408 -9.051 891 HB VAL 109 HB VAL 109 -4.626 2.441 -10.982 892 HG11 VAL 109 1HG1 VAL 109 -6.767 3.657 -10.515 893 HG12 VAL 109 2HG1 VAL 109 -7.349 2.262 -9.615 894 HG13 VAL 109 3HG1 VAL 109 -7.037 2.133 -11.342 895 HG21 VAL 109 3HG2 VAL 109 -3.846 3.467 -9.138 896 HG22 VAL 109 1HG2 VAL 109 -4.533 2.231 -8.092 897 HG23 VAL 109 2HG2 VAL 109 -5.496 3.627 -8.545 898 HA PRO 110 HA PRO 110 -6.473 -2.444 -12.433 899 HB2 PRO 110 2HB PRO 110 -9.315 -1.638 -12.024 900 HB3 PRO 110 1HB PRO 110 -8.595 -3.262 -12.085 901 HG2 PRO 110 2HG PRO 110 -9.315 -2.280 -9.766 902 HG3 PRO 110 1HG PRO 110 -7.775 -3.136 -9.908 903 HD2 PRO 110 2HD PRO 110 -8.227 -0.181 -9.721 904 HD3 PRO 110 1HD PRO 110 -6.947 -1.199 -9.002 905 H GLY 111 H GLY 111 -6.637 -2.161 -14.632 906 HA2 GLY 111 2HA GLY 111 -6.981 -1.184 -16.684 907 HA3 GLY 111 1HA GLY 111 -8.221 -0.187 -15.960 908 H GLU 112 H GLU 112 -5.921 0.607 -13.947 909 HA GLU 112 HA GLU 112 -4.823 2.715 -15.653 910 HB2 GLU 112 2HB GLU 112 -5.537 2.638 -12.756 911 HB3 GLU 112 1HB GLU 112 -4.358 3.826 -13.346 912 HG2 GLU 112 2HG GLU 112 -7.152 3.469 -14.451 913 HG3 GLU 112 1HG GLU 112 -6.733 4.686 -13.277 914 H LYS 113 H LYS 113 -2.737 3.616 -14.687 915 HA LYS 113 HA LYS 113 -0.781 1.473 -14.835 916 HB2 LYS 113 2HB LYS 113 -0.394 4.462 -14.484 917 HB3 LYS 113 1HB LYS 113 0.862 3.256 -14.720 918 HG2 LYS 113 2HG LYS 113 0.498 4.094 -16.895 919 HG3 LYS 113 1HG LYS 113 -0.376 2.577 -16.888 920 HD2 LYS 113 2HD LYS 113 -2.031 4.838 -15.954 921 HD3 LYS 113 1HD LYS 113 -1.398 5.066 -17.574 922 HE2 LYS 113 2HE LYS 113 -2.311 2.981 -18.353 923 HE3 LYS 113 1HE LYS 113 -2.789 2.484 -16.768 924 HZ1 LYS 113 3HZ LYS 113 -4.296 4.507 -16.680 925 HZ2 LYS 113 1HZ LYS 113 -4.730 3.380 -17.862 926 HZ3 LYS 113 2HZ LYS 113 -3.907 4.764 -18.303 927 H ARG 114 H ARG 114 0.746 1.040 -13.380 928 HA ARG 114 HA ARG 114 -0.056 1.052 -10.620 929 HB2 ARG 114 2HB ARG 114 1.873 -0.239 -10.226 930 HB3 ARG 114 1HB ARG 114 1.385 -0.698 -11.852 931 HG2 ARG 114 2HG ARG 114 2.982 1.119 -12.692 932 HG3 ARG 114 1HG ARG 114 3.621 1.177 -11.052 933 HD2 ARG 114 2HD ARG 114 3.973 -1.372 -11.237 934 HD3 ARG 114 1HD ARG 114 3.557 -1.138 -12.936 935 HE ARG 114 HE ARG 114 6.080 -0.499 -11.711 936 HH11 ARG 114 1HH2 ARG 114 3.834 0.357 -14.220 937 HH12 ARG 114 2HH2 ARG 114 4.982 1.124 -15.222 938 HH21 ARG 114 1HH1 ARG 114 7.682 0.494 -13.054 939 HH22 ARG 114 2HH1 ARG 114 7.213 1.181 -14.534 940 H TYR 115 H TYR 115 0.511 2.487 -9.058 941 HA TYR 115 HA TYR 115 2.203 4.778 -9.892 942 HB2 TYR 115 2HB TYR 115 -0.123 5.348 -9.418 943 HB3 TYR 115 1HB TYR 115 -0.001 4.605 -7.831 944 HD1 TYR 115 1HD TYR 115 1.107 7.429 -9.938 945 HD2 TYR 115 2HD TYR 115 1.203 5.678 -6.020 946 HE1 TYR 115 1HE TYR 115 2.004 9.538 -9.020 947 HE2 TYR 115 2HE TYR 115 2.095 7.790 -5.098 948 HH TYR 115 HH TYR 115 1.909 10.619 -6.625 949 H TYR 116 H TYR 116 4.117 5.034 -8.882 950 HA TYR 116 HA TYR 116 4.544 3.527 -6.384 951 HB2 TYR 116 2HB TYR 116 6.430 4.476 -8.526 952 HB3 TYR 116 1HB TYR 116 6.993 4.199 -6.881 953 HD1 TYR 116 1HD TYR 116 5.007 2.514 -9.575 954 HD2 TYR 116 2HD TYR 116 7.565 2.073 -6.146 955 HE1 TYR 116 1HE TYR 116 5.058 0.071 -9.915 956 HE2 TYR 116 2HE TYR 116 7.614 -0.361 -6.493 957 HH TYR 116 HH TYR 116 5.789 -2.041 -7.732 958 H LEU 117 H LEU 117 3.787 4.750 -4.860 959 HA LEU 117 HA LEU 117 4.164 7.560 -4.600 960 HB2 LEU 117 2HB LEU 117 2.366 6.382 -3.420 961 HB3 LEU 117 1HB LEU 117 3.549 5.443 -2.533 962 HG LEU 117 HG LEU 117 4.434 7.514 -1.487 963 HD11 LEU 117 1HD1 LEU 117 2.237 8.889 -3.062 964 HD12 LEU 117 2HD1 LEU 117 3.984 9.131 -3.236 965 HD13 LEU 117 3HD1 LEU 117 3.174 9.614 -1.761 966 HD21 LEU 117 3HD2 LEU 117 2.900 7.373 0.112 967 HD22 LEU 117 1HD2 LEU 117 2.036 6.224 -0.901 968 HD23 LEU 117 2HD2 LEU 117 1.581 7.921 -0.939 969 H ILE 118 H ILE 118 5.849 4.696 -3.381 970 HA ILE 118 HA ILE 118 8.147 6.412 -2.693 971 HB ILE 118 HB ILE 118 7.206 3.926 -1.231 972 HG12 ILE 118 2HG1 ILE 118 7.441 6.801 -0.282 973 HG13 ILE 118 1HG1 ILE 118 5.926 6.068 -0.786 974 HG21 ILE 118 1HG2 ILE 118 9.081 4.432 0.312 975 HG22 ILE 118 2HG2 ILE 118 9.591 5.741 -0.732 976 HG23 ILE 118 3HG2 ILE 118 9.685 4.071 -1.301 977 HD11 ILE 118 3HD1 ILE 118 5.716 5.485 1.396 978 HD12 ILE 118 1HD1 ILE 118 7.428 5.747 1.705 979 HD13 ILE 118 2HD1 ILE 118 6.884 4.214 1.023 980 H LYS 119 H LYS 119 9.948 5.898 -3.697 981 HA LYS 119 HA LYS 119 9.867 3.645 -5.519 982 HB2 LYS 119 2HB LYS 119 12.104 5.630 -5.370 983 HB3 LYS 119 1HB LYS 119 11.538 4.725 -6.768 984 HG2 LYS 119 2HG LYS 119 9.989 6.959 -5.378 985 HG3 LYS 119 1HG LYS 119 10.847 7.096 -6.898 986 HD2 LYS 119 2HD LYS 119 9.374 5.074 -7.671 987 HD3 LYS 119 1HD LYS 119 8.338 5.537 -6.316 988 HE2 LYS 119 2HE LYS 119 9.235 7.601 -8.340 989 HE3 LYS 119 1HE LYS 119 7.854 6.570 -8.653 990 HZ1 LYS 119 3HZ LYS 119 7.322 8.712 -7.569 991 HZ2 LYS 119 1HZ LYS 119 8.085 8.183 -6.159 992 HZ3 LYS 119 2HZ LYS 119 6.727 7.351 -6.784 993 HA PRO 120 HA PRO 120 12.519 1.088 -3.039 994 HB2 PRO 120 2HB PRO 120 13.225 -0.626 -4.944 995 HB3 PRO 120 1HB PRO 120 11.639 -0.706 -4.171 996 HG2 PRO 120 2HG PRO 120 12.375 0.380 -6.847 997 HG3 PRO 120 1HG PRO 120 10.886 -0.432 -6.285 998 HD2 PRO 120 2HD PRO 120 11.075 2.258 -6.689 999 HD3 PRO 120 1HD PRO 120 9.924 1.491 -5.575 1000 H LYS 121 H LYS 121 14.723 0.322 -3.022 1001 HA LYS 121 HA LYS 121 16.562 2.347 -3.861 1002 HB2 LYS 121 2HB LYS 121 17.461 -0.350 -2.908 1003 HB3 LYS 121 1HB LYS 121 18.146 1.235 -2.564 1004 HG2 LYS 121 2HG LYS 121 15.719 -0.076 -1.455 1005 HG3 LYS 121 1HG LYS 121 17.068 0.592 -0.537 1006 HD2 LYS 121 2HD LYS 121 16.095 2.853 -1.881 1007 HD3 LYS 121 1HD LYS 121 14.644 1.944 -1.619 1008 HE2 LYS 121 2HE LYS 121 14.869 3.330 0.295 1009 HE3 LYS 121 1HE LYS 121 15.253 1.694 0.817 1010 HZ1 LYS 121 3HZ LYS 121 16.815 3.904 1.111 1011 HZ2 LYS 121 1HZ LYS 121 17.552 3.106 -0.164 1012 HZ3 LYS 121 2HZ LYS 121 17.336 2.321 1.326 1013 H LEU 122 H LEU 122 16.086 2.249 -6.092 1014 HA LEU 122 HA LEU 122 16.401 -0.003 -7.625 1015 HB2 LEU 122 2HB LEU 122 16.616 2.909 -8.422 1016 HB3 LEU 122 1HB LEU 122 16.573 1.586 -9.583 1017 HG LEU 122 HG LEU 122 14.422 2.026 -7.475 1018 HD11 LEU 122 1HD1 LEU 122 14.490 3.841 -9.212 1019 HD12 LEU 122 2HD1 LEU 122 13.017 2.880 -9.147 1020 HD13 LEU 122 3HD1 LEU 122 14.190 2.584 -10.427 1021 HD21 LEU 122 3HD2 LEU 122 13.247 0.492 -9.304 1022 HD22 LEU 122 1HD2 LEU 122 14.232 -0.220 -8.033 1023 HD23 LEU 122 2HD2 LEU 122 14.900 0.016 -9.649 1024 H HIS 123 H HIS 123 18.790 2.394 -6.677 1025 HA HIS 123 HA HIS 123 20.882 0.987 -8.192 1026 HB2 HIS 123 2HB HIS 123 22.150 3.096 -6.999 1027 HB3 HIS 123 1HB HIS 123 21.448 3.106 -8.617 1028 HD1 HIS 123 1HD HIS 123 19.205 4.333 -8.951 1029 HD2 HIS 123 2HD HIS 123 20.655 4.538 -5.043 1030 HE1 HIS 123 1HE HIS 123 17.793 6.083 -7.739 1031 HE2 HIS 123 2HE HIS 123 18.676 6.216 -5.358 1032 HA PRO 124 HA PRO 124 21.637 -1.152 -4.179 1033 HB2 PRO 124 2HB PRO 124 23.844 -2.249 -5.852 1034 HB3 PRO 124 1HB PRO 124 22.671 -3.090 -4.826 1035 HG2 PRO 124 2HG PRO 124 22.401 -3.202 -7.424 1036 HG3 PRO 124 1HG PRO 124 20.975 -2.964 -6.405 1037 HD2 PRO 124 2HD PRO 124 22.448 -0.922 -8.047 1038 HD3 PRO 124 1HD PRO 124 20.696 -1.140 -7.798 1039 H VAL 125 H VAL 125 24.092 0.156 -6.361 1040 HA VAL 125 HA VAL 125 25.352 1.696 -4.259 1041 HB VAL 125 HB VAL 125 27.154 -0.086 -5.909 1042 HG11 VAL 125 1HG1 VAL 125 27.917 0.598 -3.165 1043 HG12 VAL 125 2HG1 VAL 125 27.648 2.019 -4.150 1044 HG13 VAL 125 3HG1 VAL 125 28.815 0.802 -4.656 1045 HG21 VAL 125 3HG2 VAL 125 25.614 -1.625 -4.668 1046 HG22 VAL 125 1HG2 VAL 125 26.023 -0.789 -3.165 1047 HG23 VAL 125 2HG2 VAL 125 27.251 -1.690 -4.044 1048 H SER 126 H SER 126 27.752 1.811 -6.198 1049 HA SER 126 HA SER 126 27.037 4.063 -7.709 1050 HB2 SER 126 2HB SER 126 29.195 2.147 -8.561 1051 HB3 SER 126 1HB SER 126 29.186 3.904 -8.552 1052 HG SER 126 HG SER 126 30.333 2.531 -6.788 1053 H ASN 127 H ASN 127 26.045 4.171 -9.689 1054 HA ASN 127 HA ASN 127 25.768 1.735 -11.303 1055 HB2 ASN 127 2HB ASN 127 23.304 2.245 -11.542 1056 HB3 ASN 127 1HB ASN 127 23.806 1.603 -9.985 1057 HD21 ASN 127 1HD2 ASN 127 24.228 3.318 -8.223 1058 HD22 ASN 127 2HD2 ASN 127 23.274 4.710 -8.269 Start of MODEL 9 1 H1 GLY 1 H GLY 1 5.084 5.281 22.055 2 HA2 GLY 1 2HA GLY 1 5.461 6.031 19.914 3 HA3 GLY 1 1HA GLY 1 6.717 4.811 19.762 4 H ALA 2 H ALA 2 5.930 4.523 17.590 5 HA ALA 2 HA ALA 2 3.288 3.516 17.094 6 HB1 ALA 2 1HB ALA 2 5.766 3.667 15.381 7 HB2 ALA 2 2HB ALA 2 4.337 4.696 15.298 8 HB3 ALA 2 3HB ALA 2 4.240 3.002 14.812 9 H MET 3 H MET 3 4.540 1.985 19.093 10 HA MET 3 HA MET 3 5.472 -0.500 17.911 11 HB2 MET 3 2HB MET 3 4.884 0.282 20.781 12 HB3 MET 3 1HB MET 3 5.504 -1.288 20.294 13 HG2 MET 3 2HG MET 3 7.478 -0.254 19.272 14 HG3 MET 3 1HG MET 3 6.877 1.350 19.683 15 HE1 MET 3 3HE MET 3 6.650 2.355 21.669 16 HE2 MET 3 1HE MET 3 7.394 1.944 23.221 17 HE3 MET 3 2HE MET 3 5.842 1.258 22.766 18 H GLY 4 H GLY 4 4.360 -2.455 17.868 19 HA2 GLY 4 2HA GLY 4 2.557 -3.894 17.856 20 HA3 GLY 4 1HA GLY 4 1.737 -2.801 18.964 21 H SER 5 H SER 5 1.700 -0.473 17.511 22 HA SER 5 HA SER 5 -0.275 -1.078 15.434 23 HB2 SER 5 2HB SER 5 0.473 1.678 16.336 24 HB3 SER 5 1HB SER 5 -1.049 1.079 15.727 25 HG SER 5 HG SER 5 -0.967 1.389 18.044 26 H GLY 6 H GLY 6 2.778 -1.332 15.165 27 HA2 GLY 6 2HA GLY 6 3.756 0.718 13.569 28 HA3 GLY 6 1HA GLY 6 4.336 -0.939 13.538 29 H ASP 7 H ASP 7 2.272 -2.375 12.556 30 HA ASP 7 HA ASP 7 2.291 -1.798 9.749 31 HB2 ASP 7 2HB ASP 7 0.398 -3.667 11.290 32 HB3 ASP 7 1HB ASP 7 0.532 -3.486 9.585 33 H THR 8 H THR 8 0.038 -1.308 12.341 34 HA THR 8 HA THR 8 -2.153 -0.282 10.917 35 HB THR 8 HB THR 8 -1.255 0.612 13.656 36 HG1 THR 8 1HG THR 8 -2.701 -1.779 13.040 37 HG21 THR 8 3HG2 THR 8 -3.186 1.741 13.051 38 HG22 THR 8 1HG2 THR 8 -3.796 0.396 13.997 39 HG23 THR 8 2HG2 THR 8 -3.908 0.351 12.237 40 H GLN 9 H GLN 9 0.628 1.265 12.470 41 HA GLN 9 HA GLN 9 0.057 3.928 11.731 42 HB2 GLN 9 2HB GLN 9 2.523 2.448 12.574 43 HB3 GLN 9 1HB GLN 9 2.627 4.128 12.057 44 HG2 GLN 9 2HG GLN 9 0.578 3.313 14.095 45 HG3 GLN 9 1HG GLN 9 2.260 3.560 14.551 46 HE21 GLN 9 1HE2 GLN 9 1.096 5.529 11.892 47 HE22 GLN 9 2HE2 GLN 9 0.943 6.956 12.777 48 H LEU 10 H LEU 10 2.068 1.382 10.263 49 HA LEU 10 HA LEU 10 2.946 3.005 8.121 50 HB2 LEU 10 2HB LEU 10 2.681 0.004 8.292 51 HB3 LEU 10 1HB LEU 10 3.445 0.849 6.951 52 HG LEU 10 HG LEU 10 4.345 0.782 9.844 53 HD11 LEU 10 1HD1 LEU 10 5.973 -0.539 9.182 54 HD12 LEU 10 2HD1 LEU 10 6.234 0.398 7.695 55 HD13 LEU 10 3HD1 LEU 10 4.973 -0.833 7.744 56 HD21 LEU 10 3HD2 LEU 10 5.013 2.755 7.661 57 HD22 LEU 10 1HD2 LEU 10 6.255 2.290 8.824 58 HD23 LEU 10 2HD2 LEU 10 4.770 3.031 9.392 59 H PHE 11 H PHE 11 0.169 0.897 8.535 60 HA PHE 11 HA PHE 11 -0.935 1.241 5.945 61 HB2 PHE 11 2HB PHE 11 -1.786 -0.423 7.383 62 HB3 PHE 11 1HB PHE 11 -2.220 0.734 8.628 63 HD1 PHE 11 1HD PHE 11 -3.010 -0.282 5.099 64 HD2 PHE 11 2HD PHE 11 -4.252 1.994 8.538 65 HE1 PHE 11 1HE PHE 11 -5.167 0.171 4.023 66 HE2 PHE 11 2HE PHE 11 -6.431 2.441 7.449 67 HZ PHE 11 HZ PHE 11 -6.896 1.537 5.191 68 H ASN 12 H ASN 12 -1.379 2.997 8.986 69 HA ASN 12 HA ASN 12 -3.221 4.916 8.050 70 HB2 ASN 12 2HB ASN 12 -1.075 5.143 10.171 71 HB3 ASN 12 1HB ASN 12 -2.312 6.350 9.887 72 HD21 ASN 12 1HD2 ASN 12 -1.856 4.575 12.238 73 HD22 ASN 12 2HD2 ASN 12 -3.315 3.766 12.514 74 H ARG 13 H ARG 13 0.289 4.885 8.218 75 HA ARG 13 HA ARG 13 0.732 7.433 7.049 76 HB2 ARG 13 2HB ARG 13 2.408 4.940 7.321 77 HB3 ARG 13 1HB ARG 13 3.009 6.439 6.617 78 HG2 ARG 13 2HG ARG 13 2.608 7.670 8.653 79 HG3 ARG 13 1HG ARG 13 1.783 6.309 9.402 80 HD2 ARG 13 2HD ARG 13 3.705 5.017 9.491 81 HD3 ARG 13 1HD ARG 13 4.720 6.121 8.524 82 HE ARG 13 HE ARG 13 4.132 6.116 11.342 83 HH11 ARG 13 1HH2 ARG 13 4.744 8.230 8.626 84 HH12 ARG 13 2HH2 ARG 13 5.545 9.426 9.535 85 HH21 ARG 13 1HH1 ARG 13 5.203 7.719 12.589 86 HH22 ARG 13 2HH1 ARG 13 5.829 9.114 11.826 87 H ALA 14 H ALA 14 0.728 4.119 5.715 88 HA ALA 14 HA ALA 14 1.308 4.882 3.059 89 HB1 ALA 14 1HB ALA 14 0.632 2.633 2.433 90 HB2 ALA 14 2HB ALA 14 -0.168 2.414 3.983 91 HB3 ALA 14 3HB ALA 14 1.585 2.573 3.916 92 H VAL 15 H VAL 15 -1.813 4.052 4.577 93 HA VAL 15 HA VAL 15 -3.317 4.456 2.271 94 HB VAL 15 HB VAL 15 -3.902 3.309 4.529 95 HG11 VAL 15 1HG1 VAL 15 -5.167 4.580 6.096 96 HG12 VAL 15 2HG1 VAL 15 -5.164 6.007 5.068 97 HG13 VAL 15 3HG1 VAL 15 -3.668 5.466 5.840 98 HG21 VAL 15 3HG2 VAL 15 -5.476 3.081 2.815 99 HG22 VAL 15 1HG2 VAL 15 -5.786 4.815 2.715 100 HG23 VAL 15 2HG2 VAL 15 -6.405 3.884 4.071 101 H SER 16 H SER 16 -2.353 6.691 4.870 102 HA SER 16 HA SER 16 -3.958 8.848 4.059 103 HB2 SER 16 2HB SER 16 -2.904 8.758 6.263 104 HB3 SER 16 1HB SER 16 -1.310 8.801 5.529 105 HG SER 16 HG SER 16 -1.989 10.824 6.252 106 H MET 17 H MET 17 -0.610 7.904 3.289 107 HA MET 17 HA MET 17 -0.198 10.167 1.645 108 HB2 MET 17 2HB MET 17 1.290 7.528 1.647 109 HB3 MET 17 1HB MET 17 1.765 9.013 0.790 110 HG2 MET 17 2HG MET 17 1.666 10.196 3.045 111 HG3 MET 17 1HG MET 17 1.491 8.669 3.778 112 HE1 MET 17 3HE MET 17 2.931 6.857 3.970 113 HE2 MET 17 1HE MET 17 4.646 6.751 3.534 114 HE3 MET 17 2HE MET 17 3.412 6.524 2.308 115 H VAL 18 H VAL 18 -1.235 6.845 0.856 116 HA VAL 18 HA VAL 18 -1.199 7.423 -1.927 117 HB VAL 18 HB VAL 18 -2.294 5.270 -2.271 118 HG11 VAL 18 1HG1 VAL 18 -0.034 5.143 -0.248 119 HG12 VAL 18 2HG1 VAL 18 0.175 5.468 -1.971 120 HG13 VAL 18 3HG1 VAL 18 -0.449 3.913 -1.439 121 HG21 VAL 18 3HG2 VAL 18 -2.781 5.550 0.642 122 HG22 VAL 18 1HG2 VAL 18 -2.259 3.947 0.131 123 HG23 VAL 18 2HG2 VAL 18 -3.707 4.667 -0.563 124 H GLU 19 H GLU 19 -3.941 7.260 0.389 125 HA GLU 19 HA GLU 19 -5.940 7.615 -1.575 126 HB2 GLU 19 2HB GLU 19 -5.914 8.573 1.304 127 HB3 GLU 19 1HB GLU 19 -7.304 8.608 0.214 128 HG2 GLU 19 2HG GLU 19 -7.151 6.069 0.070 129 HG3 GLU 19 1HG GLU 19 -5.851 6.170 1.220 130 H LYS 20 H LYS 20 -3.894 9.825 0.141 131 HA LYS 20 HA LYS 20 -5.343 12.142 -0.832 132 HB2 LYS 20 2HB LYS 20 -2.920 12.056 0.969 133 HB3 LYS 20 1HB LYS 20 -4.065 13.379 0.785 134 HG2 LYS 20 2HG LYS 20 -4.831 10.617 1.822 135 HG3 LYS 20 1HG LYS 20 -4.523 12.010 2.838 136 HD2 LYS 20 2HD LYS 20 -6.605 12.798 2.512 137 HD3 LYS 20 1HD LYS 20 -6.434 12.762 0.773 138 HE2 LYS 20 2HE LYS 20 -8.301 11.301 1.480 139 HE3 LYS 20 1HE LYS 20 -7.012 10.407 0.726 140 HZ1 LYS 20 3HZ LYS 20 -6.176 10.074 3.212 141 HZ2 LYS 20 1HZ LYS 20 -7.447 9.123 2.637 142 HZ3 LYS 20 2HZ LYS 20 -7.768 10.460 3.580 143 H ASN 21 H ASN 21 -2.950 10.300 -2.107 144 HA ASN 21 HA ASN 21 -1.237 12.365 -3.159 145 HB2 ASN 21 2HB ASN 21 -0.267 10.196 -3.007 146 HB3 ASN 21 1HB ASN 21 -1.599 9.442 -3.832 147 HD21 ASN 21 1HD2 ASN 21 1.529 10.554 -4.341 148 HD22 ASN 21 2HD2 ASN 21 1.478 10.745 -6.022 149 H LYS 22 H LYS 22 -1.640 13.673 -4.730 150 HA LYS 22 HA LYS 22 -4.076 14.048 -5.863 151 HB2 LYS 22 2HB LYS 22 -3.078 15.643 -7.324 152 HB3 LYS 22 1HB LYS 22 -2.269 15.736 -5.775 153 HG2 LYS 22 2HG LYS 22 -1.220 14.331 -8.288 154 HG3 LYS 22 1HG LYS 22 -0.603 15.822 -7.649 155 HD2 LYS 22 2HD LYS 22 -0.438 13.168 -6.091 156 HD3 LYS 22 1HD LYS 22 0.773 13.800 -7.132 157 HE2 LYS 22 2HE LYS 22 0.339 14.496 -4.413 158 HE3 LYS 22 1HE LYS 22 1.616 15.049 -5.479 159 HZ1 LYS 22 3HZ LYS 22 -0.671 16.414 -4.497 160 HZ2 LYS 22 1HZ LYS 22 -0.627 16.589 -6.168 161 HZ3 LYS 22 2HZ LYS 22 0.683 17.036 -5.229 162 H ASP 23 H ASP 23 -1.371 12.317 -7.404 163 HA ASP 23 HA ASP 23 -2.834 11.816 -9.814 164 HB2 ASP 23 2HB ASP 23 -0.290 11.801 -9.573 165 HB3 ASP 23 1HB ASP 23 -0.486 10.230 -8.806 166 H ILE 24 H ILE 24 -2.099 9.959 -6.911 167 HA ILE 24 HA ILE 24 -3.454 7.620 -7.728 168 HB ILE 24 HB ILE 24 -2.822 8.646 -4.963 169 HG12 ILE 24 2HG1 ILE 24 -1.624 6.352 -6.544 170 HG13 ILE 24 1HG1 ILE 24 -0.924 7.961 -6.548 171 HG21 ILE 24 1HG2 ILE 24 -4.171 6.118 -5.888 172 HG22 ILE 24 2HG2 ILE 24 -4.576 7.198 -4.543 173 HG23 ILE 24 3HG2 ILE 24 -3.189 6.127 -4.415 174 HD11 ILE 24 3HD1 ILE 24 -0.155 6.082 -4.805 175 HD12 ILE 24 1HD1 ILE 24 -1.509 6.739 -3.895 176 HD13 ILE 24 2HD1 ILE 24 -0.172 7.790 -4.372 177 H ARG 25 H ARG 25 -4.533 10.476 -5.926 178 HA ARG 25 HA ARG 25 -7.187 9.693 -5.408 179 HB2 ARG 25 2HB ARG 25 -5.933 12.314 -6.112 180 HB3 ARG 25 1HB ARG 25 -7.664 12.202 -5.895 181 HG2 ARG 25 2HG ARG 25 -7.297 11.340 -3.580 182 HG3 ARG 25 1HG ARG 25 -5.559 11.413 -3.824 183 HD2 ARG 25 2HD ARG 25 -6.583 13.440 -2.628 184 HD3 ARG 25 1HD ARG 25 -5.543 13.776 -3.985 185 HE ARG 25 HE ARG 25 -7.392 14.425 -5.275 186 HH11 ARG 25 1HH2 ARG 25 -8.384 13.284 -2.102 187 HH12 ARG 25 2HH2 ARG 25 -9.977 13.830 -2.264 188 HH21 ARG 25 1HH1 ARG 25 -9.571 15.148 -5.479 189 HH22 ARG 25 2HH1 ARG 25 -10.666 14.906 -4.201 190 H SER 26 H SER 26 -5.680 11.126 -8.220 191 HA SER 26 HA SER 26 -7.985 11.217 -9.872 192 HB2 SER 26 2HB SER 26 -5.101 10.974 -10.639 193 HB3 SER 26 1HB SER 26 -6.402 11.569 -11.673 194 HG SER 26 HG SER 26 -5.264 12.709 -9.288 195 H LEU 27 H LEU 27 -5.443 8.798 -9.377 196 HA LEU 27 HA LEU 27 -6.378 6.901 -11.293 197 HB2 LEU 27 2HB LEU 27 -4.866 6.459 -8.694 198 HB3 LEU 27 1HB LEU 27 -5.119 5.258 -9.942 199 HG LEU 27 HG LEU 27 -3.651 7.881 -10.399 200 HD11 LEU 27 1HD1 LEU 27 -2.278 5.251 -10.522 201 HD12 LEU 27 2HD1 LEU 27 -2.617 5.929 -8.930 202 HD13 LEU 27 3HD1 LEU 27 -1.669 6.845 -10.094 203 HD21 LEU 27 3HD2 LEU 27 -4.881 6.082 -12.218 204 HD22 LEU 27 1HD2 LEU 27 -3.148 5.774 -12.309 205 HD23 LEU 27 2HD2 LEU 27 -3.789 7.399 -12.583 206 H LEU 28 H LEU 28 -7.029 7.475 -7.907 207 HA LEU 28 HA LEU 28 -8.838 5.261 -7.579 208 HB2 LEU 28 2HB LEU 28 -8.237 7.674 -5.865 209 HB3 LEU 28 1HB LEU 28 -9.285 6.391 -5.325 210 HG LEU 28 HG LEU 28 -6.367 6.075 -6.116 211 HD11 LEU 28 1HD1 LEU 28 -7.619 5.835 -3.378 212 HD12 LEU 28 2HD1 LEU 28 -6.865 7.323 -3.940 213 HD13 LEU 28 3HD1 LEU 28 -5.914 5.850 -3.773 214 HD21 LEU 28 3HD2 LEU 28 -7.631 3.992 -6.530 215 HD22 LEU 28 1HD2 LEU 28 -8.374 4.117 -4.932 216 HD23 LEU 28 2HD2 LEU 28 -6.650 3.814 -5.083 217 H GLN 29 H GLN 29 -9.182 8.005 -9.316 218 HA GLN 29 HA GLN 29 -10.988 9.212 -10.098 219 HB2 GLN 29 2HB GLN 29 -12.722 7.014 -8.926 220 HB3 GLN 29 1HB GLN 29 -13.083 8.078 -10.275 221 HG2 GLN 29 2HG GLN 29 -10.860 6.002 -10.284 222 HG3 GLN 29 1HG GLN 29 -12.432 5.800 -11.033 223 HE21 GLN 29 1HE2 GLN 29 -9.358 6.500 -11.882 224 HE22 GLN 29 2HE2 GLN 29 -9.681 7.526 -13.199 225 H CYS 30 H CYS 30 -9.931 9.672 -7.470 226 HA CYS 30 HA CYS 30 -11.866 9.827 -5.460 227 HB2 CYS 30 2HB CYS 30 -9.274 10.110 -5.337 228 HB3 CYS 30 1HB CYS 30 -9.636 11.827 -5.554 229 HG CYS 30 HG CYS 30 -10.138 11.828 -3.134 230 H ASP 31 H ASP 31 -13.474 10.632 -7.225 231 HA ASP 31 HA ASP 31 -13.634 13.572 -7.202 232 HB2 ASP 31 2HB ASP 31 -13.902 12.210 -9.369 233 HB3 ASP 31 1HB ASP 31 -15.431 11.678 -8.669 234 H ASP 32 H ASP 32 -14.629 14.236 -5.395 235 HA ASP 32 HA ASP 32 -16.731 12.576 -4.207 236 HB2 ASP 32 2HB ASP 32 -14.934 14.731 -3.145 237 HB3 ASP 32 1HB ASP 32 -16.400 14.363 -2.292 238 H GLY 33 H GLY 33 -18.755 13.004 -4.806 239 HA2 GLY 33 2HA GLY 33 -20.431 14.850 -4.277 240 HA3 GLY 33 1HA GLY 33 -19.515 15.792 -5.439 241 H ILE 34 H ILE 34 -19.022 14.085 -7.442 242 HA ILE 34 HA ILE 34 -21.159 14.226 -9.109 243 HB ILE 34 HB ILE 34 -19.148 13.607 -10.081 244 HG12 ILE 34 2HG1 ILE 34 -20.578 10.961 -10.167 245 HG13 ILE 34 1HG1 ILE 34 -21.298 12.374 -10.935 246 HG21 ILE 34 1HG2 ILE 34 -18.593 10.954 -9.221 247 HG22 ILE 34 2HG2 ILE 34 -18.791 11.922 -7.763 248 HG23 ILE 34 3HG2 ILE 34 -17.635 12.395 -8.994 249 HD11 ILE 34 3HD1 ILE 34 -19.881 10.906 -12.405 250 HD12 ILE 34 1HD1 ILE 34 -18.484 11.434 -11.459 251 HD13 ILE 34 2HD1 ILE 34 -19.435 12.616 -12.379 252 H THR 35 H THR 35 -20.506 11.209 -7.364 253 HA THR 35 HA THR 35 -23.331 10.491 -7.783 254 HB THR 35 HB THR 35 -22.711 8.343 -7.625 255 HG1 THR 35 1HG THR 35 -21.490 7.762 -5.987 256 HG21 THR 35 3HG2 THR 35 -21.525 9.468 -9.477 257 HG22 THR 35 1HG2 THR 35 -20.826 7.931 -9.002 258 HG23 THR 35 2HG2 THR 35 -20.039 9.423 -8.509 259 H GLY 36 H GLY 36 -21.521 12.142 -5.724 260 HA2 GLY 36 2HA GLY 36 -22.587 12.811 -3.528 261 HA3 GLY 36 1HA GLY 36 -22.609 11.057 -3.236 262 H LYS 37 H LYS 37 -21.109 11.628 -1.433 263 HA LYS 37 HA LYS 37 -18.359 11.783 -2.522 264 HB2 LYS 37 2HB LYS 37 -19.480 12.755 0.112 265 HB3 LYS 37 1HB LYS 37 -17.766 12.572 -0.209 266 HG2 LYS 37 2HG LYS 37 -18.039 14.801 -0.848 267 HG3 LYS 37 1HG LYS 37 -18.302 13.982 -2.375 268 HD2 LYS 37 2HD LYS 37 -20.132 15.353 -2.349 269 HD3 LYS 37 1HD LYS 37 -20.847 13.943 -1.595 270 HE2 LYS 37 2HE LYS 37 -21.292 15.119 0.227 271 HE3 LYS 37 1HE LYS 37 -19.600 15.526 0.473 272 HZ1 LYS 37 3HZ LYS 37 -20.051 17.279 -1.375 273 HZ2 LYS 37 1HZ LYS 37 -20.639 17.599 0.166 274 HZ3 LYS 37 2HZ LYS 37 -21.665 17.010 -1.035 275 H GLU 38 H GLU 38 -17.501 9.881 -2.516 276 HA GLU 38 HA GLU 38 -18.289 7.955 -0.501 277 HB2 GLU 38 2HB GLU 38 -17.417 7.673 -3.192 278 HB3 GLU 38 1HB GLU 38 -16.262 6.817 -2.147 279 HG2 GLU 38 2HG GLU 38 -19.247 6.442 -2.407 280 HG3 GLU 38 1HG GLU 38 -17.978 5.258 -2.675 281 H ARG 39 H ARG 39 -16.947 7.074 0.930 282 HA ARG 39 HA ARG 39 -14.484 8.583 1.495 283 HB2 ARG 39 2HB ARG 39 -16.091 6.637 3.196 284 HB3 ARG 39 1HB ARG 39 -14.486 7.222 3.594 285 HG2 ARG 39 2HG ARG 39 -15.946 8.669 4.736 286 HG3 ARG 39 1HG ARG 39 -15.368 9.578 3.352 287 HD2 ARG 39 2HD ARG 39 -17.335 9.193 2.148 288 HD3 ARG 39 1HD ARG 39 -17.975 8.037 3.322 289 HE ARG 39 HE ARG 39 -17.547 10.338 4.765 290 HH11 ARG 39 1HH2 ARG 39 -19.339 9.662 1.816 291 HH12 ARG 39 2HH2 ARG 39 -20.588 10.757 2.190 292 HH21 ARG 39 1HH1 ARG 39 -19.203 11.780 5.225 293 HH22 ARG 39 2HH1 ARG 39 -20.532 11.986 4.153 294 H LEU 40 H LEU 40 -12.609 7.724 0.927 295 HA LEU 40 HA LEU 40 -12.449 5.412 -0.652 296 HB2 LEU 40 2HB LEU 40 -10.308 6.918 0.873 297 HB3 LEU 40 1HB LEU 40 -9.980 5.609 -0.244 298 HG LEU 40 HG LEU 40 -11.514 6.980 -1.904 299 HD11 LEU 40 1HD1 LEU 40 -12.289 8.820 -0.687 300 HD12 LEU 40 2HD1 LEU 40 -10.855 9.498 -1.448 301 HD13 LEU 40 3HD1 LEU 40 -10.785 8.977 0.217 302 HD21 LEU 40 3HD2 LEU 40 -8.650 7.714 -1.198 303 HD22 LEU 40 1HD2 LEU 40 -9.464 8.218 -2.684 304 HD23 LEU 40 2HD2 LEU 40 -9.195 6.509 -2.361 305 H LYS 41 H LYS 41 -12.053 3.339 -0.241 306 HA LYS 41 HA LYS 41 -12.100 2.574 2.611 307 HB2 LYS 41 2HB LYS 41 -12.952 0.983 0.208 308 HB3 LYS 41 1HB LYS 41 -13.207 0.522 1.876 309 HG2 LYS 41 2HG LYS 41 -14.321 3.171 0.960 310 HG3 LYS 41 1HG LYS 41 -15.120 1.716 0.447 311 HD2 LYS 41 2HD LYS 41 -16.196 2.316 2.499 312 HD3 LYS 41 1HD LYS 41 -15.184 0.938 2.864 313 HE2 LYS 41 2HE LYS 41 -14.974 2.767 4.559 314 HE3 LYS 41 1HE LYS 41 -13.470 2.305 3.793 315 HZ1 LYS 41 3HZ LYS 41 -13.205 4.413 3.079 316 HZ2 LYS 41 1HZ LYS 41 -14.611 4.846 3.853 317 HZ3 LYS 41 2HZ LYS 41 -14.666 4.402 2.226 318 H ALA 42 H ALA 42 -10.606 1.226 3.421 319 HA ALA 42 HA ALA 42 -8.920 -0.118 1.535 320 HB1 ALA 42 1HB ALA 42 -7.554 1.757 1.738 321 HB2 ALA 42 2HB ALA 42 -6.847 0.653 2.912 322 HB3 ALA 42 3HB ALA 42 -7.912 1.958 3.445 323 H TYR 43 H TYR 43 -8.264 -2.096 2.230 324 HA TYR 43 HA TYR 43 -8.254 -2.749 5.052 325 HB2 TYR 43 2HB TYR 43 -9.803 -4.725 4.648 326 HB3 TYR 43 1HB TYR 43 -10.564 -3.140 4.712 327 HD1 TYR 43 2HD TYR 43 -11.413 -2.053 2.686 328 HD2 TYR 43 1HD TYR 43 -9.592 -5.948 2.518 329 HE1 TYR 43 2HE TYR 43 -12.322 -2.374 0.425 330 HE2 TYR 43 1HE TYR 43 -10.483 -6.281 0.280 331 HH TYR 43 HH TYR 43 -12.659 -3.832 -1.228 332 H GLY 44 H GLY 44 -7.675 -5.123 5.382 333 HA2 GLY 44 2HA GLY 44 -5.224 -5.705 4.242 334 HA3 GLY 44 1HA GLY 44 -6.267 -6.839 5.060 335 H GLU 45 H GLU 45 -4.696 -6.693 2.429 336 HA GLU 45 HA GLU 45 -6.016 -6.861 0.148 337 HB2 GLU 45 2HB GLU 45 -3.691 -7.867 1.240 338 HB3 GLU 45 1HB GLU 45 -4.400 -9.237 0.373 339 HG2 GLU 45 2HG GLU 45 -4.180 -6.486 -0.899 340 HG3 GLU 45 1HG GLU 45 -2.870 -7.647 -0.998 341 H LEU 46 H LEU 46 -7.481 -8.076 -0.872 342 HA LEU 46 HA LEU 46 -8.675 -10.385 0.539 343 HB2 LEU 46 2HB LEU 46 -10.704 -10.014 -0.669 344 HB3 LEU 46 1HB LEU 46 -10.259 -8.490 0.089 345 HG LEU 46 HG LEU 46 -9.426 -9.110 -2.771 346 HD11 LEU 46 1HD1 LEU 46 -12.134 -8.363 -1.790 347 HD12 LEU 46 2HD1 LEU 46 -11.638 -9.359 -3.157 348 HD13 LEU 46 3HD1 LEU 46 -11.525 -7.609 -3.262 349 HD21 LEU 46 3HD2 LEU 46 -8.945 -6.944 -1.014 350 HD22 LEU 46 1HD2 LEU 46 -10.202 -6.380 -2.118 351 HD23 LEU 46 2HD2 LEU 46 -8.686 -6.991 -2.749 352 H ILE 47 H ILE 47 -6.897 -9.360 -2.180 353 HA ILE 47 HA ILE 47 -7.311 -11.912 -3.573 354 HB ILE 47 HB ILE 47 -5.655 -9.494 -4.390 355 HG12 ILE 47 2HG1 ILE 47 -8.058 -8.907 -4.292 356 HG13 ILE 47 1HG1 ILE 47 -7.526 -8.983 -5.959 357 HG21 ILE 47 1HG2 ILE 47 -5.997 -12.186 -5.488 358 HG22 ILE 47 2HG2 ILE 47 -4.844 -10.941 -5.945 359 HG23 ILE 47 3HG2 ILE 47 -6.450 -10.957 -6.659 360 HD11 ILE 47 3HD1 ILE 47 -9.104 -11.095 -4.465 361 HD12 ILE 47 1HD1 ILE 47 -8.351 -11.386 -6.030 362 HD13 ILE 47 2HD1 ILE 47 -9.610 -10.170 -5.871 363 H THR 48 H THR 48 -5.905 -10.985 -0.969 364 HA THR 48 HA THR 48 -3.415 -11.011 -0.567 365 HB THR 48 HB THR 48 -4.610 -13.384 0.763 366 HG1 THR 48 1HG THR 48 -5.792 -10.869 1.328 367 HG21 THR 48 3HG2 THR 48 -4.024 -11.530 2.669 368 HG22 THR 48 1HG2 THR 48 -2.887 -11.046 1.400 369 HG23 THR 48 2HG2 THR 48 -2.895 -12.694 2.002 370 H ASN 49 H ASN 49 -4.452 -14.381 -0.598 371 HA ASN 49 HA ASN 49 -2.185 -15.035 -2.378 372 HB2 ASN 49 2HB ASN 49 -2.006 -15.905 0.020 373 HB3 ASN 49 1HB ASN 49 -3.416 -16.868 -0.323 374 HD21 ASN 49 1HD2 ASN 49 -0.736 -17.981 0.221 375 HD22 ASN 49 2HD2 ASN 49 -0.294 -18.833 -1.170 376 H ASP 50 H ASP 50 -4.599 -17.335 -1.393 377 HA ASP 50 HA ASP 50 -5.558 -17.549 -4.135 378 HB2 ASP 50 2HB ASP 50 -6.901 -19.452 -2.957 379 HB3 ASP 50 1HB ASP 50 -5.217 -19.706 -3.364 380 H LYS 51 H LYS 51 -7.400 -18.096 -1.165 381 HA LYS 51 HA LYS 51 -9.269 -16.016 -2.098 382 HB2 LYS 51 2HB LYS 51 -9.955 -18.652 -0.818 383 HB3 LYS 51 1HB LYS 51 -11.098 -17.318 -0.945 384 HG2 LYS 51 2HG LYS 51 -10.745 -17.261 -3.410 385 HG3 LYS 51 1HG LYS 51 -9.673 -18.655 -3.281 386 HD2 LYS 51 2HD LYS 51 -11.510 -19.994 -2.347 387 HD3 LYS 51 1HD LYS 51 -12.594 -18.603 -2.456 388 HE2 LYS 51 2HE LYS 51 -12.220 -18.545 -4.938 389 HE3 LYS 51 1HE LYS 51 -11.230 -19.987 -4.792 390 HZ1 LYS 51 3HZ LYS 51 -13.368 -20.793 -5.321 391 HZ2 LYS 51 1HZ LYS 51 -14.134 -19.723 -4.267 392 HZ3 LYS 51 2HZ LYS 51 -13.221 -21.044 -3.695 393 H TRP 52 H TRP 52 -9.666 -17.596 1.012 394 HA TRP 52 HA TRP 52 -9.638 -14.872 2.100 395 HB2 TRP 52 2HB TRP 52 -10.689 -17.054 3.807 396 HB3 TRP 52 1HB TRP 52 -11.270 -15.428 3.529 397 HD1 TRP 52 HD TRP 52 -12.316 -15.061 0.889 398 HE1 TRP 52 1HE TRP 52 -13.918 -16.659 -0.336 399 HE3 TRP 52 3HE TRP 52 -11.459 -19.345 3.519 400 HZ2 TRP 52 2HZ TRP 52 -14.728 -19.401 -0.210 401 HZ3 TRP 52 3HZ TRP 52 -12.649 -21.430 2.946 402 HH2 TRP 52 HH TRP 52 -14.282 -21.469 1.089 403 H THR 53 H THR 53 -8.877 -17.976 3.608 404 HA THR 53 HA THR 53 -7.918 -17.215 5.903 405 HB THR 53 HB THR 53 -6.412 -19.137 6.009 406 HG1 THR 53 1HG THR 53 -6.909 -19.443 3.225 407 HG21 THR 53 3HG2 THR 53 -8.094 -20.732 5.702 408 HG22 THR 53 1HG2 THR 53 -8.710 -19.960 4.249 409 HG23 THR 53 2HG2 THR 53 -9.019 -19.255 5.827 410 H ARG 54 H ARG 54 -5.944 -16.845 3.034 411 HA ARG 54 HA ARG 54 -3.595 -15.899 4.398 412 HB2 ARG 54 2HB ARG 54 -4.481 -15.832 1.526 413 HB3 ARG 54 1HB ARG 54 -3.038 -15.016 2.084 414 HG2 ARG 54 2HG ARG 54 -1.958 -16.976 1.832 415 HG3 ARG 54 1HG ARG 54 -2.714 -17.450 3.332 416 HD2 ARG 54 2HD ARG 54 -4.514 -17.840 1.025 417 HD3 ARG 54 1HD ARG 54 -2.979 -18.713 0.923 418 HE ARG 54 HE ARG 54 -4.342 -18.964 3.485 419 HH11 ARG 54 1HH2 ARG 54 -4.164 -20.198 0.226 420 HH12 ARG 54 2HH2 ARG 54 -4.684 -21.768 0.679 421 HH21 ARG 54 1HH1 ARG 54 -5.042 -20.984 4.047 422 HH22 ARG 54 2HH1 ARG 54 -5.185 -22.237 2.873 423 H ASN 55 H ASN 55 -6.566 -14.464 3.680 424 HA ASN 55 HA ASN 55 -5.889 -11.862 3.062 425 HB2 ASN 55 2HB ASN 55 -8.088 -11.210 3.533 426 HB3 ASN 55 1HB ASN 55 -8.156 -12.831 2.863 427 HD21 ASN 55 1HD2 ASN 55 -7.731 -11.430 6.179 428 HD22 ASN 55 2HD2 ASN 55 -8.870 -12.451 6.918 429 H ARG 56 H ARG 56 -4.385 -12.945 5.514 430 HA ARG 56 HA ARG 56 -4.917 -11.831 7.850 431 HB2 ARG 56 2HB ARG 56 -2.248 -10.936 6.868 432 HB3 ARG 56 1HB ARG 56 -2.648 -11.728 8.377 433 HG2 ARG 56 2HG ARG 56 -2.430 -13.050 5.634 434 HG3 ARG 56 1HG ARG 56 -1.301 -13.177 6.938 435 HD2 ARG 56 2HD ARG 56 -3.766 -14.702 6.562 436 HD3 ARG 56 1HD ARG 56 -2.417 -15.045 7.602 437 HE ARG 56 HE ARG 56 -4.890 -13.743 8.323 438 HH11 ARG 56 1HH2 ARG 56 -1.518 -14.137 9.132 439 HH12 ARG 56 2HH2 ARG 56 -1.730 -13.809 10.796 440 HH21 ARG 56 1HH1 ARG 56 -5.178 -13.298 10.564 441 HH22 ARG 56 2HH1 ARG 56 -3.843 -13.314 11.617 442 HA PRO 57 HA PRO 57 -6.200 -7.780 6.695 443 HB2 PRO 57 2HB PRO 57 -6.170 -7.020 9.489 444 HB3 PRO 57 1HB PRO 57 -7.524 -7.146 8.380 445 HG2 PRO 57 2HG PRO 57 -6.726 -9.090 10.347 446 HG3 PRO 57 1HG PRO 57 -8.115 -9.116 9.265 447 HD2 PRO 57 2HD PRO 57 -5.963 -10.834 9.092 448 HD3 PRO 57 1HD PRO 57 -7.055 -10.522 7.723 449 H ILE 58 H ILE 58 -5.428 -5.650 6.734 450 HA ILE 58 HA ILE 58 -3.056 -4.917 6.080 451 HB ILE 58 HB ILE 58 -4.613 -3.455 8.207 452 HG12 ILE 58 2HG1 ILE 58 -4.525 -2.957 5.221 453 HG13 ILE 58 1HG1 ILE 58 -5.734 -4.005 5.949 454 HG21 ILE 58 1HG2 ILE 58 -3.445 -1.552 7.722 455 HG22 ILE 58 2HG2 ILE 58 -2.694 -2.189 6.258 456 HG23 ILE 58 3HG2 ILE 58 -2.135 -2.717 7.848 457 HD11 ILE 58 3HD1 ILE 58 -5.281 -1.218 6.970 458 HD12 ILE 58 1HD1 ILE 58 -6.689 -2.255 7.179 459 HD13 ILE 58 2HD1 ILE 58 -6.348 -1.535 5.604 460 H VAL 59 H VAL 59 -1.418 -6.288 6.792 461 HA VAL 59 HA VAL 59 -0.073 -5.394 9.187 462 HB VAL 59 HB VAL 59 0.709 -7.747 9.594 463 HG11 VAL 59 1HG1 VAL 59 -0.883 -7.015 11.129 464 HG12 VAL 59 2HG1 VAL 59 -1.579 -8.515 10.551 465 HG13 VAL 59 3HG1 VAL 59 -2.183 -6.968 9.954 466 HG21 VAL 59 3HG2 VAL 59 -1.677 -8.683 7.978 467 HG22 VAL 59 1HG2 VAL 59 -0.276 -9.596 8.521 468 HG23 VAL 59 2HG2 VAL 59 -0.125 -8.442 7.193 469 H SER 60 H SER 60 2.277 -6.006 8.976 470 HA SER 60 HA SER 60 2.998 -6.272 6.136 471 HB2 SER 60 2HB SER 60 4.896 -4.815 6.418 472 HB3 SER 60 1HB SER 60 3.473 -4.014 7.061 473 HG SER 60 HG SER 60 4.170 -4.271 9.052 474 H THR 61 H THR 61 4.270 -7.950 5.618 475 HA THR 61 HA THR 61 4.805 -9.883 7.613 476 HB THR 61 HB THR 61 5.648 -11.238 5.882 477 HG1 THR 61 1HG THR 61 6.911 -9.028 5.193 478 HG21 THR 61 3HG2 THR 61 3.942 -11.187 4.338 479 HG22 THR 61 1HG2 THR 61 4.074 -9.453 4.073 480 HG23 THR 61 2HG2 THR 61 3.267 -10.069 5.508 481 H LYS 62 H LYS 62 6.485 -10.011 8.964 482 HA LYS 62 HA LYS 62 8.565 -7.973 8.782 483 HB2 LYS 62 2HB LYS 62 8.144 -10.084 10.910 484 HB3 LYS 62 1HB LYS 62 9.171 -8.658 10.998 485 HG2 LYS 62 2HG LYS 62 6.148 -8.539 10.633 486 HG3 LYS 62 1HG LYS 62 6.968 -8.374 12.177 487 HD2 LYS 62 2HD LYS 62 8.209 -6.424 11.337 488 HD3 LYS 62 1HD LYS 62 7.378 -6.543 9.785 489 HE2 LYS 62 2HE LYS 62 5.787 -6.388 12.330 490 HE3 LYS 62 1HE LYS 62 6.439 -4.927 11.630 491 HZ1 LYS 62 3HZ LYS 62 4.676 -6.864 10.147 492 HZ2 LYS 62 1HZ LYS 62 5.263 -5.425 9.528 493 HZ3 LYS 62 2HZ LYS 62 4.196 -5.364 10.765 494 H LYS 63 H LYS 63 9.984 -8.591 7.186 495 HA LYS 63 HA LYS 63 11.338 -11.172 7.673 496 HB2 LYS 63 2HB LYS 63 11.200 -9.621 5.087 497 HB3 LYS 63 1HB LYS 63 12.057 -11.142 5.340 498 HG2 LYS 63 2HG LYS 63 9.807 -12.083 6.166 499 HG3 LYS 63 1HG LYS 63 9.057 -10.682 5.437 500 HD2 LYS 63 2HD LYS 63 10.890 -12.540 3.895 501 HD3 LYS 63 1HD LYS 63 9.149 -12.766 3.992 502 HE2 LYS 63 2HE LYS 63 8.904 -10.376 3.139 503 HE3 LYS 63 1HE LYS 63 10.639 -10.428 2.796 504 HZ1 LYS 63 3HZ LYS 63 9.678 -11.095 0.838 505 HZ2 LYS 63 1HZ LYS 63 8.465 -12.010 1.579 506 HZ3 LYS 63 2HZ LYS 63 10.086 -12.562 1.561 507 H LEU 64 H LEU 64 13.012 -10.801 8.883 508 HA LEU 64 HA LEU 64 14.567 -8.365 8.457 509 HB2 LEU 64 2HB LEU 64 13.994 -8.831 10.776 510 HB3 LEU 64 1HB LEU 64 14.660 -10.451 10.652 511 HG LEU 64 HG LEU 64 16.934 -9.560 10.400 512 HD11 LEU 64 1HD1 LEU 64 15.587 -6.849 10.538 513 HD12 LEU 64 2HD1 LEU 64 16.392 -7.498 9.090 514 HD13 LEU 64 3HD1 LEU 64 17.315 -7.129 10.536 515 HD21 LEU 64 3HD2 LEU 64 15.403 -8.103 12.553 516 HD22 LEU 64 1HD2 LEU 64 17.136 -8.407 12.571 517 HD23 LEU 64 2HD2 LEU 64 15.996 -9.759 12.701 518 H ASP 65 H ASP 65 16.301 -8.350 7.297 519 HA ASP 65 HA ASP 65 17.410 -10.941 6.433 520 HB2 ASP 65 2HB ASP 65 16.170 -9.130 4.880 521 HB3 ASP 65 1HB ASP 65 17.784 -8.474 4.828 522 H LYS 66 H LYS 66 19.577 -10.233 5.204 523 HA LYS 66 HA LYS 66 21.631 -9.850 7.073 524 HB2 LYS 66 2HB LYS 66 23.078 -9.447 5.194 525 HB3 LYS 66 1HB LYS 66 21.934 -10.700 4.730 526 HG2 LYS 66 2HG LYS 66 20.978 -7.931 4.109 527 HG3 LYS 66 1HG LYS 66 22.436 -8.406 3.279 528 HD2 LYS 66 2HD LYS 66 21.436 -10.047 2.070 529 HD3 LYS 66 1HD LYS 66 20.239 -10.416 3.306 530 HE2 LYS 66 2HE LYS 66 19.159 -8.163 2.793 531 HE3 LYS 66 1HE LYS 66 20.226 -8.031 1.404 532 HZ1 LYS 66 3HZ LYS 66 17.973 -9.859 1.875 533 HZ2 LYS 66 1HZ LYS 66 19.241 -10.436 0.945 534 HZ3 LYS 66 2HZ LYS 66 18.416 -9.057 0.456 535 H GLU 67 H GLU 67 19.426 -7.652 5.744 536 HA GLU 67 HA GLU 67 20.832 -5.288 5.561 537 HB2 GLU 67 2HB GLU 67 17.934 -5.734 6.310 538 HB3 GLU 67 1HB GLU 67 18.607 -4.198 5.797 539 HG2 GLU 67 2HG GLU 67 18.594 -6.752 4.161 540 HG3 GLU 67 1HG GLU 67 17.562 -5.363 3.899 541 H GLY 68 H GLY 68 19.483 -6.923 8.326 542 HA2 GLY 68 2HA GLY 68 19.898 -6.547 10.599 543 HA3 GLY 68 1HA GLY 68 20.821 -5.110 10.163 544 H ARG 69 H ARG 69 18.082 -5.046 8.383 545 HA ARG 69 HA ARG 69 16.521 -3.480 10.355 546 HB2 ARG 69 2HB ARG 69 16.502 -3.068 7.318 547 HB3 ARG 69 1HB ARG 69 15.767 -2.110 8.589 548 HG2 ARG 69 2HG ARG 69 18.748 -2.482 8.421 549 HG3 ARG 69 1HG ARG 69 17.919 -1.176 7.600 550 HD2 ARG 69 2HD ARG 69 16.857 -0.842 10.078 551 HD3 ARG 69 1HD ARG 69 18.358 -1.650 10.480 552 HE ARG 69 HE ARG 69 19.579 0.169 9.735 553 HH11 ARG 69 1HH2 ARG 69 16.176 0.512 9.056 554 HH12 ARG 69 2HH2 ARG 69 16.254 2.123 8.513 555 HH21 ARG 69 1HH1 ARG 69 19.754 2.343 8.960 556 HH22 ARG 69 2HH1 ARG 69 18.361 3.174 8.451 557 H THR 70 H THR 70 14.521 -4.400 10.642 558 HA THR 70 HA THR 70 13.847 -6.796 9.271 559 HB THR 70 HB THR 70 11.884 -5.097 10.761 560 HG1 THR 70 1HG THR 70 12.777 -5.570 12.574 561 HG21 THR 70 3HG2 THR 70 11.676 -7.602 9.586 562 HG22 THR 70 1HG2 THR 70 10.626 -6.943 10.833 563 HG23 THR 70 2HG2 THR 70 11.974 -7.976 11.282 564 H HIS 71 H HIS 71 12.824 -7.031 7.336 565 HA HIS 71 HA HIS 71 11.953 -4.657 5.904 566 HB2 HIS 71 2HB HIS 71 13.265 -6.789 5.026 567 HB3 HIS 71 1HB HIS 71 11.649 -7.445 4.867 568 HD1 HIS 71 1HD HIS 71 14.030 -5.998 2.799 569 HD2 HIS 71 2HD HIS 71 9.971 -5.050 3.356 570 HE1 HIS 71 1HE HIS 71 13.255 -4.744 0.731 571 HE2 HIS 71 2HE HIS 71 10.806 -4.213 1.030 572 H HIS 72 H HIS 72 9.937 -3.974 6.033 573 HA HIS 72 HA HIS 72 7.774 -5.764 6.924 574 HB2 HIS 72 2HB HIS 72 8.035 -2.772 6.620 575 HB3 HIS 72 1HB HIS 72 6.495 -3.548 6.877 576 HD1 HIS 72 1HD HIS 72 6.154 -2.531 9.193 577 HD2 HIS 72 2HD HIS 72 9.668 -4.773 8.914 578 HE1 HIS 72 1HE HIS 72 7.048 -2.781 11.544 579 HE2 HIS 72 2HE HIS 72 9.143 -4.178 11.404 580 H TYR 73 H TYR 73 6.767 -6.750 5.236 581 HA TYR 73 HA TYR 73 6.391 -5.225 2.727 582 HB2 TYR 73 2HB TYR 73 6.060 -8.197 3.273 583 HB3 TYR 73 1HB TYR 73 5.681 -7.408 1.767 584 HD1 TYR 73 1HD TYR 73 8.512 -8.178 4.099 585 HD2 TYR 73 2HD TYR 73 7.369 -6.786 0.176 586 HE1 TYR 73 1HE TYR 73 10.848 -8.331 3.337 587 HE2 TYR 73 2HE TYR 73 9.708 -6.948 -0.551 588 HH TYR 73 HH TYR 73 12.210 -7.082 1.471 589 H MET 74 H MET 74 4.569 -4.061 2.897 590 HA MET 74 HA MET 74 2.218 -5.296 4.226 591 HB2 MET 74 2HB MET 74 3.251 -3.235 5.334 592 HB3 MET 74 1HB MET 74 2.841 -2.367 3.873 593 HG2 MET 74 2HG MET 74 0.467 -2.804 4.161 594 HG3 MET 74 1HG MET 74 0.788 -3.858 5.532 595 HE1 MET 74 3HE MET 74 0.886 0.593 5.076 596 HE2 MET 74 1HE MET 74 1.324 -0.655 3.896 597 HE3 MET 74 2HE MET 74 2.536 0.001 4.989 598 H ARG 75 H ARG 75 0.550 -5.692 2.956 599 HA ARG 75 HA ARG 75 0.187 -4.052 0.554 600 HB2 ARG 75 2HB ARG 75 -0.729 -6.184 -0.531 601 HB3 ARG 75 1HB ARG 75 1.020 -6.027 -0.419 602 HG2 ARG 75 2HG ARG 75 1.034 -7.432 1.623 603 HG3 ARG 75 1HG ARG 75 -0.717 -7.572 1.553 604 HD2 ARG 75 2HD ARG 75 0.281 -9.570 0.572 605 HD3 ARG 75 1HD ARG 75 -0.518 -8.640 -0.693 606 HE ARG 75 HE ARG 75 2.200 -7.847 -0.491 607 HH11 ARG 75 1HH2 ARG 75 0.194 -10.473 -1.595 608 HH12 ARG 75 2HH2 ARG 75 1.326 -11.042 -2.740 609 HH21 ARG 75 1HH1 ARG 75 3.700 -8.585 -2.047 610 HH22 ARG 75 2HH1 ARG 75 3.362 -9.938 -3.017 611 H PHE 76 H PHE 76 -1.845 -3.365 0.239 612 HA PHE 76 HA PHE 76 -4.031 -4.749 1.491 613 HB2 PHE 76 2HB PHE 76 -4.920 -2.718 2.657 614 HB3 PHE 76 1HB PHE 76 -3.433 -3.356 3.362 615 HD1 PHE 76 2HD PHE 76 -1.306 -2.136 3.072 616 HD2 PHE 76 1HD PHE 76 -5.000 -0.561 1.525 617 HE1 PHE 76 2HE PHE 76 -0.260 0.094 2.819 618 HE2 PHE 76 1HE PHE 76 -3.933 1.668 1.287 619 HZ PHE 76 HZ PHE 76 -1.580 1.990 1.928 620 H HIS 77 H HIS 77 -6.092 -4.139 0.799 621 HA HIS 77 HA HIS 77 -5.993 -3.003 -1.905 622 HB2 HIS 77 2HB HIS 77 -7.303 -5.306 -0.784 623 HB3 HIS 77 1HB HIS 77 -8.527 -4.194 -1.368 624 HD1 HIS 77 1HD HIS 77 -6.063 -6.690 -2.560 625 HD2 HIS 77 2HD HIS 77 -8.119 -3.424 -4.201 626 HE1 HIS 77 1HE HIS 77 -5.817 -6.866 -5.024 627 HE2 HIS 77 2HE HIS 77 -7.074 -4.941 -6.082 628 H VAL 78 H VAL 78 -7.387 -1.371 -2.514 629 HA VAL 78 HA VAL 78 -9.043 -0.261 -0.368 630 HB VAL 78 HB VAL 78 -8.309 1.948 -0.727 631 HG11 VAL 78 1HG1 VAL 78 -5.761 0.395 -1.156 632 HG12 VAL 78 2HG1 VAL 78 -6.629 0.356 0.375 633 HG13 VAL 78 3HG1 VAL 78 -5.980 1.881 -0.236 634 HG21 VAL 78 3HG2 VAL 78 -6.716 2.518 -2.616 635 HG22 VAL 78 1HG2 VAL 78 -8.329 2.061 -3.145 636 HG23 VAL 78 2HG2 VAL 78 -6.997 0.901 -3.264 637 H GLU 79 H GLU 79 -10.829 0.937 -1.067 638 HA GLU 79 HA GLU 79 -11.555 0.425 -3.868 639 HB2 GLU 79 2HB GLU 79 -13.386 0.299 -1.462 640 HB3 GLU 79 1HB GLU 79 -13.955 0.375 -3.130 641 HG2 GLU 79 2HG GLU 79 -12.720 -1.647 -3.693 642 HG3 GLU 79 1HG GLU 79 -12.058 -1.738 -2.067 643 H SER 80 H SER 80 -11.811 2.002 -5.045 644 HA SER 80 HA SER 80 -11.810 4.736 -3.982 645 HB2 SER 80 2HB SER 80 -11.706 4.323 -6.894 646 HB3 SER 80 1HB SER 80 -10.669 5.220 -5.794 647 HG SER 80 HG SER 80 -10.672 2.392 -6.163 648 H LYS 81 H LYS 81 -12.937 6.151 -5.904 649 HA LYS 81 HA LYS 81 -15.667 5.979 -5.188 650 HB2 LYS 81 2HB LYS 81 -14.518 7.418 -7.611 651 HB3 LYS 81 1HB LYS 81 -16.046 7.671 -6.807 652 HG2 LYS 81 2HG LYS 81 -13.337 8.194 -5.527 653 HG3 LYS 81 1HG LYS 81 -14.464 9.389 -6.154 654 HD2 LYS 81 2HD LYS 81 -16.147 8.165 -4.545 655 HD3 LYS 81 1HD LYS 81 -14.700 7.720 -3.674 656 HE2 LYS 81 2HE LYS 81 -14.710 10.592 -4.468 657 HE3 LYS 81 1HE LYS 81 -16.000 10.152 -3.384 658 HZ1 LYS 81 3HZ LYS 81 -13.861 10.902 -2.441 659 HZ2 LYS 81 1HZ LYS 81 -13.191 9.378 -2.723 660 HZ3 LYS 81 2HZ LYS 81 -14.564 9.590 -1.705 661 H LYS 82 H LYS 82 -13.804 4.781 -7.907 662 HA LYS 82 HA LYS 82 -16.232 3.439 -8.982 663 HB2 LYS 82 2HB LYS 82 -13.952 4.499 -10.667 664 HB3 LYS 82 1HB LYS 82 -15.502 3.886 -11.202 665 HG2 LYS 82 2HG LYS 82 -15.193 6.376 -9.483 666 HG3 LYS 82 1HG LYS 82 -15.385 6.381 -11.229 667 HD2 LYS 82 2HD LYS 82 -17.616 5.491 -11.104 668 HD3 LYS 82 1HD LYS 82 -17.419 4.992 -9.440 669 HE2 LYS 82 2HE LYS 82 -18.797 7.037 -9.618 670 HE3 LYS 82 1HE LYS 82 -17.332 7.312 -8.688 671 HZ1 LYS 82 3HZ LYS 82 -16.655 7.858 -11.328 672 HZ2 LYS 82 1HZ LYS 82 -16.911 8.990 -10.101 673 HZ3 LYS 82 2HZ LYS 82 -18.172 8.519 -11.118 674 H LYS 83 H LYS 83 -12.852 3.157 -8.162 675 HA LYS 83 HA LYS 83 -12.806 0.415 -9.253 676 HB2 LYS 83 2HB LYS 83 -10.563 2.396 -9.035 677 HB3 LYS 83 1HB LYS 83 -10.403 0.716 -9.544 678 HG2 LYS 83 2HG LYS 83 -12.076 1.124 -11.335 679 HG3 LYS 83 1HG LYS 83 -12.081 2.831 -10.910 680 HD2 LYS 83 2HD LYS 83 -9.636 2.926 -11.309 681 HD3 LYS 83 1HD LYS 83 -9.719 1.217 -11.794 682 HE2 LYS 83 2HE LYS 83 -11.557 1.973 -13.408 683 HE3 LYS 83 1HE LYS 83 -10.960 3.591 -13.139 684 HZ1 LYS 83 3HZ LYS 83 -9.139 3.258 -14.403 685 HZ2 LYS 83 1HZ LYS 83 -9.928 1.906 -14.976 686 HZ3 LYS 83 2HZ LYS 83 -8.804 1.728 -13.736 687 H ILE 84 H ILE 84 -11.386 -1.080 -8.284 688 HA ILE 84 HA ILE 84 -10.921 -0.727 -5.387 689 HB ILE 84 HB ILE 84 -10.766 -3.330 -6.909 690 HG12 ILE 84 2HG1 ILE 84 -13.212 -3.367 -5.643 691 HG13 ILE 84 1HG1 ILE 84 -13.191 -1.736 -6.290 692 HG21 ILE 84 1HG2 ILE 84 -11.836 -3.651 -4.323 693 HG22 ILE 84 2HG2 ILE 84 -10.538 -2.489 -4.128 694 HG23 ILE 84 3HG2 ILE 84 -10.217 -4.063 -4.853 695 HD11 ILE 84 3HD1 ILE 84 -12.864 -4.333 -7.792 696 HD12 ILE 84 1HD1 ILE 84 -12.459 -2.773 -8.513 697 HD13 ILE 84 2HD1 ILE 84 -14.114 -3.104 -8.005 698 H ALA 85 H ALA 85 -8.815 -0.407 -4.869 699 HA ALA 85 HA ALA 85 -6.781 -1.087 -6.920 700 HB1 ALA 85 1HB ALA 85 -5.922 0.992 -5.082 701 HB2 ALA 85 2HB ALA 85 -7.388 1.457 -5.941 702 HB3 ALA 85 3HB ALA 85 -5.948 0.976 -6.841 703 H LEU 86 H LEU 86 -4.713 -1.650 -6.235 704 HA LEU 86 HA LEU 86 -4.622 -2.913 -3.566 705 HB2 LEU 86 2HB LEU 86 -4.464 -4.599 -5.212 706 HB3 LEU 86 1HB LEU 86 -3.396 -3.649 -6.217 707 HG LEU 86 HG LEU 86 -1.617 -3.832 -4.435 708 HD11 LEU 86 1HD1 LEU 86 -2.805 -4.140 -2.451 709 HD12 LEU 86 2HD1 LEU 86 -2.071 -5.710 -2.772 710 HD13 LEU 86 3HD1 LEU 86 -3.787 -5.451 -3.119 711 HD21 LEU 86 3HD2 LEU 86 -1.686 -5.449 -6.312 712 HD22 LEU 86 1HD2 LEU 86 -2.777 -6.472 -5.375 713 HD23 LEU 86 2HD2 LEU 86 -1.127 -6.214 -4.822 714 H VAL 87 H VAL 87 -3.136 -2.198 -2.149 715 HA VAL 87 HA VAL 87 -1.014 -0.397 -3.161 716 HB VAL 87 HB VAL 87 -2.417 -0.332 -0.483 717 HG11 VAL 87 1HG1 VAL 87 -1.191 2.008 -0.543 718 HG12 VAL 87 2HG1 VAL 87 -0.110 1.194 -1.676 719 HG13 VAL 87 3HG1 VAL 87 -0.315 0.565 -0.040 720 HG21 VAL 87 3HG2 VAL 87 -3.276 1.900 -1.384 721 HG22 VAL 87 1HG2 VAL 87 -3.939 0.477 -2.179 722 HG23 VAL 87 2HG2 VAL 87 -2.669 1.406 -2.964 723 H HIS 88 H HIS 88 1.010 -0.944 -2.736 724 HA HIS 88 HA HIS 88 1.546 -3.052 -0.724 725 HB2 HIS 88 2HB HIS 88 1.752 -4.091 -2.875 726 HB3 HIS 88 1HB HIS 88 2.629 -2.703 -3.510 727 HD1 HIS 88 1HD HIS 88 4.329 -4.819 -4.119 728 HD2 HIS 88 2HD HIS 88 4.194 -3.630 -0.106 729 HE1 HIS 88 1HE HIS 88 6.400 -5.759 -2.989 730 HE2 HIS 88 2HE HIS 88 6.360 -5.015 -0.599 731 H LEU 89 H LEU 89 2.835 -2.351 0.823 732 HA LEU 89 HA LEU 89 4.802 -0.226 0.225 733 HB2 LEU 89 2HB LEU 89 2.911 0.644 1.551 734 HB3 LEU 89 1HB LEU 89 3.240 -0.560 2.782 735 HG LEU 89 HG LEU 89 5.598 1.073 1.952 736 HD11 LEU 89 1HD1 LEU 89 3.837 2.403 3.945 737 HD12 LEU 89 2HD1 LEU 89 3.413 2.590 2.238 738 HD13 LEU 89 3HD1 LEU 89 5.005 3.062 2.808 739 HD21 LEU 89 3HD2 LEU 89 5.047 -0.721 3.990 740 HD22 LEU 89 1HD2 LEU 89 4.835 0.835 4.797 741 HD23 LEU 89 2HD2 LEU 89 6.348 0.449 3.991 742 H GLU 90 H GLU 90 6.827 -0.537 0.871 743 HA GLU 90 HA GLU 90 7.309 -2.782 2.660 744 HB2 GLU 90 2HB GLU 90 9.036 -1.859 0.379 745 HB3 GLU 90 1HB GLU 90 9.602 -2.933 1.652 746 HG2 GLU 90 2HG GLU 90 7.907 -4.541 1.172 747 HG3 GLU 90 1HG GLU 90 7.151 -3.499 -0.017 748 H ALA 91 H ALA 91 8.391 -2.319 4.465 749 HA ALA 91 HA ALA 91 9.863 0.205 4.581 750 HB1 ALA 91 1HB ALA 91 8.922 0.878 6.638 751 HB2 ALA 91 2HB ALA 91 8.178 -0.696 6.911 752 HB3 ALA 91 3HB ALA 91 7.545 0.373 5.663 753 H LYS 92 H LYS 92 11.610 0.216 6.102 754 HA LYS 92 HA LYS 92 12.214 -2.457 7.149 755 HB2 LYS 92 2HB LYS 92 14.633 -1.960 6.997 756 HB3 LYS 92 1HB LYS 92 13.826 -2.076 5.452 757 HG2 LYS 92 2HG LYS 92 13.783 0.346 5.196 758 HG3 LYS 92 1HG LYS 92 14.374 0.576 6.838 759 HD2 LYS 92 2HD LYS 92 16.522 -0.309 6.338 760 HD3 LYS 92 1HD LYS 92 15.976 -1.025 4.835 761 HE2 LYS 92 2HE LYS 92 17.362 1.077 4.617 762 HE3 LYS 92 1HE LYS 92 15.819 1.046 3.766 763 HZ1 LYS 92 3HZ LYS 92 15.538 2.230 6.439 764 HZ2 LYS 92 1HZ LYS 92 15.137 2.801 4.906 765 HZ3 LYS 92 2HZ LYS 92 16.668 2.993 5.473 766 H GLU 93 H GLU 93 12.359 -2.668 9.244 767 HA GLU 93 HA GLU 93 11.874 -0.549 11.045 768 HB2 GLU 93 2HB GLU 93 13.114 -3.268 11.522 769 HB3 GLU 93 1HB GLU 93 12.649 -2.155 12.805 770 HG2 GLU 93 2HG GLU 93 10.303 -2.226 12.041 771 HG3 GLU 93 1HG GLU 93 10.781 -3.264 10.701 772 H SER 94 H SER 94 13.163 1.069 11.584 773 HA SER 94 HA SER 94 16.028 0.881 11.189 774 HB2 SER 94 2HB SER 94 14.157 3.026 12.124 775 HB3 SER 94 1HB SER 94 15.868 3.158 12.496 776 HG SER 94 HG SER 94 14.545 3.434 10.038 777 H LYS 95 H LYS 95 17.546 1.061 12.910 778 HA LYS 95 HA LYS 95 16.971 -0.784 14.967 779 HB2 LYS 95 2HB LYS 95 19.228 1.209 14.855 780 HB3 LYS 95 1HB LYS 95 19.194 -0.269 15.804 781 HG2 LYS 95 2HG LYS 95 19.555 0.081 12.830 782 HG3 LYS 95 1HG LYS 95 20.435 -0.920 13.974 783 HD2 LYS 95 2HD LYS 95 17.537 -1.539 13.172 784 HD3 LYS 95 1HD LYS 95 18.936 -2.165 12.343 785 HE2 LYS 95 2HE LYS 95 19.370 -2.604 15.135 786 HE3 LYS 95 1HE LYS 95 17.750 -3.165 14.720 787 HZ1 LYS 95 3HZ LYS 95 18.962 -4.210 12.681 788 HZ2 LYS 95 1HZ LYS 95 18.976 -4.986 14.170 789 HZ3 LYS 95 2HZ LYS 95 20.334 -4.110 13.672 790 H GLN 96 H GLN 96 17.277 2.706 14.936 791 HA GLN 96 HA GLN 96 16.512 2.805 17.784 792 HB2 GLN 96 2HB GLN 96 17.882 4.891 16.091 793 HB3 GLN 96 1HB GLN 96 17.670 4.920 17.840 794 HG2 GLN 96 2HG GLN 96 19.277 3.284 18.214 795 HG3 GLN 96 1HG GLN 96 18.975 2.468 16.703 796 HE21 GLN 96 1HE2 GLN 96 19.888 3.415 14.728 797 HE22 GLN 96 2HE2 GLN 96 21.223 4.448 14.831 798 H ASN 97 H ASN 97 15.188 3.406 14.763 799 HA ASN 97 HA ASN 97 13.325 5.439 15.841 800 HB2 ASN 97 2HB ASN 97 14.451 5.681 13.463 801 HB3 ASN 97 1HB ASN 97 13.199 4.503 13.026 802 HD21 ASN 97 1HD2 ASN 97 11.901 5.968 11.772 803 HD22 ASN 97 2HD2 ASN 97 11.058 7.243 12.496 804 H TYR 98 H TYR 98 11.202 5.051 16.107 805 HA TYR 98 HA TYR 98 10.319 2.420 16.587 806 HB2 TYR 98 2HB TYR 98 8.751 4.975 16.207 807 HB3 TYR 98 1HB TYR 98 8.075 3.463 16.783 808 HD1 TYR 98 1HD TYR 98 10.568 6.107 17.541 809 HD2 TYR 98 2HD TYR 98 8.408 2.700 19.015 810 HE1 TYR 98 1HE TYR 98 11.309 6.632 19.844 811 HE2 TYR 98 2HE TYR 98 9.146 3.215 21.310 812 HH TYR 98 HH TYR 98 10.744 4.398 22.453 813 H GLN 99 H GLN 99 9.659 4.657 13.930 814 HA GLN 99 HA GLN 99 8.050 2.645 12.614 815 HB2 GLN 99 2HB GLN 99 8.721 5.452 11.724 816 HB3 GLN 99 1HB GLN 99 7.523 4.412 10.967 817 HG2 GLN 99 2HG GLN 99 7.272 4.932 13.928 818 HG3 GLN 99 1HG GLN 99 6.852 6.210 12.807 819 HE21 GLN 99 1HE2 GLN 99 6.247 2.640 13.005 820 HE22 GLN 99 2HE2 GLN 99 4.616 2.774 12.572 821 HA PRO 100 HA PRO 100 11.454 1.193 10.139 822 HB2 PRO 100 2HB PRO 100 10.045 -0.144 8.262 823 HB3 PRO 100 1HB PRO 100 10.238 -0.782 9.902 824 HG2 PRO 100 2HG PRO 100 7.953 0.715 8.734 825 HG3 PRO 100 1HG PRO 100 7.950 -0.751 9.753 826 HD2 PRO 100 2HD PRO 100 7.424 1.669 10.804 827 HD3 PRO 100 1HD PRO 100 8.333 0.444 11.722 828 H ASP 101 H ASP 101 12.422 1.813 8.220 829 HA ASP 101 HA ASP 101 11.539 4.288 7.033 830 HB2 ASP 101 2HB ASP 101 13.614 2.440 5.915 831 HB3 ASP 101 1HB ASP 101 13.532 4.185 5.739 832 H PHE 102 H PHE 102 10.454 4.557 5.103 833 HA PHE 102 HA PHE 102 9.153 2.263 3.935 834 HB2 PHE 102 2HB PHE 102 9.247 5.143 2.973 835 HB3 PHE 102 1HB PHE 102 8.255 3.859 2.310 836 HD1 PHE 102 1HD PHE 102 6.740 2.570 3.973 837 HD2 PHE 102 2HD PHE 102 8.403 6.449 4.754 838 HE1 PHE 102 1HE PHE 102 4.987 2.978 5.660 839 HE2 PHE 102 2HE PHE 102 6.653 6.863 6.447 840 HZ PHE 102 HZ PHE 102 4.928 5.098 6.901 841 H ILE 103 H ILE 103 10.573 0.905 2.973 842 HA ILE 103 HA ILE 103 12.728 1.806 1.276 843 HB ILE 103 HB ILE 103 11.442 -0.928 1.537 844 HG12 ILE 103 2HG1 ILE 103 14.166 0.075 2.442 845 HG13 ILE 103 1HG1 ILE 103 12.752 0.010 3.501 846 HG21 ILE 103 1HG2 ILE 103 12.386 -1.007 -0.607 847 HG22 ILE 103 2HG2 ILE 103 13.745 -1.531 0.373 848 HG23 ILE 103 3HG2 ILE 103 13.670 0.124 -0.209 849 HD11 ILE 103 3HD1 ILE 103 14.461 -2.013 3.393 850 HD12 ILE 103 1HD1 ILE 103 13.507 -2.469 1.991 851 HD13 ILE 103 2HD1 ILE 103 12.727 -2.312 3.557 852 H ASN 104 H ASN 104 9.488 0.532 0.728 853 HA ASN 104 HA ASN 104 9.437 1.773 -1.945 854 HB2 ASN 104 2HB ASN 104 10.370 -0.563 -2.116 855 HB3 ASN 104 1HB ASN 104 8.815 -1.149 -1.542 856 HD21 ASN 104 1HD2 ASN 104 9.816 -1.755 -4.098 857 HD22 ASN 104 2HD2 ASN 104 8.810 -1.058 -5.282 858 H MET 105 H MET 105 7.268 1.863 -2.731 859 HA MET 105 HA MET 105 5.154 0.638 -1.510 860 HB2 MET 105 2HB MET 105 4.353 1.928 0.155 861 HB3 MET 105 1HB MET 105 5.906 2.747 0.130 862 HG2 MET 105 2HG MET 105 4.266 4.452 0.007 863 HG3 MET 105 1HG MET 105 4.903 4.301 -1.615 864 HE1 MET 105 3HE MET 105 2.270 3.701 0.889 865 HE2 MET 105 1HE MET 105 2.144 2.009 0.372 866 HE3 MET 105 2HE MET 105 0.829 3.122 0.066 867 H TYR 106 H TYR 106 3.595 0.457 -2.965 868 HA TYR 106 HA TYR 106 3.144 2.648 -4.823 869 HB2 TYR 106 2HB TYR 106 3.369 1.241 -6.817 870 HB3 TYR 106 1HB TYR 106 4.864 1.320 -5.895 871 HD1 TYR 106 1HD TYR 106 2.003 -0.830 -6.820 872 HD2 TYR 106 2HD TYR 106 5.752 -0.619 -4.713 873 HE1 TYR 106 1HE TYR 106 2.041 -3.278 -6.653 874 HE2 TYR 106 2HE TYR 106 5.793 -3.070 -4.544 875 HH TYR 106 HH TYR 106 4.155 -5.037 -6.381 876 H VAL 107 H VAL 107 1.321 2.355 -6.200 877 HA VAL 107 HA VAL 107 -0.823 0.748 -4.929 878 HB VAL 107 HB VAL 107 -0.841 3.501 -6.175 879 HG11 VAL 107 1HG1 VAL 107 -2.870 2.127 -6.806 880 HG12 VAL 107 2HG1 VAL 107 -3.179 3.613 -5.923 881 HG13 VAL 107 3HG1 VAL 107 -3.262 2.063 -5.081 882 HG21 VAL 107 3HG2 VAL 107 -0.525 4.150 -4.042 883 HG22 VAL 107 1HG2 VAL 107 -0.633 2.494 -3.459 884 HG23 VAL 107 2HG2 VAL 107 -2.091 3.461 -3.635 885 H ASP 108 H ASP 108 -1.819 -0.667 -6.226 886 HA ASP 108 HA ASP 108 -1.363 -0.572 -9.154 887 HB2 ASP 108 2HB ASP 108 -0.950 -2.774 -7.653 888 HB3 ASP 108 1HB ASP 108 -2.665 -2.788 -7.673 889 H VAL 109 H VAL 109 -2.940 0.625 -10.079 890 HA VAL 109 HA VAL 109 -5.669 0.316 -9.070 891 HB VAL 109 HB VAL 109 -4.618 2.469 -10.913 892 HG11 VAL 109 1HG1 VAL 109 -7.118 2.402 -9.185 893 HG12 VAL 109 2HG1 VAL 109 -7.117 2.025 -10.910 894 HG13 VAL 109 3HG1 VAL 109 -6.675 3.633 -10.359 895 HG21 VAL 109 3HG2 VAL 109 -4.556 2.144 -7.957 896 HG22 VAL 109 1HG2 VAL 109 -5.067 3.724 -8.536 897 HG23 VAL 109 2HG2 VAL 109 -3.493 3.084 -9.002 898 HA PRO 110 HA PRO 110 -6.584 -2.161 -12.681 899 HB2 PRO 110 2HB PRO 110 -9.349 -1.118 -12.278 900 HB3 PRO 110 1HB PRO 110 -8.766 -2.785 -12.424 901 HG2 PRO 110 2HG PRO 110 -9.467 -1.830 -10.074 902 HG3 PRO 110 1HG PRO 110 -8.072 -2.907 -10.225 903 HD2 PRO 110 2HD PRO 110 -8.112 0.038 -9.768 904 HD3 PRO 110 1HD PRO 110 -6.971 -1.206 -9.202 905 H GLY 111 H GLY 111 -6.594 -1.709 -14.841 906 HA2 GLY 111 2HA GLY 111 -6.819 -0.620 -16.841 907 HA3 GLY 111 1HA GLY 111 -8.038 0.401 -16.094 908 H GLU 112 H GLU 112 -6.291 1.395 -14.000 909 HA GLU 112 HA GLU 112 -4.935 3.493 -15.499 910 HB2 GLU 112 2HB GLU 112 -5.547 3.084 -12.566 911 HB3 GLU 112 1HB GLU 112 -4.652 4.455 -13.219 912 HG2 GLU 112 2HG GLU 112 -7.399 3.692 -14.200 913 HG3 GLU 112 1HG GLU 112 -7.162 4.840 -12.885 914 H LYS 113 H LYS 113 -2.769 4.200 -14.817 915 HA LYS 113 HA LYS 113 -0.944 2.020 -14.825 916 HB2 LYS 113 2HB LYS 113 -0.349 4.931 -14.267 917 HB3 LYS 113 1HB LYS 113 0.762 3.715 -14.879 918 HG2 LYS 113 2HG LYS 113 -1.604 4.940 -16.324 919 HG3 LYS 113 1HG LYS 113 0.100 5.009 -16.758 920 HD2 LYS 113 2HD LYS 113 -0.087 2.396 -16.769 921 HD3 LYS 113 1HD LYS 113 -1.793 2.683 -16.984 922 HE2 LYS 113 2HE LYS 113 0.448 3.371 -18.874 923 HE3 LYS 113 1HE LYS 113 -1.116 2.613 -19.191 924 HZ1 LYS 113 3HZ LYS 113 -1.234 4.776 -20.031 925 HZ2 LYS 113 1HZ LYS 113 -0.555 5.476 -18.678 926 HZ3 LYS 113 2HZ LYS 113 -2.138 4.864 -18.606 927 H ARG 114 H ARG 114 0.427 1.343 -13.210 928 HA ARG 114 HA ARG 114 -0.530 1.533 -10.541 929 HB2 ARG 114 2HB ARG 114 1.232 0.109 -9.918 930 HB3 ARG 114 1HB ARG 114 0.872 -0.423 -11.559 931 HG2 ARG 114 2HG ARG 114 3.109 1.522 -10.785 932 HG3 ARG 114 1HG ARG 114 3.305 -0.182 -11.090 933 HD2 ARG 114 2HD ARG 114 3.792 0.552 -13.171 934 HD3 ARG 114 1HD ARG 114 2.057 0.421 -13.404 935 HE ARG 114 HE ARG 114 2.531 2.962 -12.372 936 HH11 ARG 114 1HH2 ARG 114 3.446 1.122 -15.217 937 HH12 ARG 114 2HH2 ARG 114 3.667 2.513 -16.186 938 HH21 ARG 114 1HH1 ARG 114 2.850 4.788 -13.680 939 HH22 ARG 114 2HH1 ARG 114 3.329 4.627 -15.303 940 H TYR 115 H TYR 115 0.416 2.611 -8.786 941 HA TYR 115 HA TYR 115 2.125 4.885 -9.618 942 HB2 TYR 115 2HB TYR 115 -0.245 5.429 -8.948 943 HB3 TYR 115 1HB TYR 115 0.160 4.887 -7.326 944 HD1 TYR 115 1HD TYR 115 0.754 7.458 -9.891 945 HD2 TYR 115 2HD TYR 115 1.711 6.163 -5.907 946 HE1 TYR 115 1HE TYR 115 1.717 9.676 -9.400 947 HE2 TYR 115 2HE TYR 115 2.679 8.401 -5.430 948 HH TYR 115 HH TYR 115 2.863 10.881 -7.956 949 H TYR 116 H TYR 116 4.091 4.857 -8.746 950 HA TYR 116 HA TYR 116 4.538 3.332 -6.262 951 HB2 TYR 116 2HB TYR 116 6.345 4.361 -8.429 952 HB3 TYR 116 1HB TYR 116 6.991 4.001 -6.828 953 HD1 TYR 116 1HD TYR 116 5.111 2.512 -9.723 954 HD2 TYR 116 2HD TYR 116 7.402 1.759 -6.145 955 HE1 TYR 116 1HE TYR 116 5.231 0.114 -10.287 956 HE2 TYR 116 2HE TYR 116 7.508 -0.614 -6.711 957 HH TYR 116 HH TYR 116 6.245 -2.252 -8.053 958 H LEU 117 H LEU 117 3.763 4.602 -4.725 959 HA LEU 117 HA LEU 117 4.092 7.422 -4.551 960 HB2 LEU 117 2HB LEU 117 2.320 6.210 -3.355 961 HB3 LEU 117 1HB LEU 117 3.528 5.366 -2.409 962 HG LEU 117 HG LEU 117 4.311 7.566 -1.495 963 HD11 LEU 117 1HD1 LEU 117 2.054 8.599 -3.213 964 HD12 LEU 117 2HD1 LEU 117 3.744 9.123 -3.175 965 HD13 LEU 117 3HD1 LEU 117 2.680 9.479 -1.823 966 HD21 LEU 117 3HD2 LEU 117 1.459 7.747 -0.856 967 HD22 LEU 117 1HD2 LEU 117 2.834 7.326 0.164 968 HD23 LEU 117 2HD2 LEU 117 2.050 6.084 -0.806 969 H ILE 118 H ILE 118 5.852 4.667 -3.241 970 HA ILE 118 HA ILE 118 8.094 6.482 -2.630 971 HB ILE 118 HB ILE 118 7.183 4.066 -1.043 972 HG12 ILE 118 2HG1 ILE 118 7.322 7.008 -0.260 973 HG13 ILE 118 1HG1 ILE 118 5.852 6.187 -0.755 974 HG21 ILE 118 1HG2 ILE 118 9.704 4.373 -1.163 975 HG22 ILE 118 2HG2 ILE 118 9.034 4.539 0.449 976 HG23 ILE 118 3HG2 ILE 118 9.474 5.975 -0.457 977 HD11 ILE 118 3HD1 ILE 118 7.402 5.916 1.758 978 HD12 ILE 118 1HD1 ILE 118 6.611 4.460 1.151 979 HD13 ILE 118 2HD1 ILE 118 5.662 5.904 1.511 980 H LYS 119 H LYS 119 9.863 5.972 -3.748 981 HA LYS 119 HA LYS 119 9.830 3.520 -5.307 982 HB2 LYS 119 2HB LYS 119 12.097 5.431 -5.574 983 HB3 LYS 119 1HB LYS 119 11.242 4.539 -6.816 984 HG2 LYS 119 2HG LYS 119 10.091 6.958 -5.330 985 HG3 LYS 119 1HG LYS 119 10.820 6.985 -6.921 986 HD2 LYS 119 2HD LYS 119 9.128 5.227 -7.639 987 HD3 LYS 119 1HD LYS 119 8.284 5.560 -6.119 988 HE2 LYS 119 2HE LYS 119 7.922 7.861 -6.718 989 HE3 LYS 119 1HE LYS 119 8.981 7.744 -8.121 990 HZ1 LYS 119 3HZ LYS 119 6.331 6.489 -7.696 991 HZ2 LYS 119 1HZ LYS 119 7.313 6.057 -9.027 992 HZ3 LYS 119 2HZ LYS 119 6.751 7.645 -8.802 993 HA PRO 120 HA PRO 120 12.836 1.509 -2.663 994 HB2 PRO 120 2HB PRO 120 13.537 -0.458 -4.360 995 HB3 PRO 120 1HB PRO 120 12.030 -0.491 -3.431 996 HG2 PRO 120 2HG PRO 120 12.435 0.209 -6.301 997 HG3 PRO 120 1HG PRO 120 11.103 -0.654 -5.503 998 HD2 PRO 120 2HD PRO 120 10.944 1.950 -6.271 999 HD3 PRO 120 1HD PRO 120 9.994 1.288 -4.929 1000 H LYS 121 H LYS 121 15.057 1.200 -2.571 1001 HA LYS 121 HA LYS 121 16.486 3.314 -3.752 1002 HB2 LYS 121 2HB LYS 121 18.156 1.129 -2.636 1003 HB3 LYS 121 1HB LYS 121 18.124 2.844 -2.269 1004 HG2 LYS 121 2HG LYS 121 16.261 0.703 -1.204 1005 HG3 LYS 121 1HG LYS 121 17.412 1.674 -0.314 1006 HD2 LYS 121 2HD LYS 121 15.238 3.179 -1.799 1007 HD3 LYS 121 1HD LYS 121 14.810 2.326 -0.343 1008 HE2 LYS 121 2HE LYS 121 17.107 4.270 -0.508 1009 HE3 LYS 121 1HE LYS 121 15.485 4.688 0.020 1010 HZ1 LYS 121 3HZ LYS 121 15.887 3.822 2.018 1011 HZ2 LYS 121 1HZ LYS 121 17.494 3.692 1.538 1012 HZ3 LYS 121 2HZ LYS 121 16.489 2.349 1.364 1013 H LEU 122 H LEU 122 15.578 2.291 -5.932 1014 HA LEU 122 HA LEU 122 17.039 0.241 -7.182 1015 HB2 LEU 122 2HB LEU 122 15.586 2.613 -8.387 1016 HB3 LEU 122 1HB LEU 122 16.213 1.265 -9.322 1017 HG LEU 122 HG LEU 122 14.203 1.005 -7.065 1018 HD11 LEU 122 1HD1 LEU 122 12.629 0.415 -8.956 1019 HD12 LEU 122 2HD1 LEU 122 13.851 1.029 -10.067 1020 HD13 LEU 122 3HD1 LEU 122 13.115 2.107 -8.885 1021 HD21 LEU 122 3HD2 LEU 122 14.011 -1.267 -8.585 1022 HD22 LEU 122 1HD2 LEU 122 14.967 -1.133 -7.123 1023 HD23 LEU 122 2HD2 LEU 122 15.742 -0.954 -8.695 1024 H HIS 123 H HIS 123 17.476 3.725 -7.051 1025 HA HIS 123 HA HIS 123 19.294 5.040 -7.250 1026 HB2 HIS 123 2HB HIS 123 20.840 2.441 -7.681 1027 HB3 HIS 123 1HB HIS 123 21.571 4.014 -7.809 1028 HD1 HIS 123 1HD HIS 123 19.521 2.042 -5.216 1029 HD2 HIS 123 2HD HIS 123 22.354 5.132 -5.404 1030 HE1 HIS 123 1HE HIS 123 20.134 2.628 -2.846 1031 HE2 HIS 123 2HE HIS 123 21.853 4.494 -2.939 1032 HA PRO 124 HA PRO 124 18.550 6.013 -11.452 1033 HB2 PRO 124 2HB PRO 124 20.226 8.059 -11.824 1034 HB3 PRO 124 1HB PRO 124 18.853 8.169 -10.718 1035 HG2 PRO 124 2HG PRO 124 21.724 7.969 -10.051 1036 HG3 PRO 124 1HG PRO 124 20.393 8.673 -9.144 1037 HD2 PRO 124 2HD PRO 124 21.538 6.088 -8.744 1038 HD3 PRO 124 1HD PRO 124 20.140 6.807 -7.906 1039 H VAL 125 H VAL 125 21.876 6.974 -11.532 1040 HA VAL 125 HA VAL 125 22.627 4.638 -13.174 1041 HB VAL 125 HB VAL 125 23.637 7.488 -13.428 1042 HG11 VAL 125 1HG1 VAL 125 24.543 6.539 -15.610 1043 HG12 VAL 125 2HG1 VAL 125 24.186 4.945 -14.965 1044 HG13 VAL 125 3HG1 VAL 125 25.349 5.985 -14.147 1045 HG21 VAL 125 3HG2 VAL 125 21.345 7.421 -14.230 1046 HG22 VAL 125 1HG2 VAL 125 21.645 5.911 -15.086 1047 HG23 VAL 125 2HG2 VAL 125 22.402 7.403 -15.635 1048 H SER 126 H SER 126 24.370 3.542 -12.369 1049 HA SER 126 HA SER 126 25.932 2.927 -10.840 1050 HB2 SER 126 2HB SER 126 26.885 5.791 -10.765 1051 HB3 SER 126 1HB SER 126 27.830 4.308 -10.781 1052 HG SER 126 HG SER 126 26.855 5.862 -12.790 1053 H ASN 127 H ASN 127 26.585 5.737 -9.136 1054 HA ASN 127 HA ASN 127 24.529 6.368 -7.586 1055 HB2 ASN 127 2HB ASN 127 25.086 4.992 -5.412 1056 HB3 ASN 127 1HB ASN 127 24.013 4.308 -6.617 1057 HD21 ASN 127 1HD2 ASN 127 27.294 4.422 -7.571 1058 HD22 ASN 127 2HD2 ASN 127 27.679 2.782 -7.303 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -0.018 -6.661 19.418 2 HA2 GLY 1 2HA GLY 1 -1.878 -5.736 21.348 3 HA3 GLY 1 1HA GLY 1 -0.222 -5.494 21.903 4 H ALA 2 H ALA 2 -1.728 -3.298 21.512 5 HA ALA 2 HA ALA 2 -1.593 -2.192 18.907 6 HB1 ALA 2 1HB ALA 2 -2.184 -1.139 21.624 7 HB2 ALA 2 2HB ALA 2 -3.023 -0.885 20.095 8 HB3 ALA 2 3HB ALA 2 -1.570 0.022 20.452 9 H MET 3 H MET 3 0.554 -2.129 21.667 10 HA MET 3 HA MET 3 2.502 -0.700 21.864 11 HB2 MET 3 2HB MET 3 3.313 -3.163 20.302 12 HB3 MET 3 1HB MET 3 4.294 -2.241 21.450 13 HG2 MET 3 2HG MET 3 1.860 -3.935 22.011 14 HG3 MET 3 1HG MET 3 3.506 -4.155 22.591 15 HE1 MET 3 3HE MET 3 0.849 -4.165 23.953 16 HE2 MET 3 1HE MET 3 0.773 -3.112 25.372 17 HE3 MET 3 2HE MET 3 2.075 -4.285 25.218 18 H GLY 4 H GLY 4 3.885 -2.097 19.069 19 HA2 GLY 4 2HA GLY 4 4.813 0.363 18.100 20 HA3 GLY 4 1HA GLY 4 4.890 -1.172 17.243 21 H SER 5 H SER 5 2.015 -1.564 17.262 22 HA SER 5 HA SER 5 0.280 -1.195 15.774 23 HB2 SER 5 2HB SER 5 0.958 1.733 15.840 24 HB3 SER 5 1HB SER 5 -0.609 0.953 15.721 25 HG SER 5 HG SER 5 0.612 0.157 18.008 26 H GLY 6 H GLY 6 3.022 -1.632 14.860 27 HA2 GLY 6 2HA GLY 6 3.877 0.024 12.852 28 HA3 GLY 6 1HA GLY 6 4.195 -1.704 12.873 29 H ASP 7 H ASP 7 1.706 -2.788 12.503 30 HA ASP 7 HA ASP 7 1.287 -2.574 9.720 31 HB2 ASP 7 2HB ASP 7 -0.887 -3.679 10.199 32 HB3 ASP 7 1HB ASP 7 0.472 -4.553 10.896 33 H THR 8 H THR 8 -0.418 -1.249 12.455 34 HA THR 8 HA THR 8 -2.411 0.156 11.047 35 HB THR 8 HB THR 8 -1.249 0.882 13.729 36 HG1 THR 8 1HG THR 8 -2.266 -1.481 12.975 37 HG21 THR 8 3HG2 THR 8 -3.934 1.156 13.927 38 HG22 THR 8 1HG2 THR 8 -3.705 1.528 12.221 39 HG23 THR 8 2HG2 THR 8 -2.859 2.463 13.461 40 H GLN 9 H GLN 9 0.669 1.241 12.459 41 HA GLN 9 HA GLN 9 0.504 3.935 11.639 42 HB2 GLN 9 2HB GLN 9 2.713 2.106 12.519 43 HB3 GLN 9 1HB GLN 9 3.118 3.643 11.793 44 HG2 GLN 9 2HG GLN 9 1.042 3.608 13.948 45 HG3 GLN 9 1HG GLN 9 2.721 3.457 14.415 46 HE21 GLN 9 1HE2 GLN 9 0.486 5.582 12.635 47 HE22 GLN 9 2HE2 GLN 9 1.402 6.998 12.822 48 H LEU 10 H LEU 10 2.166 1.133 10.200 49 HA LEU 10 HA LEU 10 3.072 2.558 7.931 50 HB2 LEU 10 2HB LEU 10 2.682 -0.363 8.542 51 HB3 LEU 10 1HB LEU 10 3.102 0.156 6.927 52 HG LEU 10 HG LEU 10 5.042 -0.440 8.551 53 HD11 LEU 10 1HD1 LEU 10 6.160 1.894 7.657 54 HD12 LEU 10 2HD1 LEU 10 4.777 1.713 6.575 55 HD13 LEU 10 3HD1 LEU 10 5.965 0.430 6.697 56 HD21 LEU 10 3HD2 LEU 10 4.528 2.428 9.464 57 HD22 LEU 10 1HD2 LEU 10 5.831 1.367 9.963 58 HD23 LEU 10 2HD2 LEU 10 4.193 1.008 10.461 59 H PHE 11 H PHE 11 0.159 0.640 8.541 60 HA PHE 11 HA PHE 11 -0.886 0.799 5.941 61 HB2 PHE 11 2HB PHE 11 -1.939 -0.725 7.393 62 HB3 PHE 11 1HB PHE 11 -2.208 0.503 8.626 63 HD1 PHE 11 1HD PHE 11 -3.225 -0.504 5.144 64 HD2 PHE 11 2HD PHE 11 -4.093 1.932 8.596 65 HE1 PHE 11 1HE PHE 11 -5.351 0.143 4.155 66 HE2 PHE 11 2HE PHE 11 -6.256 2.578 7.580 67 HZ PHE 11 HZ PHE 11 -6.895 1.707 5.386 68 H ASN 12 H ASN 12 -1.569 2.881 8.766 69 HA ASN 12 HA ASN 12 -3.316 4.576 7.350 70 HB2 ASN 12 2HB ASN 12 -1.584 5.393 9.695 71 HB3 ASN 12 1HB ASN 12 -2.932 6.231 9.051 72 HD21 ASN 12 1HD2 ASN 12 -2.277 4.102 11.479 73 HD22 ASN 12 2HD2 ASN 12 -3.831 3.451 11.695 74 H ARG 13 H ARG 13 0.137 4.752 8.042 75 HA ARG 13 HA ARG 13 0.580 7.264 6.880 76 HB2 ARG 13 2HB ARG 13 2.367 4.872 7.346 77 HB3 ARG 13 1HB ARG 13 2.948 6.440 6.784 78 HG2 ARG 13 2HG ARG 13 2.108 7.558 8.758 79 HG3 ARG 13 1HG ARG 13 1.349 6.098 9.362 80 HD2 ARG 13 2HD ARG 13 3.515 5.003 9.478 81 HD3 ARG 13 1HD ARG 13 4.349 6.467 8.948 82 HE ARG 13 HE ARG 13 3.330 5.816 11.557 83 HH11 ARG 13 1HH2 ARG 13 4.058 8.438 9.378 84 HH12 ARG 13 2HH2 ARG 13 4.266 9.604 10.595 85 HH21 ARG 13 1HH1 ARG 13 3.634 7.339 13.229 86 HH22 ARG 13 2HH1 ARG 13 4.040 8.964 12.845 87 H ALA 14 H ALA 14 0.881 3.949 5.637 88 HA ALA 14 HA ALA 14 1.620 4.697 2.992 89 HB1 ALA 14 1HB ALA 14 1.926 2.391 3.872 90 HB2 ALA 14 2HB ALA 14 1.019 2.418 2.357 91 HB3 ALA 14 3HB ALA 14 0.173 2.207 3.888 92 H VAL 15 H VAL 15 -1.555 3.731 4.366 93 HA VAL 15 HA VAL 15 -2.935 4.096 2.003 94 HB VAL 15 HB VAL 15 -3.615 2.971 4.300 95 HG11 VAL 15 1HG1 VAL 15 -5.095 4.205 5.658 96 HG12 VAL 15 2HG1 VAL 15 -5.172 5.551 4.527 97 HG13 VAL 15 3HG1 VAL 15 -3.699 5.253 5.448 98 HG21 VAL 15 3HG2 VAL 15 -6.122 3.664 3.440 99 HG22 VAL 15 1HG2 VAL 15 -5.134 2.395 2.744 100 HG23 VAL 15 2HG2 VAL 15 -5.175 4.002 2.000 101 H SER 16 H SER 16 -2.272 6.375 4.677 102 HA SER 16 HA SER 16 -3.976 8.402 3.783 103 HB2 SER 16 2HB SER 16 -1.473 8.498 5.472 104 HB3 SER 16 1HB SER 16 -2.536 9.847 5.302 105 HG SER 16 HG SER 16 -2.916 7.359 6.473 106 H MET 17 H MET 17 -0.559 7.714 3.106 107 HA MET 17 HA MET 17 -0.203 10.047 1.554 108 HB2 MET 17 2HB MET 17 1.310 7.423 1.472 109 HB3 MET 17 1HB MET 17 1.806 8.906 0.651 110 HG2 MET 17 2HG MET 17 1.658 10.048 2.974 111 HG3 MET 17 1HG MET 17 1.493 8.501 3.631 112 HE1 MET 17 3HE MET 17 4.705 6.558 3.154 113 HE2 MET 17 1HE MET 17 3.051 6.408 2.520 114 HE3 MET 17 2HE MET 17 3.328 6.837 4.203 115 H VAL 18 H VAL 18 -1.191 6.746 0.677 116 HA VAL 18 HA VAL 18 -1.319 7.399 -2.110 117 HB VAL 18 HB VAL 18 -2.483 5.262 -2.409 118 HG11 VAL 18 1HG1 VAL 18 -0.057 5.147 -0.585 119 HG12 VAL 18 2HG1 VAL 18 -0.009 5.310 -2.345 120 HG13 VAL 18 3HG1 VAL 18 -0.620 3.831 -1.608 121 HG21 VAL 18 3HG2 VAL 18 -3.778 5.167 -0.324 122 HG22 VAL 18 1HG2 VAL 18 -2.276 5.190 0.582 123 HG23 VAL 18 2HG2 VAL 18 -2.698 3.772 -0.369 124 H GLU 19 H GLU 19 -3.805 7.210 0.448 125 HA GLU 19 HA GLU 19 -6.024 7.596 -1.248 126 HB2 GLU 19 2HB GLU 19 -5.634 8.518 1.630 127 HB3 GLU 19 1HB GLU 19 -7.149 8.534 0.709 128 HG2 GLU 19 2HG GLU 19 -7.146 6.114 0.554 129 HG3 GLU 19 1HG GLU 19 -5.599 6.012 1.350 130 H LYS 20 H LYS 20 -3.749 9.785 0.278 131 HA LYS 20 HA LYS 20 -5.278 12.096 -0.604 132 HB2 LYS 20 2HB LYS 20 -2.806 12.001 1.113 133 HB3 LYS 20 1HB LYS 20 -3.908 13.370 0.936 134 HG2 LYS 20 2HG LYS 20 -4.674 10.647 2.068 135 HG3 LYS 20 1HG LYS 20 -4.361 12.076 3.028 136 HD2 LYS 20 2HD LYS 20 -6.453 12.870 2.687 137 HD3 LYS 20 1HD LYS 20 -6.327 12.688 0.956 138 HE2 LYS 20 2HE LYS 20 -8.146 11.237 1.817 139 HE3 LYS 20 1HE LYS 20 -6.840 10.340 1.108 140 HZ1 LYS 20 3HZ LYS 20 -7.589 10.543 3.921 141 HZ2 LYS 20 1HZ LYS 20 -5.961 10.282 3.621 142 HZ3 LYS 20 2HZ LYS 20 -7.136 9.172 3.096 143 H ASN 21 H ASN 21 -2.756 10.313 -1.932 144 HA ASN 21 HA ASN 21 -1.269 12.499 -3.097 145 HB2 ASN 21 2HB ASN 21 -0.344 10.128 -2.894 146 HB3 ASN 21 1HB ASN 21 -1.478 9.688 -4.162 147 HD21 ASN 21 1HD2 ASN 21 1.705 10.626 -3.772 148 HD22 ASN 21 2HD2 ASN 21 1.940 11.271 -5.321 149 H LYS 22 H LYS 22 -1.898 13.780 -4.666 150 HA LYS 22 HA LYS 22 -4.422 13.785 -5.772 151 HB2 LYS 22 2HB LYS 22 -3.644 15.470 -7.300 152 HB3 LYS 22 1HB LYS 22 -2.904 15.762 -5.737 153 HG2 LYS 22 2HG LYS 22 -1.540 14.337 -8.072 154 HG3 LYS 22 1HG LYS 22 -1.282 15.998 -7.641 155 HD2 LYS 22 2HD LYS 22 -0.626 15.164 -5.292 156 HD3 LYS 22 1HD LYS 22 -0.511 13.568 -5.994 157 HE2 LYS 22 2HE LYS 22 1.106 16.019 -6.667 158 HE3 LYS 22 1HE LYS 22 1.633 14.437 -6.081 159 HZ1 LYS 22 3HZ LYS 22 0.258 14.061 -8.588 160 HZ2 LYS 22 1HZ LYS 22 1.876 13.794 -8.220 161 HZ3 LYS 22 2HZ LYS 22 1.365 15.293 -8.732 162 H ASP 23 H ASP 23 -1.435 12.474 -7.055 163 HA ASP 23 HA ASP 23 -2.356 11.798 -9.639 164 HB2 ASP 23 2HB ASP 23 -0.216 10.681 -7.861 165 HB3 ASP 23 1HB ASP 23 -0.465 10.115 -9.486 166 H ILE 24 H ILE 24 -2.020 9.943 -6.653 167 HA ILE 24 HA ILE 24 -3.293 7.637 -7.684 168 HB ILE 24 HB ILE 24 -2.780 8.466 -4.805 169 HG12 ILE 24 2HG1 ILE 24 -1.504 6.327 -6.536 170 HG13 ILE 24 1HG1 ILE 24 -0.833 7.947 -6.380 171 HG21 ILE 24 1HG2 ILE 24 -4.020 6.005 -6.028 172 HG22 ILE 24 2HG2 ILE 24 -4.572 6.974 -4.653 173 HG23 ILE 24 3HG2 ILE 24 -3.168 5.936 -4.480 174 HD11 ILE 24 3HD1 ILE 24 -0.389 7.659 -4.060 175 HD12 ILE 24 1HD1 ILE 24 0.102 6.136 -4.806 176 HD13 ILE 24 2HD1 ILE 24 -1.441 6.243 -3.980 177 H ARG 25 H ARG 25 -4.414 10.412 -5.821 178 HA ARG 25 HA ARG 25 -7.063 9.618 -5.395 179 HB2 ARG 25 2HB ARG 25 -5.769 12.247 -5.910 180 HB3 ARG 25 1HB ARG 25 -7.497 12.186 -5.726 181 HG2 ARG 25 2HG ARG 25 -7.176 11.082 -3.476 182 HG3 ARG 25 1HG ARG 25 -5.449 11.182 -3.686 183 HD2 ARG 25 2HD ARG 25 -6.322 13.032 -2.319 184 HD3 ARG 25 1HD ARG 25 -5.526 13.640 -3.763 185 HE ARG 25 HE ARG 25 -8.296 13.276 -4.286 186 HH11 ARG 25 1HH2 ARG 25 -6.144 15.273 -2.427 187 HH12 ARG 25 2HH2 ARG 25 -7.145 16.660 -2.495 188 HH21 ARG 25 1HH1 ARG 25 -9.618 15.101 -4.404 189 HH22 ARG 25 2HH1 ARG 25 -9.171 16.554 -3.645 190 H SER 26 H SER 26 -5.568 11.181 -8.172 191 HA SER 26 HA SER 26 -7.895 11.348 -9.731 192 HB2 SER 26 2HB SER 26 -5.035 11.044 -10.550 193 HB3 SER 26 1HB SER 26 -6.338 11.623 -11.608 194 HG SER 26 HG SER 26 -5.112 12.777 -9.312 195 H LEU 27 H LEU 27 -5.420 8.851 -9.346 196 HA LEU 27 HA LEU 27 -6.427 6.975 -11.238 197 HB2 LEU 27 2HB LEU 27 -4.822 6.534 -8.695 198 HB3 LEU 27 1HB LEU 27 -5.180 5.298 -9.880 199 HG LEU 27 HG LEU 27 -3.719 7.866 -10.540 200 HD11 LEU 27 1HD1 LEU 27 -2.254 5.297 -10.614 201 HD12 LEU 27 2HD1 LEU 27 -2.676 5.870 -9.003 202 HD13 LEU 27 3HD1 LEU 27 -1.727 6.893 -10.088 203 HD21 LEU 27 3HD2 LEU 27 -4.880 5.743 -12.139 204 HD22 LEU 27 1HD2 LEU 27 -3.142 5.754 -12.368 205 HD23 LEU 27 2HD2 LEU 27 -4.096 7.201 -12.701 206 H LEU 28 H LEU 28 -7.050 7.609 -7.838 207 HA LEU 28 HA LEU 28 -8.934 5.419 -7.561 208 HB2 LEU 28 2HB LEU 28 -8.339 7.763 -5.720 209 HB3 LEU 28 1HB LEU 28 -9.359 6.410 -5.294 210 HG LEU 28 HG LEU 28 -6.423 6.217 -6.026 211 HD11 LEU 28 1HD1 LEU 28 -7.842 6.236 -3.343 212 HD12 LEU 28 2HD1 LEU 28 -6.588 7.332 -3.901 213 HD13 LEU 28 3HD1 LEU 28 -6.203 5.652 -3.576 214 HD21 LEU 28 3HD2 LEU 28 -6.591 3.913 -5.245 215 HD22 LEU 28 1HD2 LEU 28 -7.814 4.141 -6.488 216 HD23 LEU 28 2HD2 LEU 28 -8.258 4.134 -4.771 217 H GLN 29 H GLN 29 -9.112 8.192 -9.243 218 HA GLN 29 HA GLN 29 -10.811 9.579 -9.950 219 HB2 GLN 29 2HB GLN 29 -12.459 7.182 -9.099 220 HB3 GLN 29 1HB GLN 29 -13.060 8.521 -10.090 221 HG2 GLN 29 2HG GLN 29 -10.693 6.778 -10.849 222 HG3 GLN 29 1HG GLN 29 -12.332 6.476 -11.413 223 HE21 GLN 29 1HE2 GLN 29 -9.469 8.155 -12.160 224 HE22 GLN 29 2HE2 GLN 29 -10.114 9.232 -13.292 225 H CYS 30 H CYS 30 -9.810 9.915 -7.412 226 HA CYS 30 HA CYS 30 -11.593 9.851 -5.334 227 HB2 CYS 30 2HB CYS 30 -8.966 10.957 -5.793 228 HB3 CYS 30 1HB CYS 30 -9.883 11.926 -4.644 229 HG CYS 30 HG CYS 30 -9.721 10.088 -3.000 230 H ASP 31 H ASP 31 -13.461 10.606 -6.603 231 HA ASP 31 HA ASP 31 -13.896 13.410 -7.041 232 HB2 ASP 31 2HB ASP 31 -15.740 11.047 -6.782 233 HB3 ASP 31 1HB ASP 31 -16.386 12.650 -6.916 234 H ASP 32 H ASP 32 -15.986 14.206 -5.898 235 HA ASP 32 HA ASP 32 -16.830 13.550 -3.432 236 HB2 ASP 32 2HB ASP 32 -14.349 15.256 -3.162 237 HB3 ASP 32 1HB ASP 32 -15.733 15.558 -2.120 238 H GLY 33 H GLY 33 -18.646 14.642 -3.159 239 HA2 GLY 33 2HA GLY 33 -20.202 16.359 -3.245 240 HA3 GLY 33 1HA GLY 33 -18.901 17.443 -3.702 241 H ILE 34 H ILE 34 -18.056 15.940 -6.033 242 HA ILE 34 HA ILE 34 -19.701 17.162 -7.939 243 HB ILE 34 HB ILE 34 -17.340 16.549 -8.358 244 HG12 ILE 34 2HG1 ILE 34 -17.636 15.719 -10.671 245 HG13 ILE 34 1HG1 ILE 34 -19.323 15.318 -10.311 246 HG21 ILE 34 1HG2 ILE 34 -18.033 13.735 -9.001 247 HG22 ILE 34 2HG2 ILE 34 -17.809 14.145 -7.294 248 HG23 ILE 34 3HG2 ILE 34 -16.529 14.453 -8.454 249 HD11 ILE 34 3HD1 ILE 34 -18.535 17.654 -11.397 250 HD12 ILE 34 1HD1 ILE 34 -18.445 18.101 -9.692 251 HD13 ILE 34 2HD1 ILE 34 -19.965 17.501 -10.382 252 H THR 35 H THR 35 -19.640 13.852 -6.786 253 HA THR 35 HA THR 35 -22.407 13.563 -7.672 254 HB THR 35 HB THR 35 -21.271 12.233 -9.315 255 HG1 THR 35 1HG THR 35 -22.770 11.089 -7.455 256 HG21 THR 35 3HG2 THR 35 -19.415 11.551 -7.064 257 HG22 THR 35 1HG2 THR 35 -19.076 11.943 -8.742 258 HG23 THR 35 2HG2 THR 35 -19.650 10.345 -8.316 259 H GLY 36 H GLY 36 -21.583 14.546 -5.317 260 HA2 GLY 36 2HA GLY 36 -22.011 14.247 -3.062 261 HA3 GLY 36 1HA GLY 36 -22.367 12.537 -3.370 262 H LYS 37 H LYS 37 -20.904 12.312 -1.432 263 HA LYS 37 HA LYS 37 -18.086 12.228 -2.335 264 HB2 LYS 37 2HB LYS 37 -19.262 12.507 0.424 265 HB3 LYS 37 1HB LYS 37 -17.567 12.182 0.109 266 HG2 LYS 37 2HG LYS 37 -17.431 14.495 0.176 267 HG3 LYS 37 1HG LYS 37 -17.766 14.301 -1.515 268 HD2 LYS 37 2HD LYS 37 -19.277 15.986 -0.743 269 HD3 LYS 37 1HD LYS 37 -20.252 14.555 -0.990 270 HE2 LYS 37 2HE LYS 37 -20.941 15.345 1.090 271 HE3 LYS 37 1HE LYS 37 -19.874 14.035 1.518 272 HZ1 LYS 37 3HZ LYS 37 -19.079 15.714 2.861 273 HZ2 LYS 37 1HZ LYS 37 -19.401 16.939 1.750 274 HZ3 LYS 37 2HZ LYS 37 -18.076 15.910 1.528 275 H GLU 38 H GLU 38 -17.473 10.236 -2.812 276 HA GLU 38 HA GLU 38 -18.905 7.904 -1.865 277 HB2 GLU 38 2HB GLU 38 -16.336 8.084 -3.482 278 HB3 GLU 38 1HB GLU 38 -17.243 6.620 -3.135 279 HG2 GLU 38 2HG GLU 38 -18.079 7.152 -5.225 280 HG3 GLU 38 1HG GLU 38 -19.245 7.957 -4.193 281 H ARG 39 H ARG 39 -17.737 6.100 -0.841 282 HA ARG 39 HA ARG 39 -16.027 7.125 1.329 283 HB2 ARG 39 2HB ARG 39 -17.236 4.370 1.101 284 HB3 ARG 39 1HB ARG 39 -16.646 5.175 2.552 285 HG2 ARG 39 2HG ARG 39 -19.065 6.051 0.924 286 HG3 ARG 39 1HG ARG 39 -19.146 5.177 2.431 287 HD2 ARG 39 2HD ARG 39 -17.781 7.883 2.173 288 HD3 ARG 39 1HD ARG 39 -19.462 7.656 2.613 289 HE ARG 39 HE ARG 39 -17.715 6.095 4.270 290 HH11 ARG 39 1HH2 ARG 39 -19.003 9.275 3.685 291 HH12 ARG 39 2HH2 ARG 39 -18.867 9.806 5.298 292 HH21 ARG 39 1HH1 ARG 39 -17.489 6.793 6.443 293 HH22 ARG 39 2HH1 ARG 39 -17.977 8.366 6.905 294 H LEU 40 H LEU 40 -13.919 6.566 1.492 295 HA LEU 40 HA LEU 40 -12.836 4.710 -0.508 296 HB2 LEU 40 2HB LEU 40 -11.401 6.641 1.347 297 HB3 LEU 40 1HB LEU 40 -10.630 5.561 0.207 298 HG LEU 40 HG LEU 40 -12.204 6.700 -1.573 299 HD11 LEU 40 1HD1 LEU 40 -12.427 8.435 0.830 300 HD12 LEU 40 2HD1 LEU 40 -13.554 8.247 -0.516 301 HD13 LEU 40 3HD1 LEU 40 -12.121 9.265 -0.684 302 HD21 LEU 40 3HD2 LEU 40 -9.783 6.871 -1.681 303 HD22 LEU 40 1HD2 LEU 40 -9.758 8.013 -0.340 304 HD23 LEU 40 2HD2 LEU 40 -10.445 8.490 -1.887 305 H LYS 41 H LYS 41 -12.087 2.753 0.149 306 HA LYS 41 HA LYS 41 -11.828 2.292 3.064 307 HB2 LYS 41 2HB LYS 41 -13.020 0.330 1.113 308 HB3 LYS 41 1HB LYS 41 -12.662 0.097 2.833 309 HG2 LYS 41 2HG LYS 41 -14.189 2.077 3.298 310 HG3 LYS 41 1HG LYS 41 -14.730 1.939 1.631 311 HD2 LYS 41 2HD LYS 41 -15.308 0.169 3.943 312 HD3 LYS 41 1HD LYS 41 -16.262 0.549 2.512 313 HE2 LYS 41 2HE LYS 41 -15.046 -1.052 1.150 314 HE3 LYS 41 1HE LYS 41 -13.839 -1.305 2.405 315 HZ1 LYS 41 3HZ LYS 41 -16.652 -1.842 3.079 316 HZ2 LYS 41 1HZ LYS 41 -15.234 -2.595 3.618 317 HZ3 LYS 41 2HZ LYS 41 -15.846 -2.925 2.078 318 H ALA 42 H ALA 42 -10.470 0.583 3.661 319 HA ALA 42 HA ALA 42 -8.668 -0.461 1.595 320 HB1 ALA 42 1HB ALA 42 -6.773 0.345 2.511 321 HB2 ALA 42 2HB ALA 42 -7.461 0.245 4.146 322 HB3 ALA 42 3HB ALA 42 -7.864 1.616 3.110 323 H TYR 43 H TYR 43 -8.127 -2.543 1.926 324 HA TYR 43 HA TYR 43 -8.271 -3.723 4.525 325 HB2 TYR 43 2HB TYR 43 -9.900 -5.517 3.786 326 HB3 TYR 43 1HB TYR 43 -10.605 -3.945 4.137 327 HD1 TYR 43 1HD TYR 43 -9.360 -6.111 1.338 328 HD2 TYR 43 2HD TYR 43 -11.785 -2.745 2.482 329 HE1 TYR 43 1HE TYR 43 -10.282 -6.044 -0.896 330 HE2 TYR 43 2HE TYR 43 -12.720 -2.658 0.211 331 HH TYR 43 HH TYR 43 -12.846 -3.664 -1.790 332 H GLY 44 H GLY 44 -7.908 -6.184 4.330 333 HA2 GLY 44 2HA GLY 44 -5.412 -6.522 3.167 334 HA3 GLY 44 1HA GLY 44 -6.486 -7.791 3.771 335 H GLU 45 H GLU 45 -4.759 -7.525 1.418 336 HA GLU 45 HA GLU 45 -5.505 -7.366 -1.034 337 HB2 GLU 45 2HB GLU 45 -4.567 -9.768 0.368 338 HB3 GLU 45 1HB GLU 45 -4.477 -9.707 -1.407 339 HG2 GLU 45 2HG GLU 45 -3.167 -7.728 0.552 340 HG3 GLU 45 1HG GLU 45 -2.305 -8.938 -0.369 341 H LEU 46 H LEU 46 -7.377 -7.451 -1.979 342 HA LEU 46 HA LEU 46 -9.661 -8.790 -1.124 343 HB2 LEU 46 2HB LEU 46 -9.670 -6.848 -2.631 344 HB3 LEU 46 1HB LEU 46 -8.978 -7.832 -3.903 345 HG LEU 46 HG LEU 46 -11.511 -8.835 -2.628 346 HD11 LEU 46 1HD1 LEU 46 -12.844 -7.445 -4.205 347 HD12 LEU 46 2HD1 LEU 46 -11.392 -6.524 -4.570 348 HD13 LEU 46 3HD1 LEU 46 -12.065 -6.502 -2.938 349 HD21 LEU 46 3HD2 LEU 46 -11.761 -9.059 -5.340 350 HD22 LEU 46 1HD2 LEU 46 -11.009 -10.278 -4.330 351 HD23 LEU 46 2HD2 LEU 46 -10.008 -9.120 -5.199 352 H ILE 47 H ILE 47 -7.333 -9.729 -3.620 353 HA ILE 47 HA ILE 47 -8.690 -11.820 -4.747 354 HB ILE 47 HB ILE 47 -6.516 -12.712 -5.407 355 HG12 ILE 47 2HG1 ILE 47 -5.370 -10.671 -3.447 356 HG13 ILE 47 1HG1 ILE 47 -5.371 -12.416 -3.168 357 HG21 ILE 47 1HG2 ILE 47 -6.346 -10.959 -6.839 358 HG22 ILE 47 2HG2 ILE 47 -5.817 -9.880 -5.542 359 HG23 ILE 47 3HG2 ILE 47 -7.535 -10.124 -5.834 360 HD11 ILE 47 3HD1 ILE 47 -3.494 -10.855 -4.644 361 HD12 ILE 47 1HD1 ILE 47 -4.290 -11.948 -5.767 362 HD13 ILE 47 2HD1 ILE 47 -3.467 -12.597 -4.355 363 H THR 48 H THR 48 -7.127 -11.791 -1.653 364 HA THR 48 HA THR 48 -8.046 -14.579 -1.178 365 HB THR 48 HB THR 48 -6.076 -13.237 0.611 366 HG1 THR 48 1HG THR 48 -5.307 -14.560 -1.778 367 HG21 THR 48 3HG2 THR 48 -5.278 -15.820 0.148 368 HG22 THR 48 1HG2 THR 48 -7.023 -15.960 0.017 369 HG23 THR 48 2HG2 THR 48 -6.287 -15.312 1.484 370 H ASN 49 H ASN 49 -7.353 -11.543 0.472 371 HA ASN 49 HA ASN 49 -9.102 -12.079 2.656 372 HB2 ASN 49 2HB ASN 49 -7.111 -11.061 3.013 373 HB3 ASN 49 1HB ASN 49 -7.418 -9.642 1.961 374 HD21 ASN 49 1HD2 ASN 49 -9.343 -8.269 2.865 375 HD22 ASN 49 2HD2 ASN 49 -9.582 -8.234 4.541 376 H ASP 50 H ASP 50 -10.095 -11.651 -0.251 377 HA ASP 50 HA ASP 50 -11.863 -9.568 -0.489 378 HB2 ASP 50 2HB ASP 50 -11.783 -11.374 -2.197 379 HB3 ASP 50 1HB ASP 50 -12.386 -12.512 -1.002 380 H LYS 51 H LYS 51 -12.087 -12.548 1.365 381 HA LYS 51 HA LYS 51 -14.706 -11.994 2.390 382 HB2 LYS 51 2HB LYS 51 -12.783 -14.155 3.299 383 HB3 LYS 51 1HB LYS 51 -14.524 -14.086 3.545 384 HG2 LYS 51 2HG LYS 51 -13.138 -14.320 0.843 385 HG3 LYS 51 1HG LYS 51 -14.072 -15.562 1.685 386 HD2 LYS 51 2HD LYS 51 -16.079 -14.194 1.538 387 HD3 LYS 51 1HD LYS 51 -15.185 -12.914 0.721 388 HE2 LYS 51 2HE LYS 51 -14.528 -14.885 -0.940 389 HE3 LYS 51 1HE LYS 51 -16.014 -15.601 -0.313 390 HZ1 LYS 51 3HZ LYS 51 -15.695 -12.913 -1.492 391 HZ2 LYS 51 1HZ LYS 51 -17.169 -13.476 -0.923 392 HZ3 LYS 51 2HZ LYS 51 -16.442 -14.185 -2.286 393 H TRP 52 H TRP 52 -12.315 -13.117 4.698 394 HA TRP 52 HA TRP 52 -12.847 -10.640 6.171 395 HB2 TRP 52 2HB TRP 52 -13.617 -13.109 7.014 396 HB3 TRP 52 1HB TRP 52 -12.099 -12.931 7.885 397 HD1 TRP 52 HD TRP 52 -12.241 -9.740 8.273 398 HE1 TRP 52 1HE TRP 52 -13.890 -8.781 9.969 399 HE3 TRP 52 3HE TRP 52 -15.502 -13.666 8.646 400 HZ2 TRP 52 2HZ TRP 52 -16.279 -9.561 11.329 401 HZ3 TRP 52 3HZ TRP 52 -17.471 -13.519 10.172 402 HH2 TRP 52 HH TRP 52 -17.858 -11.472 11.506 403 H THR 53 H THR 53 -10.484 -13.101 7.131 404 HA THR 53 HA THR 53 -8.367 -11.033 6.988 405 HB THR 53 HB THR 53 -7.313 -12.535 8.797 406 HG1 THR 53 1HG THR 53 -8.671 -13.872 9.822 407 HG21 THR 53 3HG2 THR 53 -9.829 -10.900 9.203 408 HG22 THR 53 1HG2 THR 53 -8.152 -10.451 9.512 409 HG23 THR 53 2HG2 THR 53 -8.948 -11.613 10.554 410 H ARG 54 H ARG 54 -9.462 -13.364 5.274 411 HA ARG 54 HA ARG 54 -8.408 -15.514 4.860 412 HB2 ARG 54 2HB ARG 54 -9.367 -13.867 3.032 413 HB3 ARG 54 1HB ARG 54 -7.732 -14.077 2.380 414 HG2 ARG 54 2HG ARG 54 -8.687 -15.920 1.438 415 HG3 ARG 54 1HG ARG 54 -8.395 -16.668 2.996 416 HD2 ARG 54 2HD ARG 54 -10.951 -15.147 2.372 417 HD3 ARG 54 1HD ARG 54 -10.713 -16.869 2.061 418 HE ARG 54 HE ARG 54 -10.068 -16.284 4.791 419 HH11 ARG 54 1HH2 ARG 54 -12.766 -16.598 2.597 420 HH12 ARG 54 2HH2 ARG 54 -13.880 -16.996 3.840 421 HH21 ARG 54 1HH1 ARG 54 -11.551 -16.812 6.416 422 HH22 ARG 54 2HH1 ARG 54 -13.185 -17.125 6.023 423 H ASN 55 H ASN 55 -6.134 -13.639 2.930 424 HA ASN 55 HA ASN 55 -4.048 -15.437 3.895 425 HB2 ASN 55 2HB ASN 55 -4.033 -15.049 1.509 426 HB3 ASN 55 1HB ASN 55 -3.997 -13.303 1.725 427 HD21 ASN 55 1HD2 ASN 55 -2.086 -16.241 2.567 428 HD22 ASN 55 2HD2 ASN 55 -0.588 -15.473 2.423 429 H ARG 56 H ARG 56 -3.235 -12.185 3.033 430 HA ARG 56 HA ARG 56 -2.439 -11.710 5.808 431 HB2 ARG 56 2HB ARG 56 -0.418 -11.625 4.934 432 HB3 ARG 56 1HB ARG 56 -0.910 -11.334 3.286 433 HG2 ARG 56 2HG ARG 56 -1.291 -9.081 5.270 434 HG3 ARG 56 1HG ARG 56 0.349 -9.519 4.887 435 HD2 ARG 56 2HD ARG 56 -1.715 -8.334 3.041 436 HD3 ARG 56 1HD ARG 56 -0.054 -7.925 3.292 437 HE ARG 56 HE ARG 56 0.626 -9.634 1.825 438 HH11 ARG 56 1HH2 ARG 56 -2.799 -9.743 2.445 439 HH12 ARG 56 2HH2 ARG 56 -3.127 -10.716 1.036 440 HH21 ARG 56 1HH1 ARG 56 0.165 -10.913 0.027 441 HH22 ARG 56 2HH1 ARG 56 -1.432 -11.392 -0.356 442 HA PRO 57 HA PRO 57 -5.548 -8.478 5.281 443 HB2 PRO 57 2HB PRO 57 -5.429 -8.187 8.157 444 HB3 PRO 57 1HB PRO 57 -6.735 -8.850 7.178 445 HG2 PRO 57 2HG PRO 57 -4.625 -10.264 8.639 446 HG3 PRO 57 1HG PRO 57 -6.200 -10.862 8.084 447 HD2 PRO 57 2HD PRO 57 -3.920 -11.691 6.987 448 HD3 PRO 57 1HD PRO 57 -5.346 -11.494 5.974 449 H ILE 58 H ILE 58 -5.480 -6.124 6.489 450 HA ILE 58 HA ILE 58 -3.108 -4.932 5.650 451 HB ILE 58 HB ILE 58 -5.143 -3.917 7.666 452 HG12 ILE 58 2HG1 ILE 58 -4.728 -3.141 4.778 453 HG13 ILE 58 1HG1 ILE 58 -5.863 -4.411 5.214 454 HG21 ILE 58 1HG2 ILE 58 -2.851 -2.785 7.794 455 HG22 ILE 58 2HG2 ILE 58 -4.208 -1.757 7.393 456 HG23 ILE 58 3HG2 ILE 58 -3.122 -2.306 6.119 457 HD11 ILE 58 3HD1 ILE 58 -6.785 -2.045 4.956 458 HD12 ILE 58 1HD1 ILE 58 -5.953 -1.661 6.459 459 HD13 ILE 58 2HD1 ILE 58 -7.224 -2.891 6.448 460 H VAL 59 H VAL 59 -1.429 -6.178 6.451 461 HA VAL 59 HA VAL 59 -0.507 -5.342 9.094 462 HB VAL 59 HB VAL 59 0.365 -7.625 9.543 463 HG11 VAL 59 1HG1 VAL 59 -1.731 -8.636 10.180 464 HG12 VAL 59 2HG1 VAL 59 -2.612 -7.667 9.013 465 HG13 VAL 59 3HG1 VAL 59 -1.882 -6.895 10.421 466 HG21 VAL 59 3HG2 VAL 59 -0.082 -8.093 6.822 467 HG22 VAL 59 1HG2 VAL 59 -1.422 -8.937 7.586 468 HG23 VAL 59 2HG2 VAL 59 0.222 -9.337 8.031 469 H SER 60 H SER 60 1.870 -5.573 9.264 470 HA SER 60 HA SER 60 3.130 -5.657 6.612 471 HB2 SER 60 2HB SER 60 4.903 -4.243 7.454 472 HB3 SER 60 1HB SER 60 3.363 -3.413 7.641 473 HG SER 60 HG SER 60 4.212 -5.043 9.749 474 H THR 61 H THR 61 4.226 -7.518 6.346 475 HA THR 61 HA THR 61 4.612 -9.279 8.525 476 HB THR 61 HB THR 61 5.683 -10.762 6.945 477 HG1 THR 61 1HG THR 61 6.878 -8.723 6.130 478 HG21 THR 61 3HG2 THR 61 4.008 -10.922 5.304 479 HG22 THR 61 1HG2 THR 61 3.788 -9.181 5.212 480 HG23 THR 61 2HG2 THR 61 3.191 -10.075 6.605 481 H LYS 62 H LYS 62 6.357 -9.612 9.844 482 HA LYS 62 HA LYS 62 8.527 -7.645 9.716 483 HB2 LYS 62 2HB LYS 62 7.700 -9.616 11.855 484 HB3 LYS 62 1HB LYS 62 9.065 -8.500 11.967 485 HG2 LYS 62 2HG LYS 62 6.249 -7.523 11.417 486 HG3 LYS 62 1HG LYS 62 6.833 -7.777 13.053 487 HD2 LYS 62 2HD LYS 62 8.841 -6.289 12.416 488 HD3 LYS 62 1HD LYS 62 7.911 -5.838 10.990 489 HE2 LYS 62 2HE LYS 62 7.638 -4.265 12.882 490 HE3 LYS 62 1HE LYS 62 6.103 -4.993 12.370 491 HZ1 LYS 62 3HZ LYS 62 7.759 -5.942 14.657 492 HZ2 LYS 62 1HZ LYS 62 6.205 -6.484 14.254 493 HZ3 LYS 62 2HZ LYS 62 6.457 -4.904 14.811 494 H LYS 63 H LYS 63 10.246 -8.285 8.535 495 HA LYS 63 HA LYS 63 11.325 -10.972 9.118 496 HB2 LYS 63 2HB LYS 63 11.492 -9.565 6.453 497 HB3 LYS 63 1HB LYS 63 12.275 -11.087 6.876 498 HG2 LYS 63 2HG LYS 63 9.790 -11.814 7.519 499 HG3 LYS 63 1HG LYS 63 9.350 -10.549 6.387 500 HD2 LYS 63 2HD LYS 63 11.174 -12.898 5.768 501 HD3 LYS 63 1HD LYS 63 9.501 -12.712 5.275 502 HE2 LYS 63 2HE LYS 63 9.981 -10.974 3.740 503 HE3 LYS 63 1HE LYS 63 11.503 -10.578 4.523 504 HZ1 LYS 63 3HZ LYS 63 10.958 -13.080 3.019 505 HZ2 LYS 63 1HZ LYS 63 12.425 -12.674 3.744 506 HZ3 LYS 63 2HZ LYS 63 11.853 -11.762 2.454 507 H LEU 64 H LEU 64 13.425 -10.992 9.678 508 HA LEU 64 HA LEU 64 14.930 -8.476 9.348 509 HB2 LEU 64 2HB LEU 64 14.260 -8.901 11.740 510 HB3 LEU 64 1HB LEU 64 15.161 -10.409 11.668 511 HG LEU 64 HG LEU 64 17.272 -9.186 11.269 512 HD11 LEU 64 1HD1 LEU 64 16.484 -7.295 9.945 513 HD12 LEU 64 2HD1 LEU 64 17.192 -6.685 11.440 514 HD13 LEU 64 3HD1 LEU 64 15.453 -6.776 11.284 515 HD21 LEU 64 3HD2 LEU 64 16.289 -9.446 13.637 516 HD22 LEU 64 1HD2 LEU 64 15.729 -7.785 13.440 517 HD23 LEU 64 2HD2 LEU 64 17.453 -8.137 13.424 518 H ASP 65 H ASP 65 16.344 -8.843 7.772 519 HA ASP 65 HA ASP 65 17.300 -11.533 7.301 520 HB2 ASP 65 2HB ASP 65 16.340 -9.664 5.624 521 HB3 ASP 65 1HB ASP 65 18.045 -9.302 5.483 522 H LYS 66 H LYS 66 19.551 -11.272 6.065 523 HA LYS 66 HA LYS 66 21.646 -10.978 7.906 524 HB2 LYS 66 2HB LYS 66 23.137 -10.951 5.971 525 HB3 LYS 66 1HB LYS 66 21.846 -12.128 5.729 526 HG2 LYS 66 2HG LYS 66 21.187 -9.403 4.705 527 HG3 LYS 66 1HG LYS 66 22.551 -10.165 3.922 528 HD2 LYS 66 2HD LYS 66 21.349 -11.915 3.102 529 HD3 LYS 66 1HD LYS 66 20.083 -11.829 4.321 530 HE2 LYS 66 2HE LYS 66 19.368 -9.625 3.312 531 HE3 LYS 66 1HE LYS 66 20.532 -9.909 2.001 532 HZ1 LYS 66 3HZ LYS 66 18.575 -10.769 1.158 533 HZ2 LYS 66 1HZ LYS 66 18.031 -11.309 2.664 534 HZ3 LYS 66 2HZ LYS 66 19.260 -12.153 1.836 535 H GLU 67 H GLU 67 19.786 -8.665 6.252 536 HA GLU 67 HA GLU 67 21.537 -6.498 6.085 537 HB2 GLU 67 2HB GLU 67 18.526 -6.613 6.363 538 HB3 GLU 67 1HB GLU 67 19.435 -5.138 6.046 539 HG2 GLU 67 2HG GLU 67 20.400 -6.134 4.014 540 HG3 GLU 67 1HG GLU 67 19.538 -7.620 4.329 541 H GLY 68 H GLY 68 19.513 -7.746 8.681 542 HA2 GLY 68 2HA GLY 68 19.648 -7.322 10.952 543 HA3 GLY 68 1HA GLY 68 20.976 -6.204 10.648 544 H ARG 69 H ARG 69 18.141 -5.911 8.755 545 HA ARG 69 HA ARG 69 17.110 -3.643 10.354 546 HB2 ARG 69 2HB ARG 69 17.082 -3.747 7.324 547 HB3 ARG 69 1HB ARG 69 16.732 -2.385 8.372 548 HG2 ARG 69 2HG ARG 69 19.475 -3.679 8.153 549 HG3 ARG 69 1HG ARG 69 18.966 -2.249 7.265 550 HD2 ARG 69 2HD ARG 69 18.629 -1.010 9.303 551 HD3 ARG 69 1HD ARG 69 18.960 -2.402 10.311 552 HE ARG 69 HE ARG 69 20.865 -0.815 8.747 553 HH11 ARG 69 1HH2 ARG 69 20.238 -3.533 10.859 554 HH12 ARG 69 2HH2 ARG 69 21.870 -3.757 11.302 555 HH21 ARG 69 1HH1 ARG 69 23.048 -1.113 9.350 556 HH22 ARG 69 2HH1 ARG 69 23.517 -2.350 10.435 557 H THR 70 H THR 70 15.123 -4.313 10.994 558 HA THR 70 HA THR 70 13.822 -6.547 9.923 559 HB THR 70 HB THR 70 12.621 -4.307 11.569 560 HG1 THR 70 1HG THR 70 13.091 -5.859 13.256 561 HG21 THR 70 3HG2 THR 70 10.820 -5.550 10.807 562 HG22 THR 70 1HG2 THR 70 11.172 -6.301 12.354 563 HG23 THR 70 2HG2 THR 70 11.680 -7.094 10.856 564 H HIS 71 H HIS 71 12.559 -6.809 8.200 565 HA HIS 71 HA HIS 71 11.834 -4.486 6.548 566 HB2 HIS 71 2HB HIS 71 13.001 -6.729 5.749 567 HB3 HIS 71 1HB HIS 71 11.359 -7.327 5.753 568 HD1 HIS 71 1HD HIS 71 13.730 -5.530 3.648 569 HD2 HIS 71 2HD HIS 71 9.526 -5.577 3.923 570 HE1 HIS 71 1HE HIS 71 12.806 -4.670 1.461 571 HE2 HIS 71 2HE HIS 71 10.285 -4.708 1.619 572 H HIS 72 H HIS 72 9.794 -3.848 6.296 573 HA HIS 72 HA HIS 72 7.566 -5.394 7.487 574 HB2 HIS 72 2HB HIS 72 8.010 -2.472 6.878 575 HB3 HIS 72 1HB HIS 72 6.399 -3.097 7.042 576 HD1 HIS 72 1HD HIS 72 5.490 -3.376 9.453 577 HD2 HIS 72 2HD HIS 72 9.654 -2.809 9.305 578 HE1 HIS 72 1HE HIS 72 6.233 -2.938 11.791 579 HE2 HIS 72 2HE HIS 72 8.775 -2.629 11.768 580 H TYR 73 H TYR 73 6.601 -6.591 5.838 581 HA TYR 73 HA TYR 73 6.364 -5.313 3.165 582 HB2 TYR 73 2HB TYR 73 5.889 -8.239 3.917 583 HB3 TYR 73 1HB TYR 73 5.712 -7.518 2.349 584 HD1 TYR 73 1HD TYR 73 8.251 -8.356 4.951 585 HD2 TYR 73 2HD TYR 73 7.562 -7.040 0.912 586 HE1 TYR 73 1HE TYR 73 10.635 -8.688 4.423 587 HE2 TYR 73 2HE TYR 73 9.938 -7.374 0.393 588 HH TYR 73 HH TYR 73 12.200 -7.371 2.011 589 H MET 74 H MET 74 4.444 -4.321 2.872 590 HA MET 74 HA MET 74 2.063 -5.472 4.185 591 HB2 MET 74 2HB MET 74 2.840 -3.507 5.448 592 HB3 MET 74 1HB MET 74 2.742 -2.533 3.978 593 HG2 MET 74 2HG MET 74 0.320 -2.958 3.839 594 HG3 MET 74 1HG MET 74 0.401 -4.000 5.250 595 HE1 MET 74 3HE MET 74 2.518 -0.432 5.027 596 HE2 MET 74 1HE MET 74 1.014 0.485 4.906 597 HE3 MET 74 2HE MET 74 1.389 -0.769 3.737 598 H ARG 75 H ARG 75 0.494 -5.895 2.781 599 HA ARG 75 HA ARG 75 0.219 -4.173 0.401 600 HB2 ARG 75 2HB ARG 75 -0.364 -7.130 0.323 601 HB3 ARG 75 1HB ARG 75 -0.267 -6.002 -1.012 602 HG2 ARG 75 2HG ARG 75 2.206 -5.623 -0.348 603 HG3 ARG 75 1HG ARG 75 2.030 -7.039 0.671 604 HD2 ARG 75 2HD ARG 75 2.826 -7.983 -1.274 605 HD3 ARG 75 1HD ARG 75 1.108 -8.224 -1.478 606 HE ARG 75 HE ARG 75 2.761 -6.131 -2.761 607 HH11 ARG 75 1HH2 ARG 75 -0.282 -7.902 -2.564 608 HH12 ARG 75 2HH2 ARG 75 -0.781 -7.499 -4.125 609 HH21 ARG 75 1HH1 ARG 75 2.062 -5.574 -4.910 610 HH22 ARG 75 2HH1 ARG 75 0.578 -6.163 -5.506 611 H PHE 76 H PHE 76 -1.824 -3.498 0.040 612 HA PHE 76 HA PHE 76 -3.977 -4.963 1.200 613 HB2 PHE 76 2HB PHE 76 -4.954 -3.023 2.417 614 HB3 PHE 76 1HB PHE 76 -3.477 -3.634 3.138 615 HD1 PHE 76 2HD PHE 76 -1.384 -2.336 3.026 616 HD2 PHE 76 1HD PHE 76 -5.018 -0.811 1.312 617 HE1 PHE 76 2HE PHE 76 -0.386 -0.073 2.905 618 HE2 PHE 76 1HE PHE 76 -3.988 1.470 1.211 619 HZ PHE 76 HZ PHE 76 -1.696 1.817 2.002 620 H HIS 77 H HIS 77 -6.038 -4.276 0.565 621 HA HIS 77 HA HIS 77 -5.979 -3.029 -2.083 622 HB2 HIS 77 2HB HIS 77 -7.608 -5.213 -0.860 623 HB3 HIS 77 1HB HIS 77 -8.390 -4.157 -2.024 624 HD1 HIS 77 1HD HIS 77 -4.828 -5.756 -1.994 625 HD2 HIS 77 2HD HIS 77 -8.187 -5.336 -4.496 626 HE1 HIS 77 1HE HIS 77 -4.285 -6.889 -4.149 627 HE2 HIS 77 2HE HIS 77 -6.275 -6.647 -5.687 628 H VAL 78 H VAL 78 -7.365 -1.371 -2.535 629 HA VAL 78 HA VAL 78 -8.962 -0.404 -0.267 630 HB VAL 78 HB VAL 78 -8.241 1.807 -0.496 631 HG11 VAL 78 1HG1 VAL 78 -5.885 1.725 -0.105 632 HG12 VAL 78 2HG1 VAL 78 -5.715 0.300 -1.123 633 HG13 VAL 78 3HG1 VAL 78 -6.549 0.178 0.434 634 HG21 VAL 78 3HG2 VAL 78 -8.160 2.489 -2.698 635 HG22 VAL 78 1HG2 VAL 78 -7.478 0.964 -3.267 636 HG23 VAL 78 2HG2 VAL 78 -6.442 2.168 -2.514 637 H GLU 79 H GLU 79 -10.707 0.858 -0.781 638 HA GLU 79 HA GLU 79 -11.640 0.477 -3.537 639 HB2 GLU 79 2HB GLU 79 -13.219 0.581 -0.972 640 HB3 GLU 79 1HB GLU 79 -13.975 0.697 -2.556 641 HG2 GLU 79 2HG GLU 79 -12.953 -1.456 -3.220 642 HG3 GLU 79 1HG GLU 79 -12.183 -1.593 -1.660 643 H SER 80 H SER 80 -11.743 2.109 -4.695 644 HA SER 80 HA SER 80 -11.230 4.714 -3.592 645 HB2 SER 80 2HB SER 80 -10.913 5.358 -5.892 646 HB3 SER 80 1HB SER 80 -10.085 3.847 -5.620 647 HG SER 80 HG SER 80 -11.994 2.816 -6.393 648 H LYS 81 H LYS 81 -12.531 6.375 -5.245 649 HA LYS 81 HA LYS 81 -15.138 6.454 -4.140 650 HB2 LYS 81 2HB LYS 81 -14.167 7.882 -6.611 651 HB3 LYS 81 1HB LYS 81 -15.458 8.362 -5.521 652 HG2 LYS 81 2HG LYS 81 -12.508 8.222 -4.784 653 HG3 LYS 81 1HG LYS 81 -13.445 9.674 -5.122 654 HD2 LYS 81 2HD LYS 81 -14.443 7.861 -2.934 655 HD3 LYS 81 1HD LYS 81 -13.036 8.855 -2.658 656 HE2 LYS 81 2HE LYS 81 -15.008 10.417 -4.041 657 HE3 LYS 81 1HE LYS 81 -15.694 9.747 -2.547 658 HZ1 LYS 81 3HZ LYS 81 -13.817 11.759 -3.026 659 HZ2 LYS 81 1HZ LYS 81 -13.174 10.769 -1.824 660 HZ3 LYS 81 2HZ LYS 81 -14.720 11.564 -1.717 661 H LYS 82 H LYS 82 -13.761 5.206 -7.133 662 HA LYS 82 HA LYS 82 -16.480 4.381 -7.995 663 HB2 LYS 82 2HB LYS 82 -14.204 4.685 -9.915 664 HB3 LYS 82 1HB LYS 82 -15.929 4.824 -10.194 665 HG2 LYS 82 2HG LYS 82 -14.308 6.860 -8.595 666 HG3 LYS 82 1HG LYS 82 -14.759 7.047 -10.280 667 HD2 LYS 82 2HD LYS 82 -17.086 7.007 -9.716 668 HD3 LYS 82 1HD LYS 82 -16.732 6.788 -7.995 669 HE2 LYS 82 2HE LYS 82 -15.480 8.921 -7.967 670 HE3 LYS 82 1HE LYS 82 -15.754 9.109 -9.686 671 HZ1 LYS 82 3HZ LYS 82 -17.750 9.388 -7.481 672 HZ2 LYS 82 1HZ LYS 82 -18.218 9.034 -9.099 673 HZ3 LYS 82 2HZ LYS 82 -17.263 10.386 -8.760 674 H LYS 83 H LYS 83 -13.066 3.436 -7.672 675 HA LYS 83 HA LYS 83 -13.782 0.727 -8.588 676 HB2 LYS 83 2HB LYS 83 -11.259 2.300 -9.005 677 HB3 LYS 83 1HB LYS 83 -11.448 0.605 -9.426 678 HG2 LYS 83 2HG LYS 83 -13.464 1.230 -10.828 679 HG3 LYS 83 1HG LYS 83 -13.126 2.893 -10.464 680 HD2 LYS 83 2HD LYS 83 -10.906 2.740 -11.437 681 HD3 LYS 83 1HD LYS 83 -11.203 1.036 -11.850 682 HE2 LYS 83 2HE LYS 83 -13.088 3.180 -12.657 683 HE3 LYS 83 1HE LYS 83 -11.673 2.871 -13.690 684 HZ1 LYS 83 3HZ LYS 83 -13.173 1.428 -14.590 685 HZ2 LYS 83 1HZ LYS 83 -14.079 1.292 -13.186 686 HZ3 LYS 83 2HZ LYS 83 -12.647 0.386 -13.370 687 H ILE 84 H ILE 84 -11.869 -0.848 -7.989 688 HA ILE 84 HA ILE 84 -11.101 -0.506 -5.154 689 HB ILE 84 HB ILE 84 -11.425 -3.071 -6.742 690 HG12 ILE 84 2HG1 ILE 84 -13.337 -3.051 -4.744 691 HG13 ILE 84 1HG1 ILE 84 -13.334 -1.365 -5.297 692 HG21 ILE 84 1HG2 ILE 84 -10.690 -2.410 -3.879 693 HG22 ILE 84 2HG2 ILE 84 -9.948 -3.552 -4.998 694 HG23 ILE 84 3HG2 ILE 84 -11.502 -3.926 -4.269 695 HD11 ILE 84 3HD1 ILE 84 -14.916 -2.519 -6.666 696 HD12 ILE 84 1HD1 ILE 84 -13.786 -3.851 -6.935 697 HD13 ILE 84 2HD1 ILE 84 -13.478 -2.263 -7.655 698 H ALA 85 H ALA 85 -8.988 -0.401 -4.745 699 HA ALA 85 HA ALA 85 -7.106 -1.002 -6.956 700 HB1 ALA 85 1HB ALA 85 -6.077 0.982 -6.742 701 HB2 ALA 85 2HB ALA 85 -6.273 1.037 -4.996 702 HB3 ALA 85 3HB ALA 85 -7.615 1.495 -6.051 703 H LEU 86 H LEU 86 -4.910 -1.385 -6.316 704 HA LEU 86 HA LEU 86 -4.683 -2.815 -3.753 705 HB2 LEU 86 2HB LEU 86 -4.411 -4.463 -5.292 706 HB3 LEU 86 1HB LEU 86 -3.663 -3.456 -6.502 707 HG LEU 86 HG LEU 86 -1.600 -3.326 -5.069 708 HD11 LEU 86 1HD1 LEU 86 -1.705 -3.913 -2.938 709 HD12 LEU 86 2HD1 LEU 86 -2.035 -5.581 -3.395 710 HD13 LEU 86 3HD1 LEU 86 -3.365 -4.466 -3.111 711 HD21 LEU 86 3HD2 LEU 86 -2.691 -5.833 -6.239 712 HD22 LEU 86 1HD2 LEU 86 -1.297 -6.017 -5.180 713 HD23 LEU 86 2HD2 LEU 86 -1.211 -4.972 -6.616 714 H VAL 87 H VAL 87 -3.214 -2.128 -2.308 715 HA VAL 87 HA VAL 87 -1.114 -0.260 -3.222 716 HB VAL 87 HB VAL 87 -2.580 -0.292 -0.578 717 HG11 VAL 87 1HG1 VAL 87 -1.385 2.044 -0.487 718 HG12 VAL 87 2HG1 VAL 87 -0.288 1.329 -1.664 719 HG13 VAL 87 3HG1 VAL 87 -0.488 0.587 -0.074 720 HG21 VAL 87 3HG2 VAL 87 -4.018 0.543 -2.424 721 HG22 VAL 87 1HG2 VAL 87 -2.775 1.703 -2.882 722 HG23 VAL 87 2HG2 VAL 87 -3.603 1.845 -1.331 723 H HIS 88 H HIS 88 0.903 -0.912 -2.760 724 HA HIS 88 HA HIS 88 1.281 -2.923 -0.642 725 HB2 HIS 88 2HB HIS 88 1.332 -4.303 -2.516 726 HB3 HIS 88 1HB HIS 88 2.097 -3.073 -3.509 727 HD1 HIS 88 1HD HIS 88 3.950 -4.812 -4.186 728 HD2 HIS 88 2HD HIS 88 3.901 -3.906 -0.101 729 HE1 HIS 88 1HE HIS 88 6.141 -5.658 -3.210 730 HE2 HIS 88 2HE HIS 88 6.126 -5.153 -0.758 731 H LEU 89 H LEU 89 2.708 -2.346 0.790 732 HA LEU 89 HA LEU 89 4.821 -0.420 0.022 733 HB2 LEU 89 2HB LEU 89 2.967 0.682 1.276 734 HB3 LEU 89 1HB LEU 89 3.282 -0.412 2.614 735 HG LEU 89 HG LEU 89 5.633 1.111 1.533 736 HD11 LEU 89 1HD1 LEU 89 5.016 3.150 2.186 737 HD12 LEU 89 2HD1 LEU 89 4.283 2.570 3.673 738 HD13 LEU 89 3HD1 LEU 89 3.357 2.564 2.178 739 HD21 LEU 89 3HD2 LEU 89 6.557 0.400 3.450 740 HD22 LEU 89 1HD2 LEU 89 5.126 -0.581 3.758 741 HD23 LEU 89 2HD2 LEU 89 5.240 1.042 4.421 742 H GLU 90 H GLU 90 6.783 -0.775 0.742 743 HA GLU 90 HA GLU 90 7.173 -2.846 2.782 744 HB2 GLU 90 2HB GLU 90 8.820 -2.332 0.332 745 HB3 GLU 90 1HB GLU 90 9.460 -3.205 1.711 746 HG2 GLU 90 2HG GLU 90 7.727 -4.845 1.577 747 HG3 GLU 90 1HG GLU 90 6.860 -3.987 0.338 748 H ALA 91 H ALA 91 8.373 -2.296 4.478 749 HA ALA 91 HA ALA 91 10.057 0.068 4.318 750 HB1 ALA 91 1HB ALA 91 9.136 1.088 6.324 751 HB2 ALA 91 2HB ALA 91 7.980 -0.234 6.503 752 HB3 ALA 91 3HB ALA 91 7.839 0.883 5.152 753 H LYS 92 H LYS 92 11.603 0.202 6.073 754 HA LYS 92 HA LYS 92 11.829 -2.362 7.475 755 HB2 LYS 92 2HB LYS 92 14.267 -2.332 7.226 756 HB3 LYS 92 1HB LYS 92 13.457 -2.527 5.689 757 HG2 LYS 92 2HG LYS 92 13.703 -0.054 5.292 758 HG3 LYS 92 1HG LYS 92 14.602 0.071 6.803 759 HD2 LYS 92 2HD LYS 92 16.278 -1.540 5.944 760 HD3 LYS 92 1HD LYS 92 15.376 -1.633 4.434 761 HE2 LYS 92 2HE LYS 92 15.729 0.773 4.043 762 HE3 LYS 92 1HE LYS 92 16.610 0.889 5.561 763 HZ1 LYS 92 3HZ LYS 92 17.554 -0.047 3.018 764 HZ2 LYS 92 1HZ LYS 92 17.815 -1.197 4.227 765 HZ3 LYS 92 2HZ LYS 92 18.427 0.347 4.416 766 H GLU 93 H GLU 93 12.581 -2.334 9.531 767 HA GLU 93 HA GLU 93 12.767 0.304 10.820 768 HB2 GLU 93 2HB GLU 93 13.046 -2.450 12.076 769 HB3 GLU 93 1HB GLU 93 12.858 -0.936 12.918 770 HG2 GLU 93 2HG GLU 93 10.598 -0.616 11.845 771 HG3 GLU 93 1HG GLU 93 10.806 -2.188 11.090 772 H SER 94 H SER 94 14.702 1.303 10.737 773 HA SER 94 HA SER 94 16.978 0.085 9.798 774 HB2 SER 94 2HB SER 94 17.589 2.379 11.467 775 HB3 SER 94 1HB SER 94 17.703 2.168 9.752 776 HG SER 94 HG SER 94 16.108 3.762 10.487 777 H LYS 95 H LYS 95 16.905 1.517 13.058 778 HA LYS 95 HA LYS 95 17.793 -1.006 14.137 779 HB2 LYS 95 2HB LYS 95 19.756 0.756 13.474 780 HB3 LYS 95 1HB LYS 95 19.443 1.257 15.117 781 HG2 LYS 95 2HG LYS 95 21.119 -0.431 15.218 782 HG3 LYS 95 1HG LYS 95 19.647 -1.167 15.842 783 HD2 LYS 95 2HD LYS 95 20.022 -1.434 12.900 784 HD3 LYS 95 1HD LYS 95 21.229 -2.254 13.864 785 HE2 LYS 95 2HE LYS 95 19.024 -3.040 15.245 786 HE3 LYS 95 1HE LYS 95 18.314 -2.854 13.645 787 HZ1 LYS 95 3HZ LYS 95 19.399 -5.077 14.329 788 HZ2 LYS 95 1HZ LYS 95 20.853 -4.338 13.971 789 HZ3 LYS 95 2HZ LYS 95 19.645 -4.523 12.776 790 H GLN 96 H GLN 96 17.489 2.372 15.149 791 HA GLN 96 HA GLN 96 15.607 1.462 17.238 792 HB2 GLN 96 2HB GLN 96 17.866 3.487 17.576 793 HB3 GLN 96 1HB GLN 96 16.525 3.330 18.650 794 HG2 GLN 96 2HG GLN 96 17.804 1.802 19.753 795 HG3 GLN 96 1HG GLN 96 17.152 0.703 18.550 796 HE21 GLN 96 1HE2 GLN 96 19.302 2.749 16.896 797 HE22 GLN 96 2HE2 GLN 96 20.667 1.773 17.029 798 H ASN 97 H ASN 97 15.273 2.561 14.516 799 HA ASN 97 HA ASN 97 14.178 5.201 14.941 800 HB2 ASN 97 2HB ASN 97 15.179 4.321 12.726 801 HB3 ASN 97 1HB ASN 97 13.608 3.550 12.505 802 HD21 ASN 97 1HD2 ASN 97 14.582 5.738 10.828 803 HD22 ASN 97 2HD2 ASN 97 13.522 7.038 11.070 804 H TYR 98 H TYR 98 12.134 5.794 15.105 805 HA TYR 98 HA TYR 98 10.259 4.131 16.384 806 HB2 TYR 98 2HB TYR 98 9.876 6.769 14.964 807 HB3 TYR 98 1HB TYR 98 8.745 6.048 16.111 808 HD1 TYR 98 1HD TYR 98 12.102 7.574 15.720 809 HD2 TYR 98 2HD TYR 98 9.230 5.969 18.481 810 HE1 TYR 98 1HE TYR 98 13.402 8.473 17.582 811 HE2 TYR 98 2HE TYR 98 10.534 6.876 20.361 812 HH TYR 98 HH TYR 98 13.519 7.629 20.317 813 H GLN 99 H GLN 99 10.384 5.375 13.059 814 HA GLN 99 HA GLN 99 8.395 3.336 12.336 815 HB2 GLN 99 2HB GLN 99 8.757 6.142 11.287 816 HB3 GLN 99 1HB GLN 99 7.908 4.923 10.352 817 HG2 GLN 99 2HG GLN 99 7.153 5.563 13.220 818 HG3 GLN 99 1HG GLN 99 6.444 6.367 11.834 819 HE21 GLN 99 1HE2 GLN 99 6.818 3.115 13.307 820 HE22 GLN 99 2HE2 GLN 99 5.458 2.469 12.529 821 HA PRO 100 HA PRO 100 11.543 1.566 9.883 822 HB2 PRO 100 2HB PRO 100 10.077 0.179 8.100 823 HB3 PRO 100 1HB PRO 100 10.197 -0.307 9.802 824 HG2 PRO 100 2HG PRO 100 8.016 1.202 8.435 825 HG3 PRO 100 1HG PRO 100 7.891 -0.125 9.613 826 HD2 PRO 100 2HD PRO 100 7.563 2.469 10.311 827 HD3 PRO 100 1HD PRO 100 8.251 1.260 11.423 828 H ASP 101 H ASP 101 12.591 1.972 7.966 829 HA ASP 101 HA ASP 101 12.064 4.376 6.522 830 HB2 ASP 101 2HB ASP 101 14.335 3.126 6.776 831 HB3 ASP 101 1HB ASP 101 13.687 2.060 5.554 832 H PHE 102 H PHE 102 10.728 4.672 4.752 833 HA PHE 102 HA PHE 102 9.182 2.428 3.811 834 HB2 PHE 102 2HB PHE 102 9.378 5.259 2.737 835 HB3 PHE 102 1HB PHE 102 8.254 4.044 2.160 836 HD1 PHE 102 1HD PHE 102 6.682 2.948 3.915 837 HD2 PHE 102 2HD PHE 102 8.801 6.627 4.591 838 HE1 PHE 102 1HE PHE 102 5.080 3.550 5.714 839 HE2 PHE 102 2HE PHE 102 7.209 7.218 6.381 840 HZ PHE 102 HZ PHE 102 5.349 5.686 6.953 841 H ILE 103 H ILE 103 10.466 0.962 2.906 842 HA ILE 103 HA ILE 103 12.640 1.461 1.183 843 HB ILE 103 HB ILE 103 11.012 -1.035 1.702 844 HG12 ILE 103 2HG1 ILE 103 13.813 -0.305 2.592 845 HG13 ILE 103 1HG1 ILE 103 12.400 0.032 3.591 846 HG21 ILE 103 1HG2 ILE 103 12.069 -1.322 -0.447 847 HG22 ILE 103 2HG2 ILE 103 13.055 -2.167 0.736 848 HG23 ILE 103 3HG2 ILE 103 13.567 -0.599 0.137 849 HD11 ILE 103 3HD1 ILE 103 13.804 -2.344 3.593 850 HD12 ILE 103 1HD1 ILE 103 12.462 -2.686 2.510 851 HD13 ILE 103 2HD1 ILE 103 12.140 -2.139 4.150 852 H ASN 104 H ASN 104 9.282 0.479 0.638 853 HA ASN 104 HA ASN 104 9.362 1.527 -2.074 854 HB2 ASN 104 2HB ASN 104 10.279 -0.838 -2.207 855 HB3 ASN 104 1HB ASN 104 8.697 -1.392 -1.674 856 HD21 ASN 104 1HD2 ASN 104 10.330 -1.232 -4.427 857 HD22 ASN 104 2HD2 ASN 104 9.112 -0.825 -5.529 858 H MET 105 H MET 105 7.271 1.849 -2.885 859 HA MET 105 HA MET 105 5.035 0.621 -1.804 860 HB2 MET 105 2HB MET 105 4.289 1.912 -0.128 861 HB3 MET 105 1HB MET 105 5.828 2.754 -0.174 862 HG2 MET 105 2HG MET 105 4.143 4.435 -0.323 863 HG3 MET 105 1HG MET 105 4.795 4.275 -1.942 864 HE1 MET 105 3HE MET 105 0.755 3.037 -0.252 865 HE2 MET 105 1HE MET 105 2.213 3.595 0.580 866 HE3 MET 105 2HE MET 105 2.051 1.919 0.061 867 H TYR 106 H TYR 106 3.513 0.530 -3.259 868 HA TYR 106 HA TYR 106 3.214 2.688 -5.204 869 HB2 TYR 106 2HB TYR 106 3.329 1.166 -7.126 870 HB3 TYR 106 1HB TYR 106 4.837 1.128 -6.237 871 HD1 TYR 106 2HD TYR 106 5.442 -0.800 -4.824 872 HD2 TYR 106 1HD TYR 106 1.805 -0.742 -7.115 873 HE1 TYR 106 2HE TYR 106 5.205 -3.208 -4.497 874 HE2 TYR 106 1HE TYR 106 1.547 -3.164 -6.794 875 HH TYR 106 HH TYR 106 3.223 -5.115 -6.329 876 H VAL 107 H VAL 107 1.308 2.415 -6.544 877 HA VAL 107 HA VAL 107 -0.810 0.906 -5.137 878 HB VAL 107 HB VAL 107 -0.870 3.668 -6.361 879 HG11 VAL 107 1HG1 VAL 107 -2.952 2.665 -6.967 880 HG12 VAL 107 2HG1 VAL 107 -3.258 3.671 -5.554 881 HG13 VAL 107 3HG1 VAL 107 -3.129 1.918 -5.374 882 HG21 VAL 107 3HG2 VAL 107 -0.947 2.549 -3.563 883 HG22 VAL 107 1HG2 VAL 107 -1.801 4.048 -3.926 884 HG23 VAL 107 2HG2 VAL 107 -0.061 3.924 -4.198 885 H ASP 108 H ASP 108 -1.961 -0.417 -6.385 886 HA ASP 108 HA ASP 108 -1.650 -0.237 -9.327 887 HB2 ASP 108 2HB ASP 108 -1.078 -2.479 -8.063 888 HB3 ASP 108 1HB ASP 108 -2.795 -2.572 -7.856 889 H VAL 109 H VAL 109 -3.227 0.909 -10.175 890 HA VAL 109 HA VAL 109 -5.946 0.571 -9.100 891 HB VAL 109 HB VAL 109 -4.879 2.825 -10.817 892 HG11 VAL 109 1HG1 VAL 109 -6.946 3.872 -10.513 893 HG12 VAL 109 2HG1 VAL 109 -7.409 2.829 -9.174 894 HG13 VAL 109 3HG1 VAL 109 -7.412 2.205 -10.819 895 HG21 VAL 109 3HG2 VAL 109 -3.942 3.556 -8.895 896 HG22 VAL 109 1HG2 VAL 109 -4.733 2.314 -7.928 897 HG23 VAL 109 2HG2 VAL 109 -5.572 3.815 -8.295 898 HA PRO 110 HA PRO 110 -6.682 -1.922 -12.707 899 HB2 PRO 110 2HB PRO 110 -9.520 -1.051 -12.322 900 HB3 PRO 110 1HB PRO 110 -8.847 -2.680 -12.472 901 HG2 PRO 110 2HG PRO 110 -9.609 -1.767 -10.129 902 HG3 PRO 110 1HG PRO 110 -8.128 -2.733 -10.254 903 HD2 PRO 110 2HD PRO 110 -8.435 0.207 -9.882 904 HD3 PRO 110 1HD PRO 110 -7.223 -0.927 -9.225 905 H GLY 111 H GLY 111 -6.662 -1.442 -14.866 906 HA2 GLY 111 2HA GLY 111 -7.031 -0.367 -16.879 907 HA3 GLY 111 1HA GLY 111 -8.190 0.678 -16.069 908 H GLU 112 H GLU 112 -5.466 0.810 -14.220 909 HA GLU 112 HA GLU 112 -4.476 3.195 -15.635 910 HB2 GLU 112 2HB GLU 112 -4.874 2.698 -12.710 911 HB3 GLU 112 1HB GLU 112 -3.960 4.059 -13.336 912 HG2 GLU 112 2HG GLU 112 -6.818 3.442 -14.126 913 HG3 GLU 112 1HG GLU 112 -6.402 4.609 -12.866 914 H LYS 113 H LYS 113 -2.302 3.843 -15.094 915 HA LYS 113 HA LYS 113 -0.474 1.681 -15.427 916 HB2 LYS 113 2HB LYS 113 -0.129 4.667 -15.085 917 HB3 LYS 113 1HB LYS 113 1.225 3.573 -14.984 918 HG2 LYS 113 2HG LYS 113 0.928 4.416 -17.283 919 HG3 LYS 113 1HG LYS 113 0.805 2.669 -17.215 920 HD2 LYS 113 2HD LYS 113 -1.584 2.723 -17.346 921 HD3 LYS 113 1HD LYS 113 -1.639 4.470 -17.106 922 HE2 LYS 113 2HE LYS 113 -0.178 3.229 -19.432 923 HE3 LYS 113 1HE LYS 113 -1.909 3.557 -19.468 924 HZ1 LYS 113 3HZ LYS 113 -0.201 5.368 -20.245 925 HZ2 LYS 113 1HZ LYS 113 -0.078 5.707 -18.607 926 HZ3 LYS 113 2HZ LYS 113 -1.563 5.847 -19.365 927 H ARG 114 H ARG 114 1.134 1.066 -13.991 928 HA ARG 114 HA ARG 114 0.422 0.862 -11.263 929 HB2 ARG 114 2HB ARG 114 2.597 -0.151 -10.989 930 HB3 ARG 114 1HB ARG 114 1.935 -0.703 -12.521 931 HG2 ARG 114 2HG ARG 114 3.215 1.254 -13.619 932 HG3 ARG 114 1HG ARG 114 4.055 1.421 -12.086 933 HD2 ARG 114 2HD ARG 114 4.556 -1.099 -12.287 934 HD3 ARG 114 1HD ARG 114 4.028 -0.896 -13.959 935 HE ARG 114 HE ARG 114 5.827 1.048 -13.850 936 HH11 ARG 114 1HH2 ARG 114 5.974 -2.238 -12.632 937 HH12 ARG 114 2HH2 ARG 114 7.675 -2.325 -12.707 938 HH21 ARG 114 1HH1 ARG 114 8.176 0.907 -13.930 939 HH22 ARG 114 2HH1 ARG 114 8.910 -0.538 -13.438 940 H TYR 115 H TYR 115 0.605 2.387 -9.695 941 HA TYR 115 HA TYR 115 2.291 4.732 -10.279 942 HB2 TYR 115 2HB TYR 115 -0.162 5.017 -9.856 943 HB3 TYR 115 1HB TYR 115 0.120 4.506 -8.190 944 HD1 TYR 115 1HD TYR 115 0.842 7.120 -10.729 945 HD2 TYR 115 2HD TYR 115 1.288 5.939 -6.621 946 HE1 TYR 115 1HE TYR 115 1.585 9.396 -10.158 947 HE2 TYR 115 2HE TYR 115 2.031 8.242 -6.054 948 HH TYR 115 HH TYR 115 1.777 10.881 -8.313 949 H TYR 116 H TYR 116 4.153 4.899 -9.207 950 HA TYR 116 HA TYR 116 4.500 3.356 -6.721 951 HB2 TYR 116 2HB TYR 116 6.461 4.472 -8.710 952 HB3 TYR 116 1HB TYR 116 6.943 4.062 -7.067 953 HD1 TYR 116 1HD TYR 116 5.234 2.636 -10.075 954 HD2 TYR 116 2HD TYR 116 7.415 1.833 -6.460 955 HE1 TYR 116 1HE TYR 116 5.372 0.244 -10.687 956 HE2 TYR 116 2HE TYR 116 7.557 -0.547 -7.070 957 HH TYR 116 HH TYR 116 7.035 -1.692 -10.100 958 H LEU 117 H LEU 117 3.677 4.572 -5.176 959 HA LEU 117 HA LEU 117 3.879 7.391 -4.999 960 HB2 LEU 117 2HB LEU 117 2.177 6.145 -3.767 961 HB3 LEU 117 1HB LEU 117 3.428 5.327 -2.842 962 HG LEU 117 HG LEU 117 4.174 7.496 -1.907 963 HD11 LEU 117 1HD1 LEU 117 2.530 9.436 -2.288 964 HD12 LEU 117 2HD1 LEU 117 2.034 8.551 -3.740 965 HD13 LEU 117 3HD1 LEU 117 3.710 9.085 -3.549 966 HD21 LEU 117 3HD2 LEU 117 1.359 7.829 -1.287 967 HD22 LEU 117 1HD2 LEU 117 2.678 7.240 -0.281 968 HD23 LEU 117 2HD2 LEU 117 1.809 6.110 -1.296 969 H ILE 118 H ILE 118 5.764 4.704 -3.698 970 HA ILE 118 HA ILE 118 7.908 6.619 -3.062 971 HB ILE 118 HB ILE 118 7.115 4.123 -1.551 972 HG12 ILE 118 2HG1 ILE 118 7.241 7.024 -0.645 973 HG13 ILE 118 1HG1 ILE 118 5.760 6.214 -1.145 974 HG21 ILE 118 1HG2 ILE 118 9.717 5.372 -1.769 975 HG22 ILE 118 2HG2 ILE 118 9.219 4.009 -0.776 976 HG23 ILE 118 3HG2 ILE 118 9.083 5.632 -0.145 977 HD11 ILE 118 3HD1 ILE 118 7.276 5.994 1.353 978 HD12 ILE 118 1HD1 ILE 118 6.783 4.437 0.691 979 HD13 ILE 118 2HD1 ILE 118 5.570 5.673 1.054 980 H LYS 119 H LYS 119 9.649 6.303 -4.213 981 HA LYS 119 HA LYS 119 9.976 3.827 -5.714 982 HB2 LYS 119 2HB LYS 119 11.785 6.235 -5.777 983 HB3 LYS 119 1HB LYS 119 11.631 5.010 -7.017 984 HG2 LYS 119 2HG LYS 119 9.196 6.658 -6.284 985 HG3 LYS 119 1HG LYS 119 10.463 7.351 -7.296 986 HD2 LYS 119 2HD LYS 119 10.229 5.556 -8.940 987 HD3 LYS 119 1HD LYS 119 9.081 4.726 -7.896 988 HE2 LYS 119 2HE LYS 119 7.931 6.019 -9.702 989 HE3 LYS 119 1HE LYS 119 7.487 6.558 -8.097 990 HZ1 LYS 119 3HZ LYS 119 7.943 8.454 -9.438 991 HZ2 LYS 119 1HZ LYS 119 9.440 7.891 -9.925 992 HZ3 LYS 119 2HZ LYS 119 9.190 8.355 -8.332 993 HA PRO 120 HA PRO 120 12.730 2.477 -2.528 994 HB2 PRO 120 2HB PRO 120 14.001 0.483 -3.786 995 HB3 PRO 120 1HB PRO 120 12.375 0.318 -3.107 996 HG2 PRO 120 2HG PRO 120 13.115 0.803 -5.965 997 HG3 PRO 120 1HG PRO 120 11.843 -0.234 -5.318 998 HD2 PRO 120 2HD PRO 120 11.263 2.184 -6.329 999 HD3 PRO 120 1HD PRO 120 10.374 1.550 -4.924 1000 H LYS 121 H LYS 121 15.059 1.989 -2.274 1001 HA LYS 121 HA LYS 121 16.572 4.267 -2.839 1002 HB2 LYS 121 2HB LYS 121 17.498 1.465 -2.186 1003 HB3 LYS 121 1HB LYS 121 18.503 2.893 -2.180 1004 HG2 LYS 121 2HG LYS 121 17.839 2.334 -0.078 1005 HG3 LYS 121 1HG LYS 121 17.065 3.924 -0.384 1006 HD2 LYS 121 2HD LYS 121 14.903 2.713 -0.598 1007 HD3 LYS 121 1HD LYS 121 15.742 1.142 -0.567 1008 HE2 LYS 121 2HE LYS 121 14.668 1.719 1.593 1009 HE3 LYS 121 1HE LYS 121 16.413 1.564 1.736 1010 HZ1 LYS 121 3HZ LYS 121 15.387 4.240 1.133 1011 HZ2 LYS 121 1HZ LYS 121 16.644 3.767 2.151 1012 HZ3 LYS 121 2HZ LYS 121 15.044 3.629 2.657 1013 H LEU 122 H LEU 122 16.663 1.044 -4.221 1014 HA LEU 122 HA LEU 122 17.541 0.140 -6.037 1015 HB2 LEU 122 2HB LEU 122 16.995 2.838 -7.325 1016 HB3 LEU 122 1HB LEU 122 17.296 1.348 -8.186 1017 HG LEU 122 HG LEU 122 14.973 1.777 -6.272 1018 HD11 LEU 122 1HD1 LEU 122 14.490 3.059 -8.190 1019 HD12 LEU 122 2HD1 LEU 122 13.674 1.518 -8.470 1020 HD13 LEU 122 3HD1 LEU 122 15.191 1.859 -9.277 1021 HD21 LEU 122 3HD2 LEU 122 15.983 -0.592 -7.868 1022 HD22 LEU 122 1HD2 LEU 122 14.256 -0.378 -7.625 1023 HD23 LEU 122 2HD2 LEU 122 15.325 -0.545 -6.241 1024 H HIS 123 H HIS 123 18.730 3.499 -6.184 1025 HA HIS 123 HA HIS 123 21.494 2.606 -5.889 1026 HB2 HIS 123 2HB HIS 123 20.378 3.754 -8.432 1027 HB3 HIS 123 1HB HIS 123 21.921 4.367 -7.883 1028 HD1 HIS 123 1HD HIS 123 21.019 0.781 -7.135 1029 HD2 HIS 123 2HD HIS 123 23.359 2.910 -9.885 1030 HE1 HIS 123 1HE HIS 123 22.437 -0.917 -8.385 1031 HE2 HIS 123 2HE HIS 123 23.888 0.384 -10.026 1032 HA PRO 124 HA PRO 124 21.820 6.434 -3.682 1033 HB2 PRO 124 2HB PRO 124 24.250 7.448 -4.535 1034 HB3 PRO 124 1HB PRO 124 24.057 6.151 -3.347 1035 HG2 PRO 124 2HG PRO 124 24.698 5.959 -6.248 1036 HG3 PRO 124 1HG PRO 124 25.334 5.025 -4.890 1037 HD2 PRO 124 2HD PRO 124 23.485 3.963 -6.511 1038 HD3 PRO 124 1HD PRO 124 23.487 3.611 -4.774 1039 H VAL 125 H VAL 125 20.191 6.658 -5.884 1040 HA VAL 125 HA VAL 125 19.171 8.095 -7.310 1041 HB VAL 125 HB VAL 125 20.843 10.236 -5.961 1042 HG11 VAL 125 1HG1 VAL 125 19.828 11.161 -7.907 1043 HG12 VAL 125 2HG1 VAL 125 18.793 11.619 -6.560 1044 HG13 VAL 125 3HG1 VAL 125 18.312 10.302 -7.621 1045 HG21 VAL 125 3HG2 VAL 125 18.916 10.499 -4.432 1046 HG22 VAL 125 1HG2 VAL 125 19.515 8.843 -4.332 1047 HG23 VAL 125 2HG2 VAL 125 18.070 9.202 -5.264 1048 H SER 126 H SER 126 22.483 9.305 -7.008 1049 HA SER 126 HA SER 126 22.798 9.794 -9.817 1050 HB2 SER 126 2HB SER 126 24.930 9.371 -7.728 1051 HB3 SER 126 1HB SER 126 25.115 10.238 -9.232 1052 HG SER 126 HG SER 126 24.447 11.218 -6.919 1053 H ASN 127 H ASN 127 23.611 8.397 -11.376 1054 HA ASN 127 HA ASN 127 24.864 5.923 -10.667 1055 HB2 ASN 127 2HB ASN 127 23.115 4.472 -11.669 1056 HB3 ASN 127 1HB ASN 127 22.606 5.234 -10.164 1057 HD21 ASN 127 1HD2 ASN 127 21.169 7.254 -10.423 1058 HD22 ASN 127 2HD2 ASN 127 20.179 7.335 -11.783 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -5.695 1.798 21.498 2 HA2 GLY 1 2HA GLY 1 -5.154 -0.875 20.885 3 HA3 GLY 1 1HA GLY 1 -6.025 0.225 19.827 4 H ALA 2 H ALA 2 -3.893 2.084 19.522 5 HA ALA 2 HA ALA 2 -2.524 0.961 17.302 6 HB1 ALA 2 1HB ALA 2 -3.042 3.387 17.493 7 HB2 ALA 2 2HB ALA 2 -1.341 3.087 17.159 8 HB3 ALA 2 3HB ALA 2 -1.852 3.512 18.788 9 H MET 3 H MET 3 -2.044 -0.608 19.616 10 HA MET 3 HA MET 3 0.699 -0.143 20.494 11 HB2 MET 3 2HB MET 3 -1.299 -2.364 21.012 12 HB3 MET 3 1HB MET 3 0.296 -2.264 21.739 13 HG2 MET 3 2HG MET 3 -0.233 -0.151 22.810 14 HG3 MET 3 1HG MET 3 -1.797 -0.078 22.010 15 HE1 MET 3 3HE MET 3 -4.134 -1.551 23.355 16 HE2 MET 3 1HE MET 3 -3.530 -3.180 23.028 17 HE3 MET 3 2HE MET 3 -3.269 -1.899 21.864 18 H GLY 4 H GLY 4 2.414 -0.984 19.445 19 HA2 GLY 4 2HA GLY 4 3.656 -2.218 17.960 20 HA3 GLY 4 1HA GLY 4 2.390 -3.456 18.025 21 H SER 5 H SER 5 1.730 -0.140 17.274 22 HA SER 5 HA SER 5 0.198 -0.785 15.003 23 HB2 SER 5 2HB SER 5 0.401 1.856 14.731 24 HB3 SER 5 1HB SER 5 -0.562 1.115 15.988 25 HG SER 5 HG SER 5 0.857 1.718 17.450 26 H GLY 6 H GLY 6 3.020 -1.660 14.716 27 HA2 GLY 6 2HA GLY 6 4.469 -0.022 12.975 28 HA3 GLY 6 1HA GLY 6 4.578 -1.779 13.023 29 H ASP 7 H ASP 7 2.102 -2.577 12.252 30 HA ASP 7 HA ASP 7 2.041 -2.089 9.397 31 HB2 ASP 7 2HB ASP 7 0.015 -3.472 9.485 32 HB3 ASP 7 1HB ASP 7 1.361 -4.286 10.268 33 H THR 8 H THR 8 0.145 -1.339 12.159 34 HA THR 8 HA THR 8 -2.053 -0.141 10.946 35 HB THR 8 HB THR 8 -0.962 0.608 13.641 36 HG1 THR 8 1HG THR 8 -1.020 -1.767 13.097 37 HG21 THR 8 3HG2 THR 8 -2.897 1.847 13.150 38 HG22 THR 8 1HG2 THR 8 -3.464 0.516 14.146 39 HG23 THR 8 2HG2 THR 8 -3.719 0.473 12.402 40 H GLN 9 H GLN 9 0.858 1.398 12.345 41 HA GLN 9 HA GLN 9 0.106 4.025 11.627 42 HB2 GLN 9 2HB GLN 9 2.668 2.723 12.507 43 HB3 GLN 9 1HB GLN 9 2.748 4.292 11.741 44 HG2 GLN 9 2HG GLN 9 0.711 3.916 13.892 45 HG3 GLN 9 1HG GLN 9 2.383 4.088 14.362 46 HE21 GLN 9 1HE2 GLN 9 -0.065 5.744 12.250 47 HE22 GLN 9 2HE2 GLN 9 0.563 7.279 12.535 48 H LEU 10 H LEU 10 2.223 1.616 10.099 49 HA LEU 10 HA LEU 10 2.791 3.285 7.906 50 HB2 LEU 10 2HB LEU 10 2.920 0.278 8.120 51 HB3 LEU 10 1HB LEU 10 3.534 1.211 6.756 52 HG LEU 10 HG LEU 10 4.487 1.306 9.632 53 HD11 LEU 10 1HD1 LEU 10 6.093 -0.006 8.976 54 HD12 LEU 10 2HD1 LEU 10 6.533 1.119 7.677 55 HD13 LEU 10 3HD1 LEU 10 5.334 -0.142 7.384 56 HD21 LEU 10 3HD2 LEU 10 4.887 3.496 9.295 57 HD22 LEU 10 1HD2 LEU 10 4.646 3.417 7.552 58 HD23 LEU 10 2HD2 LEU 10 6.194 2.964 8.252 59 H PHE 11 H PHE 11 0.231 0.924 8.452 60 HA PHE 11 HA PHE 11 -0.936 1.112 5.879 61 HB2 PHE 11 2HB PHE 11 -1.700 -0.617 7.313 62 HB3 PHE 11 1HB PHE 11 -2.081 0.511 8.602 63 HD1 PHE 11 1HD PHE 11 -3.045 -0.327 5.047 64 HD2 PHE 11 2HD PHE 11 -4.222 1.485 8.779 65 HE1 PHE 11 1HE PHE 11 -5.307 -0.001 4.180 66 HE2 PHE 11 2HE PHE 11 -6.507 1.803 7.890 67 HZ PHE 11 HZ PHE 11 -7.059 1.066 5.598 68 H ASN 12 H ASN 12 -1.553 2.887 8.891 69 HA ASN 12 HA ASN 12 -3.552 4.594 7.889 70 HB2 ASN 12 2HB ASN 12 -1.509 5.010 10.077 71 HB3 ASN 12 1HB ASN 12 -2.815 6.133 9.750 72 HD21 ASN 12 1HD2 ASN 12 -2.299 4.264 12.110 73 HD22 ASN 12 2HD2 ASN 12 -3.750 3.401 12.277 74 H ARG 13 H ARG 13 -0.068 4.906 8.129 75 HA ARG 13 HA ARG 13 0.150 7.498 7.008 76 HB2 ARG 13 2HB ARG 13 2.059 5.175 7.277 77 HB3 ARG 13 1HB ARG 13 2.528 6.769 6.692 78 HG2 ARG 13 2HG ARG 13 1.994 7.838 8.689 79 HG3 ARG 13 1HG ARG 13 1.081 6.480 9.361 80 HD2 ARG 13 2HD ARG 13 3.158 5.202 9.457 81 HD3 ARG 13 1HD ARG 13 4.101 6.563 8.854 82 HE ARG 13 HE ARG 13 2.485 7.031 11.255 83 HH11 ARG 13 1HH2 ARG 13 5.639 6.249 9.875 84 HH12 ARG 13 2HH2 ARG 13 6.425 6.489 11.379 85 HH21 ARG 13 1HH1 ARG 13 3.666 7.254 13.270 86 HH22 ARG 13 2HH1 ARG 13 5.370 7.021 13.229 87 H ALA 14 H ALA 14 0.641 4.227 5.645 88 HA ALA 14 HA ALA 14 1.186 5.008 3.023 89 HB1 ALA 14 1HB ALA 14 1.585 2.727 3.809 90 HB2 ALA 14 2HB ALA 14 0.544 2.711 2.387 91 HB3 ALA 14 3HB ALA 14 -0.150 2.474 3.992 92 H VAL 15 H VAL 15 -1.926 4.061 4.497 93 HA VAL 15 HA VAL 15 -3.363 4.485 2.146 94 HB VAL 15 HB VAL 15 -4.034 3.257 4.368 95 HG11 VAL 15 1HG1 VAL 15 -5.537 4.497 5.784 96 HG12 VAL 15 2HG1 VAL 15 -5.311 5.953 4.823 97 HG13 VAL 15 3HG1 VAL 15 -3.960 5.283 5.765 98 HG21 VAL 15 3HG2 VAL 15 -6.547 4.046 3.702 99 HG22 VAL 15 1HG2 VAL 15 -5.615 2.883 2.771 100 HG23 VAL 15 2HG2 VAL 15 -5.677 4.571 2.266 101 H SER 16 H SER 16 -2.482 6.687 4.817 102 HA SER 16 HA SER 16 -4.108 8.836 3.939 103 HB2 SER 16 2HB SER 16 -3.147 8.758 6.229 104 HB3 SER 16 1HB SER 16 -1.537 8.878 5.552 105 HG SER 16 HG SER 16 -2.476 10.883 6.280 106 H MET 17 H MET 17 -0.792 7.831 3.385 107 HA MET 17 HA MET 17 0.037 10.013 1.835 108 HB2 MET 17 2HB MET 17 0.998 7.123 1.756 109 HB3 MET 17 1HB MET 17 1.801 8.547 1.105 110 HG2 MET 17 2HG MET 17 2.244 9.486 3.145 111 HG3 MET 17 1HG MET 17 1.048 8.675 4.017 112 HE1 MET 17 3HE MET 17 5.179 7.380 2.786 113 HE2 MET 17 1HE MET 17 4.060 8.470 1.936 114 HE3 MET 17 2HE MET 17 4.032 6.737 1.630 115 H VAL 18 H VAL 18 -1.355 6.863 0.873 116 HA VAL 18 HA VAL 18 -1.332 7.591 -1.897 117 HB VAL 18 HB VAL 18 -2.540 5.515 -2.315 118 HG11 VAL 18 1HG1 VAL 18 -0.799 3.981 -1.396 119 HG12 VAL 18 2HG1 VAL 18 -0.252 5.267 -0.330 120 HG13 VAL 18 3HG1 VAL 18 -0.090 5.443 -2.079 121 HG21 VAL 18 3HG2 VAL 18 -2.908 5.678 0.624 122 HG22 VAL 18 1HG2 VAL 18 -2.633 4.068 -0.028 123 HG23 VAL 18 2HG2 VAL 18 -4.007 5.025 -0.589 124 H GLU 19 H GLU 19 -3.929 7.515 0.575 125 HA GLU 19 HA GLU 19 -6.035 8.011 -1.205 126 HB2 GLU 19 2HB GLU 19 -5.722 8.832 1.688 127 HB3 GLU 19 1HB GLU 19 -7.197 9.027 0.733 128 HG2 GLU 19 2HG GLU 19 -7.296 6.542 0.433 129 HG3 GLU 19 1HG GLU 19 -5.861 6.385 1.382 130 H LYS 20 H LYS 20 -3.781 10.143 0.396 131 HA LYS 20 HA LYS 20 -5.253 12.485 -0.520 132 HB2 LYS 20 2HB LYS 20 -2.791 12.329 1.224 133 HB3 LYS 20 1HB LYS 20 -3.817 13.736 0.989 134 HG2 LYS 20 2HG LYS 20 -4.723 11.100 2.227 135 HG3 LYS 20 1HG LYS 20 -4.386 12.578 3.111 136 HD2 LYS 20 2HD LYS 20 -6.510 13.274 2.774 137 HD3 LYS 20 1HD LYS 20 -6.253 13.297 1.051 138 HE2 LYS 20 2HE LYS 20 -8.153 11.804 1.567 139 HE3 LYS 20 1HE LYS 20 -6.821 10.901 0.913 140 HZ1 LYS 20 3HZ LYS 20 -7.320 9.592 2.797 141 HZ2 LYS 20 1HZ LYS 20 -7.827 10.927 3.674 142 HZ3 LYS 20 2HZ LYS 20 -6.197 10.653 3.469 143 H ASN 21 H ASN 21 -3.019 10.582 -1.921 144 HA ASN 21 HA ASN 21 -1.342 12.660 -3.076 145 HB2 ASN 21 2HB ASN 21 -0.506 10.289 -2.665 146 HB3 ASN 21 1HB ASN 21 -1.568 9.786 -3.952 147 HD21 ASN 21 1HD2 ASN 21 1.540 11.043 -3.326 148 HD22 ASN 21 2HD2 ASN 21 1.951 11.435 -4.918 149 H LYS 22 H LYS 22 -2.047 13.906 -4.624 150 HA LYS 22 HA LYS 22 -4.489 13.806 -5.808 151 HB2 LYS 22 2HB LYS 22 -3.847 15.576 -7.186 152 HB3 LYS 22 1HB LYS 22 -2.818 15.749 -5.775 153 HG2 LYS 22 2HG LYS 22 -1.936 14.370 -8.364 154 HG3 LYS 22 1HG LYS 22 -1.642 16.046 -7.992 155 HD2 LYS 22 2HD LYS 22 -0.738 14.043 -5.919 156 HD3 LYS 22 1HD LYS 22 0.156 14.179 -7.410 157 HE2 LYS 22 2HE LYS 22 -0.527 16.590 -5.719 158 HE3 LYS 22 1HE LYS 22 0.965 15.681 -5.559 159 HZ1 LYS 22 3HZ LYS 22 1.299 17.518 -7.022 160 HZ2 LYS 22 1HZ LYS 22 0.027 17.082 -8.028 161 HZ3 LYS 22 2HZ LYS 22 1.411 16.108 -7.935 162 H ASP 23 H ASP 23 -1.509 12.481 -7.299 163 HA ASP 23 HA ASP 23 -2.828 11.779 -9.703 164 HB2 ASP 23 2HB ASP 23 -0.271 11.917 -9.246 165 HB3 ASP 23 1HB ASP 23 -0.440 10.276 -8.638 166 H ILE 24 H ILE 24 -2.070 9.975 -6.770 167 HA ILE 24 HA ILE 24 -3.349 7.572 -7.586 168 HB ILE 24 HB ILE 24 -2.727 8.599 -4.801 169 HG12 ILE 24 2HG1 ILE 24 -1.450 6.368 -6.418 170 HG13 ILE 24 1HG1 ILE 24 -0.808 8.003 -6.424 171 HG21 ILE 24 1HG2 ILE 24 -4.373 7.060 -4.314 172 HG22 ILE 24 2HG2 ILE 24 -2.983 5.988 -4.416 173 HG23 ILE 24 3HG2 ILE 24 -4.089 6.123 -5.781 174 HD11 ILE 24 3HD1 ILE 24 -0.107 7.882 -4.206 175 HD12 ILE 24 1HD1 ILE 24 0.104 6.206 -4.713 176 HD13 ILE 24 2HD1 ILE 24 -1.322 6.665 -3.795 177 H ARG 25 H ARG 25 -4.452 10.419 -5.770 178 HA ARG 25 HA ARG 25 -7.041 9.511 -5.190 179 HB2 ARG 25 2HB ARG 25 -5.972 12.230 -5.807 180 HB3 ARG 25 1HB ARG 25 -7.675 12.000 -5.488 181 HG2 ARG 25 2HG ARG 25 -6.966 10.810 -3.355 182 HG3 ARG 25 1HG ARG 25 -5.335 11.427 -3.600 183 HD2 ARG 25 2HD ARG 25 -7.880 13.050 -3.255 184 HD3 ARG 25 1HD ARG 25 -6.582 12.910 -2.127 185 HE ARG 25 HE ARG 25 -5.115 14.083 -3.744 186 HH11 ARG 25 1HH2 ARG 25 -8.603 14.259 -4.206 187 HH12 ARG 25 2HH2 ARG 25 -8.533 15.764 -4.998 188 HH21 ARG 25 1HH1 ARG 25 -5.086 16.140 -4.774 189 HH22 ARG 25 2HH1 ARG 25 -6.546 16.850 -5.309 190 H SER 26 H SER 26 -5.689 11.035 -8.015 191 HA SER 26 HA SER 26 -8.054 11.205 -9.500 192 HB2 SER 26 2HB SER 26 -5.212 10.843 -10.359 193 HB3 SER 26 1HB SER 26 -6.502 11.309 -11.470 194 HG SER 26 HG SER 26 -5.419 12.619 -9.192 195 H LEU 27 H LEU 27 -5.622 8.662 -9.126 196 HA LEU 27 HA LEU 27 -6.790 6.755 -10.897 197 HB2 LEU 27 2HB LEU 27 -5.012 6.360 -8.461 198 HB3 LEU 27 1HB LEU 27 -5.476 5.100 -9.592 199 HG LEU 27 HG LEU 27 -4.049 7.636 -10.410 200 HD11 LEU 27 1HD1 LEU 27 -2.113 6.720 -9.792 201 HD12 LEU 27 2HD1 LEU 27 -2.432 5.290 -10.760 202 HD13 LEU 27 3HD1 LEU 27 -2.964 5.351 -9.087 203 HD21 LEU 27 3HD2 LEU 27 -4.768 6.956 -12.463 204 HD22 LEU 27 1HD2 LEU 27 -5.273 5.382 -11.868 205 HD23 LEU 27 2HD2 LEU 27 -3.602 5.651 -12.323 206 H LEU 28 H LEU 28 -7.144 7.503 -7.488 207 HA LEU 28 HA LEU 28 -9.034 5.386 -6.971 208 HB2 LEU 28 2HB LEU 28 -8.282 7.804 -5.314 209 HB3 LEU 28 1HB LEU 28 -9.324 6.501 -4.766 210 HG LEU 28 HG LEU 28 -6.445 6.121 -5.676 211 HD11 LEU 28 1HD1 LEU 28 -7.661 6.302 -2.901 212 HD12 LEU 28 2HD1 LEU 28 -6.447 7.371 -3.594 213 HD13 LEU 28 3HD1 LEU 28 -6.043 5.698 -3.228 214 HD21 LEU 28 3HD2 LEU 28 -7.614 4.069 -5.990 215 HD22 LEU 28 1HD2 LEU 28 -8.569 4.289 -4.523 216 HD23 LEU 28 2HD2 LEU 28 -6.853 3.905 -4.410 217 H GLN 29 H GLN 29 -9.222 8.293 -8.535 218 HA GLN 29 HA GLN 29 -10.913 9.656 -9.237 219 HB2 GLN 29 2HB GLN 29 -12.730 7.416 -8.278 220 HB3 GLN 29 1HB GLN 29 -13.172 8.738 -9.360 221 HG2 GLN 29 2HG GLN 29 -11.021 6.681 -9.961 222 HG3 GLN 29 1HG GLN 29 -12.656 6.603 -10.592 223 HE21 GLN 29 1HE2 GLN 29 -9.827 7.192 -11.826 224 HE22 GLN 29 2HE2 GLN 29 -10.141 8.544 -12.803 225 H CYS 30 H CYS 30 -9.860 9.845 -6.556 226 HA CYS 30 HA CYS 30 -11.889 10.367 -4.650 227 HB2 CYS 30 2HB CYS 30 -9.113 10.313 -4.587 228 HB3 CYS 30 1HB CYS 30 -9.496 12.006 -4.292 229 HG CYS 30 HG CYS 30 -10.722 11.378 -2.157 230 H ASP 31 H ASP 31 -12.706 11.460 -7.008 231 HA ASP 31 HA ASP 31 -12.305 14.270 -7.254 232 HB2 ASP 31 2HB ASP 31 -13.106 13.065 -9.151 233 HB3 ASP 31 1HB ASP 31 -14.476 12.434 -8.264 234 H ASP 32 H ASP 32 -14.846 12.303 -6.001 235 HA ASP 32 HA ASP 32 -16.560 12.660 -4.519 236 HB2 ASP 32 2HB ASP 32 -14.367 14.311 -3.291 237 HB3 ASP 32 1HB ASP 32 -15.842 13.901 -2.441 238 H GLY 33 H GLY 33 -17.513 13.790 -6.391 239 HA2 GLY 33 2HA GLY 33 -18.630 16.303 -5.526 240 HA3 GLY 33 1HA GLY 33 -17.622 16.434 -6.966 241 H ILE 34 H ILE 34 -18.314 15.398 -8.901 242 HA ILE 34 HA ILE 34 -21.082 15.514 -9.325 243 HB ILE 34 HB ILE 34 -19.564 15.915 -11.147 244 HG12 ILE 34 2HG1 ILE 34 -20.539 14.408 -12.869 245 HG13 ILE 34 1HG1 ILE 34 -21.123 13.341 -11.619 246 HG21 ILE 34 1HG2 ILE 34 -17.901 14.041 -10.225 247 HG22 ILE 34 2HG2 ILE 34 -17.968 14.441 -11.931 248 HG23 ILE 34 3HG2 ILE 34 -18.809 13.025 -11.348 249 HD11 ILE 34 3HD1 ILE 34 -22.660 15.275 -12.643 250 HD12 ILE 34 1HD1 ILE 34 -21.904 16.217 -11.361 251 HD13 ILE 34 2HD1 ILE 34 -22.813 14.758 -10.968 252 H THR 35 H THR 35 -18.966 12.718 -8.971 253 HA THR 35 HA THR 35 -21.313 10.988 -9.025 254 HB THR 35 HB THR 35 -19.836 9.762 -10.164 255 HG1 THR 35 1HG THR 35 -19.609 9.124 -7.548 256 HG21 THR 35 3HG2 THR 35 -18.166 11.406 -10.432 257 HG22 THR 35 1HG2 THR 35 -17.347 9.935 -9.952 258 HG23 THR 35 2HG2 THR 35 -17.573 11.224 -8.771 259 H GLY 36 H GLY 36 -20.937 12.937 -6.951 260 HA2 GLY 36 2HA GLY 36 -21.515 13.048 -4.748 261 HA3 GLY 36 1HA GLY 36 -21.589 11.286 -4.701 262 H LYS 37 H LYS 37 -20.552 12.240 -2.531 263 HA LYS 37 HA LYS 37 -17.615 12.204 -2.831 264 HB2 LYS 37 2HB LYS 37 -19.392 13.095 -0.548 265 HB3 LYS 37 1HB LYS 37 -17.641 13.009 -0.467 266 HG2 LYS 37 2HG LYS 37 -17.930 15.256 -1.082 267 HG3 LYS 37 1HG LYS 37 -17.702 14.497 -2.643 268 HD2 LYS 37 2HD LYS 37 -19.587 15.885 -2.938 269 HD3 LYS 37 1HD LYS 37 -20.276 14.296 -2.777 270 HE2 LYS 37 2HE LYS 37 -21.599 15.435 -1.287 271 HE3 LYS 37 1HE LYS 37 -20.342 14.942 -0.170 272 HZ1 LYS 37 3HZ LYS 37 -19.290 17.217 -1.082 273 HZ2 LYS 37 1HZ LYS 37 -20.313 17.163 0.243 274 HZ3 LYS 37 2HZ LYS 37 -20.917 17.583 -1.263 275 H GLU 38 H GLU 38 -16.726 10.306 -2.435 276 HA GLU 38 HA GLU 38 -18.283 8.283 -1.018 277 HB2 GLU 38 2HB GLU 38 -15.810 8.005 -2.672 278 HB3 GLU 38 1HB GLU 38 -16.450 6.693 -1.773 279 HG2 GLU 38 2HG GLU 38 -18.101 8.240 -3.820 280 HG3 GLU 38 1HG GLU 38 -17.370 6.656 -4.090 281 H ARG 39 H ARG 39 -17.287 6.807 0.375 282 HA ARG 39 HA ARG 39 -15.377 8.107 2.234 283 HB2 ARG 39 2HB ARG 39 -16.990 5.653 2.900 284 HB3 ARG 39 1HB ARG 39 -16.301 6.847 3.993 285 HG2 ARG 39 2HG ARG 39 -18.673 7.286 2.135 286 HG3 ARG 39 1HG ARG 39 -18.750 7.109 3.876 287 HD2 ARG 39 2HD ARG 39 -17.327 9.371 2.413 288 HD3 ARG 39 1HD ARG 39 -18.874 9.465 3.225 289 HE ARG 39 HE ARG 39 -16.895 8.508 5.033 290 HH11 ARG 39 1HH2 ARG 39 -17.970 11.360 3.360 291 HH12 ARG 39 2HH2 ARG 39 -17.355 12.452 4.534 292 HH21 ARG 39 1HH1 ARG 39 -16.073 9.928 6.580 293 HH22 ARG 39 2HH1 ARG 39 -16.265 11.622 6.401 294 H LEU 40 H LEU 40 -13.357 7.304 2.001 295 HA LEU 40 HA LEU 40 -12.976 5.043 0.281 296 HB2 LEU 40 2HB LEU 40 -11.001 6.822 1.723 297 HB3 LEU 40 1HB LEU 40 -10.534 5.486 0.687 298 HG LEU 40 HG LEU 40 -12.148 6.589 -1.076 299 HD11 LEU 40 1HD1 LEU 40 -13.169 8.319 0.203 300 HD12 LEU 40 2HD1 LEU 40 -12.005 9.130 -0.834 301 HD13 LEU 40 3HD1 LEU 40 -11.617 8.851 0.857 302 HD21 LEU 40 3HD2 LEU 40 -9.630 6.412 -1.248 303 HD22 LEU 40 1HD2 LEU 40 -9.517 7.975 -0.435 304 HD23 LEU 40 2HD2 LEU 40 -10.298 7.853 -2.006 305 H LYS 41 H LYS 41 -12.232 3.054 0.721 306 HA LYS 41 HA LYS 41 -11.726 2.360 3.531 307 HB2 LYS 41 2HB LYS 41 -13.578 0.945 1.617 308 HB3 LYS 41 1HB LYS 41 -12.928 0.161 3.042 309 HG2 LYS 41 2HG LYS 41 -14.258 2.849 3.381 310 HG3 LYS 41 1HG LYS 41 -15.244 1.425 3.136 311 HD2 LYS 41 2HD LYS 41 -15.062 1.358 5.460 312 HD3 LYS 41 1HD LYS 41 -13.734 0.323 4.987 313 HE2 LYS 41 2HE LYS 41 -13.181 2.076 6.740 314 HE3 LYS 41 1HE LYS 41 -12.107 2.018 5.356 315 HZ1 LYS 41 3HZ LYS 41 -12.887 4.047 4.561 316 HZ2 LYS 41 1HZ LYS 41 -13.155 4.250 6.217 317 HZ3 LYS 41 2HZ LYS 41 -14.444 3.807 5.224 318 H ALA 42 H ALA 42 -10.263 0.761 3.895 319 HA ALA 42 HA ALA 42 -9.047 -0.417 1.554 320 HB1 ALA 42 1HB ALA 42 -6.764 -0.051 2.764 321 HB2 ALA 42 2HB ALA 42 -7.606 1.267 3.574 322 HB3 ALA 42 3HB ALA 42 -7.456 1.258 1.813 323 H TYR 43 H TYR 43 -8.220 -2.475 1.861 324 HA TYR 43 HA TYR 43 -8.020 -3.601 4.514 325 HB2 TYR 43 2HB TYR 43 -9.673 -5.456 3.959 326 HB3 TYR 43 1HB TYR 43 -10.353 -3.890 4.374 327 HD1 TYR 43 1HD TYR 43 -9.649 -6.239 1.589 328 HD2 TYR 43 2HD TYR 43 -11.477 -2.517 2.716 329 HE1 TYR 43 1HE TYR 43 -10.778 -6.178 -0.548 330 HE2 TYR 43 2HE TYR 43 -12.638 -2.427 0.562 331 HH TYR 43 HH TYR 43 -13.040 -3.457 -1.349 332 H GLY 44 H GLY 44 -7.562 -6.056 4.391 333 HA2 GLY 44 2HA GLY 44 -5.250 -6.487 2.869 334 HA3 GLY 44 1HA GLY 44 -6.191 -7.688 3.739 335 H GLU 45 H GLU 45 -4.946 -7.522 1.136 336 HA GLU 45 HA GLU 45 -6.063 -7.298 -1.080 337 HB2 GLU 45 2HB GLU 45 -4.184 -8.749 -0.462 338 HB3 GLU 45 1HB GLU 45 -5.281 -10.119 -0.432 339 HG2 GLU 45 2HG GLU 45 -4.611 -10.183 -2.738 340 HG3 GLU 45 1HG GLU 45 -6.109 -9.237 -2.723 341 H LEU 46 H LEU 46 -7.970 -7.519 -2.044 342 HA LEU 46 HA LEU 46 -10.272 -8.531 -0.860 343 HB2 LEU 46 2HB LEU 46 -10.328 -6.819 -2.571 344 HB3 LEU 46 1HB LEU 46 -9.679 -7.937 -3.757 345 HG LEU 46 HG LEU 46 -12.006 -9.184 -2.590 346 HD11 LEU 46 1HD1 LEU 46 -12.448 -6.333 -3.440 347 HD12 LEU 46 2HD1 LEU 46 -12.794 -7.062 -1.870 348 HD13 LEU 46 3HD1 LEU 46 -13.709 -7.554 -3.288 349 HD21 LEU 46 3HD2 LEU 46 -12.833 -8.795 -5.004 350 HD22 LEU 46 1HD2 LEU 46 -11.346 -9.724 -4.815 351 HD23 LEU 46 2HD2 LEU 46 -11.273 -8.030 -5.292 352 H ILE 47 H ILE 47 -8.220 -9.940 -3.380 353 HA ILE 47 HA ILE 47 -9.661 -11.920 -4.370 354 HB ILE 47 HB ILE 47 -7.333 -11.585 -4.965 355 HG12 ILE 47 2HG1 ILE 47 -7.693 -14.453 -4.025 356 HG13 ILE 47 1HG1 ILE 47 -8.467 -13.797 -5.469 357 HG21 ILE 47 1HG2 ILE 47 -6.390 -13.219 -2.651 358 HG22 ILE 47 2HG2 ILE 47 -6.658 -11.483 -2.407 359 HG23 ILE 47 3HG2 ILE 47 -5.518 -12.050 -3.621 360 HD11 ILE 47 3HD1 ILE 47 -6.487 -14.790 -6.291 361 HD12 ILE 47 1HD1 ILE 47 -5.537 -14.207 -4.929 362 HD13 ILE 47 2HD1 ILE 47 -6.070 -13.078 -6.168 363 H THR 48 H THR 48 -7.845 -12.450 -1.359 364 HA THR 48 HA THR 48 -9.832 -14.509 -0.612 365 HB THR 48 HB THR 48 -7.698 -15.631 -0.897 366 HG1 THR 48 1HG THR 48 -8.309 -16.571 0.809 367 HG21 THR 48 3HG2 THR 48 -6.434 -13.794 1.080 368 HG22 THR 48 1HG2 THR 48 -6.405 -13.344 -0.628 369 HG23 THR 48 2HG2 THR 48 -5.663 -14.848 -0.116 370 H ASN 49 H ASN 49 -7.791 -11.874 0.520 371 HA ASN 49 HA ASN 49 -8.845 -12.055 3.202 372 HB2 ASN 49 2HB ASN 49 -6.519 -11.770 2.754 373 HB3 ASN 49 1HB ASN 49 -6.778 -10.085 2.165 374 HD21 ASN 49 1HD2 ASN 49 -8.199 -8.878 4.043 375 HD22 ASN 49 2HD2 ASN 49 -7.655 -9.170 5.632 376 H ASP 50 H ASP 50 -10.425 -10.964 0.755 377 HA ASP 50 HA ASP 50 -11.109 -8.333 1.344 378 HB2 ASP 50 2HB ASP 50 -13.269 -8.745 0.341 379 HB3 ASP 50 1HB ASP 50 -12.075 -9.603 -0.599 380 H LYS 51 H LYS 51 -12.087 -11.383 2.751 381 HA LYS 51 HA LYS 51 -14.106 -10.402 4.467 382 HB2 LYS 51 2HB LYS 51 -12.387 -12.870 4.800 383 HB3 LYS 51 1HB LYS 51 -13.858 -12.532 5.706 384 HG2 LYS 51 2HG LYS 51 -13.692 -12.822 2.679 385 HG3 LYS 51 1HG LYS 51 -14.285 -14.051 3.785 386 HD2 LYS 51 2HD LYS 51 -16.063 -12.496 4.561 387 HD3 LYS 51 1HD LYS 51 -15.534 -11.294 3.398 388 HE2 LYS 51 2HE LYS 51 -16.567 -14.070 2.740 389 HE3 LYS 51 1HE LYS 51 -17.415 -12.554 2.488 390 HZ1 LYS 51 3HZ LYS 51 -15.216 -11.998 1.091 391 HZ2 LYS 51 1HZ LYS 51 -16.549 -12.843 0.483 392 HZ3 LYS 51 2HZ LYS 51 -15.215 -13.713 0.983 393 H TRP 52 H TRP 52 -11.496 -12.002 6.195 394 HA TRP 52 HA TRP 52 -11.073 -9.479 7.598 395 HB2 TRP 52 2HB TRP 52 -12.338 -11.439 8.822 396 HB3 TRP 52 1HB TRP 52 -10.718 -12.019 9.163 397 HD1 TRP 52 HD TRP 52 -9.749 -11.063 11.339 398 HE1 TRP 52 1HE TRP 52 -10.078 -8.910 12.699 399 HE3 TRP 52 3HE TRP 52 -13.107 -8.620 8.357 400 HZ2 TRP 52 2HZ TRP 52 -11.551 -6.469 12.556 401 HZ3 TRP 52 3HZ TRP 52 -13.953 -6.384 8.995 402 HH2 TRP 52 HH TRP 52 -13.175 -5.302 11.097 403 H THR 53 H THR 53 -9.304 -12.468 8.156 404 HA THR 53 HA THR 53 -6.830 -11.073 7.387 405 HB THR 53 HB THR 53 -6.551 -11.337 9.659 406 HG1 THR 53 1HG THR 53 -5.411 -13.308 8.193 407 HG21 THR 53 3HG2 THR 53 -7.470 -13.213 10.980 408 HG22 THR 53 1HG2 THR 53 -8.107 -13.941 9.512 409 HG23 THR 53 2HG2 THR 53 -8.717 -12.388 10.084 410 H ARG 54 H ARG 54 -8.779 -13.124 6.054 411 HA ARG 54 HA ARG 54 -8.084 -15.553 5.598 412 HB2 ARG 54 2HB ARG 54 -9.237 -13.652 3.928 413 HB3 ARG 54 1HB ARG 54 -8.008 -14.430 2.935 414 HG2 ARG 54 2HG ARG 54 -9.434 -16.116 2.626 415 HG3 ARG 54 1HG ARG 54 -9.336 -16.550 4.309 416 HD2 ARG 54 2HD ARG 54 -11.119 -14.245 3.599 417 HD3 ARG 54 1HD ARG 54 -11.660 -15.846 3.099 418 HE ARG 54 HE ARG 54 -11.451 -14.743 5.768 419 HH11 ARG 54 1HH2 ARG 54 -11.703 -17.637 3.839 420 HH12 ARG 54 2HH2 ARG 54 -12.387 -18.581 5.091 421 HH21 ARG 54 1HH1 ARG 54 -12.370 -16.014 7.464 422 HH22 ARG 54 2HH1 ARG 54 -12.763 -17.643 7.156 423 H ASN 55 H ASN 55 -6.233 -13.298 3.596 424 HA ASN 55 HA ASN 55 -3.912 -15.122 3.930 425 HB2 ASN 55 2HB ASN 55 -4.646 -15.165 1.609 426 HB3 ASN 55 1HB ASN 55 -4.498 -13.404 1.505 427 HD21 ASN 55 1HD2 ASN 55 -2.696 -16.420 1.503 428 HD22 ASN 55 2HD2 ASN 55 -1.183 -15.716 1.244 429 H ARG 56 H ARG 56 -3.844 -11.962 2.433 430 HA ARG 56 HA ARG 56 -2.085 -11.106 4.620 431 HB2 ARG 56 2HB ARG 56 -1.329 -9.375 3.057 432 HB3 ARG 56 1HB ARG 56 -0.880 -11.009 2.580 433 HG2 ARG 56 2HG ARG 56 -3.313 -10.749 1.263 434 HG3 ARG 56 1HG ARG 56 -2.749 -9.090 1.266 435 HD2 ARG 56 2HD ARG 56 -2.053 -10.452 -0.751 436 HD3 ARG 56 1HD ARG 56 -0.753 -9.631 0.113 437 HE ARG 56 HE ARG 56 -1.181 -12.327 1.043 438 HH11 ARG 56 1HH2 ARG 56 0.226 -10.397 -1.508 439 HH12 ARG 56 2HH2 ARG 56 1.490 -11.499 -1.843 440 HH21 ARG 56 1HH1 ARG 56 0.545 -13.823 0.592 441 HH22 ARG 56 2HH1 ARG 56 1.684 -13.437 -0.628 442 HA PRO 57 HA PRO 57 -5.468 -8.217 5.402 443 HB2 PRO 57 2HB PRO 57 -4.940 -8.046 8.055 444 HB3 PRO 57 1HB PRO 57 -6.060 -9.229 7.365 445 HG2 PRO 57 2HG PRO 57 -3.223 -9.615 8.227 446 HG3 PRO 57 1HG PRO 57 -4.597 -10.716 8.390 447 HD2 PRO 57 2HD PRO 57 -2.744 -11.068 6.489 448 HD3 PRO 57 1HD PRO 57 -4.437 -11.490 6.170 449 H ILE 58 H ILE 58 -5.143 -6.020 6.590 450 HA ILE 58 HA ILE 58 -2.846 -4.752 5.546 451 HB ILE 58 HB ILE 58 -4.812 -3.902 7.682 452 HG12 ILE 58 2HG1 ILE 58 -4.545 -2.906 4.856 453 HG13 ILE 58 1HG1 ILE 58 -5.558 -4.306 5.214 454 HG21 ILE 58 1HG2 ILE 58 -3.970 -1.697 7.446 455 HG22 ILE 58 2HG2 ILE 58 -2.867 -2.168 6.149 456 HG23 ILE 58 3HG2 ILE 58 -2.557 -2.689 7.798 457 HD11 ILE 58 3HD1 ILE 58 -5.839 -1.671 6.664 458 HD12 ILE 58 1HD1 ILE 58 -6.997 -3.008 6.571 459 HD13 ILE 58 2HD1 ILE 58 -6.669 -2.018 5.144 460 H VAL 59 H VAL 59 -1.213 -6.197 6.312 461 HA VAL 59 HA VAL 59 -0.237 -5.476 8.982 462 HB VAL 59 HB VAL 59 0.417 -7.821 9.350 463 HG11 VAL 59 1HG1 VAL 59 -1.776 -8.632 9.924 464 HG12 VAL 59 2HG1 VAL 59 -2.495 -7.690 8.625 465 HG13 VAL 59 3HG1 VAL 59 -1.860 -6.864 10.045 466 HG21 VAL 59 3HG2 VAL 59 0.302 -9.403 7.710 467 HG22 VAL 59 1HG2 VAL 59 -0.035 -8.113 6.561 468 HG23 VAL 59 2HG2 VAL 59 -1.353 -8.972 7.312 469 H SER 60 H SER 60 2.082 -5.925 9.171 470 HA SER 60 HA SER 60 3.470 -5.964 6.556 471 HB2 SER 60 2HB SER 60 4.666 -5.003 9.168 472 HB3 SER 60 1HB SER 60 5.322 -4.873 7.556 473 HG SER 60 HG SER 60 2.821 -3.763 7.785 474 H THR 61 H THR 61 4.116 -8.044 6.206 475 HA THR 61 HA THR 61 4.320 -9.863 8.361 476 HB THR 61 HB THR 61 4.956 -11.485 6.787 477 HG1 THR 61 1HG THR 61 6.649 -9.866 5.974 478 HG21 THR 61 3HG2 THR 61 2.706 -10.343 6.358 479 HG22 THR 61 1HG2 THR 61 3.376 -11.270 5.024 480 HG23 THR 61 2HG2 THR 61 3.490 -9.519 5.012 481 H LYS 62 H LYS 62 5.711 -9.131 9.899 482 HA LYS 62 HA LYS 62 8.114 -7.797 9.456 483 HB2 LYS 62 2HB LYS 62 7.297 -9.547 11.782 484 HB3 LYS 62 1HB LYS 62 8.715 -8.506 11.760 485 HG2 LYS 62 2HG LYS 62 5.942 -7.435 11.216 486 HG3 LYS 62 1HG LYS 62 6.604 -7.530 12.850 487 HD2 LYS 62 2HD LYS 62 8.666 -6.273 11.825 488 HD3 LYS 62 1HD LYS 62 7.547 -5.837 10.535 489 HE2 LYS 62 2HE LYS 62 6.893 -4.124 11.864 490 HE3 LYS 62 1HE LYS 62 6.085 -5.315 12.870 491 HZ1 LYS 62 3HZ LYS 62 8.031 -5.508 14.213 492 HZ2 LYS 62 1HZ LYS 62 7.599 -3.886 14.077 493 HZ3 LYS 62 2HZ LYS 62 8.929 -4.444 13.203 494 H LYS 63 H LYS 63 9.968 -8.477 8.606 495 HA LYS 63 HA LYS 63 10.892 -11.163 9.262 496 HB2 LYS 63 2HB LYS 63 10.895 -10.031 6.458 497 HB3 LYS 63 1HB LYS 63 11.741 -11.498 6.958 498 HG2 LYS 63 2HG LYS 63 9.409 -12.303 7.843 499 HG3 LYS 63 1HG LYS 63 8.754 -11.012 6.875 500 HD2 LYS 63 2HD LYS 63 10.621 -13.064 5.676 501 HD3 LYS 63 1HD LYS 63 8.882 -13.309 5.784 502 HE2 LYS 63 2HE LYS 63 8.467 -11.261 4.485 503 HE3 LYS 63 1HE LYS 63 10.208 -10.954 4.420 504 HZ1 LYS 63 3HZ LYS 63 8.831 -13.325 3.285 505 HZ2 LYS 63 1HZ LYS 63 10.491 -13.010 3.138 506 HZ3 LYS 63 2HZ LYS 63 9.315 -12.012 2.419 507 H LEU 64 H LEU 64 13.084 -11.290 9.556 508 HA LEU 64 HA LEU 64 14.514 -8.700 9.519 509 HB2 LEU 64 2HB LEU 64 14.237 -10.232 11.658 510 HB3 LEU 64 1HB LEU 64 15.490 -11.195 10.912 511 HG LEU 64 HG LEU 64 16.743 -9.739 12.255 512 HD11 LEU 64 1HD1 LEU 64 17.437 -9.593 9.802 513 HD12 LEU 64 2HD1 LEU 64 17.942 -8.277 10.850 514 HD13 LEU 64 3HD1 LEU 64 16.582 -8.040 9.767 515 HD21 LEU 64 3HD2 LEU 64 14.440 -8.195 12.359 516 HD22 LEU 64 1HD2 LEU 64 15.561 -7.160 11.480 517 HD23 LEU 64 2HD2 LEU 64 15.991 -7.760 13.069 518 H ASP 65 H ASP 65 15.888 -8.473 7.811 519 HA ASP 65 HA ASP 65 16.733 -10.930 6.428 520 HB2 ASP 65 2HB ASP 65 15.340 -8.883 5.367 521 HB3 ASP 65 1HB ASP 65 16.958 -8.293 5.088 522 H LYS 66 H LYS 66 18.678 -10.208 4.914 523 HA LYS 66 HA LYS 66 21.031 -10.118 6.480 524 HB2 LYS 66 2HB LYS 66 22.228 -9.804 4.417 525 HB3 LYS 66 1HB LYS 66 20.908 -10.936 4.118 526 HG2 LYS 66 2HG LYS 66 20.233 -8.043 3.649 527 HG3 LYS 66 1HG LYS 66 21.411 -8.746 2.573 528 HD2 LYS 66 2HD LYS 66 19.962 -10.177 1.615 529 HD3 LYS 66 1HD LYS 66 19.029 -10.429 3.075 530 HE2 LYS 66 2HE LYS 66 18.005 -8.181 2.844 531 HE3 LYS 66 1HE LYS 66 18.926 -7.904 1.368 532 HZ1 LYS 66 3HZ LYS 66 16.919 -8.652 0.587 533 HZ2 LYS 66 1HZ LYS 66 16.675 -9.718 1.867 534 HZ3 LYS 66 2HZ LYS 66 17.783 -10.087 0.604 535 H GLU 67 H GLU 67 18.854 -7.708 5.602 536 HA GLU 67 HA GLU 67 20.363 -5.415 5.268 537 HB2 GLU 67 2HB GLU 67 17.665 -5.738 6.637 538 HB3 GLU 67 1HB GLU 67 18.344 -4.239 6.017 539 HG2 GLU 67 2HG GLU 67 17.836 -6.679 4.286 540 HG3 GLU 67 1HG GLU 67 16.733 -5.329 4.421 541 H GLY 68 H GLY 68 19.248 -7.103 8.109 542 HA2 GLY 68 2HA GLY 68 20.138 -7.122 10.266 543 HA3 GLY 68 1HA GLY 68 21.036 -5.641 9.913 544 H ARG 69 H ARG 69 17.905 -5.864 8.661 545 HA ARG 69 HA ARG 69 16.730 -4.237 10.785 546 HB2 ARG 69 2HB ARG 69 16.604 -3.538 7.840 547 HB3 ARG 69 1HB ARG 69 16.048 -2.555 9.193 548 HG2 ARG 69 2HG ARG 69 18.572 -2.897 10.018 549 HG3 ARG 69 1HG ARG 69 18.856 -3.108 8.310 550 HD2 ARG 69 2HD ARG 69 17.299 -0.711 9.280 551 HD3 ARG 69 1HD ARG 69 19.066 -0.855 9.388 552 HE ARG 69 HE ARG 69 18.574 -1.431 6.787 553 HH11 ARG 69 1HH2 ARG 69 17.572 1.197 8.936 554 HH12 ARG 69 2HH2 ARG 69 17.650 2.377 7.707 555 HH21 ARG 69 1HH1 ARG 69 18.688 0.268 5.152 556 HH22 ARG 69 2HH1 ARG 69 18.272 1.866 5.584 557 H THR 70 H THR 70 14.500 -4.353 10.839 558 HA THR 70 HA THR 70 13.422 -6.853 9.831 559 HB THR 70 HB THR 70 11.988 -4.690 11.345 560 HG1 THR 70 1HG THR 70 13.799 -5.388 12.505 561 HG21 THR 70 3HG2 THR 70 11.369 -7.559 10.696 562 HG22 THR 70 1HG2 THR 70 10.370 -6.107 10.579 563 HG23 THR 70 2HG2 THR 70 10.722 -6.804 12.157 564 H HIS 71 H HIS 71 12.282 -7.084 8.015 565 HA HIS 71 HA HIS 71 11.656 -4.740 6.388 566 HB2 HIS 71 2HB HIS 71 12.685 -7.043 5.611 567 HB3 HIS 71 1HB HIS 71 11.001 -7.534 5.572 568 HD1 HIS 71 1HD HIS 71 13.530 -5.805 3.574 569 HD2 HIS 71 2HD HIS 71 9.334 -5.733 3.725 570 HE1 HIS 71 1HE HIS 71 12.722 -4.791 1.410 571 HE2 HIS 71 2HE HIS 71 10.178 -4.792 1.474 572 H HIS 72 H HIS 72 9.708 -3.950 6.047 573 HA HIS 72 HA HIS 72 7.344 -5.235 7.236 574 HB2 HIS 72 2HB HIS 72 8.005 -2.443 6.326 575 HB3 HIS 72 1HB HIS 72 6.337 -2.965 6.310 576 HD1 HIS 72 1HD HIS 72 5.091 -2.870 8.501 577 HD2 HIS 72 2HD HIS 72 9.236 -2.630 8.981 578 HE1 HIS 72 1HE HIS 72 5.505 -2.339 10.945 579 HE2 HIS 72 2HE HIS 72 8.030 -2.183 11.272 580 H TYR 73 H TYR 73 6.484 -6.654 5.786 581 HA TYR 73 HA TYR 73 6.290 -5.810 2.968 582 HB2 TYR 73 2HB TYR 73 6.043 -8.541 4.242 583 HB3 TYR 73 1HB TYR 73 5.627 -8.217 2.574 584 HD1 TYR 73 2HD TYR 73 7.373 -7.354 0.984 585 HD2 TYR 73 1HD TYR 73 8.402 -8.810 4.910 586 HE1 TYR 73 2HE TYR 73 9.723 -7.564 0.289 587 HE2 TYR 73 1HE TYR 73 10.764 -9.013 4.192 588 HH TYR 73 HH TYR 73 12.030 -7.497 1.694 589 H MET 74 H MET 74 4.550 -4.468 3.087 590 HA MET 74 HA MET 74 2.043 -5.686 4.025 591 HB2 MET 74 2HB MET 74 2.633 -4.153 5.747 592 HB3 MET 74 1HB MET 74 3.101 -2.915 4.579 593 HG2 MET 74 2HG MET 74 0.295 -3.887 4.337 594 HG3 MET 74 1HG MET 74 0.623 -2.983 5.786 595 HE1 MET 74 3HE MET 74 1.294 -0.777 6.055 596 HE2 MET 74 1HE MET 74 1.520 0.471 4.817 597 HE3 MET 74 2HE MET 74 2.766 -0.732 5.088 598 H ARG 75 H ARG 75 0.350 -5.463 2.737 599 HA ARG 75 HA ARG 75 0.238 -3.323 0.832 600 HB2 ARG 75 2HB ARG 75 -0.268 -4.713 -1.079 601 HB3 ARG 75 1HB ARG 75 1.328 -5.134 -0.473 602 HG2 ARG 75 2HG ARG 75 0.701 -7.248 0.070 603 HG3 ARG 75 1HG ARG 75 -0.804 -6.739 0.804 604 HD2 ARG 75 2HD ARG 75 -1.426 -8.029 -1.119 605 HD3 ARG 75 1HD ARG 75 -1.721 -6.354 -1.507 606 HE ARG 75 HE ARG 75 0.916 -7.216 -2.294 607 HH11 ARG 75 1HH2 ARG 75 -2.494 -7.146 -3.151 608 HH12 ARG 75 2HH2 ARG 75 -2.210 -7.299 -4.817 609 HH21 ARG 75 1HH1 ARG 75 1.276 -7.424 -4.569 610 HH22 ARG 75 2HH1 ARG 75 -0.069 -7.468 -5.639 611 H PHE 76 H PHE 76 -1.876 -2.913 0.167 612 HA PHE 76 HA PHE 76 -3.987 -4.590 1.187 613 HB2 PHE 76 2HB PHE 76 -5.098 -2.762 2.460 614 HB3 PHE 76 1HB PHE 76 -3.583 -3.334 3.159 615 HD1 PHE 76 1HD PHE 76 -5.236 -0.500 1.391 616 HD2 PHE 76 2HD PHE 76 -1.586 -1.939 3.176 617 HE1 PHE 76 1HE PHE 76 -4.306 1.793 1.371 618 HE2 PHE 76 2HE PHE 76 -0.675 0.349 3.141 619 HZ PHE 76 HZ PHE 76 -2.032 2.219 2.244 620 H HIS 77 H HIS 77 -6.124 -3.902 0.585 621 HA HIS 77 HA HIS 77 -6.049 -2.587 -2.033 622 HB2 HIS 77 2HB HIS 77 -7.610 -4.811 -0.914 623 HB3 HIS 77 1HB HIS 77 -8.590 -3.644 -1.772 624 HD1 HIS 77 1HD HIS 77 -7.287 -2.831 -4.131 625 HD2 HIS 77 2HD HIS 77 -6.587 -6.690 -2.738 626 HE1 HIS 77 1HE HIS 77 -6.458 -4.217 -6.121 627 HE2 HIS 77 2HE HIS 77 -6.033 -6.552 -5.250 628 H VAL 78 H VAL 78 -7.360 -0.886 -2.497 629 HA VAL 78 HA VAL 78 -8.970 0.211 -0.309 630 HB VAL 78 HB VAL 78 -6.940 1.516 -0.272 631 HG11 VAL 78 1HG1 VAL 78 -7.302 1.896 -3.252 632 HG12 VAL 78 2HG1 VAL 78 -6.065 0.897 -2.488 633 HG13 VAL 78 3HG1 VAL 78 -6.062 2.650 -2.257 634 HG21 VAL 78 3HG2 VAL 78 -8.893 3.170 -1.916 635 HG22 VAL 78 1HG2 VAL 78 -7.801 3.724 -0.657 636 HG23 VAL 78 2HG2 VAL 78 -9.202 2.756 -0.232 637 H GLU 79 H GLU 79 -10.788 1.374 -1.002 638 HA GLU 79 HA GLU 79 -11.566 0.614 -3.718 639 HB2 GLU 79 2HB GLU 79 -13.198 1.224 -1.268 640 HB3 GLU 79 1HB GLU 79 -13.912 1.014 -2.865 641 HG2 GLU 79 2HG GLU 79 -13.000 -1.181 -3.083 642 HG3 GLU 79 1HG GLU 79 -12.083 -1.087 -1.610 643 H SER 80 H SER 80 -11.702 1.948 -5.241 644 HA SER 80 HA SER 80 -11.620 4.852 -4.851 645 HB2 SER 80 2HB SER 80 -11.690 3.325 -7.462 646 HB3 SER 80 1HB SER 80 -11.075 4.917 -7.180 647 HG SER 80 HG SER 80 -10.031 2.611 -5.902 648 H LYS 81 H LYS 81 -13.037 6.001 -6.543 649 HA LYS 81 HA LYS 81 -15.699 5.661 -5.645 650 HB2 LYS 81 2HB LYS 81 -14.905 7.109 -8.197 651 HB3 LYS 81 1HB LYS 81 -16.315 7.342 -7.163 652 HG2 LYS 81 2HG LYS 81 -13.466 7.899 -6.329 653 HG3 LYS 81 1HG LYS 81 -14.759 9.050 -6.766 654 HD2 LYS 81 2HD LYS 81 -16.144 7.921 -4.947 655 HD3 LYS 81 1HD LYS 81 -14.642 7.208 -4.402 656 HE2 LYS 81 2HE LYS 81 -15.629 9.750 -3.771 657 HE3 LYS 81 1HE LYS 81 -14.065 9.066 -3.334 658 HZ1 LYS 81 3HZ LYS 81 -13.430 9.999 -5.744 659 HZ2 LYS 81 1HZ LYS 81 -13.652 11.057 -4.397 660 HZ3 LYS 81 2HZ LYS 81 -14.899 10.823 -5.514 661 H LYS 82 H LYS 82 -14.020 4.557 -8.518 662 HA LYS 82 HA LYS 82 -16.483 3.160 -9.401 663 HB2 LYS 82 2HB LYS 82 -14.213 3.987 -11.209 664 HB3 LYS 82 1HB LYS 82 -15.853 3.547 -11.645 665 HG2 LYS 82 2HG LYS 82 -15.075 6.057 -10.099 666 HG3 LYS 82 1HG LYS 82 -15.514 5.999 -11.794 667 HD2 LYS 82 2HD LYS 82 -17.752 5.193 -11.246 668 HD3 LYS 82 1HD LYS 82 -17.369 5.164 -9.524 669 HE2 LYS 82 2HE LYS 82 -16.995 7.650 -9.626 670 HE3 LYS 82 1HE LYS 82 -17.456 7.619 -11.320 671 HZ1 LYS 82 3HZ LYS 82 -19.370 6.336 -9.565 672 HZ2 LYS 82 1HZ LYS 82 -19.644 7.485 -10.763 673 HZ3 LYS 82 2HZ LYS 82 -19.139 7.962 -9.239 674 H LYS 83 H LYS 83 -13.198 2.809 -8.459 675 HA LYS 83 HA LYS 83 -13.168 -0.034 -9.292 676 HB2 LYS 83 2HB LYS 83 -10.883 1.946 -9.515 677 HB3 LYS 83 1HB LYS 83 -10.806 0.201 -9.777 678 HG2 LYS 83 2HG LYS 83 -12.692 1.991 -11.347 679 HG3 LYS 83 1HG LYS 83 -11.071 1.606 -11.900 680 HD2 LYS 83 2HD LYS 83 -11.581 -0.789 -11.819 681 HD3 LYS 83 1HD LYS 83 -13.221 -0.454 -11.264 682 HE2 LYS 83 2HE LYS 83 -13.693 0.772 -13.349 683 HE3 LYS 83 1HE LYS 83 -12.049 0.525 -13.903 684 HZ1 LYS 83 3HZ LYS 83 -13.976 -1.066 -14.598 685 HZ2 LYS 83 1HZ LYS 83 -13.587 -1.883 -13.168 686 HZ3 LYS 83 2HZ LYS 83 -12.423 -1.615 -14.388 687 H ILE 84 H ILE 84 -11.584 -1.330 -8.169 688 HA ILE 84 HA ILE 84 -11.155 -0.476 -5.369 689 HB ILE 84 HB ILE 84 -11.176 -3.266 -6.579 690 HG12 ILE 84 2HG1 ILE 84 -13.275 -2.039 -4.766 691 HG13 ILE 84 1HG1 ILE 84 -13.410 -1.950 -6.518 692 HG21 ILE 84 1HG2 ILE 84 -11.521 -3.741 -4.015 693 HG22 ILE 84 2HG2 ILE 84 -10.765 -2.178 -3.799 694 HG23 ILE 84 3HG2 ILE 84 -9.897 -3.474 -4.631 695 HD11 ILE 84 3HD1 ILE 84 -14.595 -3.873 -5.448 696 HD12 ILE 84 1HD1 ILE 84 -13.001 -4.543 -5.040 697 HD13 ILE 84 2HD1 ILE 84 -13.463 -4.262 -6.741 698 H ALA 85 H ALA 85 -9.061 0.011 -4.913 699 HA ALA 85 HA ALA 85 -7.018 -0.741 -6.907 700 HB1 ALA 85 1HB ALA 85 -6.681 1.471 -6.982 701 HB2 ALA 85 2HB ALA 85 -5.929 1.314 -5.402 702 HB3 ALA 85 3HB ALA 85 -7.629 1.755 -5.527 703 H LEU 86 H LEU 86 -4.845 -1.033 -6.193 704 HA LEU 86 HA LEU 86 -4.657 -2.438 -3.600 705 HB2 LEU 86 2HB LEU 86 -4.312 -4.012 -5.313 706 HB3 LEU 86 1HB LEU 86 -3.411 -2.870 -6.289 707 HG LEU 86 HG LEU 86 -1.581 -2.917 -4.537 708 HD11 LEU 86 1HD1 LEU 86 -1.637 -4.824 -2.980 709 HD12 LEU 86 2HD1 LEU 86 -3.353 -5.065 -3.373 710 HD13 LEU 86 3HD1 LEU 86 -2.810 -3.570 -2.603 711 HD21 LEU 86 3HD2 LEU 86 -0.755 -5.149 -5.147 712 HD22 LEU 86 1HD2 LEU 86 -1.436 -4.321 -6.540 713 HD23 LEU 86 2HD2 LEU 86 -2.363 -5.590 -5.748 714 H VAL 87 H VAL 87 -3.194 -1.728 -2.138 715 HA VAL 87 HA VAL 87 -1.131 0.185 -3.049 716 HB VAL 87 HB VAL 87 -2.591 0.018 -0.404 717 HG11 VAL 87 1HG1 VAL 87 -0.417 0.594 0.220 718 HG12 VAL 87 2HG1 VAL 87 -1.200 2.162 0.041 719 HG13 VAL 87 3HG1 VAL 87 -0.144 1.554 -1.235 720 HG21 VAL 87 3HG2 VAL 87 -3.253 1.426 -2.773 721 HG22 VAL 87 1HG2 VAL 87 -2.562 2.639 -1.699 722 HG23 VAL 87 2HG2 VAL 87 -3.931 1.688 -1.175 723 H HIS 88 H HIS 88 0.909 -0.531 -2.746 724 HA HIS 88 HA HIS 88 1.384 -2.716 -0.807 725 HB2 HIS 88 2HB HIS 88 1.430 -3.788 -2.961 726 HB3 HIS 88 1HB HIS 88 2.354 -2.464 -3.659 727 HD1 HIS 88 1HD HIS 88 4.105 -4.363 -4.400 728 HD2 HIS 88 2HD HIS 88 3.819 -3.759 -0.262 729 HE1 HIS 88 1HE HIS 88 6.135 -5.454 -3.352 730 HE2 HIS 88 2HE HIS 88 6.006 -5.113 -0.883 731 H LEU 89 H LEU 89 2.799 -2.126 0.707 732 HA LEU 89 HA LEU 89 4.871 -0.175 -0.017 733 HB2 LEU 89 2HB LEU 89 3.132 1.035 1.159 734 HB3 LEU 89 1HB LEU 89 3.171 -0.132 2.477 735 HG LEU 89 HG LEU 89 5.784 1.149 1.742 736 HD11 LEU 89 1HD1 LEU 89 3.645 2.865 2.087 737 HD12 LEU 89 2HD1 LEU 89 5.331 3.238 2.407 738 HD13 LEU 89 3HD1 LEU 89 4.293 2.716 3.720 739 HD21 LEU 89 3HD2 LEU 89 5.070 1.114 4.554 740 HD22 LEU 89 1HD2 LEU 89 6.355 0.248 3.728 741 HD23 LEU 89 2HD2 LEU 89 4.753 -0.463 3.849 742 H GLU 90 H GLU 90 6.827 -0.696 0.565 743 HA GLU 90 HA GLU 90 7.152 -2.682 2.688 744 HB2 GLU 90 2HB GLU 90 8.648 -2.406 0.128 745 HB3 GLU 90 1HB GLU 90 9.374 -3.217 1.506 746 HG2 GLU 90 2HG GLU 90 7.489 -4.743 1.641 747 HG3 GLU 90 1HG GLU 90 6.658 -3.951 0.327 748 H ALA 91 H ALA 91 8.566 -2.326 4.227 749 HA ALA 91 HA ALA 91 10.400 -0.120 4.040 750 HB1 ALA 91 1HB ALA 91 8.509 -0.189 6.390 751 HB2 ALA 91 2HB ALA 91 8.176 0.782 4.961 752 HB3 ALA 91 3HB ALA 91 9.608 1.106 5.930 753 H LYS 92 H LYS 92 11.975 -0.147 5.831 754 HA LYS 92 HA LYS 92 11.904 -2.698 7.229 755 HB2 LYS 92 2HB LYS 92 14.386 -2.982 6.960 756 HB3 LYS 92 1HB LYS 92 13.423 -3.189 5.501 757 HG2 LYS 92 2HG LYS 92 13.951 -0.801 4.887 758 HG3 LYS 92 1HG LYS 92 15.045 -0.743 6.267 759 HD2 LYS 92 2HD LYS 92 16.419 -2.507 5.389 760 HD3 LYS 92 1HD LYS 92 15.289 -2.853 4.089 761 HE2 LYS 92 2HE LYS 92 15.681 -0.505 3.236 762 HE3 LYS 92 1HE LYS 92 16.938 -0.340 4.456 763 HZ1 LYS 92 3HZ LYS 92 18.127 -1.063 2.646 764 HZ2 LYS 92 1HZ LYS 92 16.930 -2.027 2.034 765 HZ3 LYS 92 2HZ LYS 92 17.843 -2.562 3.329 766 H GLU 93 H GLU 93 12.428 -2.785 9.273 767 HA GLU 93 HA GLU 93 12.781 -0.255 10.705 768 HB2 GLU 93 2HB GLU 93 12.539 -3.019 11.931 769 HB3 GLU 93 1HB GLU 93 12.223 -1.478 12.658 770 HG2 GLU 93 2HG GLU 93 10.317 -1.051 11.201 771 HG3 GLU 93 1HG GLU 93 10.619 -2.572 10.340 772 H SER 94 H SER 94 14.735 0.451 11.194 773 HA SER 94 HA SER 94 17.068 -1.259 11.166 774 HB2 SER 94 2HB SER 94 16.857 1.567 12.231 775 HB3 SER 94 1HB SER 94 18.308 0.728 11.747 776 HG SER 94 HG SER 94 16.188 1.749 10.204 777 H LYS 95 H LYS 95 18.509 -1.343 13.101 778 HA LYS 95 HA LYS 95 17.132 -2.691 15.150 779 HB2 LYS 95 2HB LYS 95 19.871 -1.425 15.184 780 HB3 LYS 95 1HB LYS 95 19.305 -2.547 16.387 781 HG2 LYS 95 2HG LYS 95 20.140 -3.033 13.556 782 HG3 LYS 95 1HG LYS 95 20.458 -3.953 15.020 783 HD2 LYS 95 2HD LYS 95 17.746 -3.883 13.579 784 HD3 LYS 95 1HD LYS 95 18.930 -5.145 13.425 785 HE2 LYS 95 2HE LYS 95 17.609 -4.384 16.039 786 HE3 LYS 95 1HE LYS 95 17.234 -5.798 15.057 787 HZ1 LYS 95 3HZ LYS 95 19.082 -5.680 17.051 788 HZ2 LYS 95 1HZ LYS 95 20.056 -5.623 15.667 789 HZ3 LYS 95 2HZ LYS 95 18.972 -6.874 15.861 790 H GLN 96 H GLN 96 18.435 0.520 14.982 791 HA GLN 96 HA GLN 96 17.517 1.143 17.678 792 HB2 GLN 96 2HB GLN 96 19.127 2.793 15.743 793 HB3 GLN 96 1HB GLN 96 18.954 3.071 17.476 794 HG2 GLN 96 2HG GLN 96 20.392 1.342 18.036 795 HG3 GLN 96 1HG GLN 96 19.931 0.346 16.683 796 HE21 GLN 96 1HE2 GLN 96 21.823 -0.008 15.588 797 HE22 GLN 96 2HE2 GLN 96 22.891 1.203 15.067 798 H ASN 97 H ASN 97 16.939 2.088 14.354 799 HA ASN 97 HA ASN 97 15.472 4.418 14.875 800 HB2 ASN 97 2HB ASN 97 16.323 3.674 12.577 801 HB3 ASN 97 1HB ASN 97 14.888 2.633 12.567 802 HD21 ASN 97 1HD2 ASN 97 15.431 5.014 10.796 803 HD22 ASN 97 2HD2 ASN 97 14.110 6.044 11.067 804 H TYR 98 H TYR 98 13.495 4.840 15.357 805 HA TYR 98 HA TYR 98 11.759 2.949 16.569 806 HB2 TYR 98 2HB TYR 98 11.272 5.773 15.641 807 HB3 TYR 98 1HB TYR 98 10.246 4.876 16.759 808 HD1 TYR 98 1HD TYR 98 13.534 6.465 16.288 809 HD2 TYR 98 2HD TYR 98 10.975 4.405 19.057 810 HE1 TYR 98 1HE TYR 98 15.038 7.095 18.143 811 HE2 TYR 98 2HE TYR 98 12.486 5.033 20.916 812 HH TYR 98 HH TYR 98 15.601 6.335 20.335 813 H GLN 99 H GLN 99 11.874 4.562 13.430 814 HA GLN 99 HA GLN 99 9.448 3.093 12.593 815 HB2 GLN 99 2HB GLN 99 10.514 5.625 11.349 816 HB3 GLN 99 1HB GLN 99 8.946 4.873 11.100 817 HG2 GLN 99 2HG GLN 99 9.547 5.514 13.946 818 HG3 GLN 99 1HG GLN 99 9.407 6.896 12.877 819 HE21 GLN 99 1HE2 GLN 99 7.631 3.770 13.364 820 HE22 GLN 99 2HE2 GLN 99 6.114 4.501 13.246 821 HA PRO 100 HA PRO 100 11.956 1.069 9.555 822 HB2 PRO 100 2HB PRO 100 10.091 0.274 7.825 823 HB3 PRO 100 1HB PRO 100 10.251 -0.483 9.404 824 HG2 PRO 100 2HG PRO 100 8.325 1.629 8.538 825 HG3 PRO 100 1HG PRO 100 8.035 0.182 9.537 826 HD2 PRO 100 2HD PRO 100 8.318 2.637 10.632 827 HD3 PRO 100 1HD PRO 100 8.866 1.167 11.465 828 H ASP 101 H ASP 101 12.759 1.396 7.475 829 HA ASP 101 HA ASP 101 12.362 4.030 6.255 830 HB2 ASP 101 2HB ASP 101 14.662 2.741 6.385 831 HB3 ASP 101 1HB ASP 101 13.951 1.733 5.171 832 H PHE 102 H PHE 102 10.689 4.307 4.773 833 HA PHE 102 HA PHE 102 9.268 2.089 3.636 834 HB2 PHE 102 2HB PHE 102 9.411 4.976 2.719 835 HB3 PHE 102 1HB PHE 102 8.282 3.775 2.133 836 HD1 PHE 102 1HD PHE 102 6.870 2.541 3.986 837 HD2 PHE 102 2HD PHE 102 8.776 6.350 4.513 838 HE1 PHE 102 1HE PHE 102 5.300 3.064 5.795 839 HE2 PHE 102 2HE PHE 102 7.201 6.887 6.352 840 HZ PHE 102 HZ PHE 102 5.461 5.271 7.003 841 H ILE 103 H ILE 103 10.658 0.753 2.564 842 HA ILE 103 HA ILE 103 12.715 1.693 0.862 843 HB ILE 103 HB ILE 103 11.461 -1.043 1.056 844 HG12 ILE 103 2HG1 ILE 103 14.141 -0.019 2.019 845 HG13 ILE 103 1HG1 ILE 103 12.732 -0.105 3.076 846 HG21 ILE 103 1HG2 ILE 103 13.957 -1.399 0.010 847 HG22 ILE 103 2HG2 ILE 103 13.573 0.171 -0.673 848 HG23 ILE 103 3HG2 ILE 103 12.520 -1.211 -0.998 849 HD11 ILE 103 3HD1 ILE 103 14.509 -2.223 2.241 850 HD12 ILE 103 1HD1 ILE 103 12.857 -2.614 1.799 851 HD13 ILE 103 2HD1 ILE 103 13.241 -2.269 3.474 852 H ASN 104 H ASN 104 9.497 0.363 0.271 853 HA ASN 104 HA ASN 104 9.512 1.541 -2.412 854 HB2 ASN 104 2HB ASN 104 10.607 -0.619 -2.647 855 HB3 ASN 104 1HB ASN 104 9.215 -1.435 -1.917 856 HD21 ASN 104 1HD2 ASN 104 10.309 0.415 -4.726 857 HD22 ASN 104 2HD2 ASN 104 9.069 -0.092 -5.772 858 H MET 105 H MET 105 7.467 2.395 -2.709 859 HA MET 105 HA MET 105 5.208 0.867 -1.765 860 HB2 MET 105 2HB MET 105 4.594 2.173 -0.055 861 HB3 MET 105 1HB MET 105 6.130 3.015 -0.194 862 HG2 MET 105 2HG MET 105 4.382 4.666 -0.254 863 HG3 MET 105 1HG MET 105 5.027 4.551 -1.878 864 HE1 MET 105 3HE MET 105 2.444 2.742 0.463 865 HE2 MET 105 1HE MET 105 0.937 3.269 -0.289 866 HE3 MET 105 2HE MET 105 2.044 4.452 0.383 867 H TYR 106 H TYR 106 3.620 0.797 -3.173 868 HA TYR 106 HA TYR 106 3.201 3.017 -4.990 869 HB2 TYR 106 2HB TYR 106 3.313 1.639 -7.023 870 HB3 TYR 106 1HB TYR 106 4.855 1.687 -6.176 871 HD1 TYR 106 2HD TYR 106 5.693 -0.263 -4.930 872 HD2 TYR 106 1HD TYR 106 1.999 -0.414 -7.135 873 HE1 TYR 106 2HE TYR 106 5.714 -2.712 -4.801 874 HE2 TYR 106 1HE TYR 106 2.025 -2.867 -7.006 875 HH TYR 106 HH TYR 106 3.765 -4.639 -6.723 876 H VAL 107 H VAL 107 1.307 2.757 -6.323 877 HA VAL 107 HA VAL 107 -0.760 1.133 -4.952 878 HB VAL 107 HB VAL 107 -0.906 3.897 -6.163 879 HG11 VAL 107 1HG1 VAL 107 -3.339 3.685 -5.203 880 HG12 VAL 107 2HG1 VAL 107 -3.091 1.956 -5.458 881 HG13 VAL 107 3HG1 VAL 107 -2.965 3.086 -6.813 882 HG21 VAL 107 3HG2 VAL 107 -0.074 3.985 -3.929 883 HG22 VAL 107 1HG2 VAL 107 -1.218 2.758 -3.381 884 HG23 VAL 107 2HG2 VAL 107 -1.795 4.365 -3.813 885 H ASP 108 H ASP 108 -1.741 -0.303 -6.194 886 HA ASP 108 HA ASP 108 -1.472 -0.094 -9.132 887 HB2 ASP 108 2HB ASP 108 -0.592 -2.215 -7.786 888 HB3 ASP 108 1HB ASP 108 -2.268 -2.586 -7.685 889 H VAL 109 H VAL 109 -3.219 0.795 -9.999 890 HA VAL 109 HA VAL 109 -5.843 0.129 -8.861 891 HB VAL 109 HB VAL 109 -5.219 2.457 -10.697 892 HG11 VAL 109 1HG1 VAL 109 -7.584 1.754 -10.607 893 HG12 VAL 109 2HG1 VAL 109 -7.331 3.332 -9.885 894 HG13 VAL 109 3HG1 VAL 109 -7.572 1.933 -8.849 895 HG21 VAL 109 3HG2 VAL 109 -5.689 3.490 -8.165 896 HG22 VAL 109 1HG2 VAL 109 -4.112 3.320 -8.920 897 HG23 VAL 109 2HG2 VAL 109 -4.699 2.083 -7.812 898 HA PRO 110 HA PRO 110 -6.493 -2.535 -12.316 899 HB2 PRO 110 2HB PRO 110 -9.338 -1.661 -12.123 900 HB3 PRO 110 1HB PRO 110 -8.635 -3.293 -12.138 901 HG2 PRO 110 2HG PRO 110 -9.521 -2.271 -9.891 902 HG3 PRO 110 1HG PRO 110 -8.021 -3.206 -9.906 903 HD2 PRO 110 2HD PRO 110 -8.362 -0.248 -9.698 904 HD3 PRO 110 1HD PRO 110 -7.161 -1.337 -8.948 905 H GLY 111 H GLY 111 -6.343 -2.199 -14.476 906 HA2 GLY 111 2HA GLY 111 -6.613 -1.277 -16.576 907 HA3 GLY 111 1HA GLY 111 -7.898 -0.273 -15.916 908 H GLU 112 H GLU 112 -5.385 0.255 -13.879 909 HA GLU 112 HA GLU 112 -4.378 2.552 -15.433 910 HB2 GLU 112 2HB GLU 112 -4.702 2.253 -12.460 911 HB3 GLU 112 1HB GLU 112 -4.080 3.679 -13.266 912 HG2 GLU 112 2HG GLU 112 -6.859 2.538 -13.652 913 HG3 GLU 112 1HG GLU 112 -6.498 3.930 -12.659 914 H LYS 113 H LYS 113 -2.130 3.180 -14.789 915 HA LYS 113 HA LYS 113 -0.467 0.831 -14.505 916 HB2 LYS 113 2HB LYS 113 0.114 3.747 -14.996 917 HB3 LYS 113 1HB LYS 113 1.366 2.681 -14.356 918 HG2 LYS 113 2HG LYS 113 1.497 2.715 -16.797 919 HG3 LYS 113 1HG LYS 113 1.049 1.112 -16.228 920 HD2 LYS 113 2HD LYS 113 -1.317 1.574 -16.687 921 HD3 LYS 113 1HD LYS 113 -0.923 3.199 -17.246 922 HE2 LYS 113 2HE LYS 113 0.178 0.647 -18.437 923 HE3 LYS 113 1HE LYS 113 -1.218 1.527 -19.060 924 HZ1 LYS 113 3HZ LYS 113 0.380 3.530 -19.131 925 HZ2 LYS 113 1HZ LYS 113 0.558 2.323 -20.293 926 HZ3 LYS 113 2HZ LYS 113 1.620 2.387 -18.979 927 H ARG 114 H ARG 114 0.717 0.295 -12.727 928 HA ARG 114 HA ARG 114 -0.104 1.034 -10.156 929 HB2 ARG 114 2HB ARG 114 2.113 0.007 -9.437 930 HB3 ARG 114 1HB ARG 114 1.044 -1.034 -10.377 931 HG2 ARG 114 2HG ARG 114 2.435 0.000 -12.456 932 HG3 ARG 114 1HG ARG 114 3.598 0.305 -11.207 933 HD2 ARG 114 2HD ARG 114 2.364 -2.414 -11.415 934 HD3 ARG 114 1HD ARG 114 3.657 -1.906 -12.494 935 HE ARG 114 HE ARG 114 4.610 -1.274 -9.992 936 HH11 ARG 114 1HH2 ARG 114 3.272 -4.187 -11.396 937 HH12 ARG 114 2HH2 ARG 114 4.315 -5.232 -10.537 938 HH21 ARG 114 1HH1 ARG 114 5.966 -2.645 -8.858 939 HH22 ARG 114 2HH1 ARG 114 5.885 -4.354 -9.044 940 H TYR 115 H TYR 115 0.306 2.794 -8.991 941 HA TYR 115 HA TYR 115 2.232 4.758 -10.012 942 HB2 TYR 115 2HB TYR 115 -0.085 5.464 -9.522 943 HB3 TYR 115 1HB TYR 115 0.152 5.036 -7.831 944 HD1 TYR 115 1HD TYR 115 1.081 7.383 -10.514 945 HD2 TYR 115 2HD TYR 115 1.593 6.384 -6.369 946 HE1 TYR 115 1HE TYR 115 2.096 9.589 -10.109 947 HE2 TYR 115 2HE TYR 115 2.614 8.598 -5.967 948 HH TYR 115 HH TYR 115 3.385 10.773 -8.633 949 H TYR 116 H TYR 116 4.195 4.944 -9.062 950 HA TYR 116 HA TYR 116 4.643 3.669 -6.450 951 HB2 TYR 116 2HB TYR 116 6.502 4.696 -8.580 952 HB3 TYR 116 1HB TYR 116 7.067 4.357 -6.954 953 HD1 TYR 116 1HD TYR 116 5.337 2.801 -9.879 954 HD2 TYR 116 2HD TYR 116 7.480 2.147 -6.215 955 HE1 TYR 116 1HE TYR 116 5.506 0.406 -10.414 956 HE2 TYR 116 2HE TYR 116 7.634 -0.267 -6.744 957 HH TYR 116 HH TYR 116 7.606 -1.657 -8.688 958 H LEU 117 H LEU 117 3.849 4.935 -4.963 959 HA LEU 117 HA LEU 117 4.072 7.760 -4.837 960 HB2 LEU 117 2HB LEU 117 2.371 6.530 -3.579 961 HB3 LEU 117 1HB LEU 117 3.621 5.711 -2.662 962 HG LEU 117 HG LEU 117 4.375 7.873 -1.722 963 HD11 LEU 117 1HD1 LEU 117 2.697 9.789 -2.104 964 HD12 LEU 117 2HD1 LEU 117 2.281 8.950 -3.596 965 HD13 LEU 117 3HD1 LEU 117 3.942 9.509 -3.313 966 HD21 LEU 117 3HD2 LEU 117 2.906 7.347 -0.141 967 HD22 LEU 117 1HD2 LEU 117 1.776 6.637 -1.292 968 HD23 LEU 117 2HD2 LEU 117 1.708 8.363 -0.962 969 H ILE 118 H ILE 118 5.971 5.088 -3.526 970 HA ILE 118 HA ILE 118 8.128 7.017 -2.917 971 HB ILE 118 HB ILE 118 7.438 4.452 -1.460 972 HG12 ILE 118 2HG1 ILE 118 7.418 7.331 -0.492 973 HG13 ILE 118 1HG1 ILE 118 5.969 6.458 -0.968 974 HG21 ILE 118 1HG2 ILE 118 9.270 5.176 0.090 975 HG22 ILE 118 2HG2 ILE 118 9.673 6.461 -1.035 976 HG23 ILE 118 3HG2 ILE 118 9.873 4.779 -1.518 977 HD11 ILE 118 3HD1 ILE 118 5.905 5.925 1.258 978 HD12 ILE 118 1HD1 ILE 118 7.637 6.160 1.454 979 HD13 ILE 118 2HD1 ILE 118 7.025 4.660 0.764 980 H LYS 119 H LYS 119 9.896 6.687 -4.054 981 HA LYS 119 HA LYS 119 10.061 4.421 -5.824 982 HB2 LYS 119 2HB LYS 119 12.106 6.602 -5.471 983 HB3 LYS 119 1HB LYS 119 11.897 5.562 -6.870 984 HG2 LYS 119 2HG LYS 119 9.827 7.577 -5.895 985 HG3 LYS 119 1HG LYS 119 10.928 7.825 -7.241 986 HD2 LYS 119 2HD LYS 119 9.995 5.823 -8.385 987 HD3 LYS 119 1HD LYS 119 8.814 5.634 -7.092 988 HE2 LYS 119 2HE LYS 119 9.088 8.093 -8.855 989 HE3 LYS 119 1HE LYS 119 7.873 6.841 -9.048 990 HZ1 LYS 119 3HZ LYS 119 7.192 8.877 -7.743 991 HZ2 LYS 119 1HZ LYS 119 8.169 8.375 -6.498 992 HZ3 LYS 119 2HZ LYS 119 6.829 7.454 -7.005 993 HA PRO 120 HA PRO 120 12.547 2.115 -3.065 994 HB2 PRO 120 2HB PRO 120 13.647 0.330 -4.778 995 HB3 PRO 120 1HB PRO 120 12.019 0.173 -4.100 996 HG2 PRO 120 2HG PRO 120 12.842 1.232 -6.766 997 HG3 PRO 120 1HG PRO 120 11.429 0.245 -6.351 998 HD2 PRO 120 2HD PRO 120 11.162 2.865 -6.791 999 HD3 PRO 120 1HD PRO 120 10.210 2.090 -5.516 1000 H LYS 121 H LYS 121 14.635 1.503 -2.457 1001 HA LYS 121 HA LYS 121 16.526 3.558 -2.906 1002 HB2 LYS 121 2HB LYS 121 17.481 0.927 -1.836 1003 HB3 LYS 121 1HB LYS 121 17.813 2.547 -1.262 1004 HG2 LYS 121 2HG LYS 121 15.415 0.814 -0.783 1005 HG3 LYS 121 1HG LYS 121 16.453 1.557 0.424 1006 HD2 LYS 121 2HD LYS 121 15.399 3.768 -0.986 1007 HD3 LYS 121 1HD LYS 121 14.098 2.646 -0.975 1008 HE2 LYS 121 2HE LYS 121 13.688 3.747 1.025 1009 HE3 LYS 121 1HE LYS 121 14.556 2.317 1.577 1010 HZ1 LYS 121 3HZ LYS 121 16.633 3.812 1.355 1011 HZ2 LYS 121 1HZ LYS 121 15.595 4.079 2.663 1012 HZ3 LYS 121 2HZ LYS 121 15.522 5.098 1.334 1013 H LEU 122 H LEU 122 16.095 3.084 -5.311 1014 HA LEU 122 HA LEU 122 17.274 0.926 -6.598 1015 HB2 LEU 122 2HB LEU 122 16.700 3.726 -7.582 1016 HB3 LEU 122 1HB LEU 122 17.208 2.406 -8.629 1017 HG LEU 122 HG LEU 122 14.769 2.229 -6.823 1018 HD11 LEU 122 1HD1 LEU 122 13.612 2.369 -9.169 1019 HD12 LEU 122 2HD1 LEU 122 15.072 3.245 -9.624 1020 HD13 LEU 122 3HD1 LEU 122 14.058 3.835 -8.310 1021 HD21 LEU 122 3HD2 LEU 122 14.404 0.467 -8.876 1022 HD22 LEU 122 1HD2 LEU 122 15.136 0.030 -7.341 1023 HD23 LEU 122 2HD2 LEU 122 16.157 0.397 -8.727 1024 H HIS 123 H HIS 123 18.549 4.073 -5.717 1025 HA HIS 123 HA HIS 123 21.264 3.096 -5.995 1026 HB2 HIS 123 2HB HIS 123 21.725 5.320 -7.379 1027 HB3 HIS 123 1HB HIS 123 21.240 3.820 -8.163 1028 HD1 HIS 123 1HD HIS 123 19.148 3.898 -9.541 1029 HD2 HIS 123 2HD HIS 123 19.363 7.108 -6.878 1030 HE1 HIS 123 1HE HIS 123 17.156 5.412 -10.041 1031 HE2 HIS 123 2HE HIS 123 17.304 7.376 -8.433 1032 HA PRO 124 HA PRO 124 21.024 5.854 -2.311 1033 HB2 PRO 124 2HB PRO 124 23.788 4.742 -2.109 1034 HB3 PRO 124 1HB PRO 124 22.553 4.927 -0.854 1035 HG2 PRO 124 2HG PRO 124 23.013 2.550 -1.833 1036 HG3 PRO 124 1HG PRO 124 21.338 3.065 -1.565 1037 HD2 PRO 124 2HD PRO 124 22.843 2.885 -4.151 1038 HD3 PRO 124 1HD PRO 124 21.137 2.497 -3.820 1039 H VAL 125 H VAL 125 23.774 5.415 -4.475 1040 HA VAL 125 HA VAL 125 23.952 8.319 -4.875 1041 HB VAL 125 HB VAL 125 26.457 6.606 -4.677 1042 HG11 VAL 125 1HG1 VAL 125 25.988 9.603 -4.610 1043 HG12 VAL 125 2HG1 VAL 125 26.660 8.708 -5.970 1044 HG13 VAL 125 3HG1 VAL 125 27.548 8.812 -4.455 1045 HG21 VAL 125 3HG2 VAL 125 26.785 7.727 -2.452 1046 HG22 VAL 125 1HG2 VAL 125 25.456 6.575 -2.472 1047 HG23 VAL 125 2HG2 VAL 125 25.122 8.306 -2.542 1048 H SER 126 H SER 126 26.399 6.392 -6.354 1049 HA SER 126 HA SER 126 25.390 6.740 -8.985 1050 HB2 SER 126 2HB SER 126 27.316 4.617 -8.016 1051 HB3 SER 126 1HB SER 126 27.123 5.216 -9.645 1052 HG SER 126 HG SER 126 28.700 6.178 -7.711 1053 H ASN 127 H ASN 127 25.373 4.128 -6.634 1054 HA ASN 127 HA ASN 127 22.911 3.157 -6.989 1055 HB2 ASN 127 2HB ASN 127 23.330 1.036 -8.333 1056 HB3 ASN 127 1HB ASN 127 23.182 2.508 -9.267 1057 HD21 ASN 127 1HD2 ASN 127 26.133 2.050 -7.434 1058 HD22 ASN 127 2HD2 ASN 127 27.133 1.673 -8.750 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -5.908 -3.356 23.814 2 HA2 GLY 1 2HA GLY 1 -4.841 -1.069 23.607 3 HA3 GLY 1 1HA GLY 1 -3.411 -1.844 24.280 4 H ALA 2 H ALA 2 -3.303 -0.636 21.808 5 HA ALA 2 HA ALA 2 -3.763 -2.463 19.665 6 HB1 ALA 2 1HB ALA 2 -1.983 -0.013 19.802 7 HB2 ALA 2 2HB ALA 2 -3.642 -0.070 19.224 8 HB3 ALA 2 3HB ALA 2 -2.370 -0.900 18.328 9 H MET 3 H MET 3 -2.821 -4.400 20.296 10 HA MET 3 HA MET 3 -0.128 -4.685 21.139 11 HB2 MET 3 2HB MET 3 -1.991 -6.686 19.838 12 HB3 MET 3 1HB MET 3 -0.421 -7.093 20.532 13 HG2 MET 3 2HG MET 3 -2.744 -5.841 22.039 14 HG3 MET 3 1HG MET 3 -2.231 -7.516 22.143 15 HE1 MET 3 3HE MET 3 -0.868 -4.143 24.630 16 HE2 MET 3 1HE MET 3 -2.416 -4.580 23.899 17 HE3 MET 3 2HE MET 3 -1.199 -3.735 22.957 18 H GLY 4 H GLY 4 0.935 -3.289 19.717 19 HA2 GLY 4 2HA GLY 4 2.614 -3.246 18.051 20 HA3 GLY 4 1HA GLY 4 1.775 -4.533 17.185 21 H SER 5 H SER 5 2.579 -2.067 16.017 22 HA SER 5 HA SER 5 0.111 -1.337 14.780 23 HB2 SER 5 2HB SER 5 1.220 1.154 15.909 24 HB3 SER 5 1HB SER 5 -0.429 0.648 15.666 25 HG SER 5 HG SER 5 -0.040 -0.831 17.506 26 H GLY 6 H GLY 6 3.173 -1.973 14.441 27 HA2 GLY 6 2HA GLY 6 4.301 0.151 12.974 28 HA3 GLY 6 1HA GLY 6 4.717 -1.550 12.785 29 H ASP 7 H ASP 7 2.454 -2.684 11.955 30 HA ASP 7 HA ASP 7 2.180 -2.029 9.187 31 HB2 ASP 7 2HB ASP 7 0.215 -3.528 9.326 32 HB3 ASP 7 1HB ASP 7 1.713 -4.287 9.830 33 H THR 8 H THR 8 0.280 -1.464 12.027 34 HA THR 8 HA THR 8 -1.916 -0.177 10.793 35 HB THR 8 HB THR 8 -0.841 0.423 13.544 36 HG1 THR 8 1HG THR 8 -1.249 -1.919 12.730 37 HG21 THR 8 3HG2 THR 8 -2.614 1.857 13.146 38 HG22 THR 8 1HG2 THR 8 -3.414 0.512 13.939 39 HG23 THR 8 2HG2 THR 8 -3.517 0.700 12.181 40 H GLN 9 H GLN 9 1.066 1.105 12.231 41 HA GLN 9 HA GLN 9 0.559 3.800 11.626 42 HB2 GLN 9 2HB GLN 9 3.039 2.227 12.264 43 HB3 GLN 9 1HB GLN 9 3.174 3.903 11.755 44 HG2 GLN 9 2HG GLN 9 1.194 3.258 13.913 45 HG3 GLN 9 1HG GLN 9 2.892 3.241 14.314 46 HE21 GLN 9 1HE2 GLN 9 1.086 5.453 12.069 47 HE22 GLN 9 2HE2 GLN 9 1.594 6.851 12.858 48 H LEU 10 H LEU 10 2.348 1.218 9.953 49 HA LEU 10 HA LEU 10 3.169 2.811 7.740 50 HB2 LEU 10 2HB LEU 10 2.608 -0.169 7.882 51 HB3 LEU 10 1HB LEU 10 3.393 0.657 6.548 52 HG LEU 10 HG LEU 10 4.512 -0.205 9.130 53 HD11 LEU 10 1HD1 LEU 10 6.304 -0.731 7.921 54 HD12 LEU 10 2HD1 LEU 10 6.228 0.749 6.958 55 HD13 LEU 10 3HD1 LEU 10 5.163 -0.607 6.576 56 HD21 LEU 10 3HD2 LEU 10 4.596 2.103 9.798 57 HD22 LEU 10 1HD2 LEU 10 5.029 2.642 8.170 58 HD23 LEU 10 2HD2 LEU 10 6.175 1.742 9.110 59 H PHE 11 H PHE 11 0.324 0.817 8.349 60 HA PHE 11 HA PHE 11 -0.927 1.167 5.851 61 HB2 PHE 11 2HB PHE 11 -1.689 -0.515 7.374 62 HB3 PHE 11 1HB PHE 11 -2.043 0.680 8.609 63 HD1 PHE 11 1HD PHE 11 -3.034 -0.436 5.172 64 HD2 PHE 11 2HD PHE 11 -4.098 1.870 8.648 65 HE1 PHE 11 1HE PHE 11 -5.295 -0.110 4.271 66 HE2 PHE 11 2HE PHE 11 -6.366 2.190 7.732 67 HZ PHE 11 HZ PHE 11 -6.972 1.204 5.549 68 H ASN 12 H ASN 12 -1.243 2.941 8.903 69 HA ASN 12 HA ASN 12 -3.160 4.813 8.014 70 HB2 ASN 12 2HB ASN 12 -0.986 5.076 10.100 71 HB3 ASN 12 1HB ASN 12 -2.271 6.246 9.861 72 HD21 ASN 12 1HD2 ASN 12 -1.735 4.477 12.193 73 HD22 ASN 12 2HD2 ASN 12 -3.163 3.595 12.451 74 H ARG 13 H ARG 13 0.357 4.923 8.154 75 HA ARG 13 HA ARG 13 0.662 7.470 6.959 76 HB2 ARG 13 2HB ARG 13 2.458 5.061 7.220 77 HB3 ARG 13 1HB ARG 13 2.973 6.575 6.486 78 HG2 ARG 13 2HG ARG 13 2.539 7.822 8.533 79 HG3 ARG 13 1HG ARG 13 1.791 6.423 9.281 80 HD2 ARG 13 2HD ARG 13 3.746 5.236 9.388 81 HD3 ARG 13 1HD ARG 13 4.709 6.314 8.369 82 HE ARG 13 HE ARG 13 3.833 6.733 11.191 83 HH11 ARG 13 1HH2 ARG 13 5.656 7.849 8.405 84 HH12 ARG 13 2HH2 ARG 13 6.638 8.889 9.305 85 HH21 ARG 13 1HH1 ARG 13 5.134 8.095 12.360 86 HH22 ARG 13 2HH1 ARG 13 6.343 9.071 11.623 87 H ALA 14 H ALA 14 0.825 4.153 5.646 88 HA ALA 14 HA ALA 14 1.302 4.910 2.987 89 HB1 ALA 14 1HB ALA 14 -0.130 2.444 3.979 90 HB2 ALA 14 2HB ALA 14 1.622 2.611 3.809 91 HB3 ALA 14 3HB ALA 14 0.591 2.653 2.386 92 H VAL 15 H VAL 15 -1.784 4.053 4.580 93 HA VAL 15 HA VAL 15 -3.292 4.521 2.312 94 HB VAL 15 HB VAL 15 -3.860 3.310 4.572 95 HG11 VAL 15 1HG1 VAL 15 -5.263 4.532 6.066 96 HG12 VAL 15 2HG1 VAL 15 -5.209 5.977 5.047 97 HG13 VAL 15 3HG1 VAL 15 -3.770 5.440 5.896 98 HG21 VAL 15 3HG2 VAL 15 -6.057 4.834 3.202 99 HG22 VAL 15 1HG2 VAL 15 -6.129 3.197 3.852 100 HG23 VAL 15 2HG2 VAL 15 -5.209 3.519 2.395 101 H SER 16 H SER 16 -2.331 6.724 4.969 102 HA SER 16 HA SER 16 -3.967 8.902 4.184 103 HB2 SER 16 2HB SER 16 -2.891 8.734 6.425 104 HB3 SER 16 1HB SER 16 -1.323 8.850 5.669 105 HG SER 16 HG SER 16 -1.636 10.937 5.915 106 H MET 17 H MET 17 -0.670 7.880 3.509 107 HA MET 17 HA MET 17 0.029 10.075 1.900 108 HB2 MET 17 2HB MET 17 1.192 7.261 1.975 109 HB3 MET 17 1HB MET 17 1.895 8.678 1.210 110 HG2 MET 17 2HG MET 17 2.153 9.866 3.232 111 HG3 MET 17 1HG MET 17 1.136 8.837 4.118 112 HE1 MET 17 3HE MET 17 4.018 8.493 1.622 113 HE2 MET 17 1HE MET 17 3.700 6.746 1.734 114 HE3 MET 17 2HE MET 17 5.162 7.391 2.399 115 H VAL 18 H VAL 18 -1.266 6.837 1.075 116 HA VAL 18 HA VAL 18 -1.198 7.456 -1.706 117 HB VAL 18 HB VAL 18 -2.315 5.333 -2.103 118 HG11 VAL 18 1HG1 VAL 18 0.047 5.388 -0.212 119 HG12 VAL 18 2HG1 VAL 18 0.079 5.288 -1.978 120 HG13 VAL 18 3HG1 VAL 18 -0.497 3.921 -1.026 121 HG21 VAL 18 3HG2 VAL 18 -3.644 4.507 -0.475 122 HG22 VAL 18 1HG2 VAL 18 -2.961 5.615 0.709 123 HG23 VAL 18 2HG2 VAL 18 -2.182 4.059 0.395 124 H GLU 19 H GLU 19 -4.030 7.168 0.547 125 HA GLU 19 HA GLU 19 -5.951 7.350 -1.438 126 HB2 GLU 19 2HB GLU 19 -6.092 8.430 1.402 127 HB3 GLU 19 1HB GLU 19 -7.437 8.309 0.270 128 HG2 GLU 19 2HG GLU 19 -7.211 5.867 0.218 129 HG3 GLU 19 1HG GLU 19 -5.832 5.979 1.308 130 H LYS 20 H LYS 20 -4.190 9.799 0.251 131 HA LYS 20 HA LYS 20 -5.798 11.901 -0.912 132 HB2 LYS 20 2HB LYS 20 -3.517 12.071 1.062 133 HB3 LYS 20 1HB LYS 20 -4.670 13.350 0.713 134 HG2 LYS 20 2HG LYS 20 -5.385 10.617 1.851 135 HG3 LYS 20 1HG LYS 20 -5.289 12.104 2.773 136 HD2 LYS 20 2HD LYS 20 -7.383 12.687 2.194 137 HD3 LYS 20 1HD LYS 20 -7.030 12.589 0.490 138 HE2 LYS 20 2HE LYS 20 -8.826 11.002 0.990 139 HE3 LYS 20 1HE LYS 20 -7.372 10.144 0.572 140 HZ1 LYS 20 3HZ LYS 20 -7.074 10.310 3.237 141 HZ2 LYS 20 1HZ LYS 20 -7.888 9.008 2.520 142 HZ3 LYS 20 2HZ LYS 20 -8.761 10.293 3.104 143 H ASN 21 H ASN 21 -3.107 10.262 -1.923 144 HA ASN 21 HA ASN 21 -1.526 12.406 -2.977 145 HB2 ASN 21 2HB ASN 21 -0.593 10.135 -2.648 146 HB3 ASN 21 1HB ASN 21 -1.650 9.534 -3.905 147 HD21 ASN 21 1HD2 ASN 21 1.282 11.343 -3.313 148 HD22 ASN 21 2HD2 ASN 21 1.687 11.545 -4.946 149 H LYS 22 H LYS 22 -1.877 13.621 -4.666 150 HA LYS 22 HA LYS 22 -4.263 13.790 -5.941 151 HB2 LYS 22 2HB LYS 22 -3.384 15.484 -7.257 152 HB3 LYS 22 1HB LYS 22 -2.379 15.534 -5.820 153 HG2 LYS 22 2HG LYS 22 -1.595 14.133 -8.434 154 HG3 LYS 22 1HG LYS 22 -1.082 15.726 -7.949 155 HD2 LYS 22 2HD LYS 22 -0.554 13.472 -6.003 156 HD3 LYS 22 1HD LYS 22 0.438 13.611 -7.425 157 HE2 LYS 22 2HE LYS 22 -0.075 15.958 -5.614 158 HE3 LYS 22 1HE LYS 22 1.280 14.874 -5.379 159 HZ1 LYS 22 3HZ LYS 22 2.202 16.472 -6.718 160 HZ2 LYS 22 1HZ LYS 22 0.797 16.768 -7.592 161 HZ3 LYS 22 2HZ LYS 22 1.731 15.375 -7.889 162 H ASP 23 H ASP 23 -1.376 12.229 -7.360 163 HA ASP 23 HA ASP 23 -2.718 11.619 -9.785 164 HB2 ASP 23 2HB ASP 23 -0.170 11.603 -9.364 165 HB3 ASP 23 1HB ASP 23 -0.423 10.011 -8.671 166 H ILE 24 H ILE 24 -2.168 9.888 -6.789 167 HA ILE 24 HA ILE 24 -3.474 7.505 -7.577 168 HB ILE 24 HB ILE 24 -3.023 8.664 -4.823 169 HG12 ILE 24 2HG1 ILE 24 -1.698 6.323 -6.233 170 HG13 ILE 24 1HG1 ILE 24 -1.024 7.952 -6.264 171 HG21 ILE 24 1HG2 ILE 24 -4.844 7.186 -4.559 172 HG22 ILE 24 2HG2 ILE 24 -3.429 6.209 -4.168 173 HG23 ILE 24 3HG2 ILE 24 -4.204 6.050 -5.752 174 HD11 ILE 24 3HD1 ILE 24 -0.349 7.857 -4.083 175 HD12 ILE 24 1HD1 ILE 24 -0.390 6.116 -4.361 176 HD13 ILE 24 2HD1 ILE 24 -1.759 6.915 -3.592 177 H ARG 25 H ARG 25 -4.654 10.458 -5.961 178 HA ARG 25 HA ARG 25 -7.297 9.655 -5.480 179 HB2 ARG 25 2HB ARG 25 -6.223 12.300 -6.415 180 HB3 ARG 25 1HB ARG 25 -7.900 12.073 -6.003 181 HG2 ARG 25 2HG ARG 25 -7.150 11.339 -3.693 182 HG3 ARG 25 1HG ARG 25 -5.500 11.739 -4.128 183 HD2 ARG 25 2HD ARG 25 -6.324 14.079 -4.736 184 HD3 ARG 25 1HD ARG 25 -7.867 13.600 -4.052 185 HE ARG 25 HE ARG 25 -5.452 13.416 -2.386 186 HH11 ARG 25 1HH2 ARG 25 -8.516 14.936 -3.169 187 HH12 ARG 25 2HH2 ARG 25 -8.600 15.851 -1.741 188 HH21 ARG 25 1HH1 ARG 25 -5.574 14.690 -0.413 189 HH22 ARG 25 2HH1 ARG 25 -6.930 15.689 -0.158 190 H SER 26 H SER 26 -5.746 10.984 -8.295 191 HA SER 26 HA SER 26 -7.983 11.031 -10.015 192 HB2 SER 26 2HB SER 26 -5.066 10.756 -10.608 193 HB3 SER 26 1HB SER 26 -6.296 11.273 -11.772 194 HG SER 26 HG SER 26 -5.156 12.564 -9.522 195 H LEU 27 H LEU 27 -5.508 8.579 -9.349 196 HA LEU 27 HA LEU 27 -6.485 6.591 -11.181 197 HB2 LEU 27 2HB LEU 27 -4.993 6.298 -8.553 198 HB3 LEU 27 1HB LEU 27 -5.326 5.000 -9.681 199 HG LEU 27 HG LEU 27 -3.793 7.498 -10.453 200 HD11 LEU 27 1HD1 LEU 27 -2.941 5.310 -8.840 201 HD12 LEU 27 2HD1 LEU 27 -2.015 6.653 -9.466 202 HD13 LEU 27 3HD1 LEU 27 -2.153 5.153 -10.415 203 HD21 LEU 27 3HD2 LEU 27 -3.082 5.984 -12.355 204 HD22 LEU 27 1HD2 LEU 27 -4.803 6.361 -12.374 205 HD23 LEU 27 2HD2 LEU 27 -4.242 4.800 -11.771 206 H LEU 28 H LEU 28 -7.110 7.414 -7.836 207 HA LEU 28 HA LEU 28 -8.990 5.315 -7.365 208 HB2 LEU 28 2HB LEU 28 -8.503 7.910 -5.883 209 HB3 LEU 28 1HB LEU 28 -9.539 6.647 -5.268 210 HG LEU 28 HG LEU 28 -6.559 6.363 -5.856 211 HD11 LEU 28 1HD1 LEU 28 -6.916 7.714 -3.883 212 HD12 LEU 28 2HD1 LEU 28 -6.407 6.102 -3.392 213 HD13 LEU 28 3HD1 LEU 28 -8.095 6.559 -3.258 214 HD21 LEU 28 3HD2 LEU 28 -7.699 4.209 -6.197 215 HD22 LEU 28 1HD2 LEU 28 -8.576 4.407 -4.677 216 HD23 LEU 28 2HD2 LEU 28 -6.834 4.184 -4.673 217 H GLN 29 H GLN 29 -9.103 8.240 -9.054 218 HA GLN 29 HA GLN 29 -10.775 9.416 -10.075 219 HB2 GLN 29 2HB GLN 29 -12.653 7.168 -9.272 220 HB3 GLN 29 1HB GLN 29 -12.832 8.313 -10.592 221 HG2 GLN 29 2HG GLN 29 -10.403 6.526 -10.543 222 HG3 GLN 29 1HG GLN 29 -11.918 5.892 -11.136 223 HE21 GLN 29 1HE2 GLN 29 -9.279 8.063 -11.873 224 HE22 GLN 29 2HE2 GLN 29 -9.852 8.491 -13.407 225 H CYS 30 H CYS 30 -10.048 9.763 -7.382 226 HA CYS 30 HA CYS 30 -12.192 9.920 -5.563 227 HB2 CYS 30 2HB CYS 30 -9.606 10.116 -5.165 228 HB3 CYS 30 1HB CYS 30 -9.902 11.841 -5.377 229 HG CYS 30 HG CYS 30 -10.549 11.758 -2.990 230 H ASP 31 H ASP 31 -13.476 10.858 -7.614 231 HA ASP 31 HA ASP 31 -13.549 13.794 -7.469 232 HB2 ASP 31 2HB ASP 31 -14.892 11.788 -9.299 233 HB3 ASP 31 1HB ASP 31 -15.294 13.495 -9.265 234 H ASP 32 H ASP 32 -14.222 13.486 -5.190 235 HA ASP 32 HA ASP 32 -16.780 12.391 -4.621 236 HB2 ASP 32 2HB ASP 32 -14.929 14.276 -3.186 237 HB3 ASP 32 1HB ASP 32 -16.564 14.093 -2.597 238 H GLY 33 H GLY 33 -18.770 13.211 -4.915 239 HA2 GLY 33 2HA GLY 33 -20.319 15.025 -5.177 240 HA3 GLY 33 1HA GLY 33 -19.027 16.009 -5.840 241 H ILE 34 H ILE 34 -18.194 13.268 -7.231 242 HA ILE 34 HA ILE 34 -19.300 13.838 -9.764 243 HB ILE 34 HB ILE 34 -17.147 12.627 -9.372 244 HG12 ILE 34 2HG1 ILE 34 -17.457 10.936 -11.177 245 HG13 ILE 34 1HG1 ILE 34 -19.198 11.143 -11.059 246 HG21 ILE 34 1HG2 ILE 34 -16.981 10.527 -8.516 247 HG22 ILE 34 2HG2 ILE 34 -18.595 10.058 -8.991 248 HG23 ILE 34 3HG2 ILE 34 -18.353 11.091 -7.569 249 HD11 ILE 34 3HD1 ILE 34 -17.836 12.508 -12.843 250 HD12 ILE 34 1HD1 ILE 34 -17.466 13.567 -11.477 251 HD13 ILE 34 2HD1 ILE 34 -19.143 13.275 -11.947 252 H THR 35 H THR 35 -20.172 11.664 -7.203 253 HA THR 35 HA THR 35 -22.863 11.522 -8.191 254 HB THR 35 HB THR 35 -22.246 9.543 -9.297 255 HG1 THR 35 1HG THR 35 -23.007 8.945 -6.650 256 HG21 THR 35 3HG2 THR 35 -20.807 7.886 -7.551 257 HG22 THR 35 1HG2 THR 35 -20.063 9.462 -7.359 258 HG23 THR 35 2HG2 THR 35 -20.180 8.710 -8.951 259 H GLY 36 H GLY 36 -22.216 13.011 -6.212 260 HA2 GLY 36 2HA GLY 36 -22.665 13.414 -3.988 261 HA3 GLY 36 1HA GLY 36 -22.956 11.693 -3.722 262 H LYS 37 H LYS 37 -21.432 12.046 -1.868 263 HA LYS 37 HA LYS 37 -18.627 12.046 -2.800 264 HB2 LYS 37 2HB LYS 37 -19.834 12.299 -0.031 265 HB3 LYS 37 1HB LYS 37 -18.124 12.128 -0.349 266 HG2 LYS 37 2HG LYS 37 -18.374 14.479 -0.226 267 HG3 LYS 37 1HG LYS 37 -18.348 14.149 -1.943 268 HD2 LYS 37 2HD LYS 37 -20.115 15.706 -1.480 269 HD3 LYS 37 1HD LYS 37 -20.865 14.206 -1.991 270 HE2 LYS 37 2HE LYS 37 -21.304 13.601 0.359 271 HE3 LYS 37 1HE LYS 37 -20.478 15.053 0.916 272 HZ1 LYS 37 3HZ LYS 37 -22.936 15.168 0.803 273 HZ2 LYS 37 1HZ LYS 37 -22.857 15.101 -0.877 274 HZ3 LYS 37 2HZ LYS 37 -22.161 16.405 -0.023 275 H GLU 38 H GLU 38 -17.826 10.129 -3.209 276 HA GLU 38 HA GLU 38 -19.007 7.792 -1.947 277 HB2 GLU 38 2HB GLU 38 -17.201 8.123 -4.321 278 HB3 GLU 38 1HB GLU 38 -17.503 6.532 -3.599 279 HG2 GLU 38 2HG GLU 38 -19.907 6.860 -3.888 280 HG3 GLU 38 1HG GLU 38 -19.639 8.469 -4.496 281 H ARG 39 H ARG 39 -18.232 6.964 -0.279 282 HA ARG 39 HA ARG 39 -15.890 8.109 0.893 283 HB2 ARG 39 2HB ARG 39 -17.305 5.703 1.992 284 HB3 ARG 39 1HB ARG 39 -16.426 6.945 2.885 285 HG2 ARG 39 2HG ARG 39 -19.169 7.100 1.616 286 HG3 ARG 39 1HG ARG 39 -18.688 7.527 3.248 287 HD2 ARG 39 2HD ARG 39 -18.011 9.116 0.713 288 HD3 ARG 39 1HD ARG 39 -19.143 9.559 1.935 289 HE ARG 39 HE ARG 39 -16.224 9.597 2.182 290 HH11 ARG 39 1HH2 ARG 39 -19.381 10.108 3.604 291 HH12 ARG 39 2HH2 ARG 39 -18.800 11.092 4.878 292 HH21 ARG 39 1HH1 ARG 39 -15.446 10.912 3.934 293 HH22 ARG 39 2HH1 ARG 39 -16.556 11.563 5.062 294 H LEU 40 H LEU 40 -13.881 7.404 1.102 295 HA LEU 40 HA LEU 40 -13.049 5.199 -0.590 296 HB2 LEU 40 2HB LEU 40 -11.406 7.005 1.201 297 HB3 LEU 40 1HB LEU 40 -10.789 5.900 -0.018 298 HG LEU 40 HG LEU 40 -12.492 7.256 -1.592 299 HD11 LEU 40 1HD1 LEU 40 -11.953 9.035 0.772 300 HD12 LEU 40 2HD1 LEU 40 -13.428 8.855 -0.161 301 HD13 LEU 40 3HD1 LEU 40 -12.073 9.759 -0.822 302 HD21 LEU 40 3HD2 LEU 40 -9.948 6.994 -1.761 303 HD22 LEU 40 1HD2 LEU 40 -9.821 8.479 -0.821 304 HD23 LEU 40 2HD2 LEU 40 -10.595 8.504 -2.399 305 H LYS 41 H LYS 41 -12.493 3.219 0.051 306 HA LYS 41 HA LYS 41 -12.377 2.680 2.962 307 HB2 LYS 41 2HB LYS 41 -13.354 0.905 0.742 308 HB3 LYS 41 1HB LYS 41 -12.980 0.379 2.381 309 HG2 LYS 41 2HG LYS 41 -14.661 2.024 3.254 310 HG3 LYS 41 1HG LYS 41 -15.083 2.423 1.592 311 HD2 LYS 41 2HD LYS 41 -16.662 0.761 2.331 312 HD3 LYS 41 1HD LYS 41 -15.592 0.003 1.172 313 HE2 LYS 41 2HE LYS 41 -15.858 -1.476 3.132 314 HE3 LYS 41 1HE LYS 41 -14.188 -0.910 3.018 315 HZ1 LYS 41 3HZ LYS 41 -14.642 0.759 4.647 316 HZ2 LYS 41 1HZ LYS 41 -15.034 -0.747 5.260 317 HZ3 LYS 41 2HZ LYS 41 -16.277 0.297 4.777 318 H ALA 42 H ALA 42 -10.971 1.058 3.650 319 HA ALA 42 HA ALA 42 -9.045 0.083 1.726 320 HB1 ALA 42 1HB ALA 42 -7.172 0.655 3.313 321 HB2 ALA 42 2HB ALA 42 -8.362 1.673 4.154 322 HB3 ALA 42 3HB ALA 42 -7.924 2.032 2.476 323 H TYR 43 H TYR 43 -8.394 -1.943 2.163 324 HA TYR 43 HA TYR 43 -8.589 -3.080 4.799 325 HB2 TYR 43 2HB TYR 43 -10.114 -4.950 3.997 326 HB3 TYR 43 1HB TYR 43 -10.879 -3.392 4.290 327 HD1 TYR 43 1HD TYR 43 -9.672 -5.724 1.667 328 HD2 TYR 43 2HD TYR 43 -11.775 -2.062 2.473 329 HE1 TYR 43 1HE TYR 43 -10.484 -5.685 -0.653 330 HE2 TYR 43 2HE TYR 43 -12.593 -2.021 0.155 331 HH TYR 43 HH TYR 43 -12.897 -3.345 -1.705 332 H GLY 44 H GLY 44 -7.895 -5.424 4.824 333 HA2 GLY 44 2HA GLY 44 -5.540 -5.771 3.254 334 HA3 GLY 44 1HA GLY 44 -6.265 -6.867 4.417 335 H GLU 45 H GLU 45 -5.251 -7.488 1.779 336 HA GLU 45 HA GLU 45 -6.724 -7.924 -0.325 337 HB2 GLU 45 2HB GLU 45 -5.336 -9.960 1.289 338 HB3 GLU 45 1HB GLU 45 -5.893 -10.349 -0.356 339 HG2 GLU 45 2HG GLU 45 -4.460 -7.800 -0.316 340 HG3 GLU 45 1HG GLU 45 -3.460 -9.033 0.400 341 H LEU 46 H LEU 46 -8.837 -7.920 -0.415 342 HA LEU 46 HA LEU 46 -10.660 -8.685 1.364 343 HB2 LEU 46 2HB LEU 46 -12.343 -8.857 -0.441 344 HB3 LEU 46 1HB LEU 46 -11.405 -7.394 -0.486 345 HG LEU 46 HG LEU 46 -11.711 -9.472 -2.529 346 HD11 LEU 46 1HD1 LEU 46 -10.241 -7.366 -3.587 347 HD12 LEU 46 2HD1 LEU 46 -11.300 -6.626 -2.404 348 HD13 LEU 46 3HD1 LEU 46 -11.962 -7.653 -3.677 349 HD21 LEU 46 3HD2 LEU 46 -9.275 -10.055 -1.558 350 HD22 LEU 46 1HD2 LEU 46 -8.846 -8.523 -2.328 351 HD23 LEU 46 2HD2 LEU 46 -9.522 -9.828 -3.259 352 H ILE 47 H ILE 47 -11.049 -10.703 -1.433 353 HA ILE 47 HA ILE 47 -12.343 -12.734 -0.552 354 HB ILE 47 HB ILE 47 -11.174 -14.289 -2.046 355 HG12 ILE 47 2HG1 ILE 47 -9.103 -12.065 -2.358 356 HG13 ILE 47 1HG1 ILE 47 -8.819 -13.558 -1.461 357 HG21 ILE 47 1HG2 ILE 47 -12.700 -12.566 -2.952 358 HG22 ILE 47 2HG2 ILE 47 -11.396 -12.925 -4.084 359 HG23 ILE 47 3HG2 ILE 47 -11.344 -11.452 -3.118 360 HD11 ILE 47 3HD1 ILE 47 -8.104 -13.376 -3.976 361 HD12 ILE 47 1HD1 ILE 47 -9.799 -13.749 -4.292 362 HD13 ILE 47 2HD1 ILE 47 -8.809 -14.866 -3.362 363 H THR 48 H THR 48 -8.927 -12.460 0.258 364 HA THR 48 HA THR 48 -8.832 -14.804 1.865 365 HB THR 48 HB THR 48 -6.815 -13.294 2.783 366 HG1 THR 48 1HG THR 48 -7.494 -11.454 1.394 367 HG21 THR 48 3HG2 THR 48 -6.513 -15.428 1.756 368 HG22 THR 48 1HG2 THR 48 -5.493 -14.280 0.888 369 HG23 THR 48 2HG2 THR 48 -7.022 -14.814 0.187 370 H ASN 49 H ASN 49 -8.162 -11.540 3.092 371 HA ASN 49 HA ASN 49 -9.183 -12.268 5.651 372 HB2 ASN 49 2HB ASN 49 -7.770 -10.751 6.269 373 HB3 ASN 49 1HB ASN 49 -7.539 -10.144 4.637 374 HD21 ASN 49 1HD2 ASN 49 -9.546 -9.634 7.594 375 HD22 ASN 49 2HD2 ASN 49 -10.067 -8.095 7.133 376 H ASP 50 H ASP 50 -10.765 -11.434 2.951 377 HA ASP 50 HA ASP 50 -12.937 -9.901 3.630 378 HB2 ASP 50 2HB ASP 50 -12.866 -10.730 1.444 379 HB3 ASP 50 1HB ASP 50 -12.641 -12.394 1.973 380 H LYS 51 H LYS 51 -11.998 -13.113 4.589 381 HA LYS 51 HA LYS 51 -14.463 -13.705 5.989 382 HB2 LYS 51 2HB LYS 51 -11.815 -15.149 6.351 383 HB3 LYS 51 1HB LYS 51 -13.452 -15.770 6.550 384 HG2 LYS 51 2HG LYS 51 -12.210 -14.924 3.902 385 HG3 LYS 51 1HG LYS 51 -12.489 -16.572 4.450 386 HD2 LYS 51 2HD LYS 51 -14.915 -16.187 4.501 387 HD3 LYS 51 1HD LYS 51 -14.705 -14.514 4.030 388 HE2 LYS 51 2HE LYS 51 -13.748 -16.836 2.325 389 HE3 LYS 51 1HE LYS 51 -15.315 -16.053 2.156 390 HZ1 LYS 51 3HZ LYS 51 -13.809 -15.039 0.639 391 HZ2 LYS 51 1HZ LYS 51 -12.650 -14.692 1.811 392 HZ3 LYS 51 2HZ LYS 51 -14.167 -13.920 1.844 393 H TRP 52 H TRP 52 -11.250 -13.948 7.536 394 HA TRP 52 HA TRP 52 -12.188 -11.896 9.398 395 HB2 TRP 52 2HB TRP 52 -10.578 -14.354 10.149 396 HB3 TRP 52 1HB TRP 52 -10.764 -12.952 11.181 397 HD1 TRP 52 HD TRP 52 -12.521 -16.059 10.116 398 HE1 TRP 52 1HE TRP 52 -14.869 -16.135 11.220 399 HE3 TRP 52 3HE TRP 52 -12.818 -11.294 11.933 400 HZ2 TRP 52 2HZ TRP 52 -16.611 -14.417 12.672 401 HZ3 TRP 52 3HZ TRP 52 -14.825 -10.538 13.171 402 HH2 TRP 52 HH TRP 52 -16.727 -12.097 13.544 403 H THR 53 H THR 53 -9.027 -13.321 9.495 404 HA THR 53 HA THR 53 -7.779 -10.828 8.492 405 HB THR 53 HB THR 53 -5.814 -11.780 10.022 406 HG1 THR 53 1HG THR 53 -7.954 -12.470 11.620 407 HG21 THR 53 3HG2 THR 53 -6.435 -9.676 10.646 408 HG22 THR 53 1HG2 THR 53 -7.154 -10.538 11.995 409 HG23 THR 53 2HG2 THR 53 -8.154 -10.034 10.629 410 H ARG 54 H ARG 54 -8.588 -13.637 7.567 411 HA ARG 54 HA ARG 54 -7.280 -15.499 7.257 412 HB2 ARG 54 2HB ARG 54 -9.049 -14.830 5.596 413 HB3 ARG 54 1HB ARG 54 -7.728 -14.438 4.495 414 HG2 ARG 54 2HG ARG 54 -8.278 -16.660 3.980 415 HG3 ARG 54 1HG ARG 54 -6.843 -16.801 4.986 416 HD2 ARG 54 2HD ARG 54 -9.614 -16.853 6.188 417 HD3 ARG 54 1HD ARG 54 -8.866 -18.343 5.555 418 HE ARG 54 HE ARG 54 -8.427 -17.113 8.056 419 HH11 ARG 54 1HH2 ARG 54 -6.599 -18.536 5.456 420 HH12 ARG 54 2HH2 ARG 54 -5.280 -19.029 6.418 421 HH21 ARG 54 1HH1 ARG 54 -6.687 -17.777 9.392 422 HH22 ARG 54 2HH1 ARG 54 -5.341 -18.594 8.723 423 H ASN 55 H ASN 55 -6.072 -13.970 4.339 424 HA ASN 55 HA ASN 55 -3.513 -15.198 4.876 425 HB2 ASN 55 2HB ASN 55 -4.749 -15.256 2.675 426 HB3 ASN 55 1HB ASN 55 -4.114 -13.632 2.347 427 HD21 ASN 55 1HD2 ASN 55 -3.014 -16.894 3.424 428 HD22 ASN 55 2HD2 ASN 55 -1.556 -16.852 2.561 429 H ARG 56 H ARG 56 -3.616 -12.137 3.113 430 HA ARG 56 HA ARG 56 -1.903 -11.042 5.239 431 HB2 ARG 56 2HB ARG 56 -1.043 -9.498 3.515 432 HB3 ARG 56 1HB ARG 56 -0.570 -11.173 3.242 433 HG2 ARG 56 2HG ARG 56 -3.134 -10.431 1.947 434 HG3 ARG 56 1HG ARG 56 -1.749 -9.505 1.380 435 HD2 ARG 56 2HD ARG 56 -0.531 -11.608 0.916 436 HD3 ARG 56 1HD ARG 56 -1.923 -12.507 1.504 437 HE ARG 56 HE ARG 56 -2.342 -10.631 -0.737 438 HH11 ARG 56 1HH2 ARG 56 -2.100 -13.973 0.396 439 HH12 ARG 56 2HH2 ARG 56 -2.816 -14.577 -1.039 440 HH21 ARG 56 1HH1 ARG 56 -3.268 -11.469 -2.530 441 HH22 ARG 56 2HH1 ARG 56 -3.517 -13.158 -2.734 442 HA PRO 57 HA PRO 57 -5.390 -8.213 5.454 443 HB2 PRO 57 2HB PRO 57 -5.165 -7.909 8.170 444 HB3 PRO 57 1HB PRO 57 -6.215 -9.104 7.388 445 HG2 PRO 57 2HG PRO 57 -3.533 -9.475 8.625 446 HG3 PRO 57 1HG PRO 57 -4.913 -10.572 8.604 447 HD2 PRO 57 2HD PRO 57 -2.790 -10.933 7.000 448 HD3 PRO 57 1HD PRO 57 -4.412 -11.416 6.454 449 H ILE 58 H ILE 58 -5.213 -5.962 6.805 450 HA ILE 58 HA ILE 58 -2.932 -4.650 5.820 451 HB ILE 58 HB ILE 58 -4.831 -3.840 8.045 452 HG12 ILE 58 2HG1 ILE 58 -4.682 -2.844 5.190 453 HG13 ILE 58 1HG1 ILE 58 -5.722 -4.197 5.639 454 HG21 ILE 58 1HG2 ILE 58 -2.816 -2.166 6.514 455 HG22 ILE 58 2HG2 ILE 58 -2.667 -2.598 8.205 456 HG23 ILE 58 3HG2 ILE 58 -3.997 -1.568 7.668 457 HD11 ILE 58 3HD1 ILE 58 -5.873 -1.603 7.158 458 HD12 ILE 58 1HD1 ILE 58 -7.113 -2.844 6.937 459 HD13 ILE 58 2HD1 ILE 58 -6.685 -1.786 5.601 460 H VAL 59 H VAL 59 -1.337 -6.195 6.512 461 HA VAL 59 HA VAL 59 -0.174 -5.509 9.111 462 HB VAL 59 HB VAL 59 0.472 -7.870 9.420 463 HG11 VAL 59 1HG1 VAL 59 -2.504 -7.682 8.944 464 HG12 VAL 59 2HG1 VAL 59 -1.721 -6.931 10.320 465 HG13 VAL 59 3HG1 VAL 59 -1.684 -8.695 10.126 466 HG21 VAL 59 3HG2 VAL 59 -0.007 -8.207 6.717 467 HG22 VAL 59 1HG2 VAL 59 -1.476 -8.875 7.413 468 HG23 VAL 59 2HG2 VAL 59 0.083 -9.528 7.865 469 H SER 60 H SER 60 2.186 -6.042 9.111 470 HA SER 60 HA SER 60 3.262 -6.022 6.373 471 HB2 SER 60 2HB SER 60 5.376 -5.104 7.613 472 HB3 SER 60 1HB SER 60 4.082 -4.006 7.155 473 HG SER 60 HG SER 60 3.870 -5.279 9.653 474 H THR 61 H THR 61 4.126 -7.980 5.849 475 HA THR 61 HA THR 61 4.577 -9.947 7.851 476 HB THR 61 HB THR 61 5.379 -11.368 6.062 477 HG1 THR 61 1HG THR 61 6.669 -9.501 5.225 478 HG21 THR 61 3HG2 THR 61 3.553 -11.292 4.555 479 HG22 THR 61 1HG2 THR 61 3.337 -9.557 4.760 480 HG23 THR 61 2HG2 THR 61 2.916 -10.665 6.070 481 H LYS 62 H LYS 62 6.175 -9.919 9.258 482 HA LYS 62 HA LYS 62 8.450 -8.234 8.998 483 HB2 LYS 62 2HB LYS 62 7.867 -10.529 10.867 484 HB3 LYS 62 1HB LYS 62 9.239 -9.442 11.006 485 HG2 LYS 62 2HG LYS 62 6.362 -8.461 11.008 486 HG3 LYS 62 1HG LYS 62 7.242 -8.889 12.471 487 HD2 LYS 62 2HD LYS 62 9.088 -7.269 11.466 488 HD3 LYS 62 1HD LYS 62 7.710 -6.600 10.600 489 HE2 LYS 62 2HE LYS 62 7.296 -5.375 12.465 490 HE3 LYS 62 1HE LYS 62 6.744 -6.862 13.230 491 HZ1 LYS 62 3HZ LYS 62 8.389 -6.069 14.640 492 HZ2 LYS 62 1HZ LYS 62 9.298 -5.475 13.368 493 HZ3 LYS 62 2HZ LYS 62 9.300 -7.144 13.696 494 H LYS 63 H LYS 63 10.318 -8.654 7.964 495 HA LYS 63 HA LYS 63 11.288 -11.392 8.000 496 HB2 LYS 63 2HB LYS 63 11.405 -9.671 5.519 497 HB3 LYS 63 1HB LYS 63 12.202 -11.232 5.722 498 HG2 LYS 63 2HG LYS 63 9.747 -12.050 6.369 499 HG3 LYS 63 1HG LYS 63 9.256 -10.655 5.419 500 HD2 LYS 63 2HD LYS 63 11.033 -12.916 4.472 501 HD3 LYS 63 1HD LYS 63 9.349 -12.689 4.042 502 HE2 LYS 63 2HE LYS 63 9.780 -10.844 2.661 503 HE3 LYS 63 1HE LYS 63 11.278 -10.449 3.503 504 HZ1 LYS 63 3HZ LYS 63 10.896 -12.142 1.251 505 HZ2 LYS 63 1HZ LYS 63 11.713 -12.955 2.491 506 HZ3 LYS 63 2HZ LYS 63 12.322 -11.512 1.915 507 H LEU 64 H LEU 64 13.409 -11.520 8.487 508 HA LEU 64 HA LEU 64 14.737 -8.938 9.058 509 HB2 LEU 64 2HB LEU 64 14.073 -10.717 10.889 510 HB3 LEU 64 1HB LEU 64 15.476 -11.580 10.292 511 HG LEU 64 HG LEU 64 16.348 -10.295 12.058 512 HD11 LEU 64 1HD1 LEU 64 16.762 -8.351 9.794 513 HD12 LEU 64 2HD1 LEU 64 17.588 -9.934 9.865 514 HD13 LEU 64 3HD1 LEU 64 17.829 -8.750 11.127 515 HD21 LEU 64 3HD2 LEU 64 14.173 -8.879 12.149 516 HD22 LEU 64 1HD2 LEU 64 15.034 -7.754 11.097 517 HD23 LEU 64 2HD2 LEU 64 15.669 -8.150 12.691 518 H ASP 65 H ASP 65 16.507 -8.478 7.813 519 HA ASP 65 HA ASP 65 17.809 -10.727 6.432 520 HB2 ASP 65 2HB ASP 65 17.087 -8.054 5.536 521 HB3 ASP 65 1HB ASP 65 18.784 -8.309 5.355 522 H LYS 66 H LYS 66 19.982 -10.698 6.177 523 HA LYS 66 HA LYS 66 21.734 -10.717 8.197 524 HB2 LYS 66 2HB LYS 66 23.513 -10.231 6.566 525 HB3 LYS 66 1HB LYS 66 22.283 -11.335 5.928 526 HG2 LYS 66 2HG LYS 66 21.823 -8.407 5.389 527 HG3 LYS 66 1HG LYS 66 23.156 -9.169 4.566 528 HD2 LYS 66 2HD LYS 66 21.845 -10.683 3.439 529 HD3 LYS 66 1HD LYS 66 20.458 -10.547 4.504 530 HE2 LYS 66 2HE LYS 66 20.085 -8.235 3.734 531 HE3 LYS 66 1HE LYS 66 21.450 -8.362 2.627 532 HZ1 LYS 66 3HZ LYS 66 19.891 -9.115 1.179 533 HZ2 LYS 66 1HZ LYS 66 18.757 -9.374 2.398 534 HZ3 LYS 66 2HZ LYS 66 19.938 -10.551 2.018 535 H GLU 67 H GLU 67 20.530 -7.818 6.663 536 HA GLU 67 HA GLU 67 22.377 -5.915 7.526 537 HB2 GLU 67 2HB GLU 67 19.401 -5.648 7.014 538 HB3 GLU 67 1HB GLU 67 20.537 -4.314 7.180 539 HG2 GLU 67 2HG GLU 67 20.789 -6.502 5.090 540 HG3 GLU 67 1HG GLU 67 20.104 -4.920 4.791 541 H GLY 68 H GLY 68 19.757 -7.523 9.177 542 HA2 GLY 68 2HA GLY 68 19.409 -7.596 11.485 543 HA3 GLY 68 1HA GLY 68 20.460 -6.194 11.698 544 H ARG 69 H ARG 69 18.546 -5.823 9.050 545 HA ARG 69 HA ARG 69 16.738 -3.993 10.452 546 HB2 ARG 69 2HB ARG 69 17.334 -4.256 7.484 547 HB3 ARG 69 1HB ARG 69 16.392 -2.989 8.256 548 HG2 ARG 69 2HG ARG 69 19.328 -3.507 8.871 549 HG3 ARG 69 1HG ARG 69 18.767 -2.305 7.716 550 HD2 ARG 69 2HD ARG 69 17.571 -1.109 9.449 551 HD3 ARG 69 1HD ARG 69 17.931 -2.368 10.613 552 HE ARG 69 HE ARG 69 20.011 -0.641 9.373 553 HH11 ARG 69 1HH2 ARG 69 18.656 -2.359 12.148 554 HH12 ARG 69 2HH2 ARG 69 20.008 -2.024 13.143 555 HH21 ARG 69 1HH1 ARG 69 21.756 -0.203 10.759 556 HH22 ARG 69 2HH1 ARG 69 21.793 -0.795 12.368 557 H THR 70 H THR 70 14.617 -4.436 10.475 558 HA THR 70 HA THR 70 13.719 -6.983 9.385 559 HB THR 70 HB THR 70 11.941 -5.138 10.851 560 HG1 THR 70 1HG THR 70 12.952 -5.270 12.636 561 HG21 THR 70 3HG2 THR 70 12.423 -8.106 11.199 562 HG22 THR 70 1HG2 THR 70 11.247 -7.403 10.075 563 HG23 THR 70 2HG2 THR 70 11.087 -7.135 11.812 564 H HIS 71 H HIS 71 12.582 -7.109 7.560 565 HA HIS 71 HA HIS 71 11.822 -4.676 6.135 566 HB2 HIS 71 2HB HIS 71 12.963 -6.860 5.221 567 HB3 HIS 71 1HB HIS 71 11.305 -7.431 5.105 568 HD1 HIS 71 1HD HIS 71 13.810 -5.477 3.317 569 HD2 HIS 71 2HD HIS 71 9.622 -5.537 3.388 570 HE1 HIS 71 1HE HIS 71 13.008 -4.337 1.191 571 HE2 HIS 71 2HE HIS 71 10.479 -4.436 1.195 572 H HIS 72 H HIS 72 9.788 -3.946 6.039 573 HA HIS 72 HA HIS 72 7.584 -5.617 7.083 574 HB2 HIS 72 2HB HIS 72 8.014 -2.651 6.815 575 HB3 HIS 72 1HB HIS 72 6.388 -3.291 6.916 576 HD1 HIS 72 1HD HIS 72 5.504 -3.800 9.291 577 HD2 HIS 72 2HD HIS 72 9.683 -3.430 9.131 578 HE1 HIS 72 1HE HIS 72 6.303 -3.791 11.643 579 HE2 HIS 72 2HE HIS 72 8.864 -3.636 11.597 580 H TYR 73 H TYR 73 6.663 -6.699 5.392 581 HA TYR 73 HA TYR 73 6.283 -5.301 2.817 582 HB2 TYR 73 2HB TYR 73 5.828 -8.194 3.588 583 HB3 TYR 73 1HB TYR 73 5.502 -7.524 2.022 584 HD1 TYR 73 1HD TYR 73 8.236 -8.255 4.432 585 HD2 TYR 73 2HD TYR 73 7.221 -7.091 0.427 586 HE1 TYR 73 1HE TYR 73 10.571 -8.606 3.734 587 HE2 TYR 73 2HE TYR 73 9.532 -7.439 -0.273 588 HH TYR 73 HH TYR 73 11.448 -8.761 0.472 589 H MET 74 H MET 74 4.488 -4.080 2.941 590 HA MET 74 HA MET 74 2.099 -5.289 4.203 591 HB2 MET 74 2HB MET 74 3.032 -3.385 5.489 592 HB3 MET 74 1HB MET 74 2.839 -2.359 4.056 593 HG2 MET 74 2HG MET 74 0.384 -2.833 4.121 594 HG3 MET 74 1HG MET 74 0.638 -3.815 5.551 595 HE1 MET 74 3HE MET 74 2.474 -0.156 4.779 596 HE2 MET 74 1HE MET 74 0.904 0.640 4.964 597 HE3 MET 74 2HE MET 74 1.104 -0.652 3.793 598 H ARG 75 H ARG 75 0.499 -5.660 2.814 599 HA ARG 75 HA ARG 75 0.137 -3.732 0.679 600 HB2 ARG 75 2HB ARG 75 -0.878 -5.605 -0.728 601 HB3 ARG 75 1HB ARG 75 0.875 -5.541 -0.645 602 HG2 ARG 75 2HG ARG 75 0.986 -7.397 0.847 603 HG3 ARG 75 1HG ARG 75 -0.720 -7.282 1.264 604 HD2 ARG 75 2HD ARG 75 -0.339 -9.151 -0.302 605 HD3 ARG 75 1HD ARG 75 -1.362 -7.917 -1.013 606 HE ARG 75 HE ARG 75 1.423 -7.521 -1.657 607 HH11 ARG 75 1HH2 ARG 75 -1.494 -9.361 -2.483 608 HH12 ARG 75 2HH2 ARG 75 -1.011 -9.660 -4.070 609 HH21 ARG 75 1HH1 ARG 75 2.055 -7.948 -3.821 610 HH22 ARG 75 2HH1 ARG 75 1.049 -8.849 -4.867 611 H PHE 76 H PHE 76 -1.939 -3.129 0.317 612 HA PHE 76 HA PHE 76 -4.084 -4.590 1.549 613 HB2 PHE 76 2HB PHE 76 -5.003 -2.667 2.808 614 HB3 PHE 76 1HB PHE 76 -3.463 -3.212 3.451 615 HD1 PHE 76 2HD PHE 76 -1.426 -1.858 3.126 616 HD2 PHE 76 1HD PHE 76 -5.246 -0.474 1.697 617 HE1 PHE 76 2HE PHE 76 -0.520 0.429 2.883 618 HE2 PHE 76 1HE PHE 76 -4.314 1.808 1.470 619 HZ PHE 76 HZ PHE 76 -1.973 2.259 2.054 620 H HIS 77 H HIS 77 -6.233 -3.660 1.008 621 HA HIS 77 HA HIS 77 -6.013 -2.560 -1.694 622 HB2 HIS 77 2HB HIS 77 -8.136 -4.369 -0.535 623 HB3 HIS 77 1HB HIS 77 -8.121 -3.744 -2.171 624 HD1 HIS 77 1HD HIS 77 -4.734 -4.183 -1.820 625 HD2 HIS 77 2HD HIS 77 -7.844 -6.937 -2.010 626 HE1 HIS 77 1HE HIS 77 -3.696 -6.427 -2.516 627 HE2 HIS 77 2HE HIS 77 -5.546 -8.110 -2.594 628 H VAL 78 H VAL 78 -7.489 -0.999 -2.341 629 HA VAL 78 HA VAL 78 -9.184 0.108 -0.209 630 HB VAL 78 HB VAL 78 -8.510 2.310 -0.596 631 HG11 VAL 78 1HG1 VAL 78 -6.755 1.059 0.588 632 HG12 VAL 78 2HG1 VAL 78 -6.056 2.339 -0.403 633 HG13 VAL 78 3HG1 VAL 78 -5.995 0.664 -0.959 634 HG21 VAL 78 3HG2 VAL 78 -8.560 2.602 -2.914 635 HG22 VAL 78 1HG2 VAL 78 -7.467 1.252 -3.222 636 HG23 VAL 78 2HG2 VAL 78 -6.845 2.780 -2.577 637 H GLU 79 H GLU 79 -10.964 1.287 -0.976 638 HA GLU 79 HA GLU 79 -11.731 0.547 -3.724 639 HB2 GLU 79 2HB GLU 79 -13.429 0.848 -1.269 640 HB3 GLU 79 1HB GLU 79 -14.098 0.818 -2.909 641 HG2 GLU 79 2HG GLU 79 -13.195 -1.321 -3.350 642 HG3 GLU 79 1HG GLU 79 -12.254 -1.401 -1.897 643 H SER 80 H SER 80 -11.671 2.065 -5.038 644 HA SER 80 HA SER 80 -11.712 4.835 -4.202 645 HB2 SER 80 2HB SER 80 -11.517 4.249 -7.088 646 HB3 SER 80 1HB SER 80 -10.544 5.217 -6.004 647 HG SER 80 HG SER 80 -10.518 2.376 -6.151 648 H LYS 81 H LYS 81 -12.896 6.208 -6.101 649 HA LYS 81 HA LYS 81 -15.655 5.839 -5.602 650 HB2 LYS 81 2HB LYS 81 -14.559 7.405 -7.934 651 HB3 LYS 81 1HB LYS 81 -15.981 7.748 -6.977 652 HG2 LYS 81 2HG LYS 81 -13.080 8.098 -6.170 653 HG3 LYS 81 1HG LYS 81 -14.332 9.316 -6.367 654 HD2 LYS 81 2HD LYS 81 -15.378 7.542 -4.438 655 HD3 LYS 81 1HD LYS 81 -13.688 7.719 -4.022 656 HE2 LYS 81 2HE LYS 81 -14.362 10.361 -4.581 657 HE3 LYS 81 1HE LYS 81 -15.845 9.697 -3.903 658 HZ1 LYS 81 3HZ LYS 81 -14.931 9.284 -1.952 659 HZ2 LYS 81 1HZ LYS 81 -14.154 10.698 -2.344 660 HZ3 LYS 81 2HZ LYS 81 -13.295 9.214 -2.437 661 H LYS 82 H LYS 82 -13.528 4.938 -8.222 662 HA LYS 82 HA LYS 82 -15.727 3.386 -9.498 663 HB2 LYS 82 2HB LYS 82 -13.578 4.898 -10.999 664 HB3 LYS 82 1HB LYS 82 -14.990 4.101 -11.672 665 HG2 LYS 82 2HG LYS 82 -15.133 6.451 -9.745 666 HG3 LYS 82 1HG LYS 82 -15.307 6.579 -11.482 667 HD2 LYS 82 2HD LYS 82 -17.353 5.497 -11.532 668 HD3 LYS 82 1HD LYS 82 -17.113 4.631 -10.023 669 HE2 LYS 82 2HE LYS 82 -17.053 7.502 -9.559 670 HE3 LYS 82 1HE LYS 82 -18.516 7.044 -10.434 671 HZ1 LYS 82 3HZ LYS 82 -17.733 5.315 -8.215 672 HZ2 LYS 82 1HZ LYS 82 -19.270 5.810 -8.679 673 HZ3 LYS 82 2HZ LYS 82 -18.261 6.819 -7.767 674 H LYS 83 H LYS 83 -12.745 3.255 -8.079 675 HA LYS 83 HA LYS 83 -11.969 0.780 -9.511 676 HB2 LYS 83 2HB LYS 83 -10.162 2.932 -8.376 677 HB3 LYS 83 1HB LYS 83 -9.680 1.352 -8.995 678 HG2 LYS 83 2HG LYS 83 -11.253 3.305 -10.691 679 HG3 LYS 83 1HG LYS 83 -9.491 3.314 -10.629 680 HD2 LYS 83 2HD LYS 83 -9.422 0.966 -11.306 681 HD3 LYS 83 1HD LYS 83 -11.185 0.907 -11.407 682 HE2 LYS 83 2HE LYS 83 -11.187 2.580 -13.143 683 HE3 LYS 83 1HE LYS 83 -9.453 2.831 -13.002 684 HZ1 LYS 83 3HZ LYS 83 -9.022 0.656 -13.744 685 HZ2 LYS 83 1HZ LYS 83 -10.087 1.344 -14.850 686 HZ3 LYS 83 2HZ LYS 83 -10.659 0.195 -13.734 687 H ILE 84 H ILE 84 -10.915 -0.761 -8.317 688 HA ILE 84 HA ILE 84 -10.923 -0.487 -5.372 689 HB ILE 84 HB ILE 84 -10.992 -3.047 -7.029 690 HG12 ILE 84 2HG1 ILE 84 -13.252 -2.214 -5.263 691 HG13 ILE 84 1HG1 ILE 84 -13.146 -1.410 -6.823 692 HG21 ILE 84 1HG2 ILE 84 -11.602 -3.991 -4.750 693 HG22 ILE 84 2HG2 ILE 84 -11.066 -2.464 -4.064 694 HG23 ILE 84 3HG2 ILE 84 -9.929 -3.483 -4.936 695 HD11 ILE 84 3HD1 ILE 84 -13.425 -3.319 -7.999 696 HD12 ILE 84 1HD1 ILE 84 -14.474 -3.639 -6.621 697 HD13 ILE 84 2HD1 ILE 84 -12.867 -4.388 -6.705 698 H ALA 85 H ALA 85 -8.843 -0.339 -4.646 699 HA ALA 85 HA ALA 85 -6.725 -0.977 -6.625 700 HB1 ALA 85 1HB ALA 85 -7.411 1.523 -5.383 701 HB2 ALA 85 2HB ALA 85 -6.259 1.183 -6.657 702 HB3 ALA 85 3HB ALA 85 -5.756 1.077 -4.967 703 H LEU 86 H LEU 86 -4.674 -1.436 -5.936 704 HA LEU 86 HA LEU 86 -4.497 -2.691 -3.282 705 HB2 LEU 86 2HB LEU 86 -4.178 -4.455 -4.722 706 HB3 LEU 86 1HB LEU 86 -3.438 -3.484 -5.974 707 HG LEU 86 HG LEU 86 -1.384 -3.260 -4.525 708 HD11 LEU 86 1HD1 LEU 86 -1.321 -3.903 -2.427 709 HD12 LEU 86 2HD1 LEU 86 -1.927 -5.501 -2.800 710 HD13 LEU 86 3HD1 LEU 86 -3.059 -4.169 -2.469 711 HD21 LEU 86 3HD2 LEU 86 -2.069 -6.181 -4.859 712 HD22 LEU 86 1HD2 LEU 86 -0.517 -5.382 -5.068 713 HD23 LEU 86 2HD2 LEU 86 -1.780 -5.135 -6.257 714 H VAL 87 H VAL 87 -3.060 -1.910 -1.890 715 HA VAL 87 HA VAL 87 -0.983 -0.076 -2.909 716 HB VAL 87 HB VAL 87 -2.312 -0.102 -0.192 717 HG11 VAL 87 1HG1 VAL 87 -0.116 0.713 0.111 718 HG12 VAL 87 2HG1 VAL 87 -1.099 2.164 -0.061 719 HG13 VAL 87 3HG1 VAL 87 -0.131 1.596 -1.418 720 HG21 VAL 87 3HG2 VAL 87 -3.960 0.972 -1.351 721 HG22 VAL 87 1HG2 VAL 87 -2.926 1.320 -2.731 722 HG23 VAL 87 2HG2 VAL 87 -2.868 2.350 -1.307 723 H HIS 88 H HIS 88 1.032 -0.718 -2.573 724 HA HIS 88 HA HIS 88 1.552 -2.826 -0.574 725 HB2 HIS 88 2HB HIS 88 1.613 -3.982 -2.649 726 HB3 HIS 88 1HB HIS 88 2.413 -2.631 -3.449 727 HD1 HIS 88 1HD HIS 88 4.223 -4.404 -4.231 728 HD2 HIS 88 2HD HIS 88 4.131 -3.773 -0.089 729 HE1 HIS 88 1HE HIS 88 6.371 -5.356 -3.300 730 HE2 HIS 88 2HE HIS 88 6.377 -4.990 -0.834 731 H LEU 89 H LEU 89 2.886 -2.133 0.907 732 HA LEU 89 HA LEU 89 4.904 -0.109 0.166 733 HB2 LEU 89 2HB LEU 89 3.123 0.940 1.453 734 HB3 LEU 89 1HB LEU 89 3.302 -0.266 2.723 735 HG LEU 89 HG LEU 89 5.751 1.260 1.894 736 HD11 LEU 89 1HD1 LEU 89 4.298 2.587 4.054 737 HD12 LEU 89 2HD1 LEU 89 3.460 2.706 2.518 738 HD13 LEU 89 3HD1 LEU 89 5.131 3.256 2.661 739 HD21 LEU 89 3HD2 LEU 89 5.049 -0.571 3.953 740 HD22 LEU 89 1HD2 LEU 89 5.222 0.996 4.738 741 HD23 LEU 89 2HD2 LEU 89 6.539 0.331 3.785 742 H GLU 90 H GLU 90 6.912 -0.442 0.803 743 HA GLU 90 HA GLU 90 7.372 -2.598 2.717 744 HB2 GLU 90 2HB GLU 90 8.912 -2.021 0.226 745 HB3 GLU 90 1HB GLU 90 9.588 -2.974 1.535 746 HG2 GLU 90 2HG GLU 90 7.694 -4.518 1.433 747 HG3 GLU 90 1HG GLU 90 6.962 -3.580 0.144 748 H ALA 91 H ALA 91 8.435 -2.098 4.419 749 HA ALA 91 HA ALA 91 10.226 0.212 4.384 750 HB1 ALA 91 1HB ALA 91 9.306 1.177 6.334 751 HB2 ALA 91 2HB ALA 91 8.423 -0.277 6.743 752 HB3 ALA 91 3HB ALA 91 7.886 0.727 5.397 753 H LYS 92 H LYS 92 11.888 0.100 6.011 754 HA LYS 92 HA LYS 92 12.087 -2.597 7.154 755 HB2 LYS 92 2HB LYS 92 14.449 -2.689 6.911 756 HB3 LYS 92 1HB LYS 92 13.768 -2.314 5.336 757 HG2 LYS 92 2HG LYS 92 14.292 0.101 5.699 758 HG3 LYS 92 1HG LYS 92 14.975 -0.281 7.273 759 HD2 LYS 92 2HD LYS 92 16.666 -1.733 6.206 760 HD3 LYS 92 1HD LYS 92 16.023 -1.340 4.617 761 HE2 LYS 92 2HE LYS 92 16.506 1.061 5.019 762 HE3 LYS 92 1HE LYS 92 17.184 0.666 6.583 763 HZ1 LYS 92 3HZ LYS 92 18.685 -0.950 5.149 764 HZ2 LYS 92 1HZ LYS 92 19.034 0.680 5.333 765 HZ3 LYS 92 2HZ LYS 92 18.297 0.150 3.917 766 H GLU 93 H GLU 93 12.756 -2.845 9.200 767 HA GLU 93 HA GLU 93 12.518 -0.571 10.982 768 HB2 GLU 93 2HB GLU 93 13.292 -3.451 11.500 769 HB3 GLU 93 1HB GLU 93 12.997 -2.249 12.738 770 HG2 GLU 93 2HG GLU 93 10.636 -1.990 11.974 771 HG3 GLU 93 1HG GLU 93 10.969 -3.140 10.676 772 H SER 94 H SER 94 14.174 0.297 12.261 773 HA SER 94 HA SER 94 16.884 0.090 11.235 774 HB2 SER 94 2HB SER 94 15.776 1.482 13.693 775 HB3 SER 94 1HB SER 94 17.428 1.604 13.098 776 HG SER 94 HG SER 94 15.646 2.061 11.110 777 H LYS 95 H LYS 95 16.007 -0.056 14.643 778 HA LYS 95 HA LYS 95 16.590 -2.851 14.770 779 HB2 LYS 95 2HB LYS 95 18.840 -1.416 15.129 780 HB3 LYS 95 1HB LYS 95 18.189 -1.293 16.762 781 HG2 LYS 95 2HG LYS 95 19.522 -3.265 16.755 782 HG3 LYS 95 1HG LYS 95 17.844 -3.807 16.714 783 HD2 LYS 95 2HD LYS 95 18.240 -3.671 14.052 784 HD3 LYS 95 1HD LYS 95 19.908 -3.883 14.542 785 HE2 LYS 95 2HE LYS 95 17.685 -5.676 15.492 786 HE3 LYS 95 1HE LYS 95 18.678 -6.041 14.077 787 HZ1 LYS 95 3HZ LYS 95 19.828 -5.533 16.793 788 HZ2 LYS 95 1HZ LYS 95 20.619 -6.159 15.443 789 HZ3 LYS 95 2HZ LYS 95 19.467 -7.075 16.212 790 H GLN 96 H GLN 96 16.328 -0.029 16.843 791 HA GLN 96 HA GLN 96 14.395 -1.484 18.532 792 HB2 GLN 96 2HB GLN 96 15.700 1.138 19.233 793 HB3 GLN 96 1HB GLN 96 15.024 -0.082 20.286 794 HG2 GLN 96 2HG GLN 96 17.040 -1.012 20.511 795 HG3 GLN 96 1HG GLN 96 17.043 -1.458 18.819 796 HE21 GLN 96 1HE2 GLN 96 19.429 -1.046 18.898 797 HE22 GLN 96 2HE2 GLN 96 20.011 0.538 18.815 798 H ASN 97 H ASN 97 14.607 0.976 16.191 799 HA ASN 97 HA ASN 97 12.613 2.743 17.135 800 HB2 ASN 97 2HB ASN 97 14.257 3.351 15.342 801 HB3 ASN 97 1HB ASN 97 13.342 2.280 14.272 802 HD21 ASN 97 1HD2 ASN 97 13.265 4.690 13.239 803 HD22 ASN 97 2HD2 ASN 97 11.847 5.535 13.615 804 H TYR 98 H TYR 98 10.551 2.801 16.967 805 HA TYR 98 HA TYR 98 8.946 0.517 16.460 806 HB2 TYR 98 2HB TYR 98 8.134 3.433 16.590 807 HB3 TYR 98 1HB TYR 98 7.078 2.042 16.752 808 HD1 TYR 98 1HD TYR 98 9.906 3.848 18.309 809 HD2 TYR 98 2HD TYR 98 6.936 0.772 18.817 810 HE1 TYR 98 1HE TYR 98 10.415 3.757 20.713 811 HE2 TYR 98 2HE TYR 98 7.447 0.673 21.227 812 HH TYR 98 HH TYR 98 9.827 1.401 22.639 813 H GLN 99 H GLN 99 9.583 3.502 14.640 814 HA GLN 99 HA GLN 99 7.851 2.651 12.489 815 HB2 GLN 99 2HB GLN 99 9.352 5.211 12.958 816 HB3 GLN 99 1HB GLN 99 8.271 4.958 11.606 817 HG2 GLN 99 2HG GLN 99 6.971 4.189 14.124 818 HG3 GLN 99 1HG GLN 99 7.552 5.842 14.174 819 HE21 GLN 99 1HE2 GLN 99 6.491 4.256 11.174 820 HE22 GLN 99 2HE2 GLN 99 5.130 5.236 10.961 821 HA PRO 100 HA PRO 100 11.498 1.134 10.212 822 HB2 PRO 100 2HB PRO 100 10.146 -0.068 8.248 823 HB3 PRO 100 1HB PRO 100 10.224 -0.767 9.880 824 HG2 PRO 100 2HG PRO 100 8.026 0.814 8.624 825 HG3 PRO 100 1HG PRO 100 7.924 -0.655 9.611 826 HD2 PRO 100 2HD PRO 100 7.472 1.827 10.650 827 HD3 PRO 100 1HD PRO 100 8.136 0.490 11.620 828 H ASP 101 H ASP 101 12.458 1.667 8.206 829 HA ASP 101 HA ASP 101 11.749 4.257 7.087 830 HB2 ASP 101 2HB ASP 101 14.159 3.310 7.403 831 HB3 ASP 101 1HB ASP 101 13.785 2.350 5.996 832 H PHE 102 H PHE 102 10.326 4.516 5.398 833 HA PHE 102 HA PHE 102 9.169 2.309 4.033 834 HB2 PHE 102 2HB PHE 102 9.154 5.252 3.404 835 HB3 PHE 102 1HB PHE 102 8.113 4.051 2.644 836 HD1 PHE 102 1HD PHE 102 6.702 2.565 4.191 837 HD2 PHE 102 2HD PHE 102 8.468 6.261 5.435 838 HE1 PHE 102 1HE PHE 102 5.104 2.689 6.077 839 HE2 PHE 102 2HE PHE 102 6.885 6.398 7.313 840 HZ PHE 102 HZ PHE 102 5.185 4.592 7.639 841 H ILE 103 H ILE 103 10.661 1.126 2.911 842 HA ILE 103 HA ILE 103 12.646 2.287 1.225 843 HB ILE 103 HB ILE 103 11.610 -0.533 1.472 844 HG12 ILE 103 2HG1 ILE 103 14.253 0.712 2.299 845 HG13 ILE 103 1HG1 ILE 103 12.892 0.533 3.400 846 HG21 ILE 103 1HG2 ILE 103 13.931 -0.922 0.268 847 HG22 ILE 103 2HG2 ILE 103 13.656 0.717 -0.335 848 HG23 ILE 103 3HG2 ILE 103 12.492 -0.558 -0.686 849 HD11 ILE 103 3HD1 ILE 103 14.461 -1.636 2.020 850 HD12 ILE 103 1HD1 ILE 103 12.910 -1.948 2.825 851 HD13 ILE 103 2HD1 ILE 103 14.280 -1.317 3.745 852 H ASN 104 H ASN 104 9.524 0.725 0.633 853 HA ASN 104 HA ASN 104 9.405 2.005 -2.035 854 HB2 ASN 104 2HB ASN 104 10.275 -0.368 -2.185 855 HB3 ASN 104 1HB ASN 104 8.678 -0.872 -1.633 856 HD21 ASN 104 1HD2 ASN 104 9.602 -1.532 -4.246 857 HD22 ASN 104 2HD2 ASN 104 8.633 -0.733 -5.387 858 H MET 105 H MET 105 7.228 2.214 -2.768 859 HA MET 105 HA MET 105 5.055 1.040 -1.484 860 HB2 MET 105 2HB MET 105 4.487 2.379 0.237 861 HB3 MET 105 1HB MET 105 5.992 3.249 -0.000 862 HG2 MET 105 2HG MET 105 4.243 4.872 -0.028 863 HG3 MET 105 1HG MET 105 4.764 4.701 -1.683 864 HE1 MET 105 3HE MET 105 2.137 2.289 0.494 865 HE2 MET 105 1HE MET 105 0.937 3.579 0.413 866 HE3 MET 105 2HE MET 105 2.531 3.906 1.063 867 H TYR 106 H TYR 106 3.512 0.858 -2.935 868 HA TYR 106 HA TYR 106 2.990 3.066 -4.765 869 HB2 TYR 106 2HB TYR 106 3.152 1.671 -6.776 870 HB3 TYR 106 1HB TYR 106 4.686 1.762 -5.923 871 HD1 TYR 106 2HD TYR 106 5.610 -0.153 -4.728 872 HD2 TYR 106 1HD TYR 106 1.860 -0.421 -6.817 873 HE1 TYR 106 2HE TYR 106 5.713 -2.600 -4.597 874 HE2 TYR 106 1HE TYR 106 1.962 -2.873 -6.687 875 HH TYR 106 HH TYR 106 4.265 -4.605 -6.392 876 H VAL 107 H VAL 107 1.116 2.787 -6.060 877 HA VAL 107 HA VAL 107 -0.936 1.136 -4.707 878 HB VAL 107 HB VAL 107 -1.092 3.848 -6.037 879 HG11 VAL 107 1HG1 VAL 107 -3.121 3.061 -6.711 880 HG12 VAL 107 2HG1 VAL 107 -3.555 3.588 -5.090 881 HG13 VAL 107 3HG1 VAL 107 -3.257 1.879 -5.404 882 HG21 VAL 107 3HG2 VAL 107 -1.615 2.876 -3.211 883 HG22 VAL 107 1HG2 VAL 107 -1.982 4.488 -3.810 884 HG23 VAL 107 2HG2 VAL 107 -0.307 3.924 -3.736 885 H ASP 108 H ASP 108 -1.711 -0.426 -5.924 886 HA ASP 108 HA ASP 108 -1.299 -0.392 -8.840 887 HB2 ASP 108 2HB ASP 108 -0.518 -2.356 -7.335 888 HB3 ASP 108 1HB ASP 108 -2.213 -2.724 -7.174 889 H VAL 109 H VAL 109 -2.932 0.479 -9.905 890 HA VAL 109 HA VAL 109 -5.669 -0.052 -8.973 891 HB VAL 109 HB VAL 109 -4.822 2.216 -10.768 892 HG11 VAL 109 1HG1 VAL 109 -7.223 1.912 -8.932 893 HG12 VAL 109 2HG1 VAL 109 -7.246 1.581 -10.676 894 HG13 VAL 109 3HG1 VAL 109 -6.923 3.202 -10.093 895 HG21 VAL 109 3HG2 VAL 109 -5.240 3.421 -8.367 896 HG22 VAL 109 1HG2 VAL 109 -3.646 2.896 -8.906 897 HG23 VAL 109 2HG2 VAL 109 -4.589 1.886 -7.811 898 HA PRO 110 HA PRO 110 -5.987 -2.449 -12.717 899 HB2 PRO 110 2HB PRO 110 -8.677 -2.752 -12.793 900 HB3 PRO 110 1HB PRO 110 -7.636 -3.636 -11.655 901 HG2 PRO 110 2HG PRO 110 -9.250 -1.160 -11.154 902 HG3 PRO 110 1HG PRO 110 -9.069 -2.615 -10.151 903 HD2 PRO 110 2HD PRO 110 -7.710 -0.380 -9.613 904 HD3 PRO 110 1HD PRO 110 -7.002 -1.984 -9.336 905 H GLY 111 H GLY 111 -6.365 -1.972 -14.868 906 HA2 GLY 111 2HA GLY 111 -7.187 -0.870 -16.756 907 HA3 GLY 111 1HA GLY 111 -8.146 0.173 -15.722 908 H GLU 112 H GLU 112 -5.928 0.963 -14.026 909 HA GLU 112 HA GLU 112 -4.564 2.843 -15.847 910 HB2 GLU 112 2HB GLU 112 -4.966 2.944 -12.842 911 HB3 GLU 112 1HB GLU 112 -4.130 4.148 -13.818 912 HG2 GLU 112 2HG GLU 112 -7.032 3.357 -14.165 913 HG3 GLU 112 1HG GLU 112 -6.486 4.795 -13.332 914 H LYS 113 H LYS 113 -2.316 3.454 -14.919 915 HA LYS 113 HA LYS 113 -0.766 1.026 -14.560 916 HB2 LYS 113 2HB LYS 113 -0.059 3.923 -14.972 917 HB3 LYS 113 1HB LYS 113 1.075 2.829 -14.168 918 HG2 LYS 113 2HG LYS 113 1.587 2.772 -16.493 919 HG3 LYS 113 1HG LYS 113 0.864 1.223 -16.060 920 HD2 LYS 113 2HD LYS 113 -1.332 2.091 -16.901 921 HD3 LYS 113 1HD LYS 113 -0.505 3.550 -17.454 922 HE2 LYS 113 2HE LYS 113 0.202 0.736 -18.288 923 HE3 LYS 113 1HE LYS 113 -0.779 1.852 -19.230 924 HZ1 LYS 113 3HZ LYS 113 1.531 3.279 -18.588 925 HZ2 LYS 113 1HZ LYS 113 1.172 2.596 -20.078 926 HZ3 LYS 113 2HZ LYS 113 2.079 1.752 -18.941 927 H ARG 114 H ARG 114 0.460 0.629 -12.615 928 HA ARG 114 HA ARG 114 -0.814 1.587 -10.234 929 HB2 ARG 114 2HB ARG 114 0.955 0.338 -9.028 930 HB3 ARG 114 1HB ARG 114 0.075 -0.670 -10.199 931 HG2 ARG 114 2HG ARG 114 2.371 0.585 -11.465 932 HG3 ARG 114 1HG ARG 114 2.844 -0.259 -9.981 933 HD2 ARG 114 2HD ARG 114 1.309 -1.388 -12.289 934 HD3 ARG 114 1HD ARG 114 2.939 -1.811 -11.860 935 HE ARG 114 HE ARG 114 0.478 -2.753 -10.639 936 HH11 ARG 114 1HH2 ARG 114 3.940 -2.175 -9.988 937 HH12 ARG 114 2HH2 ARG 114 3.991 -3.365 -8.790 938 HH21 ARG 114 1HH1 ARG 114 0.605 -4.242 -9.023 939 HH22 ARG 114 2HH1 ARG 114 2.095 -4.581 -8.205 940 H TYR 115 H TYR 115 -0.122 3.083 -8.837 941 HA TYR 115 HA TYR 115 1.939 4.921 -9.846 942 HB2 TYR 115 2HB TYR 115 -0.192 5.900 -9.378 943 HB3 TYR 115 1HB TYR 115 -0.186 5.287 -7.723 944 HD1 TYR 115 1HD TYR 115 1.584 7.581 -10.102 945 HD2 TYR 115 2HD TYR 115 0.970 6.462 -5.997 946 HE1 TYR 115 1HE TYR 115 2.820 9.585 -9.364 947 HE2 TYR 115 2HE TYR 115 2.201 8.472 -5.271 948 HH TYR 115 HH TYR 115 2.669 11.009 -6.847 949 H TYR 116 H TYR 116 3.884 5.002 -8.929 950 HA TYR 116 HA TYR 116 4.282 3.593 -6.373 951 HB2 TYR 116 2HB TYR 116 6.238 4.561 -8.472 952 HB3 TYR 116 1HB TYR 116 6.716 3.871 -6.922 953 HD1 TYR 116 1HD TYR 116 4.543 3.104 -9.899 954 HD2 TYR 116 2HD TYR 116 6.999 1.509 -6.739 955 HE1 TYR 116 1HE TYR 116 4.302 0.877 -10.847 956 HE2 TYR 116 2HE TYR 116 6.736 -0.746 -7.697 957 HH TYR 116 HH TYR 116 6.133 -1.519 -10.422 958 H LEU 117 H LEU 117 3.624 4.896 -4.875 959 HA LEU 117 HA LEU 117 4.021 7.694 -4.769 960 HB2 LEU 117 2HB LEU 117 2.239 6.617 -3.534 961 HB3 LEU 117 1HB LEU 117 3.381 5.696 -2.580 962 HG LEU 117 HG LEU 117 4.274 7.801 -1.609 963 HD11 LEU 117 1HD1 LEU 117 3.857 9.348 -3.472 964 HD12 LEU 117 2HD1 LEU 117 3.055 9.884 -2.002 965 HD13 LEU 117 3HD1 LEU 117 2.106 9.119 -3.270 966 HD21 LEU 117 3HD2 LEU 117 1.811 8.544 -0.758 967 HD22 LEU 117 1HD2 LEU 117 2.670 7.134 -0.139 968 HD23 LEU 117 2HD2 LEU 117 1.441 6.949 -1.396 969 H ILE 118 H ILE 118 5.794 4.958 -3.435 970 HA ILE 118 HA ILE 118 8.076 6.772 -2.952 971 HB ILE 118 HB ILE 118 7.276 4.347 -1.326 972 HG12 ILE 118 2HG1 ILE 118 7.449 7.261 -0.472 973 HG13 ILE 118 1HG1 ILE 118 5.936 6.467 -0.900 974 HG21 ILE 118 1HG2 ILE 118 9.707 4.498 -1.438 975 HG22 ILE 118 2HG2 ILE 118 9.201 5.086 0.129 976 HG23 ILE 118 3HG2 ILE 118 9.657 6.233 -1.124 977 HD11 ILE 118 3HD1 ILE 118 7.213 4.726 0.913 978 HD12 ILE 118 1HD1 ILE 118 5.799 5.735 1.226 979 HD13 ILE 118 2HD1 ILE 118 7.421 6.339 1.576 980 H LYS 119 H LYS 119 9.798 6.210 -4.162 981 HA LYS 119 HA LYS 119 9.683 3.680 -5.607 982 HB2 LYS 119 2HB LYS 119 11.960 5.641 -5.784 983 HB3 LYS 119 1HB LYS 119 11.404 4.507 -7.004 984 HG2 LYS 119 2HG LYS 119 9.947 6.988 -6.058 985 HG3 LYS 119 1HG LYS 119 10.743 6.775 -7.615 986 HD2 LYS 119 2HD LYS 119 9.136 4.714 -7.888 987 HD3 LYS 119 1HD LYS 119 8.189 5.498 -6.626 988 HE2 LYS 119 2HE LYS 119 8.667 6.358 -9.443 989 HE3 LYS 119 1HE LYS 119 7.217 6.502 -8.465 990 HZ1 LYS 119 3HZ LYS 119 8.966 8.159 -7.175 991 HZ2 LYS 119 1HZ LYS 119 7.830 8.638 -8.310 992 HZ3 LYS 119 2HZ LYS 119 9.406 8.361 -8.781 993 HA PRO 120 HA PRO 120 12.361 1.638 -2.731 994 HB2 PRO 120 2HB PRO 120 13.304 -0.285 -4.310 995 HB3 PRO 120 1HB PRO 120 11.690 -0.351 -3.582 996 HG2 PRO 120 2HG PRO 120 12.433 0.330 -6.384 997 HG3 PRO 120 1HG PRO 120 11.000 -0.502 -5.720 998 HD2 PRO 120 2HD PRO 120 10.966 2.094 -6.548 999 HD3 PRO 120 1HD PRO 120 9.860 1.442 -5.318 1000 H LYS 121 H LYS 121 14.613 1.101 -2.432 1001 HA LYS 121 HA LYS 121 16.280 3.211 -3.276 1002 HB2 LYS 121 2HB LYS 121 17.382 0.642 -2.185 1003 HB3 LYS 121 1HB LYS 121 17.933 2.288 -1.899 1004 HG2 LYS 121 2HG LYS 121 15.593 0.833 -0.796 1005 HG3 LYS 121 1HG LYS 121 16.822 1.721 0.119 1006 HD2 LYS 121 2HD LYS 121 15.685 3.748 -1.425 1007 HD3 LYS 121 1HD LYS 121 14.331 2.704 -1.203 1008 HE2 LYS 121 2HE LYS 121 14.093 3.989 0.667 1009 HE3 LYS 121 1HE LYS 121 15.029 2.656 1.332 1010 HZ1 LYS 121 3HZ LYS 121 15.701 5.400 1.071 1011 HZ2 LYS 121 1HZ LYS 121 16.893 4.476 0.328 1012 HZ3 LYS 121 2HZ LYS 121 16.511 4.216 1.949 1013 H LEU 122 H LEU 122 15.595 2.690 -5.564 1014 HA LEU 122 HA LEU 122 16.838 0.617 -6.931 1015 HB2 LEU 122 2HB LEU 122 15.938 3.338 -7.920 1016 HB3 LEU 122 1HB LEU 122 16.440 2.027 -8.980 1017 HG LEU 122 HG LEU 122 14.171 1.836 -6.968 1018 HD11 LEU 122 1HD1 LEU 122 14.050 2.094 -9.973 1019 HD12 LEU 122 2HD1 LEU 122 13.624 3.356 -8.821 1020 HD13 LEU 122 3HD1 LEU 122 12.682 1.864 -8.892 1021 HD21 LEU 122 3HD2 LEU 122 15.445 -0.098 -8.896 1022 HD22 LEU 122 1HD2 LEU 122 13.716 -0.209 -8.581 1023 HD23 LEU 122 2HD2 LEU 122 14.843 -0.379 -7.256 1024 H HIS 123 H HIS 123 17.783 3.907 -6.162 1025 HA HIS 123 HA HIS 123 20.535 3.299 -7.008 1026 HB2 HIS 123 2HB HIS 123 20.654 5.932 -7.179 1027 HB3 HIS 123 1HB HIS 123 20.034 4.945 -8.497 1028 HD1 HIS 123 1HD HIS 123 17.467 4.885 -8.863 1029 HD2 HIS 123 2HD HIS 123 18.688 7.531 -5.886 1030 HE1 HIS 123 1HE HIS 123 15.445 6.364 -8.324 1031 HE2 HIS 123 2HE HIS 123 16.192 7.984 -6.508 1032 HA PRO 124 HA PRO 124 20.427 4.250 -2.450 1033 HB2 PRO 124 2HB PRO 124 21.881 2.111 -1.687 1034 HB3 PRO 124 1HB PRO 124 20.128 2.035 -1.870 1035 HG2 PRO 124 2HG PRO 124 22.218 0.874 -3.565 1036 HG3 PRO 124 1HG PRO 124 20.525 0.408 -3.386 1037 HD2 PRO 124 2HD PRO 124 21.657 1.936 -5.508 1038 HD3 PRO 124 1HD PRO 124 19.946 1.575 -5.290 1039 H VAL 125 H VAL 125 21.748 5.995 -3.289 1040 HA VAL 125 HA VAL 125 23.661 7.223 -3.452 1041 HB VAL 125 HB VAL 125 25.307 4.835 -2.582 1042 HG11 VAL 125 1HG1 VAL 125 26.516 6.849 -3.328 1043 HG12 VAL 125 2HG1 VAL 125 26.699 6.600 -1.588 1044 HG13 VAL 125 3HG1 VAL 125 25.597 7.822 -2.178 1045 HG21 VAL 125 3HG2 VAL 125 23.639 4.874 -0.884 1046 HG22 VAL 125 1HG2 VAL 125 23.510 6.633 -0.920 1047 HG23 VAL 125 2HG2 VAL 125 24.938 5.850 -0.239 1048 H SER 126 H SER 126 24.464 3.888 -4.272 1049 HA SER 126 HA SER 126 25.490 4.714 -6.909 1050 HB2 SER 126 2HB SER 126 25.678 1.937 -5.763 1051 HB3 SER 126 1HB SER 126 26.695 2.722 -6.953 1052 HG SER 126 HG SER 126 27.459 4.096 -5.376 1053 H ASN 127 H ASN 127 25.025 2.546 -8.434 1054 HA ASN 127 HA ASN 127 22.412 1.460 -8.256 1055 HB2 ASN 127 2HB ASN 127 21.712 2.861 -10.456 1056 HB3 ASN 127 1HB ASN 127 21.305 3.365 -8.832 1057 HD21 ASN 127 1HD2 ASN 127 24.515 3.497 -10.276 1058 HD22 ASN 127 2HD2 ASN 127 24.702 5.187 -10.221 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -3.127 -4.608 19.529 2 HA2 GLY 1 2HA GLY 1 -4.232 -2.347 19.205 3 HA3 GLY 1 1HA GLY 1 -3.762 -2.051 20.870 4 H ALA 2 H ALA 2 -2.149 -0.681 20.875 5 HA ALA 2 HA ALA 2 -0.295 -0.336 18.739 6 HB1 ALA 2 1HB ALA 2 0.953 1.088 20.475 7 HB2 ALA 2 2HB ALA 2 -0.415 0.747 21.547 8 HB3 ALA 2 3HB ALA 2 -0.679 1.572 20.023 9 H MET 3 H MET 3 -0.289 -3.014 19.449 10 HA MET 3 HA MET 3 2.104 -3.642 21.015 11 HB2 MET 3 2HB MET 3 0.243 -5.460 19.425 12 HB3 MET 3 1HB MET 3 1.534 -5.951 20.514 13 HG2 MET 3 2HG MET 3 -0.855 -4.295 21.357 14 HG3 MET 3 1HG MET 3 -0.695 -6.027 21.599 15 HE1 MET 3 3HE MET 3 -1.247 -4.968 24.212 16 HE2 MET 3 1HE MET 3 -1.007 -3.346 23.539 17 HE3 MET 3 2HE MET 3 -0.153 -3.829 24.993 18 H GLY 4 H GLY 4 2.930 -2.014 19.096 19 HA2 GLY 4 2HA GLY 4 4.609 -1.907 17.514 20 HA3 GLY 4 1HA GLY 4 4.717 -3.661 17.516 21 H SER 5 H SER 5 1.730 -1.885 17.042 22 HA SER 5 HA SER 5 0.915 -3.262 14.750 23 HB2 SER 5 2HB SER 5 -0.229 -0.597 15.164 24 HB3 SER 5 1HB SER 5 -0.990 -2.185 15.215 25 HG SER 5 HG SER 5 -0.784 -2.167 17.329 26 H GLY 6 H GLY 6 3.394 -2.653 13.972 27 HA2 GLY 6 2HA GLY 6 3.824 -0.200 12.722 28 HA3 GLY 6 1HA GLY 6 4.598 -1.699 12.230 29 H ASP 7 H ASP 7 2.565 -3.212 11.273 30 HA ASP 7 HA ASP 7 2.046 -2.189 8.687 31 HB2 ASP 7 2HB ASP 7 0.123 -3.886 8.751 32 HB3 ASP 7 1HB ASP 7 1.769 -4.506 8.882 33 H THR 8 H THR 8 0.055 -2.369 11.491 34 HA THR 8 HA THR 8 -2.221 -1.090 10.506 35 HB THR 8 HB THR 8 -1.192 -1.085 13.340 36 HG1 THR 8 1HG THR 8 -1.277 -3.219 12.136 37 HG21 THR 8 3HG2 THR 8 -3.481 -0.905 13.978 38 HG22 THR 8 1HG2 THR 8 -4.046 -1.160 12.323 39 HG23 THR 8 2HG2 THR 8 -3.200 0.328 12.773 40 H GLN 9 H GLN 9 0.553 0.205 12.310 41 HA GLN 9 HA GLN 9 -0.279 2.925 12.309 42 HB2 GLN 9 2HB GLN 9 2.284 1.466 12.674 43 HB3 GLN 9 1HB GLN 9 2.362 3.208 12.468 44 HG2 GLN 9 2HG GLN 9 0.394 2.085 14.442 45 HG3 GLN 9 1HG GLN 9 2.117 2.074 14.809 46 HE21 GLN 9 1HE2 GLN 9 0.787 4.658 12.793 47 HE22 GLN 9 2HE2 GLN 9 0.986 5.894 13.928 48 H LEU 10 H LEU 10 1.960 1.074 10.281 49 HA LEU 10 HA LEU 10 2.683 3.191 8.613 50 HB2 LEU 10 2HB LEU 10 2.669 0.246 8.085 51 HB3 LEU 10 1HB LEU 10 3.445 1.445 7.051 52 HG LEU 10 HG LEU 10 4.129 0.937 9.986 53 HD11 LEU 10 1HD1 LEU 10 4.843 -0.628 7.929 54 HD12 LEU 10 2HD1 LEU 10 5.791 -0.352 9.388 55 HD13 LEU 10 3HD1 LEU 10 6.149 0.569 7.914 56 HD21 LEU 10 3HD2 LEU 10 6.114 2.441 8.577 57 HD22 LEU 10 1HD2 LEU 10 5.176 2.897 9.984 58 HD23 LEU 10 2HD2 LEU 10 4.575 3.267 8.376 59 H PHE 11 H PHE 11 0.131 0.835 8.435 60 HA PHE 11 HA PHE 11 -0.854 1.310 5.880 61 HB2 PHE 11 2HB PHE 11 -1.703 -0.450 7.115 62 HB3 PHE 11 1HB PHE 11 -2.183 0.548 8.483 63 HD1 PHE 11 1HD PHE 11 -2.948 -0.329 4.958 64 HD2 PHE 11 2HD PHE 11 -4.236 1.830 8.446 65 HE1 PHE 11 1HE PHE 11 -5.172 0.039 3.930 66 HE2 PHE 11 2HE PHE 11 -6.438 2.189 7.421 67 HZ PHE 11 HZ PHE 11 -6.919 1.307 5.181 68 H ASN 12 H ASN 12 -1.583 2.907 8.962 69 HA ASN 12 HA ASN 12 -3.426 4.855 7.989 70 HB2 ASN 12 2HB ASN 12 -1.484 4.939 10.311 71 HB3 ASN 12 1HB ASN 12 -2.691 6.167 10.001 72 HD21 ASN 12 1HD2 ASN 12 -2.221 3.557 11.910 73 HD22 ASN 12 2HD2 ASN 12 -3.829 3.009 12.079 74 H ARG 13 H ARG 13 0.072 4.797 8.393 75 HA ARG 13 HA ARG 13 0.509 7.473 7.502 76 HB2 ARG 13 2HB ARG 13 2.421 5.124 7.407 77 HB3 ARG 13 1HB ARG 13 2.842 6.828 7.318 78 HG2 ARG 13 2HG ARG 13 1.850 7.193 9.609 79 HG3 ARG 13 1HG ARG 13 1.535 5.493 9.719 80 HD2 ARG 13 2HD ARG 13 3.508 5.621 10.821 81 HD3 ARG 13 1HD ARG 13 4.065 5.194 9.237 82 HE ARG 13 HE ARG 13 3.894 8.025 9.312 83 HH11 ARG 13 1HH2 ARG 13 5.853 5.426 10.582 84 HH12 ARG 13 2HH2 ARG 13 7.234 6.422 10.776 85 HH21 ARG 13 1HH1 ARG 13 5.746 9.304 9.570 86 HH22 ARG 13 2HH1 ARG 13 7.181 8.626 10.213 87 H ALA 14 H ALA 14 0.733 4.331 5.890 88 HA ALA 14 HA ALA 14 1.436 5.317 3.322 89 HB1 ALA 14 1HB ALA 14 0.171 2.691 4.137 90 HB2 ALA 14 2HB ALA 14 1.881 3.026 3.874 91 HB3 ALA 14 3HB ALA 14 0.764 3.066 2.518 92 H VAL 15 H VAL 15 -1.745 4.329 4.629 93 HA VAL 15 HA VAL 15 -3.122 4.739 2.250 94 HB VAL 15 HB VAL 15 -3.821 3.588 4.505 95 HG11 VAL 15 1HG1 VAL 15 -3.783 5.771 5.780 96 HG12 VAL 15 2HG1 VAL 15 -5.274 4.856 5.914 97 HG13 VAL 15 3HG1 VAL 15 -5.206 6.259 4.854 98 HG21 VAL 15 3HG2 VAL 15 -5.500 4.917 2.410 99 HG22 VAL 15 1HG2 VAL 15 -6.329 4.190 3.776 100 HG23 VAL 15 2HG2 VAL 15 -5.297 3.207 2.756 101 H SER 16 H SER 16 -2.342 6.960 4.867 102 HA SER 16 HA SER 16 -3.972 9.093 4.092 103 HB2 SER 16 2HB SER 16 -2.556 10.460 5.471 104 HB3 SER 16 1HB SER 16 -2.651 8.889 6.223 105 HG SER 16 HG SER 16 -0.551 8.393 5.245 106 H MET 17 H MET 17 -0.694 8.193 3.194 107 HA MET 17 HA MET 17 -0.229 10.461 1.593 108 HB2 MET 17 2HB MET 17 1.157 7.760 1.514 109 HB3 MET 17 1HB MET 17 1.712 9.252 0.755 110 HG2 MET 17 2HG MET 17 1.624 10.338 3.133 111 HG3 MET 17 1HG MET 17 1.360 8.738 3.677 112 HE1 MET 17 3HE MET 17 4.417 6.759 3.510 113 HE2 MET 17 1HE MET 17 3.132 6.603 2.304 114 HE3 MET 17 2HE MET 17 2.746 6.945 3.996 115 H VAL 18 H VAL 18 -1.300 7.156 0.771 116 HA VAL 18 HA VAL 18 -1.295 7.706 -2.015 117 HB VAL 18 HB VAL 18 -2.420 5.560 -2.295 118 HG11 VAL 18 1HG1 VAL 18 -0.114 5.424 -0.329 119 HG12 VAL 18 2HG1 VAL 18 0.063 5.728 -2.064 120 HG13 VAL 18 3HG1 VAL 18 -0.573 4.193 -1.501 121 HG21 VAL 18 3HG2 VAL 18 -3.594 4.626 -0.630 122 HG22 VAL 18 1HG2 VAL 18 -3.173 5.934 0.457 123 HG23 VAL 18 2HG2 VAL 18 -2.156 4.512 0.364 124 H GLU 19 H GLU 19 -3.940 7.671 0.380 125 HA GLU 19 HA GLU 19 -6.018 7.831 -1.490 126 HB2 GLU 19 2HB GLU 19 -5.901 9.089 1.283 127 HB3 GLU 19 1HB GLU 19 -7.306 8.884 0.238 128 HG2 GLU 19 2HG GLU 19 -7.177 6.481 0.400 129 HG3 GLU 19 1HG GLU 19 -5.682 6.572 1.294 130 H LYS 20 H LYS 20 -3.976 10.218 0.009 131 HA LYS 20 HA LYS 20 -5.471 12.391 -1.206 132 HB2 LYS 20 2HB LYS 20 -3.165 12.549 0.740 133 HB3 LYS 20 1HB LYS 20 -4.292 13.828 0.321 134 HG2 LYS 20 2HG LYS 20 -5.082 11.204 1.661 135 HG3 LYS 20 1HG LYS 20 -4.914 12.765 2.448 136 HD2 LYS 20 2HD LYS 20 -6.975 13.430 1.817 137 HD3 LYS 20 1HD LYS 20 -6.664 13.091 0.148 138 HE2 LYS 20 2HE LYS 20 -8.537 11.709 0.864 139 HE3 LYS 20 1HE LYS 20 -7.167 10.719 0.491 140 HZ1 LYS 20 3HZ LYS 20 -8.443 11.133 3.068 141 HZ2 LYS 20 1HZ LYS 20 -6.764 11.087 3.151 142 HZ3 LYS 20 2HZ LYS 20 -7.638 9.796 2.506 143 H ASN 21 H ASN 21 -3.045 10.549 -2.275 144 HA ASN 21 HA ASN 21 -1.324 12.583 -3.400 145 HB2 ASN 21 2HB ASN 21 -0.312 10.453 -2.999 146 HB3 ASN 21 1HB ASN 21 -1.585 9.621 -3.832 147 HD21 ASN 21 1HD2 ASN 21 1.572 10.570 -4.315 148 HD22 ASN 21 2HD2 ASN 21 1.576 10.667 -6.012 149 H LYS 22 H LYS 22 -1.961 13.830 -5.027 150 HA LYS 22 HA LYS 22 -4.352 13.667 -6.327 151 HB2 LYS 22 2HB LYS 22 -3.683 15.395 -7.740 152 HB3 LYS 22 1HB LYS 22 -2.781 15.684 -6.263 153 HG2 LYS 22 2HG LYS 22 -1.658 14.279 -8.747 154 HG3 LYS 22 1HG LYS 22 -1.433 15.961 -8.382 155 HD2 LYS 22 2HD LYS 22 -0.540 13.796 -6.417 156 HD3 LYS 22 1HD LYS 22 0.470 14.421 -7.697 157 HE2 LYS 22 2HE LYS 22 -0.752 16.150 -5.504 158 HE3 LYS 22 1HE LYS 22 0.902 15.606 -5.621 159 HZ1 LYS 22 3HZ LYS 22 -0.459 17.559 -7.372 160 HZ2 LYS 22 1HZ LYS 22 0.934 16.690 -7.886 161 HZ3 LYS 22 2HZ LYS 22 1.002 17.613 -6.490 162 H ASP 23 H ASP 23 -1.300 12.358 -7.569 163 HA ASP 23 HA ASP 23 -2.454 11.575 -10.054 164 HB2 ASP 23 2HB ASP 23 0.050 11.830 -9.518 165 HB3 ASP 23 1HB ASP 23 -0.061 10.233 -8.790 166 H ILE 24 H ILE 24 -1.839 9.929 -7.023 167 HA ILE 24 HA ILE 24 -2.954 7.429 -7.782 168 HB ILE 24 HB ILE 24 -2.625 8.717 -5.083 169 HG12 ILE 24 2HG1 ILE 24 -1.146 6.429 -6.403 170 HG13 ILE 24 1HG1 ILE 24 -0.587 8.105 -6.459 171 HG21 ILE 24 1HG2 ILE 24 -2.880 6.323 -4.292 172 HG22 ILE 24 2HG2 ILE 24 -3.564 5.958 -5.888 173 HG23 ILE 24 3HG2 ILE 24 -4.372 7.105 -4.812 174 HD11 ILE 24 3HD1 ILE 24 0.344 6.523 -4.578 175 HD12 ILE 24 1HD1 ILE 24 -1.219 6.784 -3.834 176 HD13 ILE 24 2HD1 ILE 24 -0.137 8.149 -4.119 177 H ARG 25 H ARG 25 -4.274 10.309 -6.245 178 HA ARG 25 HA ARG 25 -6.857 9.388 -5.791 179 HB2 ARG 25 2HB ARG 25 -5.777 12.049 -6.546 180 HB3 ARG 25 1HB ARG 25 -7.498 11.880 -6.397 181 HG2 ARG 25 2HG ARG 25 -7.098 10.984 -4.030 182 HG3 ARG 25 1HG ARG 25 -5.391 11.380 -4.237 183 HD2 ARG 25 2HD ARG 25 -6.548 13.195 -3.102 184 HD3 ARG 25 1HD ARG 25 -5.975 13.729 -4.696 185 HE ARG 25 HE ARG 25 -8.738 12.715 -4.400 186 HH11 ARG 25 1HH2 ARG 25 -6.593 15.427 -4.881 187 HH12 ARG 25 2HH2 ARG 25 -7.794 16.405 -5.613 188 HH21 ARG 25 1HH1 ARG 25 -10.359 14.062 -5.397 189 HH22 ARG 25 2HH1 ARG 25 -9.926 15.640 -5.888 190 H SER 26 H SER 26 -5.362 10.760 -8.635 191 HA SER 26 HA SER 26 -7.625 10.689 -10.348 192 HB2 SER 26 2HB SER 26 -4.700 10.466 -10.999 193 HB3 SER 26 1HB SER 26 -5.967 10.986 -12.119 194 HG SER 26 HG SER 26 -4.822 12.243 -9.844 195 H LEU 27 H LEU 27 -5.076 8.362 -9.600 196 HA LEU 27 HA LEU 27 -5.955 6.283 -11.384 197 HB2 LEU 27 2HB LEU 27 -4.470 6.052 -8.747 198 HB3 LEU 27 1HB LEU 27 -4.707 4.776 -9.913 199 HG LEU 27 HG LEU 27 -3.302 7.370 -10.606 200 HD11 LEU 27 1HD1 LEU 27 -1.309 6.506 -10.111 201 HD12 LEU 27 2HD1 LEU 27 -1.789 4.833 -10.446 202 HD13 LEU 27 3HD1 LEU 27 -2.224 5.594 -8.912 203 HD21 LEU 27 3HD2 LEU 27 -3.047 6.533 -12.730 204 HD22 LEU 27 1HD2 LEU 27 -4.456 5.558 -12.346 205 HD23 LEU 27 2HD2 LEU 27 -2.847 4.882 -12.180 206 H LEU 28 H LEU 28 -6.669 7.159 -8.063 207 HA LEU 28 HA LEU 28 -8.535 4.987 -7.652 208 HB2 LEU 28 2HB LEU 28 -8.035 7.520 -6.079 209 HB3 LEU 28 1HB LEU 28 -9.104 6.256 -5.545 210 HG LEU 28 HG LEU 28 -6.133 5.892 -6.086 211 HD11 LEU 28 1HD1 LEU 28 -6.036 5.604 -3.598 212 HD12 LEU 28 2HD1 LEU 28 -7.708 6.134 -3.513 213 HD13 LEU 28 3HD1 LEU 28 -6.465 7.247 -4.081 214 HD21 LEU 28 3HD2 LEU 28 -6.518 3.691 -4.928 215 HD22 LEU 28 1HD2 LEU 28 -7.392 3.798 -6.452 216 HD23 LEU 28 2HD2 LEU 28 -8.236 4.018 -4.917 217 H GLN 29 H GLN 29 -8.599 7.815 -9.380 218 HA GLN 29 HA GLN 29 -10.207 9.134 -10.282 219 HB2 GLN 29 2HB GLN 29 -12.026 6.779 -9.648 220 HB3 GLN 29 1HB GLN 29 -12.455 8.146 -10.666 221 HG2 GLN 29 2HG GLN 29 -10.150 6.264 -11.165 222 HG3 GLN 29 1HG GLN 29 -11.708 6.206 -11.991 223 HE21 GLN 29 1HE2 GLN 29 -8.950 6.797 -13.093 224 HE22 GLN 29 2HE2 GLN 29 -9.093 8.300 -13.862 225 H CYS 30 H CYS 30 -9.447 9.735 -7.853 226 HA CYS 30 HA CYS 30 -11.416 9.792 -5.872 227 HB2 CYS 30 2HB CYS 30 -8.819 10.339 -5.863 228 HB3 CYS 30 1HB CYS 30 -9.442 11.999 -5.852 229 HG CYS 30 HG CYS 30 -10.228 11.648 -3.468 230 H ASP 31 H ASP 31 -13.080 10.384 -7.577 231 HA ASP 31 HA ASP 31 -13.372 13.231 -8.132 232 HB2 ASP 31 2HB ASP 31 -15.266 10.945 -8.765 233 HB3 ASP 31 1HB ASP 31 -15.333 12.610 -9.348 234 H ASP 32 H ASP 32 -14.081 14.451 -6.539 235 HA ASP 32 HA ASP 32 -16.281 13.504 -4.807 236 HB2 ASP 32 2HB ASP 32 -14.158 15.579 -4.444 237 HB3 ASP 32 1HB ASP 32 -15.654 15.778 -3.580 238 H GLY 33 H GLY 33 -18.239 14.027 -5.586 239 HA2 GLY 33 2HA GLY 33 -19.783 15.907 -5.709 240 HA3 GLY 33 1HA GLY 33 -18.587 16.765 -6.671 241 H ILE 34 H ILE 34 -17.955 14.322 -8.234 242 HA ILE 34 HA ILE 34 -19.765 14.799 -10.342 243 HB ILE 34 HB ILE 34 -17.478 13.958 -10.698 244 HG12 ILE 34 2HG1 ILE 34 -18.027 12.285 -12.447 245 HG13 ILE 34 1HG1 ILE 34 -19.663 12.153 -11.819 246 HG21 ILE 34 1HG2 ILE 34 -16.887 11.663 -10.298 247 HG22 ILE 34 2HG2 ILE 34 -18.525 11.260 -9.849 248 HG23 ILE 34 3HG2 ILE 34 -17.550 12.282 -8.783 249 HD11 ILE 34 3HD1 ILE 34 -19.236 13.771 -13.810 250 HD12 ILE 34 1HD1 ILE 34 -18.505 14.829 -12.609 251 HD13 ILE 34 2HD1 ILE 34 -20.212 14.367 -12.476 252 H THR 35 H THR 35 -19.602 12.264 -7.974 253 HA THR 35 HA THR 35 -22.410 11.655 -8.515 254 HB THR 35 HB THR 35 -21.438 9.668 -9.379 255 HG1 THR 35 1HG THR 35 -21.892 9.375 -6.626 256 HG21 THR 35 3HG2 THR 35 -19.568 8.588 -7.691 257 HG22 THR 35 1HG2 THR 35 -19.209 10.306 -7.529 258 HG23 THR 35 2HG2 THR 35 -19.200 9.527 -9.109 259 H GLY 36 H GLY 36 -21.502 13.588 -6.876 260 HA2 GLY 36 2HA GLY 36 -21.825 14.338 -4.716 261 HA3 GLY 36 1HA GLY 36 -22.141 12.663 -4.206 262 H LYS 37 H LYS 37 -20.575 13.233 -2.458 263 HA LYS 37 HA LYS 37 -17.807 12.930 -3.451 264 HB2 LYS 37 2HB LYS 37 -18.842 13.756 -0.726 265 HB3 LYS 37 1HB LYS 37 -17.173 13.436 -1.140 266 HG2 LYS 37 2HG LYS 37 -17.318 15.794 -1.402 267 HG3 LYS 37 1HG LYS 37 -17.396 15.162 -3.033 268 HD2 LYS 37 2HD LYS 37 -19.069 16.827 -2.880 269 HD3 LYS 37 1HD LYS 37 -19.959 15.332 -2.880 270 HE2 LYS 37 2HE LYS 37 -20.947 16.465 -1.086 271 HE3 LYS 37 1HE LYS 37 -19.727 15.529 -0.235 272 HZ1 LYS 37 3HZ LYS 37 -20.039 18.197 -0.139 273 HZ2 LYS 37 1HZ LYS 37 -18.715 18.050 -1.198 274 HZ3 LYS 37 2HZ LYS 37 -18.701 17.338 0.366 275 H GLU 38 H GLU 38 -17.203 10.943 -3.493 276 HA GLU 38 HA GLU 38 -18.605 8.987 -1.919 277 HB2 GLU 38 2HB GLU 38 -16.809 8.744 -4.265 278 HB3 GLU 38 1HB GLU 38 -17.110 7.313 -3.240 279 HG2 GLU 38 2HG GLU 38 -19.186 9.087 -4.528 280 HG3 GLU 38 1HG GLU 38 -18.664 7.518 -5.148 281 H ARG 39 H ARG 39 -17.736 7.417 -0.686 282 HA ARG 39 HA ARG 39 -15.479 8.410 0.934 283 HB2 ARG 39 2HB ARG 39 -17.229 6.180 1.833 284 HB3 ARG 39 1HB ARG 39 -16.526 7.488 2.751 285 HG2 ARG 39 2HG ARG 39 -18.590 8.372 2.707 286 HG3 ARG 39 1HG ARG 39 -18.177 8.963 1.101 287 HD2 ARG 39 2HD ARG 39 -18.934 6.253 0.862 288 HD3 ARG 39 1HD ARG 39 -20.209 7.035 1.828 289 HE ARG 39 HE ARG 39 -19.732 7.221 -0.997 290 HH11 ARG 39 1HH2 ARG 39 -20.613 9.210 1.735 291 HH12 ARG 39 2HH2 ARG 39 -21.609 10.263 0.816 292 HH21 ARG 39 1HH1 ARG 39 -21.103 8.628 -2.218 293 HH22 ARG 39 2HH1 ARG 39 -21.866 9.947 -1.416 294 H LEU 40 H LEU 40 -13.650 7.362 0.861 295 HA LEU 40 HA LEU 40 -13.409 4.851 -0.628 296 HB2 LEU 40 2HB LEU 40 -11.215 6.574 0.590 297 HB3 LEU 40 1HB LEU 40 -11.017 5.180 -0.432 298 HG LEU 40 HG LEU 40 -12.367 6.313 -2.220 299 HD11 LEU 40 1HD1 LEU 40 -12.280 8.949 -1.835 300 HD12 LEU 40 2HD1 LEU 40 -12.313 8.482 -0.149 301 HD13 LEU 40 3HD1 LEU 40 -13.621 7.977 -1.228 302 HD21 LEU 40 3HD2 LEU 40 -10.481 7.963 -2.797 303 HD22 LEU 40 1HD2 LEU 40 -9.965 6.317 -2.430 304 HD23 LEU 40 2HD2 LEU 40 -9.800 7.589 -1.221 305 H LYS 41 H LYS 41 -12.403 3.031 0.188 306 HA LYS 41 HA LYS 41 -12.142 2.880 3.107 307 HB2 LYS 41 2HB LYS 41 -13.714 1.003 1.340 308 HB3 LYS 41 1HB LYS 41 -13.035 0.450 2.858 309 HG2 LYS 41 2HG LYS 41 -14.612 3.010 2.857 310 HG3 LYS 41 1HG LYS 41 -15.479 1.494 2.752 311 HD2 LYS 41 2HD LYS 41 -15.355 1.739 5.088 312 HD3 LYS 41 1HD LYS 41 -13.954 0.748 4.786 313 HE2 LYS 41 2HE LYS 41 -13.626 2.790 6.293 314 HE3 LYS 41 1HE LYS 41 -12.453 2.568 5.013 315 HZ1 LYS 41 3HZ LYS 41 -13.549 4.873 5.360 316 HZ2 LYS 41 1HZ LYS 41 -14.875 4.210 4.591 317 HZ3 LYS 41 2HZ LYS 41 -13.399 4.356 3.749 318 H ALA 42 H ALA 42 -10.445 1.705 3.832 319 HA ALA 42 HA ALA 42 -8.818 0.324 1.800 320 HB1 ALA 42 1HB ALA 42 -6.780 1.267 2.993 321 HB2 ALA 42 2HB ALA 42 -7.863 2.429 3.760 322 HB3 ALA 42 3HB ALA 42 -7.691 2.410 2.019 323 H TYR 43 H TYR 43 -8.220 -1.654 2.394 324 HA TYR 43 HA TYR 43 -7.845 -2.291 5.164 325 HB2 TYR 43 2HB TYR 43 -9.505 -4.187 5.051 326 HB3 TYR 43 1HB TYR 43 -10.192 -2.563 5.172 327 HD1 TYR 43 2HD TYR 43 -11.269 -1.501 3.197 328 HD2 TYR 43 1HD TYR 43 -9.689 -5.491 3.028 329 HE1 TYR 43 2HE TYR 43 -12.482 -1.898 1.090 330 HE2 TYR 43 1HE TYR 43 -10.865 -5.890 0.963 331 HH TYR 43 HH TYR 43 -13.179 -3.507 -0.378 332 H GLY 44 H GLY 44 -7.420 -4.812 5.356 333 HA2 GLY 44 2HA GLY 44 -5.167 -5.389 3.861 334 HA3 GLY 44 1HA GLY 44 -6.074 -6.505 4.846 335 H GLU 45 H GLU 45 -4.927 -6.944 2.245 336 HA GLU 45 HA GLU 45 -6.454 -6.878 0.070 337 HB2 GLU 45 2HB GLU 45 -4.863 -9.020 1.218 338 HB3 GLU 45 1HB GLU 45 -5.433 -9.214 -0.461 339 HG2 GLU 45 2HG GLU 45 -4.168 -6.771 -0.692 340 HG3 GLU 45 1HG GLU 45 -3.372 -7.349 0.755 341 H LEU 46 H LEU 46 -8.310 -7.847 -0.726 342 HA LEU 46 HA LEU 46 -9.703 -9.820 0.964 343 HB2 LEU 46 2HB LEU 46 -11.761 -9.098 0.124 344 HB3 LEU 46 1HB LEU 46 -10.870 -7.598 0.360 345 HG LEU 46 HG LEU 46 -11.175 -9.074 -2.291 346 HD11 LEU 46 1HD1 LEU 46 -13.266 -7.969 -1.264 347 HD12 LEU 46 2HD1 LEU 46 -12.834 -7.517 -2.903 348 HD13 LEU 46 3HD1 LEU 46 -12.450 -6.444 -1.576 349 HD21 LEU 46 3HD2 LEU 46 -9.274 -7.836 -2.647 350 HD22 LEU 46 1HD2 LEU 46 -9.664 -6.637 -1.405 351 HD23 LEU 46 2HD2 LEU 46 -10.466 -6.578 -2.963 352 H ILE 47 H ILE 47 -7.958 -9.441 -1.830 353 HA ILE 47 HA ILE 47 -9.065 -11.839 -3.157 354 HB ILE 47 HB ILE 47 -7.762 -11.130 -5.109 355 HG12 ILE 47 2HG1 ILE 47 -7.147 -8.642 -3.507 356 HG13 ILE 47 1HG1 ILE 47 -5.952 -9.927 -3.782 357 HG21 ILE 47 1HG2 ILE 47 -9.001 -8.690 -5.171 358 HG22 ILE 47 2HG2 ILE 47 -9.923 -9.495 -3.898 359 HG23 ILE 47 3HG2 ILE 47 -9.768 -10.230 -5.489 360 HD11 ILE 47 3HD1 ILE 47 -5.496 -9.065 -5.843 361 HD12 ILE 47 1HD1 ILE 47 -6.523 -7.710 -5.409 362 HD13 ILE 47 2HD1 ILE 47 -7.199 -9.078 -6.276 363 H THR 48 H THR 48 -6.879 -11.092 -0.910 364 HA THR 48 HA THR 48 -4.426 -12.197 -1.518 365 HB THR 48 HB THR 48 -5.306 -12.935 1.037 366 HG1 THR 48 1HG THR 48 -6.055 -10.639 1.601 367 HG21 THR 48 3HG2 THR 48 -3.618 -10.569 0.138 368 HG22 THR 48 1HG2 THR 48 -3.069 -12.182 0.637 369 HG23 THR 48 2HG2 THR 48 -3.837 -11.132 1.808 370 H ASN 49 H ASN 49 -7.431 -13.561 -0.312 371 HA ASN 49 HA ASN 49 -6.267 -16.138 0.028 372 HB2 ASN 49 2HB ASN 49 -7.775 -15.048 1.624 373 HB3 ASN 49 1HB ASN 49 -9.142 -15.483 0.547 374 HD21 ASN 49 1HD2 ASN 49 -10.030 -17.306 1.743 375 HD22 ASN 49 2HD2 ASN 49 -9.040 -18.631 2.159 376 H ASP 50 H ASP 50 -7.109 -14.933 -2.708 377 HA ASP 50 HA ASP 50 -9.039 -16.381 -3.967 378 HB2 ASP 50 2HB ASP 50 -7.834 -16.172 -6.012 379 HB3 ASP 50 1HB ASP 50 -7.338 -14.800 -5.042 380 H LYS 51 H LYS 51 -6.159 -17.608 -2.528 381 HA LYS 51 HA LYS 51 -6.583 -20.293 -3.644 382 HB2 LYS 51 2HB LYS 51 -4.274 -19.153 -2.062 383 HB3 LYS 51 1HB LYS 51 -4.387 -20.805 -2.703 384 HG2 LYS 51 2HG LYS 51 -4.570 -20.008 -4.967 385 HG3 LYS 51 1HG LYS 51 -4.635 -18.321 -4.417 386 HD2 LYS 51 2HD LYS 51 -2.272 -18.699 -3.482 387 HD3 LYS 51 1HD LYS 51 -2.293 -20.239 -4.337 388 HE2 LYS 51 2HE LYS 51 -1.879 -17.552 -5.396 389 HE3 LYS 51 1HE LYS 51 -1.482 -19.097 -6.116 390 HZ1 LYS 51 3HZ LYS 51 -3.131 -17.962 -7.457 391 HZ2 LYS 51 1HZ LYS 51 -4.222 -17.809 -6.188 392 HZ3 LYS 51 2HZ LYS 51 -3.808 -19.333 -6.816 393 H TRP 52 H TRP 52 -5.117 -19.838 -0.467 394 HA TRP 52 HA TRP 52 -7.245 -21.560 0.566 395 HB2 TRP 52 2HB TRP 52 -4.325 -21.546 1.031 396 HB3 TRP 52 1HB TRP 52 -5.359 -22.059 2.365 397 HD1 TRP 52 HD TRP 52 -4.525 -22.928 -1.258 398 HE1 TRP 52 1HE TRP 52 -5.206 -25.356 -1.715 399 HE3 TRP 52 3HE TRP 52 -6.881 -23.975 3.139 400 HZ2 TRP 52 2HZ TRP 52 -6.603 -27.500 -0.357 401 HZ3 TRP 52 3HZ TRP 52 -7.885 -26.212 3.524 402 HH2 TRP 52 HH TRP 52 -7.744 -27.960 1.790 403 H THR 53 H THR 53 -4.903 -19.923 2.567 404 HA THR 53 HA THR 53 -7.087 -18.687 4.139 405 HB THR 53 HB THR 53 -5.329 -18.900 6.027 406 HG1 THR 53 1HG THR 53 -3.881 -20.587 5.662 407 HG21 THR 53 3HG2 THR 53 -7.466 -20.371 5.370 408 HG22 THR 53 1HG2 THR 53 -6.400 -20.782 6.703 409 HG23 THR 53 2HG2 THR 53 -6.234 -21.620 5.164 410 H ARG 54 H ARG 54 -5.120 -17.705 1.986 411 HA ARG 54 HA ARG 54 -3.366 -15.915 3.181 412 HB2 ARG 54 2HB ARG 54 -4.211 -16.314 0.365 413 HB3 ARG 54 1HB ARG 54 -3.161 -14.964 0.806 414 HG2 ARG 54 2HG ARG 54 -1.583 -16.473 1.883 415 HG3 ARG 54 1HG ARG 54 -2.694 -17.809 1.581 416 HD2 ARG 54 2HD ARG 54 -2.323 -17.826 -0.703 417 HD3 ARG 54 1HD ARG 54 -1.699 -16.186 -0.740 418 HE ARG 54 HE ARG 54 0.417 -16.953 -0.097 419 HH11 ARG 54 1HH2 ARG 54 -1.902 -19.560 0.128 420 HH12 ARG 54 2HH2 ARG 54 -0.722 -20.788 0.243 421 HH21 ARG 54 1HH1 ARG 54 2.010 -18.615 0.089 422 HH22 ARG 54 2HH1 ARG 54 1.515 -20.244 0.251 423 H ASN 55 H ASN 55 -6.600 -15.289 3.091 424 HA ASN 55 HA ASN 55 -6.626 -12.581 2.334 425 HB2 ASN 55 2HB ASN 55 -8.663 -12.359 3.757 426 HB3 ASN 55 1HB ASN 55 -8.666 -13.446 2.389 427 HD21 ASN 55 1HD2 ASN 55 -10.099 -13.529 5.220 428 HD22 ASN 55 2HD2 ASN 55 -9.835 -15.128 5.735 429 H ARG 56 H ARG 56 -4.479 -13.288 4.226 430 HA ARG 56 HA ARG 56 -4.358 -12.197 6.645 431 HB2 ARG 56 2HB ARG 56 -2.502 -11.496 4.388 432 HB3 ARG 56 1HB ARG 56 -2.094 -11.414 6.104 433 HG2 ARG 56 2HG ARG 56 -3.172 -14.050 5.187 434 HG3 ARG 56 1HG ARG 56 -1.605 -13.611 4.510 435 HD2 ARG 56 2HD ARG 56 -1.578 -12.999 7.322 436 HD3 ARG 56 1HD ARG 56 -2.199 -14.618 7.114 437 HE ARG 56 HE ARG 56 0.135 -14.246 5.511 438 HH11 ARG 56 1HH2 ARG 56 -0.979 -14.617 8.786 439 HH12 ARG 56 2HH2 ARG 56 0.429 -15.382 9.362 440 HH21 ARG 56 1HH1 ARG 56 2.110 -15.264 6.268 441 HH22 ARG 56 2HH1 ARG 56 2.212 -15.731 7.901 442 HA PRO 57 HA PRO 57 -6.012 -8.031 6.108 443 HB2 PRO 57 2HB PRO 57 -5.379 -7.515 8.863 444 HB3 PRO 57 1HB PRO 57 -6.963 -7.733 8.131 445 HG2 PRO 57 2HG PRO 57 -5.357 -9.675 9.581 446 HG3 PRO 57 1HG PRO 57 -7.085 -9.703 9.160 447 HD2 PRO 57 2HD PRO 57 -5.324 -11.408 8.019 448 HD3 PRO 57 1HD PRO 57 -6.709 -10.797 7.103 449 H ILE 58 H ILE 58 -5.187 -5.784 7.032 450 HA ILE 58 HA ILE 58 -2.805 -5.107 5.818 451 HB ILE 58 HB ILE 58 -4.187 -3.803 8.168 452 HG12 ILE 58 2HG1 ILE 58 -4.321 -3.099 5.236 453 HG13 ILE 58 1HG1 ILE 58 -5.515 -4.120 6.028 454 HG21 ILE 58 1HG2 ILE 58 -3.041 -1.837 7.682 455 HG22 ILE 58 2HG2 ILE 58 -2.364 -2.446 6.180 456 HG23 ILE 58 3HG2 ILE 58 -1.750 -3.032 7.733 457 HD11 ILE 58 3HD1 ILE 58 -6.082 -1.628 5.897 458 HD12 ILE 58 1HD1 ILE 58 -4.800 -1.393 7.083 459 HD13 ILE 58 2HD1 ILE 58 -6.193 -2.377 7.494 460 H VAL 59 H VAL 59 -1.251 -6.674 6.401 461 HA VAL 59 HA VAL 59 0.090 -6.094 8.934 462 HB VAL 59 HB VAL 59 0.732 -8.497 9.089 463 HG11 VAL 59 1HG1 VAL 59 -1.271 -7.460 10.318 464 HG12 VAL 59 2HG1 VAL 59 -1.342 -9.207 10.082 465 HG13 VAL 59 3HG1 VAL 59 -2.265 -8.143 9.028 466 HG21 VAL 59 3HG2 VAL 59 0.159 -10.013 7.480 467 HG22 VAL 59 1HG2 VAL 59 -0.321 -8.647 6.476 468 HG23 VAL 59 2HG2 VAL 59 -1.505 -9.462 7.468 469 H SER 60 H SER 60 2.409 -6.530 8.837 470 HA SER 60 HA SER 60 3.467 -6.404 6.067 471 HB2 SER 60 2HB SER 60 5.182 -5.760 8.436 472 HB3 SER 60 1HB SER 60 5.248 -5.165 6.791 473 HG SER 60 HG SER 60 2.990 -4.260 7.562 474 H THR 61 H THR 61 4.439 -8.289 5.373 475 HA THR 61 HA THR 61 4.800 -10.377 7.248 476 HB THR 61 HB THR 61 5.495 -11.705 5.470 477 HG1 THR 61 1HG THR 61 7.147 -9.832 4.990 478 HG21 THR 61 3HG2 THR 61 3.288 -10.199 5.018 479 HG22 THR 61 1HG2 THR 61 3.864 -11.420 3.888 480 HG23 THR 61 2HG2 THR 61 4.266 -9.739 3.621 481 H LYS 62 H LYS 62 6.162 -9.883 8.882 482 HA LYS 62 HA LYS 62 8.411 -8.224 8.727 483 HB2 LYS 62 2HB LYS 62 7.874 -10.522 10.628 484 HB3 LYS 62 1HB LYS 62 9.110 -9.293 10.840 485 HG2 LYS 62 2HG LYS 62 6.138 -8.680 10.637 486 HG3 LYS 62 1HG LYS 62 6.988 -8.882 12.149 487 HD2 LYS 62 2HD LYS 62 8.564 -7.015 11.489 488 HD3 LYS 62 1HD LYS 62 7.589 -6.766 10.050 489 HE2 LYS 62 2HE LYS 62 6.863 -5.197 11.738 490 HE3 LYS 62 1HE LYS 62 5.587 -6.402 11.527 491 HZ1 LYS 62 3HZ LYS 62 7.532 -6.116 13.735 492 HZ2 LYS 62 1HZ LYS 62 6.781 -7.587 13.488 493 HZ3 LYS 62 2HZ LYS 62 5.886 -6.204 13.850 494 H LYS 63 H LYS 63 10.197 -8.595 7.431 495 HA LYS 63 HA LYS 63 11.382 -11.302 7.575 496 HB2 LYS 63 2HB LYS 63 11.398 -9.479 5.165 497 HB3 LYS 63 1HB LYS 63 12.230 -11.020 5.312 498 HG2 LYS 63 2HG LYS 63 9.874 -12.044 5.817 499 HG3 LYS 63 1HG LYS 63 9.250 -10.542 5.184 500 HD2 LYS 63 2HD LYS 63 11.190 -12.261 3.601 501 HD3 LYS 63 1HD LYS 63 9.430 -12.380 3.493 502 HE2 LYS 63 2HE LYS 63 9.193 -10.330 2.436 503 HE3 LYS 63 1HE LYS 63 10.623 -9.683 3.239 504 HZ1 LYS 63 3HZ LYS 63 11.310 -11.843 1.460 505 HZ2 LYS 63 1HZ LYS 63 11.924 -10.294 1.594 506 HZ3 LYS 63 2HZ LYS 63 10.588 -10.548 0.643 507 H LEU 64 H LEU 64 13.483 -11.314 8.078 508 HA LEU 64 HA LEU 64 14.866 -8.708 8.151 509 HB2 LEU 64 2HB LEU 64 14.287 -9.552 10.433 510 HB3 LEU 64 1HB LEU 64 15.219 -10.993 10.100 511 HG LEU 64 HG LEU 64 17.309 -9.660 9.877 512 HD11 LEU 64 1HD1 LEU 64 16.397 -7.606 8.908 513 HD12 LEU 64 2HD1 LEU 64 17.250 -7.272 10.409 514 HD13 LEU 64 3HD1 LEU 64 15.492 -7.307 10.406 515 HD21 LEU 64 3HD2 LEU 64 15.692 -8.840 12.283 516 HD22 LEU 64 1HD2 LEU 64 17.453 -8.856 12.186 517 HD23 LEU 64 2HD2 LEU 64 16.563 -10.384 12.138 518 H ASP 65 H ASP 65 16.393 -8.621 6.701 519 HA ASP 65 HA ASP 65 17.659 -11.115 5.801 520 HB2 ASP 65 2HB ASP 65 16.392 -9.099 4.369 521 HB3 ASP 65 1HB ASP 65 18.081 -8.700 4.180 522 H LYS 66 H LYS 66 19.837 -10.265 4.658 523 HA LYS 66 HA LYS 66 21.747 -9.952 6.641 524 HB2 LYS 66 2HB LYS 66 23.336 -9.482 4.875 525 HB3 LYS 66 1HB LYS 66 22.177 -10.645 4.264 526 HG2 LYS 66 2HG LYS 66 21.435 -7.770 3.796 527 HG3 LYS 66 1HG LYS 66 22.826 -8.379 2.932 528 HD2 LYS 66 2HD LYS 66 21.646 -9.958 1.761 529 HD3 LYS 66 1HD LYS 66 20.357 -10.090 2.929 530 HE2 LYS 66 2HE LYS 66 19.550 -7.864 2.354 531 HE3 LYS 66 1HE LYS 66 20.820 -7.670 1.127 532 HZ1 LYS 66 3HZ LYS 66 18.652 -9.676 1.257 533 HZ2 LYS 66 1HZ LYS 66 19.896 -9.744 0.116 534 HZ3 LYS 66 2HZ LYS 66 18.795 -8.446 0.075 535 H GLU 67 H GLU 67 19.593 -7.702 5.338 536 HA GLU 67 HA GLU 67 20.898 -5.272 5.373 537 HB2 GLU 67 2HB GLU 67 18.018 -5.909 6.096 538 HB3 GLU 67 1HB GLU 67 18.638 -4.318 5.707 539 HG2 GLU 67 2HG GLU 67 19.320 -5.134 3.445 540 HG3 GLU 67 1HG GLU 67 18.717 -6.713 3.871 541 H GLY 68 H GLY 68 19.389 -7.097 8.000 542 HA2 GLY 68 2HA GLY 68 19.832 -6.958 10.272 543 HA3 GLY 68 1HA GLY 68 20.847 -5.536 9.996 544 H ARG 69 H ARG 69 17.981 -5.205 8.300 545 HA ARG 69 HA ARG 69 16.655 -3.746 10.509 546 HB2 ARG 69 2HB ARG 69 15.992 -2.969 7.717 547 HB3 ARG 69 1HB ARG 69 16.304 -1.952 9.122 548 HG2 ARG 69 2HG ARG 69 18.417 -3.349 7.449 549 HG3 ARG 69 1HG ARG 69 17.904 -1.684 7.273 550 HD2 ARG 69 2HD ARG 69 18.841 -1.020 9.341 551 HD3 ARG 69 1HD ARG 69 18.909 -2.658 9.939 552 HE ARG 69 HE ARG 69 20.775 -3.122 8.519 553 HH11 ARG 69 1HH2 ARG 69 19.816 0.291 8.490 554 HH12 ARG 69 2HH2 ARG 69 21.287 0.770 7.766 555 HH21 ARG 69 1HH1 ARG 69 22.663 -2.399 7.555 556 HH22 ARG 69 2HH1 ARG 69 22.902 -0.737 7.210 557 H THR 70 H THR 70 14.698 -4.678 10.922 558 HA THR 70 HA THR 70 13.761 -6.897 9.359 559 HB THR 70 HB THR 70 12.164 -5.348 11.427 560 HG1 THR 70 1HG THR 70 14.359 -6.217 12.030 561 HG21 THR 70 3HG2 THR 70 10.750 -7.177 11.513 562 HG22 THR 70 1HG2 THR 70 11.975 -8.305 10.955 563 HG23 THR 70 2HG2 THR 70 11.173 -7.232 9.814 564 H HIS 71 H HIS 71 12.616 -6.994 7.620 565 HA HIS 71 HA HIS 71 11.716 -4.543 6.360 566 HB2 HIS 71 2HB HIS 71 12.694 -7.070 5.495 567 HB3 HIS 71 1HB HIS 71 11.055 -6.890 4.868 568 HD1 HIS 71 1HD HIS 71 14.462 -5.100 4.871 569 HD2 HIS 71 2HD HIS 71 10.818 -5.011 2.785 570 HE1 HIS 71 1HE HIS 71 14.787 -3.621 2.879 571 HE2 HIS 71 2HE HIS 71 12.593 -3.538 1.599 572 H HIS 72 H HIS 72 9.721 -3.969 5.882 573 HA HIS 72 HA HIS 72 7.435 -5.455 7.006 574 HB2 HIS 72 2HB HIS 72 7.967 -2.557 6.415 575 HB3 HIS 72 1HB HIS 72 6.321 -3.125 6.380 576 HD1 HIS 72 1HD HIS 72 5.174 -3.600 8.644 577 HD2 HIS 72 2HD HIS 72 9.244 -2.673 8.980 578 HE1 HIS 72 1HE HIS 72 5.613 -3.183 11.090 579 HE2 HIS 72 2HE HIS 72 8.081 -2.577 11.333 580 H TYR 73 H TYR 73 6.632 -6.739 5.378 581 HA TYR 73 HA TYR 73 6.257 -5.480 2.721 582 HB2 TYR 73 2HB TYR 73 6.489 -8.377 3.502 583 HB3 TYR 73 1HB TYR 73 5.743 -7.899 1.981 584 HD1 TYR 73 1HD TYR 73 8.871 -7.988 3.928 585 HD2 TYR 73 2HD TYR 73 7.041 -6.872 0.204 586 HE1 TYR 73 1HE TYR 73 11.101 -7.685 2.933 587 HE2 TYR 73 2HE TYR 73 9.260 -6.568 -0.807 588 HH TYR 73 HH TYR 73 11.479 -6.010 0.037 589 H MET 74 H MET 74 4.409 -4.403 2.993 590 HA MET 74 HA MET 74 2.029 -5.918 3.886 591 HB2 MET 74 2HB MET 74 2.759 -4.322 5.605 592 HB3 MET 74 1HB MET 74 2.735 -3.026 4.440 593 HG2 MET 74 2HG MET 74 0.295 -3.333 4.119 594 HG3 MET 74 1HG MET 74 0.270 -4.653 5.264 595 HE1 MET 74 3HE MET 74 0.746 -0.228 5.854 596 HE2 MET 74 1HE MET 74 1.079 -1.197 4.410 597 HE3 MET 74 2HE MET 74 2.305 -1.010 5.655 598 H ARG 75 H ARG 75 0.394 -5.982 2.509 599 HA ARG 75 HA ARG 75 0.180 -3.857 0.473 600 HB2 ARG 75 2HB ARG 75 -0.753 -6.711 0.172 601 HB3 ARG 75 1HB ARG 75 -0.843 -5.451 -1.040 602 HG2 ARG 75 2HG ARG 75 1.802 -5.385 -0.725 603 HG3 ARG 75 1HG ARG 75 1.526 -6.990 -0.052 604 HD2 ARG 75 2HD ARG 75 1.102 -6.053 -2.865 605 HD3 ARG 75 1HD ARG 75 1.875 -7.508 -2.236 606 HE ARG 75 HE ARG 75 -0.797 -7.811 -1.553 607 HH11 ARG 75 1HH2 ARG 75 1.076 -7.328 -4.494 608 HH12 ARG 75 2HH2 ARG 75 -0.057 -8.109 -5.501 609 HH21 ARG 75 1HH1 ARG 75 -2.317 -8.838 -2.928 610 HH22 ARG 75 2HH1 ARG 75 -2.023 -8.992 -4.598 611 H PHE 76 H PHE 76 -1.922 -3.145 0.162 612 HA PHE 76 HA PHE 76 -4.033 -4.484 1.547 613 HB2 PHE 76 2HB PHE 76 -4.836 -2.462 2.770 614 HB3 PHE 76 1HB PHE 76 -3.319 -3.090 3.372 615 HD1 PHE 76 2HD PHE 76 -1.212 -1.891 3.019 616 HD2 PHE 76 1HD PHE 76 -4.947 -0.287 1.590 617 HE1 PHE 76 2HE PHE 76 -0.160 0.314 2.739 618 HE2 PHE 76 1HE PHE 76 -3.867 1.936 1.324 619 HZ PHE 76 HZ PHE 76 -1.486 2.233 1.895 620 H HIS 77 H HIS 77 -6.160 -3.710 1.067 621 HA HIS 77 HA HIS 77 -6.172 -2.627 -1.665 622 HB2 HIS 77 2HB HIS 77 -7.940 -4.718 -0.373 623 HB3 HIS 77 1HB HIS 77 -8.274 -4.000 -1.935 624 HD1 HIS 77 1HD HIS 77 -4.826 -4.008 -2.103 625 HD2 HIS 77 2HD HIS 77 -7.586 -7.119 -2.149 626 HE1 HIS 77 1HE HIS 77 -3.671 -6.020 -3.208 627 HE2 HIS 77 2HE HIS 77 -5.299 -7.899 -3.196 628 H VAL 78 H VAL 78 -7.635 -1.135 -2.215 629 HA VAL 78 HA VAL 78 -9.242 -0.127 0.004 630 HB VAL 78 HB VAL 78 -8.636 2.107 -0.409 631 HG11 VAL 78 1HG1 VAL 78 -6.804 0.473 0.557 632 HG12 VAL 78 2HG1 VAL 78 -6.356 2.121 0.125 633 HG13 VAL 78 3HG1 VAL 78 -5.992 0.793 -0.980 634 HG21 VAL 78 3HG2 VAL 78 -8.737 2.195 -2.848 635 HG22 VAL 78 1HG2 VAL 78 -7.385 1.079 -2.985 636 HG23 VAL 78 2HG2 VAL 78 -7.133 2.719 -2.382 637 H GLU 79 H GLU 79 -11.078 1.019 -0.583 638 HA GLU 79 HA GLU 79 -12.136 0.306 -3.238 639 HB2 GLU 79 2HB GLU 79 -13.501 0.918 -0.616 640 HB3 GLU 79 1HB GLU 79 -14.370 0.727 -2.139 641 HG2 GLU 79 2HG GLU 79 -13.571 -1.531 -2.432 642 HG3 GLU 79 1HG GLU 79 -12.492 -1.451 -1.065 643 H SER 80 H SER 80 -11.859 1.892 -4.571 644 HA SER 80 HA SER 80 -11.423 4.574 -3.685 645 HB2 SER 80 2HB SER 80 -11.595 3.894 -6.562 646 HB3 SER 80 1HB SER 80 -10.386 4.843 -5.723 647 HG SER 80 HG SER 80 -10.752 2.049 -5.867 648 H LYS 81 H LYS 81 -12.385 6.150 -5.650 649 HA LYS 81 HA LYS 81 -15.122 6.453 -4.938 650 HB2 LYS 81 2HB LYS 81 -13.659 7.565 -7.318 651 HB3 LYS 81 1HB LYS 81 -15.171 8.159 -6.663 652 HG2 LYS 81 2HG LYS 81 -12.483 8.209 -5.228 653 HG3 LYS 81 1HG LYS 81 -13.334 9.592 -5.935 654 HD2 LYS 81 2HD LYS 81 -15.099 8.234 -4.131 655 HD3 LYS 81 1HD LYS 81 -13.578 8.482 -3.337 656 HE2 LYS 81 2HE LYS 81 -14.034 10.974 -4.665 657 HE3 LYS 81 1HE LYS 81 -15.566 10.436 -4.033 658 HZ1 LYS 81 3HZ LYS 81 -14.475 11.747 -2.516 659 HZ2 LYS 81 1HZ LYS 81 -13.104 10.784 -2.378 660 HZ3 LYS 81 2HZ LYS 81 -14.645 10.229 -1.829 661 H LYS 82 H LYS 82 -13.465 4.898 -7.624 662 HA LYS 82 HA LYS 82 -16.109 4.168 -8.779 663 HB2 LYS 82 2HB LYS 82 -13.482 4.386 -10.247 664 HB3 LYS 82 1HB LYS 82 -15.090 4.231 -10.925 665 HG2 LYS 82 2HG LYS 82 -14.200 6.618 -9.255 666 HG3 LYS 82 1HG LYS 82 -14.172 6.582 -11.000 667 HD2 LYS 82 2HD LYS 82 -16.644 6.215 -11.038 668 HD3 LYS 82 1HD LYS 82 -16.661 6.253 -9.287 669 HE2 LYS 82 2HE LYS 82 -17.246 8.468 -10.256 670 HE3 LYS 82 1HE LYS 82 -15.795 8.525 -9.257 671 HZ1 LYS 82 3HZ LYS 82 -14.907 7.939 -11.831 672 HZ2 LYS 82 1HZ LYS 82 -14.745 9.404 -11.008 673 HZ3 LYS 82 2HZ LYS 82 -16.065 9.127 -12.026 674 H LYS 83 H LYS 83 -12.833 3.007 -8.151 675 HA LYS 83 HA LYS 83 -13.795 0.214 -8.440 676 HB2 LYS 83 2HB LYS 83 -11.225 1.400 -9.470 677 HB3 LYS 83 1HB LYS 83 -11.573 -0.327 -9.479 678 HG2 LYS 83 2HG LYS 83 -13.197 1.817 -10.926 679 HG3 LYS 83 1HG LYS 83 -12.037 0.761 -11.679 680 HD2 LYS 83 2HD LYS 83 -13.327 -1.220 -11.077 681 HD3 LYS 83 1HD LYS 83 -14.543 -0.242 -10.255 682 HE2 LYS 83 2HE LYS 83 -14.996 0.941 -12.411 683 HE3 LYS 83 1HE LYS 83 -13.812 -0.090 -13.198 684 HZ1 LYS 83 3HZ LYS 83 -16.108 -1.246 -11.714 685 HZ2 LYS 83 1HZ LYS 83 -15.165 -1.976 -12.917 686 HZ3 LYS 83 2HZ LYS 83 -16.252 -0.741 -13.325 687 H ILE 84 H ILE 84 -11.922 -1.299 -7.671 688 HA ILE 84 HA ILE 84 -11.227 -0.427 -4.942 689 HB ILE 84 HB ILE 84 -11.440 -3.230 -6.092 690 HG12 ILE 84 2HG1 ILE 84 -13.394 -1.705 -4.331 691 HG13 ILE 84 1HG1 ILE 84 -13.588 -1.893 -6.056 692 HG21 ILE 84 1HG2 ILE 84 -11.600 -2.517 -3.187 693 HG22 ILE 84 2HG2 ILE 84 -10.017 -2.616 -3.938 694 HG23 ILE 84 3HG2 ILE 84 -11.084 -4.015 -3.941 695 HD11 ILE 84 3HD1 ILE 84 -14.851 -3.613 -5.119 696 HD12 ILE 84 1HD1 ILE 84 -13.571 -4.055 -3.974 697 HD13 ILE 84 2HD1 ILE 84 -13.379 -4.389 -5.709 698 H ALA 85 H ALA 85 -9.114 -0.150 -4.477 699 HA ALA 85 HA ALA 85 -7.131 -0.982 -6.525 700 HB1 ALA 85 1HB ALA 85 -6.366 1.091 -6.605 701 HB2 ALA 85 2HB ALA 85 -6.225 1.202 -4.853 702 HB3 ALA 85 3HB ALA 85 -7.763 1.576 -5.637 703 H LEU 86 H LEU 86 -4.957 -1.275 -5.919 704 HA LEU 86 HA LEU 86 -4.635 -2.488 -3.280 705 HB2 LEU 86 2HB LEU 86 -4.355 -4.257 -4.707 706 HB3 LEU 86 1HB LEU 86 -3.710 -3.288 -6.009 707 HG LEU 86 HG LEU 86 -1.565 -2.995 -4.718 708 HD11 LEU 86 1HD1 LEU 86 -1.415 -3.489 -2.585 709 HD12 LEU 86 2HD1 LEU 86 -1.793 -5.169 -2.880 710 HD13 LEU 86 3HD1 LEU 86 -3.089 -4.016 -2.529 711 HD21 LEU 86 3HD2 LEU 86 -0.796 -5.372 -4.986 712 HD22 LEU 86 1HD2 LEU 86 -1.684 -4.737 -6.370 713 HD23 LEU 86 2HD2 LEU 86 -2.476 -5.837 -5.259 714 H VAL 87 H VAL 87 -3.069 -1.749 -1.973 715 HA VAL 87 HA VAL 87 -1.017 0.023 -3.124 716 HB VAL 87 HB VAL 87 -2.310 0.269 -0.390 717 HG11 VAL 87 1HG1 VAL 87 -0.035 1.018 -0.259 718 HG12 VAL 87 2HG1 VAL 87 -1.076 2.434 -0.372 719 HG13 VAL 87 3HG1 VAL 87 -0.176 1.905 -1.789 720 HG21 VAL 87 3HG2 VAL 87 -2.757 1.758 -2.992 721 HG22 VAL 87 1HG2 VAL 87 -2.995 2.579 -1.452 722 HG23 VAL 87 2HG2 VAL 87 -3.947 1.164 -1.837 723 H HIS 88 H HIS 88 1.033 -0.625 -2.674 724 HA HIS 88 HA HIS 88 1.397 -2.723 -0.637 725 HB2 HIS 88 2HB HIS 88 1.517 -3.908 -2.685 726 HB3 HIS 88 1HB HIS 88 2.419 -2.604 -3.468 727 HD1 HIS 88 1HD HIS 88 4.328 -4.337 -4.075 728 HD2 HIS 88 2HD HIS 88 3.742 -3.789 0.029 729 HE1 HIS 88 1HE HIS 88 6.391 -5.256 -2.907 730 HE2 HIS 88 2HE HIS 88 6.038 -4.924 -0.411 731 H LEU 89 H LEU 89 2.786 -2.210 0.868 732 HA LEU 89 HA LEU 89 4.659 0.026 0.380 733 HB2 LEU 89 2HB LEU 89 2.839 0.553 1.920 734 HB3 LEU 89 1HB LEU 89 3.200 -0.886 2.867 735 HG LEU 89 HG LEU 89 5.544 0.146 3.249 736 HD11 LEU 89 1HD1 LEU 89 5.841 1.741 1.666 737 HD12 LEU 89 2HD1 LEU 89 5.359 2.705 3.065 738 HD13 LEU 89 3HD1 LEU 89 4.194 2.373 1.811 739 HD21 LEU 89 3HD2 LEU 89 3.008 0.670 4.501 740 HD22 LEU 89 1HD2 LEU 89 3.960 2.149 4.525 741 HD23 LEU 89 2HD2 LEU 89 4.609 0.666 5.231 742 H GLU 90 H GLU 90 6.810 -0.407 0.674 743 HA GLU 90 HA GLU 90 7.565 -2.816 2.222 744 HB2 GLU 90 2HB GLU 90 8.330 -2.776 -0.265 745 HB3 GLU 90 1HB GLU 90 9.372 -1.439 0.217 746 HG2 GLU 90 2HG GLU 90 10.337 -2.860 2.036 747 HG3 GLU 90 1HG GLU 90 9.397 -4.213 1.446 748 H ALA 91 H ALA 91 8.414 -2.344 4.115 749 HA ALA 91 HA ALA 91 9.939 0.139 4.410 750 HB1 ALA 91 1HB ALA 91 8.329 -0.449 6.789 751 HB2 ALA 91 2HB ALA 91 7.349 0.000 5.402 752 HB3 ALA 91 3HB ALA 91 8.602 1.083 5.979 753 H LYS 92 H LYS 92 11.345 0.138 6.317 754 HA LYS 92 HA LYS 92 11.831 -2.582 7.336 755 HB2 LYS 92 2HB LYS 92 14.260 -2.107 7.384 756 HB3 LYS 92 1HB LYS 92 13.610 -2.268 5.750 757 HG2 LYS 92 2HG LYS 92 13.512 0.214 5.560 758 HG3 LYS 92 1HG LYS 92 14.107 0.348 7.222 759 HD2 LYS 92 2HD LYS 92 16.232 -0.522 6.664 760 HD3 LYS 92 1HD LYS 92 15.710 -1.097 5.095 761 HE2 LYS 92 2HE LYS 92 17.013 1.011 4.862 762 HE3 LYS 92 1HE LYS 92 15.355 1.226 4.337 763 HZ1 LYS 92 3HZ LYS 92 15.291 2.921 5.734 764 HZ2 LYS 92 1HZ LYS 92 16.742 2.533 6.451 765 HZ3 LYS 92 2HZ LYS 92 15.366 1.851 7.062 766 H GLU 93 H GLU 93 12.091 -2.788 9.450 767 HA GLU 93 HA GLU 93 11.527 -0.635 11.207 768 HB2 GLU 93 2HB GLU 93 12.694 -3.382 11.664 769 HB3 GLU 93 1HB GLU 93 12.372 -2.278 12.981 770 HG2 GLU 93 2HG GLU 93 10.258 -3.046 10.966 771 HG3 GLU 93 1HG GLU 93 10.514 -3.940 12.447 772 H SER 94 H SER 94 12.847 1.078 11.360 773 HA SER 94 HA SER 94 15.578 1.062 10.732 774 HB2 SER 94 2HB SER 94 14.228 2.908 12.624 775 HB3 SER 94 1HB SER 94 15.570 3.265 11.551 776 HG SER 94 HG SER 94 12.828 3.219 11.083 777 H LYS 95 H LYS 95 17.355 1.252 12.138 778 HA LYS 95 HA LYS 95 17.324 -0.484 14.433 779 HB2 LYS 95 2HB LYS 95 19.344 1.554 13.556 780 HB3 LYS 95 1HB LYS 95 19.644 0.274 14.721 781 HG2 LYS 95 2HG LYS 95 19.338 0.090 11.720 782 HG3 LYS 95 1HG LYS 95 20.538 -0.607 12.788 783 HD2 LYS 95 2HD LYS 95 17.633 -1.546 12.693 784 HD3 LYS 95 1HD LYS 95 18.961 -2.257 11.797 785 HE2 LYS 95 2HE LYS 95 20.053 -2.243 14.317 786 HE3 LYS 95 1HE LYS 95 18.334 -2.450 14.637 787 HZ1 LYS 95 3HZ LYS 95 18.803 -4.208 12.554 788 HZ2 LYS 95 1HZ LYS 95 18.637 -4.592 14.184 789 HZ3 LYS 95 2HZ LYS 95 20.155 -4.344 13.515 790 H GLN 96 H GLN 96 17.549 2.958 13.975 791 HA GLN 96 HA GLN 96 17.410 3.368 16.885 792 HB2 GLN 96 2HB GLN 96 18.157 5.417 14.805 793 HB3 GLN 96 1HB GLN 96 18.525 5.420 16.522 794 HG2 GLN 96 2HG GLN 96 20.482 4.403 16.043 795 HG3 GLN 96 1HG GLN 96 19.600 2.955 15.623 796 HE21 GLN 96 1HE2 GLN 96 21.970 3.497 14.274 797 HE22 GLN 96 2HE2 GLN 96 21.644 3.923 12.670 798 H ASN 97 H ASN 97 15.785 4.170 13.906 799 HA ASN 97 HA ASN 97 13.969 6.054 15.143 800 HB2 ASN 97 2HB ASN 97 14.510 6.309 12.724 801 HB3 ASN 97 1HB ASN 97 13.754 4.741 12.434 802 HD21 ASN 97 1HD2 ASN 97 12.809 7.143 11.182 803 HD22 ASN 97 2HD2 ASN 97 11.254 7.446 11.801 804 H TYR 98 H TYR 98 12.065 5.659 15.943 805 HA TYR 98 HA TYR 98 11.337 3.148 16.906 806 HB2 TYR 98 2HB TYR 98 9.470 5.455 16.368 807 HB3 TYR 98 1HB TYR 98 9.311 4.204 17.583 808 HD1 TYR 98 1HD TYR 98 11.174 7.226 16.602 809 HD2 TYR 98 2HD TYR 98 10.641 4.242 19.654 810 HE1 TYR 98 1HE TYR 98 12.468 8.606 18.171 811 HE2 TYR 98 2HE TYR 98 11.944 5.613 21.224 812 HH TYR 98 HH TYR 98 12.494 8.080 21.483 813 H GLN 99 H GLN 99 10.289 5.053 14.113 814 HA GLN 99 HA GLN 99 8.406 3.026 13.273 815 HB2 GLN 99 2HB GLN 99 9.183 5.515 11.821 816 HB3 GLN 99 1HB GLN 99 7.690 4.583 11.633 817 HG2 GLN 99 2HG GLN 99 7.993 5.383 14.425 818 HG3 GLN 99 1HG GLN 99 8.146 6.794 13.402 819 HE21 GLN 99 1HE2 GLN 99 6.061 3.827 13.233 820 HE22 GLN 99 2HE2 GLN 99 4.629 4.723 13.067 821 HA PRO 100 HA PRO 100 11.238 1.197 10.339 822 HB2 PRO 100 2HB PRO 100 9.492 0.061 8.610 823 HB3 PRO 100 1HB PRO 100 9.784 -0.586 10.230 824 HG2 PRO 100 2HG PRO 100 7.575 1.185 9.318 825 HG3 PRO 100 1HG PRO 100 7.535 -0.290 10.327 826 HD2 PRO 100 2HD PRO 100 7.416 2.143 11.472 827 HD3 PRO 100 1HD PRO 100 8.305 0.807 12.235 828 H ASP 101 H ASP 101 12.095 1.648 8.315 829 HA ASP 101 HA ASP 101 11.421 4.208 7.107 830 HB2 ASP 101 2HB ASP 101 13.791 3.416 7.453 831 HB3 ASP 101 1HB ASP 101 13.402 2.150 6.298 832 H PHE 102 H PHE 102 9.952 4.367 5.458 833 HA PHE 102 HA PHE 102 8.914 2.087 4.010 834 HB2 PHE 102 2HB PHE 102 8.878 5.016 3.317 835 HB3 PHE 102 1HB PHE 102 7.875 3.795 2.557 836 HD1 PHE 102 1HD PHE 102 6.733 2.232 4.652 837 HD2 PHE 102 2HD PHE 102 7.665 6.411 4.694 838 HE1 PHE 102 1HE PHE 102 5.000 2.597 6.379 839 HE2 PHE 102 2HE PHE 102 5.926 6.788 6.435 840 HZ PHE 102 HZ PHE 102 4.594 4.902 7.269 841 H ILE 103 H ILE 103 10.632 1.006 2.996 842 HA ILE 103 HA ILE 103 12.613 2.378 1.491 843 HB ILE 103 HB ILE 103 11.823 -0.561 1.528 844 HG12 ILE 103 2HG1 ILE 103 14.273 0.876 2.573 845 HG13 ILE 103 1HG1 ILE 103 12.854 0.536 3.576 846 HG21 ILE 103 1HG2 ILE 103 14.234 0.768 0.220 847 HG22 ILE 103 2HG2 ILE 103 12.885 0.035 -0.672 848 HG23 ILE 103 3HG2 ILE 103 13.928 -0.956 0.326 849 HD11 ILE 103 3HD1 ILE 103 13.453 -1.608 3.823 850 HD12 ILE 103 1HD1 ILE 103 15.013 -1.130 3.156 851 HD13 ILE 103 2HD1 ILE 103 13.767 -1.802 2.092 852 H ASN 104 H ASN 104 9.610 0.737 0.656 853 HA ASN 104 HA ASN 104 9.512 2.242 -1.890 854 HB2 ASN 104 2HB ASN 104 10.631 -0.034 -2.274 855 HB3 ASN 104 1HB ASN 104 9.079 -0.741 -1.866 856 HD21 ASN 104 1HD2 ASN 104 10.295 -0.908 -4.482 857 HD22 ASN 104 2HD2 ASN 104 9.254 -0.132 -5.569 858 H MET 105 H MET 105 7.405 2.263 -2.798 859 HA MET 105 HA MET 105 5.277 0.826 -1.811 860 HB2 MET 105 2HB MET 105 4.383 1.901 -0.091 861 HB3 MET 105 1HB MET 105 5.899 2.808 0.028 862 HG2 MET 105 2HG MET 105 4.227 4.406 0.040 863 HG3 MET 105 1HG MET 105 4.803 4.448 -1.627 864 HE1 MET 105 3HE MET 105 2.436 3.545 0.962 865 HE2 MET 105 1HE MET 105 1.992 1.946 0.308 866 HE3 MET 105 2HE MET 105 0.888 3.314 0.186 867 H TYR 106 H TYR 106 3.706 0.787 -3.226 868 HA TYR 106 HA TYR 106 3.340 3.023 -5.062 869 HB2 TYR 106 2HB TYR 106 3.460 1.500 -7.041 870 HB3 TYR 106 1HB TYR 106 5.002 1.648 -6.209 871 HD1 TYR 106 2HD TYR 106 5.910 -0.224 -4.903 872 HD2 TYR 106 1HD TYR 106 2.155 -0.526 -6.964 873 HE1 TYR 106 2HE TYR 106 5.975 -2.662 -4.634 874 HE2 TYR 106 1HE TYR 106 2.203 -2.969 -6.710 875 HH TYR 106 HH TYR 106 3.840 -4.678 -6.394 876 H VAL 107 H VAL 107 1.481 2.701 -6.495 877 HA VAL 107 HA VAL 107 -0.653 1.311 -4.978 878 HB VAL 107 HB VAL 107 -0.694 3.927 -6.505 879 HG11 VAL 107 1HG1 VAL 107 -2.957 2.185 -5.533 880 HG12 VAL 107 2HG1 VAL 107 -2.750 3.004 -7.080 881 HG13 VAL 107 3HG1 VAL 107 -3.118 3.950 -5.637 882 HG21 VAL 107 3HG2 VAL 107 0.121 4.261 -4.284 883 HG22 VAL 107 1HG2 VAL 107 -1.015 3.099 -3.602 884 HG23 VAL 107 2HG2 VAL 107 -1.595 4.651 -4.187 885 H ASP 108 H ASP 108 -1.864 -0.114 -5.997 886 HA ASP 108 HA ASP 108 -1.644 -0.325 -8.935 887 HB2 ASP 108 2HB ASP 108 -0.597 -2.202 -7.537 888 HB3 ASP 108 1HB ASP 108 -2.228 -2.611 -7.064 889 H VAL 109 H VAL 109 -3.485 0.568 -9.681 890 HA VAL 109 HA VAL 109 -6.020 -0.225 -8.410 891 HB VAL 109 HB VAL 109 -5.770 2.085 -10.318 892 HG11 VAL 109 1HG1 VAL 109 -7.678 2.897 -8.928 893 HG12 VAL 109 2HG1 VAL 109 -7.713 1.312 -8.146 894 HG13 VAL 109 3HG1 VAL 109 -7.963 1.460 -9.890 895 HG21 VAL 109 3HG2 VAL 109 -5.771 3.286 -7.885 896 HG22 VAL 109 1HG2 VAL 109 -4.308 3.013 -8.831 897 HG23 VAL 109 2HG2 VAL 109 -4.741 1.891 -7.534 898 HA PRO 110 HA PRO 110 -6.757 -2.774 -11.920 899 HB2 PRO 110 2HB PRO 110 -9.609 -1.948 -11.649 900 HB3 PRO 110 1HB PRO 110 -8.893 -3.570 -11.674 901 HG2 PRO 110 2HG PRO 110 -9.730 -2.576 -9.384 902 HG3 PRO 110 1HG PRO 110 -8.181 -3.445 -9.449 903 HD2 PRO 110 2HD PRO 110 -8.679 -0.512 -9.363 904 HD3 PRO 110 1HD PRO 110 -7.483 -1.501 -8.484 905 H GLY 111 H GLY 111 -6.821 -2.375 -14.108 906 HA2 GLY 111 2HA GLY 111 -6.978 -1.273 -16.115 907 HA3 GLY 111 1HA GLY 111 -8.372 -0.425 -15.427 908 H GLU 112 H GLU 112 -5.658 0.077 -13.482 909 HA GLU 112 HA GLU 112 -5.173 2.675 -14.802 910 HB2 GLU 112 2HB GLU 112 -4.829 1.944 -11.901 911 HB3 GLU 112 1HB GLU 112 -4.524 3.509 -12.602 912 HG2 GLU 112 2HG GLU 112 -7.284 2.186 -12.679 913 HG3 GLU 112 1HG GLU 112 -6.782 3.383 -11.496 914 H LYS 113 H LYS 113 -2.998 3.536 -14.569 915 HA LYS 113 HA LYS 113 -0.951 1.609 -15.147 916 HB2 LYS 113 2HB LYS 113 -0.929 4.582 -14.778 917 HB3 LYS 113 1HB LYS 113 0.449 3.581 -15.312 918 HG2 LYS 113 2HG LYS 113 -0.748 2.737 -17.166 919 HG3 LYS 113 1HG LYS 113 -2.251 3.502 -16.666 920 HD2 LYS 113 2HD LYS 113 -1.209 5.669 -16.910 921 HD3 LYS 113 1HD LYS 113 0.280 4.917 -17.520 922 HE2 LYS 113 2HE LYS 113 -0.957 3.819 -19.265 923 HE3 LYS 113 1HE LYS 113 -2.454 4.510 -18.647 924 HZ1 LYS 113 3HZ LYS 113 -0.783 5.743 -20.549 925 HZ2 LYS 113 1HZ LYS 113 -0.595 6.628 -19.112 926 HZ3 LYS 113 2HZ LYS 113 -2.122 6.372 -19.773 927 H ARG 114 H ARG 114 0.920 1.316 -13.929 928 HA ARG 114 HA ARG 114 0.525 1.174 -11.100 929 HB2 ARG 114 2HB ARG 114 2.582 0.057 -10.997 930 HB3 ARG 114 1HB ARG 114 2.023 -0.317 -12.636 931 HG2 ARG 114 2HG ARG 114 3.350 1.778 -13.317 932 HG3 ARG 114 1HG ARG 114 4.129 1.635 -11.745 933 HD2 ARG 114 2HD ARG 114 4.543 -0.861 -12.382 934 HD3 ARG 114 1HD ARG 114 4.039 -0.321 -13.981 935 HE ARG 114 HE ARG 114 6.598 0.190 -12.737 936 HH11 ARG 114 1HH2 ARG 114 4.219 1.365 -15.003 937 HH12 ARG 114 2HH2 ARG 114 5.353 2.211 -15.965 938 HH21 ARG 114 1HH1 ARG 114 8.114 1.337 -14.032 939 HH22 ARG 114 2HH1 ARG 114 7.569 2.199 -15.414 940 H TYR 115 H TYR 115 1.279 2.444 -9.458 941 HA TYR 115 HA TYR 115 2.801 4.859 -10.212 942 HB2 TYR 115 2HB TYR 115 0.418 5.381 -10.065 943 HB3 TYR 115 1HB TYR 115 0.388 4.777 -8.409 944 HD1 TYR 115 1HD TYR 115 1.638 7.458 -10.646 945 HD2 TYR 115 2HD TYR 115 1.406 6.044 -6.590 946 HE1 TYR 115 1HE TYR 115 2.377 9.643 -9.851 947 HE2 TYR 115 2HE TYR 115 2.152 8.245 -5.782 948 HH TYR 115 HH TYR 115 2.857 10.899 -8.088 949 H TYR 116 H TYR 116 4.509 5.152 -8.993 950 HA TYR 116 HA TYR 116 4.729 3.693 -6.446 951 HB2 TYR 116 2HB TYR 116 6.780 4.935 -8.291 952 HB3 TYR 116 1HB TYR 116 7.138 4.424 -6.633 953 HD1 TYR 116 1HD TYR 116 5.671 3.179 -9.850 954 HD2 TYR 116 2HD TYR 116 7.707 2.200 -6.194 955 HE1 TYR 116 1HE TYR 116 5.976 0.867 -10.648 956 HE2 TYR 116 2HE TYR 116 8.004 -0.139 -7.006 957 HH TYR 116 HH TYR 116 8.111 -1.165 -9.595 958 H LEU 117 H LEU 117 3.833 4.842 -4.921 959 HA LEU 117 HA LEU 117 3.877 7.694 -4.661 960 HB2 LEU 117 2HB LEU 117 2.231 6.305 -3.516 961 HB3 LEU 117 1HB LEU 117 3.506 5.494 -2.625 962 HG LEU 117 HG LEU 117 4.155 7.665 -1.584 963 HD11 LEU 117 1HD1 LEU 117 2.368 9.505 -1.855 964 HD12 LEU 117 2HD1 LEU 117 2.003 8.732 -3.398 965 HD13 LEU 117 3HD1 LEU 117 3.635 9.341 -3.058 966 HD21 LEU 117 3HD2 LEU 117 1.990 6.092 -0.953 967 HD22 LEU 117 1HD2 LEU 117 1.266 7.701 -1.021 968 HD23 LEU 117 2HD2 LEU 117 2.638 7.380 0.039 969 H ILE 118 H ILE 118 5.836 5.001 -3.486 970 HA ILE 118 HA ILE 118 7.901 6.976 -2.778 971 HB ILE 118 HB ILE 118 7.277 4.331 -1.451 972 HG12 ILE 118 2HG1 ILE 118 7.162 7.159 -0.334 973 HG13 ILE 118 1HG1 ILE 118 5.751 6.234 -0.882 974 HG21 ILE 118 1HG2 ILE 118 9.169 4.740 -0.012 975 HG22 ILE 118 2HG2 ILE 118 9.312 6.391 -0.592 976 HG23 ILE 118 3HG2 ILE 118 9.765 5.054 -1.641 977 HD11 ILE 118 3HD1 ILE 118 5.686 5.617 1.356 978 HD12 ILE 118 1HD1 ILE 118 7.407 5.937 1.548 979 HD13 ILE 118 2HD1 ILE 118 6.878 4.438 0.810 980 H LYS 119 H LYS 119 9.642 6.785 -3.985 981 HA LYS 119 HA LYS 119 10.023 4.401 -5.647 982 HB2 LYS 119 2HB LYS 119 11.921 6.741 -5.627 983 HB3 LYS 119 1HB LYS 119 11.508 5.652 -6.940 984 HG2 LYS 119 2HG LYS 119 9.690 7.817 -5.795 985 HG3 LYS 119 1HG LYS 119 10.554 7.816 -7.339 986 HD2 LYS 119 2HD LYS 119 9.197 5.482 -7.620 987 HD3 LYS 119 1HD LYS 119 8.087 6.348 -6.556 988 HE2 LYS 119 2HE LYS 119 8.788 6.874 -9.390 989 HE3 LYS 119 1HE LYS 119 7.272 7.165 -8.542 990 HZ1 LYS 119 3HZ LYS 119 8.078 9.273 -8.942 991 HZ2 LYS 119 1HZ LYS 119 9.676 8.826 -8.738 992 HZ3 LYS 119 2HZ LYS 119 8.689 9.048 -7.377 993 HA PRO 120 HA PRO 120 12.673 2.829 -2.490 994 HB2 PRO 120 2HB PRO 120 13.807 0.803 -3.840 995 HB3 PRO 120 1HB PRO 120 12.165 0.730 -3.192 996 HG2 PRO 120 2HG PRO 120 13.038 1.265 -5.975 997 HG3 PRO 120 1HG PRO 120 11.665 0.308 -5.422 998 HD2 PRO 120 2HD PRO 120 11.364 2.825 -6.374 999 HD3 PRO 120 1HD PRO 120 10.295 2.179 -5.118 1000 H LYS 121 H LYS 121 14.924 2.447 -2.114 1001 HA LYS 121 HA LYS 121 16.502 4.561 -3.076 1002 HB2 LYS 121 2HB LYS 121 18.406 3.250 -1.981 1003 HB3 LYS 121 1HB LYS 121 17.082 3.790 -0.960 1004 HG2 LYS 121 2HG LYS 121 16.055 1.585 -0.960 1005 HG3 LYS 121 1HG LYS 121 17.175 1.006 -2.195 1006 HD2 LYS 121 2HD LYS 121 17.807 0.173 -0.149 1007 HD3 LYS 121 1HD LYS 121 19.039 1.382 -0.554 1008 HE2 LYS 121 2HE LYS 121 17.033 2.807 0.880 1009 HE3 LYS 121 1HE LYS 121 17.193 1.287 1.743 1010 HZ1 LYS 121 3HZ LYS 121 18.708 3.161 2.424 1011 HZ2 LYS 121 1HZ LYS 121 19.534 2.944 0.996 1012 HZ3 LYS 121 2HZ LYS 121 19.485 1.696 2.176 1013 H LEU 122 H LEU 122 15.855 3.949 -5.355 1014 HA LEU 122 HA LEU 122 17.169 1.789 -6.639 1015 HB2 LEU 122 2HB LEU 122 15.970 4.329 -7.780 1016 HB3 LEU 122 1HB LEU 122 16.508 2.962 -8.741 1017 HG LEU 122 HG LEU 122 14.376 2.826 -6.579 1018 HD11 LEU 122 1HD1 LEU 122 13.878 4.018 -8.859 1019 HD12 LEU 122 2HD1 LEU 122 12.759 2.816 -8.224 1020 HD13 LEU 122 3HD1 LEU 122 13.878 2.368 -9.496 1021 HD21 LEU 122 3HD2 LEU 122 15.813 0.757 -8.215 1022 HD22 LEU 122 1HD2 LEU 122 14.076 0.569 -8.043 1023 HD23 LEU 122 2HD2 LEU 122 15.098 0.624 -6.615 1024 H HIS 123 H HIS 123 18.984 1.743 -7.813 1025 HA HIS 123 HA HIS 123 20.991 3.615 -6.957 1026 HB2 HIS 123 2HB HIS 123 22.368 1.935 -8.563 1027 HB3 HIS 123 1HB HIS 123 22.050 1.620 -6.869 1028 HD1 HIS 123 1HD HIS 123 20.987 -0.643 -6.475 1029 HD2 HIS 123 2HD HIS 123 19.951 0.901 -10.225 1030 HE1 HIS 123 1HE HIS 123 19.523 -2.373 -7.607 1031 HE2 HIS 123 2HE HIS 123 18.881 -1.430 -9.879 1032 HA PRO 124 HA PRO 124 20.665 5.928 -10.877 1033 HB2 PRO 124 2HB PRO 124 22.995 7.310 -9.662 1034 HB3 PRO 124 1HB PRO 124 21.501 8.003 -10.310 1035 HG2 PRO 124 2HG PRO 124 21.885 7.973 -7.733 1036 HG3 PRO 124 1HG PRO 124 20.293 7.545 -8.371 1037 HD2 PRO 124 2HD PRO 124 22.437 5.694 -7.406 1038 HD3 PRO 124 1HD PRO 124 20.677 5.662 -7.067 1039 H VAL 125 H VAL 125 22.045 5.769 -12.730 1040 HA VAL 125 HA VAL 125 23.762 3.640 -13.072 1041 HB VAL 125 HB VAL 125 24.019 6.382 -14.305 1042 HG11 VAL 125 1HG1 VAL 125 24.869 4.931 -16.282 1043 HG12 VAL 125 2HG1 VAL 125 25.075 3.644 -15.103 1044 HG13 VAL 125 3HG1 VAL 125 25.966 5.167 -14.927 1045 HG21 VAL 125 3HG2 VAL 125 22.745 4.745 -16.140 1046 HG22 VAL 125 1HG2 VAL 125 21.912 5.893 -15.104 1047 HG23 VAL 125 2HG2 VAL 125 22.043 4.200 -14.627 1048 H SER 126 H SER 126 24.508 6.910 -12.065 1049 HA SER 126 HA SER 126 27.273 6.499 -11.538 1050 HB2 SER 126 2HB SER 126 25.464 8.537 -10.349 1051 HB3 SER 126 1HB SER 126 27.203 8.700 -10.677 1052 HG SER 126 HG SER 126 26.142 9.749 -12.319 1053 H ASN 127 H ASN 127 26.464 4.361 -10.398 1054 HA ASN 127 HA ASN 127 26.231 4.919 -7.487 1055 HB2 ASN 127 2HB ASN 127 24.931 2.904 -7.161 1056 HB3 ASN 127 1HB ASN 127 24.129 3.898 -8.354 1057 HD21 ASN 127 1HD2 ASN 127 24.996 3.274 -10.748 1058 HD22 ASN 127 2HD2 ASN 127 25.089 1.616 -11.072 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.620 4.995 21.938 2 HA2 GLY 1 2HA GLY 1 6.212 3.932 22.589 3 HA3 GLY 1 1HA GLY 1 4.892 3.038 23.314 4 H ALA 2 H ALA 2 6.642 1.958 21.358 5 HA ALA 2 HA ALA 2 5.573 2.002 18.727 6 HB1 ALA 2 1HB ALA 2 7.876 1.027 19.654 7 HB2 ALA 2 2HB ALA 2 7.120 0.367 18.209 8 HB3 ALA 2 3HB ALA 2 6.934 -0.459 19.743 9 H MET 3 H MET 3 4.983 -0.046 21.513 10 HA MET 3 HA MET 3 3.401 -1.708 21.886 11 HB2 MET 3 2HB MET 3 1.763 0.350 20.350 12 HB3 MET 3 1HB MET 3 1.138 -0.918 21.408 13 HG2 MET 3 2HG MET 3 2.279 0.023 23.327 14 HG3 MET 3 1HG MET 3 3.062 1.226 22.310 15 HE1 MET 3 3HE MET 3 2.472 3.199 23.373 16 HE2 MET 3 1HE MET 3 1.655 2.429 24.740 17 HE3 MET 3 2HE MET 3 0.896 3.772 23.900 18 H GLY 4 H GLY 4 1.055 -1.738 19.818 19 HA2 GLY 4 2HA GLY 4 2.348 -3.471 17.784 20 HA3 GLY 4 1HA GLY 4 0.675 -3.593 18.301 21 H SER 5 H SER 5 2.403 -0.598 17.702 22 HA SER 5 HA SER 5 0.230 0.285 16.012 23 HB2 SER 5 2HB SER 5 1.306 2.463 16.146 24 HB3 SER 5 1HB SER 5 1.071 1.760 17.739 25 HG SER 5 HG SER 5 3.304 1.088 17.635 26 H GLY 6 H GLY 6 3.218 -1.169 15.418 27 HA2 GLY 6 2HA GLY 6 4.314 0.221 13.344 28 HA3 GLY 6 1HA GLY 6 4.382 -1.534 13.437 29 H ASP 7 H ASP 7 2.001 -2.450 12.877 30 HA ASP 7 HA ASP 7 1.626 -2.061 10.096 31 HB2 ASP 7 2HB ASP 7 -0.320 -3.430 10.295 32 HB3 ASP 7 1HB ASP 7 0.897 -4.128 11.343 33 H THR 8 H THR 8 -0.141 -0.996 12.885 34 HA THR 8 HA THR 8 -2.249 0.289 11.572 35 HB THR 8 HB THR 8 -1.138 1.118 14.255 36 HG1 THR 8 1HG THR 8 -1.388 -1.257 13.925 37 HG21 THR 8 3HG2 THR 8 -3.926 1.045 13.055 38 HG22 THR 8 1HG2 THR 8 -2.970 2.476 13.428 39 HG23 THR 8 2HG2 THR 8 -3.566 1.456 14.732 40 H GLN 9 H GLN 9 0.791 1.626 12.865 41 HA GLN 9 HA GLN 9 0.323 4.288 12.005 42 HB2 GLN 9 2HB GLN 9 2.786 2.724 12.762 43 HB3 GLN 9 1HB GLN 9 2.911 4.343 12.101 44 HG2 GLN 9 2HG GLN 9 0.923 4.020 14.292 45 HG3 GLN 9 1HG GLN 9 2.617 3.870 14.736 46 HE21 GLN 9 1HE2 GLN 9 0.667 6.043 12.603 47 HE22 GLN 9 2HE2 GLN 9 1.437 7.455 13.099 48 H LEU 10 H LEU 10 2.138 1.577 10.593 49 HA LEU 10 HA LEU 10 2.860 3.038 8.298 50 HB2 LEU 10 2HB LEU 10 2.685 0.069 8.730 51 HB3 LEU 10 1HB LEU 10 3.374 0.835 7.294 52 HG LEU 10 HG LEU 10 4.362 1.098 10.156 53 HD11 LEU 10 1HD1 LEU 10 4.963 -0.753 8.242 54 HD12 LEU 10 2HD1 LEU 10 5.970 -0.288 9.619 55 HD13 LEU 10 3HD1 LEU 10 6.218 0.475 8.036 56 HD21 LEU 10 3HD2 LEU 10 6.215 2.466 8.763 57 HD22 LEU 10 1HD2 LEU 10 4.811 3.249 9.480 58 HD23 LEU 10 2HD2 LEU 10 4.815 2.837 7.766 59 H PHE 11 H PHE 11 0.082 0.944 8.980 60 HA PHE 11 HA PHE 11 -1.003 1.009 6.372 61 HB2 PHE 11 2HB PHE 11 -1.915 -0.539 7.966 62 HB3 PHE 11 1HB PHE 11 -2.304 0.751 9.092 63 HD1 PHE 11 1HD PHE 11 -3.114 -0.490 5.611 64 HD2 PHE 11 2HD PHE 11 -4.377 1.863 9.003 65 HE1 PHE 11 1HE PHE 11 -5.306 -0.168 4.578 66 HE2 PHE 11 2HE PHE 11 -6.582 2.180 7.952 67 HZ PHE 11 HZ PHE 11 -7.063 1.171 5.743 68 H ASN 12 H ASN 12 -1.516 3.076 9.204 69 HA ASN 12 HA ASN 12 -3.325 4.894 8.007 70 HB2 ASN 12 2HB ASN 12 -1.279 5.298 10.200 71 HB3 ASN 12 1HB ASN 12 -2.510 6.462 9.750 72 HD21 ASN 12 1HD2 ASN 12 -2.251 5.049 12.307 73 HD22 ASN 12 2HD2 ASN 12 -3.701 4.169 12.516 74 H ARG 13 H ARG 13 0.183 4.892 8.384 75 HA ARG 13 HA ARG 13 0.658 7.321 7.036 76 HB2 ARG 13 2HB ARG 13 2.394 4.954 7.674 77 HB3 ARG 13 1HB ARG 13 3.008 6.385 6.847 78 HG2 ARG 13 2HG ARG 13 2.327 7.822 8.652 79 HG3 ARG 13 1HG ARG 13 1.527 6.508 9.501 80 HD2 ARG 13 2HD ARG 13 3.480 5.482 10.069 81 HD3 ARG 13 1HD ARG 13 4.479 6.288 8.852 82 HE ARG 13 HE ARG 13 3.241 8.002 10.879 83 HH11 ARG 13 1HH2 ARG 13 6.002 6.044 10.039 84 HH12 ARG 13 2HH2 ARG 13 7.086 6.912 11.055 85 HH21 ARG 13 1HH1 ARG 13 4.706 9.123 12.262 86 HH22 ARG 13 2HH1 ARG 13 6.343 8.645 12.330 87 H ALA 14 H ALA 14 0.649 3.971 5.919 88 HA ALA 14 HA ALA 14 1.418 4.641 3.261 89 HB1 ALA 14 1HB ALA 14 1.650 2.342 4.221 90 HB2 ALA 14 2HB ALA 14 0.774 2.360 2.685 91 HB3 ALA 14 3HB ALA 14 -0.106 2.201 4.198 92 H VAL 15 H VAL 15 -1.754 3.935 4.745 93 HA VAL 15 HA VAL 15 -3.178 4.268 2.368 94 HB VAL 15 HB VAL 15 -3.915 3.168 4.588 95 HG11 VAL 15 1HG1 VAL 15 -3.640 5.361 5.882 96 HG12 VAL 15 2HG1 VAL 15 -5.144 4.489 6.129 97 HG13 VAL 15 3HG1 VAL 15 -5.119 5.902 5.081 98 HG21 VAL 15 3HG2 VAL 15 -5.609 4.755 2.682 99 HG22 VAL 15 1HG2 VAL 15 -6.371 3.912 4.024 100 HG23 VAL 15 2HG2 VAL 15 -5.446 3.008 2.829 101 H SER 16 H SER 16 -2.337 6.614 4.917 102 HA SER 16 HA SER 16 -3.976 8.688 4.020 103 HB2 SER 16 2HB SER 16 -2.103 10.161 5.074 104 HB3 SER 16 1HB SER 16 -3.031 9.106 6.111 105 HG SER 16 HG SER 16 -1.379 7.629 6.057 106 H MET 17 H MET 17 -0.664 7.874 3.195 107 HA MET 17 HA MET 17 -0.306 10.095 1.493 108 HB2 MET 17 2HB MET 17 1.105 7.444 1.523 109 HB3 MET 17 1HB MET 17 1.662 8.866 0.615 110 HG2 MET 17 2HG MET 17 1.459 10.055 2.999 111 HG3 MET 17 1HG MET 17 1.416 8.464 3.556 112 HE1 MET 17 3HE MET 17 2.970 6.794 3.752 113 HE2 MET 17 1HE MET 17 4.665 6.768 3.255 114 HE3 MET 17 2HE MET 17 3.401 6.488 2.080 115 H VAL 18 H VAL 18 -1.336 6.770 0.781 116 HA VAL 18 HA VAL 18 -1.327 7.214 -2.023 117 HB VAL 18 HB VAL 18 -2.482 5.078 -2.226 118 HG11 VAL 18 1HG1 VAL 18 -0.702 3.706 -1.141 119 HG12 VAL 18 2HG1 VAL 18 -0.218 5.108 -0.196 120 HG13 VAL 18 3HG1 VAL 18 -0.027 5.118 -1.949 121 HG21 VAL 18 3HG2 VAL 18 -2.614 5.313 0.780 122 HG22 VAL 18 1HG2 VAL 18 -2.820 3.774 -0.039 123 HG23 VAL 18 2HG2 VAL 18 -3.970 5.076 -0.318 124 H GLU 19 H GLU 19 -4.015 7.169 0.331 125 HA GLU 19 HA GLU 19 -6.088 7.475 -1.565 126 HB2 GLU 19 2HB GLU 19 -5.921 8.502 1.290 127 HB3 GLU 19 1HB GLU 19 -7.362 8.465 0.262 128 HG2 GLU 19 2HG GLU 19 -7.210 5.964 0.189 129 HG3 GLU 19 1HG GLU 19 -5.782 6.067 1.181 130 H LYS 20 H LYS 20 -3.984 9.713 0.065 131 HA LYS 20 HA LYS 20 -5.465 11.996 -0.905 132 HB2 LYS 20 2HB LYS 20 -3.017 11.939 0.853 133 HB3 LYS 20 1HB LYS 20 -4.159 13.261 0.686 134 HG2 LYS 20 2HG LYS 20 -4.905 10.497 1.739 135 HG3 LYS 20 1HG LYS 20 -4.559 11.881 2.754 136 HD2 LYS 20 2HD LYS 20 -6.651 12.730 2.465 137 HD3 LYS 20 1HD LYS 20 -6.560 12.566 0.724 138 HE2 LYS 20 2HE LYS 20 -8.388 11.146 1.624 139 HE3 LYS 20 1HE LYS 20 -7.131 10.232 0.848 140 HZ1 LYS 20 3HZ LYS 20 -7.758 10.361 3.729 141 HZ2 LYS 20 1HZ LYS 20 -6.163 10.069 3.304 142 HZ3 LYS 20 2HZ LYS 20 -7.389 9.030 2.805 143 H ASN 21 H ASN 21 -2.961 10.202 -2.182 144 HA ASN 21 HA ASN 21 -1.342 12.318 -3.246 145 HB2 ASN 21 2HB ASN 21 -0.474 9.979 -3.050 146 HB3 ASN 21 1HB ASN 21 -1.634 9.473 -4.237 147 HD21 ASN 21 1HD2 ASN 21 1.554 10.095 -4.115 148 HD22 ASN 21 2HD2 ASN 21 1.795 10.730 -5.670 149 H LYS 22 H LYS 22 -1.988 13.707 -4.703 150 HA LYS 22 HA LYS 22 -4.401 13.739 -6.022 151 HB2 LYS 22 2HB LYS 22 -3.545 15.495 -7.426 152 HB3 LYS 22 1HB LYS 22 -2.930 15.729 -5.796 153 HG2 LYS 22 2HG LYS 22 -1.408 14.475 -8.125 154 HG3 LYS 22 1HG LYS 22 -1.169 16.084 -7.493 155 HD2 LYS 22 2HD LYS 22 -0.577 15.070 -5.241 156 HD3 LYS 22 1HD LYS 22 -0.609 13.491 -5.988 157 HE2 LYS 22 2HE LYS 22 1.206 15.777 -6.775 158 HE3 LYS 22 1HE LYS 22 1.655 14.298 -5.946 159 HZ1 LYS 22 3HZ LYS 22 1.978 13.390 -7.974 160 HZ2 LYS 22 1HZ LYS 22 1.331 14.734 -8.718 161 HZ3 LYS 22 2HZ LYS 22 0.305 13.516 -8.287 162 H ASP 23 H ASP 23 -1.390 12.340 -7.214 163 HA ASP 23 HA ASP 23 -2.289 11.817 -9.853 164 HB2 ASP 23 2HB ASP 23 0.104 11.561 -8.755 165 HB3 ASP 23 1HB ASP 23 -0.461 9.955 -8.368 166 H ILE 24 H ILE 24 -2.188 9.918 -6.916 167 HA ILE 24 HA ILE 24 -3.629 7.698 -7.904 168 HB ILE 24 HB ILE 24 -3.090 8.603 -5.069 169 HG12 ILE 24 2HG1 ILE 24 -1.948 6.299 -6.684 170 HG13 ILE 24 1HG1 ILE 24 -1.165 7.876 -6.604 171 HG21 ILE 24 1HG2 ILE 24 -4.988 7.242 -4.872 172 HG22 ILE 24 2HG2 ILE 24 -3.652 6.119 -4.630 173 HG23 ILE 24 3HG2 ILE 24 -4.484 6.181 -6.191 174 HD11 ILE 24 3HD1 ILE 24 -0.367 7.480 -4.512 175 HD12 ILE 24 1HD1 ILE 24 -0.770 5.794 -4.834 176 HD13 ILE 24 2HD1 ILE 24 -1.907 6.816 -3.967 177 H ARG 25 H ARG 25 -4.634 10.598 -6.093 178 HA ARG 25 HA ARG 25 -7.313 9.943 -5.563 179 HB2 ARG 25 2HB ARG 25 -6.103 12.551 -6.459 180 HB3 ARG 25 1HB ARG 25 -7.763 12.420 -5.968 181 HG2 ARG 25 2HG ARG 25 -7.018 11.641 -3.709 182 HG3 ARG 25 1HG ARG 25 -5.337 11.770 -4.200 183 HD2 ARG 25 2HD ARG 25 -5.695 14.209 -4.702 184 HD3 ARG 25 1HD ARG 25 -7.323 14.070 -4.113 185 HE ARG 25 HE ARG 25 -4.856 14.046 -2.544 186 HH11 ARG 25 1HH2 ARG 25 -8.333 13.599 -2.612 187 HH12 ARG 25 2HH2 ARG 25 -8.565 13.980 -0.969 188 HH21 ARG 25 1HH1 ARG 25 -5.166 14.605 -0.319 189 HH22 ARG 25 2HH1 ARG 25 -6.724 14.596 0.351 190 H SER 26 H SER 26 -5.806 11.301 -8.395 191 HA SER 26 HA SER 26 -8.086 11.529 -10.054 192 HB2 SER 26 2HB SER 26 -5.228 11.020 -10.764 193 HB3 SER 26 1HB SER 26 -6.437 11.726 -11.846 194 HG SER 26 HG SER 26 -5.161 12.736 -9.506 195 H LEU 27 H LEU 27 -5.703 8.944 -9.534 196 HA LEU 27 HA LEU 27 -6.785 7.104 -11.432 197 HB2 LEU 27 2HB LEU 27 -5.128 6.601 -8.942 198 HB3 LEU 27 1HB LEU 27 -5.527 5.391 -10.148 199 HG LEU 27 HG LEU 27 -4.021 7.948 -10.755 200 HD11 LEU 27 1HD1 LEU 27 -2.672 5.334 -11.052 201 HD12 LEU 27 2HD1 LEU 27 -2.960 5.851 -9.390 202 HD13 LEU 27 3HD1 LEU 27 -2.057 6.882 -10.490 203 HD21 LEU 27 3HD2 LEU 27 -5.144 7.244 -12.749 204 HD22 LEU 27 1HD2 LEU 27 -4.822 5.540 -12.417 205 HD23 LEU 27 2HD2 LEU 27 -3.514 6.641 -12.887 206 H LEU 28 H LEU 28 -7.362 7.745 -8.032 207 HA LEU 28 HA LEU 28 -9.141 5.527 -7.657 208 HB2 LEU 28 2HB LEU 28 -8.679 8.022 -6.003 209 HB3 LEU 28 1HB LEU 28 -9.662 6.695 -5.454 210 HG LEU 28 HG LEU 28 -6.704 6.572 -6.142 211 HD11 LEU 28 1HD1 LEU 28 -7.177 7.751 -4.039 212 HD12 LEU 28 2HD1 LEU 28 -6.425 6.188 -3.729 213 HD13 LEU 28 3HD1 LEU 28 -8.155 6.388 -3.492 214 HD21 LEU 28 3HD2 LEU 28 -7.929 4.406 -6.614 215 HD22 LEU 28 1HD2 LEU 28 -8.492 4.430 -4.938 216 HD23 LEU 28 2HD2 LEU 28 -6.779 4.292 -5.295 217 H GLN 29 H GLN 29 -9.465 8.258 -9.443 218 HA GLN 29 HA GLN 29 -11.242 9.424 -10.316 219 HB2 GLN 29 2HB GLN 29 -13.027 7.222 -9.346 220 HB3 GLN 29 1HB GLN 29 -13.181 8.179 -10.824 221 HG2 GLN 29 2HG GLN 29 -11.059 6.062 -10.260 222 HG3 GLN 29 1HG GLN 29 -12.440 5.878 -11.321 223 HE21 GLN 29 1HE2 GLN 29 -9.250 6.335 -11.502 224 HE22 GLN 29 2HE2 GLN 29 -9.150 7.264 -12.918 225 H CYS 30 H CYS 30 -10.459 10.148 -7.803 226 HA CYS 30 HA CYS 30 -12.375 10.002 -5.804 227 HB2 CYS 30 2HB CYS 30 -9.871 10.851 -5.805 228 HB3 CYS 30 1HB CYS 30 -10.627 12.431 -5.917 229 HG CYS 30 HG CYS 30 -10.539 11.894 -3.379 230 H ASP 31 H ASP 31 -14.134 10.369 -7.556 231 HA ASP 31 HA ASP 31 -14.920 13.154 -7.953 232 HB2 ASP 31 2HB ASP 31 -16.393 10.582 -8.569 233 HB3 ASP 31 1HB ASP 31 -16.868 12.174 -9.097 234 H ASP 32 H ASP 32 -16.481 14.194 -6.740 235 HA ASP 32 HA ASP 32 -18.078 12.620 -4.858 236 HB2 ASP 32 2HB ASP 32 -16.161 14.802 -4.103 237 HB3 ASP 32 1HB ASP 32 -17.605 14.538 -3.143 238 H GLY 33 H GLY 33 -20.137 13.157 -5.137 239 HA2 GLY 33 2HA GLY 33 -21.873 14.797 -4.820 240 HA3 GLY 33 1HA GLY 33 -20.843 16.004 -5.553 241 H ILE 34 H ILE 34 -20.036 14.506 -7.841 242 HA ILE 34 HA ILE 34 -22.183 15.076 -9.584 243 HB ILE 34 HB ILE 34 -19.892 15.125 -10.356 244 HG12 ILE 34 2HG1 ILE 34 -20.095 13.746 -12.428 245 HG13 ILE 34 1HG1 ILE 34 -21.486 12.924 -11.741 246 HG21 ILE 34 1HG2 ILE 34 -18.399 13.430 -10.239 247 HG22 ILE 34 2HG2 ILE 34 -19.614 12.185 -10.430 248 HG23 ILE 34 3HG2 ILE 34 -19.377 12.946 -8.856 249 HD11 ILE 34 3HD1 ILE 34 -22.834 14.835 -11.863 250 HD12 ILE 34 1HD1 ILE 34 -21.850 14.968 -13.318 251 HD13 ILE 34 2HD1 ILE 34 -21.444 15.929 -11.904 252 H THR 35 H THR 35 -21.036 12.067 -8.192 253 HA THR 35 HA THR 35 -23.539 10.738 -9.023 254 HB THR 35 HB THR 35 -21.861 9.561 -10.207 255 HG1 THR 35 1HG THR 35 -22.407 8.391 -7.709 256 HG21 THR 35 3HG2 THR 35 -20.108 10.220 -7.860 257 HG22 THR 35 1HG2 THR 35 -19.818 10.402 -9.593 258 HG23 THR 35 2HG2 THR 35 -19.733 8.817 -8.844 259 H GLY 36 H GLY 36 -22.943 12.434 -6.741 260 HA2 GLY 36 2HA GLY 36 -23.467 12.401 -4.454 261 HA3 GLY 36 1HA GLY 36 -23.553 10.633 -4.525 262 H LYS 37 H LYS 37 -22.188 10.826 -2.580 263 HA LYS 37 HA LYS 37 -19.353 11.112 -3.375 264 HB2 LYS 37 2HB LYS 37 -20.738 11.776 -0.776 265 HB3 LYS 37 1HB LYS 37 -19.006 11.479 -0.895 266 HG2 LYS 37 2HG LYS 37 -18.882 13.709 -1.343 267 HG3 LYS 37 1HG LYS 37 -19.254 13.198 -2.972 268 HD2 LYS 37 2HD LYS 37 -20.734 15.015 -2.421 269 HD3 LYS 37 1HD LYS 37 -21.698 13.543 -2.476 270 HE2 LYS 37 2HE LYS 37 -21.975 13.459 -0.190 271 HE3 LYS 37 1HE LYS 37 -20.521 14.404 0.168 272 HZ1 LYS 37 3HZ LYS 37 -21.654 16.393 -0.529 273 HZ2 LYS 37 1HZ LYS 37 -22.700 15.577 0.506 274 HZ3 LYS 37 2HZ LYS 37 -22.965 15.499 -1.139 275 H GLU 38 H GLU 38 -18.326 9.292 -3.469 276 HA GLU 38 HA GLU 38 -19.292 6.922 -2.051 277 HB2 GLU 38 2HB GLU 38 -17.763 7.317 -4.478 278 HB3 GLU 38 1HB GLU 38 -16.836 6.350 -3.323 279 HG2 GLU 38 2HG GLU 38 -17.987 4.692 -4.294 280 HG3 GLU 38 1HG GLU 38 -19.168 5.077 -3.060 281 H ARG 39 H ARG 39 -17.793 5.652 -0.814 282 HA ARG 39 HA ARG 39 -16.075 7.436 0.794 283 HB2 ARG 39 2HB ARG 39 -17.335 4.798 1.548 284 HB3 ARG 39 1HB ARG 39 -16.309 5.775 2.586 285 HG2 ARG 39 2HG ARG 39 -18.917 6.740 1.371 286 HG3 ARG 39 1HG ARG 39 -18.712 6.168 3.024 287 HD2 ARG 39 2HD ARG 39 -16.927 7.973 3.351 288 HD3 ARG 39 1HD ARG 39 -17.375 8.544 1.758 289 HE ARG 39 HE ARG 39 -19.745 8.404 3.218 290 HH11 ARG 39 1HH2 ARG 39 -16.691 10.089 3.253 291 HH12 ARG 39 2HH2 ARG 39 -17.348 11.538 3.883 292 HH21 ARG 39 1HH1 ARG 39 -20.611 10.348 4.046 293 HH22 ARG 39 2HH1 ARG 39 -19.565 11.682 4.367 294 H LEU 40 H LEU 40 -14.031 7.159 0.965 295 HA LEU 40 HA LEU 40 -12.561 5.234 -0.590 296 HB2 LEU 40 2HB LEU 40 -11.698 7.028 1.693 297 HB3 LEU 40 1HB LEU 40 -10.612 6.142 0.646 298 HG LEU 40 HG LEU 40 -12.635 7.991 -0.627 299 HD11 LEU 40 1HD1 LEU 40 -11.667 9.385 1.046 300 HD12 LEU 40 2HD1 LEU 40 -10.891 9.796 -0.486 301 HD13 LEU 40 3HD1 LEU 40 -10.041 8.797 0.703 302 HD21 LEU 40 3HD2 LEU 40 -10.959 8.103 -2.366 303 HD22 LEU 40 1HD2 LEU 40 -11.088 6.401 -1.921 304 HD23 LEU 40 2HD2 LEU 40 -9.748 7.378 -1.323 305 H LYS 41 H LYS 41 -11.915 3.224 0.093 306 HA LYS 41 HA LYS 41 -11.926 2.653 2.976 307 HB2 LYS 41 2HB LYS 41 -13.222 0.858 0.895 308 HB3 LYS 41 1HB LYS 41 -12.932 0.410 2.560 309 HG2 LYS 41 2HG LYS 41 -14.410 2.993 2.217 310 HG3 LYS 41 1HG LYS 41 -15.247 1.552 1.698 311 HD2 LYS 41 2HD LYS 41 -15.801 1.850 4.011 312 HD3 LYS 41 1HD LYS 41 -14.717 0.478 3.913 313 HE2 LYS 41 2HE LYS 41 -14.091 2.009 5.766 314 HE3 LYS 41 1HE LYS 41 -12.809 1.863 4.573 315 HZ1 LYS 41 3HZ LYS 41 -13.407 4.036 3.655 316 HZ2 LYS 41 1HZ LYS 41 -13.297 4.155 5.318 317 HZ3 LYS 41 2HZ LYS 41 -14.805 4.097 4.603 318 H ALA 42 H ALA 42 -10.406 1.182 3.658 319 HA ALA 42 HA ALA 42 -8.632 0.095 1.603 320 HB1 ALA 42 1HB ALA 42 -7.784 1.790 3.954 321 HB2 ALA 42 2HB ALA 42 -7.483 2.072 2.250 322 HB3 ALA 42 3HB ALA 42 -6.661 0.754 3.072 323 H TYR 43 H TYR 43 -7.974 -1.947 1.988 324 HA TYR 43 HA TYR 43 -7.964 -3.092 4.650 325 HB2 TYR 43 2HB TYR 43 -9.596 -4.921 3.893 326 HB3 TYR 43 1HB TYR 43 -10.275 -3.369 4.371 327 HD1 TYR 43 1HD TYR 43 -9.049 -5.231 1.351 328 HD2 TYR 43 2HD TYR 43 -11.672 -2.194 2.894 329 HE1 TYR 43 1HE TYR 43 -10.088 -5.003 -0.871 330 HE2 TYR 43 2HE TYR 43 -12.696 -1.960 0.680 331 HH TYR 43 HH TYR 43 -12.853 -2.847 -1.392 332 H GLY 44 H GLY 44 -7.441 -5.529 4.572 333 HA2 GLY 44 2HA GLY 44 -5.160 -5.975 2.984 334 HA3 GLY 44 1HA GLY 44 -6.032 -7.143 3.960 335 H GLU 45 H GLU 45 -4.977 -7.356 1.231 336 HA GLU 45 HA GLU 45 -6.431 -7.274 -0.970 337 HB2 GLU 45 2HB GLU 45 -5.353 -9.753 0.242 338 HB3 GLU 45 1HB GLU 45 -5.627 -9.556 -1.520 339 HG2 GLU 45 2HG GLU 45 -3.937 -7.643 -1.383 340 HG3 GLU 45 1HG GLU 45 -3.605 -8.164 0.270 341 H LEU 46 H LEU 46 -8.618 -7.128 -0.991 342 HA LEU 46 HA LEU 46 -10.427 -8.276 0.619 343 HB2 LEU 46 2HB LEU 46 -12.172 -8.017 -1.104 344 HB3 LEU 46 1HB LEU 46 -11.250 -6.567 -0.834 345 HG LEU 46 HG LEU 46 -11.291 -8.411 -3.232 346 HD11 LEU 46 1HD1 LEU 46 -11.316 -5.417 -2.902 347 HD12 LEU 46 2HD1 LEU 46 -12.696 -6.441 -3.251 348 HD13 LEU 46 3HD1 LEU 46 -11.392 -6.277 -4.436 349 HD21 LEU 46 3HD2 LEU 46 -9.007 -6.505 -2.538 350 HD22 LEU 46 1HD2 LEU 46 -9.277 -7.214 -4.112 351 HD23 LEU 46 2HD2 LEU 46 -8.847 -8.265 -2.786 352 H ILE 47 H ILE 47 -10.284 -9.707 -2.663 353 HA ILE 47 HA ILE 47 -11.799 -11.899 -2.010 354 HB ILE 47 HB ILE 47 -10.669 -13.051 -3.946 355 HG12 ILE 47 2HG1 ILE 47 -8.554 -11.274 -3.408 356 HG13 ILE 47 1HG1 ILE 47 -8.754 -12.247 -4.853 357 HG21 ILE 47 1HG2 ILE 47 -11.732 -10.232 -4.345 358 HG22 ILE 47 2HG2 ILE 47 -12.666 -11.725 -4.285 359 HG23 ILE 47 3HG2 ILE 47 -11.553 -11.445 -5.615 360 HD11 ILE 47 3HD1 ILE 47 -9.823 -10.469 -6.038 361 HD12 ILE 47 1HD1 ILE 47 -8.378 -9.791 -5.305 362 HD13 ILE 47 2HD1 ILE 47 -9.962 -9.474 -4.600 363 H THR 48 H THR 48 -8.532 -11.337 -1.218 364 HA THR 48 HA THR 48 -7.614 -13.939 -0.689 365 HB THR 48 HB THR 48 -6.831 -11.580 0.974 366 HG1 THR 48 1HG THR 48 -6.796 -10.585 -0.822 367 HG21 THR 48 3HG2 THR 48 -4.891 -12.620 1.142 368 HG22 THR 48 1HG2 THR 48 -4.853 -13.165 -0.534 369 HG23 THR 48 2HG2 THR 48 -5.793 -14.069 0.649 370 H ASN 49 H ASN 49 -9.296 -11.511 1.263 371 HA ASN 49 HA ASN 49 -9.181 -13.073 3.661 372 HB2 ASN 49 2HB ASN 49 -10.008 -11.273 4.721 373 HB3 ASN 49 1HB ASN 49 -9.524 -10.434 3.263 374 HD21 ASN 49 1HD2 ASN 49 -11.449 -10.678 1.433 375 HD22 ASN 49 2HD2 ASN 49 -12.987 -10.316 2.031 376 H ASP 50 H ASP 50 -10.771 -13.904 1.028 377 HA ASP 50 HA ASP 50 -13.423 -14.169 1.786 378 HB2 ASP 50 2HB ASP 50 -13.680 -15.794 0.044 379 HB3 ASP 50 1HB ASP 50 -12.544 -14.600 -0.529 380 H LYS 51 H LYS 51 -11.131 -16.848 1.809 381 HA LYS 51 HA LYS 51 -12.474 -17.880 4.247 382 HB2 LYS 51 2HB LYS 51 -11.083 -19.585 2.159 383 HB3 LYS 51 1HB LYS 51 -12.137 -20.111 3.482 384 HG2 LYS 51 2HG LYS 51 -14.037 -19.004 2.446 385 HG3 LYS 51 1HG LYS 51 -12.994 -18.327 1.204 386 HD2 LYS 51 2HD LYS 51 -12.464 -21.079 1.133 387 HD3 LYS 51 1HD LYS 51 -14.204 -21.000 1.315 388 HE2 LYS 51 2HE LYS 51 -12.484 -20.069 -0.949 389 HE3 LYS 51 1HE LYS 51 -14.064 -20.836 -0.985 390 HZ1 LYS 51 3HZ LYS 51 -14.629 -18.679 -1.546 391 HZ2 LYS 51 1HZ LYS 51 -13.333 -18.029 -0.700 392 HZ3 LYS 51 2HZ LYS 51 -14.739 -18.511 0.131 393 H TRP 52 H TRP 52 -9.632 -19.289 2.879 394 HA TRP 52 HA TRP 52 -7.994 -18.471 5.203 395 HB2 TRP 52 2HB TRP 52 -6.722 -20.531 4.704 396 HB3 TRP 52 1HB TRP 52 -8.421 -20.899 5.021 397 HD1 TRP 52 HD TRP 52 -9.943 -21.643 2.985 398 HE1 TRP 52 1HE TRP 52 -9.390 -22.468 0.610 399 HE3 TRP 52 3HE TRP 52 -5.017 -20.317 2.713 400 HZ2 TRP 52 2HZ TRP 52 -7.153 -22.554 -1.174 401 HZ3 TRP 52 3HZ TRP 52 -3.703 -20.784 0.665 402 HH2 TRP 52 HH TRP 52 -4.763 -21.900 -1.272 403 H THR 53 H THR 53 -8.480 -17.895 1.946 404 HA THR 53 HA THR 53 -6.027 -18.106 0.766 405 HB THR 53 HB THR 53 -7.920 -15.833 0.116 406 HG1 THR 53 1HG THR 53 -9.379 -17.259 0.059 407 HG21 THR 53 3HG2 THR 53 -6.357 -17.763 -1.603 408 HG22 THR 53 1HG2 THR 53 -5.781 -16.170 -1.141 409 HG23 THR 53 2HG2 THR 53 -7.213 -16.317 -2.144 410 H ARG 54 H ARG 54 -7.409 -15.543 2.596 411 HA ARG 54 HA ARG 54 -6.475 -13.281 2.679 412 HB2 ARG 54 2HB ARG 54 -7.473 -14.587 4.637 413 HB3 ARG 54 1HB ARG 54 -5.827 -14.548 5.268 414 HG2 ARG 54 2HG ARG 54 -5.864 -12.004 4.767 415 HG3 ARG 54 1HG ARG 54 -7.596 -12.178 4.580 416 HD2 ARG 54 2HD ARG 54 -5.976 -12.995 6.924 417 HD3 ARG 54 1HD ARG 54 -6.980 -11.537 6.811 418 HE ARG 54 HE ARG 54 -8.900 -13.243 6.427 419 HH11 ARG 54 1HH2 ARG 54 -6.096 -13.891 8.433 420 HH12 ARG 54 2HH2 ARG 54 -6.904 -15.027 9.411 421 HH21 ARG 54 1HH1 ARG 54 -9.952 -14.765 7.736 422 HH22 ARG 54 2HH1 ARG 54 -9.125 -15.532 9.019 423 H ASN 55 H ASN 55 -4.069 -14.889 1.617 424 HA ASN 55 HA ASN 55 -1.737 -15.004 2.473 425 HB2 ASN 55 2HB ASN 55 -2.104 -14.333 0.081 426 HB3 ASN 55 1HB ASN 55 -2.220 -12.679 0.600 427 HD21 ASN 55 1HD2 ASN 55 0.119 -15.150 1.777 428 HD22 ASN 55 2HD2 ASN 55 1.477 -14.267 1.288 429 H ARG 56 H ARG 56 -2.073 -11.475 1.984 430 HA ARG 56 HA ARG 56 -1.248 -11.178 4.784 431 HB2 ARG 56 2HB ARG 56 -0.502 -8.812 3.424 432 HB3 ARG 56 1HB ARG 56 0.516 -9.967 4.251 433 HG2 ARG 56 2HG ARG 56 0.640 -11.346 2.199 434 HG3 ARG 56 1HG ARG 56 -0.363 -10.162 1.354 435 HD2 ARG 56 2HD ARG 56 1.844 -9.499 0.765 436 HD3 ARG 56 1HD ARG 56 1.385 -8.416 2.064 437 HE ARG 56 HE ARG 56 3.017 -9.373 3.398 438 HH11 ARG 56 1HH2 ARG 56 2.299 -11.442 0.673 439 HH12 ARG 56 2HH2 ARG 56 3.656 -12.459 0.906 440 HH21 ARG 56 1HH1 ARG 56 4.892 -10.812 3.737 441 HH22 ARG 56 2HH1 ARG 56 5.095 -12.089 2.616 442 HA PRO 57 HA PRO 57 -4.870 -8.520 4.981 443 HB2 PRO 57 2HB PRO 57 -4.926 -8.437 7.710 444 HB3 PRO 57 1HB PRO 57 -5.710 -9.717 6.763 445 HG2 PRO 57 2HG PRO 57 -3.088 -9.792 8.181 446 HG3 PRO 57 1HG PRO 57 -4.330 -11.045 8.069 447 HD2 PRO 57 2HD PRO 57 -2.111 -11.140 6.551 448 HD3 PRO 57 1HD PRO 57 -3.674 -11.732 5.952 449 H ILE 58 H ILE 58 -4.860 -6.335 6.500 450 HA ILE 58 HA ILE 58 -2.552 -4.937 5.730 451 HB ILE 58 HB ILE 58 -4.554 -4.200 7.894 452 HG12 ILE 58 2HG1 ILE 58 -4.357 -3.187 5.053 453 HG13 ILE 58 1HG1 ILE 58 -5.408 -4.541 5.485 454 HG21 ILE 58 1HG2 ILE 58 -3.740 -1.950 7.670 455 HG22 ILE 58 2HG2 ILE 58 -2.667 -2.397 6.350 456 HG23 ILE 58 3HG2 ILE 58 -2.316 -2.937 7.980 457 HD11 ILE 58 3HD1 ILE 58 -6.789 -3.185 6.807 458 HD12 ILE 58 1HD1 ILE 58 -6.377 -2.114 5.468 459 HD13 ILE 58 2HD1 ILE 58 -5.548 -1.955 7.008 460 H VAL 59 H VAL 59 -1.003 -6.525 6.465 461 HA VAL 59 HA VAL 59 0.067 -5.869 9.124 462 HB VAL 59 HB VAL 59 0.791 -8.230 9.360 463 HG11 VAL 59 1HG1 VAL 59 -1.170 -7.752 10.573 464 HG12 VAL 59 2HG1 VAL 59 -1.534 -9.216 9.671 465 HG13 VAL 59 3HG1 VAL 59 -2.162 -7.676 9.109 466 HG21 VAL 59 3HG2 VAL 59 0.419 -9.849 7.786 467 HG22 VAL 59 1HG2 VAL 59 0.294 -8.498 6.661 468 HG23 VAL 59 2HG2 VAL 59 -1.156 -9.204 7.339 469 H SER 60 H SER 60 2.392 -6.361 9.199 470 HA SER 60 HA SER 60 3.664 -6.312 6.527 471 HB2 SER 60 2HB SER 60 4.905 -5.487 9.160 472 HB3 SER 60 1HB SER 60 5.612 -5.360 7.567 473 HG SER 60 HG SER 60 3.136 -4.135 7.889 474 H THR 61 H THR 61 4.179 -8.428 6.061 475 HA THR 61 HA THR 61 4.607 -10.321 8.163 476 HB THR 61 HB THR 61 5.240 -11.861 6.380 477 HG1 THR 61 1HG THR 61 6.438 -10.270 5.203 478 HG21 THR 61 3HG2 THR 61 3.013 -10.107 5.340 479 HG22 THR 61 1HG2 THR 61 2.819 -11.201 6.711 480 HG23 THR 61 2HG2 THR 61 3.202 -11.854 5.120 481 H LYS 62 H LYS 62 6.134 -9.361 9.448 482 HA LYS 62 HA LYS 62 8.407 -8.103 8.478 483 HB2 LYS 62 2HB LYS 62 8.084 -9.251 11.244 484 HB3 LYS 62 1HB LYS 62 9.185 -7.976 10.759 485 HG2 LYS 62 2HG LYS 62 6.745 -7.039 9.808 486 HG3 LYS 62 1HG LYS 62 6.298 -7.826 11.313 487 HD2 LYS 62 2HD LYS 62 8.400 -6.517 12.288 488 HD3 LYS 62 1HD LYS 62 8.154 -5.499 10.894 489 HE2 LYS 62 2HE LYS 62 6.910 -4.559 12.782 490 HE3 LYS 62 1HE LYS 62 5.789 -5.108 11.551 491 HZ1 LYS 62 3HZ LYS 62 6.573 -6.821 13.846 492 HZ2 LYS 62 1HZ LYS 62 5.223 -6.996 12.828 493 HZ3 LYS 62 2HZ LYS 62 5.292 -5.717 13.912 494 H LYS 63 H LYS 63 10.443 -8.662 8.069 495 HA LYS 63 HA LYS 63 11.414 -11.365 8.771 496 HB2 LYS 63 2HB LYS 63 11.892 -10.017 6.131 497 HB3 LYS 63 1HB LYS 63 12.454 -11.613 6.616 498 HG2 LYS 63 2HG LYS 63 9.936 -12.224 6.911 499 HG3 LYS 63 1HG LYS 63 9.595 -10.772 5.986 500 HD2 LYS 63 2HD LYS 63 10.976 -13.288 5.103 501 HD3 LYS 63 1HD LYS 63 9.649 -12.451 4.335 502 HE2 LYS 63 2HE LYS 63 11.885 -10.598 4.331 503 HE3 LYS 63 1HE LYS 63 12.476 -12.163 3.838 504 HZ1 LYS 63 3HZ LYS 63 9.972 -11.373 2.585 505 HZ2 LYS 63 1HZ LYS 63 11.394 -12.064 1.944 506 HZ3 LYS 63 2HZ LYS 63 11.351 -10.410 2.255 507 H LEU 64 H LEU 64 13.729 -11.391 9.051 508 HA LEU 64 HA LEU 64 14.911 -8.724 9.500 509 HB2 LEU 64 2HB LEU 64 15.008 -10.747 11.185 510 HB3 LEU 64 1HB LEU 64 16.258 -11.353 10.120 511 HG LEU 64 HG LEU 64 17.518 -10.143 11.657 512 HD11 LEU 64 1HD1 LEU 64 16.941 -7.873 9.772 513 HD12 LEU 64 2HD1 LEU 64 17.909 -9.283 9.300 514 HD13 LEU 64 3HD1 LEU 64 18.414 -8.264 10.633 515 HD21 LEU 64 3HD2 LEU 64 16.801 -7.870 12.495 516 HD22 LEU 64 1HD2 LEU 64 15.767 -9.201 12.996 517 HD23 LEU 64 2HD2 LEU 64 15.253 -8.123 11.693 518 H ASP 65 H ASP 65 15.811 -7.910 7.637 519 HA ASP 65 HA ASP 65 16.692 -9.690 5.599 520 HB2 ASP 65 2HB ASP 65 16.449 -6.735 5.793 521 HB3 ASP 65 1HB ASP 65 17.509 -7.387 4.573 522 H LYS 66 H LYS 66 18.540 -10.018 4.780 523 HA LYS 66 HA LYS 66 20.938 -10.461 5.733 524 HB2 LYS 66 2HB LYS 66 21.862 -9.733 3.523 525 HB3 LYS 66 1HB LYS 66 20.419 -10.740 3.419 526 HG2 LYS 66 2HG LYS 66 20.099 -7.704 3.385 527 HG3 LYS 66 1HG LYS 66 20.578 -8.557 1.951 528 HD2 LYS 66 2HD LYS 66 18.574 -9.880 1.900 529 HD3 LYS 66 1HD LYS 66 17.996 -9.339 3.450 530 HE2 LYS 66 2HE LYS 66 17.854 -7.046 2.593 531 HE3 LYS 66 1HE LYS 66 18.319 -7.627 0.976 532 HZ1 LYS 66 3HZ LYS 66 15.790 -7.661 2.256 533 HZ2 LYS 66 1HZ LYS 66 16.233 -9.253 1.918 534 HZ3 LYS 66 2HZ LYS 66 16.172 -8.103 0.685 535 H GLU 67 H GLU 67 19.696 -7.188 5.138 536 HA GLU 67 HA GLU 67 22.135 -5.801 5.478 537 HB2 GLU 67 2HB GLU 67 19.259 -4.868 5.751 538 HB3 GLU 67 1HB GLU 67 20.639 -3.800 5.875 539 HG2 GLU 67 2HG GLU 67 21.382 -4.416 3.632 540 HG3 GLU 67 1HG GLU 67 20.041 -5.544 3.469 541 H GLY 68 H GLY 68 19.664 -6.873 7.676 542 HA2 GLY 68 2HA GLY 68 20.183 -7.274 10.030 543 HA3 GLY 68 1HA GLY 68 21.225 -5.854 9.986 544 H ARG 69 H ARG 69 18.204 -6.021 8.284 545 HA ARG 69 HA ARG 69 16.977 -4.019 10.069 546 HB2 ARG 69 2HB ARG 69 16.764 -4.256 7.049 547 HB3 ARG 69 1HB ARG 69 16.053 -3.012 8.054 548 HG2 ARG 69 2HG ARG 69 19.040 -3.482 7.850 549 HG3 ARG 69 1HG ARG 69 18.177 -2.312 6.874 550 HD2 ARG 69 2HD ARG 69 17.354 -1.230 9.000 551 HD3 ARG 69 1HD ARG 69 18.384 -2.357 9.877 552 HE ARG 69 HE ARG 69 19.684 -0.746 7.817 553 HH11 ARG 69 1HH2 ARG 69 18.914 -1.175 11.207 554 HH12 ARG 69 2HH2 ARG 69 20.261 -0.248 11.747 555 HH21 ARG 69 1HH1 ARG 69 21.476 0.489 8.589 556 HH22 ARG 69 2HH1 ARG 69 21.706 0.682 10.268 557 H THR 70 H THR 70 14.725 -4.270 10.228 558 HA THR 70 HA THR 70 13.740 -6.924 9.481 559 HB THR 70 HB THR 70 12.276 -4.830 11.102 560 HG1 THR 70 1HG THR 70 14.190 -5.464 12.107 561 HG21 THR 70 3HG2 THR 70 10.993 -6.810 11.888 562 HG22 THR 70 1HG2 THR 70 11.856 -7.806 10.714 563 HG23 THR 70 2HG2 THR 70 10.803 -6.502 10.167 564 H HIS 71 H HIS 71 12.681 -7.164 7.653 565 HA HIS 71 HA HIS 71 11.858 -4.897 6.027 566 HB2 HIS 71 2HB HIS 71 13.009 -7.144 5.312 567 HB3 HIS 71 1HB HIS 71 11.365 -7.760 5.291 568 HD1 HIS 71 1HD HIS 71 13.751 -6.413 3.106 569 HD2 HIS 71 2HD HIS 71 9.649 -5.669 3.581 570 HE1 HIS 71 1HE HIS 71 12.902 -5.384 0.921 571 HE2 HIS 71 2HE HIS 71 10.422 -4.967 1.195 572 H HIS 72 H HIS 72 9.835 -4.151 5.861 573 HA HIS 72 HA HIS 72 7.609 -5.645 7.068 574 HB2 HIS 72 2HB HIS 72 8.046 -2.768 6.276 575 HB3 HIS 72 1HB HIS 72 6.422 -3.389 6.384 576 HD1 HIS 72 1HD HIS 72 5.383 -3.395 8.638 577 HD2 HIS 72 2HD HIS 72 9.557 -3.023 8.845 578 HE1 HIS 72 1HE HIS 72 5.976 -2.874 11.071 579 HE2 HIS 72 2HE HIS 72 8.525 -2.583 11.167 580 H TYR 73 H TYR 73 6.434 -6.870 5.596 581 HA TYR 73 HA TYR 73 6.172 -5.843 2.827 582 HB2 TYR 73 2HB TYR 73 5.733 -8.643 3.844 583 HB3 TYR 73 1HB TYR 73 5.506 -8.117 2.196 584 HD1 TYR 73 1HD TYR 73 7.956 -8.863 4.785 585 HD2 TYR 73 2HD TYR 73 7.412 -7.550 0.760 586 HE1 TYR 73 1HE TYR 73 10.319 -9.276 4.359 587 HE2 TYR 73 2HE TYR 73 9.799 -7.968 0.297 588 HH TYR 73 HH TYR 73 11.997 -8.041 2.141 589 H MET 74 H MET 74 4.498 -4.471 3.185 590 HA MET 74 HA MET 74 1.964 -5.737 4.023 591 HB2 MET 74 2HB MET 74 2.854 -4.353 5.850 592 HB3 MET 74 1HB MET 74 2.935 -2.956 4.786 593 HG2 MET 74 2HG MET 74 0.476 -3.100 4.439 594 HG3 MET 74 1HG MET 74 0.409 -4.509 5.488 595 HE1 MET 74 3HE MET 74 1.243 -0.945 4.953 596 HE2 MET 74 1HE MET 74 2.627 -1.087 6.056 597 HE3 MET 74 2HE MET 74 1.214 -0.156 6.519 598 H ARG 75 H ARG 75 0.455 -5.624 2.670 599 HA ARG 75 HA ARG 75 0.305 -3.355 0.880 600 HB2 ARG 75 2HB ARG 75 -0.203 -4.821 -1.034 601 HB3 ARG 75 1HB ARG 75 1.437 -5.084 -0.442 602 HG2 ARG 75 2HG ARG 75 0.754 -7.005 0.788 603 HG3 ARG 75 1HG ARG 75 -0.933 -6.832 0.356 604 HD2 ARG 75 2HD ARG 75 -0.157 -6.999 -2.115 605 HD3 ARG 75 1HD ARG 75 1.425 -7.417 -1.467 606 HE ARG 75 HE ARG 75 -0.767 -9.097 -0.516 607 HH11 ARG 75 1HH2 ARG 75 1.657 -8.574 -2.984 608 HH12 ARG 75 2HH2 ARG 75 1.697 -10.213 -3.455 609 HH21 ARG 75 1HH1 ARG 75 -0.705 -11.225 -1.145 610 HH22 ARG 75 2HH1 ARG 75 0.341 -11.759 -2.398 611 H PHE 76 H PHE 76 -1.786 -2.940 0.198 612 HA PHE 76 HA PHE 76 -3.911 -4.596 1.201 613 HB2 PHE 76 2HB PHE 76 -4.993 -2.689 2.449 614 HB3 PHE 76 1HB PHE 76 -3.539 -3.356 3.191 615 HD1 PHE 76 1HD PHE 76 -4.977 -0.470 1.373 616 HD2 PHE 76 2HD PHE 76 -1.475 -2.073 3.290 617 HE1 PHE 76 1HE PHE 76 -3.932 1.783 1.376 618 HE2 PHE 76 2HE PHE 76 -0.446 0.167 3.283 619 HZ PHE 76 HZ PHE 76 -1.671 2.099 2.329 620 H HIS 77 H HIS 77 -6.039 -3.779 0.611 621 HA HIS 77 HA HIS 77 -5.871 -2.518 -2.042 622 HB2 HIS 77 2HB HIS 77 -7.693 -4.588 -0.849 623 HB3 HIS 77 1HB HIS 77 -8.267 -3.578 -2.156 624 HD1 HIS 77 1HD HIS 77 -5.331 -5.930 -1.428 625 HD2 HIS 77 2HD HIS 77 -7.435 -4.362 -4.679 626 HE1 HIS 77 1HE HIS 77 -4.498 -7.146 -3.490 627 HE2 HIS 77 2HE HIS 77 -5.747 -6.190 -5.469 628 H VAL 78 H VAL 78 -7.301 -0.886 -2.552 629 HA VAL 78 HA VAL 78 -8.848 0.154 -0.291 630 HB VAL 78 HB VAL 78 -8.195 2.381 -0.684 631 HG11 VAL 78 1HG1 VAL 78 -5.742 0.649 -1.120 632 HG12 VAL 78 2HG1 VAL 78 -6.430 1.122 0.438 633 HG13 VAL 78 3HG1 VAL 78 -5.718 2.338 -0.619 634 HG21 VAL 78 3HG2 VAL 78 -7.205 1.334 -3.340 635 HG22 VAL 78 1HG2 VAL 78 -6.599 2.868 -2.711 636 HG23 VAL 78 2HG2 VAL 78 -8.311 2.679 -3.034 637 H GLU 79 H GLU 79 -10.680 1.339 -0.862 638 HA GLU 79 HA GLU 79 -11.711 0.650 -3.537 639 HB2 GLU 79 2HB GLU 79 -13.168 1.226 -0.967 640 HB3 GLU 79 1HB GLU 79 -13.958 1.131 -2.535 641 HG2 GLU 79 2HG GLU 79 -13.262 -1.095 -2.899 642 HG3 GLU 79 1HG GLU 79 -12.206 -1.124 -1.507 643 H SER 80 H SER 80 -11.673 2.160 -4.924 644 HA SER 80 HA SER 80 -11.481 4.940 -4.149 645 HB2 SER 80 2HB SER 80 -11.737 4.192 -7.012 646 HB3 SER 80 1HB SER 80 -10.642 5.279 -6.202 647 HG SER 80 HG SER 80 -10.580 2.448 -6.219 648 H LYS 81 H LYS 81 -12.876 6.293 -5.931 649 HA LYS 81 HA LYS 81 -15.568 5.955 -5.049 650 HB2 LYS 81 2HB LYS 81 -14.547 7.528 -7.420 651 HB3 LYS 81 1HB LYS 81 -16.063 7.766 -6.595 652 HG2 LYS 81 2HG LYS 81 -13.313 8.235 -5.380 653 HG3 LYS 81 1HG LYS 81 -14.458 9.467 -5.893 654 HD2 LYS 81 2HD LYS 81 -15.846 7.759 -4.095 655 HD3 LYS 81 1HD LYS 81 -14.295 8.135 -3.345 656 HE2 LYS 81 2HE LYS 81 -15.031 10.643 -4.255 657 HE3 LYS 81 1HE LYS 81 -16.585 9.836 -3.996 658 HZ1 LYS 81 3HZ LYS 81 -14.515 10.341 -1.931 659 HZ2 LYS 81 1HZ LYS 81 -15.940 9.403 -1.670 660 HZ3 LYS 81 2HZ LYS 81 -16.046 10.985 -2.179 661 H LYS 82 H LYS 82 -13.768 5.014 -7.924 662 HA LYS 82 HA LYS 82 -16.201 3.716 -9.051 663 HB2 LYS 82 2HB LYS 82 -13.782 4.541 -10.644 664 HB3 LYS 82 1HB LYS 82 -15.398 4.166 -11.209 665 HG2 LYS 82 2HG LYS 82 -14.802 6.553 -9.412 666 HG3 LYS 82 1HG LYS 82 -14.878 6.645 -11.170 667 HD2 LYS 82 2HD LYS 82 -17.234 5.869 -11.076 668 HD3 LYS 82 1HD LYS 82 -17.137 5.762 -9.331 669 HE2 LYS 82 2HE LYS 82 -18.174 7.874 -10.032 670 HE3 LYS 82 1HE LYS 82 -16.675 8.177 -9.167 671 HZ1 LYS 82 3HZ LYS 82 -15.921 9.282 -10.963 672 HZ2 LYS 82 1HZ LYS 82 -17.354 8.995 -11.754 673 HZ3 LYS 82 2HZ LYS 82 -16.080 7.931 -11.959 674 H LYS 83 H LYS 83 -12.951 3.164 -7.982 675 HA LYS 83 HA LYS 83 -13.005 0.354 -8.934 676 HB2 LYS 83 2HB LYS 83 -10.662 2.260 -9.249 677 HB3 LYS 83 1HB LYS 83 -10.675 0.523 -9.571 678 HG2 LYS 83 2HG LYS 83 -12.543 2.471 -10.970 679 HG3 LYS 83 1HG LYS 83 -11.003 1.945 -11.635 680 HD2 LYS 83 2HD LYS 83 -11.676 -0.290 -11.821 681 HD3 LYS 83 1HD LYS 83 -13.076 -0.115 -10.781 682 HE2 LYS 83 2HE LYS 83 -13.057 1.700 -13.108 683 HE3 LYS 83 1HE LYS 83 -13.138 -0.012 -13.511 684 HZ1 LYS 83 3HZ LYS 83 -15.299 1.308 -12.968 685 HZ2 LYS 83 1HZ LYS 83 -14.884 1.013 -11.356 686 HZ3 LYS 83 2HZ LYS 83 -15.118 -0.270 -12.455 687 H ILE 84 H ILE 84 -11.334 -0.974 -7.978 688 HA ILE 84 HA ILE 84 -10.819 -0.241 -5.165 689 HB ILE 84 HB ILE 84 -10.785 -2.971 -6.498 690 HG12 ILE 84 2HG1 ILE 84 -12.857 -1.852 -4.594 691 HG13 ILE 84 1HG1 ILE 84 -13.052 -1.805 -6.342 692 HG21 ILE 84 1HG2 ILE 84 -10.509 -3.874 -4.350 693 HG22 ILE 84 2HG2 ILE 84 -10.905 -2.361 -3.554 694 HG23 ILE 84 3HG2 ILE 84 -9.365 -2.539 -4.381 695 HD11 ILE 84 3HD1 ILE 84 -12.334 -4.396 -5.036 696 HD12 ILE 84 1HD1 ILE 84 -13.183 -4.055 -6.546 697 HD13 ILE 84 2HD1 ILE 84 -14.013 -3.819 -5.004 698 H ALA 85 H ALA 85 -8.732 0.259 -4.752 699 HA ALA 85 HA ALA 85 -6.728 -0.413 -6.820 700 HB1 ALA 85 1HB ALA 85 -7.255 2.025 -5.447 701 HB2 ALA 85 2HB ALA 85 -6.018 1.686 -6.648 702 HB3 ALA 85 3HB ALA 85 -5.661 1.459 -4.945 703 H LEU 86 H LEU 86 -4.642 -1.064 -6.251 704 HA LEU 86 HA LEU 86 -4.524 -2.554 -3.710 705 HB2 LEU 86 2HB LEU 86 -4.397 -4.107 -5.497 706 HB3 LEU 86 1HB LEU 86 -3.351 -3.057 -6.432 707 HG LEU 86 HG LEU 86 -1.532 -3.379 -4.732 708 HD11 LEU 86 1HD1 LEU 86 -2.685 -5.737 -3.524 709 HD12 LEU 86 2HD1 LEU 86 -3.594 -4.282 -3.091 710 HD13 LEU 86 3HD1 LEU 86 -1.848 -4.368 -2.811 711 HD21 LEU 86 3HD2 LEU 86 -1.847 -4.879 -6.786 712 HD22 LEU 86 1HD2 LEU 86 -2.575 -6.052 -5.683 713 HD23 LEU 86 2HD2 LEU 86 -0.905 -5.552 -5.456 714 H VAL 87 H VAL 87 -3.022 -1.953 -2.253 715 HA VAL 87 HA VAL 87 -0.865 -0.141 -3.156 716 HB VAL 87 HB VAL 87 -2.416 -0.231 -0.558 717 HG11 VAL 87 1HG1 VAL 87 0.060 1.307 -1.328 718 HG12 VAL 87 2HG1 VAL 87 -0.203 0.273 0.086 719 HG13 VAL 87 3HG1 VAL 87 -1.015 1.827 -0.032 720 HG21 VAL 87 3HG2 VAL 87 -2.466 2.366 -1.587 721 HG22 VAL 87 1HG2 VAL 87 -3.769 1.193 -1.688 722 HG23 VAL 87 2HG2 VAL 87 -2.644 1.361 -3.025 723 H HIS 88 H HIS 88 1.127 -0.904 -2.827 724 HA HIS 88 HA HIS 88 1.532 -3.013 -0.798 725 HB2 HIS 88 2HB HIS 88 1.678 -4.217 -2.841 726 HB3 HIS 88 1HB HIS 88 2.524 -2.901 -3.638 727 HD1 HIS 88 1HD HIS 88 4.480 -4.521 -4.309 728 HD2 HIS 88 2HD HIS 88 3.984 -4.117 -0.159 729 HE1 HIS 88 1HE HIS 88 6.548 -5.491 -3.222 730 HE2 HIS 88 2HE HIS 88 6.298 -5.268 -0.745 731 H LEU 89 H LEU 89 2.853 -2.355 0.751 732 HA LEU 89 HA LEU 89 4.880 -0.343 0.071 733 HB2 LEU 89 2HB LEU 89 3.080 0.673 1.335 734 HB3 LEU 89 1HB LEU 89 3.211 -0.566 2.578 735 HG LEU 89 HG LEU 89 5.690 0.987 1.879 736 HD11 LEU 89 1HD1 LEU 89 3.384 2.401 2.505 737 HD12 LEU 89 2HD1 LEU 89 5.035 2.956 2.733 738 HD13 LEU 89 3HD1 LEU 89 4.175 2.191 4.061 739 HD21 LEU 89 3HD2 LEU 89 5.180 0.645 4.691 740 HD22 LEU 89 1HD2 LEU 89 6.420 -0.104 3.702 741 HD23 LEU 89 2HD2 LEU 89 4.856 -0.885 3.894 742 H GLU 90 H GLU 90 6.885 -0.743 0.678 743 HA GLU 90 HA GLU 90 7.295 -2.828 2.669 744 HB2 GLU 90 2HB GLU 90 8.882 -2.378 0.169 745 HB3 GLU 90 1HB GLU 90 9.578 -3.218 1.548 746 HG2 GLU 90 2HG GLU 90 7.730 -4.810 1.555 747 HG3 GLU 90 1HG GLU 90 6.957 -3.982 0.224 748 H ALA 91 H ALA 91 8.329 -2.311 4.353 749 HA ALA 91 HA ALA 91 10.019 0.090 4.392 750 HB1 ALA 91 1HB ALA 91 8.315 -0.550 6.765 751 HB2 ALA 91 2HB ALA 91 7.587 0.329 5.428 752 HB3 ALA 91 3HB ALA 91 8.991 0.992 6.261 753 H LYS 92 H LYS 92 11.594 0.040 6.132 754 HA LYS 92 HA LYS 92 11.814 -2.605 7.297 755 HB2 LYS 92 2HB LYS 92 14.180 -2.808 6.931 756 HB3 LYS 92 1HB LYS 92 13.371 -2.626 5.392 757 HG2 LYS 92 2HG LYS 92 13.944 -0.184 5.420 758 HG3 LYS 92 1HG LYS 92 14.832 -0.435 6.926 759 HD2 LYS 92 2HD LYS 92 16.289 -2.091 5.803 760 HD3 LYS 92 1HD LYS 92 15.443 -1.819 4.291 761 HE2 LYS 92 2HE LYS 92 16.115 0.573 4.343 762 HE3 LYS 92 1HE LYS 92 16.989 0.276 5.847 763 HZ1 LYS 92 3HZ LYS 92 17.709 -0.445 3.122 764 HZ2 LYS 92 1HZ LYS 92 18.111 -1.625 4.274 765 HZ3 LYS 92 2HZ LYS 92 18.670 -0.053 4.429 766 H GLU 93 H GLU 93 12.480 -2.741 9.291 767 HA GLU 93 HA GLU 93 12.420 -0.387 10.941 768 HB2 GLU 93 2HB GLU 93 13.300 -3.208 11.562 769 HB3 GLU 93 1HB GLU 93 13.011 -1.956 12.762 770 HG2 GLU 93 2HG GLU 93 10.910 -2.983 10.822 771 HG3 GLU 93 1HG GLU 93 11.072 -3.525 12.488 772 H SER 94 H SER 94 14.159 0.801 11.687 773 HA SER 94 HA SER 94 16.683 0.575 10.435 774 HB2 SER 94 2HB SER 94 16.310 1.919 13.117 775 HB3 SER 94 1HB SER 94 17.346 2.356 11.784 776 HG SER 94 HG SER 94 15.437 3.653 11.961 777 H LYS 95 H LYS 95 16.133 0.271 13.919 778 HA LYS 95 HA LYS 95 17.483 -2.305 13.852 779 HB2 LYS 95 2HB LYS 95 19.036 -0.287 14.608 780 HB3 LYS 95 1HB LYS 95 18.195 -0.471 16.136 781 HG2 LYS 95 2HG LYS 95 20.060 -1.912 16.296 782 HG3 LYS 95 1HG LYS 95 18.709 -2.984 15.957 783 HD2 LYS 95 2HD LYS 95 19.640 -2.206 13.402 784 HD3 LYS 95 1HD LYS 95 21.085 -2.451 14.368 785 HE2 LYS 95 2HE LYS 95 20.312 -4.682 15.044 786 HE3 LYS 95 1HE LYS 95 18.833 -4.465 14.137 787 HZ1 LYS 95 3HZ LYS 95 19.939 -4.554 12.094 788 HZ2 LYS 95 1HZ LYS 95 20.723 -5.714 13.025 789 HZ3 LYS 95 2HZ LYS 95 21.456 -4.218 12.771 790 H GLN 96 H GLN 96 16.368 -0.204 16.438 791 HA GLN 96 HA GLN 96 14.188 -2.137 17.026 792 HB2 GLN 96 2HB GLN 96 15.637 -0.585 19.187 793 HB3 GLN 96 1HB GLN 96 14.558 -1.954 19.347 794 HG2 GLN 96 2HG GLN 96 16.220 -3.436 19.113 795 HG3 GLN 96 1HG GLN 96 16.809 -2.703 17.642 796 HE21 GLN 96 1HE2 GLN 96 17.805 -0.303 18.328 797 HE22 GLN 96 2HE2 GLN 96 18.967 -0.413 19.550 798 H ASN 97 H ASN 97 14.435 0.491 15.564 799 HA ASN 97 HA ASN 97 13.260 2.535 17.109 800 HB2 ASN 97 2HB ASN 97 14.482 2.997 14.989 801 HB3 ASN 97 1HB ASN 97 13.118 2.305 14.104 802 HD21 ASN 97 1HD2 ASN 97 12.327 4.267 13.133 803 HD22 ASN 97 2HD2 ASN 97 11.756 5.561 14.066 804 H TYR 98 H TYR 98 11.225 3.575 16.771 805 HA TYR 98 HA TYR 98 8.994 1.858 17.117 806 HB2 TYR 98 2HB TYR 98 9.098 4.819 16.482 807 HB3 TYR 98 1HB TYR 98 7.660 3.940 16.976 808 HD1 TYR 98 1HD TYR 98 10.997 5.126 18.087 809 HD2 TYR 98 2HD TYR 98 7.344 3.187 19.249 810 HE1 TYR 98 1HE TYR 98 11.618 5.373 20.455 811 HE2 TYR 98 2HE TYR 98 7.972 3.448 21.629 812 HH TYR 98 HH TYR 98 10.008 5.485 22.773 813 H GLN 99 H GLN 99 10.023 3.923 14.400 814 HA GLN 99 HA GLN 99 8.058 2.533 12.708 815 HB2 GLN 99 2HB GLN 99 8.953 5.398 12.674 816 HB3 GLN 99 1HB GLN 99 8.144 4.659 11.294 817 HG2 GLN 99 2HG GLN 99 6.965 4.530 14.094 818 HG3 GLN 99 1HG GLN 99 6.605 5.843 12.999 819 HE21 GLN 99 1HE2 GLN 99 6.187 2.359 13.490 820 HE22 GLN 99 2HE2 GLN 99 4.988 2.172 12.303 821 HA PRO 100 HA PRO 100 11.534 1.233 10.189 822 HB2 PRO 100 2HB PRO 100 10.142 0.020 8.270 823 HB3 PRO 100 1HB PRO 100 10.263 -0.675 9.902 824 HG2 PRO 100 2HG PRO 100 8.051 0.917 8.702 825 HG3 PRO 100 1HG PRO 100 7.962 -0.577 9.670 826 HD2 PRO 100 2HD PRO 100 7.510 1.886 10.714 827 HD3 PRO 100 1HD PRO 100 8.205 0.563 11.682 828 H ASP 101 H ASP 101 12.434 1.821 8.179 829 HA ASP 101 HA ASP 101 11.431 4.271 6.957 830 HB2 ASP 101 2HB ASP 101 13.903 2.598 6.592 831 HB3 ASP 101 1HB ASP 101 13.466 3.794 5.400 832 H PHE 102 H PHE 102 10.444 4.425 4.976 833 HA PHE 102 HA PHE 102 9.251 2.029 3.901 834 HB2 PHE 102 2HB PHE 102 9.170 4.883 2.851 835 HB3 PHE 102 1HB PHE 102 8.243 3.545 2.208 836 HD1 PHE 102 1HD PHE 102 7.054 2.099 4.233 837 HD2 PHE 102 2HD PHE 102 7.983 6.295 4.284 838 HE1 PHE 102 1HE PHE 102 5.294 2.463 5.908 839 HE2 PHE 102 2HE PHE 102 6.214 6.661 5.976 840 HZ PHE 102 HZ PHE 102 4.866 4.761 6.791 841 H ILE 103 H ILE 103 10.525 0.663 2.853 842 HA ILE 103 HA ILE 103 12.802 1.379 1.295 843 HB ILE 103 HB ILE 103 11.166 -1.162 1.445 844 HG12 ILE 103 2HG1 ILE 103 13.936 -0.572 2.527 845 HG13 ILE 103 1HG1 ILE 103 12.479 -0.410 3.508 846 HG21 ILE 103 1HG2 ILE 103 12.278 -1.156 -0.701 847 HG22 ILE 103 2HG2 ILE 103 13.211 -2.193 0.366 848 HG23 ILE 103 3HG2 ILE 103 13.775 -0.561 0.021 849 HD11 ILE 103 3HD1 ILE 103 13.905 -2.719 3.299 850 HD12 ILE 103 1HD1 ILE 103 12.704 -2.969 2.036 851 HD13 ILE 103 2HD1 ILE 103 12.185 -2.653 3.679 852 H ASN 104 H ASN 104 9.472 0.401 0.581 853 HA ASN 104 HA ASN 104 9.552 1.807 -1.965 854 HB2 ASN 104 2HB ASN 104 10.496 -0.535 -2.336 855 HB3 ASN 104 1HB ASN 104 8.871 -1.128 -2.000 856 HD21 ASN 104 1HD2 ASN 104 10.598 -0.859 -4.562 857 HD22 ASN 104 2HD2 ASN 104 9.534 -0.174 -5.694 858 H MET 105 H MET 105 7.381 1.962 -2.848 859 HA MET 105 HA MET 105 5.224 0.647 -1.742 860 HB2 MET 105 2HB MET 105 4.516 1.819 0.025 861 HB3 MET 105 1HB MET 105 5.991 2.764 -0.045 862 HG2 MET 105 2HG MET 105 4.188 4.308 -0.044 863 HG3 MET 105 1HG MET 105 4.782 4.293 -1.689 864 HE1 MET 105 3HE MET 105 2.575 3.141 0.884 865 HE2 MET 105 1HE MET 105 1.759 1.746 0.164 866 HE3 MET 105 2HE MET 105 0.967 3.308 0.213 867 H TYR 106 H TYR 106 3.727 0.542 -3.234 868 HA TYR 106 HA TYR 106 3.270 2.825 -5.002 869 HB2 TYR 106 2HB TYR 106 3.405 1.404 -7.023 870 HB3 TYR 106 1HB TYR 106 4.951 1.537 -6.195 871 HD1 TYR 106 1HD TYR 106 2.090 -0.692 -6.926 872 HD2 TYR 106 2HD TYR 106 5.947 -0.354 -5.041 873 HE1 TYR 106 1HE TYR 106 2.197 -3.133 -6.725 874 HE2 TYR 106 2HE TYR 106 6.057 -2.797 -4.838 875 HH TYR 106 HH TYR 106 4.080 -4.871 -6.537 876 H VAL 107 H VAL 107 1.375 2.624 -6.292 877 HA VAL 107 HA VAL 107 -0.663 0.907 -5.013 878 HB VAL 107 HB VAL 107 -0.857 3.741 -6.045 879 HG11 VAL 107 1HG1 VAL 107 -3.269 3.557 -5.288 880 HG12 VAL 107 2HG1 VAL 107 -3.049 1.807 -5.258 881 HG13 VAL 107 3HG1 VAL 107 -2.871 2.696 -6.774 882 HG21 VAL 107 3HG2 VAL 107 -1.946 3.673 -3.540 883 HG22 VAL 107 1HG2 VAL 107 -0.254 4.051 -3.849 884 HG23 VAL 107 2HG2 VAL 107 -0.720 2.421 -3.391 885 H ASP 108 H ASP 108 -1.703 -0.421 -6.320 886 HA ASP 108 HA ASP 108 -1.399 -0.070 -9.233 887 HB2 ASP 108 2HB ASP 108 -0.829 -2.377 -7.967 888 HB3 ASP 108 1HB ASP 108 -2.541 -2.520 -7.999 889 H VAL 109 H VAL 109 -3.085 0.917 -10.148 890 HA VAL 109 HA VAL 109 -5.736 0.576 -8.946 891 HB VAL 109 HB VAL 109 -4.752 2.633 -10.941 892 HG11 VAL 109 1HG1 VAL 109 -7.432 2.273 -9.544 893 HG12 VAL 109 2HG1 VAL 109 -7.137 2.251 -11.281 894 HG13 VAL 109 3HG1 VAL 109 -6.963 3.746 -10.381 895 HG21 VAL 109 3HG2 VAL 109 -3.968 3.700 -9.115 896 HG22 VAL 109 1HG2 VAL 109 -4.640 2.484 -8.033 897 HG23 VAL 109 2HG2 VAL 109 -5.625 3.849 -8.542 898 HA PRO 110 HA PRO 110 -6.611 -2.402 -12.147 899 HB2 PRO 110 2HB PRO 110 -9.404 -1.404 -11.888 900 HB3 PRO 110 1HB PRO 110 -8.778 -3.058 -11.780 901 HG2 PRO 110 2HG PRO 110 -9.504 -1.811 -9.604 902 HG3 PRO 110 1HG PRO 110 -8.031 -2.802 -9.618 903 HD2 PRO 110 2HD PRO 110 -8.261 0.183 -9.647 904 HD3 PRO 110 1HD PRO 110 -7.072 -0.882 -8.848 905 H GLY 111 H GLY 111 -6.676 -2.295 -14.343 906 HA2 GLY 111 2HA GLY 111 -6.894 -1.462 -16.472 907 HA3 GLY 111 1HA GLY 111 -8.161 -0.408 -15.853 908 H GLU 112 H GLU 112 -5.734 0.354 -13.850 909 HA GLU 112 HA GLU 112 -4.686 2.446 -15.624 910 HB2 GLU 112 2HB GLU 112 -5.353 2.494 -12.706 911 HB3 GLU 112 1HB GLU 112 -4.503 3.811 -13.526 912 HG2 GLU 112 2HG GLU 112 -7.292 2.763 -14.157 913 HG3 GLU 112 1HG GLU 112 -6.916 4.281 -13.363 914 H LYS 113 H LYS 113 -2.561 3.249 -15.082 915 HA LYS 113 HA LYS 113 -0.764 1.080 -14.750 916 HB2 LYS 113 2HB LYS 113 -0.044 4.006 -14.776 917 HB3 LYS 113 1HB LYS 113 0.952 2.636 -15.252 918 HG2 LYS 113 2HG LYS 113 -1.469 3.754 -16.694 919 HG3 LYS 113 1HG LYS 113 0.176 3.587 -17.297 920 HD2 LYS 113 2HD LYS 113 -0.193 1.039 -16.815 921 HD3 LYS 113 1HD LYS 113 -1.893 1.439 -16.872 922 HE2 LYS 113 2HE LYS 113 0.135 1.802 -19.083 923 HE3 LYS 113 1HE LYS 113 -1.319 0.820 -19.111 924 HZ1 LYS 113 3HZ LYS 113 -1.089 3.753 -19.360 925 HZ2 LYS 113 1HZ LYS 113 -2.463 3.147 -18.620 926 HZ3 LYS 113 2HZ LYS 113 -2.098 2.690 -20.178 927 H ARG 114 H ARG 114 0.578 0.616 -13.161 928 HA ARG 114 HA ARG 114 -0.158 1.132 -10.508 929 HB2 ARG 114 2HB ARG 114 2.026 0.031 -9.949 930 HB3 ARG 114 1HB ARG 114 0.981 -0.902 -11.029 931 HG2 ARG 114 2HG ARG 114 2.415 0.474 -12.892 932 HG3 ARG 114 1HG ARG 114 3.586 0.437 -11.591 933 HD2 ARG 114 2HD ARG 114 3.266 -2.091 -11.448 934 HD3 ARG 114 1HD ARG 114 2.218 -1.947 -12.835 935 HE ARG 114 HE ARG 114 4.041 -1.711 -14.185 936 HH11 ARG 114 1HH2 ARG 114 4.841 -1.159 -10.877 937 HH12 ARG 114 2HH2 ARG 114 6.518 -1.037 -11.052 938 HH21 ARG 114 1HH1 ARG 114 6.332 -1.539 -14.574 939 HH22 ARG 114 2HH1 ARG 114 7.385 -1.240 -13.259 940 H TYR 115 H TYR 115 0.296 2.727 -9.180 941 HA TYR 115 HA TYR 115 2.162 4.812 -10.065 942 HB2 TYR 115 2HB TYR 115 -0.156 5.484 -9.583 943 HB3 TYR 115 1HB TYR 115 0.007 4.865 -7.945 944 HD1 TYR 115 1HD TYR 115 1.438 7.358 -10.339 945 HD2 TYR 115 2HD TYR 115 0.983 6.182 -6.233 946 HE1 TYR 115 1HE TYR 115 2.403 9.485 -9.635 947 HE2 TYR 115 2HE TYR 115 1.953 8.329 -5.514 948 HH TYR 115 HH TYR 115 2.526 10.924 -7.779 949 H TYR 116 H TYR 116 4.026 5.170 -8.999 950 HA TYR 116 HA TYR 116 4.575 3.600 -6.568 951 HB2 TYR 116 2HB TYR 116 6.361 5.083 -8.488 952 HB3 TYR 116 1HB TYR 116 6.899 4.553 -6.898 953 HD1 TYR 116 1HD TYR 116 5.204 3.253 -9.965 954 HD2 TYR 116 2HD TYR 116 7.711 2.383 -6.588 955 HE1 TYR 116 1HE TYR 116 5.603 1.002 -10.851 956 HE2 TYR 116 2HE TYR 116 8.105 0.122 -7.451 957 HH TYR 116 HH TYR 116 7.906 -1.227 -9.284 958 H LEU 117 H LEU 117 3.629 4.628 -4.941 959 HA LEU 117 HA LEU 117 3.615 7.437 -4.542 960 HB2 LEU 117 2HB LEU 117 2.002 5.979 -3.444 961 HB3 LEU 117 1HB LEU 117 3.302 5.164 -2.593 962 HG LEU 117 HG LEU 117 3.926 7.290 -1.479 963 HD11 LEU 117 1HD1 LEU 117 3.287 8.949 -3.045 964 HD12 LEU 117 2HD1 LEU 117 2.243 9.167 -1.651 965 HD13 LEU 117 3HD1 LEU 117 1.615 8.370 -3.093 966 HD21 LEU 117 3HD2 LEU 117 2.445 6.947 0.135 967 HD22 LEU 117 1HD2 LEU 117 1.817 5.649 -0.864 968 HD23 LEU 117 2HD2 LEU 117 1.032 7.229 -0.898 969 H ILE 118 H ILE 118 5.666 4.787 -3.368 970 HA ILE 118 HA ILE 118 7.694 6.808 -2.680 971 HB ILE 118 HB ILE 118 7.071 4.253 -1.189 972 HG12 ILE 118 2HG1 ILE 118 7.084 7.148 -0.275 973 HG13 ILE 118 1HG1 ILE 118 5.623 6.268 -0.719 974 HG21 ILE 118 1HG2 ILE 118 9.391 4.307 -0.982 975 HG22 ILE 118 2HG2 ILE 118 8.941 5.347 0.353 976 HG23 ILE 118 3HG2 ILE 118 9.469 6.058 -1.168 977 HD11 ILE 118 3HD1 ILE 118 6.487 4.513 1.064 978 HD12 ILE 118 1HD1 ILE 118 5.678 5.995 1.589 979 HD13 ILE 118 2HD1 ILE 118 7.431 5.890 1.628 980 H LYS 119 H LYS 119 9.453 6.642 -3.787 981 HA LYS 119 HA LYS 119 9.862 4.351 -5.503 982 HB2 LYS 119 2HB LYS 119 11.536 6.831 -5.190 983 HB3 LYS 119 1HB LYS 119 11.615 5.686 -6.524 984 HG2 LYS 119 2HG LYS 119 9.019 7.101 -5.854 985 HG3 LYS 119 1HG LYS 119 10.232 7.878 -6.847 986 HD2 LYS 119 2HD LYS 119 10.052 5.326 -7.987 987 HD3 LYS 119 1HD LYS 119 8.402 5.688 -7.515 988 HE2 LYS 119 2HE LYS 119 9.080 6.441 -9.839 989 HE3 LYS 119 1HE LYS 119 8.306 7.637 -8.813 990 HZ1 LYS 119 3HZ LYS 119 10.580 8.175 -10.061 991 HZ2 LYS 119 1HZ LYS 119 11.236 7.471 -8.680 992 HZ3 LYS 119 2HZ LYS 119 10.231 8.826 -8.553 993 HA PRO 120 HA PRO 120 12.651 2.590 -2.573 994 HB2 PRO 120 2HB PRO 120 13.943 0.831 -4.190 995 HB3 PRO 120 1HB PRO 120 12.325 0.548 -3.515 996 HG2 PRO 120 2HG PRO 120 13.062 1.520 -6.228 997 HG3 PRO 120 1HG PRO 120 11.797 0.365 -5.728 998 HD2 PRO 120 2HD PRO 120 11.214 2.906 -6.363 999 HD3 PRO 120 1HD PRO 120 10.312 2.037 -5.100 1000 H LYS 121 H LYS 121 14.805 2.597 -2.002 1001 HA LYS 121 HA LYS 121 16.175 4.849 -2.327 1002 HB2 LYS 121 2HB LYS 121 18.294 3.506 -1.849 1003 HB3 LYS 121 1HB LYS 121 16.977 3.443 -0.683 1004 HG2 LYS 121 2HG LYS 121 16.292 1.332 -2.373 1005 HG3 LYS 121 1HG LYS 121 18.032 1.236 -2.393 1006 HD2 LYS 121 2HD LYS 121 16.731 1.586 0.293 1007 HD3 LYS 121 1HD LYS 121 16.550 0.056 -0.524 1008 HE2 LYS 121 2HE LYS 121 18.604 0.393 1.025 1009 HE3 LYS 121 1HE LYS 121 18.816 -0.435 -0.511 1010 HZ1 LYS 121 3HZ LYS 121 19.297 2.051 -1.306 1011 HZ2 LYS 121 1HZ LYS 121 20.483 1.056 -0.654 1012 HZ3 LYS 121 2HZ LYS 121 19.743 2.219 0.319 1013 H LEU 122 H LEU 122 16.741 1.983 -4.319 1014 HA LEU 122 HA LEU 122 17.735 1.653 -6.349 1015 HB2 LEU 122 2HB LEU 122 16.547 4.401 -6.754 1016 HB3 LEU 122 1HB LEU 122 17.240 3.447 -8.054 1017 HG LEU 122 HG LEU 122 15.036 2.401 -6.254 1018 HD11 LEU 122 1HD1 LEU 122 13.910 4.122 -7.317 1019 HD12 LEU 122 2HD1 LEU 122 13.693 2.817 -8.486 1020 HD13 LEU 122 3HD1 LEU 122 14.911 4.050 -8.766 1021 HD21 LEU 122 3HD2 LEU 122 16.415 1.455 -8.774 1022 HD22 LEU 122 1HD2 LEU 122 14.754 0.970 -8.440 1023 HD23 LEU 122 2HD2 LEU 122 16.027 0.551 -7.309 1024 H HIS 123 H HIS 123 18.324 5.089 -5.794 1025 HA HIS 123 HA HIS 123 20.175 6.396 -5.860 1026 HB2 HIS 123 2HB HIS 123 21.542 3.820 -5.045 1027 HB3 HIS 123 1HB HIS 123 22.377 5.350 -5.198 1028 HD1 HIS 123 1HD HIS 123 22.531 4.449 -2.448 1029 HD2 HIS 123 2HD HIS 123 19.105 6.440 -3.791 1030 HE1 HIS 123 1HE HIS 123 21.326 5.330 -0.390 1031 HE2 HIS 123 2HE HIS 123 19.276 6.554 -1.188 1032 HA PRO 124 HA PRO 124 21.921 5.977 -10.009 1033 HB2 PRO 124 2HB PRO 124 24.091 7.687 -8.909 1034 HB3 PRO 124 1HB PRO 124 23.076 7.938 -10.340 1035 HG2 PRO 124 2HG PRO 124 22.683 9.383 -8.165 1036 HG3 PRO 124 1HG PRO 124 21.309 8.808 -9.128 1037 HD2 PRO 124 2HD PRO 124 22.291 7.797 -6.488 1038 HD3 PRO 124 1HD PRO 124 20.638 7.931 -7.118 1039 H VAL 125 H VAL 125 23.615 4.671 -10.892 1040 HA VAL 125 HA VAL 125 24.921 2.858 -9.156 1041 HB VAL 125 HB VAL 125 25.593 3.630 -12.015 1042 HG11 VAL 125 1HG1 VAL 125 26.647 1.250 -11.914 1043 HG12 VAL 125 2HG1 VAL 125 26.682 1.506 -10.174 1044 HG13 VAL 125 3HG1 VAL 125 27.553 2.604 -11.246 1045 HG21 VAL 125 3HG2 VAL 125 23.979 1.355 -10.807 1046 HG22 VAL 125 1HG2 VAL 125 24.462 1.434 -12.499 1047 HG23 VAL 125 2HG2 VAL 125 23.372 2.651 -11.839 1048 H SER 126 H SER 126 25.979 5.732 -10.883 1049 HA SER 126 HA SER 126 28.284 5.990 -9.052 1050 HB2 SER 126 2HB SER 126 27.696 7.471 -11.639 1051 HB3 SER 126 1HB SER 126 29.059 7.746 -10.580 1052 HG SER 126 HG SER 126 29.221 5.237 -10.931 1053 H ASN 127 H ASN 127 27.164 6.654 -7.286 1054 HA ASN 127 HA ASN 127 25.477 9.048 -7.544 1055 HB2 ASN 127 2HB ASN 127 24.846 8.423 -5.119 1056 HB3 ASN 127 1HB ASN 127 24.263 7.395 -6.427 1057 HD21 ASN 127 1HD2 ASN 127 25.137 5.279 -6.620 1058 HD22 ASN 127 2HD2 ASN 127 26.127 4.578 -5.428 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -2.068 1.143 24.151 2 HA2 GLY 1 2HA GLY 1 -0.430 2.854 23.655 3 HA3 GLY 1 1HA GLY 1 0.832 1.720 24.102 4 H ALA 2 H ALA 2 -1.992 1.098 22.081 5 HA ALA 2 HA ALA 2 -2.158 0.087 20.057 6 HB1 ALA 2 1HB ALA 2 -1.502 1.433 18.265 7 HB2 ALA 2 2HB ALA 2 0.002 1.924 19.035 8 HB3 ALA 2 3HB ALA 2 -1.536 2.582 19.591 9 H MET 3 H MET 3 -1.201 -1.829 20.968 10 HA MET 3 HA MET 3 1.585 -2.364 20.848 11 HB2 MET 3 2HB MET 3 -0.777 -4.236 21.149 12 HB3 MET 3 1HB MET 3 0.901 -4.670 21.438 13 HG2 MET 3 2HG MET 3 1.087 -2.952 23.186 14 HG3 MET 3 1HG MET 3 -0.572 -2.450 22.893 15 HE1 MET 3 3HE MET 3 -0.465 -3.773 26.282 16 HE2 MET 3 1HE MET 3 -2.014 -3.489 25.482 17 HE3 MET 3 2HE MET 3 -0.652 -2.439 25.152 18 H GLY 4 H GLY 4 2.803 -3.098 19.204 19 HA2 GLY 4 2HA GLY 4 3.424 -3.881 17.132 20 HA3 GLY 4 1HA GLY 4 2.015 -4.936 17.222 21 H SER 5 H SER 5 1.885 -1.458 17.386 22 HA SER 5 HA SER 5 -0.166 -1.315 15.411 23 HB2 SER 5 2HB SER 5 0.235 1.212 15.838 24 HB3 SER 5 1HB SER 5 -0.440 0.194 17.091 25 HG SER 5 HG SER 5 1.330 0.431 18.249 26 H GLY 6 H GLY 6 3.118 -1.520 14.999 27 HA2 GLY 6 2HA GLY 6 3.807 0.487 13.268 28 HA3 GLY 6 1HA GLY 6 4.468 -1.141 13.146 29 H ASP 7 H ASP 7 2.116 -2.532 12.456 30 HA ASP 7 HA ASP 7 1.967 -2.039 9.636 31 HB2 ASP 7 2HB ASP 7 0.119 -3.645 9.639 32 HB3 ASP 7 1HB ASP 7 1.511 -4.320 10.447 33 H THR 8 H THR 8 -0.138 -1.405 12.331 34 HA THR 8 HA THR 8 -2.261 -0.204 10.884 35 HB THR 8 HB THR 8 -1.406 0.493 13.699 36 HG1 THR 8 1HG THR 8 -1.778 -1.884 12.910 37 HG21 THR 8 3HG2 THR 8 -3.155 1.883 13.310 38 HG22 THR 8 1HG2 THR 8 -4.099 0.467 13.739 39 HG23 THR 8 2HG2 THR 8 -3.861 0.894 12.045 40 H GLN 9 H GLN 9 0.567 1.134 12.540 41 HA GLN 9 HA GLN 9 0.098 3.847 11.921 42 HB2 GLN 9 2HB GLN 9 2.412 2.206 12.833 43 HB3 GLN 9 1HB GLN 9 2.771 3.767 12.117 44 HG2 GLN 9 2HG GLN 9 0.574 3.659 14.131 45 HG3 GLN 9 1HG GLN 9 2.214 3.503 14.718 46 HE21 GLN 9 1HE2 GLN 9 0.092 5.670 12.862 47 HE22 GLN 9 2HE2 GLN 9 1.002 7.075 13.087 48 H LEU 10 H LEU 10 2.149 1.395 10.379 49 HA LEU 10 HA LEU 10 2.901 3.129 8.284 50 HB2 LEU 10 2HB LEU 10 2.967 0.118 8.419 51 HB3 LEU 10 1HB LEU 10 3.657 1.065 7.104 52 HG LEU 10 HG LEU 10 4.479 1.145 10.032 53 HD11 LEU 10 1HD1 LEU 10 6.486 0.846 7.964 54 HD12 LEU 10 2HD1 LEU 10 5.335 -0.496 8.034 55 HD13 LEU 10 3HD1 LEU 10 6.267 -0.024 9.480 56 HD21 LEU 10 3HD2 LEU 10 4.935 3.340 9.654 57 HD22 LEU 10 1HD2 LEU 10 4.815 3.202 7.903 58 HD23 LEU 10 2HD2 LEU 10 6.294 2.741 8.733 59 H PHE 11 H PHE 11 0.251 0.820 8.612 60 HA PHE 11 HA PHE 11 -0.754 1.044 5.973 61 HB2 PHE 11 2HB PHE 11 -1.628 -0.672 7.377 62 HB3 PHE 11 1HB PHE 11 -2.060 0.483 8.631 63 HD1 PHE 11 1HD PHE 11 -2.849 -0.482 5.081 64 HD2 PHE 11 2HD PHE 11 -4.152 1.585 8.632 65 HE1 PHE 11 1HE PHE 11 -5.056 -0.121 4.069 66 HE2 PHE 11 2HE PHE 11 -6.366 1.940 7.612 67 HZ PHE 11 HZ PHE 11 -6.834 1.096 5.335 68 H ASN 12 H ASN 12 -1.519 2.838 8.946 69 HA ASN 12 HA ASN 12 -3.404 4.603 7.802 70 HB2 ASN 12 2HB ASN 12 -1.547 4.881 10.168 71 HB3 ASN 12 1HB ASN 12 -2.707 6.110 9.719 72 HD21 ASN 12 1HD2 ASN 12 -2.504 3.954 11.959 73 HD22 ASN 12 2HD2 ASN 12 -4.092 3.322 12.031 74 H ARG 13 H ARG 13 0.055 4.832 8.338 75 HA ARG 13 HA ARG 13 0.434 7.433 7.285 76 HB2 ARG 13 2HB ARG 13 2.254 5.041 7.639 77 HB3 ARG 13 1HB ARG 13 2.810 6.644 7.156 78 HG2 ARG 13 2HG ARG 13 2.083 7.660 9.151 79 HG3 ARG 13 1HG ARG 13 1.153 6.274 9.682 80 HD2 ARG 13 2HD ARG 13 3.184 4.977 9.883 81 HD3 ARG 13 1HD ARG 13 4.211 6.321 9.403 82 HE ARG 13 HE ARG 13 2.909 5.845 11.963 83 HH11 ARG 13 1HH2 ARG 13 4.246 8.263 9.858 84 HH12 ARG 13 2HH2 ARG 13 4.594 9.375 11.100 85 HH21 ARG 13 1HH1 ARG 13 3.360 7.277 13.643 86 HH22 ARG 13 2HH1 ARG 13 4.068 8.806 13.326 87 H ALA 14 H ALA 14 0.786 4.162 5.895 88 HA ALA 14 HA ALA 14 1.546 4.970 3.302 89 HB1 ALA 14 1HB ALA 14 0.154 2.450 4.206 90 HB2 ALA 14 2HB ALA 14 1.902 2.688 4.061 91 HB3 ALA 14 3HB ALA 14 0.882 2.696 2.619 92 H VAL 15 H VAL 15 -1.649 4.031 4.606 93 HA VAL 15 HA VAL 15 -2.997 4.424 2.192 94 HB VAL 15 HB VAL 15 -3.756 3.187 4.341 95 HG11 VAL 15 1HG1 VAL 15 -5.047 5.854 4.926 96 HG12 VAL 15 2HG1 VAL 15 -3.587 5.277 5.749 97 HG13 VAL 15 3HG1 VAL 15 -5.090 4.380 5.892 98 HG21 VAL 15 3HG2 VAL 15 -5.418 2.920 2.824 99 HG22 VAL 15 1HG2 VAL 15 -5.312 4.585 2.258 100 HG23 VAL 15 2HG2 VAL 15 -6.236 4.205 3.696 101 H SER 16 H SER 16 -2.203 6.627 4.860 102 HA SER 16 HA SER 16 -3.815 8.775 4.042 103 HB2 SER 16 2HB SER 16 -2.762 8.626 6.262 104 HB3 SER 16 1HB SER 16 -1.181 8.754 5.541 105 HG SER 16 HG SER 16 -1.461 10.849 5.458 106 H MET 17 H MET 17 -0.452 7.856 3.316 107 HA MET 17 HA MET 17 0.026 10.160 1.759 108 HB2 MET 17 2HB MET 17 1.430 7.468 1.584 109 HB3 MET 17 1HB MET 17 1.957 8.986 0.849 110 HG2 MET 17 2HG MET 17 1.918 10.023 3.160 111 HG3 MET 17 1HG MET 17 1.659 8.458 3.793 112 HE1 MET 17 3HE MET 17 4.727 6.403 3.364 113 HE2 MET 17 1HE MET 17 3.365 6.326 2.230 114 HE3 MET 17 2HE MET 17 3.091 6.574 3.963 115 H VAL 18 H VAL 18 -1.111 6.928 0.823 116 HA VAL 18 HA VAL 18 -1.167 7.636 -1.946 117 HB VAL 18 HB VAL 18 -2.317 5.517 -2.339 118 HG11 VAL 18 1HG1 VAL 18 -0.529 4.048 -1.496 119 HG12 VAL 18 2HG1 VAL 18 -0.017 5.308 -0.371 120 HG13 VAL 18 3HG1 VAL 18 0.141 5.558 -2.106 121 HG21 VAL 18 3HG2 VAL 18 -3.777 5.209 -0.487 122 HG22 VAL 18 1HG2 VAL 18 -2.488 5.548 0.664 123 HG23 VAL 18 2HG2 VAL 18 -2.504 4.022 -0.209 124 H GLU 19 H GLU 19 -3.764 7.449 0.521 125 HA GLU 19 HA GLU 19 -5.850 7.950 -1.307 126 HB2 GLU 19 2HB GLU 19 -5.707 8.678 1.635 127 HB3 GLU 19 1HB GLU 19 -7.140 8.842 0.621 128 HG2 GLU 19 2HG GLU 19 -6.964 6.297 0.176 129 HG3 GLU 19 1HG GLU 19 -5.659 6.353 1.342 130 H LYS 20 H LYS 20 -3.677 10.058 0.394 131 HA LYS 20 HA LYS 20 -5.151 12.419 -0.487 132 HB2 LYS 20 2HB LYS 20 -2.617 12.293 1.147 133 HB3 LYS 20 1HB LYS 20 -3.774 13.611 1.073 134 HG2 LYS 20 2HG LYS 20 -4.441 10.826 2.142 135 HG3 LYS 20 1HG LYS 20 -4.090 12.234 3.136 136 HD2 LYS 20 2HD LYS 20 -6.081 13.314 2.493 137 HD3 LYS 20 1HD LYS 20 -6.343 12.262 1.106 138 HE2 LYS 20 2HE LYS 20 -6.874 10.406 2.438 139 HE3 LYS 20 1HE LYS 20 -6.301 11.128 3.935 140 HZ1 LYS 20 3HZ LYS 20 -8.773 11.693 2.381 141 HZ2 LYS 20 1HZ LYS 20 -8.172 12.868 3.439 142 HZ3 LYS 20 2HZ LYS 20 -8.579 11.360 4.018 143 H ASN 21 H ASN 21 -3.162 10.459 -2.021 144 HA ASN 21 HA ASN 21 -1.359 12.397 -3.212 145 HB2 ASN 21 2HB ASN 21 -0.677 10.032 -2.847 146 HB3 ASN 21 1HB ASN 21 -1.894 9.532 -4.006 147 HD21 ASN 21 1HD2 ASN 21 1.244 9.708 -3.952 148 HD22 ASN 21 2HD2 ASN 21 1.617 10.336 -5.484 149 H LYS 22 H LYS 22 -2.121 13.766 -4.614 150 HA LYS 22 HA LYS 22 -4.627 13.815 -5.686 151 HB2 LYS 22 2HB LYS 22 -4.009 15.678 -6.920 152 HB3 LYS 22 1HB LYS 22 -2.917 15.732 -5.549 153 HG2 LYS 22 2HG LYS 22 -2.225 14.665 -8.338 154 HG3 LYS 22 1HG LYS 22 -1.746 16.206 -7.676 155 HD2 LYS 22 2HD LYS 22 -0.938 13.600 -6.307 156 HD3 LYS 22 1HD LYS 22 0.015 14.387 -7.552 157 HE2 LYS 22 2HE LYS 22 -0.200 16.523 -6.042 158 HE3 LYS 22 1HE LYS 22 -0.659 15.348 -4.811 159 HZ1 LYS 22 3HZ LYS 22 1.408 14.136 -5.258 160 HZ2 LYS 22 1HZ LYS 22 1.658 15.701 -4.702 161 HZ3 LYS 22 2HZ LYS 22 1.875 15.311 -6.354 162 H ASP 23 H ASP 23 -1.736 12.571 -7.350 163 HA ASP 23 HA ASP 23 -3.025 12.089 -9.802 164 HB2 ASP 23 2HB ASP 23 -0.510 12.085 -9.367 165 HB3 ASP 23 1HB ASP 23 -0.716 10.475 -8.689 166 H ILE 24 H ILE 24 -2.378 10.065 -6.996 167 HA ILE 24 HA ILE 24 -3.672 7.767 -7.978 168 HB ILE 24 HB ILE 24 -3.115 8.627 -5.136 169 HG12 ILE 24 2HG1 ILE 24 -1.817 6.480 -6.846 170 HG13 ILE 24 1HG1 ILE 24 -1.160 8.110 -6.733 171 HG21 ILE 24 1HG2 ILE 24 -4.373 6.160 -6.298 172 HG22 ILE 24 2HG2 ILE 24 -4.837 7.085 -4.855 173 HG23 ILE 24 3HG2 ILE 24 -3.423 6.042 -4.811 174 HD11 ILE 24 3HD1 ILE 24 -0.345 7.765 -4.641 175 HD12 ILE 24 1HD1 ILE 24 -0.484 6.062 -5.073 176 HD13 ILE 24 2HD1 ILE 24 -1.761 6.840 -4.136 177 H ARG 25 H ARG 25 -4.870 10.461 -5.973 178 HA ARG 25 HA ARG 25 -7.452 9.384 -5.556 179 HB2 ARG 25 2HB ARG 25 -6.513 12.207 -5.810 180 HB3 ARG 25 1HB ARG 25 -8.183 11.845 -5.451 181 HG2 ARG 25 2HG ARG 25 -7.328 10.428 -3.498 182 HG3 ARG 25 1HG ARG 25 -5.727 11.070 -3.818 183 HD2 ARG 25 2HD ARG 25 -6.533 12.560 -2.152 184 HD3 ARG 25 1HD ARG 25 -6.837 13.401 -3.648 185 HE ARG 25 HE ARG 25 -9.125 13.117 -3.353 186 HH11 ARG 25 1HH2 ARG 25 -7.361 11.053 -1.175 187 HH12 ARG 25 2HH2 ARG 25 -8.690 10.758 -0.124 188 HH21 ARG 25 1HH1 ARG 25 -10.943 12.688 -1.981 189 HH22 ARG 25 2HH1 ARG 25 -10.767 11.703 -0.610 190 H SER 26 H SER 26 -6.145 11.303 -8.136 191 HA SER 26 HA SER 26 -8.491 11.485 -9.702 192 HB2 SER 26 2HB SER 26 -5.623 11.381 -10.476 193 HB3 SER 26 1HB SER 26 -6.925 12.042 -11.502 194 HG SER 26 HG SER 26 -5.645 12.994 -9.169 195 H LEU 27 H LEU 27 -5.876 9.100 -9.464 196 HA LEU 27 HA LEU 27 -6.825 7.298 -11.474 197 HB2 LEU 27 2HB LEU 27 -5.161 6.760 -8.982 198 HB3 LEU 27 1HB LEU 27 -5.497 5.595 -10.234 199 HG LEU 27 HG LEU 27 -4.155 8.251 -10.804 200 HD11 LEU 27 1HD1 LEU 27 -2.178 7.419 -10.230 201 HD12 LEU 27 2HD1 LEU 27 -2.463 5.902 -11.089 202 HD13 LEU 27 3HD1 LEU 27 -3.011 6.089 -9.434 203 HD21 LEU 27 3HD2 LEU 27 -5.067 5.919 -12.417 204 HD22 LEU 27 1HD2 LEU 27 -3.449 6.522 -12.779 205 HD23 LEU 27 2HD2 LEU 27 -4.837 7.606 -12.881 206 H LEU 28 H LEU 28 -7.426 7.713 -8.021 207 HA LEU 28 HA LEU 28 -9.174 5.432 -7.803 208 HB2 LEU 28 2HB LEU 28 -8.743 7.791 -5.928 209 HB3 LEU 28 1HB LEU 28 -9.634 6.376 -5.485 210 HG LEU 28 HG LEU 28 -6.695 6.479 -6.210 211 HD11 LEU 28 1HD1 LEU 28 -7.125 7.433 -4.012 212 HD12 LEU 28 2HD1 LEU 28 -6.379 5.853 -3.828 213 HD13 LEU 28 3HD1 LEU 28 -8.094 6.035 -3.555 214 HD21 LEU 28 3HD2 LEU 28 -6.571 4.158 -5.692 215 HD22 LEU 28 1HD2 LEU 28 -7.895 4.287 -6.835 216 HD23 LEU 28 2HD2 LEU 28 -8.226 4.088 -5.112 217 H GLN 29 H GLN 29 -9.483 8.153 -9.495 218 HA GLN 29 HA GLN 29 -11.194 9.449 -10.233 219 HB2 GLN 29 2HB GLN 29 -12.926 7.107 -9.457 220 HB3 GLN 29 1HB GLN 29 -13.238 8.288 -10.735 221 HG2 GLN 29 2HG GLN 29 -11.013 6.205 -10.689 222 HG3 GLN 29 1HG GLN 29 -12.430 6.181 -11.724 223 HE21 GLN 29 1HE2 GLN 29 -9.265 6.752 -11.959 224 HE22 GLN 29 2HE2 GLN 29 -9.274 7.999 -13.123 225 H CYS 30 H CYS 30 -10.435 9.972 -7.698 226 HA CYS 30 HA CYS 30 -12.256 9.747 -5.652 227 HB2 CYS 30 2HB CYS 30 -9.793 10.921 -6.055 228 HB3 CYS 30 1HB CYS 30 -10.746 12.243 -5.412 229 HG CYS 30 HG CYS 30 -9.637 10.081 -3.774 230 H ASP 31 H ASP 31 -14.153 10.115 -7.125 231 HA ASP 31 HA ASP 31 -14.981 12.867 -7.600 232 HB2 ASP 31 2HB ASP 31 -16.239 10.203 -8.132 233 HB3 ASP 31 1HB ASP 31 -17.103 11.696 -8.422 234 H ASP 32 H ASP 32 -15.968 14.055 -6.111 235 HA ASP 32 HA ASP 32 -17.754 12.733 -4.161 236 HB2 ASP 32 2HB ASP 32 -15.988 15.157 -3.743 237 HB3 ASP 32 1HB ASP 32 -17.335 14.776 -2.698 238 H GLY 33 H GLY 33 -19.714 13.694 -3.773 239 HA2 GLY 33 2HA GLY 33 -21.495 15.148 -4.000 240 HA3 GLY 33 1HA GLY 33 -20.393 16.263 -4.789 241 H ILE 34 H ILE 34 -19.585 15.028 -7.020 242 HA ILE 34 HA ILE 34 -21.641 15.452 -8.813 243 HB ILE 34 HB ILE 34 -19.450 15.460 -9.637 244 HG12 ILE 34 2HG1 ILE 34 -20.576 12.897 -10.782 245 HG13 ILE 34 1HG1 ILE 34 -21.309 14.439 -11.161 246 HG21 ILE 34 1HG2 ILE 34 -17.830 14.006 -9.123 247 HG22 ILE 34 2HG2 ILE 34 -18.799 12.623 -9.541 248 HG23 ILE 34 3HG2 ILE 34 -18.920 13.321 -7.918 249 HD11 ILE 34 3HD1 ILE 34 -18.800 15.097 -11.709 250 HD12 ILE 34 1HD1 ILE 34 -19.788 14.232 -12.891 251 HD13 ILE 34 2HD1 ILE 34 -18.631 13.350 -11.885 252 H THR 35 H THR 35 -20.690 12.397 -7.362 253 HA THR 35 HA THR 35 -23.218 11.263 -8.345 254 HB THR 35 HB THR 35 -22.147 9.471 -9.146 255 HG1 THR 35 1HG THR 35 -21.654 9.116 -6.604 256 HG21 THR 35 3HG2 THR 35 -20.526 11.063 -9.932 257 HG22 THR 35 1HG2 THR 35 -19.689 9.586 -9.465 258 HG23 THR 35 2HG2 THR 35 -19.636 10.973 -8.399 259 H GLY 36 H GLY 36 -22.565 12.861 -5.968 260 HA2 GLY 36 2HA GLY 36 -23.270 12.809 -3.729 261 HA3 GLY 36 1HA GLY 36 -23.441 11.052 -3.844 262 H LYS 37 H LYS 37 -22.069 11.122 -1.818 263 HA LYS 37 HA LYS 37 -19.208 11.222 -2.646 264 HB2 LYS 37 2HB LYS 37 -20.482 11.820 0.014 265 HB3 LYS 37 1HB LYS 37 -18.781 11.447 -0.156 266 HG2 LYS 37 2HG LYS 37 -18.563 13.693 -0.450 267 HG3 LYS 37 1HG LYS 37 -18.941 13.313 -2.118 268 HD2 LYS 37 2HD LYS 37 -20.324 15.170 -1.344 269 HD3 LYS 37 1HD LYS 37 -21.345 13.775 -1.660 270 HE2 LYS 37 2HE LYS 37 -21.995 13.631 0.500 271 HE3 LYS 37 1HE LYS 37 -20.353 13.804 1.121 272 HZ1 LYS 37 3HZ LYS 37 -22.019 16.065 0.130 273 HZ2 LYS 37 1HZ LYS 37 -20.529 16.150 0.921 274 HZ3 LYS 37 2HZ LYS 37 -21.879 15.601 1.752 275 H GLU 38 H GLU 38 -18.399 9.305 -2.881 276 HA GLU 38 HA GLU 38 -19.386 7.068 -1.280 277 HB2 GLU 38 2HB GLU 38 -19.163 6.416 -3.531 278 HB3 GLU 38 1HB GLU 38 -17.611 7.147 -3.766 279 HG2 GLU 38 2HG GLU 38 -17.265 4.782 -3.539 280 HG3 GLU 38 1HG GLU 38 -16.689 5.451 -2.033 281 H ARG 39 H ARG 39 -17.927 5.839 -0.055 282 HA ARG 39 HA ARG 39 -15.824 7.541 1.162 283 HB2 ARG 39 2HB ARG 39 -17.150 5.054 2.235 284 HB3 ARG 39 1HB ARG 39 -15.961 6.016 3.090 285 HG2 ARG 39 2HG ARG 39 -18.662 7.045 2.138 286 HG3 ARG 39 1HG ARG 39 -18.292 6.556 3.785 287 HD2 ARG 39 2HD ARG 39 -16.404 8.340 3.743 288 HD3 ARG 39 1HD ARG 39 -17.124 8.859 2.237 289 HE ARG 39 HE ARG 39 -18.919 9.734 3.369 290 HH11 ARG 39 1HH2 ARG 39 -16.951 7.781 5.460 291 HH12 ARG 39 2HH2 ARG 39 -17.678 8.262 6.922 292 HH21 ARG 39 1HH1 ARG 39 -19.965 10.433 5.328 293 HH22 ARG 39 2HH1 ARG 39 -19.434 9.835 6.829 294 H LEU 40 H LEU 40 -13.736 6.981 1.073 295 HA LEU 40 HA LEU 40 -12.954 4.793 -0.611 296 HB2 LEU 40 2HB LEU 40 -11.378 6.742 1.099 297 HB3 LEU 40 1HB LEU 40 -10.622 5.433 0.220 298 HG LEU 40 HG LEU 40 -11.934 6.336 -1.859 299 HD11 LEU 40 1HD1 LEU 40 -13.382 7.957 -1.062 300 HD12 LEU 40 2HD1 LEU 40 -12.015 8.949 -1.558 301 HD13 LEU 40 3HD1 LEU 40 -12.233 8.544 0.143 302 HD21 LEU 40 3HD2 LEU 40 -10.074 7.688 -2.479 303 HD22 LEU 40 1HD2 LEU 40 -9.393 6.504 -1.360 304 HD23 LEU 40 2HD2 LEU 40 -9.738 8.145 -0.814 305 H LYS 41 H LYS 41 -12.250 2.821 0.008 306 HA LYS 41 HA LYS 41 -12.113 2.256 2.907 307 HB2 LYS 41 2HB LYS 41 -13.520 0.708 0.736 308 HB3 LYS 41 1HB LYS 41 -12.971 -0.090 2.198 309 HG2 LYS 41 2HG LYS 41 -14.617 2.436 2.425 310 HG3 LYS 41 1HG LYS 41 -15.390 0.911 2.086 311 HD2 LYS 41 2HD LYS 41 -15.445 0.858 4.414 312 HD3 LYS 41 1HD LYS 41 -13.972 -0.027 4.111 313 HE2 LYS 41 2HE LYS 41 -13.954 1.870 5.876 314 HE3 LYS 41 1HE LYS 41 -12.596 1.782 4.758 315 HZ1 LYS 41 3HZ LYS 41 -13.401 3.698 3.584 316 HZ2 LYS 41 1HZ LYS 41 -13.732 3.974 5.199 317 HZ3 LYS 41 2HZ LYS 41 -14.986 3.488 4.212 318 H ALA 42 H ALA 42 -10.520 0.900 3.575 319 HA ALA 42 HA ALA 42 -8.787 -0.190 1.502 320 HB1 ALA 42 1HB ALA 42 -7.522 1.693 2.026 321 HB2 ALA 42 2HB ALA 42 -6.837 0.478 3.090 322 HB3 ALA 42 3HB ALA 42 -7.984 1.665 3.725 323 H TYR 43 H TYR 43 -8.200 -2.232 1.882 324 HA TYR 43 HA TYR 43 -8.209 -3.320 4.578 325 HB2 TYR 43 2HB TYR 43 -9.760 -5.184 3.816 326 HB3 TYR 43 1HB TYR 43 -10.508 -3.629 4.140 327 HD1 TYR 43 1HD TYR 43 -9.271 -5.847 1.406 328 HD2 TYR 43 2HD TYR 43 -11.600 -2.375 2.399 329 HE1 TYR 43 1HE TYR 43 -10.150 -5.790 -0.889 330 HE2 TYR 43 2HE TYR 43 -12.482 -2.311 0.097 331 HH TYR 43 HH TYR 43 -12.670 -3.469 -1.850 332 H GLY 44 H GLY 44 -7.513 -5.633 4.597 333 HA2 GLY 44 2HA GLY 44 -5.185 -6.001 3.052 334 HA3 GLY 44 1HA GLY 44 -5.957 -7.194 4.084 335 H GLU 45 H GLU 45 -4.860 -7.489 1.425 336 HA GLU 45 HA GLU 45 -6.231 -7.615 -0.771 337 HB2 GLU 45 2HB GLU 45 -4.538 -9.428 0.606 338 HB3 GLU 45 1HB GLU 45 -5.499 -10.275 -0.618 339 HG2 GLU 45 2HG GLU 45 -3.515 -9.522 -1.764 340 HG3 GLU 45 1HG GLU 45 -4.759 -8.371 -2.216 341 H LEU 46 H LEU 46 -7.851 -8.593 -1.753 342 HA LEU 46 HA LEU 46 -9.722 -10.266 -0.195 343 HB2 LEU 46 2HB LEU 46 -11.469 -9.610 -1.662 344 HB3 LEU 46 1HB LEU 46 -10.643 -8.122 -1.245 345 HG LEU 46 HG LEU 46 -10.251 -9.722 -3.819 346 HD11 LEU 46 1HD1 LEU 46 -11.276 -7.809 -4.911 347 HD12 LEU 46 2HD1 LEU 46 -11.507 -7.008 -3.358 348 HD13 LEU 46 3HD1 LEU 46 -12.359 -8.510 -3.719 349 HD21 LEU 46 3HD2 LEU 46 -9.030 -7.459 -4.401 350 HD22 LEU 46 1HD2 LEU 46 -8.148 -8.707 -3.541 351 HD23 LEU 46 2HD2 LEU 46 -8.815 -7.314 -2.669 352 H ILE 47 H ILE 47 -7.293 -10.288 -2.431 353 HA ILE 47 HA ILE 47 -8.179 -12.719 -3.840 354 HB ILE 47 HB ILE 47 -6.285 -12.270 -5.329 355 HG12 ILE 47 2HG1 ILE 47 -5.908 -9.698 -3.738 356 HG13 ILE 47 1HG1 ILE 47 -4.853 -11.096 -3.586 357 HG21 ILE 47 1HG2 ILE 47 -7.658 -10.987 -6.554 358 HG22 ILE 47 2HG2 ILE 47 -7.389 -9.604 -5.515 359 HG23 ILE 47 3HG2 ILE 47 -8.672 -10.761 -5.131 360 HD11 ILE 47 3HD1 ILE 47 -5.384 -9.687 -6.207 361 HD12 ILE 47 1HD1 ILE 47 -4.167 -10.920 -5.882 362 HD13 ILE 47 2HD1 ILE 47 -4.019 -9.325 -5.155 363 H THR 48 H THR 48 -6.581 -11.871 -1.083 364 HA THR 48 HA THR 48 -4.196 -13.312 -1.100 365 HB THR 48 HB THR 48 -5.216 -13.443 1.420 366 HG1 THR 48 1HG THR 48 -6.110 -11.047 1.373 367 HG21 THR 48 3HG2 THR 48 -3.980 -11.339 1.830 368 HG22 THR 48 1HG2 THR 48 -3.651 -11.196 0.092 369 HG23 THR 48 2HG2 THR 48 -3.044 -12.580 1.012 370 H ASN 49 H ASN 49 -7.172 -14.111 0.605 371 HA ASN 49 HA ASN 49 -6.478 -16.836 0.991 372 HB2 ASN 49 2HB ASN 49 -7.672 -15.673 2.530 373 HB3 ASN 49 1HB ASN 49 -9.113 -15.388 1.482 374 HD21 ASN 49 1HD2 ASN 49 -10.397 -17.432 1.071 375 HD22 ASN 49 2HD2 ASN 49 -10.228 -18.772 2.091 376 H ASP 50 H ASP 50 -7.001 -15.579 -1.784 377 HA ASP 50 HA ASP 50 -8.942 -17.145 -3.131 378 HB2 ASP 50 2HB ASP 50 -7.793 -15.227 -4.180 379 HB3 ASP 50 1HB ASP 50 -6.258 -16.078 -4.036 380 H LYS 51 H LYS 51 -5.596 -17.607 -2.164 381 HA LYS 51 HA LYS 51 -5.439 -20.249 -3.364 382 HB2 LYS 51 2HB LYS 51 -3.421 -19.018 -1.462 383 HB3 LYS 51 1HB LYS 51 -3.172 -20.301 -2.644 384 HG2 LYS 51 2HG LYS 51 -3.818 -17.397 -3.264 385 HG3 LYS 51 1HG LYS 51 -2.291 -18.229 -3.564 386 HD2 LYS 51 2HD LYS 51 -3.426 -19.762 -5.119 387 HD3 LYS 51 1HD LYS 51 -4.955 -18.932 -4.852 388 HE2 LYS 51 2HE LYS 51 -3.573 -16.785 -5.545 389 HE3 LYS 51 1HE LYS 51 -2.520 -17.963 -6.314 390 HZ1 LYS 51 3HZ LYS 51 -5.427 -17.602 -6.733 391 HZ2 LYS 51 1HZ LYS 51 -4.555 -18.864 -7.452 392 HZ3 LYS 51 2HZ LYS 51 -4.193 -17.254 -7.846 393 H TRP 52 H TRP 52 -4.283 -19.719 -0.067 394 HA TRP 52 HA TRP 52 -6.239 -21.753 0.774 395 HB2 TRP 52 2HB TRP 52 -3.456 -21.494 1.974 396 HB3 TRP 52 1HB TRP 52 -4.704 -22.627 2.402 397 HD1 TRP 52 HD TRP 52 -1.987 -22.123 -0.107 398 HE1 TRP 52 1HE TRP 52 -1.959 -24.098 -1.745 399 HE3 TRP 52 3HE TRP 52 -6.397 -24.369 1.141 400 HZ2 TRP 52 2HZ TRP 52 -3.586 -26.346 -2.441 401 HZ3 TRP 52 3HZ TRP 52 -7.132 -26.425 -0.021 402 HH2 TRP 52 HH TRP 52 -5.726 -27.417 -1.816 403 H THR 53 H THR 53 -4.105 -19.924 2.910 404 HA THR 53 HA THR 53 -6.518 -18.835 4.229 405 HB THR 53 HB THR 53 -5.286 -18.913 6.294 406 HG1 THR 53 1HG THR 53 -3.235 -18.636 5.777 407 HG21 THR 53 3HG2 THR 53 -4.976 -21.393 6.467 408 HG22 THR 53 1HG2 THR 53 -5.186 -21.503 4.725 409 HG23 THR 53 2HG2 THR 53 -6.505 -20.927 5.736 410 H ARG 54 H ARG 54 -4.391 -17.827 2.165 411 HA ARG 54 HA ARG 54 -2.755 -16.009 3.253 412 HB2 ARG 54 2HB ARG 54 -3.391 -16.662 0.608 413 HB3 ARG 54 1HB ARG 54 -3.695 -14.946 0.746 414 HG2 ARG 54 2HG ARG 54 -1.444 -15.097 0.140 415 HG3 ARG 54 1HG ARG 54 -1.432 -14.683 1.846 416 HD2 ARG 54 2HD ARG 54 -1.539 -17.567 1.322 417 HD3 ARG 54 1HD ARG 54 -0.089 -16.774 0.699 418 HE ARG 54 HE ARG 54 -0.159 -15.778 3.174 419 HH11 ARG 54 1HH2 ARG 54 -0.605 -19.037 1.994 420 HH12 ARG 54 2HH2 ARG 54 -0.100 -19.793 3.434 421 HH21 ARG 54 1HH1 ARG 54 0.535 -16.816 5.144 422 HH22 ARG 54 2HH1 ARG 54 0.563 -18.525 5.221 423 H ASN 55 H ASN 55 -6.041 -15.531 3.434 424 HA ASN 55 HA ASN 55 -6.338 -12.815 2.858 425 HB2 ASN 55 2HB ASN 55 -8.232 -12.739 4.305 426 HB3 ASN 55 1HB ASN 55 -8.298 -14.074 3.194 427 HD21 ASN 55 1HD2 ASN 55 -9.838 -15.103 4.936 428 HD22 ASN 55 2HD2 ASN 55 -9.136 -15.871 6.267 429 H ARG 56 H ARG 56 -3.962 -13.495 4.709 430 HA ARG 56 HA ARG 56 -3.977 -12.236 7.087 431 HB2 ARG 56 2HB ARG 56 -1.961 -11.797 4.878 432 HB3 ARG 56 1HB ARG 56 -1.689 -11.472 6.582 433 HG2 ARG 56 2HG ARG 56 -2.622 -14.125 6.567 434 HG3 ARG 56 1HG ARG 56 -1.592 -14.032 5.148 435 HD2 ARG 56 2HD ARG 56 -0.344 -14.671 7.204 436 HD3 ARG 56 1HD ARG 56 0.269 -13.198 6.452 437 HE ARG 56 HE ARG 56 -1.667 -12.487 8.359 438 HH11 ARG 56 1HH2 ARG 56 1.506 -13.912 8.177 439 HH12 ARG 56 2HH2 ARG 56 1.985 -13.405 9.737 440 HH21 ARG 56 1HH1 ARG 56 -1.032 -11.800 10.442 441 HH22 ARG 56 2HH1 ARG 56 0.523 -12.192 11.055 442 HA PRO 57 HA PRO 57 -5.823 -8.370 5.594 443 HB2 PRO 57 2HB PRO 57 -6.480 -7.410 8.052 444 HB3 PRO 57 1HB PRO 57 -7.479 -8.552 7.138 445 HG2 PRO 57 2HG PRO 57 -5.588 -9.087 9.375 446 HG3 PRO 57 1HG PRO 57 -7.168 -9.816 9.012 447 HD2 PRO 57 2HD PRO 57 -4.861 -11.103 8.445 448 HD3 PRO 57 1HD PRO 57 -6.296 -11.308 7.421 449 H ILE 58 H ILE 58 -5.420 -6.022 6.207 450 HA ILE 58 HA ILE 58 -2.988 -5.141 5.750 451 HB ILE 58 HB ILE 58 -4.867 -3.923 7.778 452 HG12 ILE 58 2HG1 ILE 58 -4.373 -3.081 4.942 453 HG13 ILE 58 1HG1 ILE 58 -5.584 -4.326 5.278 454 HG21 ILE 58 1HG2 ILE 58 -2.399 -3.058 7.837 455 HG22 ILE 58 2HG2 ILE 58 -3.679 -1.896 7.585 456 HG23 ILE 58 3HG2 ILE 58 -2.737 -2.456 6.211 457 HD11 ILE 58 3HD1 ILE 58 -5.528 -1.636 6.629 458 HD12 ILE 58 1HD1 ILE 58 -6.845 -2.807 6.609 459 HD13 ILE 58 2HD1 ILE 58 -6.426 -1.934 5.135 460 H VAL 59 H VAL 59 -1.357 -6.423 6.527 461 HA VAL 59 HA VAL 59 -0.378 -5.614 9.135 462 HB VAL 59 HB VAL 59 0.544 -7.912 9.522 463 HG11 VAL 59 1HG1 VAL 59 -2.467 -8.051 9.359 464 HG12 VAL 59 2HG1 VAL 59 -1.644 -7.013 10.527 465 HG13 VAL 59 3HG1 VAL 59 -1.398 -8.749 10.571 466 HG21 VAL 59 3HG2 VAL 59 -1.345 -9.453 8.042 467 HG22 VAL 59 1HG2 VAL 59 0.402 -9.444 7.839 468 HG23 VAL 59 2HG2 VAL 59 -0.618 -8.361 6.889 469 H SER 60 H SER 60 1.975 -5.831 9.192 470 HA SER 60 HA SER 60 3.143 -5.930 6.479 471 HB2 SER 60 2HB SER 60 4.784 -4.707 8.604 472 HB3 SER 60 1HB SER 60 4.528 -4.224 6.957 473 HG SER 60 HG SER 60 2.451 -3.382 7.584 474 H THR 61 H THR 61 4.135 -7.849 6.209 475 HA THR 61 HA THR 61 4.636 -9.541 8.411 476 HB THR 61 HB THR 61 5.706 -11.031 6.810 477 HG1 THR 61 1HG THR 61 6.657 -8.961 5.797 478 HG21 THR 61 3HG2 THR 61 3.141 -10.444 6.716 479 HG22 THR 61 1HG2 THR 61 3.855 -11.423 5.442 480 HG23 THR 61 2HG2 THR 61 3.545 -9.702 5.184 481 H LYS 62 H LYS 62 6.377 -9.713 9.700 482 HA LYS 62 HA LYS 62 8.475 -7.699 9.407 483 HB2 LYS 62 2HB LYS 62 8.095 -9.748 11.590 484 HB3 LYS 62 1HB LYS 62 9.117 -8.316 11.634 485 HG2 LYS 62 2HG LYS 62 6.087 -8.233 11.339 486 HG3 LYS 62 1HG LYS 62 6.932 -8.059 12.878 487 HD2 LYS 62 2HD LYS 62 8.230 -6.146 11.722 488 HD3 LYS 62 1HD LYS 62 6.946 -6.171 10.512 489 HE2 LYS 62 2HE LYS 62 6.611 -5.734 13.502 490 HE3 LYS 62 1HE LYS 62 6.370 -4.539 12.248 491 HZ1 LYS 62 3HZ LYS 62 4.515 -5.784 11.385 492 HZ2 LYS 62 1HZ LYS 62 4.283 -5.516 13.021 493 HZ3 LYS 62 2HZ LYS 62 4.755 -7.056 12.484 494 H LYS 63 H LYS 63 9.937 -8.412 7.856 495 HA LYS 63 HA LYS 63 11.121 -11.081 8.369 496 HB2 LYS 63 2HB LYS 63 11.129 -9.553 5.773 497 HB3 LYS 63 1HB LYS 63 11.795 -11.156 6.055 498 HG2 LYS 63 2HG LYS 63 9.202 -11.481 6.983 499 HG3 LYS 63 1HG LYS 63 8.963 -10.375 5.637 500 HD2 LYS 63 2HD LYS 63 10.463 -13.009 5.481 501 HD3 LYS 63 1HD LYS 63 8.804 -12.757 4.958 502 HE2 LYS 63 2HE LYS 63 9.538 -11.113 3.280 503 HE3 LYS 63 1HE LYS 63 11.205 -11.272 3.824 504 HZ1 LYS 63 3HZ LYS 63 11.455 -13.220 2.816 505 HZ2 LYS 63 1HZ LYS 63 10.219 -12.672 1.822 506 HZ3 LYS 63 2HZ LYS 63 9.883 -13.768 3.082 507 H LEU 64 H LEU 64 12.897 -10.917 9.452 508 HA LEU 64 HA LEU 64 14.642 -8.594 9.020 509 HB2 LEU 64 2HB LEU 64 13.993 -9.234 11.370 510 HB3 LEU 64 1HB LEU 64 14.781 -10.778 11.119 511 HG LEU 64 HG LEU 64 16.965 -9.763 10.970 512 HD11 LEU 64 1HD1 LEU 64 15.418 -7.156 10.849 513 HD12 LEU 64 2HD1 LEU 64 16.463 -7.806 9.572 514 HD13 LEU 64 3HD1 LEU 64 17.152 -7.249 11.098 515 HD21 LEU 64 3HD2 LEU 64 15.971 -9.892 13.269 516 HD22 LEU 64 1HD2 LEU 64 15.346 -8.257 13.020 517 HD23 LEU 64 2HD2 LEU 64 17.086 -8.527 13.089 518 H ASP 65 H ASP 65 15.560 -9.014 7.125 519 HA ASP 65 HA ASP 65 16.566 -11.636 6.551 520 HB2 ASP 65 2HB ASP 65 15.761 -9.348 4.994 521 HB3 ASP 65 1HB ASP 65 17.347 -9.855 4.473 522 H LYS 66 H LYS 66 18.614 -11.604 5.228 523 HA LYS 66 HA LYS 66 20.952 -11.452 6.623 524 HB2 LYS 66 2HB LYS 66 22.095 -11.186 4.442 525 HB3 LYS 66 1HB LYS 66 20.851 -12.423 4.370 526 HG2 LYS 66 2HG LYS 66 20.021 -9.602 3.625 527 HG3 LYS 66 1HG LYS 66 21.043 -10.484 2.527 528 HD2 LYS 66 2HD LYS 66 19.507 -12.230 2.245 529 HD3 LYS 66 1HD LYS 66 18.444 -11.751 3.546 530 HE2 LYS 66 2HE LYS 66 17.957 -9.644 2.336 531 HE3 LYS 66 1HE LYS 66 18.958 -10.170 0.990 532 HZ1 LYS 66 3HZ LYS 66 17.395 -12.268 1.141 533 HZ2 LYS 66 1HZ LYS 66 16.897 -10.865 0.354 534 HZ3 LYS 66 2HZ LYS 66 16.354 -11.173 1.932 535 H GLU 67 H GLU 67 19.137 -8.855 5.212 536 HA GLU 67 HA GLU 67 21.029 -6.817 5.065 537 HB2 GLU 67 2HB GLU 67 18.051 -6.760 5.564 538 HB3 GLU 67 1HB GLU 67 19.004 -5.317 5.268 539 HG2 GLU 67 2HG GLU 67 18.920 -7.691 3.393 540 HG3 GLU 67 1HG GLU 67 17.955 -6.265 3.148 541 H GLY 68 H GLY 68 19.251 -8.110 7.800 542 HA2 GLY 68 2HA GLY 68 19.754 -7.856 10.032 543 HA3 GLY 68 1HA GLY 68 20.977 -6.655 9.630 544 H ARG 69 H ARG 69 18.071 -6.153 8.016 545 HA ARG 69 HA ARG 69 17.052 -4.295 10.077 546 HB2 ARG 69 2HB ARG 69 16.619 -3.734 7.107 547 HB3 ARG 69 1HB ARG 69 16.544 -2.679 8.487 548 HG2 ARG 69 2HG ARG 69 19.128 -3.872 7.446 549 HG3 ARG 69 1HG ARG 69 18.540 -2.266 7.066 550 HD2 ARG 69 2HD ARG 69 18.502 -1.762 9.540 551 HD3 ARG 69 1HD ARG 69 19.317 -3.277 9.838 552 HE ARG 69 HE ARG 69 20.413 -0.860 8.667 553 HH11 ARG 69 1HH2 ARG 69 20.817 -4.309 9.065 554 HH12 ARG 69 2HH2 ARG 69 22.518 -4.255 8.904 555 HH21 ARG 69 1HH1 ARG 69 22.706 -0.827 8.436 556 HH22 ARG 69 2HH1 ARG 69 23.600 -2.277 8.556 557 H THR 70 H THR 70 14.901 -4.604 10.462 558 HA THR 70 HA THR 70 13.710 -6.978 9.361 559 HB THR 70 HB THR 70 12.023 -5.028 10.851 560 HG1 THR 70 1HG THR 70 12.929 -5.383 12.681 561 HG21 THR 70 3HG2 THR 70 11.437 -7.442 10.086 562 HG22 THR 70 1HG2 THR 70 10.995 -6.898 11.698 563 HG23 THR 70 2HG2 THR 70 12.397 -7.929 11.496 564 H HIS 71 H HIS 71 12.533 -7.150 7.600 565 HA HIS 71 HA HIS 71 11.845 -4.730 6.122 566 HB2 HIS 71 2HB HIS 71 12.922 -7.010 5.253 567 HB3 HIS 71 1HB HIS 71 11.226 -7.464 5.149 568 HD1 HIS 71 1HD HIS 71 13.833 -5.449 3.494 569 HD2 HIS 71 2HD HIS 71 9.674 -5.729 3.303 570 HE1 HIS 71 1HE HIS 71 13.129 -4.372 1.305 571 HE2 HIS 71 2HE HIS 71 10.610 -4.564 1.152 572 H HIS 72 H HIS 72 9.862 -3.938 6.085 573 HA HIS 72 HA HIS 72 7.626 -5.504 7.203 574 HB2 HIS 72 2HB HIS 72 8.136 -2.543 6.834 575 HB3 HIS 72 1HB HIS 72 6.502 -3.151 7.011 576 HD1 HIS 72 1HD HIS 72 6.175 -2.071 9.328 577 HD2 HIS 72 2HD HIS 72 9.439 -4.676 9.171 578 HE1 HIS 72 1HE HIS 72 6.950 -2.393 11.707 579 HE2 HIS 72 2HE HIS 72 8.928 -3.972 11.650 580 H TYR 73 H TYR 73 6.845 -6.683 5.467 581 HA TYR 73 HA TYR 73 6.398 -5.317 2.889 582 HB2 TYR 73 2HB TYR 73 5.949 -8.210 3.694 583 HB3 TYR 73 1HB TYR 73 5.645 -7.553 2.116 584 HD1 TYR 73 1HD TYR 73 8.299 -8.472 4.524 585 HD2 TYR 73 2HD TYR 73 7.454 -7.001 0.567 586 HE1 TYR 73 1HE TYR 73 10.642 -8.916 3.838 587 HE2 TYR 73 2HE TYR 73 9.789 -7.440 -0.090 588 HH TYR 73 HH TYR 73 12.121 -7.611 1.391 589 H MET 74 H MET 74 4.542 -4.154 2.924 590 HA MET 74 HA MET 74 2.175 -5.391 4.196 591 HB2 MET 74 2HB MET 74 3.117 -3.552 5.569 592 HB3 MET 74 1HB MET 74 2.927 -2.472 4.186 593 HG2 MET 74 2HG MET 74 0.496 -2.843 4.192 594 HG3 MET 74 1HG MET 74 0.652 -3.979 5.524 595 HE1 MET 74 3HE MET 74 2.662 -0.436 5.090 596 HE2 MET 74 1HE MET 74 1.233 0.533 5.462 597 HE3 MET 74 2HE MET 74 1.204 -0.596 4.125 598 H ARG 75 H ARG 75 0.506 -5.613 2.837 599 HA ARG 75 HA ARG 75 0.279 -3.710 0.603 600 HB2 ARG 75 2HB ARG 75 -0.566 -6.591 0.576 601 HB3 ARG 75 1HB ARG 75 -0.767 -5.439 -0.732 602 HG2 ARG 75 2HG ARG 75 1.775 -5.237 -0.745 603 HG3 ARG 75 1HG ARG 75 1.805 -6.662 0.307 604 HD2 ARG 75 2HD ARG 75 0.565 -6.474 -2.451 605 HD3 ARG 75 1HD ARG 75 1.959 -7.436 -1.956 606 HE ARG 75 HE ARG 75 -0.830 -7.887 -1.000 607 HH11 ARG 75 1HH2 ARG 75 2.280 -9.154 -1.969 608 HH12 ARG 75 2HH2 ARG 75 1.929 -10.758 -1.496 609 HH21 ARG 75 1HH1 ARG 75 -1.296 -9.931 -0.386 610 HH22 ARG 75 2HH1 ARG 75 -0.171 -11.230 -0.572 611 H PHE 76 H PHE 76 -1.839 -3.131 0.125 612 HA PHE 76 HA PHE 76 -3.956 -4.430 1.466 613 HB2 PHE 76 2HB PHE 76 -4.923 -2.419 2.579 614 HB3 PHE 76 1HB PHE 76 -3.429 -3.020 3.292 615 HD1 PHE 76 2HD PHE 76 -1.324 -1.802 3.063 616 HD2 PHE 76 1HD PHE 76 -4.970 -0.249 1.403 617 HE1 PHE 76 2HE PHE 76 -0.255 0.415 2.806 618 HE2 PHE 76 1HE PHE 76 -3.891 1.984 1.154 619 HZ PHE 76 HZ PHE 76 -1.544 2.310 1.853 620 H HIS 77 H HIS 77 -6.008 -3.949 0.744 621 HA HIS 77 HA HIS 77 -5.990 -2.840 -1.968 622 HB2 HIS 77 2HB HIS 77 -7.484 -5.021 -0.597 623 HB3 HIS 77 1HB HIS 77 -8.354 -4.081 -1.795 624 HD1 HIS 77 1HD HIS 77 -5.014 -6.040 -1.548 625 HD2 HIS 77 2HD HIS 77 -7.848 -4.805 -4.390 626 HE1 HIS 77 1HE HIS 77 -4.361 -7.083 -3.733 627 HE2 HIS 77 2HE HIS 77 -6.063 -6.352 -5.475 628 H VAL 78 H VAL 78 -7.344 -1.202 -2.495 629 HA VAL 78 HA VAL 78 -9.109 -0.281 -0.356 630 HB VAL 78 HB VAL 78 -8.483 1.974 -0.576 631 HG11 VAL 78 1HG1 VAL 78 -6.722 0.328 0.413 632 HG12 VAL 78 2HG1 VAL 78 -6.244 1.999 0.084 633 HG13 VAL 78 3HG1 VAL 78 -5.798 0.718 -1.039 634 HG21 VAL 78 3HG2 VAL 78 -8.435 2.257 -2.992 635 HG22 VAL 78 1HG2 VAL 78 -7.085 1.130 -3.138 636 HG23 VAL 78 2HG2 VAL 78 -6.855 2.715 -2.398 637 H GLU 79 H GLU 79 -10.867 0.928 -1.001 638 HA GLU 79 HA GLU 79 -11.626 0.480 -3.813 639 HB2 GLU 79 2HB GLU 79 -13.319 0.548 -1.344 640 HB3 GLU 79 1HB GLU 79 -14.003 0.636 -2.980 641 HG2 GLU 79 2HG GLU 79 -12.946 -1.449 -3.558 642 HG3 GLU 79 1HG GLU 79 -12.178 -1.614 -2.009 643 H SER 80 H SER 80 -11.736 2.130 -4.969 644 HA SER 80 HA SER 80 -11.572 4.777 -3.796 645 HB2 SER 80 2HB SER 80 -11.197 5.508 -6.008 646 HB3 SER 80 1HB SER 80 -10.144 4.136 -5.702 647 HG SER 80 HG SER 80 -11.793 2.858 -6.704 648 H LYS 81 H LYS 81 -12.907 6.326 -5.563 649 HA LYS 81 HA LYS 81 -15.610 6.041 -4.726 650 HB2 LYS 81 2HB LYS 81 -14.504 7.666 -7.020 651 HB3 LYS 81 1HB LYS 81 -16.041 7.898 -6.218 652 HG2 LYS 81 2HG LYS 81 -13.325 8.234 -4.893 653 HG3 LYS 81 1HG LYS 81 -14.387 9.536 -5.403 654 HD2 LYS 81 2HD LYS 81 -15.894 7.767 -3.713 655 HD3 LYS 81 1HD LYS 81 -14.368 8.128 -2.933 656 HE2 LYS 81 2HE LYS 81 -15.150 10.631 -3.939 657 HE3 LYS 81 1HE LYS 81 -16.644 9.876 -3.390 658 HZ1 LYS 81 3HZ LYS 81 -14.197 10.278 -1.734 659 HZ2 LYS 81 1HZ LYS 81 -15.686 9.519 -1.240 660 HZ3 LYS 81 2HZ LYS 81 -15.639 11.153 -1.776 661 H LYS 82 H LYS 82 -13.744 5.121 -7.564 662 HA LYS 82 HA LYS 82 -16.187 3.954 -8.812 663 HB2 LYS 82 2HB LYS 82 -13.693 4.853 -10.259 664 HB3 LYS 82 1HB LYS 82 -15.235 4.405 -10.959 665 HG2 LYS 82 2HG LYS 82 -14.856 6.800 -9.114 666 HG3 LYS 82 1HG LYS 82 -14.856 6.877 -10.870 667 HD2 LYS 82 2HD LYS 82 -17.185 6.014 -10.925 668 HD3 LYS 82 1HD LYS 82 -17.165 5.869 -9.171 669 HE2 LYS 82 2HE LYS 82 -18.276 7.957 -9.866 670 HE3 LYS 82 1HE LYS 82 -16.808 8.294 -8.942 671 HZ1 LYS 82 3HZ LYS 82 -15.969 9.399 -10.685 672 HZ2 LYS 82 1HZ LYS 82 -17.455 9.214 -11.454 673 HZ3 LYS 82 2HZ LYS 82 -16.222 8.089 -11.726 674 H LYS 83 H LYS 83 -12.759 3.424 -8.077 675 HA LYS 83 HA LYS 83 -12.950 0.661 -9.155 676 HB2 LYS 83 2HB LYS 83 -10.590 2.545 -9.089 677 HB3 LYS 83 1HB LYS 83 -10.550 0.868 -9.631 678 HG2 LYS 83 2HG LYS 83 -12.322 3.007 -10.876 679 HG3 LYS 83 1HG LYS 83 -10.763 2.505 -11.514 680 HD2 LYS 83 2HD LYS 83 -11.587 0.176 -11.713 681 HD3 LYS 83 1HD LYS 83 -13.158 0.681 -11.111 682 HE2 LYS 83 2HE LYS 83 -13.450 2.209 -13.018 683 HE3 LYS 83 1HE LYS 83 -11.855 1.790 -13.626 684 HZ1 LYS 83 3HZ LYS 83 -12.522 -0.411 -14.013 685 HZ2 LYS 83 1HZ LYS 83 -13.701 0.571 -14.692 686 HZ3 LYS 83 2HZ LYS 83 -14.020 -0.213 -13.223 687 H ILE 84 H ILE 84 -11.286 -0.807 -8.322 688 HA ILE 84 HA ILE 84 -10.932 -0.554 -5.391 689 HB ILE 84 HB ILE 84 -10.857 -3.042 -7.132 690 HG12 ILE 84 2HG1 ILE 84 -13.077 -2.294 -5.224 691 HG13 ILE 84 1HG1 ILE 84 -13.156 -1.792 -6.911 692 HG21 ILE 84 1HG2 ILE 84 -10.786 -2.529 -4.158 693 HG22 ILE 84 2HG2 ILE 84 -9.636 -3.448 -5.128 694 HG23 ILE 84 3HG2 ILE 84 -11.250 -4.089 -4.819 695 HD11 ILE 84 3HD1 ILE 84 -12.759 -4.646 -5.980 696 HD12 ILE 84 1HD1 ILE 84 -13.013 -4.085 -7.635 697 HD13 ILE 84 2HD1 ILE 84 -14.316 -3.953 -6.454 698 H ALA 85 H ALA 85 -8.798 -0.317 -4.777 699 HA ALA 85 HA ALA 85 -6.726 -0.886 -6.828 700 HB1 ALA 85 1HB ALA 85 -5.807 1.151 -6.616 701 HB2 ALA 85 2HB ALA 85 -6.068 1.218 -4.885 702 HB3 ALA 85 3HB ALA 85 -7.387 1.627 -5.996 703 H LEU 86 H LEU 86 -4.683 -1.472 -6.130 704 HA LEU 86 HA LEU 86 -4.598 -2.609 -3.414 705 HB2 LEU 86 2HB LEU 86 -4.541 -4.440 -4.814 706 HB3 LEU 86 1HB LEU 86 -3.566 -3.687 -6.038 707 HG LEU 86 HG LEU 86 -1.620 -3.682 -4.414 708 HD11 LEU 86 1HD1 LEU 86 -3.717 -4.407 -2.556 709 HD12 LEU 86 2HD1 LEU 86 -2.044 -3.977 -2.260 710 HD13 LEU 86 3HD1 LEU 86 -2.465 -5.651 -2.582 711 HD21 LEU 86 3HD2 LEU 86 -1.648 -6.376 -4.285 712 HD22 LEU 86 1HD2 LEU 86 -1.378 -5.500 -5.791 713 HD23 LEU 86 2HD2 LEU 86 -2.976 -6.143 -5.421 714 H VAL 87 H VAL 87 -3.081 -1.913 -2.071 715 HA VAL 87 HA VAL 87 -0.920 -0.229 -3.192 716 HB VAL 87 HB VAL 87 -2.229 -0.062 -0.475 717 HG11 VAL 87 1HG1 VAL 87 -1.032 2.180 -0.468 718 HG12 VAL 87 2HG1 VAL 87 -0.116 1.605 -1.864 719 HG13 VAL 87 3HG1 VAL 87 0.002 0.766 -0.322 720 HG21 VAL 87 3HG2 VAL 87 -2.758 1.376 -3.075 721 HG22 VAL 87 1HG2 VAL 87 -2.996 2.239 -1.553 722 HG23 VAL 87 2HG2 VAL 87 -3.895 0.770 -1.874 723 H HIS 88 H HIS 88 1.099 -0.919 -2.795 724 HA HIS 88 HA HIS 88 1.504 -2.885 -0.634 725 HB2 HIS 88 2HB HIS 88 1.624 -4.182 -2.623 726 HB3 HIS 88 1HB HIS 88 2.578 -2.950 -3.449 727 HD1 HIS 88 1HD HIS 88 4.537 -4.622 -3.893 728 HD2 HIS 88 2HD HIS 88 3.709 -4.078 0.174 729 HE1 HIS 88 1HE HIS 88 6.467 -5.639 -2.607 730 HE2 HIS 88 2HE HIS 88 6.006 -5.294 -0.151 731 H LEU 89 H LEU 89 2.881 -2.263 0.829 732 HA LEU 89 HA LEU 89 4.931 -0.284 0.093 733 HB2 LEU 89 2HB LEU 89 3.109 0.718 1.425 734 HB3 LEU 89 1HB LEU 89 3.440 -0.432 2.715 735 HG LEU 89 HG LEU 89 5.765 1.153 1.675 736 HD11 LEU 89 1HD1 LEU 89 4.387 2.512 3.867 737 HD12 LEU 89 2HD1 LEU 89 3.508 2.592 2.330 738 HD13 LEU 89 3HD1 LEU 89 5.166 3.156 2.434 739 HD21 LEU 89 3HD2 LEU 89 6.713 0.460 3.597 740 HD22 LEU 89 1HD2 LEU 89 5.347 -0.634 3.796 741 HD23 LEU 89 2HD2 LEU 89 5.336 0.953 4.567 742 H GLU 90 H GLU 90 6.939 -0.701 0.678 743 HA GLU 90 HA GLU 90 7.377 -2.851 2.614 744 HB2 GLU 90 2HB GLU 90 9.035 -2.166 0.207 745 HB3 GLU 90 1HB GLU 90 9.660 -3.102 1.555 746 HG2 GLU 90 2HG GLU 90 7.887 -4.740 1.303 747 HG3 GLU 90 1HG GLU 90 7.171 -3.827 -0.015 748 H ALA 91 H ALA 91 8.127 -2.174 4.410 749 HA ALA 91 HA ALA 91 9.844 0.214 4.459 750 HB1 ALA 91 1HB ALA 91 8.376 1.178 5.882 751 HB2 ALA 91 2HB ALA 91 8.716 -0.104 7.031 752 HB3 ALA 91 3HB ALA 91 7.376 -0.272 5.909 753 H LYS 92 H LYS 92 11.318 0.162 6.418 754 HA LYS 92 HA LYS 92 11.805 -2.615 7.208 755 HB2 LYS 92 2HB LYS 92 14.198 -2.409 7.086 756 HB3 LYS 92 1HB LYS 92 13.494 -2.081 5.505 757 HG2 LYS 92 2HG LYS 92 13.824 0.288 5.754 758 HG3 LYS 92 1HG LYS 92 14.244 0.163 7.456 759 HD2 LYS 92 2HD LYS 92 16.294 -1.016 6.938 760 HD3 LYS 92 1HD LYS 92 15.860 -1.111 5.236 761 HE2 LYS 92 2HE LYS 92 17.459 0.690 5.589 762 HE3 LYS 92 1HE LYS 92 15.891 1.329 5.087 763 HZ1 LYS 92 3HZ LYS 92 15.995 1.329 8.006 764 HZ2 LYS 92 1HZ LYS 92 15.971 2.634 6.935 765 HZ3 LYS 92 2HZ LYS 92 17.390 1.943 7.370 766 H GLU 93 H GLU 93 12.554 -2.942 9.250 767 HA GLU 93 HA GLU 93 12.524 -0.666 11.133 768 HB2 GLU 93 2HB GLU 93 13.101 -3.608 11.573 769 HB3 GLU 93 1HB GLU 93 12.924 -2.405 12.822 770 HG2 GLU 93 2HG GLU 93 10.575 -2.021 12.249 771 HG3 GLU 93 1HG GLU 93 10.716 -3.115 10.883 772 H SER 94 H SER 94 14.404 0.457 10.868 773 HA SER 94 HA SER 94 16.682 -0.663 9.718 774 HB2 SER 94 2HB SER 94 16.543 1.878 11.342 775 HB3 SER 94 1HB SER 94 17.756 1.435 10.148 776 HG SER 94 HG SER 94 15.678 2.766 9.642 777 H LYS 95 H LYS 95 17.109 0.946 12.827 778 HA LYS 95 HA LYS 95 17.984 -1.547 14.022 779 HB2 LYS 95 2HB LYS 95 19.914 -0.006 12.783 780 HB3 LYS 95 1HB LYS 95 19.991 0.575 14.431 781 HG2 LYS 95 2HG LYS 95 21.464 -1.255 14.425 782 HG3 LYS 95 1HG LYS 95 19.995 -1.910 15.142 783 HD2 LYS 95 2HD LYS 95 19.791 -2.169 12.277 784 HD3 LYS 95 1HD LYS 95 21.359 -2.776 12.776 785 HE2 LYS 95 2HE LYS 95 19.923 -3.966 14.687 786 HE3 LYS 95 1HE LYS 95 18.640 -3.798 13.491 787 HZ1 LYS 95 3HZ LYS 95 19.745 -5.134 12.001 788 HZ2 LYS 95 1HZ LYS 95 20.074 -5.877 13.468 789 HZ3 LYS 95 2HZ LYS 95 21.273 -4.933 12.741 790 H GLN 96 H GLN 96 18.466 1.893 14.712 791 HA GLN 96 HA GLN 96 17.069 1.469 17.288 792 HB2 GLN 96 2HB GLN 96 19.124 3.582 16.673 793 HB3 GLN 96 1HB GLN 96 18.424 3.187 18.239 794 HG2 GLN 96 2HG GLN 96 20.013 1.637 18.582 795 HG3 GLN 96 1HG GLN 96 19.472 0.732 17.180 796 HE21 GLN 96 1HE2 GLN 96 21.310 0.303 15.959 797 HE22 GLN 96 2HE2 GLN 96 22.487 1.458 15.560 798 H ASN 97 H ASN 97 16.595 2.716 14.339 799 HA ASN 97 HA ASN 97 15.513 5.276 14.944 800 HB2 ASN 97 2HB ASN 97 16.150 4.391 12.613 801 HB3 ASN 97 1HB ASN 97 14.557 3.634 12.613 802 HD21 ASN 97 1HD2 ASN 97 13.419 5.014 11.150 803 HD22 ASN 97 2HD2 ASN 97 13.248 6.674 11.404 804 H TYR 98 H TYR 98 13.537 5.918 15.495 805 HA TYR 98 HA TYR 98 11.863 4.227 16.978 806 HB2 TYR 98 2HB TYR 98 10.815 6.757 15.736 807 HB3 TYR 98 1HB TYR 98 10.507 6.081 17.321 808 HD1 TYR 98 2HD TYR 98 12.106 6.345 19.179 809 HD2 TYR 98 1HD TYR 98 12.937 7.960 15.280 810 HE1 TYR 98 2HE TYR 98 13.954 7.690 20.116 811 HE2 TYR 98 1HE TYR 98 14.762 9.277 16.203 812 HH TYR 98 HH TYR 98 16.174 8.684 19.060 813 H GLN 99 H GLN 99 11.531 5.524 13.693 814 HA GLN 99 HA GLN 99 9.249 3.716 13.206 815 HB2 GLN 99 2HB GLN 99 10.040 6.240 11.739 816 HB3 GLN 99 1HB GLN 99 8.623 5.261 11.404 817 HG2 GLN 99 2HG GLN 99 8.767 6.022 14.245 818 HG3 GLN 99 1HG GLN 99 8.733 7.410 13.174 819 HE21 GLN 99 1HE2 GLN 99 7.040 4.228 13.463 820 HE22 GLN 99 2HE2 GLN 99 5.533 4.865 13.073 821 HA PRO 100 HA PRO 100 11.871 1.624 10.289 822 HB2 PRO 100 2HB PRO 100 10.068 0.437 8.709 823 HB3 PRO 100 1HB PRO 100 10.311 -0.077 10.391 824 HG2 PRO 100 2HG PRO 100 8.195 1.680 9.254 825 HG3 PRO 100 1HG PRO 100 8.051 0.349 10.428 826 HD2 PRO 100 2HD PRO 100 8.093 2.966 11.196 827 HD3 PRO 100 1HD PRO 100 8.732 1.652 12.219 828 H ASP 101 H ASP 101 12.623 1.950 8.163 829 HA ASP 101 HA ASP 101 11.797 4.414 6.805 830 HB2 ASP 101 2HB ASP 101 13.879 2.338 6.106 831 HB3 ASP 101 1HB ASP 101 13.525 3.760 5.136 832 H PHE 102 H PHE 102 10.804 4.557 4.796 833 HA PHE 102 HA PHE 102 9.295 2.190 3.967 834 HB2 PHE 102 2HB PHE 102 9.299 5.012 2.869 835 HB3 PHE 102 1HB PHE 102 8.190 3.729 2.432 836 HD1 PHE 102 1HD PHE 102 6.627 2.804 4.094 837 HD2 PHE 102 2HD PHE 102 9.002 6.256 4.931 838 HE1 PHE 102 1HE PHE 102 5.116 3.373 5.974 839 HE2 PHE 102 2HE PHE 102 7.521 6.841 6.811 840 HZ PHE 102 HZ PHE 102 5.567 5.411 7.350 841 H ILE 103 H ILE 103 10.724 0.858 2.928 842 HA ILE 103 HA ILE 103 12.777 1.824 1.208 843 HB ILE 103 HB ILE 103 11.610 -0.956 1.497 844 HG12 ILE 103 2HG1 ILE 103 14.291 0.198 2.396 845 HG13 ILE 103 1HG1 ILE 103 12.883 0.055 3.438 846 HG21 ILE 103 1HG2 ILE 103 13.974 0.059 -0.134 847 HG22 ILE 103 2HG2 ILE 103 12.562 -0.818 -0.728 848 HG23 ILE 103 3HG2 ILE 103 13.738 -1.641 0.269 849 HD11 ILE 103 3HD1 ILE 103 14.042 -2.347 1.985 850 HD12 ILE 103 1HD1 ILE 103 12.852 -2.319 3.283 851 HD13 ILE 103 2HD1 ILE 103 14.520 -1.868 3.604 852 H ASN 104 H ASN 104 9.561 0.465 0.626 853 HA ASN 104 HA ASN 104 9.496 1.767 -2.020 854 HB2 ASN 104 2HB ASN 104 10.376 -0.539 -2.352 855 HB3 ASN 104 1HB ASN 104 8.889 -1.165 -1.662 856 HD21 ASN 104 1HD2 ASN 104 9.308 -1.953 -4.180 857 HD22 ASN 104 2HD2 ASN 104 8.325 -1.140 -5.303 858 H MET 105 H MET 105 7.363 2.042 -2.766 859 HA MET 105 HA MET 105 5.163 0.832 -1.620 860 HB2 MET 105 2HB MET 105 4.434 2.103 0.061 861 HB3 MET 105 1HB MET 105 5.977 2.933 0.034 862 HG2 MET 105 2HG MET 105 4.294 4.630 -0.083 863 HG3 MET 105 1HG MET 105 4.936 4.521 -1.707 864 HE1 MET 105 3HE MET 105 2.236 2.125 0.248 865 HE2 MET 105 1HE MET 105 0.893 3.232 -0.050 866 HE3 MET 105 2HE MET 105 2.314 3.792 0.809 867 H TYR 106 H TYR 106 3.663 0.706 -3.088 868 HA TYR 106 HA TYR 106 3.284 2.895 -4.976 869 HB2 TYR 106 2HB TYR 106 3.424 1.357 -6.914 870 HB3 TYR 106 1HB TYR 106 4.955 1.560 -6.071 871 HD1 TYR 106 2HD TYR 106 5.912 -0.224 -4.701 872 HD2 TYR 106 1HD TYR 106 2.217 -0.773 -6.826 873 HE1 TYR 106 2HE TYR 106 6.085 -2.658 -4.374 874 HE2 TYR 106 1HE TYR 106 2.388 -3.203 -6.500 875 HH TYR 106 HH TYR 106 3.829 -4.874 -5.922 876 H VAL 107 H VAL 107 1.424 2.565 -6.384 877 HA VAL 107 HA VAL 107 -0.688 1.083 -4.940 878 HB VAL 107 HB VAL 107 -0.767 3.755 -6.353 879 HG11 VAL 107 1HG1 VAL 107 -2.781 2.625 -7.017 880 HG12 VAL 107 2HG1 VAL 107 -3.206 3.753 -5.735 881 HG13 VAL 107 3HG1 VAL 107 -3.058 2.031 -5.377 882 HG21 VAL 107 3HG2 VAL 107 -1.670 4.465 -4.117 883 HG22 VAL 107 1HG2 VAL 107 -0.012 3.865 -4.029 884 HG23 VAL 107 2HG2 VAL 107 -1.345 2.841 -3.518 885 H ASP 108 H ASP 108 -1.734 -0.385 -6.045 886 HA ASP 108 HA ASP 108 -1.262 -0.650 -8.932 887 HB2 ASP 108 2HB ASP 108 -0.819 -2.564 -7.203 888 HB3 ASP 108 1HB ASP 108 -2.560 -2.618 -7.135 889 H VAL 109 H VAL 109 -2.809 0.374 -10.062 890 HA VAL 109 HA VAL 109 -5.580 0.169 -9.113 891 HB VAL 109 HB VAL 109 -4.532 2.163 -11.135 892 HG11 VAL 109 1HG1 VAL 109 -6.936 1.932 -11.206 893 HG12 VAL 109 2HG1 VAL 109 -6.582 3.407 -10.318 894 HG13 VAL 109 3HG1 VAL 109 -7.055 1.954 -9.445 895 HG21 VAL 109 3HG2 VAL 109 -3.314 2.819 -9.249 896 HG22 VAL 109 1HG2 VAL 109 -4.526 2.205 -8.121 897 HG23 VAL 109 2HG2 VAL 109 -4.821 3.702 -8.997 898 HA PRO 110 HA PRO 110 -5.923 -2.658 -12.607 899 HB2 PRO 110 2HB PRO 110 -8.599 -2.983 -12.559 900 HB3 PRO 110 1HB PRO 110 -7.544 -3.756 -11.357 901 HG2 PRO 110 2HG PRO 110 -9.191 -1.282 -11.100 902 HG3 PRO 110 1HG PRO 110 -8.969 -2.596 -9.942 903 HD2 PRO 110 2HD PRO 110 -7.633 -0.275 -9.699 904 HD3 PRO 110 1HD PRO 110 -6.932 -1.824 -9.187 905 H GLY 111 H GLY 111 -6.241 -2.209 -14.743 906 HA2 GLY 111 2HA GLY 111 -6.978 -1.184 -16.676 907 HA3 GLY 111 1HA GLY 111 -8.205 -0.369 -15.720 908 H GLU 112 H GLU 112 -5.599 0.398 -13.994 909 HA GLU 112 HA GLU 112 -4.875 2.650 -15.698 910 HB2 GLU 112 2HB GLU 112 -5.725 2.738 -12.845 911 HB3 GLU 112 1HB GLU 112 -4.564 3.926 -13.424 912 HG2 GLU 112 2HG GLU 112 -7.292 3.375 -14.633 913 HG3 GLU 112 1HG GLU 112 -6.849 4.771 -13.655 914 H LYS 113 H LYS 113 -3.031 3.897 -14.769 915 HA LYS 113 HA LYS 113 -0.798 2.220 -15.257 916 HB2 LYS 113 2HB LYS 113 -0.562 5.017 -14.209 917 HB3 LYS 113 1HB LYS 113 0.469 4.141 -15.332 918 HG2 LYS 113 2HG LYS 113 -2.261 5.332 -15.834 919 HG3 LYS 113 1HG LYS 113 -0.752 5.629 -16.685 920 HD2 LYS 113 2HD LYS 113 -0.714 3.331 -17.473 921 HD3 LYS 113 1HD LYS 113 -2.273 2.976 -16.776 922 HE2 LYS 113 2HE LYS 113 -1.611 5.022 -18.822 923 HE3 LYS 113 1HE LYS 113 -2.578 3.581 -19.110 924 HZ1 LYS 113 3HZ LYS 113 -3.905 4.920 -16.976 925 HZ2 LYS 113 1HZ LYS 113 -4.376 4.860 -18.593 926 HZ3 LYS 113 2HZ LYS 113 -3.439 6.109 -18.070 927 H ARG 114 H ARG 114 0.858 1.818 -14.064 928 HA ARG 114 HA ARG 114 0.462 1.272 -11.268 929 HB2 ARG 114 2HB ARG 114 2.871 0.677 -11.293 930 HB3 ARG 114 1HB ARG 114 1.895 -0.230 -12.441 931 HG2 ARG 114 2HG ARG 114 2.583 1.709 -14.165 932 HG3 ARG 114 1HG ARG 114 3.882 1.972 -13.013 933 HD2 ARG 114 2HD ARG 114 3.231 -0.694 -14.225 934 HD3 ARG 114 1HD ARG 114 4.383 0.445 -14.892 935 HE ARG 114 HE ARG 114 4.641 -1.143 -12.428 936 HH11 ARG 114 1HH2 ARG 114 5.914 1.401 -14.434 937 HH12 ARG 114 2HH2 ARG 114 7.484 1.362 -13.760 938 HH21 ARG 114 1HH1 ARG 114 6.699 -1.191 -11.472 939 HH22 ARG 114 2HH1 ARG 114 7.955 -0.178 -12.029 940 H TYR 115 H TYR 115 1.057 2.494 -9.535 941 HA TYR 115 HA TYR 115 2.504 5.026 -10.076 942 HB2 TYR 115 2HB TYR 115 0.047 5.329 -9.744 943 HB3 TYR 115 1HB TYR 115 0.207 4.622 -8.146 944 HD1 TYR 115 2HD TYR 115 1.472 5.799 -6.361 945 HD2 TYR 115 1HD TYR 115 0.892 7.537 -10.236 946 HE1 TYR 115 2HE TYR 115 2.145 7.998 -5.477 947 HE2 TYR 115 1HE TYR 115 1.571 9.737 -9.365 948 HH TYR 115 HH TYR 115 1.609 10.892 -7.124 949 H TYR 116 H TYR 116 4.386 5.016 -8.993 950 HA TYR 116 HA TYR 116 4.564 3.462 -6.482 951 HB2 TYR 116 2HB TYR 116 6.733 4.461 -8.347 952 HB3 TYR 116 1HB TYR 116 7.022 3.675 -6.796 953 HD1 TYR 116 1HD TYR 116 5.093 3.146 -9.980 954 HD2 TYR 116 2HD TYR 116 7.293 1.326 -6.755 955 HE1 TYR 116 1HE TYR 116 4.889 0.971 -11.075 956 HE2 TYR 116 2HE TYR 116 7.078 -0.875 -7.869 957 HH TYR 116 HH TYR 116 5.170 -1.817 -9.713 958 H LEU 117 H LEU 117 3.825 4.817 -4.973 959 HA LEU 117 HA LEU 117 4.393 7.588 -4.870 960 HB2 LEU 117 2HB LEU 117 2.463 6.645 -3.700 961 HB3 LEU 117 1HB LEU 117 3.522 5.709 -2.657 962 HG LEU 117 HG LEU 117 4.501 7.794 -1.748 963 HD11 LEU 117 1HD1 LEU 117 3.181 9.015 -4.049 964 HD12 LEU 117 2HD1 LEU 117 4.389 9.657 -2.952 965 HD13 LEU 117 3HD1 LEU 117 2.693 9.775 -2.534 966 HD21 LEU 117 3HD2 LEU 117 1.733 6.951 -1.458 967 HD22 LEU 117 1HD2 LEU 117 1.911 8.688 -1.176 968 HD23 LEU 117 2HD2 LEU 117 2.879 7.516 -0.259 969 H ILE 118 H ILE 118 5.901 4.757 -3.395 970 HA ILE 118 HA ILE 118 8.253 6.445 -2.809 971 HB ILE 118 HB ILE 118 7.235 4.094 -1.185 972 HG12 ILE 118 2HG1 ILE 118 7.529 7.022 -0.382 973 HG13 ILE 118 1HG1 ILE 118 6.002 6.295 -0.868 974 HG21 ILE 118 1HG2 ILE 118 9.803 5.623 -1.201 975 HG22 ILE 118 2HG2 ILE 118 9.528 3.918 -0.885 976 HG23 ILE 118 3HG2 ILE 118 9.159 5.118 0.358 977 HD11 ILE 118 3HD1 ILE 118 7.628 5.846 1.583 978 HD12 ILE 118 1HD1 ILE 118 6.620 4.517 1.015 979 HD13 ILE 118 2HD1 ILE 118 5.892 6.069 1.428 980 H LYS 119 H LYS 119 9.947 5.822 -3.967 981 HA LYS 119 HA LYS 119 9.791 3.328 -5.461 982 HB2 LYS 119 2HB LYS 119 12.160 5.174 -5.593 983 HB3 LYS 119 1HB LYS 119 11.491 4.155 -6.855 984 HG2 LYS 119 2HG LYS 119 10.162 6.673 -5.745 985 HG3 LYS 119 1HG LYS 119 11.030 6.529 -7.269 986 HD2 LYS 119 2HD LYS 119 9.331 4.536 -7.724 987 HD3 LYS 119 1HD LYS 119 8.350 5.385 -6.539 988 HE2 LYS 119 2HE LYS 119 9.066 6.190 -9.306 989 HE3 LYS 119 1HE LYS 119 7.615 6.508 -8.382 990 HZ1 LYS 119 3HZ LYS 119 10.053 8.101 -8.550 991 HZ2 LYS 119 1HZ LYS 119 9.363 7.978 -7.001 992 HZ3 LYS 119 2HZ LYS 119 8.446 8.543 -8.275 993 HA PRO 120 HA PRO 120 12.576 1.145 -2.758 994 HB2 PRO 120 2HB PRO 120 13.419 -0.731 -4.566 995 HB3 PRO 120 1HB PRO 120 11.966 -0.872 -3.583 996 HG2 PRO 120 2HG PRO 120 12.202 -0.206 -6.433 997 HG3 PRO 120 1HG PRO 120 10.848 -0.908 -5.534 998 HD2 PRO 120 2HD PRO 120 10.928 1.688 -6.446 999 HD3 PRO 120 1HD PRO 120 9.891 1.139 -5.122 1000 H LYS 121 H LYS 121 14.863 -0.069 -3.332 1001 HA LYS 121 HA LYS 121 16.669 2.076 -3.362 1002 HB2 LYS 121 2HB LYS 121 17.388 -0.796 -3.991 1003 HB3 LYS 121 1HB LYS 121 18.412 0.440 -3.277 1004 HG2 LYS 121 2HG LYS 121 16.091 -1.016 -2.060 1005 HG3 LYS 121 1HG LYS 121 17.751 -0.885 -1.451 1006 HD2 LYS 121 2HD LYS 121 17.138 1.716 -1.371 1007 HD3 LYS 121 1HD LYS 121 15.505 1.131 -1.306 1008 HE2 LYS 121 2HE LYS 121 17.673 0.837 0.713 1009 HE3 LYS 121 1HE LYS 121 15.961 1.164 0.951 1010 HZ1 LYS 121 3HZ LYS 121 15.655 -1.022 1.333 1011 HZ2 LYS 121 1HZ LYS 121 17.290 -1.233 1.180 1012 HZ3 LYS 121 2HZ LYS 121 16.346 -1.478 -0.169 1013 H LEU 122 H LEU 122 15.749 -0.221 -5.868 1014 HA LEU 122 HA LEU 122 16.178 -0.305 -8.109 1015 HB2 LEU 122 2HB LEU 122 15.893 2.690 -7.758 1016 HB3 LEU 122 1HB LEU 122 15.760 1.831 -9.295 1017 HG LEU 122 HG LEU 122 13.976 1.385 -6.875 1018 HD11 LEU 122 1HD1 LEU 122 13.567 2.925 -9.445 1019 HD12 LEU 122 2HD1 LEU 122 13.456 3.528 -7.790 1020 HD13 LEU 122 3HD1 LEU 122 12.236 2.411 -8.408 1021 HD21 LEU 122 3HD2 LEU 122 13.840 0.330 -9.729 1022 HD22 LEU 122 1HD2 LEU 122 12.597 0.088 -8.512 1023 HD23 LEU 122 2HD2 LEU 122 14.183 -0.644 -8.296 1024 H HIS 123 H HIS 123 17.566 2.742 -8.546 1025 HA HIS 123 HA HIS 123 20.099 1.608 -9.297 1026 HB2 HIS 123 2HB HIS 123 18.787 4.271 -9.473 1027 HB3 HIS 123 1HB HIS 123 20.538 4.289 -9.373 1028 HD1 HIS 123 1HD HIS 123 19.849 5.264 -11.996 1029 HD2 HIS 123 2HD HIS 123 19.765 1.127 -11.299 1030 HE1 HIS 123 1HE HIS 123 19.977 4.133 -14.239 1031 HE2 HIS 123 2HE HIS 123 19.971 1.647 -13.847 1032 HA PRO 124 HA PRO 124 22.123 1.998 -5.424 1033 HB2 PRO 124 2HB PRO 124 24.677 2.412 -6.136 1034 HB3 PRO 124 1HB PRO 124 23.864 0.866 -6.409 1035 HG2 PRO 124 2HG PRO 124 24.461 3.026 -8.350 1036 HG3 PRO 124 1HG PRO 124 24.488 1.263 -8.558 1037 HD2 PRO 124 2HD PRO 124 22.401 2.869 -9.428 1038 HD3 PRO 124 1HD PRO 124 22.267 1.133 -9.058 1039 H VAL 125 H VAL 125 20.744 4.295 -6.022 1040 HA VAL 125 HA VAL 125 20.600 6.550 -5.668 1041 HB VAL 125 HB VAL 125 23.078 6.433 -3.974 1042 HG11 VAL 125 1HG1 VAL 125 21.509 8.480 -4.315 1043 HG12 VAL 125 2HG1 VAL 125 21.955 8.039 -2.664 1044 HG13 VAL 125 3HG1 VAL 125 20.385 7.583 -3.300 1045 HG21 VAL 125 3HG2 VAL 125 22.108 4.394 -3.252 1046 HG22 VAL 125 1HG2 VAL 125 20.466 4.977 -3.520 1047 HG23 VAL 125 2HG2 VAL 125 21.390 5.571 -2.149 1048 H SER 126 H SER 126 22.646 5.359 -7.661 1049 HA SER 126 HA SER 126 23.437 7.851 -8.740 1050 HB2 SER 126 2HB SER 126 25.576 6.004 -7.674 1051 HB3 SER 126 1HB SER 126 25.888 7.296 -8.814 1052 HG SER 126 HG SER 126 24.371 8.027 -6.600 1053 H ASN 127 H ASN 127 24.203 7.586 -10.924 1054 HA ASN 127 HA ASN 127 24.482 5.003 -12.102 1055 HB2 ASN 127 2HB ASN 127 22.373 5.242 -13.544 1056 HB3 ASN 127 1HB ASN 127 22.147 4.746 -11.872 1057 HD21 ASN 127 1HD2 ASN 127 22.946 8.055 -12.658 1058 HD22 ASN 127 2HD2 ASN 127 21.435 8.741 -12.296 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -1.162 0.898 24.935 2 HA2 GLY 1 2HA GLY 1 -2.133 2.197 22.667 3 HA3 GLY 1 1HA GLY 1 -0.374 2.316 22.647 4 H ALA 2 H ALA 2 -1.596 0.924 20.666 5 HA ALA 2 HA ALA 2 -1.958 -1.838 21.125 6 HB1 ALA 2 1HB ALA 2 -2.092 -0.128 18.870 7 HB2 ALA 2 2HB ALA 2 -2.552 -1.824 18.970 8 HB3 ALA 2 3HB ALA 2 -0.922 -1.387 18.476 9 H MET 3 H MET 3 0.844 0.095 20.874 10 HA MET 3 HA MET 3 3.072 -0.309 21.034 11 HB2 MET 3 2HB MET 3 2.153 -3.043 21.990 12 HB3 MET 3 1HB MET 3 3.827 -2.523 21.958 13 HG2 MET 3 2HG MET 3 1.606 -1.104 23.461 14 HG3 MET 3 1HG MET 3 2.818 -2.154 24.171 15 HE1 MET 3 3HE MET 3 3.062 2.172 23.862 16 HE2 MET 3 1HE MET 3 1.751 1.017 24.145 17 HE3 MET 3 2HE MET 3 2.199 1.461 22.512 18 H GLY 4 H GLY 4 1.430 -3.086 19.580 19 HA2 GLY 4 2HA GLY 4 3.541 -3.344 17.544 20 HA3 GLY 4 1HA GLY 4 2.168 -4.419 17.772 21 H SER 5 H SER 5 1.878 -0.934 17.711 22 HA SER 5 HA SER 5 -0.249 -0.975 15.856 23 HB2 SER 5 2HB SER 5 1.326 1.502 16.472 24 HB3 SER 5 1HB SER 5 -0.393 1.297 16.210 25 HG SER 5 HG SER 5 -0.438 1.257 18.318 26 H GLY 6 H GLY 6 2.979 -1.355 15.248 27 HA2 GLY 6 2HA GLY 6 3.690 0.399 13.293 28 HA3 GLY 6 1HA GLY 6 4.241 -1.264 13.317 29 H ASP 7 H ASP 7 1.813 -2.621 12.763 30 HA ASP 7 HA ASP 7 1.679 -2.340 9.931 31 HB2 ASP 7 2HB ASP 7 -0.266 -3.834 10.058 32 HB3 ASP 7 1HB ASP 7 1.098 -4.495 10.935 33 H THR 8 H THR 8 -0.438 -1.420 12.506 34 HA THR 8 HA THR 8 -2.454 -0.170 10.967 35 HB THR 8 HB THR 8 -1.619 0.548 13.783 36 HG1 THR 8 1HG THR 8 -1.859 -1.697 13.574 37 HG21 THR 8 3HG2 THR 8 -3.277 2.038 13.248 38 HG22 THR 8 1HG2 THR 8 -4.257 0.703 13.835 39 HG23 THR 8 2HG2 THR 8 -4.075 0.956 12.100 40 H GLN 9 H GLN 9 0.415 1.069 12.604 41 HA GLN 9 HA GLN 9 0.120 3.773 11.848 42 HB2 GLN 9 2HB GLN 9 2.270 2.078 12.999 43 HB3 GLN 9 1HB GLN 9 2.794 3.517 12.142 44 HG2 GLN 9 2HG GLN 9 0.529 3.759 14.085 45 HG3 GLN 9 1HG GLN 9 2.160 3.669 14.715 46 HE21 GLN 9 1HE2 GLN 9 0.050 5.575 12.566 47 HE22 GLN 9 2HE2 GLN 9 1.007 6.965 12.585 48 H LEU 10 H LEU 10 2.018 1.110 10.443 49 HA LEU 10 HA LEU 10 2.985 2.623 8.266 50 HB2 LEU 10 2HB LEU 10 2.737 -0.317 8.835 51 HB3 LEU 10 1HB LEU 10 3.045 0.196 7.195 52 HG LEU 10 HG LEU 10 5.114 -0.282 8.570 53 HD11 LEU 10 1HD1 LEU 10 6.070 0.929 6.978 54 HD12 LEU 10 2HD1 LEU 10 5.739 2.411 7.866 55 HD13 LEU 10 3HD1 LEU 10 4.563 1.796 6.711 56 HD21 LEU 10 3HD2 LEU 10 5.287 2.360 9.771 57 HD22 LEU 10 1HD2 LEU 10 5.487 0.795 10.523 58 HD23 LEU 10 2HD2 LEU 10 3.906 1.521 10.450 59 H PHE 11 H PHE 11 0.111 0.596 8.702 60 HA PHE 11 HA PHE 11 -0.875 0.825 6.074 61 HB2 PHE 11 2HB PHE 11 -1.824 -0.802 7.508 62 HB3 PHE 11 1HB PHE 11 -2.249 0.396 8.717 63 HD1 PHE 11 1HD PHE 11 -2.959 -0.541 5.124 64 HD2 PHE 11 2HD PHE 11 -4.338 1.473 8.676 65 HE1 PHE 11 1HE PHE 11 -5.132 -0.140 4.059 66 HE2 PHE 11 2HE PHE 11 -6.526 1.859 7.593 67 HZ PHE 11 HZ PHE 11 -6.932 1.068 5.302 68 H ASN 12 H ASN 12 -1.582 2.763 8.960 69 HA ASN 12 HA ASN 12 -3.366 4.550 7.682 70 HB2 ASN 12 2HB ASN 12 -1.614 4.829 10.108 71 HB3 ASN 12 1HB ASN 12 -2.654 6.128 9.543 72 HD21 ASN 12 1HD2 ASN 12 -2.622 3.720 11.694 73 HD22 ASN 12 2HD2 ASN 12 -4.290 3.352 11.789 74 H ARG 13 H ARG 13 0.090 4.727 8.324 75 HA ARG 13 HA ARG 13 0.519 7.260 7.129 76 HB2 ARG 13 2HB ARG 13 2.326 4.893 7.653 77 HB3 ARG 13 1HB ARG 13 2.883 6.468 7.093 78 HG2 ARG 13 2HG ARG 13 2.042 7.586 9.052 79 HG3 ARG 13 1HG ARG 13 1.244 6.138 9.639 80 HD2 ARG 13 2HD ARG 13 3.289 5.002 9.860 81 HD3 ARG 13 1HD ARG 13 4.276 6.358 9.274 82 HE ARG 13 HE ARG 13 3.088 5.903 11.880 83 HH11 ARG 13 1HH2 ARG 13 4.294 8.370 9.704 84 HH12 ARG 13 2HH2 ARG 13 4.645 9.477 10.943 85 HH21 ARG 13 1HH1 ARG 13 3.536 7.337 13.504 86 HH22 ARG 13 2HH1 ARG 13 4.212 8.889 13.193 87 H ALA 14 H ALA 14 0.822 3.919 5.964 88 HA ALA 14 HA ALA 14 1.672 4.557 3.336 89 HB1 ALA 14 1HB ALA 14 0.956 2.215 2.794 90 HB2 ALA 14 2HB ALA 14 0.229 2.115 4.381 91 HB3 ALA 14 3HB ALA 14 1.973 2.307 4.231 92 H VAL 15 H VAL 15 -1.562 3.674 4.609 93 HA VAL 15 HA VAL 15 -2.793 4.021 2.142 94 HB VAL 15 HB VAL 15 -3.687 2.679 4.048 95 HG11 VAL 15 1HG1 VAL 15 -4.343 3.520 5.987 96 HG12 VAL 15 2HG1 VAL 15 -5.146 4.898 5.249 97 HG13 VAL 15 3HG1 VAL 15 -3.402 4.943 5.552 98 HG21 VAL 15 3HG2 VAL 15 -6.052 4.275 3.597 99 HG22 VAL 15 1HG2 VAL 15 -5.622 2.711 2.928 100 HG23 VAL 15 2HG2 VAL 15 -5.118 4.178 2.102 101 H SER 16 H SER 16 -2.115 6.282 4.794 102 HA SER 16 HA SER 16 -3.833 8.345 3.995 103 HB2 SER 16 2HB SER 16 -2.716 8.330 6.199 104 HB3 SER 16 1HB SER 16 -1.154 8.483 5.407 105 HG SER 16 HG SER 16 -1.724 10.494 5.935 106 H MET 17 H MET 17 -0.455 7.617 3.152 107 HA MET 17 HA MET 17 -0.136 9.935 1.566 108 HB2 MET 17 2HB MET 17 1.341 7.292 1.343 109 HB3 MET 17 1HB MET 17 1.796 8.821 0.578 110 HG2 MET 17 2HG MET 17 1.789 9.860 2.930 111 HG3 MET 17 1HG MET 17 1.623 8.269 3.529 112 HE1 MET 17 3HE MET 17 4.747 6.332 2.942 113 HE2 MET 17 1HE MET 17 3.305 6.244 1.920 114 HE3 MET 17 2HE MET 17 3.150 6.451 3.660 115 H VAL 18 H VAL 18 -1.164 6.654 0.697 116 HA VAL 18 HA VAL 18 -1.452 7.357 -2.061 117 HB VAL 18 HB VAL 18 -2.590 5.228 -2.347 118 HG11 VAL 18 1HG1 VAL 18 -0.074 5.295 -2.148 119 HG12 VAL 18 2HG1 VAL 18 -0.739 3.768 -1.552 120 HG13 VAL 18 3HG1 VAL 18 -0.264 5.030 -0.417 121 HG21 VAL 18 3HG2 VAL 18 -2.880 3.741 -0.337 122 HG22 VAL 18 1HG2 VAL 18 -3.916 5.183 -0.264 123 HG23 VAL 18 2HG2 VAL 18 -2.402 5.121 0.646 124 H GLU 19 H GLU 19 -3.679 7.277 0.687 125 HA GLU 19 HA GLU 19 -5.990 7.877 -0.806 126 HB2 GLU 19 2HB GLU 19 -5.298 8.413 2.097 127 HB3 GLU 19 1HB GLU 19 -6.864 8.774 1.377 128 HG2 GLU 19 2HG GLU 19 -7.121 6.370 0.747 129 HG3 GLU 19 1HG GLU 19 -5.575 6.041 1.442 130 H LYS 20 H LYS 20 -3.459 9.901 0.598 131 HA LYS 20 HA LYS 20 -4.929 12.297 -0.230 132 HB2 LYS 20 2HB LYS 20 -2.343 12.096 1.313 133 HB3 LYS 20 1HB LYS 20 -3.325 13.545 1.092 134 HG2 LYS 20 2HG LYS 20 -4.228 11.010 2.514 135 HG3 LYS 20 1HG LYS 20 -3.760 12.499 3.307 136 HD2 LYS 20 2HD LYS 20 -5.755 13.433 2.979 137 HD3 LYS 20 1HD LYS 20 -5.846 13.002 1.282 138 HE2 LYS 20 2HE LYS 20 -6.700 10.832 1.768 139 HE3 LYS 20 1HE LYS 20 -6.254 10.947 3.468 140 HZ1 LYS 20 3HZ LYS 20 -8.690 11.315 2.832 141 HZ2 LYS 20 1HZ LYS 20 -8.196 12.818 2.248 142 HZ3 LYS 20 2HZ LYS 20 -7.979 12.435 3.877 143 H ASN 21 H ASN 21 -2.605 10.296 -1.599 144 HA ASN 21 HA ASN 21 -1.042 12.295 -2.885 145 HB2 ASN 21 2HB ASN 21 -0.186 9.993 -2.735 146 HB3 ASN 21 1HB ASN 21 -1.525 9.438 -3.722 147 HD21 ASN 21 1HD2 ASN 21 1.540 11.118 -3.852 148 HD22 ASN 21 2HD2 ASN 21 1.619 11.198 -5.546 149 H LYS 22 H LYS 22 -1.595 13.598 -4.454 150 HA LYS 22 HA LYS 22 -4.148 13.745 -5.548 151 HB2 LYS 22 2HB LYS 22 -3.376 15.487 -6.934 152 HB3 LYS 22 1HB LYS 22 -2.446 15.632 -5.456 153 HG2 LYS 22 2HG LYS 22 -1.395 14.202 -7.968 154 HG3 LYS 22 1HG LYS 22 -1.132 15.876 -7.613 155 HD2 LYS 22 2HD LYS 22 -0.263 13.662 -5.706 156 HD3 LYS 22 1HD LYS 22 0.748 14.422 -6.893 157 HE2 LYS 22 2HE LYS 22 -0.519 16.561 -5.436 158 HE3 LYS 22 1HE LYS 22 0.130 15.417 -4.281 159 HZ1 LYS 22 3HZ LYS 22 1.959 16.634 -4.655 160 HZ2 LYS 22 1HZ LYS 22 1.527 17.063 -6.213 161 HZ3 LYS 22 2HZ LYS 22 2.197 15.540 -5.926 162 H ASP 23 H ASP 23 -1.214 12.328 -6.960 163 HA ASP 23 HA ASP 23 -2.331 11.673 -9.449 164 HB2 ASP 23 2HB ASP 23 -0.022 10.772 -7.836 165 HB3 ASP 23 1HB ASP 23 -0.494 9.760 -9.160 166 H ILE 24 H ILE 24 -1.874 9.788 -6.499 167 HA ILE 24 HA ILE 24 -3.191 7.490 -7.490 168 HB ILE 24 HB ILE 24 -2.681 8.349 -4.630 169 HG12 ILE 24 2HG1 ILE 24 -1.330 6.232 -6.340 170 HG13 ILE 24 1HG1 ILE 24 -0.711 7.873 -6.215 171 HG21 ILE 24 1HG2 ILE 24 -4.356 6.789 -4.345 172 HG22 ILE 24 2HG2 ILE 24 -2.947 5.741 -4.401 173 HG23 ILE 24 3HG2 ILE 24 -3.963 5.923 -5.833 174 HD11 ILE 24 3HD1 ILE 24 -1.248 6.153 -3.806 175 HD12 ILE 24 1HD1 ILE 24 -0.307 7.647 -3.869 176 HD13 ILE 24 2HD1 ILE 24 0.318 6.177 -4.622 177 H ARG 25 H ARG 25 -4.313 10.232 -5.551 178 HA ARG 25 HA ARG 25 -6.942 9.363 -5.178 179 HB2 ARG 25 2HB ARG 25 -5.733 12.075 -5.457 180 HB3 ARG 25 1HB ARG 25 -7.464 11.923 -5.279 181 HG2 ARG 25 2HG ARG 25 -7.047 10.566 -3.171 182 HG3 ARG 25 1HG ARG 25 -5.331 10.872 -3.330 183 HD2 ARG 25 2HD ARG 25 -7.445 13.039 -3.089 184 HD3 ARG 25 1HD ARG 25 -6.510 12.419 -1.744 185 HE ARG 25 HE ARG 25 -4.724 13.235 -3.745 186 HH11 ARG 25 1HH2 ARG 25 -7.082 14.516 -1.510 187 HH12 ARG 25 2HH2 ARG 25 -6.365 16.059 -1.395 188 HH21 ARG 25 1HH1 ARG 25 -3.734 15.397 -3.577 189 HH22 ARG 25 2HH1 ARG 25 -4.482 16.549 -2.575 190 H SER 26 H SER 26 -5.448 11.062 -7.843 191 HA SER 26 HA SER 26 -7.763 11.352 -9.441 192 HB2 SER 26 2HB SER 26 -4.903 10.958 -10.189 193 HB3 SER 26 1HB SER 26 -6.134 11.585 -11.302 194 HG SER 26 HG SER 26 -4.931 12.671 -8.970 195 H LEU 27 H LEU 27 -5.334 8.773 -9.115 196 HA LEU 27 HA LEU 27 -6.451 6.971 -11.034 197 HB2 LEU 27 2HB LEU 27 -4.755 6.411 -8.578 198 HB3 LEU 27 1HB LEU 27 -5.172 5.243 -9.821 199 HG LEU 27 HG LEU 27 -3.683 7.822 -10.363 200 HD11 LEU 27 1HD1 LEU 27 -2.520 5.051 -10.466 201 HD12 LEU 27 2HD1 LEU 27 -2.459 6.031 -8.998 202 HD13 LEU 27 3HD1 LEU 27 -1.698 6.605 -10.479 203 HD21 LEU 27 3HD2 LEU 27 -3.190 6.588 -12.528 204 HD22 LEU 27 1HD2 LEU 27 -4.846 7.142 -12.352 205 HD23 LEU 27 2HD2 LEU 27 -4.451 5.441 -12.080 206 H LEU 28 H LEU 28 -6.924 7.507 -7.605 207 HA LEU 28 HA LEU 28 -8.790 5.347 -7.260 208 HB2 LEU 28 2HB LEU 28 -8.136 7.761 -5.569 209 HB3 LEU 28 1HB LEU 28 -9.200 6.495 -5.016 210 HG LEU 28 HG LEU 28 -6.279 6.115 -5.811 211 HD11 LEU 28 1HD1 LEU 28 -7.662 6.265 -3.128 212 HD12 LEU 28 2HD1 LEU 28 -6.383 7.316 -3.735 213 HD13 LEU 28 3HD1 LEU 28 -6.033 5.636 -3.350 214 HD21 LEU 28 3HD2 LEU 28 -8.357 4.203 -4.673 215 HD22 LEU 28 1HD2 LEU 28 -6.632 3.872 -4.733 216 HD23 LEU 28 2HD2 LEU 28 -7.537 4.058 -6.227 217 H GLN 29 H GLN 29 -8.960 8.183 -8.906 218 HA GLN 29 HA GLN 29 -10.647 9.548 -9.647 219 HB2 GLN 29 2HB GLN 29 -12.401 7.197 -8.817 220 HB3 GLN 29 1HB GLN 29 -12.880 8.544 -9.839 221 HG2 GLN 29 2HG GLN 29 -10.582 6.690 -10.527 222 HG3 GLN 29 1HG GLN 29 -12.218 6.501 -11.129 223 HE21 GLN 29 1HE2 GLN 29 -9.263 7.873 -11.945 224 HE22 GLN 29 2HE2 GLN 29 -9.835 9.046 -13.028 225 H CYS 30 H CYS 30 -9.674 9.547 -6.906 226 HA CYS 30 HA CYS 30 -11.798 10.035 -5.068 227 HB2 CYS 30 2HB CYS 30 -8.850 10.519 -5.091 228 HB3 CYS 30 1HB CYS 30 -9.825 11.313 -3.865 229 HG CYS 30 HG CYS 30 -9.012 8.857 -3.102 230 H ASP 31 H ASP 31 -12.919 11.251 -6.763 231 HA ASP 31 HA ASP 31 -12.184 14.112 -6.809 232 HB2 ASP 31 2HB ASP 31 -13.898 12.438 -8.653 233 HB3 ASP 31 1HB ASP 31 -13.743 14.184 -8.780 234 H ASP 32 H ASP 32 -13.141 13.661 -4.490 235 HA ASP 32 HA ASP 32 -15.800 13.207 -3.994 236 HB2 ASP 32 2HB ASP 32 -13.951 15.176 -2.614 237 HB3 ASP 32 1HB ASP 32 -15.537 14.814 -2.016 238 H GLY 33 H GLY 33 -17.669 14.238 -4.415 239 HA2 GLY 33 2HA GLY 33 -18.999 16.239 -4.618 240 HA3 GLY 33 1HA GLY 33 -17.604 17.069 -5.277 241 H ILE 34 H ILE 34 -17.097 14.421 -6.896 242 HA ILE 34 HA ILE 34 -18.322 15.320 -9.296 243 HB ILE 34 HB ILE 34 -16.310 14.076 -9.475 244 HG12 ILE 34 2HG1 ILE 34 -18.428 12.155 -10.403 245 HG13 ILE 34 1HG1 ILE 34 -18.243 13.694 -11.207 246 HG21 ILE 34 1HG2 ILE 34 -15.806 12.321 -8.194 247 HG22 ILE 34 2HG2 ILE 34 -17.110 11.395 -8.823 248 HG23 ILE 34 3HG2 ILE 34 -17.362 12.409 -7.389 249 HD11 ILE 34 3HD1 ILE 34 -15.693 12.352 -10.810 250 HD12 ILE 34 1HD1 ILE 34 -16.452 12.942 -12.299 251 HD13 ILE 34 2HD1 ILE 34 -16.868 11.337 -11.657 252 H THR 35 H THR 35 -19.177 12.737 -7.076 253 HA THR 35 HA THR 35 -21.864 12.767 -8.217 254 HB THR 35 HB THR 35 -21.952 10.526 -8.602 255 HG1 THR 35 1HG THR 35 -21.259 10.132 -6.323 256 HG21 THR 35 3HG2 THR 35 -19.828 9.655 -9.508 257 HG22 THR 35 1HG2 THR 35 -19.005 11.019 -8.760 258 HG23 THR 35 2HG2 THR 35 -20.207 11.295 -10.036 259 H GLY 36 H GLY 36 -20.939 14.206 -6.100 260 HA2 GLY 36 2HA GLY 36 -21.562 14.601 -3.861 261 HA3 GLY 36 1HA GLY 36 -22.073 12.896 -3.781 262 H LYS 37 H LYS 37 -20.659 12.789 -1.844 263 HA LYS 37 HA LYS 37 -17.858 12.347 -2.689 264 HB2 LYS 37 2HB LYS 37 -18.948 13.130 0.014 265 HB3 LYS 37 1HB LYS 37 -17.296 12.657 -0.339 266 HG2 LYS 37 2HG LYS 37 -17.027 14.938 -0.608 267 HG3 LYS 37 1HG LYS 37 -17.468 14.495 -2.255 268 HD2 LYS 37 2HD LYS 37 -18.785 16.407 -1.651 269 HD3 LYS 37 1HD LYS 37 -19.871 15.037 -1.670 270 HE2 LYS 37 2HE LYS 37 -20.444 15.986 0.339 271 HE3 LYS 37 1HE LYS 37 -19.229 14.873 0.923 272 HZ1 LYS 37 3HZ LYS 37 -19.015 17.794 0.531 273 HZ2 LYS 37 1HZ LYS 37 -17.612 16.877 0.454 274 HZ3 LYS 37 2HZ LYS 37 -18.548 16.870 1.853 275 H GLU 38 H GLU 38 -17.397 10.277 -2.796 276 HA GLU 38 HA GLU 38 -18.984 8.346 -1.307 277 HB2 GLU 38 2HB GLU 38 -17.564 8.225 -3.766 278 HB3 GLU 38 1HB GLU 38 -16.838 7.032 -2.680 279 HG2 GLU 38 2HG GLU 38 -19.821 7.293 -3.067 280 HG3 GLU 38 1HG GLU 38 -18.832 6.267 -4.104 281 H ARG 39 H ARG 39 -18.047 6.847 0.058 282 HA ARG 39 HA ARG 39 -15.819 7.996 1.617 283 HB2 ARG 39 2HB ARG 39 -17.410 5.515 2.273 284 HB3 ARG 39 1HB ARG 39 -16.413 6.458 3.361 285 HG2 ARG 39 2HG ARG 39 -19.007 7.401 2.068 286 HG3 ARG 39 1HG ARG 39 -18.783 6.929 3.738 287 HD2 ARG 39 2HD ARG 39 -17.107 8.776 4.014 288 HD3 ARG 39 1HD ARG 39 -17.474 9.335 2.397 289 HE ARG 39 HE ARG 39 -19.135 9.592 4.767 290 HH11 ARG 39 1HH2 ARG 39 -19.049 9.573 1.291 291 HH12 ARG 39 2HH2 ARG 39 -20.403 10.543 1.062 292 HH21 ARG 39 1HH1 ARG 39 -20.970 10.909 4.533 293 HH22 ARG 39 2HH1 ARG 39 -21.565 11.336 2.991 294 H LEU 40 H LEU 40 -13.843 7.182 1.555 295 HA LEU 40 HA LEU 40 -13.157 5.078 -0.317 296 HB2 LEU 40 2HB LEU 40 -11.407 6.453 1.740 297 HB3 LEU 40 1HB LEU 40 -10.882 5.482 0.377 298 HG LEU 40 HG LEU 40 -12.340 7.192 -1.037 299 HD11 LEU 40 1HD1 LEU 40 -11.942 8.543 1.601 300 HD12 LEU 40 2HD1 LEU 40 -13.279 8.688 0.457 301 HD13 LEU 40 3HD1 LEU 40 -11.772 9.510 0.150 302 HD21 LEU 40 3HD2 LEU 40 -10.203 8.743 -1.005 303 HD22 LEU 40 1HD2 LEU 40 -10.080 7.099 -1.611 304 HD23 LEU 40 2HD2 LEU 40 -9.526 7.475 0.021 305 H LYS 41 H LYS 41 -12.297 3.072 0.180 306 HA LYS 41 HA LYS 41 -12.384 2.260 2.985 307 HB2 LYS 41 2HB LYS 41 -13.846 0.944 0.728 308 HB3 LYS 41 1HB LYS 41 -13.238 -0.046 2.048 309 HG2 LYS 41 2HG LYS 41 -14.839 2.456 2.626 310 HG3 LYS 41 1HG LYS 41 -15.643 0.964 2.230 311 HD2 LYS 41 2HD LYS 41 -15.520 0.599 4.484 312 HD3 LYS 41 1HD LYS 41 -13.961 -0.068 4.066 313 HE2 LYS 41 2HE LYS 41 -14.075 1.658 6.009 314 HE3 LYS 41 1HE LYS 41 -12.782 1.843 4.842 315 HZ1 LYS 41 3HZ LYS 41 -13.823 3.716 3.892 316 HZ2 LYS 41 1HZ LYS 41 -14.225 3.823 5.514 317 HZ3 LYS 41 2HZ LYS 41 -15.368 3.251 4.452 318 H ALA 42 H ALA 42 -10.825 0.856 3.617 319 HA ALA 42 HA ALA 42 -9.034 -0.168 1.553 320 HB1 ALA 42 1HB ALA 42 -7.099 0.528 3.116 321 HB2 ALA 42 2HB ALA 42 -8.255 1.676 3.803 322 HB3 ALA 42 3HB ALA 42 -7.828 1.765 2.097 323 H TYR 43 H TYR 43 -8.201 -2.133 1.978 324 HA TYR 43 HA TYR 43 -8.138 -3.224 4.620 325 HB2 TYR 43 2HB TYR 43 -9.737 -5.134 3.963 326 HB3 TYR 43 1HB TYR 43 -10.430 -3.603 4.459 327 HD1 TYR 43 1HD TYR 43 -9.031 -4.962 1.179 328 HD2 TYR 43 2HD TYR 43 -12.291 -2.984 3.201 329 HE1 TYR 43 1HE TYR 43 -10.215 -4.773 -0.918 330 HE2 TYR 43 2HE TYR 43 -13.483 -2.802 1.057 331 HH TYR 43 HH TYR 43 -13.361 -3.105 -1.152 332 H GLY 44 H GLY 44 -7.620 -5.653 4.511 333 HA2 GLY 44 2HA GLY 44 -5.376 -6.152 2.828 334 HA3 GLY 44 1HA GLY 44 -6.250 -7.283 3.823 335 H GLU 45 H GLU 45 -5.454 -7.801 1.126 336 HA GLU 45 HA GLU 45 -6.938 -7.714 -1.024 337 HB2 GLU 45 2HB GLU 45 -6.379 -10.242 0.469 338 HB3 GLU 45 1HB GLU 45 -6.755 -10.204 -1.273 339 HG2 GLU 45 2HG GLU 45 -4.366 -8.862 0.087 340 HG3 GLU 45 1HG GLU 45 -4.308 -10.317 -0.889 341 H LEU 46 H LEU 46 -9.104 -7.515 -1.414 342 HA LEU 46 HA LEU 46 -10.976 -7.555 0.602 343 HB2 LEU 46 2HB LEU 46 -12.700 -7.607 -1.400 344 HB3 LEU 46 1HB LEU 46 -11.730 -6.209 -1.077 345 HG LEU 46 HG LEU 46 -10.473 -8.260 -2.872 346 HD11 LEU 46 1HD1 LEU 46 -11.731 -7.009 -4.783 347 HD12 LEU 46 2HD1 LEU 46 -12.957 -6.737 -3.553 348 HD13 LEU 46 3HD1 LEU 46 -12.487 -8.385 -3.989 349 HD21 LEU 46 3HD2 LEU 46 -9.777 -6.198 -4.061 350 HD22 LEU 46 1HD2 LEU 46 -9.286 -6.152 -2.374 351 HD23 LEU 46 2HD2 LEU 46 -10.690 -5.224 -2.918 352 H ILE 47 H ILE 47 -12.231 -9.376 -2.060 353 HA ILE 47 HA ILE 47 -13.556 -11.142 -0.281 354 HB ILE 47 HB ILE 47 -13.360 -11.520 -3.281 355 HG12 ILE 47 2HG1 ILE 47 -14.000 -9.152 -2.795 356 HG13 ILE 47 1HG1 ILE 47 -15.366 -10.068 -3.409 357 HG21 ILE 47 1HG2 ILE 47 -15.944 -11.975 -2.088 358 HG22 ILE 47 2HG2 ILE 47 -14.763 -12.884 -1.181 359 HG23 ILE 47 3HG2 ILE 47 -14.915 -13.118 -2.924 360 HD11 ILE 47 3HD1 ILE 47 -14.876 -9.087 -0.622 361 HD12 ILE 47 1HD1 ILE 47 -15.863 -10.531 -0.859 362 HD13 ILE 47 2HD1 ILE 47 -16.338 -9.013 -1.596 363 H THR 48 H THR 48 -10.510 -11.179 -1.275 364 HA THR 48 HA THR 48 -9.295 -13.157 -2.138 365 HB THR 48 HB THR 48 -8.868 -12.835 0.809 366 HG1 THR 48 1HG THR 48 -8.928 -10.757 0.461 367 HG21 THR 48 3HG2 THR 48 -7.078 -13.070 -1.626 368 HG22 THR 48 1HG2 THR 48 -7.233 -14.192 -0.257 369 HG23 THR 48 2HG2 THR 48 -6.548 -12.590 -0.011 370 H ASN 49 H ASN 49 -10.168 -13.988 1.235 371 HA ASN 49 HA ASN 49 -10.926 -16.671 0.251 372 HB2 ASN 49 2HB ASN 49 -9.019 -17.140 1.471 373 HB3 ASN 49 1HB ASN 49 -9.318 -15.916 2.690 374 HD21 ASN 49 1HD2 ASN 49 -10.671 -19.025 1.463 375 HD22 ASN 49 2HD2 ASN 49 -11.236 -19.521 2.973 376 H ASP 50 H ASP 50 -11.436 -15.784 3.602 377 HA ASP 50 HA ASP 50 -14.308 -16.144 3.076 378 HB2 ASP 50 2HB ASP 50 -12.988 -17.661 4.675 379 HB3 ASP 50 1HB ASP 50 -13.038 -16.328 5.808 380 H LYS 51 H LYS 51 -12.937 -14.578 5.926 381 HA LYS 51 HA LYS 51 -14.488 -12.193 5.203 382 HB2 LYS 51 2HB LYS 51 -14.495 -11.839 7.825 383 HB3 LYS 51 1HB LYS 51 -15.700 -12.820 7.014 384 HG2 LYS 51 2HG LYS 51 -14.428 -14.868 7.525 385 HG3 LYS 51 1HG LYS 51 -13.187 -13.928 8.352 386 HD2 LYS 51 2HD LYS 51 -14.886 -13.112 9.976 387 HD3 LYS 51 1HD LYS 51 -16.122 -14.012 9.122 388 HE2 LYS 51 2HE LYS 51 -15.376 -15.267 11.085 389 HE3 LYS 51 1HE LYS 51 -14.983 -16.130 9.608 390 HZ1 LYS 51 3HZ LYS 51 -12.775 -15.863 9.938 391 HZ2 LYS 51 1HZ LYS 51 -13.210 -15.660 11.538 392 HZ3 LYS 51 2HZ LYS 51 -12.912 -14.305 10.602 393 H TRP 52 H TRP 52 -12.267 -12.414 7.940 394 HA TRP 52 HA TRP 52 -11.076 -9.939 6.962 395 HB2 TRP 52 2HB TRP 52 -10.539 -11.234 9.636 396 HB3 TRP 52 1HB TRP 52 -10.327 -9.557 9.164 397 HD1 TRP 52 HD TRP 52 -12.708 -11.702 10.870 398 HE1 TRP 52 1HE TRP 52 -15.019 -10.589 11.042 399 HE3 TRP 52 3HE TRP 52 -12.103 -7.913 7.507 400 HZ2 TRP 52 2HZ TRP 52 -16.428 -8.383 9.903 401 HZ3 TRP 52 3HZ TRP 52 -13.948 -6.320 7.063 402 HH2 TRP 52 HH TRP 52 -16.118 -6.558 8.265 403 H THR 53 H THR 53 -9.524 -12.611 8.750 404 HA THR 53 HA THR 53 -6.990 -11.935 7.783 405 HB THR 53 HB THR 53 -6.890 -14.609 8.685 406 HG1 THR 53 1HG THR 53 -8.645 -14.748 9.802 407 HG21 THR 53 3HG2 THR 53 -6.404 -11.921 9.998 408 HG22 THR 53 1HG2 THR 53 -5.223 -12.965 9.219 409 HG23 THR 53 2HG2 THR 53 -5.954 -13.455 10.734 410 H ARG 54 H ARG 54 -9.355 -13.205 6.014 411 HA ARG 54 HA ARG 54 -9.107 -15.250 4.622 412 HB2 ARG 54 2HB ARG 54 -8.920 -13.948 2.411 413 HB3 ARG 54 1HB ARG 54 -10.320 -13.650 3.456 414 HG2 ARG 54 2HG ARG 54 -8.244 -11.836 4.283 415 HG3 ARG 54 1HG ARG 54 -8.301 -11.766 2.529 416 HD2 ARG 54 2HD ARG 54 -10.926 -11.541 2.866 417 HD3 ARG 54 1HD ARG 54 -10.429 -11.188 4.519 418 HE ARG 54 HE ARG 54 -9.102 -9.580 2.485 419 HH11 ARG 54 1HH2 ARG 54 -11.853 -9.852 4.643 420 HH12 ARG 54 2HH2 ARG 54 -12.140 -8.165 4.658 421 HH21 ARG 54 1HH1 ARG 54 -9.513 -7.353 2.513 422 HH22 ARG 54 2HH1 ARG 54 -10.828 -6.749 3.450 423 H ASN 55 H ASN 55 -6.793 -13.020 3.140 424 HA ASN 55 HA ASN 55 -4.820 -15.239 3.143 425 HB2 ASN 55 2HB ASN 55 -5.660 -14.704 0.857 426 HB3 ASN 55 1HB ASN 55 -5.047 -13.065 1.061 427 HD21 ASN 55 1HD2 ASN 55 -3.970 -16.476 1.097 428 HD22 ASN 55 2HD2 ASN 55 -2.383 -16.118 0.613 429 H ARG 56 H ARG 56 -4.108 -11.986 2.047 430 HA ARG 56 HA ARG 56 -2.397 -11.683 4.404 431 HB2 ARG 56 2HB ARG 56 -1.107 -10.071 3.080 432 HB3 ARG 56 1HB ARG 56 -1.043 -11.717 2.451 433 HG2 ARG 56 2HG ARG 56 -3.259 -10.552 1.134 434 HG3 ARG 56 1HG ARG 56 -2.061 -9.273 1.175 435 HD2 ARG 56 2HD ARG 56 -1.921 -11.920 -0.261 436 HD3 ARG 56 1HD ARG 56 -1.499 -10.343 -0.801 437 HE ARG 56 HE ARG 56 0.593 -10.475 0.338 438 HH11 ARG 56 1HH2 ARG 56 -1.353 -13.383 0.657 439 HH12 ARG 56 2HH2 ARG 56 -0.025 -14.379 1.022 440 HH21 ARG 56 1HH1 ARG 56 2.353 -11.842 0.827 441 HH22 ARG 56 2HH1 ARG 56 2.107 -13.508 1.131 442 HA PRO 57 HA PRO 57 -5.425 -8.405 5.118 443 HB2 PRO 57 2HB PRO 57 -5.066 -8.370 7.808 444 HB3 PRO 57 1HB PRO 57 -6.234 -9.415 6.978 445 HG2 PRO 57 2HG PRO 57 -3.497 -10.098 7.973 446 HG3 PRO 57 1HG PRO 57 -4.980 -11.066 8.045 447 HD2 PRO 57 2HD PRO 57 -3.129 -11.585 6.203 448 HD3 PRO 57 1HD PRO 57 -4.845 -11.716 5.752 449 H ILE 58 H ILE 58 -5.074 -6.262 6.374 450 HA ILE 58 HA ILE 58 -2.700 -5.059 5.493 451 HB ILE 58 HB ILE 58 -4.682 -4.179 7.612 452 HG12 ILE 58 2HG1 ILE 58 -4.343 -3.178 4.788 453 HG13 ILE 58 1HG1 ILE 58 -5.445 -4.508 5.158 454 HG21 ILE 58 1HG2 ILE 58 -2.437 -3.036 7.830 455 HG22 ILE 58 2HG2 ILE 58 -3.766 -1.985 7.384 456 HG23 ILE 58 3HG2 ILE 58 -2.624 -2.512 6.149 457 HD11 ILE 58 3HD1 ILE 58 -6.366 -2.090 5.099 458 HD12 ILE 58 1HD1 ILE 58 -5.575 -1.904 6.663 459 HD13 ILE 58 2HD1 ILE 58 -6.829 -3.127 6.455 460 H VAL 59 H VAL 59 -1.093 -6.484 6.244 461 HA VAL 59 HA VAL 59 -0.164 -5.831 8.951 462 HB VAL 59 HB VAL 59 0.494 -8.164 9.328 463 HG11 VAL 59 1HG1 VAL 59 -2.408 -8.174 8.548 464 HG12 VAL 59 2HG1 VAL 59 -1.842 -7.237 9.934 465 HG13 VAL 59 3HG1 VAL 59 -1.657 -8.993 9.914 466 HG21 VAL 59 3HG2 VAL 59 -1.086 -9.602 7.458 467 HG22 VAL 59 1HG2 VAL 59 0.668 -9.550 7.522 468 HG23 VAL 59 2HG2 VAL 59 -0.211 -8.436 6.493 469 H SER 60 H SER 60 2.116 -5.862 9.111 470 HA SER 60 HA SER 60 3.533 -6.046 6.517 471 HB2 SER 60 2HB SER 60 4.602 -4.877 9.096 472 HB3 SER 60 1HB SER 60 5.290 -4.778 7.495 473 HG SER 60 HG SER 60 2.700 -3.822 7.633 474 H THR 61 H THR 61 4.343 -8.074 6.261 475 HA THR 61 HA THR 61 4.770 -9.797 8.491 476 HB THR 61 HB THR 61 5.649 -11.351 6.914 477 HG1 THR 61 1HG THR 61 6.971 -9.562 5.969 478 HG21 THR 61 3HG2 THR 61 3.901 -11.526 5.362 479 HG22 THR 61 1HG2 THR 61 3.729 -9.780 5.203 480 HG23 THR 61 2HG2 THR 61 3.186 -10.598 6.677 481 H LYS 62 H LYS 62 6.055 -8.612 9.904 482 HA LYS 62 HA LYS 62 8.365 -7.229 9.110 483 HB2 LYS 62 2HB LYS 62 7.791 -8.303 11.866 484 HB3 LYS 62 1HB LYS 62 8.870 -6.975 11.444 485 HG2 LYS 62 2HG LYS 62 6.367 -6.322 10.277 486 HG3 LYS 62 1HG LYS 62 5.983 -6.935 11.874 487 HD2 LYS 62 2HD LYS 62 7.820 -4.640 11.185 488 HD3 LYS 62 1HD LYS 62 6.333 -4.581 12.138 489 HE2 LYS 62 2HE LYS 62 7.802 -6.362 13.646 490 HE3 LYS 62 1HE LYS 62 9.072 -5.386 12.884 491 HZ1 LYS 62 3HZ LYS 62 8.074 -3.416 13.682 492 HZ2 LYS 62 1HZ LYS 62 8.453 -4.456 14.952 493 HZ3 LYS 62 2HZ LYS 62 6.840 -4.305 14.502 494 H LYS 63 H LYS 63 9.845 -8.397 8.005 495 HA LYS 63 HA LYS 63 10.986 -10.763 9.363 496 HB2 LYS 63 2HB LYS 63 11.455 -9.767 6.550 497 HB3 LYS 63 1HB LYS 63 12.146 -11.219 7.252 498 HG2 LYS 63 2HG LYS 63 9.701 -11.992 7.684 499 HG3 LYS 63 1HG LYS 63 9.224 -10.686 6.629 500 HD2 LYS 63 2HD LYS 63 11.247 -12.764 5.764 501 HD3 LYS 63 1HD LYS 63 9.514 -12.948 5.514 502 HE2 LYS 63 2HE LYS 63 9.388 -11.184 3.983 503 HE3 LYS 63 1HE LYS 63 10.823 -10.404 4.644 504 HZ1 LYS 63 3HZ LYS 63 11.648 -11.275 2.725 505 HZ2 LYS 63 1HZ LYS 63 10.617 -12.581 2.700 506 HZ3 LYS 63 2HZ LYS 63 11.983 -12.589 3.712 507 H LEU 64 H LEU 64 12.931 -10.640 10.250 508 HA LEU 64 HA LEU 64 14.545 -8.219 9.766 509 HB2 LEU 64 2HB LEU 64 13.716 -8.288 12.074 510 HB3 LEU 64 1HB LEU 64 14.336 -9.917 12.269 511 HG LEU 64 HG LEU 64 16.650 -9.135 12.095 512 HD11 LEU 64 1HD1 LEU 64 16.712 -7.403 10.540 513 HD12 LEU 64 2HD1 LEU 64 16.810 -6.488 12.048 514 HD13 LEU 64 3HD1 LEU 64 15.272 -6.626 11.202 515 HD21 LEU 64 3HD2 LEU 64 16.746 -7.785 14.088 516 HD22 LEU 64 1HD2 LEU 64 15.345 -8.848 14.276 517 HD23 LEU 64 2HD2 LEU 64 15.127 -7.165 13.797 518 H ASP 65 H ASP 65 15.912 -8.813 8.264 519 HA ASP 65 HA ASP 65 16.850 -11.515 8.109 520 HB2 ASP 65 2HB ASP 65 16.847 -9.183 6.297 521 HB3 ASP 65 1HB ASP 65 18.171 -10.304 6.088 522 H LYS 66 H LYS 66 18.996 -11.891 7.348 523 HA LYS 66 HA LYS 66 21.045 -11.748 9.130 524 HB2 LYS 66 2HB LYS 66 22.548 -12.112 7.211 525 HB3 LYS 66 1HB LYS 66 21.129 -13.146 7.111 526 HG2 LYS 66 2HG LYS 66 21.017 -10.446 5.703 527 HG3 LYS 66 1HG LYS 66 21.983 -11.721 5.015 528 HD2 LYS 66 2HD LYS 66 20.198 -13.137 4.642 529 HD3 LYS 66 1HD LYS 66 19.088 -12.376 5.736 530 HE2 LYS 66 2HE LYS 66 19.159 -10.321 4.226 531 HE3 LYS 66 1HE LYS 66 20.102 -11.286 3.085 532 HZ1 LYS 66 3HZ LYS 66 18.065 -11.677 2.326 533 HZ2 LYS 66 1HZ LYS 66 17.252 -11.444 3.768 534 HZ3 LYS 66 2HZ LYS 66 18.056 -12.924 3.421 535 H GLU 67 H GLU 67 19.960 -9.320 6.907 536 HA GLU 67 HA GLU 67 22.191 -7.608 6.871 537 HB2 GLU 67 2HB GLU 67 19.246 -7.064 6.414 538 HB3 GLU 67 1HB GLU 67 20.530 -5.890 6.144 539 HG2 GLU 67 2HG GLU 67 21.601 -7.327 4.510 540 HG3 GLU 67 1HG GLU 67 20.443 -8.614 4.803 541 H GLY 68 H GLY 68 19.455 -7.898 9.086 542 HA2 GLY 68 2HA GLY 68 19.534 -7.141 11.338 543 HA3 GLY 68 1HA GLY 68 20.757 -5.963 10.886 544 H ARG 69 H ARG 69 18.276 -6.320 8.611 545 HA ARG 69 HA ARG 69 17.018 -3.779 9.473 546 HB2 ARG 69 2HB ARG 69 16.751 -5.142 6.781 547 HB3 ARG 69 1HB ARG 69 16.352 -3.501 7.221 548 HG2 ARG 69 2HG ARG 69 19.174 -4.613 7.191 549 HG3 ARG 69 1HG ARG 69 18.417 -3.676 5.905 550 HD2 ARG 69 2HD ARG 69 18.033 -1.958 8.052 551 HD3 ARG 69 1HD ARG 69 19.436 -2.843 8.533 552 HE ARG 69 HE ARG 69 19.887 -2.120 5.867 553 HH11 ARG 69 1HH2 ARG 69 19.589 -0.699 9.035 554 HH12 ARG 69 2HH2 ARG 69 20.643 0.606 8.693 555 HH21 ARG 69 1HH1 ARG 69 21.298 -0.352 5.413 556 HH22 ARG 69 2HH1 ARG 69 21.612 0.793 6.638 557 H THR 70 H THR 70 14.847 -3.866 9.935 558 HA THR 70 HA THR 70 13.523 -6.497 9.667 559 HB THR 70 HB THR 70 12.392 -4.093 11.043 560 HG1 THR 70 1HG THR 70 14.539 -4.822 11.859 561 HG21 THR 70 3HG2 THR 70 11.351 -6.619 10.471 562 HG22 THR 70 1HG2 THR 70 10.715 -5.445 11.612 563 HG23 THR 70 2HG2 THR 70 11.797 -6.714 12.172 564 H HIS 71 H HIS 71 12.407 -6.746 7.869 565 HA HIS 71 HA HIS 71 11.686 -4.432 6.239 566 HB2 HIS 71 2HB HIS 71 12.791 -6.764 5.562 567 HB3 HIS 71 1HB HIS 71 11.118 -7.229 5.421 568 HD1 HIS 71 1HD HIS 71 13.757 -5.572 3.549 569 HD2 HIS 71 2HD HIS 71 9.568 -5.344 3.551 570 HE1 HIS 71 1HE HIS 71 13.056 -4.534 1.327 571 HE2 HIS 71 2HE HIS 71 10.517 -4.431 1.315 572 H HIS 72 H HIS 72 9.668 -3.657 6.026 573 HA HIS 72 HA HIS 72 7.397 -5.153 7.148 574 HB2 HIS 72 2HB HIS 72 7.825 -2.273 6.337 575 HB3 HIS 72 1HB HIS 72 6.217 -2.937 6.327 576 HD1 HIS 72 1HD HIS 72 4.975 -2.786 8.492 577 HD2 HIS 72 2HD HIS 72 9.125 -2.730 9.045 578 HE1 HIS 72 1HE HIS 72 5.375 -2.381 10.957 579 HE2 HIS 72 2HE HIS 72 7.895 -2.352 11.328 580 H TYR 73 H TYR 73 6.617 -6.577 5.638 581 HA TYR 73 HA TYR 73 6.374 -5.651 2.848 582 HB2 TYR 73 2HB TYR 73 6.305 -8.413 4.059 583 HB3 TYR 73 1HB TYR 73 5.842 -8.109 2.406 584 HD1 TYR 73 2HD TYR 73 7.523 -7.015 0.831 585 HD2 TYR 73 1HD TYR 73 8.637 -8.607 4.672 586 HE1 TYR 73 2HE TYR 73 9.871 -7.074 0.119 587 HE2 TYR 73 1HE TYR 73 11.020 -8.659 3.920 588 HH TYR 73 HH TYR 73 12.315 -7.169 2.059 589 H MET 74 H MET 74 4.530 -4.419 3.028 590 HA MET 74 HA MET 74 2.104 -5.851 3.892 591 HB2 MET 74 2HB MET 74 2.835 -4.262 5.613 592 HB3 MET 74 1HB MET 74 2.792 -2.960 4.430 593 HG2 MET 74 2HG MET 74 0.360 -3.327 4.102 594 HG3 MET 74 1HG MET 74 0.401 -4.658 5.240 595 HE1 MET 74 3HE MET 74 0.951 -0.204 6.016 596 HE2 MET 74 1HE MET 74 0.974 -1.088 4.483 597 HE3 MET 74 2HE MET 74 2.377 -1.104 5.537 598 H ARG 75 H ARG 75 0.455 -5.802 2.505 599 HA ARG 75 HA ARG 75 0.286 -3.625 0.569 600 HB2 ARG 75 2HB ARG 75 -0.292 -5.112 -1.247 601 HB3 ARG 75 1HB ARG 75 1.293 -5.559 -0.628 602 HG2 ARG 75 2HG ARG 75 0.593 -7.627 -0.057 603 HG3 ARG 75 1HG ARG 75 -0.779 -7.020 0.831 604 HD2 ARG 75 2HD ARG 75 -1.707 -8.325 -0.951 605 HD3 ARG 75 1HD ARG 75 -1.951 -6.650 -1.380 606 HE ARG 75 HE ARG 75 0.518 -7.610 -2.441 607 HH11 ARG 75 1HH2 ARG 75 -2.978 -7.669 -2.870 608 HH12 ARG 75 2HH2 ARG 75 -2.882 -7.986 -4.545 609 HH21 ARG 75 1HH1 ARG 75 0.592 -8.038 -4.757 610 HH22 ARG 75 2HH1 ARG 75 -0.870 -8.183 -5.614 611 H PHE 76 H PHE 76 -1.853 -3.152 -0.059 612 HA PHE 76 HA PHE 76 -3.952 -4.761 1.029 613 HB2 PHE 76 2HB PHE 76 -5.017 -2.919 2.342 614 HB3 PHE 76 1HB PHE 76 -3.514 -3.551 3.011 615 HD1 PHE 76 2HD PHE 76 -1.471 -2.209 3.009 616 HD2 PHE 76 1HD PHE 76 -5.130 -0.661 1.366 617 HE1 PHE 76 2HE PHE 76 -0.516 0.070 3.028 618 HE2 PHE 76 1HE PHE 76 -4.145 1.639 1.400 619 HZ PHE 76 HZ PHE 76 -1.855 1.985 2.227 620 H HIS 77 H HIS 77 -6.102 -4.043 0.506 621 HA HIS 77 HA HIS 77 -6.084 -2.725 -2.111 622 HB2 HIS 77 2HB HIS 77 -7.631 -5.015 -1.014 623 HB3 HIS 77 1HB HIS 77 -8.494 -3.890 -2.055 624 HD1 HIS 77 1HD HIS 77 -5.426 -6.257 -2.166 625 HD2 HIS 77 2HD HIS 77 -7.867 -4.040 -4.770 626 HE1 HIS 77 1HE HIS 77 -4.834 -6.954 -4.478 627 HE2 HIS 77 2HE HIS 77 -6.287 -5.640 -6.086 628 H VAL 78 H VAL 78 -7.580 -1.136 -2.552 629 HA VAL 78 HA VAL 78 -9.239 -0.238 -0.300 630 HB VAL 78 HB VAL 78 -8.564 1.992 -0.475 631 HG11 VAL 78 1HG1 VAL 78 -6.782 0.357 0.427 632 HG12 VAL 78 2HG1 VAL 78 -6.228 1.978 -0.026 633 HG13 VAL 78 3HG1 VAL 78 -5.948 0.623 -1.108 634 HG21 VAL 78 3HG2 VAL 78 -8.622 2.443 -2.801 635 HG22 VAL 78 1HG2 VAL 78 -7.437 1.187 -3.165 636 HG23 VAL 78 2HG2 VAL 78 -6.933 2.687 -2.376 637 H GLU 79 H GLU 79 -11.013 1.050 -0.911 638 HA GLU 79 HA GLU 79 -11.867 0.540 -3.687 639 HB2 GLU 79 2HB GLU 79 -13.509 1.020 -1.213 640 HB3 GLU 79 1HB GLU 79 -14.158 1.003 -2.858 641 HG2 GLU 79 2HG GLU 79 -13.376 -1.275 -3.192 642 HG3 GLU 79 1HG GLU 79 -12.632 -1.311 -1.601 643 H SER 80 H SER 80 -11.749 2.133 -4.967 644 HA SER 80 HA SER 80 -11.481 4.868 -3.991 645 HB2 SER 80 2HB SER 80 -11.466 4.404 -6.904 646 HB3 SER 80 1HB SER 80 -10.341 5.215 -5.822 647 HG SER 80 HG SER 80 -10.619 2.419 -6.177 648 H LYS 81 H LYS 81 -12.590 6.381 -5.877 649 HA LYS 81 HA LYS 81 -15.317 6.260 -5.153 650 HB2 LYS 81 2HB LYS 81 -14.100 7.807 -7.461 651 HB3 LYS 81 1HB LYS 81 -15.656 8.077 -6.714 652 HG2 LYS 81 2HG LYS 81 -12.960 8.433 -5.376 653 HG3 LYS 81 1HG LYS 81 -14.091 9.702 -5.844 654 HD2 LYS 81 2HD LYS 81 -15.725 8.253 -4.285 655 HD3 LYS 81 1HD LYS 81 -14.205 7.822 -3.523 656 HE2 LYS 81 2HE LYS 81 -14.004 10.653 -3.881 657 HE3 LYS 81 1HE LYS 81 -15.658 10.305 -3.399 658 HZ1 LYS 81 3HZ LYS 81 -14.374 10.779 -1.653 659 HZ2 LYS 81 1HZ LYS 81 -13.236 9.579 -1.818 660 HZ3 LYS 81 2HZ LYS 81 -14.905 9.253 -1.385 661 H LYS 82 H LYS 82 -13.505 5.042 -7.870 662 HA LYS 82 HA LYS 82 -15.991 3.899 -9.034 663 HB2 LYS 82 2HB LYS 82 -13.639 4.990 -10.601 664 HB3 LYS 82 1HB LYS 82 -15.159 4.385 -11.240 665 HG2 LYS 82 2HG LYS 82 -14.960 6.786 -9.375 666 HG3 LYS 82 1HG LYS 82 -15.128 6.883 -11.120 667 HD2 LYS 82 2HD LYS 82 -17.266 6.048 -11.143 668 HD3 LYS 82 1HD LYS 82 -17.175 5.241 -9.602 669 HE2 LYS 82 2HE LYS 82 -16.713 8.086 -9.246 670 HE3 LYS 82 1HE LYS 82 -18.225 7.811 -10.118 671 HZ1 LYS 82 3HZ LYS 82 -17.542 6.223 -7.722 672 HZ2 LYS 82 1HZ LYS 82 -19.038 6.468 -8.414 673 HZ3 LYS 82 2HZ LYS 82 -18.314 7.722 -7.545 674 H LYS 83 H LYS 83 -12.738 3.321 -8.067 675 HA LYS 83 HA LYS 83 -12.913 0.603 -9.194 676 HB2 LYS 83 2HB LYS 83 -10.480 2.366 -9.007 677 HB3 LYS 83 1HB LYS 83 -10.502 0.671 -9.496 678 HG2 LYS 83 2HG LYS 83 -12.107 1.221 -11.294 679 HG3 LYS 83 1HG LYS 83 -11.953 2.931 -10.891 680 HD2 LYS 83 2HD LYS 83 -9.507 2.773 -11.280 681 HD3 LYS 83 1HD LYS 83 -9.775 1.072 -11.757 682 HE2 LYS 83 2HE LYS 83 -11.533 2.068 -13.360 683 HE3 LYS 83 1HE LYS 83 -10.709 3.580 -13.111 684 HZ1 LYS 83 3HZ LYS 83 -8.893 2.956 -14.391 685 HZ2 LYS 83 1HZ LYS 83 -9.911 1.737 -14.940 686 HZ3 LYS 83 2HZ LYS 83 -8.863 1.415 -13.686 687 H ILE 84 H ILE 84 -11.533 -0.949 -8.107 688 HA ILE 84 HA ILE 84 -11.061 -0.353 -5.252 689 HB ILE 84 HB ILE 84 -11.086 -3.137 -6.436 690 HG12 ILE 84 2HG1 ILE 84 -13.505 -2.941 -5.240 691 HG13 ILE 84 1HG1 ILE 84 -13.399 -1.315 -5.875 692 HG21 ILE 84 1HG2 ILE 84 -11.400 -1.948 -3.687 693 HG22 ILE 84 2HG2 ILE 84 -10.170 -3.064 -4.264 694 HG23 ILE 84 3HG2 ILE 84 -11.833 -3.612 -4.063 695 HD11 ILE 84 3HD1 ILE 84 -12.498 -2.950 -7.984 696 HD12 ILE 84 1HD1 ILE 84 -14.049 -2.127 -7.867 697 HD13 ILE 84 2HD1 ILE 84 -13.894 -3.791 -7.311 698 H ALA 85 H ALA 85 -9.005 0.013 -4.834 699 HA ALA 85 HA ALA 85 -6.997 -0.780 -6.865 700 HB1 ALA 85 1HB ALA 85 -6.327 1.348 -4.913 701 HB2 ALA 85 2HB ALA 85 -7.558 1.731 -6.113 702 HB3 ALA 85 3HB ALA 85 -5.951 1.212 -6.626 703 H LEU 86 H LEU 86 -4.862 -1.225 -6.233 704 HA LEU 86 HA LEU 86 -4.648 -2.555 -3.612 705 HB2 LEU 86 2HB LEU 86 -4.415 -4.221 -5.168 706 HB3 LEU 86 1HB LEU 86 -3.564 -3.241 -6.328 707 HG LEU 86 HG LEU 86 -1.604 -3.168 -4.703 708 HD11 LEU 86 1HD1 LEU 86 -2.191 -3.678 -2.608 709 HD12 LEU 86 2HD1 LEU 86 -1.909 -5.330 -3.123 710 HD13 LEU 86 3HD1 LEU 86 -3.560 -4.690 -3.081 711 HD21 LEU 86 3HD2 LEU 86 -2.583 -5.863 -5.679 712 HD22 LEU 86 1HD2 LEU 86 -0.948 -5.561 -5.090 713 HD23 LEU 86 2HD2 LEU 86 -1.529 -4.740 -6.538 714 H VAL 87 H VAL 87 -3.153 -1.884 -2.226 715 HA VAL 87 HA VAL 87 -1.121 0.053 -3.167 716 HB VAL 87 HB VAL 87 -2.572 -0.150 -0.521 717 HG11 VAL 87 1HG1 VAL 87 -0.139 1.416 -1.334 718 HG12 VAL 87 2HG1 VAL 87 -0.447 0.504 0.144 719 HG13 VAL 87 3HG1 VAL 87 -1.243 2.051 -0.115 720 HG21 VAL 87 3HG2 VAL 87 -2.487 2.340 -2.213 721 HG22 VAL 87 1HG2 VAL 87 -3.735 1.791 -1.107 722 HG23 VAL 87 2HG2 VAL 87 -3.582 1.048 -2.690 723 H HIS 88 H HIS 88 0.946 -0.570 -2.841 724 HA HIS 88 HA HIS 88 1.481 -2.767 -0.935 725 HB2 HIS 88 2HB HIS 88 1.591 -3.551 -3.302 726 HB3 HIS 88 1HB HIS 88 2.820 -2.321 -3.599 727 HD1 HIS 88 1HD HIS 88 4.230 -4.628 -4.209 728 HD2 HIS 88 2HD HIS 88 3.473 -3.897 -0.157 729 HE1 HIS 88 1HE HIS 88 5.877 -6.040 -2.874 730 HE2 HIS 88 2HE HIS 88 5.424 -5.614 -0.427 731 H LEU 89 H LEU 89 2.708 -2.049 0.678 732 HA LEU 89 HA LEU 89 4.723 0.027 0.105 733 HB2 LEU 89 2HB LEU 89 2.865 0.901 1.458 734 HB3 LEU 89 1HB LEU 89 3.160 -0.357 2.656 735 HG LEU 89 HG LEU 89 5.688 0.904 2.155 736 HD11 LEU 89 1HD1 LEU 89 4.035 2.746 1.321 737 HD12 LEU 89 2HD1 LEU 89 5.417 3.154 2.320 738 HD13 LEU 89 3HD1 LEU 89 3.814 3.042 3.047 739 HD21 LEU 89 3HD2 LEU 89 4.934 -0.146 4.278 740 HD22 LEU 89 1HD2 LEU 89 3.788 1.170 4.517 741 HD23 LEU 89 2HD2 LEU 89 5.523 1.484 4.539 742 H GLU 90 H GLU 90 6.736 -0.498 0.557 743 HA GLU 90 HA GLU 90 7.198 -2.518 2.618 744 HB2 GLU 90 2HB GLU 90 8.802 -2.094 0.108 745 HB3 GLU 90 1HB GLU 90 9.462 -2.894 1.530 746 HG2 GLU 90 2HG GLU 90 7.709 -4.544 1.487 747 HG3 GLU 90 1HG GLU 90 6.909 -3.803 0.125 748 H ALA 91 H ALA 91 8.312 -1.925 4.255 749 HA ALA 91 HA ALA 91 10.061 0.395 4.101 750 HB1 ALA 91 1HB ALA 91 9.115 1.441 6.070 751 HB2 ALA 91 2HB ALA 91 8.034 0.080 6.330 752 HB3 ALA 91 3HB ALA 91 7.785 1.145 4.953 753 H LYS 92 H LYS 92 11.569 0.396 5.995 754 HA LYS 92 HA LYS 92 11.547 -2.203 7.319 755 HB2 LYS 92 2HB LYS 92 13.961 -2.492 7.145 756 HB3 LYS 92 1HB LYS 92 13.179 -2.468 5.571 757 HG2 LYS 92 2HG LYS 92 13.923 -0.187 5.153 758 HG3 LYS 92 1HG LYS 92 14.505 -0.025 6.797 759 HD2 LYS 92 2HD LYS 92 16.246 -1.627 6.498 760 HD3 LYS 92 1HD LYS 92 15.621 -2.166 4.948 761 HE2 LYS 92 2HE LYS 92 16.451 0.711 5.363 762 HE3 LYS 92 1HE LYS 92 17.644 -0.516 4.992 763 HZ1 LYS 92 3HZ LYS 92 17.111 -0.203 2.889 764 HZ2 LYS 92 1HZ LYS 92 15.769 0.710 3.211 765 HZ3 LYS 92 2HZ LYS 92 15.677 -0.985 3.103 766 H GLU 93 H GLU 93 12.115 -2.358 9.346 767 HA GLU 93 HA GLU 93 12.558 0.155 10.853 768 HB2 GLU 93 2HB GLU 93 12.414 -2.614 12.108 769 HB3 GLU 93 1HB GLU 93 12.138 -1.060 12.791 770 HG2 GLU 93 2HG GLU 93 10.054 -0.711 11.583 771 HG3 GLU 93 1HG GLU 93 10.300 -2.218 10.689 772 H SER 94 H SER 94 14.492 0.695 11.607 773 HA SER 94 HA SER 94 16.788 -0.512 10.592 774 HB2 SER 94 2HB SER 94 17.553 0.805 12.884 775 HB3 SER 94 1HB SER 94 17.429 1.503 11.283 776 HG SER 94 HG SER 94 15.667 2.497 11.871 777 H LYS 95 H LYS 95 16.052 -0.188 13.984 778 HA LYS 95 HA LYS 95 16.562 -3.010 14.345 779 HB2 LYS 95 2HB LYS 95 18.508 -1.153 14.858 780 HB3 LYS 95 1HB LYS 95 17.806 -1.361 16.450 781 HG2 LYS 95 2HG LYS 95 19.514 -3.023 16.265 782 HG3 LYS 95 1HG LYS 95 17.979 -3.881 16.094 783 HD2 LYS 95 2HD LYS 95 18.791 -3.021 13.441 784 HD3 LYS 95 1HD LYS 95 20.171 -3.770 14.219 785 HE2 LYS 95 2HE LYS 95 17.437 -4.947 13.812 786 HE3 LYS 95 1HE LYS 95 18.958 -5.519 13.119 787 HZ1 LYS 95 3HZ LYS 95 19.314 -6.735 14.905 788 HZ2 LYS 95 1HZ LYS 95 17.775 -6.358 15.456 789 HZ3 LYS 95 2HZ LYS 95 19.094 -5.441 15.979 790 H GLN 96 H GLN 96 16.025 -0.112 16.338 791 HA GLN 96 HA GLN 96 13.648 -1.422 17.546 792 HB2 GLN 96 2HB GLN 96 15.506 0.512 18.944 793 HB3 GLN 96 1HB GLN 96 14.184 -0.412 19.648 794 HG2 GLN 96 2HG GLN 96 15.601 -2.105 20.074 795 HG3 GLN 96 1HG GLN 96 15.850 -2.334 18.351 796 HE21 GLN 96 1HE2 GLN 96 18.082 -2.466 18.059 797 HE22 GLN 96 2HE2 GLN 96 19.191 -1.375 18.721 798 H ASN 97 H ASN 97 14.398 0.767 15.414 799 HA ASN 97 HA ASN 97 13.222 3.194 16.220 800 HB2 ASN 97 2HB ASN 97 14.559 2.925 14.130 801 HB3 ASN 97 1HB ASN 97 13.175 2.084 13.416 802 HD21 ASN 97 1HD2 ASN 97 13.877 4.285 12.039 803 HD22 ASN 97 2HD2 ASN 97 12.855 5.590 12.367 804 H TYR 98 H TYR 98 11.235 3.974 16.239 805 HA TYR 98 HA TYR 98 9.049 2.286 16.717 806 HB2 TYR 98 2HB TYR 98 9.099 5.226 16.026 807 HB3 TYR 98 1HB TYR 98 7.715 4.363 16.672 808 HD1 TYR 98 1HD TYR 98 11.208 5.397 17.398 809 HD2 TYR 98 2HD TYR 98 7.569 3.744 18.988 810 HE1 TYR 98 1HE TYR 98 12.081 5.670 19.691 811 HE2 TYR 98 2HE TYR 98 8.439 4.010 21.273 812 HH TYR 98 HH TYR 98 11.509 4.357 22.027 813 H GLN 99 H GLN 99 9.851 4.283 13.892 814 HA GLN 99 HA GLN 99 7.847 2.754 12.394 815 HB2 GLN 99 2HB GLN 99 8.609 5.656 12.136 816 HB3 GLN 99 1HB GLN 99 7.757 4.793 10.861 817 HG2 GLN 99 2HG GLN 99 6.780 4.976 13.735 818 HG3 GLN 99 1HG GLN 99 6.218 6.000 12.425 819 HE21 GLN 99 1HE2 GLN 99 6.332 2.565 13.458 820 HE22 GLN 99 2HE2 GLN 99 5.022 2.084 12.506 821 HA PRO 100 HA PRO 100 11.185 1.238 9.964 822 HB2 PRO 100 2HB PRO 100 9.750 0.249 7.927 823 HB3 PRO 100 1HB PRO 100 9.751 -0.520 9.526 824 HG2 PRO 100 2HG PRO 100 7.733 1.364 8.370 825 HG3 PRO 100 1HG PRO 100 7.452 -0.163 9.236 826 HD2 PRO 100 2HD PRO 100 7.228 2.214 10.445 827 HD3 PRO 100 1HD PRO 100 7.863 0.792 11.312 828 H ASP 101 H ASP 101 12.278 1.816 8.077 829 HA ASP 101 HA ASP 101 11.739 4.424 6.960 830 HB2 ASP 101 2HB ASP 101 14.086 3.313 7.274 831 HB3 ASP 101 1HB ASP 101 13.648 2.375 5.890 832 H PHE 102 H PHE 102 10.499 4.787 5.161 833 HA PHE 102 HA PHE 102 9.155 2.623 3.836 834 HB2 PHE 102 2HB PHE 102 9.480 5.528 3.003 835 HB3 PHE 102 1HB PHE 102 8.440 4.363 2.207 836 HD1 PHE 102 1HD PHE 102 6.834 3.004 3.886 837 HD2 PHE 102 2HD PHE 102 8.494 6.895 4.644 838 HE1 PHE 102 1HE PHE 102 5.027 3.464 5.517 839 HE2 PHE 102 2HE PHE 102 6.686 7.349 6.273 840 HZ PHE 102 HZ PHE 102 4.953 5.631 6.715 841 H ILE 103 H ILE 103 9.937 1.304 2.360 842 HA ILE 103 HA ILE 103 12.441 2.050 1.050 843 HB ILE 103 HB ILE 103 11.096 -0.642 1.385 844 HG12 ILE 103 2HG1 ILE 103 13.695 0.402 2.553 845 HG13 ILE 103 1HG1 ILE 103 12.173 0.457 3.436 846 HG21 ILE 103 1HG2 ILE 103 12.348 -0.621 -0.704 847 HG22 ILE 103 2HG2 ILE 103 13.294 -1.492 0.490 848 HG23 ILE 103 3HG2 ILE 103 13.718 0.162 0.080 849 HD11 ILE 103 3HD1 ILE 103 13.845 -1.603 3.649 850 HD12 ILE 103 1HD1 ILE 103 12.963 -2.168 2.234 851 HD13 ILE 103 2HD1 ILE 103 12.099 -1.818 3.730 852 H ASN 104 H ASN 104 9.442 0.324 0.272 853 HA ASN 104 HA ASN 104 9.430 1.701 -2.340 854 HB2 ASN 104 2HB ASN 104 10.288 -0.699 -2.482 855 HB3 ASN 104 1HB ASN 104 8.650 -1.187 -2.055 856 HD21 ASN 104 1HD2 ASN 104 10.318 -1.178 -4.673 857 HD22 ASN 104 2HD2 ASN 104 9.238 -0.583 -5.840 858 H MET 105 H MET 105 7.407 2.180 -3.052 859 HA MET 105 HA MET 105 5.071 1.117 -1.779 860 HB2 MET 105 2HB MET 105 5.392 2.685 -0.112 861 HB3 MET 105 1HB MET 105 5.880 3.972 -1.184 862 HG2 MET 105 2HG MET 105 3.614 4.452 -0.519 863 HG3 MET 105 1HG MET 105 3.515 3.900 -2.178 864 HE1 MET 105 3HE MET 105 2.125 3.306 1.447 865 HE2 MET 105 1HE MET 105 0.665 2.758 0.610 866 HE3 MET 105 2HE MET 105 1.490 4.226 0.111 867 H TYR 106 H TYR 106 3.656 0.802 -3.334 868 HA TYR 106 HA TYR 106 3.239 2.878 -5.324 869 HB2 TYR 106 2HB TYR 106 3.342 1.336 -7.235 870 HB3 TYR 106 1HB TYR 106 4.887 1.440 -6.409 871 HD1 TYR 106 2HD TYR 106 5.772 -0.438 -5.106 872 HD2 TYR 106 1HD TYR 106 1.956 -0.703 -7.082 873 HE1 TYR 106 2HE TYR 106 5.784 -2.873 -4.795 874 HE2 TYR 106 1HE TYR 106 1.968 -3.144 -6.779 875 HH TYR 106 HH TYR 106 4.259 -4.924 -6.409 876 H VAL 107 H VAL 107 1.333 2.591 -6.568 877 HA VAL 107 HA VAL 107 -0.717 1.013 -5.129 878 HB VAL 107 HB VAL 107 -0.870 3.799 -6.291 879 HG11 VAL 107 1HG1 VAL 107 -2.918 2.796 -6.953 880 HG12 VAL 107 2HG1 VAL 107 -3.278 3.681 -5.476 881 HG13 VAL 107 3HG1 VAL 107 -3.086 1.930 -5.423 882 HG21 VAL 107 3HG2 VAL 107 -0.136 4.058 -4.110 883 HG22 VAL 107 1HG2 VAL 107 -0.885 2.556 -3.569 884 HG23 VAL 107 2HG2 VAL 107 -1.882 3.981 -3.826 885 H ASP 108 H ASP 108 -1.875 -0.318 -6.292 886 HA ASP 108 HA ASP 108 -1.604 -0.228 -9.236 887 HB2 ASP 108 2HB ASP 108 -0.815 -2.344 -7.845 888 HB3 ASP 108 1HB ASP 108 -2.508 -2.585 -7.645 889 H VAL 109 H VAL 109 -3.357 0.804 -10.035 890 HA VAL 109 HA VAL 109 -5.974 0.215 -8.847 891 HB VAL 109 HB VAL 109 -5.389 2.448 -10.794 892 HG11 VAL 109 1HG1 VAL 109 -7.733 1.805 -10.461 893 HG12 VAL 109 2HG1 VAL 109 -7.406 3.419 -9.844 894 HG13 VAL 109 3HG1 VAL 109 -7.569 2.068 -8.722 895 HG21 VAL 109 3HG2 VAL 109 -4.694 2.203 -7.926 896 HG22 VAL 109 1HG2 VAL 109 -5.601 3.657 -8.336 897 HG23 VAL 109 2HG2 VAL 109 -4.073 3.321 -9.139 898 HA PRO 110 HA PRO 110 -6.727 -2.429 -12.308 899 HB2 PRO 110 2HB PRO 110 -9.564 -1.571 -12.002 900 HB3 PRO 110 1HB PRO 110 -8.869 -3.200 -12.067 901 HG2 PRO 110 2HG PRO 110 -9.648 -2.215 -9.754 902 HG3 PRO 110 1HG PRO 110 -8.148 -3.155 -9.870 903 HD2 PRO 110 2HD PRO 110 -8.491 -0.204 -9.567 904 HD3 PRO 110 1HD PRO 110 -7.253 -1.301 -8.907 905 H GLY 111 H GLY 111 -6.728 -2.131 -14.468 906 HA2 GLY 111 2HA GLY 111 -7.057 -1.199 -16.556 907 HA3 GLY 111 1HA GLY 111 -8.217 -0.090 -15.853 908 H GLU 112 H GLU 112 -5.989 0.640 -13.804 909 HA GLU 112 HA GLU 112 -4.679 2.637 -15.539 910 HB2 GLU 112 2HB GLU 112 -4.698 2.679 -12.538 911 HB3 GLU 112 1HB GLU 112 -4.469 4.004 -13.656 912 HG2 GLU 112 2HG GLU 112 -7.090 2.517 -13.264 913 HG3 GLU 112 1HG GLU 112 -6.710 4.091 -12.599 914 H LYS 113 H LYS 113 -2.410 2.939 -15.365 915 HA LYS 113 HA LYS 113 -0.953 0.561 -14.840 916 HB2 LYS 113 2HB LYS 113 0.278 3.302 -15.107 917 HB3 LYS 113 1HB LYS 113 0.970 1.732 -15.495 918 HG2 LYS 113 2HG LYS 113 -1.236 3.185 -16.983 919 HG3 LYS 113 1HG LYS 113 0.361 2.712 -17.563 920 HD2 LYS 113 2HD LYS 113 -0.386 0.301 -16.972 921 HD3 LYS 113 1HD LYS 113 -2.011 0.938 -17.016 922 HE2 LYS 113 2HE LYS 113 -0.010 0.858 -19.259 923 HE3 LYS 113 1HE LYS 113 -1.635 0.178 -19.222 924 HZ1 LYS 113 3HZ LYS 113 -2.474 2.525 -18.988 925 HZ2 LYS 113 1HZ LYS 113 -1.794 2.199 -20.475 926 HZ3 LYS 113 2HZ LYS 113 -0.933 3.090 -19.355 927 H ARG 114 H ARG 114 0.403 0.106 -13.208 928 HA ARG 114 HA ARG 114 -0.260 0.865 -10.614 929 HB2 ARG 114 2HB ARG 114 1.871 -0.251 -9.960 930 HB3 ARG 114 1HB ARG 114 0.863 -1.218 -11.036 931 HG2 ARG 114 2HG ARG 114 2.289 -0.124 -12.965 932 HG3 ARG 114 1HG ARG 114 3.411 0.272 -11.676 933 HD2 ARG 114 2HD ARG 114 3.483 -2.187 -11.037 934 HD3 ARG 114 1HD ARG 114 2.391 -2.458 -12.370 935 HE ARG 114 HE ARG 114 4.066 -1.936 -13.933 936 HH11 ARG 114 1HH2 ARG 114 5.197 -1.956 -10.633 937 HH12 ARG 114 2HH2 ARG 114 6.849 -1.966 -11.045 938 HH21 ARG 114 1HH1 ARG 114 6.294 -1.956 -14.497 939 HH22 ARG 114 2HH1 ARG 114 7.475 -1.966 -13.272 940 H TYR 115 H TYR 115 0.333 2.469 -9.301 941 HA TYR 115 HA TYR 115 2.126 4.546 -10.398 942 HB2 TYR 115 2HB TYR 115 -0.211 5.155 -9.910 943 HB3 TYR 115 1HB TYR 115 0.019 4.713 -8.226 944 HD1 TYR 115 1HD TYR 115 0.924 7.143 -10.880 945 HD2 TYR 115 2HD TYR 115 1.307 6.144 -6.712 946 HE1 TYR 115 1HE TYR 115 1.777 9.409 -10.408 947 HE2 TYR 115 2HE TYR 115 2.161 8.419 -6.255 948 HH TYR 115 HH TYR 115 1.850 10.952 -8.420 949 H TYR 116 H TYR 116 4.078 4.824 -9.452 950 HA TYR 116 HA TYR 116 4.594 3.516 -6.874 951 HB2 TYR 116 2HB TYR 116 6.359 4.551 -9.065 952 HB3 TYR 116 1HB TYR 116 6.983 4.343 -7.431 953 HD1 TYR 116 1HD TYR 116 5.287 2.555 -10.222 954 HD2 TYR 116 2HD TYR 116 7.538 2.203 -6.582 955 HE1 TYR 116 1HE TYR 116 5.583 0.161 -10.641 956 HE2 TYR 116 2HE TYR 116 7.834 -0.189 -6.981 957 HH TYR 116 HH TYR 116 7.880 -1.677 -9.101 958 H LEU 117 H LEU 117 3.829 4.781 -5.333 959 HA LEU 117 HA LEU 117 3.981 7.615 -5.279 960 HB2 LEU 117 2HB LEU 117 2.416 6.332 -3.848 961 HB3 LEU 117 1HB LEU 117 3.804 5.648 -3.001 962 HG LEU 117 HG LEU 117 4.490 7.900 -2.246 963 HD11 LEU 117 1HD1 LEU 117 2.045 8.801 -3.782 964 HD12 LEU 117 2HD1 LEU 117 3.725 9.287 -4.060 965 HD13 LEU 117 3HD1 LEU 117 2.894 9.786 -2.600 966 HD21 LEU 117 3HD2 LEU 117 2.234 6.438 -1.371 967 HD22 LEU 117 1HD2 LEU 117 1.730 8.134 -1.413 968 HD23 LEU 117 2HD2 LEU 117 3.148 7.657 -0.485 969 H ILE 118 H ILE 118 5.997 5.015 -3.952 970 HA ILE 118 HA ILE 118 8.177 6.982 -3.606 971 HB ILE 118 HB ILE 118 7.581 4.574 -1.863 972 HG12 ILE 118 2HG1 ILE 118 7.444 7.548 -1.166 973 HG13 ILE 118 1HG1 ILE 118 6.041 6.553 -1.535 974 HG21 ILE 118 1HG2 ILE 118 9.407 5.490 -0.454 975 HG22 ILE 118 2HG2 ILE 118 9.746 6.694 -1.684 976 HG23 ILE 118 3HG2 ILE 118 9.982 4.978 -2.036 977 HD11 ILE 118 3HD1 ILE 118 7.010 4.974 0.344 978 HD12 ILE 118 1HD1 ILE 118 6.103 6.427 0.776 979 HD13 ILE 118 2HD1 ILE 118 7.866 6.432 0.831 980 H LYS 119 H LYS 119 9.919 6.498 -4.814 981 HA LYS 119 HA LYS 119 10.104 3.915 -6.141 982 HB2 LYS 119 2HB LYS 119 12.216 6.072 -6.234 983 HB3 LYS 119 1HB LYS 119 11.873 4.834 -7.429 984 HG2 LYS 119 2HG LYS 119 10.089 7.189 -6.739 985 HG3 LYS 119 1HG LYS 119 11.033 7.003 -8.206 986 HD2 LYS 119 2HD LYS 119 9.754 4.986 -8.822 987 HD3 LYS 119 1HD LYS 119 8.780 5.140 -7.364 988 HE2 LYS 119 2HE LYS 119 8.976 7.270 -9.508 989 HE3 LYS 119 1HE LYS 119 7.679 6.093 -9.424 990 HZ1 LYS 119 3HZ LYS 119 6.764 7.083 -7.586 991 HZ2 LYS 119 1HZ LYS 119 7.458 8.416 -8.304 992 HZ3 LYS 119 2HZ LYS 119 8.232 7.709 -6.993 993 HA PRO 120 HA PRO 120 12.439 2.284 -2.793 994 HB2 PRO 120 2HB PRO 120 13.714 0.219 -3.994 995 HB3 PRO 120 1HB PRO 120 12.010 0.171 -3.533 996 HG2 PRO 120 2HG PRO 120 13.187 0.743 -6.209 997 HG3 PRO 120 1HG PRO 120 11.774 -0.255 -5.781 998 HD2 PRO 120 2HD PRO 120 11.484 2.226 -6.765 999 HD3 PRO 120 1HD PRO 120 10.373 1.589 -5.530 1000 H LYS 121 H LYS 121 14.346 2.585 -1.882 1001 HA LYS 121 HA LYS 121 16.293 4.178 -3.264 1002 HB2 LYS 121 2HB LYS 121 17.523 3.971 -1.039 1003 HB3 LYS 121 1HB LYS 121 15.967 4.798 -1.011 1004 HG2 LYS 121 2HG LYS 121 15.744 1.873 -0.575 1005 HG3 LYS 121 1HG LYS 121 16.718 2.667 0.636 1006 HD2 LYS 121 2HD LYS 121 13.902 3.545 -0.128 1007 HD3 LYS 121 1HD LYS 121 14.349 2.561 1.272 1008 HE2 LYS 121 2HE LYS 121 15.922 4.519 1.939 1009 HE3 LYS 121 1HE LYS 121 15.036 5.454 0.748 1010 HZ1 LYS 121 3HZ LYS 121 13.713 5.874 2.492 1011 HZ2 LYS 121 1HZ LYS 121 14.207 4.555 3.359 1012 HZ3 LYS 121 2HZ LYS 121 12.969 4.400 2.199 1013 H LEU 122 H LEU 122 16.256 2.149 -4.764 1014 HA LEU 122 HA LEU 122 17.717 -0.153 -4.117 1015 HB2 LEU 122 2HB LEU 122 17.272 1.191 -6.788 1016 HB3 LEU 122 1HB LEU 122 17.979 -0.408 -6.592 1017 HG LEU 122 HG LEU 122 15.248 0.366 -5.507 1018 HD11 LEU 122 1HD1 LEU 122 15.362 0.398 -8.012 1019 HD12 LEU 122 2HD1 LEU 122 14.273 -0.817 -7.354 1020 HD13 LEU 122 3HD1 LEU 122 15.854 -1.297 -7.966 1021 HD21 LEU 122 3HD2 LEU 122 15.713 -1.518 -4.285 1022 HD22 LEU 122 1HD2 LEU 122 16.963 -2.077 -5.391 1023 HD23 LEU 122 2HD2 LEU 122 15.265 -2.349 -5.760 1024 H HIS 123 H HIS 123 18.754 2.909 -5.554 1025 HA HIS 123 HA HIS 123 21.465 2.444 -4.631 1026 HB2 HIS 123 2HB HIS 123 21.499 3.413 -7.414 1027 HB3 HIS 123 1HB HIS 123 22.518 2.221 -6.638 1028 HD1 HIS 123 1HD HIS 123 19.222 2.586 -8.430 1029 HD2 HIS 123 2HD HIS 123 21.706 -0.455 -7.022 1030 HE1 HIS 123 1HE HIS 123 18.301 0.403 -9.372 1031 HE2 HIS 123 2HE HIS 123 19.805 -1.455 -8.515 1032 HA PRO 124 HA PRO 124 20.876 6.851 -4.208 1033 HB2 PRO 124 2HB PRO 124 23.393 7.632 -3.599 1034 HB3 PRO 124 1HB PRO 124 22.364 6.755 -2.463 1035 HG2 PRO 124 2HG PRO 124 24.610 5.709 -4.107 1036 HG3 PRO 124 1HG PRO 124 24.117 5.302 -2.456 1037 HD2 PRO 124 2HD PRO 124 23.515 3.747 -4.655 1038 HD3 PRO 124 1HD PRO 124 22.594 3.733 -3.136 1039 H VAL 125 H VAL 125 20.409 7.623 -6.228 1040 HA VAL 125 HA VAL 125 20.631 8.507 -8.306 1041 HB VAL 125 HB VAL 125 23.605 8.805 -7.773 1042 HG11 VAL 125 1HG1 VAL 125 21.642 10.308 -9.525 1043 HG12 VAL 125 2HG1 VAL 125 22.929 9.236 -10.081 1044 HG13 VAL 125 3HG1 VAL 125 23.326 10.750 -9.280 1045 HG21 VAL 125 3HG2 VAL 125 23.187 10.853 -6.673 1046 HG22 VAL 125 1HG2 VAL 125 22.014 9.769 -5.936 1047 HG23 VAL 125 2HG2 VAL 125 21.507 10.904 -7.182 1048 H SER 126 H SER 126 23.744 6.859 -7.930 1049 HA SER 126 HA SER 126 22.844 4.762 -9.794 1050 HB2 SER 126 2HB SER 126 25.579 5.989 -10.095 1051 HB3 SER 126 1HB SER 126 24.769 4.845 -11.131 1052 HG SER 126 HG SER 126 23.146 6.515 -11.458 1053 H ASN 127 H ASN 127 25.228 5.887 -7.471 1054 HA ASN 127 HA ASN 127 25.134 3.703 -5.854 1055 HB2 ASN 127 2HB ASN 127 27.371 2.623 -6.321 1056 HB3 ASN 127 1HB ASN 127 26.119 2.250 -7.491 1057 HD21 ASN 127 1HD2 ASN 127 26.719 2.583 -9.635 1058 HD22 ASN 127 2HD2 ASN 127 28.014 3.554 -10.153 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.346 1.797 23.735 2 HA2 GLY 1 2HA GLY 1 1.734 1.763 26.129 3 HA3 GLY 1 1HA GLY 1 0.798 1.900 24.643 4 H ALA 2 H ALA 2 0.424 0.146 23.444 5 HA ALA 2 HA ALA 2 1.509 -2.413 24.407 6 HB1 ALA 2 1HB ALA 2 -0.608 -2.146 22.281 7 HB2 ALA 2 2HB ALA 2 -1.018 -1.998 23.995 8 HB3 ALA 2 3HB ALA 2 -0.295 -3.486 23.381 9 H MET 3 H MET 3 2.017 -0.108 22.065 10 HA MET 3 HA MET 3 3.102 -0.038 20.031 11 HB2 MET 3 2HB MET 3 4.759 -2.059 21.582 12 HB3 MET 3 1HB MET 3 5.237 -1.414 20.024 13 HG2 MET 3 2HG MET 3 6.302 0.024 21.571 14 HG3 MET 3 1HG MET 3 4.902 0.928 21.027 15 HE1 MET 3 3HE MET 3 6.406 -1.448 23.439 16 HE2 MET 3 1HE MET 3 4.815 -2.161 23.793 17 HE3 MET 3 2HE MET 3 5.621 -1.168 24.988 18 H GLY 4 H GLY 4 4.446 -1.999 18.557 19 HA2 GLY 4 2HA GLY 4 4.120 -3.752 17.078 20 HA3 GLY 4 1HA GLY 4 2.798 -4.312 18.099 21 H SER 5 H SER 5 2.494 -1.073 17.332 22 HA SER 5 HA SER 5 0.251 -1.563 15.531 23 HB2 SER 5 2HB SER 5 0.218 1.074 15.885 24 HB3 SER 5 1HB SER 5 -0.443 -0.035 17.065 25 HG SER 5 HG SER 5 0.923 0.951 18.318 26 H GLY 6 H GLY 6 3.375 -1.464 14.972 27 HA2 GLY 6 2HA GLY 6 3.972 0.621 13.328 28 HA3 GLY 6 1HA GLY 6 4.652 -0.991 13.109 29 H ASP 7 H ASP 7 2.571 -2.503 12.246 30 HA ASP 7 HA ASP 7 2.277 -1.808 9.532 31 HB2 ASP 7 2HB ASP 7 0.365 -3.471 9.580 32 HB3 ASP 7 1HB ASP 7 1.943 -4.090 10.048 33 H THR 8 H THR 8 0.083 -1.460 12.258 34 HA THR 8 HA THR 8 -2.086 -0.313 10.838 35 HB THR 8 HB THR 8 -1.250 0.089 13.732 36 HG1 THR 8 1HG THR 8 -1.913 -2.102 12.544 37 HG21 THR 8 3HG2 THR 8 -3.592 0.633 14.089 38 HG22 THR 8 1HG2 THR 8 -3.932 0.467 12.369 39 HG23 THR 8 2HG2 THR 8 -2.880 1.761 12.942 40 H GLN 9 H GLN 9 0.649 1.113 12.551 41 HA GLN 9 HA GLN 9 0.034 3.808 12.013 42 HB2 GLN 9 2HB GLN 9 2.546 2.312 12.687 43 HB3 GLN 9 1HB GLN 9 2.649 4.008 12.243 44 HG2 GLN 9 2HG GLN 9 0.675 3.091 14.321 45 HG3 GLN 9 1HG GLN 9 2.361 3.375 14.752 46 HE21 GLN 9 1HE2 GLN 9 1.079 5.356 12.172 47 HE22 GLN 9 2HE2 GLN 9 0.887 6.769 13.067 48 H LEU 10 H LEU 10 2.118 1.452 10.371 49 HA LEU 10 HA LEU 10 2.862 3.170 8.275 50 HB2 LEU 10 2HB LEU 10 2.785 0.168 8.387 51 HB3 LEU 10 1HB LEU 10 3.480 1.103 7.062 52 HG LEU 10 HG LEU 10 4.400 1.074 9.949 53 HD11 LEU 10 1HD1 LEU 10 6.332 0.750 7.879 54 HD12 LEU 10 2HD1 LEU 10 5.073 -0.502 7.811 55 HD13 LEU 10 3HD1 LEU 10 6.002 -0.242 9.305 56 HD21 LEU 10 3HD2 LEU 10 4.743 3.317 9.473 57 HD22 LEU 10 1HD2 LEU 10 4.877 3.047 7.738 58 HD23 LEU 10 2HD2 LEU 10 6.226 2.641 8.803 59 H PHE 11 H PHE 11 0.217 0.894 8.656 60 HA PHE 11 HA PHE 11 -0.804 1.047 6.038 61 HB2 PHE 11 2HB PHE 11 -1.614 -0.630 7.503 62 HB3 PHE 11 1HB PHE 11 -2.109 0.538 8.710 63 HD1 PHE 11 1HD PHE 11 -2.735 -0.285 5.067 64 HD2 PHE 11 2HD PHE 11 -4.307 1.271 8.756 65 HE1 PHE 11 1HE PHE 11 -4.928 -0.057 4.030 66 HE2 PHE 11 2HE PHE 11 -6.538 1.493 7.698 67 HZ PHE 11 HZ PHE 11 -6.856 0.835 5.344 68 H ASN 12 H ASN 12 -1.535 2.901 8.944 69 HA ASN 12 HA ASN 12 -3.452 4.624 7.793 70 HB2 ASN 12 2HB ASN 12 -1.518 5.054 10.080 71 HB3 ASN 12 1HB ASN 12 -2.828 6.139 9.686 72 HD21 ASN 12 1HD2 ASN 12 -2.563 4.566 12.141 73 HD22 ASN 12 2HD2 ASN 12 -3.919 3.547 12.228 74 H ARG 13 H ARG 13 0.021 4.851 8.255 75 HA ARG 13 HA ARG 13 0.411 7.377 7.020 76 HB2 ARG 13 2HB ARG 13 2.221 5.045 7.624 77 HB3 ARG 13 1HB ARG 13 2.798 6.555 6.912 78 HG2 ARG 13 2HG ARG 13 1.982 7.854 8.765 79 HG3 ARG 13 1HG ARG 13 1.171 6.471 9.471 80 HD2 ARG 13 2HD ARG 13 3.158 5.421 10.004 81 HD3 ARG 13 1HD ARG 13 4.208 6.514 9.100 82 HE ARG 13 HE ARG 13 2.520 7.729 11.163 83 HH11 ARG 13 1HH2 ARG 13 5.583 6.221 10.504 84 HH12 ARG 13 2HH2 ARG 13 6.395 6.959 11.817 85 HH21 ARG 13 1HH1 ARG 13 3.559 8.684 12.924 86 HH22 ARG 13 2HH1 ARG 13 5.205 8.366 13.251 87 H ALA 14 H ALA 14 0.685 4.062 5.846 88 HA ALA 14 HA ALA 14 1.523 4.748 3.227 89 HB1 ALA 14 1HB ALA 14 0.855 2.426 2.618 90 HB2 ALA 14 2HB ALA 14 0.077 2.274 4.189 91 HB3 ALA 14 3HB ALA 14 1.826 2.465 4.096 92 H VAL 15 H VAL 15 -1.698 3.888 4.500 93 HA VAL 15 HA VAL 15 -2.992 4.217 2.062 94 HB VAL 15 HB VAL 15 -3.804 3.075 4.261 95 HG11 VAL 15 1HG1 VAL 15 -4.983 5.840 4.622 96 HG12 VAL 15 2HG1 VAL 15 -3.737 5.102 5.647 97 HG13 VAL 15 3HG1 VAL 15 -5.349 4.393 5.562 98 HG21 VAL 15 3HG2 VAL 15 -5.200 2.823 2.410 99 HG22 VAL 15 1HG2 VAL 15 -5.460 4.554 2.225 100 HG23 VAL 15 2HG2 VAL 15 -6.244 3.687 3.531 101 H SER 16 H SER 16 -2.387 6.546 4.707 102 HA SER 16 HA SER 16 -4.031 8.587 3.714 103 HB2 SER 16 2HB SER 16 -2.320 10.098 4.947 104 HB3 SER 16 1HB SER 16 -3.280 8.977 5.883 105 HG SER 16 HG SER 16 -1.545 7.630 6.026 106 H MET 17 H MET 17 -0.623 7.885 3.152 107 HA MET 17 HA MET 17 -0.227 10.150 1.539 108 HB2 MET 17 2HB MET 17 1.351 7.561 1.565 109 HB3 MET 17 1HB MET 17 1.834 9.070 0.758 110 HG2 MET 17 2HG MET 17 1.447 10.141 3.171 111 HG3 MET 17 1HG MET 17 1.464 8.540 3.685 112 HE1 MET 17 3HE MET 17 3.193 6.890 3.869 113 HE2 MET 17 1HE MET 17 4.838 7.002 3.225 114 HE3 MET 17 2HE MET 17 3.479 6.777 2.142 115 H VAL 18 H VAL 18 -1.111 6.820 0.685 116 HA VAL 18 HA VAL 18 -1.116 7.408 -2.107 117 HB VAL 18 HB VAL 18 -2.277 5.269 -2.417 118 HG11 VAL 18 1HG1 VAL 18 0.205 5.402 -2.259 119 HG12 VAL 18 2HG1 VAL 18 -0.412 3.874 -1.638 120 HG13 VAL 18 3HG1 VAL 18 0.082 5.143 -0.518 121 HG21 VAL 18 3HG2 VAL 18 -2.339 3.814 -0.246 122 HG22 VAL 18 1HG2 VAL 18 -3.647 4.974 -0.498 123 HG23 VAL 18 2HG2 VAL 18 -2.313 5.357 0.588 124 H GLU 19 H GLU 19 -3.748 7.262 0.327 125 HA GLU 19 HA GLU 19 -5.834 7.624 -1.533 126 HB2 GLU 19 2HB GLU 19 -5.696 8.542 1.350 127 HB3 GLU 19 1HB GLU 19 -7.108 8.572 0.304 128 HG2 GLU 19 2HG GLU 19 -7.043 6.104 0.097 129 HG3 GLU 19 1HG GLU 19 -5.614 6.094 1.094 130 H LYS 20 H LYS 20 -3.737 9.842 0.176 131 HA LYS 20 HA LYS 20 -5.246 12.117 -0.835 132 HB2 LYS 20 2HB LYS 20 -2.877 12.107 1.050 133 HB3 LYS 20 1HB LYS 20 -4.008 13.424 0.765 134 HG2 LYS 20 2HG LYS 20 -4.801 10.704 1.877 135 HG3 LYS 20 1HG LYS 20 -4.572 12.150 2.841 136 HD2 LYS 20 2HD LYS 20 -6.656 12.850 2.391 137 HD3 LYS 20 1HD LYS 20 -6.391 12.791 0.662 138 HE2 LYS 20 2HE LYS 20 -8.251 11.270 1.273 139 HE3 LYS 20 1HE LYS 20 -6.889 10.399 0.649 140 HZ1 LYS 20 3HZ LYS 20 -6.215 10.251 3.185 141 HZ2 LYS 20 1HZ LYS 20 -7.336 9.142 2.573 142 HZ3 LYS 20 2HZ LYS 20 -7.870 10.501 3.398 143 H ASN 21 H ASN 21 -2.813 10.288 -2.000 144 HA ASN 21 HA ASN 21 -1.141 12.314 -3.158 145 HB2 ASN 21 2HB ASN 21 -0.205 10.102 -3.038 146 HB3 ASN 21 1HB ASN 21 -1.606 9.404 -3.827 147 HD21 ASN 21 1HD2 ASN 21 1.550 10.204 -4.458 148 HD22 ASN 21 2HD2 ASN 21 1.427 10.503 -6.123 149 H LYS 22 H LYS 22 -1.794 13.694 -4.622 150 HA LYS 22 HA LYS 22 -4.340 13.752 -5.687 151 HB2 LYS 22 2HB LYS 22 -3.755 15.697 -6.782 152 HB3 LYS 22 1HB LYS 22 -2.540 15.660 -5.523 153 HG2 LYS 22 2HG LYS 22 -2.138 14.671 -8.383 154 HG3 LYS 22 1HG LYS 22 -1.627 16.217 -7.775 155 HD2 LYS 22 2HD LYS 22 -0.654 13.734 -6.322 156 HD3 LYS 22 1HD LYS 22 0.104 14.250 -7.820 157 HE2 LYS 22 2HE LYS 22 0.103 16.637 -6.526 158 HE3 LYS 22 1HE LYS 22 0.100 15.537 -5.148 159 HZ1 LYS 22 3HZ LYS 22 2.302 15.853 -5.604 160 HZ2 LYS 22 1HZ LYS 22 2.131 15.796 -7.265 161 HZ3 LYS 22 2HZ LYS 22 2.022 14.374 -6.327 162 H ASP 23 H ASP 23 -1.402 12.527 -7.259 163 HA ASP 23 HA ASP 23 -2.634 12.057 -9.759 164 HB2 ASP 23 2HB ASP 23 -0.104 12.098 -9.171 165 HB3 ASP 23 1HB ASP 23 -0.343 10.433 -8.679 166 H ILE 24 H ILE 24 -2.053 10.050 -6.930 167 HA ILE 24 HA ILE 24 -3.300 7.703 -7.968 168 HB ILE 24 HB ILE 24 -2.831 8.562 -5.100 169 HG12 ILE 24 2HG1 ILE 24 -1.502 6.406 -6.754 170 HG13 ILE 24 1HG1 ILE 24 -0.829 8.020 -6.647 171 HG21 ILE 24 1HG2 ILE 24 -4.078 6.111 -6.307 172 HG22 ILE 24 2HG2 ILE 24 -4.559 7.019 -4.868 173 HG23 ILE 24 3HG2 ILE 24 -3.144 5.971 -4.814 174 HD11 ILE 24 3HD1 ILE 24 -0.081 6.101 -4.963 175 HD12 ILE 24 1HD1 ILE 24 -1.522 6.622 -4.095 176 HD13 ILE 24 2HD1 ILE 24 -0.225 7.773 -4.417 177 H ARG 25 H ARG 25 -4.512 10.405 -6.008 178 HA ARG 25 HA ARG 25 -7.118 9.424 -5.661 179 HB2 ARG 25 2HB ARG 25 -6.002 12.176 -5.847 180 HB3 ARG 25 1HB ARG 25 -7.732 11.947 -5.702 181 HG2 ARG 25 2HG ARG 25 -7.348 10.554 -3.665 182 HG3 ARG 25 1HG ARG 25 -5.619 10.853 -3.798 183 HD2 ARG 25 2HD ARG 25 -7.623 13.077 -3.627 184 HD3 ARG 25 1HD ARG 25 -6.935 12.357 -2.178 185 HE ARG 25 HE ARG 25 -4.759 13.023 -3.708 186 HH11 ARG 25 1HH2 ARG 25 -7.600 14.677 -2.572 187 HH12 ARG 25 2HH2 ARG 25 -6.879 16.198 -2.390 188 HH21 ARG 25 1HH1 ARG 25 -3.684 15.074 -3.429 189 HH22 ARG 25 2HH1 ARG 25 -4.589 16.429 -2.896 190 H SER 26 H SER 26 -5.678 11.268 -8.222 191 HA SER 26 HA SER 26 -7.995 11.550 -9.805 192 HB2 SER 26 2HB SER 26 -5.119 11.346 -10.587 193 HB3 SER 26 1HB SER 26 -6.392 12.072 -11.593 194 HG SER 26 HG SER 26 -5.166 12.910 -9.163 195 H LEU 27 H LEU 27 -5.484 9.027 -9.549 196 HA LEU 27 HA LEU 27 -6.551 7.286 -11.571 197 HB2 LEU 27 2HB LEU 27 -4.896 6.652 -9.106 198 HB3 LEU 27 1HB LEU 27 -5.295 5.509 -10.372 199 HG LEU 27 HG LEU 27 -3.811 8.089 -10.837 200 HD11 LEU 27 1HD1 LEU 27 -2.767 5.260 -10.551 201 HD12 LEU 27 2HD1 LEU 27 -2.424 6.630 -9.491 202 HD13 LEU 27 3HD1 LEU 27 -1.812 6.620 -11.138 203 HD21 LEU 27 3HD2 LEU 27 -3.696 5.758 -12.708 204 HD22 LEU 27 1HD2 LEU 27 -3.599 7.464 -13.064 205 HD23 LEU 27 2HD2 LEU 27 -5.163 6.726 -12.771 206 H LEU 28 H LEU 28 -7.030 7.676 -8.116 207 HA LEU 28 HA LEU 28 -8.866 5.503 -7.914 208 HB2 LEU 28 2HB LEU 28 -8.328 7.773 -5.961 209 HB3 LEU 28 1HB LEU 28 -9.325 6.389 -5.604 210 HG LEU 28 HG LEU 28 -6.372 6.273 -6.328 211 HD11 LEU 28 1HD1 LEU 28 -6.174 5.520 -3.934 212 HD12 LEU 28 2HD1 LEU 28 -7.836 6.024 -3.689 213 HD13 LEU 28 3HD1 LEU 28 -6.610 7.213 -4.121 214 HD21 LEU 28 3HD2 LEU 28 -7.768 4.199 -6.972 215 HD22 LEU 28 1HD2 LEU 28 -8.157 4.058 -5.252 216 HD23 LEU 28 2HD2 LEU 28 -6.499 3.931 -5.806 217 H GLN 29 H GLN 29 -9.202 8.294 -9.483 218 HA GLN 29 HA GLN 29 -10.952 9.576 -10.211 219 HB2 GLN 29 2HB GLN 29 -12.998 7.600 -9.321 220 HB3 GLN 29 1HB GLN 29 -12.821 8.377 -10.878 221 HG2 GLN 29 2HG GLN 29 -10.840 6.235 -9.998 222 HG3 GLN 29 1HG GLN 29 -12.388 5.848 -10.706 223 HE21 GLN 29 1HE2 GLN 29 -9.287 6.084 -11.595 224 HE22 GLN 29 2HE2 GLN 29 -9.497 6.604 -13.199 225 H CYS 30 H CYS 30 -10.045 9.865 -7.492 226 HA CYS 30 HA CYS 30 -12.122 9.927 -5.596 227 HB2 CYS 30 2HB CYS 30 -9.477 10.206 -5.356 228 HB3 CYS 30 1HB CYS 30 -9.913 11.908 -5.299 229 HG CYS 30 HG CYS 30 -10.353 11.358 -2.902 230 H ASP 31 H ASP 31 -13.572 10.885 -7.421 231 HA ASP 31 HA ASP 31 -13.586 13.692 -7.906 232 HB2 ASP 31 2HB ASP 31 -14.835 12.329 -9.377 233 HB3 ASP 31 1HB ASP 31 -15.774 11.618 -8.072 234 H ASP 32 H ASP 32 -15.586 11.757 -5.763 235 HA ASP 32 HA ASP 32 -16.884 12.284 -3.981 236 HB2 ASP 32 2HB ASP 32 -14.385 13.851 -3.491 237 HB3 ASP 32 1HB ASP 32 -15.750 14.144 -2.428 238 H GLY 33 H GLY 33 -17.890 13.440 -6.226 239 HA2 GLY 33 2HA GLY 33 -19.307 15.699 -5.119 240 HA3 GLY 33 1HA GLY 33 -18.229 16.121 -6.441 241 H ILE 34 H ILE 34 -18.624 15.031 -8.540 242 HA ILE 34 HA ILE 34 -21.324 15.191 -9.253 243 HB ILE 34 HB ILE 34 -19.703 15.630 -10.963 244 HG12 ILE 34 2HG1 ILE 34 -20.384 14.043 -12.761 245 HG13 ILE 34 1HG1 ILE 34 -21.078 12.991 -11.544 246 HG21 ILE 34 1HG2 ILE 34 -17.756 14.532 -10.643 247 HG22 ILE 34 2HG2 ILE 34 -18.457 13.433 -11.818 248 HG23 ILE 34 3HG2 ILE 34 -18.527 13.041 -10.108 249 HD11 ILE 34 3HD1 ILE 34 -22.514 15.032 -10.816 250 HD12 ILE 34 1HD1 ILE 34 -22.906 14.282 -12.355 251 HD13 ILE 34 2HD1 ILE 34 -21.975 15.772 -12.319 252 H THR 35 H THR 35 -19.327 12.518 -8.388 253 HA THR 35 HA THR 35 -21.599 10.684 -8.796 254 HB THR 35 HB THR 35 -19.889 9.587 -9.773 255 HG1 THR 35 1HG THR 35 -19.968 8.924 -7.081 256 HG21 THR 35 3HG2 THR 35 -17.475 9.750 -8.938 257 HG22 THR 35 1HG2 THR 35 -18.036 11.110 -7.958 258 HG23 THR 35 2HG2 THR 35 -18.204 11.145 -9.717 259 H GLY 36 H GLY 36 -21.307 12.744 -6.669 260 HA2 GLY 36 2HA GLY 36 -21.970 12.885 -4.478 261 HA3 GLY 36 1HA GLY 36 -22.139 11.124 -4.451 262 H LYS 37 H LYS 37 -21.035 11.801 -2.230 263 HA LYS 37 HA LYS 37 -18.123 11.748 -2.677 264 HB2 LYS 37 2HB LYS 37 -19.721 12.386 -0.179 265 HB3 LYS 37 1HB LYS 37 -17.989 12.216 -0.252 266 HG2 LYS 37 2HG LYS 37 -18.287 14.553 -0.495 267 HG3 LYS 37 1HG LYS 37 -17.972 13.974 -2.120 268 HD2 LYS 37 2HD LYS 37 -19.826 15.528 -2.216 269 HD3 LYS 37 1HD LYS 37 -20.444 13.946 -2.569 270 HE2 LYS 37 2HE LYS 37 -21.951 14.205 -0.906 271 HE3 LYS 37 1HE LYS 37 -20.644 14.139 0.258 272 HZ1 LYS 37 3HZ LYS 37 -20.686 16.387 0.536 273 HZ2 LYS 37 1HZ LYS 37 -22.253 16.251 -0.049 274 HZ3 LYS 37 2HZ LYS 37 -21.056 16.702 -1.094 275 H GLU 38 H GLU 38 -17.303 9.831 -2.687 276 HA GLU 38 HA GLU 38 -18.500 7.653 -1.136 277 HB2 GLU 38 2HB GLU 38 -17.287 7.648 -3.653 278 HB3 GLU 38 1HB GLU 38 -16.102 6.867 -2.572 279 HG2 GLU 38 2HG GLU 38 -19.012 6.108 -2.505 280 HG3 GLU 38 1HG GLU 38 -17.949 5.452 -3.737 281 H ARG 39 H ARG 39 -17.189 6.440 0.276 282 HA ARG 39 HA ARG 39 -15.053 8.097 1.484 283 HB2 ARG 39 2HB ARG 39 -16.605 5.830 2.728 284 HB3 ARG 39 1HB ARG 39 -15.302 6.724 3.519 285 HG2 ARG 39 2HG ARG 39 -17.910 7.899 2.508 286 HG3 ARG 39 1HG ARG 39 -17.499 7.595 4.196 287 HD2 ARG 39 2HD ARG 39 -15.449 9.174 3.799 288 HD3 ARG 39 1HD ARG 39 -16.232 9.559 2.296 289 HE ARG 39 HE ARG 39 -17.974 10.637 3.413 290 HH11 ARG 39 1HH2 ARG 39 -15.618 9.247 5.588 291 HH12 ARG 39 2HH2 ARG 39 -16.221 10.053 6.964 292 HH21 ARG 39 1HH1 ARG 39 -18.798 11.695 5.293 293 HH22 ARG 39 2HH1 ARG 39 -18.030 11.432 6.802 294 H LEU 40 H LEU 40 -13.094 7.482 1.528 295 HA LEU 40 HA LEU 40 -12.167 5.449 -0.205 296 HB2 LEU 40 2HB LEU 40 -10.783 6.930 2.052 297 HB3 LEU 40 1HB LEU 40 -9.965 6.011 0.813 298 HG LEU 40 HG LEU 40 -11.849 8.294 0.084 299 HD11 LEU 40 1HD1 LEU 40 -10.253 9.414 1.323 300 HD12 LEU 40 2HD1 LEU 40 -9.596 9.514 -0.311 301 HD13 LEU 40 3HD1 LEU 40 -8.955 8.325 0.841 302 HD21 LEU 40 3HD2 LEU 40 -9.518 7.031 -1.381 303 HD22 LEU 40 1HD2 LEU 40 -10.635 8.215 -2.037 304 HD23 LEU 40 2HD2 LEU 40 -11.197 6.577 -1.689 305 H LYS 41 H LYS 41 -11.614 3.355 0.208 306 HA LYS 41 HA LYS 41 -11.753 2.397 3.006 307 HB2 LYS 41 2HB LYS 41 -12.782 0.948 0.542 308 HB3 LYS 41 1HB LYS 41 -12.649 0.247 2.123 309 HG2 LYS 41 2HG LYS 41 -14.190 2.815 1.897 310 HG3 LYS 41 1HG LYS 41 -14.910 1.336 1.308 311 HD2 LYS 41 2HD LYS 41 -15.604 1.265 3.535 312 HD3 LYS 41 1HD LYS 41 -14.168 0.280 3.595 313 HE2 LYS 41 2HE LYS 41 -14.332 2.021 5.414 314 HE3 LYS 41 1HE LYS 41 -12.845 2.052 4.478 315 HZ1 LYS 41 3HZ LYS 41 -14.443 4.150 4.911 316 HZ2 LYS 41 1HZ LYS 41 -14.971 3.707 3.361 317 HZ3 LYS 41 2HZ LYS 41 -13.319 4.065 3.673 318 H ALA 42 H ALA 42 -10.213 0.985 3.636 319 HA ALA 42 HA ALA 42 -8.565 -0.106 1.579 320 HB1 ALA 42 1HB ALA 42 -7.463 1.735 3.695 321 HB2 ALA 42 2HB ALA 42 -7.224 1.765 1.956 322 HB3 ALA 42 3HB ALA 42 -6.454 0.509 2.917 323 H TYR 43 H TYR 43 -8.036 -2.147 1.977 324 HA TYR 43 HA TYR 43 -7.916 -3.221 4.664 325 HB2 TYR 43 2HB TYR 43 -9.703 -4.930 4.115 326 HB3 TYR 43 1HB TYR 43 -10.281 -3.293 4.409 327 HD1 TYR 43 2HD TYR 43 -10.947 -1.826 2.550 328 HD2 TYR 43 1HD TYR 43 -9.815 -5.906 1.893 329 HE1 TYR 43 2HE TYR 43 -11.941 -1.727 0.311 330 HE2 TYR 43 1HE TYR 43 -10.773 -5.849 -0.328 331 HH TYR 43 HH TYR 43 -12.673 -3.009 -1.393 332 H GLY 44 H GLY 44 -7.587 -5.704 4.524 333 HA2 GLY 44 2HA GLY 44 -5.338 -6.183 2.902 334 HA3 GLY 44 1HA GLY 44 -6.219 -7.320 3.919 335 H GLU 45 H GLU 45 -5.153 -7.811 1.430 336 HA GLU 45 HA GLU 45 -6.680 -7.858 -0.823 337 HB2 GLU 45 2HB GLU 45 -5.091 -9.946 0.474 338 HB3 GLU 45 1HB GLU 45 -5.659 -10.209 -1.177 339 HG2 GLU 45 2HG GLU 45 -4.457 -7.706 -1.375 340 HG3 GLU 45 1HG GLU 45 -3.498 -8.439 -0.102 341 H LEU 46 H LEU 46 -8.374 -8.960 -1.594 342 HA LEU 46 HA LEU 46 -9.946 -10.700 0.225 343 HB2 LEU 46 2HB LEU 46 -11.814 -10.147 -1.326 344 HB3 LEU 46 1HB LEU 46 -11.260 -8.778 -0.366 345 HG LEU 46 HG LEU 46 -10.149 -9.289 -3.161 346 HD11 LEU 46 1HD1 LEU 46 -11.813 -7.513 -3.871 347 HD12 LEU 46 2HD1 LEU 46 -12.727 -7.956 -2.432 348 HD13 LEU 46 3HD1 LEU 46 -12.400 -9.160 -3.683 349 HD21 LEU 46 3HD2 LEU 46 -10.505 -6.532 -2.386 350 HD22 LEU 46 1HD2 LEU 46 -9.009 -7.374 -2.754 351 HD23 LEU 46 2HD2 LEU 46 -9.631 -7.362 -1.106 352 H ILE 47 H ILE 47 -8.576 -10.272 -2.931 353 HA ILE 47 HA ILE 47 -9.289 -13.006 -3.746 354 HB ILE 47 HB ILE 47 -8.524 -12.197 -6.015 355 HG12 ILE 47 2HG1 ILE 47 -8.559 -9.495 -4.591 356 HG13 ILE 47 1HG1 ILE 47 -7.137 -10.296 -5.278 357 HG21 ILE 47 1HG2 ILE 47 -10.900 -12.302 -5.322 358 HG22 ILE 47 2HG2 ILE 47 -10.580 -11.008 -6.477 359 HG23 ILE 47 3HG2 ILE 47 -10.803 -10.624 -4.770 360 HD11 ILE 47 3HD1 ILE 47 -8.303 -10.243 -7.512 361 HD12 ILE 47 1HD1 ILE 47 -7.920 -8.646 -6.866 362 HD13 ILE 47 2HD1 ILE 47 -9.560 -9.276 -6.767 363 H THR 48 H THR 48 -7.053 -11.723 -1.980 364 HA THR 48 HA THR 48 -4.568 -11.752 -2.416 365 HB THR 48 HB THR 48 -5.341 -14.049 -0.667 366 HG1 THR 48 1HG THR 48 -6.904 -13.016 0.104 367 HG21 THR 48 3HG2 THR 48 -4.107 -12.082 0.830 368 HG22 THR 48 1HG2 THR 48 -3.344 -11.876 -0.755 369 HG23 THR 48 2HG2 THR 48 -3.316 -13.442 0.061 370 H ASN 49 H ASN 49 -5.501 -15.122 -1.962 371 HA ASN 49 HA ASN 49 -4.042 -15.843 -4.437 372 HB2 ASN 49 2HB ASN 49 -4.077 -17.131 -1.721 373 HB3 ASN 49 1HB ASN 49 -3.924 -18.151 -3.154 374 HD21 ASN 49 1HD2 ASN 49 -2.502 -15.199 -3.976 375 HD22 ASN 49 2HD2 ASN 49 -0.918 -15.584 -3.536 376 H ASP 50 H ASP 50 -5.932 -17.955 -2.458 377 HA ASP 50 HA ASP 50 -7.883 -18.198 -4.649 378 HB2 ASP 50 2HB ASP 50 -8.494 -20.339 -3.389 379 HB3 ASP 50 1HB ASP 50 -6.959 -20.327 -4.214 380 H LYS 51 H LYS 51 -8.211 -18.898 -1.162 381 HA LYS 51 HA LYS 51 -10.769 -17.458 -1.302 382 HB2 LYS 51 2HB LYS 51 -9.844 -19.759 0.397 383 HB3 LYS 51 1HB LYS 51 -11.382 -18.911 0.630 384 HG2 LYS 51 2HG LYS 51 -12.099 -19.463 -1.637 385 HG3 LYS 51 1HG LYS 51 -10.532 -20.149 -2.011 386 HD2 LYS 51 2HD LYS 51 -11.891 -21.999 -1.563 387 HD3 LYS 51 1HD LYS 51 -10.939 -21.811 -0.095 388 HE2 LYS 51 2HE LYS 51 -12.763 -20.856 1.097 389 HE3 LYS 51 1HE LYS 51 -13.672 -20.528 -0.365 390 HZ1 LYS 51 3HZ LYS 51 -13.036 -23.321 -0.084 391 HZ2 LYS 51 1HZ LYS 51 -14.529 -22.589 -0.345 392 HZ3 LYS 51 2HZ LYS 51 -13.927 -22.745 1.217 393 H TRP 52 H TRP 52 -9.458 -18.384 1.784 394 HA TRP 52 HA TRP 52 -9.638 -15.546 2.540 395 HB2 TRP 52 2HB TRP 52 -10.243 -17.908 4.298 396 HB3 TRP 52 1HB TRP 52 -10.608 -16.221 4.616 397 HD1 TRP 52 HD TRP 52 -11.844 -15.192 2.022 398 HE1 TRP 52 1HE TRP 52 -14.067 -16.117 1.090 399 HE3 TRP 52 3HE TRP 52 -11.988 -19.709 4.402 400 HZ2 TRP 52 2HZ TRP 52 -15.697 -18.454 1.340 401 HZ3 TRP 52 3HZ TRP 52 -13.883 -21.255 4.039 402 HH2 TRP 52 HH TRP 52 -15.738 -20.622 2.505 403 H THR 53 H THR 53 -8.044 -18.454 3.828 404 HA THR 53 HA THR 53 -6.601 -17.311 5.816 405 HB THR 53 HB THR 53 -4.945 -19.184 5.453 406 HG1 THR 53 1HG THR 53 -6.767 -19.914 3.398 407 HG21 THR 53 3HG2 THR 53 -7.935 -19.563 5.627 408 HG22 THR 53 1HG2 THR 53 -6.712 -19.751 6.879 409 HG23 THR 53 2HG2 THR 53 -6.865 -20.959 5.615 410 H ARG 54 H ARG 54 -5.715 -17.342 2.442 411 HA ARG 54 HA ARG 54 -3.101 -16.253 2.684 412 HB2 ARG 54 2HB ARG 54 -5.078 -16.270 0.399 413 HB3 ARG 54 1HB ARG 54 -3.456 -15.602 0.301 414 HG2 ARG 54 2HG ARG 54 -2.704 -17.681 -0.171 415 HG3 ARG 54 1HG ARG 54 -2.989 -18.049 1.518 416 HD2 ARG 54 2HD ARG 54 -5.403 -18.266 -0.217 417 HD3 ARG 54 1HD ARG 54 -4.045 -19.325 -0.564 418 HE ARG 54 HE ARG 54 -4.898 -19.230 2.259 419 HH11 ARG 54 1HH2 ARG 54 -5.083 -20.898 -0.815 420 HH12 ARG 54 2HH2 ARG 54 -5.432 -22.411 -0.090 421 HH21 ARG 54 1HH1 ARG 54 -5.384 -21.144 3.158 422 HH22 ARG 54 2HH1 ARG 54 -5.641 -22.569 2.247 423 H ASN 55 H ASN 55 -6.268 -14.869 2.560 424 HA ASN 55 HA ASN 55 -5.776 -12.275 1.787 425 HB2 ASN 55 2HB ASN 55 -7.873 -13.101 3.779 426 HB3 ASN 55 1HB ASN 55 -7.832 -11.653 2.774 427 HD21 ASN 55 1HD2 ASN 55 -10.093 -12.992 2.275 428 HD22 ASN 55 2HD2 ASN 55 -9.959 -13.953 0.878 429 H ARG 56 H ARG 56 -3.842 -13.246 3.963 430 HA ARG 56 HA ARG 56 -3.900 -12.180 6.321 431 HB2 ARG 56 2HB ARG 56 -1.554 -11.381 4.569 432 HB3 ARG 56 1HB ARG 56 -1.558 -11.631 6.292 433 HG2 ARG 56 2HG ARG 56 -2.354 -13.929 4.475 434 HG3 ARG 56 1HG ARG 56 -0.676 -13.533 4.749 435 HD2 ARG 56 2HD ARG 56 -0.665 -14.402 6.767 436 HD3 ARG 56 1HD ARG 56 -2.107 -13.541 7.285 437 HE ARG 56 HE ARG 56 -3.165 -15.502 5.743 438 HH11 ARG 56 1HH2 ARG 56 -0.757 -15.491 8.278 439 HH12 ARG 56 2HH2 ARG 56 -1.035 -17.125 8.710 440 HH21 ARG 56 1HH1 ARG 56 -3.529 -17.649 6.350 441 HH22 ARG 56 2HH1 ARG 56 -2.630 -18.352 7.635 442 HA PRO 57 HA PRO 57 -5.466 -8.114 5.362 443 HB2 PRO 57 2HB PRO 57 -5.974 -7.432 8.029 444 HB3 PRO 57 1HB PRO 57 -7.097 -8.215 6.907 445 HG2 PRO 57 2HG PRO 57 -5.381 -9.442 8.982 446 HG3 PRO 57 1HG PRO 57 -7.003 -9.898 8.433 447 HD2 PRO 57 2HD PRO 57 -4.875 -11.313 7.673 448 HD3 PRO 57 1HD PRO 57 -6.180 -11.073 6.512 449 H ILE 58 H ILE 58 -5.140 -5.873 6.425 450 HA ILE 58 HA ILE 58 -2.685 -4.974 5.731 451 HB ILE 58 HB ILE 58 -4.518 -3.801 7.830 452 HG12 ILE 58 2HG1 ILE 58 -4.255 -2.992 4.950 453 HG13 ILE 58 1HG1 ILE 58 -5.350 -4.303 5.361 454 HG21 ILE 58 1HG2 ILE 58 -2.017 -2.915 7.574 455 HG22 ILE 58 2HG2 ILE 58 -3.387 -1.827 7.660 456 HG23 ILE 58 3HG2 ILE 58 -2.684 -2.218 6.088 457 HD11 ILE 58 3HD1 ILE 58 -6.736 -2.896 6.599 458 HD12 ILE 58 1HD1 ILE 58 -6.226 -1.862 5.266 459 HD13 ILE 58 2HD1 ILE 58 -5.457 -1.701 6.849 460 H VAL 59 H VAL 59 -1.078 -6.389 6.512 461 HA VAL 59 HA VAL 59 -0.028 -5.593 9.108 462 HB VAL 59 HB VAL 59 0.681 -7.914 9.562 463 HG11 VAL 59 1HG1 VAL 59 -1.331 -7.200 10.675 464 HG12 VAL 59 2HG1 VAL 59 -1.622 -8.837 10.088 465 HG13 VAL 59 3HG1 VAL 59 -2.293 -7.461 9.220 466 HG21 VAL 59 3HG2 VAL 59 -1.047 -9.490 8.036 467 HG22 VAL 59 1HG2 VAL 59 0.687 -9.339 7.792 468 HG23 VAL 59 2HG2 VAL 59 -0.423 -8.338 6.863 469 H SER 60 H SER 60 2.339 -6.039 9.179 470 HA SER 60 HA SER 60 3.515 -6.001 6.468 471 HB2 SER 60 2HB SER 60 4.847 -5.236 9.084 472 HB3 SER 60 1HB SER 60 5.483 -5.033 7.467 473 HG SER 60 HG SER 60 2.992 -3.899 8.095 474 H THR 61 H THR 61 4.244 -8.022 5.872 475 HA THR 61 HA THR 61 4.540 -10.065 7.834 476 HB THR 61 HB THR 61 5.143 -11.536 6.085 477 HG1 THR 61 1HG THR 61 6.783 -9.797 5.401 478 HG21 THR 61 3HG2 THR 61 2.880 -10.355 5.842 479 HG22 THR 61 1HG2 THR 61 3.502 -11.159 4.404 480 HG23 THR 61 2HG2 THR 61 3.632 -9.412 4.560 481 H LYS 62 H LYS 62 5.888 -9.422 9.367 482 HA LYS 62 HA LYS 62 8.243 -8.003 9.092 483 HB2 LYS 62 2HB LYS 62 7.645 -10.054 11.238 484 HB3 LYS 62 1HB LYS 62 8.820 -8.746 11.296 485 HG2 LYS 62 2HG LYS 62 5.853 -8.251 10.902 486 HG3 LYS 62 1HG LYS 62 6.604 -8.303 12.480 487 HD2 LYS 62 2HD LYS 62 8.295 -6.551 11.499 488 HD3 LYS 62 1HD LYS 62 7.047 -6.312 10.276 489 HE2 LYS 62 2HE LYS 62 6.246 -4.805 11.765 490 HE3 LYS 62 1HE LYS 62 5.494 -6.217 12.520 491 HZ1 LYS 62 3HZ LYS 62 6.663 -4.981 14.169 492 HZ2 LYS 62 1HZ LYS 62 8.038 -4.882 13.192 493 HZ3 LYS 62 2HZ LYS 62 7.593 -6.379 13.864 494 H LYS 63 H LYS 63 9.894 -8.625 7.777 495 HA LYS 63 HA LYS 63 11.053 -11.275 8.354 496 HB2 LYS 63 2HB LYS 63 11.028 -9.910 5.658 497 HB3 LYS 63 1HB LYS 63 11.904 -11.381 6.058 498 HG2 LYS 63 2HG LYS 63 9.629 -12.352 6.824 499 HG3 LYS 63 1HG LYS 63 8.891 -11.016 5.962 500 HD2 LYS 63 2HD LYS 63 10.832 -12.975 4.698 501 HD3 LYS 63 1HD LYS 63 9.086 -13.126 4.602 502 HE2 LYS 63 2HE LYS 63 8.918 -10.956 3.449 503 HE3 LYS 63 1HE LYS 63 10.669 -10.740 3.617 504 HZ1 LYS 63 3HZ LYS 63 9.752 -11.653 1.438 505 HZ2 LYS 63 1HZ LYS 63 9.540 -13.101 2.270 506 HZ3 LYS 63 2HZ LYS 63 11.101 -12.452 2.116 507 H LEU 64 H LEU 64 13.090 -11.253 8.921 508 HA LEU 64 HA LEU 64 14.622 -8.762 8.562 509 HB2 LEU 64 2HB LEU 64 13.936 -8.874 10.886 510 HB3 LEU 64 1HB LEU 64 14.454 -10.547 10.995 511 HG LEU 64 HG LEU 64 16.803 -9.867 10.603 512 HD11 LEU 64 1HD1 LEU 64 15.769 -7.050 10.825 513 HD12 LEU 64 2HD1 LEU 64 16.266 -7.782 9.274 514 HD13 LEU 64 3HD1 LEU 64 17.426 -7.565 10.576 515 HD21 LEU 64 3HD2 LEU 64 15.416 -8.308 12.794 516 HD22 LEU 64 1HD2 LEU 64 17.131 -8.731 12.752 517 HD23 LEU 64 2HD2 LEU 64 15.907 -10.002 12.888 518 H ASP 65 H ASP 65 16.433 -9.072 7.433 519 HA ASP 65 HA ASP 65 17.448 -11.823 7.203 520 HB2 ASP 65 2HB ASP 65 16.758 -10.163 5.152 521 HB3 ASP 65 1HB ASP 65 18.401 -9.695 5.370 522 H LYS 66 H LYS 66 19.863 -11.212 6.134 523 HA LYS 66 HA LYS 66 21.589 -10.874 8.328 524 HB2 LYS 66 2HB LYS 66 23.366 -10.677 6.673 525 HB3 LYS 66 1HB LYS 66 22.280 -11.985 6.222 526 HG2 LYS 66 2HG LYS 66 21.416 -9.376 5.111 527 HG3 LYS 66 1HG LYS 66 23.017 -9.859 4.580 528 HD2 LYS 66 2HD LYS 66 22.283 -11.730 3.489 529 HD3 LYS 66 1HD LYS 66 20.860 -11.938 4.486 530 HE2 LYS 66 2HE LYS 66 19.990 -9.746 3.454 531 HE3 LYS 66 1HE LYS 66 21.312 -9.909 2.281 532 HZ1 LYS 66 3HZ LYS 66 18.972 -11.681 2.728 533 HZ2 LYS 66 1HZ LYS 66 20.316 -12.208 1.825 534 HZ3 LYS 66 2HZ LYS 66 19.429 -10.860 1.341 535 H GLU 67 H GLU 67 19.737 -8.621 6.651 536 HA GLU 67 HA GLU 67 21.444 -6.406 6.522 537 HB2 GLU 67 2HB GLU 67 18.440 -6.573 6.639 538 HB3 GLU 67 1HB GLU 67 19.301 -5.061 6.409 539 HG2 GLU 67 2HG GLU 67 20.459 -6.095 4.376 540 HG3 GLU 67 1HG GLU 67 19.483 -7.507 4.637 541 H GLY 68 H GLY 68 19.346 -7.564 9.039 542 HA2 GLY 68 2HA GLY 68 19.631 -7.156 11.370 543 HA3 GLY 68 1HA GLY 68 20.621 -5.750 10.956 544 H ARG 69 H ARG 69 18.253 -5.525 8.842 545 HA ARG 69 HA ARG 69 16.584 -3.808 10.568 546 HB2 ARG 69 2HB ARG 69 16.890 -3.744 7.548 547 HB3 ARG 69 1HB ARG 69 16.094 -2.539 8.565 548 HG2 ARG 69 2HG ARG 69 19.036 -3.246 8.862 549 HG3 ARG 69 1HG ARG 69 18.482 -1.973 7.802 550 HD2 ARG 69 2HD ARG 69 17.637 -2.048 10.684 551 HD3 ARG 69 1HD ARG 69 19.185 -1.399 10.191 552 HE ARG 69 HE ARG 69 16.585 -0.357 9.122 553 HH11 ARG 69 1HH2 ARG 69 19.839 0.182 10.344 554 HH12 ARG 69 2HH2 ARG 69 19.746 1.880 10.134 555 HH21 ARG 69 1HH1 ARG 69 16.534 2.004 8.814 556 HH22 ARG 69 2HH1 ARG 69 17.913 2.861 9.281 557 H THR 70 H THR 70 14.568 -4.636 10.938 558 HA THR 70 HA THR 70 13.606 -6.936 9.544 559 HB THR 70 HB THR 70 12.039 -5.078 11.368 560 HG1 THR 70 1HG THR 70 13.856 -5.836 12.427 561 HG21 THR 70 3HG2 THR 70 11.578 -8.032 11.007 562 HG22 THR 70 1HG2 THR 70 10.878 -6.885 9.859 563 HG23 THR 70 2HG2 THR 70 10.467 -6.777 11.556 564 H HIS 71 H HIS 71 12.424 -7.026 7.747 565 HA HIS 71 HA HIS 71 11.827 -4.528 6.356 566 HB2 HIS 71 2HB HIS 71 13.033 -6.583 5.351 567 HB3 HIS 71 1HB HIS 71 11.445 -7.319 5.324 568 HD1 HIS 71 1HD HIS 71 13.635 -5.299 3.310 569 HD2 HIS 71 2HD HIS 71 9.472 -5.526 3.713 570 HE1 HIS 71 1HE HIS 71 12.624 -4.272 1.224 571 HE2 HIS 71 2HE HIS 71 10.123 -4.463 1.427 572 H HIS 72 H HIS 72 9.817 -3.744 6.193 573 HA HIS 72 HA HIS 72 7.553 -5.307 7.174 574 HB2 HIS 72 2HB HIS 72 7.973 -2.395 6.489 575 HB3 HIS 72 1HB HIS 72 6.369 -3.065 6.537 576 HD1 HIS 72 1HD HIS 72 5.260 -3.055 8.747 577 HD2 HIS 72 2HD HIS 72 9.423 -3.029 9.067 578 HE1 HIS 72 1HE HIS 72 5.802 -2.835 11.218 579 HE2 HIS 72 2HE HIS 72 8.331 -2.871 11.435 580 H TYR 73 H TYR 73 6.648 -6.563 5.670 581 HA TYR 73 HA TYR 73 6.396 -5.526 2.922 582 HB2 TYR 73 2HB TYR 73 6.237 -8.305 4.032 583 HB3 TYR 73 1HB TYR 73 5.769 -7.937 2.384 584 HD1 TYR 73 2HD TYR 73 7.468 -6.946 0.807 585 HD2 TYR 73 1HD TYR 73 8.570 -8.540 4.642 586 HE1 TYR 73 2HE TYR 73 9.808 -7.082 0.069 587 HE2 TYR 73 1HE TYR 73 10.937 -8.662 3.892 588 HH TYR 73 HH TYR 73 12.306 -7.221 1.945 589 H MET 74 H MET 74 4.626 -4.247 3.204 590 HA MET 74 HA MET 74 2.219 -5.575 4.249 591 HB2 MET 74 2HB MET 74 3.042 -3.925 5.820 592 HB3 MET 74 1HB MET 74 3.053 -2.672 4.603 593 HG2 MET 74 2HG MET 74 0.595 -2.922 4.325 594 HG3 MET 74 1HG MET 74 0.593 -4.209 5.528 595 HE1 MET 74 3HE MET 74 1.425 -0.777 4.539 596 HE2 MET 74 1HE MET 74 2.703 -0.614 5.758 597 HE3 MET 74 2HE MET 74 1.184 0.247 5.940 598 H ARG 75 H ARG 75 0.623 -5.723 2.880 599 HA ARG 75 HA ARG 75 0.351 -3.704 0.800 600 HB2 ARG 75 2HB ARG 75 -0.250 -5.500 -0.837 601 HB3 ARG 75 1HB ARG 75 1.440 -5.502 -0.363 602 HG2 ARG 75 2HG ARG 75 0.988 -7.740 -0.091 603 HG3 ARG 75 1HG ARG 75 0.569 -7.197 1.528 604 HD2 ARG 75 2HD ARG 75 -1.783 -6.797 0.045 605 HD3 ARG 75 1HD ARG 75 -1.138 -8.287 -0.580 606 HE ARG 75 HE ARG 75 -1.919 -7.756 2.206 607 HH11 ARG 75 1HH2 ARG 75 -0.972 -9.959 -0.326 608 HH12 ARG 75 2HH2 ARG 75 -1.217 -11.379 0.596 609 HH21 ARG 75 1HH1 ARG 75 -2.341 -9.727 3.454 610 HH22 ARG 75 2HH1 ARG 75 -1.989 -11.228 2.723 611 H PHE 76 H PHE 76 -1.745 -3.267 0.230 612 HA PHE 76 HA PHE 76 -3.883 -4.849 1.330 613 HB2 PHE 76 2HB PHE 76 -4.917 -2.917 2.539 614 HB3 PHE 76 1HB PHE 76 -3.424 -3.522 3.257 615 HD1 PHE 76 1HD PHE 76 -4.985 -0.725 1.362 616 HD2 PHE 76 2HD PHE 76 -1.385 -2.188 3.237 617 HE1 PHE 76 1HE PHE 76 -3.975 1.546 1.259 618 HE2 PHE 76 2HE PHE 76 -0.411 0.074 3.123 619 HZ PHE 76 HZ PHE 76 -1.714 1.938 2.131 620 H HIS 77 H HIS 77 -6.023 -3.990 0.742 621 HA HIS 77 HA HIS 77 -5.879 -2.859 -1.951 622 HB2 HIS 77 2HB HIS 77 -7.742 -4.780 -0.600 623 HB3 HIS 77 1HB HIS 77 -8.375 -3.758 -1.864 624 HD1 HIS 77 1HD HIS 77 -5.484 -6.191 -1.342 625 HD2 HIS 77 2HD HIS 77 -7.796 -4.619 -4.441 626 HE1 HIS 77 1HE HIS 77 -4.813 -7.435 -3.451 627 HE2 HIS 77 2HE HIS 77 -6.190 -6.492 -5.345 628 H VAL 78 H VAL 78 -7.015 -1.091 -2.465 629 HA VAL 78 HA VAL 78 -8.461 0.256 -0.306 630 HB VAL 78 HB VAL 78 -6.388 1.426 -0.447 631 HG11 VAL 78 1HG1 VAL 78 -5.547 0.508 -2.536 632 HG12 VAL 78 2HG1 VAL 78 -5.512 2.279 -2.612 633 HG13 VAL 78 3HG1 VAL 78 -6.784 1.389 -3.439 634 HG21 VAL 78 3HG2 VAL 78 -7.045 3.644 -1.154 635 HG22 VAL 78 1HG2 VAL 78 -8.509 2.880 -0.550 636 HG23 VAL 78 2HG2 VAL 78 -8.220 3.011 -2.284 637 H GLU 79 H GLU 79 -10.286 1.413 -0.967 638 HA GLU 79 HA GLU 79 -11.168 0.705 -3.684 639 HB2 GLU 79 2HB GLU 79 -12.794 1.429 -1.253 640 HB3 GLU 79 1HB GLU 79 -13.461 1.228 -2.848 641 HG2 GLU 79 2HG GLU 79 -12.705 -0.995 -3.046 642 HG3 GLU 79 1HG GLU 79 -11.808 -0.985 -1.557 643 H SER 80 H SER 80 -11.316 2.088 -5.154 644 HA SER 80 HA SER 80 -11.010 4.941 -4.592 645 HB2 SER 80 2HB SER 80 -11.492 4.019 -7.363 646 HB3 SER 80 1HB SER 80 -10.295 5.098 -6.703 647 HG SER 80 HG SER 80 -10.315 2.265 -6.553 648 H LYS 81 H LYS 81 -12.490 6.226 -6.235 649 HA LYS 81 HA LYS 81 -15.104 5.902 -5.167 650 HB2 LYS 81 2HB LYS 81 -14.279 7.454 -7.633 651 HB3 LYS 81 1HB LYS 81 -15.765 7.627 -6.717 652 HG2 LYS 81 2HG LYS 81 -12.969 8.191 -5.736 653 HG3 LYS 81 1HG LYS 81 -14.234 9.390 -6.051 654 HD2 LYS 81 2HD LYS 81 -15.552 7.865 -4.314 655 HD3 LYS 81 1HD LYS 81 -13.940 7.466 -3.758 656 HE2 LYS 81 2HE LYS 81 -13.809 10.269 -4.034 657 HE3 LYS 81 1HE LYS 81 -15.449 9.937 -3.492 658 HZ1 LYS 81 3HZ LYS 81 -13.690 10.369 -1.860 659 HZ2 LYS 81 1HZ LYS 81 -13.162 8.766 -1.940 660 HZ3 LYS 81 2HZ LYS 81 -14.775 9.216 -1.467 661 H LYS 82 H LYS 82 -13.532 4.840 -8.098 662 HA LYS 82 HA LYS 82 -16.058 3.505 -8.953 663 HB2 LYS 82 2HB LYS 82 -13.810 4.434 -10.732 664 HB3 LYS 82 1HB LYS 82 -15.405 3.871 -11.209 665 HG2 LYS 82 2HG LYS 82 -14.915 6.364 -9.534 666 HG3 LYS 82 1HG LYS 82 -15.288 6.363 -11.247 667 HD2 LYS 82 2HD LYS 82 -17.433 5.298 -10.844 668 HD3 LYS 82 1HD LYS 82 -17.112 5.145 -9.123 669 HE2 LYS 82 2HE LYS 82 -16.990 7.600 -8.932 670 HE3 LYS 82 1HE LYS 82 -17.357 7.770 -10.643 671 HZ1 LYS 82 3HZ LYS 82 -19.181 7.718 -8.696 672 HZ2 LYS 82 1HZ LYS 82 -19.186 6.095 -9.091 673 HZ3 LYS 82 2HZ LYS 82 -19.529 7.232 -10.278 674 H LYS 83 H LYS 83 -12.770 2.946 -8.140 675 HA LYS 83 HA LYS 83 -13.036 0.111 -8.930 676 HB2 LYS 83 2HB LYS 83 -10.628 1.847 -9.596 677 HB3 LYS 83 1HB LYS 83 -10.766 0.100 -9.792 678 HG2 LYS 83 2HG LYS 83 -12.673 2.047 -11.138 679 HG3 LYS 83 1HG LYS 83 -11.241 1.389 -11.913 680 HD2 LYS 83 2HD LYS 83 -12.024 -0.770 -11.937 681 HD3 LYS 83 1HD LYS 83 -13.230 -0.537 -10.683 682 HE2 LYS 83 2HE LYS 83 -13.545 1.148 -13.112 683 HE3 LYS 83 1HE LYS 83 -13.766 -0.591 -13.325 684 HZ1 LYS 83 3HZ LYS 83 -15.804 0.802 -12.568 685 HZ2 LYS 83 1HZ LYS 83 -15.065 0.785 -11.052 686 HZ3 LYS 83 2HZ LYS 83 -15.481 -0.653 -11.790 687 H ILE 84 H ILE 84 -11.480 -1.302 -8.002 688 HA ILE 84 HA ILE 84 -10.776 -0.478 -5.259 689 HB ILE 84 HB ILE 84 -10.906 -3.249 -6.492 690 HG12 ILE 84 2HG1 ILE 84 -12.912 -1.969 -4.614 691 HG13 ILE 84 1HG1 ILE 84 -13.128 -1.949 -6.366 692 HG21 ILE 84 1HG2 ILE 84 -9.442 -3.077 -4.507 693 HG22 ILE 84 2HG2 ILE 84 -10.920 -3.959 -4.113 694 HG23 ILE 84 3HG2 ILE 84 -10.744 -2.283 -3.626 695 HD11 ILE 84 3HD1 ILE 84 -14.220 -3.858 -5.034 696 HD12 ILE 84 1HD1 ILE 84 -12.579 -4.518 -4.911 697 HD13 ILE 84 2HD1 ILE 84 -13.310 -4.239 -6.497 698 H ALA 85 H ALA 85 -8.641 -0.217 -4.794 699 HA ALA 85 HA ALA 85 -6.701 -1.046 -6.862 700 HB1 ALA 85 1HB ALA 85 -5.975 1.067 -6.913 701 HB2 ALA 85 2HB ALA 85 -5.617 1.005 -5.196 702 HB3 ALA 85 3HB ALA 85 -7.213 1.518 -5.747 703 H LEU 86 H LEU 86 -4.597 -1.546 -6.174 704 HA LEU 86 HA LEU 86 -4.509 -2.834 -3.524 705 HB2 LEU 86 2HB LEU 86 -4.310 -4.521 -5.074 706 HB3 LEU 86 1HB LEU 86 -3.363 -3.557 -6.192 707 HG LEU 86 HG LEU 86 -1.461 -3.603 -4.514 708 HD11 LEU 86 1HD1 LEU 86 -2.138 -4.086 -2.431 709 HD12 LEU 86 2HD1 LEU 86 -1.909 -5.751 -2.937 710 HD13 LEU 86 3HD1 LEU 86 -3.529 -5.044 -2.944 711 HD21 LEU 86 3HD2 LEU 86 -0.748 -5.833 -5.039 712 HD22 LEU 86 1HD2 LEU 86 -1.660 -5.251 -6.421 713 HD23 LEU 86 2HD2 LEU 86 -2.389 -6.392 -5.281 714 H VAL 87 H VAL 87 -3.044 -2.112 -2.090 715 HA VAL 87 HA VAL 87 -0.909 -0.320 -3.081 716 HB VAL 87 HB VAL 87 -2.428 -0.301 -0.465 717 HG11 VAL 87 1HG1 VAL 87 -0.980 1.834 -0.142 718 HG12 VAL 87 2HG1 VAL 87 0.109 1.077 -1.307 719 HG13 VAL 87 3HG1 VAL 87 -0.275 0.257 0.210 720 HG21 VAL 87 3HG2 VAL 87 -2.344 2.256 -1.758 721 HG22 VAL 87 1HG2 VAL 87 -3.739 1.230 -1.474 722 HG23 VAL 87 2HG2 VAL 87 -2.831 1.077 -2.974 723 H HIS 88 H HIS 88 1.087 -0.982 -2.689 724 HA HIS 88 HA HIS 88 1.546 -3.068 -0.639 725 HB2 HIS 88 2HB HIS 88 1.661 -4.228 -2.721 726 HB3 HIS 88 1HB HIS 88 2.535 -2.903 -3.472 727 HD1 HIS 88 1HD HIS 88 4.223 -4.894 -4.117 728 HD2 HIS 88 2HD HIS 88 4.151 -3.863 -0.060 729 HE1 HIS 88 1HE HIS 88 6.354 -5.840 -3.067 730 HE2 HIS 88 2HE HIS 88 6.338 -5.212 -0.643 731 H LEU 89 H LEU 89 2.829 -2.285 0.901 732 HA LEU 89 HA LEU 89 4.837 -0.265 0.154 733 HB2 LEU 89 2HB LEU 89 2.940 0.741 1.429 734 HB3 LEU 89 1HB LEU 89 3.282 -0.364 2.744 735 HG LEU 89 HG LEU 89 5.605 1.232 1.719 736 HD11 LEU 89 1HD1 LEU 89 5.003 3.261 2.575 737 HD12 LEU 89 2HD1 LEU 89 3.953 2.566 3.799 738 HD13 LEU 89 3HD1 LEU 89 3.393 2.699 2.131 739 HD21 LEU 89 3HD2 LEU 89 5.293 -0.527 3.808 740 HD22 LEU 89 1HD2 LEU 89 4.964 1.005 4.613 741 HD23 LEU 89 2HD2 LEU 89 6.481 0.758 3.773 742 H GLU 90 H GLU 90 6.829 -0.557 0.766 743 HA GLU 90 HA GLU 90 7.325 -2.595 2.770 744 HB2 GLU 90 2HB GLU 90 8.886 -2.015 0.289 745 HB3 GLU 90 1HB GLU 90 9.568 -2.898 1.651 746 HG2 GLU 90 2HG GLU 90 7.799 -4.549 1.539 747 HG3 GLU 90 1HG GLU 90 6.959 -3.694 0.277 748 H ALA 91 H ALA 91 8.450 -2.045 4.454 749 HA ALA 91 HA ALA 91 10.159 0.314 4.395 750 HB1 ALA 91 1HB ALA 91 9.243 1.142 6.523 751 HB2 ALA 91 2HB ALA 91 8.097 -0.184 6.567 752 HB3 ALA 91 3HB ALA 91 7.945 1.060 5.335 753 H LYS 92 H LYS 92 11.748 0.234 6.151 754 HA LYS 92 HA LYS 92 11.934 -2.479 7.311 755 HB2 LYS 92 2HB LYS 92 14.371 -2.376 7.233 756 HB3 LYS 92 1HB LYS 92 13.670 -2.318 5.621 757 HG2 LYS 92 2HG LYS 92 13.921 0.172 5.637 758 HG3 LYS 92 1HG LYS 92 14.712 0.062 7.215 759 HD2 LYS 92 2HD LYS 92 16.459 -1.373 6.264 760 HD3 LYS 92 1HD LYS 92 15.690 -1.285 4.681 761 HE2 LYS 92 2HE LYS 92 16.029 1.184 4.682 762 HE3 LYS 92 1HE LYS 92 16.842 1.046 6.239 763 HZ1 LYS 92 3HZ LYS 92 18.693 0.182 5.294 764 HZ2 LYS 92 1HZ LYS 92 18.140 0.902 3.899 765 HZ3 LYS 92 2HZ LYS 92 17.883 -0.739 4.187 766 H GLU 93 H GLU 93 12.324 -2.713 9.388 767 HA GLU 93 HA GLU 93 12.011 -0.419 11.113 768 HB2 GLU 93 2HB GLU 93 12.686 -3.291 11.789 769 HB3 GLU 93 1HB GLU 93 12.238 -2.048 12.938 770 HG2 GLU 93 2HG GLU 93 9.992 -1.825 11.835 771 HG3 GLU 93 1HG GLU 93 10.481 -3.085 10.696 772 H SER 94 H SER 94 13.643 0.807 11.924 773 HA SER 94 HA SER 94 16.399 0.030 11.569 774 HB2 SER 94 2HB SER 94 15.143 2.190 13.257 775 HB3 SER 94 1HB SER 94 16.871 1.893 13.119 776 HG SER 94 HG SER 94 15.127 2.380 10.909 777 H LYS 95 H LYS 95 17.750 0.105 13.699 778 HA LYS 95 HA LYS 95 17.133 -2.322 14.913 779 HB2 LYS 95 2HB LYS 95 19.393 -0.883 14.720 780 HB3 LYS 95 1HB LYS 95 18.921 -0.432 16.346 781 HG2 LYS 95 2HG LYS 95 20.190 -2.333 16.705 782 HG3 LYS 95 1HG LYS 95 18.553 -2.988 16.741 783 HD2 LYS 95 2HD LYS 95 19.115 -3.026 14.047 784 HD3 LYS 95 1HD LYS 95 20.696 -3.385 14.727 785 HE2 LYS 95 2HE LYS 95 18.270 -4.845 15.742 786 HE3 LYS 95 1HE LYS 95 19.025 -5.342 14.231 787 HZ1 LYS 95 3HZ LYS 95 19.806 -6.180 16.665 788 HZ2 LYS 95 1HZ LYS 95 20.915 -4.929 16.418 789 HZ3 LYS 95 2HZ LYS 95 20.757 -6.214 15.303 790 H GLN 96 H GLN 96 16.773 0.977 16.135 791 HA GLN 96 HA GLN 96 14.936 -0.039 18.243 792 HB2 GLN 96 2HB GLN 96 16.684 2.324 18.827 793 HB3 GLN 96 1HB GLN 96 15.902 1.204 19.928 794 HG2 GLN 96 2HG GLN 96 18.037 0.451 20.076 795 HG3 GLN 96 1HG GLN 96 17.516 -0.585 18.754 796 HE21 GLN 96 1HE2 GLN 96 20.141 -0.321 18.672 797 HE22 GLN 96 2HE2 GLN 96 20.665 0.865 17.578 798 H ASN 97 H ASN 97 15.040 1.830 15.584 799 HA ASN 97 HA ASN 97 13.808 4.220 16.475 800 HB2 ASN 97 2HB ASN 97 14.913 3.908 14.204 801 HB3 ASN 97 1HB ASN 97 13.405 3.084 13.731 802 HD21 ASN 97 1HD2 ASN 97 13.350 4.995 12.128 803 HD22 ASN 97 2HD2 ASN 97 12.621 6.418 12.667 804 H TYR 98 H TYR 98 11.695 4.900 16.427 805 HA TYR 98 HA TYR 98 9.815 3.065 17.412 806 HB2 TYR 98 2HB TYR 98 9.164 5.726 16.139 807 HB3 TYR 98 1HB TYR 98 8.244 4.852 17.347 808 HD1 TYR 98 2HD TYR 98 9.135 4.552 19.697 809 HD2 TYR 98 1HD TYR 98 11.123 6.993 16.766 810 HE1 TYR 98 2HE TYR 98 10.444 5.618 21.476 811 HE2 TYR 98 1HE TYR 98 12.444 8.063 18.552 812 HH TYR 98 HH TYR 98 12.963 6.891 21.394 813 H GLN 99 H GLN 99 10.056 4.628 14.227 814 HA GLN 99 HA GLN 99 8.187 2.626 13.151 815 HB2 GLN 99 2HB GLN 99 8.569 5.536 12.505 816 HB3 GLN 99 1HB GLN 99 7.796 4.440 11.366 817 HG2 GLN 99 2HG GLN 99 6.845 4.382 14.206 818 HG3 GLN 99 1HG GLN 99 6.335 5.727 13.208 819 HE21 GLN 99 1HE2 GLN 99 6.016 2.245 13.673 820 HE22 GLN 99 2HE2 GLN 99 4.822 2.046 12.495 821 HA PRO 100 HA PRO 100 11.446 1.296 10.479 822 HB2 PRO 100 2HB PRO 100 10.045 0.144 8.514 823 HB3 PRO 100 1HB PRO 100 10.090 -0.545 10.148 824 HG2 PRO 100 2HG PRO 100 7.987 1.133 8.880 825 HG3 PRO 100 1HG PRO 100 7.836 -0.342 9.877 826 HD2 PRO 100 2HD PRO 100 7.450 2.156 10.890 827 HD3 PRO 100 1HD PRO 100 8.073 0.796 11.862 828 H ASP 101 H ASP 101 12.386 1.683 8.419 829 HA ASP 101 HA ASP 101 11.802 4.307 7.300 830 HB2 ASP 101 2HB ASP 101 13.763 2.295 6.203 831 HB3 ASP 101 1HB ASP 101 13.805 4.040 6.028 832 H PHE 102 H PHE 102 10.554 4.633 5.482 833 HA PHE 102 HA PHE 102 9.302 2.391 4.204 834 HB2 PHE 102 2HB PHE 102 9.404 5.316 3.302 835 HB3 PHE 102 1HB PHE 102 8.429 4.053 2.600 836 HD1 PHE 102 1HD PHE 102 6.710 2.853 4.001 837 HD2 PHE 102 2HD PHE 102 8.693 6.441 5.310 838 HE1 PHE 102 1HE PHE 102 4.924 3.246 5.669 839 HE2 PHE 102 2HE PHE 102 6.915 6.824 6.967 840 HZ PHE 102 HZ PHE 102 5.020 5.232 7.152 841 H ILE 103 H ILE 103 10.023 1.255 2.466 842 HA ILE 103 HA ILE 103 12.521 2.191 1.206 843 HB ILE 103 HB ILE 103 11.308 -0.579 1.307 844 HG12 ILE 103 2HG1 ILE 103 13.836 0.455 2.632 845 HG13 ILE 103 1HG1 ILE 103 12.294 0.336 3.485 846 HG21 ILE 103 1HG2 ILE 103 13.570 -1.219 0.411 847 HG22 ILE 103 2HG2 ILE 103 13.898 0.484 0.127 848 HG23 ILE 103 3HG2 ILE 103 12.584 -0.322 -0.735 849 HD11 ILE 103 3HD1 ILE 103 14.163 -1.674 3.300 850 HD12 ILE 103 1HD1 ILE 103 13.028 -2.118 2.037 851 HD13 ILE 103 2HD1 ILE 103 12.460 -1.922 3.689 852 H ASN 104 H ASN 104 9.620 0.338 0.397 853 HA ASN 104 HA ASN 104 9.391 1.794 -2.161 854 HB2 ASN 104 2HB ASN 104 10.604 -0.202 -2.716 855 HB3 ASN 104 1HB ASN 104 9.504 -1.199 -1.771 856 HD21 ASN 104 1HD2 ASN 104 10.136 -0.160 -4.936 857 HD22 ASN 104 2HD2 ASN 104 8.625 -0.465 -5.603 858 H MET 105 H MET 105 7.274 2.127 -2.781 859 HA MET 105 HA MET 105 5.212 0.516 -1.727 860 HB2 MET 105 2HB MET 105 4.310 1.753 -0.080 861 HB3 MET 105 1HB MET 105 5.858 2.588 -0.023 862 HG2 MET 105 2HG MET 105 4.220 4.304 -0.171 863 HG3 MET 105 1HG MET 105 4.856 4.165 -1.799 864 HE1 MET 105 3HE MET 105 2.228 3.649 0.697 865 HE2 MET 105 1HE MET 105 2.033 1.951 0.237 866 HE3 MET 105 2HE MET 105 0.768 3.108 -0.109 867 H TYR 106 H TYR 106 3.526 0.424 -3.074 868 HA TYR 106 HA TYR 106 3.083 2.610 -4.952 869 HB2 TYR 106 2HB TYR 106 3.156 1.152 -6.927 870 HB3 TYR 106 1HB TYR 106 4.709 1.222 -6.082 871 HD1 TYR 106 2HD TYR 106 5.579 -0.684 -4.828 872 HD2 TYR 106 1HD TYR 106 1.799 -0.925 -6.883 873 HE1 TYR 106 2HE TYR 106 5.591 -3.129 -4.582 874 HE2 TYR 106 1HE TYR 106 1.816 -3.355 -6.636 875 HH TYR 106 HH TYR 106 2.935 -5.125 -5.898 876 H VAL 107 H VAL 107 1.219 2.397 -6.240 877 HA VAL 107 HA VAL 107 -0.928 0.859 -4.905 878 HB VAL 107 HB VAL 107 -0.952 3.549 -6.293 879 HG11 VAL 107 1HG1 VAL 107 -3.239 3.697 -6.012 880 HG12 VAL 107 2HG1 VAL 107 -3.315 2.347 -4.883 881 HG13 VAL 107 3HG1 VAL 107 -3.048 2.048 -6.604 882 HG21 VAL 107 3HG2 VAL 107 -0.196 4.049 -4.176 883 HG22 VAL 107 1HG2 VAL 107 -0.965 2.640 -3.442 884 HG23 VAL 107 2HG2 VAL 107 -1.936 4.043 -3.873 885 H ASP 108 H ASP 108 -1.730 -0.684 -6.159 886 HA ASP 108 HA ASP 108 -1.336 -0.573 -9.078 887 HB2 ASP 108 2HB ASP 108 -0.664 -2.681 -7.596 888 HB3 ASP 108 1HB ASP 108 -2.371 -2.926 -7.582 889 H VAL 109 H VAL 109 -2.959 0.267 -10.148 890 HA VAL 109 HA VAL 109 -5.677 -0.017 -9.066 891 HB VAL 109 HB VAL 109 -4.861 2.010 -11.111 892 HG11 VAL 109 1HG1 VAL 109 -6.679 3.304 -10.002 893 HG12 VAL 109 2HG1 VAL 109 -6.970 1.954 -8.911 894 HG13 VAL 109 3HG1 VAL 109 -7.262 1.773 -10.643 895 HG21 VAL 109 3HG2 VAL 109 -4.595 3.547 -9.038 896 HG22 VAL 109 1HG2 VAL 109 -3.247 2.490 -9.450 897 HG23 VAL 109 2HG2 VAL 109 -4.343 2.052 -8.136 898 HA PRO 110 HA PRO 110 -6.485 -2.346 -12.867 899 HB2 PRO 110 2HB PRO 110 -9.125 -2.729 -12.549 900 HB3 PRO 110 1HB PRO 110 -7.942 -3.610 -11.567 901 HG2 PRO 110 2HG PRO 110 -9.498 -1.167 -10.846 902 HG3 PRO 110 1HG PRO 110 -9.217 -2.640 -9.890 903 HD2 PRO 110 2HD PRO 110 -7.774 -0.416 -9.454 904 HD3 PRO 110 1HD PRO 110 -7.062 -2.034 -9.290 905 H GLY 111 H GLY 111 -7.338 -1.793 -14.898 906 HA2 GLY 111 2HA GLY 111 -8.167 -0.449 -16.599 907 HA3 GLY 111 1HA GLY 111 -9.176 0.336 -15.393 908 H GLU 112 H GLU 112 -7.069 1.246 -13.684 909 HA GLU 112 HA GLU 112 -5.969 3.458 -15.275 910 HB2 GLU 112 2HB GLU 112 -6.051 2.977 -12.280 911 HB3 GLU 112 1HB GLU 112 -5.465 4.441 -13.065 912 HG2 GLU 112 2HG GLU 112 -8.289 3.360 -13.264 913 HG3 GLU 112 1HG GLU 112 -7.765 4.651 -12.179 914 H LYS 113 H LYS 113 -3.665 4.070 -14.456 915 HA LYS 113 HA LYS 113 -2.043 1.619 -14.608 916 HB2 LYS 113 2HB LYS 113 -1.506 4.519 -15.223 917 HB3 LYS 113 1HB LYS 113 -0.171 3.448 -14.837 918 HG2 LYS 113 2HG LYS 113 -0.816 3.656 -17.329 919 HG3 LYS 113 1HG LYS 113 -0.570 2.043 -16.696 920 HD2 LYS 113 2HD LYS 113 -2.965 1.671 -16.464 921 HD3 LYS 113 1HD LYS 113 -3.327 3.346 -16.890 922 HE2 LYS 113 2HE LYS 113 -1.985 1.303 -18.664 923 HE3 LYS 113 1HE LYS 113 -3.677 1.788 -18.772 924 HZ1 LYS 113 3HZ LYS 113 -2.836 3.275 -20.250 925 HZ2 LYS 113 1HZ LYS 113 -1.290 3.226 -19.609 926 HZ3 LYS 113 2HZ LYS 113 -2.475 4.182 -18.886 927 H ARG 114 H ARG 114 -0.603 1.025 -13.092 928 HA ARG 114 HA ARG 114 -1.169 1.618 -10.429 929 HB2 ARG 114 2HB ARG 114 0.351 0.013 -9.893 930 HB3 ARG 114 1HB ARG 114 0.234 -0.404 -11.608 931 HG2 ARG 114 2HG ARG 114 2.330 1.452 -10.372 932 HG3 ARG 114 1HG ARG 114 2.512 -0.260 -10.722 933 HD2 ARG 114 2HD ARG 114 2.230 0.027 -13.040 934 HD3 ARG 114 1HD ARG 114 1.773 1.709 -12.918 935 HE ARG 114 HE ARG 114 4.460 0.556 -12.698 936 HH11 ARG 114 1HH2 ARG 114 2.400 3.375 -12.220 937 HH12 ARG 114 2HH2 ARG 114 3.688 4.480 -12.335 938 HH21 ARG 114 1HH1 ARG 114 6.163 2.086 -12.830 939 HH22 ARG 114 2HH1 ARG 114 5.816 3.762 -12.682 940 H TYR 115 H TYR 115 0.018 2.728 -8.850 941 HA TYR 115 HA TYR 115 1.824 4.839 -9.920 942 HB2 TYR 115 2HB TYR 115 -0.455 5.657 -9.194 943 HB3 TYR 115 1HB TYR 115 -0.036 5.135 -7.562 944 HD1 TYR 115 1HD TYR 115 0.728 7.519 -10.264 945 HD2 TYR 115 2HD TYR 115 1.681 6.316 -6.244 946 HE1 TYR 115 1HE TYR 115 1.982 9.638 -9.909 947 HE2 TYR 115 2HE TYR 115 2.917 8.442 -5.921 948 HH TYR 115 HH TYR 115 4.072 10.187 -8.153 949 H TYR 116 H TYR 116 3.802 4.820 -9.036 950 HA TYR 116 HA TYR 116 4.221 3.251 -6.585 951 HB2 TYR 116 2HB TYR 116 6.022 4.117 -8.825 952 HB3 TYR 116 1HB TYR 116 6.715 3.861 -7.223 953 HD1 TYR 116 1HD TYR 116 4.321 2.170 -9.601 954 HD2 TYR 116 2HD TYR 116 7.412 1.711 -6.632 955 HE1 TYR 116 1HE TYR 116 4.278 -0.280 -9.909 956 HE2 TYR 116 2HE TYR 116 7.346 -0.734 -6.959 957 HH TYR 116 HH TYR 116 5.107 -2.376 -8.029 958 H LEU 117 H LEU 117 3.576 4.483 -4.989 959 HA LEU 117 HA LEU 117 3.937 7.280 -4.799 960 HB2 LEU 117 2HB LEU 117 2.188 6.049 -3.534 961 HB3 LEU 117 1HB LEU 117 3.460 5.274 -2.604 962 HG LEU 117 HG LEU 117 4.218 7.477 -1.767 963 HD11 LEU 117 1HD1 LEU 117 3.724 9.247 -3.035 964 HD12 LEU 117 2HD1 LEU 117 2.135 9.208 -2.288 965 HD13 LEU 117 3HD1 LEU 117 2.376 8.455 -3.850 966 HD21 LEU 117 3HD2 LEU 117 2.713 7.425 -0.107 967 HD22 LEU 117 1HD2 LEU 117 2.017 6.046 -0.950 968 HD23 LEU 117 2HD2 LEU 117 1.327 7.652 -1.180 969 H ILE 118 H ILE 118 5.781 4.548 -3.522 970 HA ILE 118 HA ILE 118 7.901 6.476 -2.839 971 HB ILE 118 HB ILE 118 7.145 3.929 -1.406 972 HG12 ILE 118 2HG1 ILE 118 7.187 6.825 -0.453 973 HG13 ILE 118 1HG1 ILE 118 5.743 5.974 -0.952 974 HG21 ILE 118 1HG2 ILE 118 9.542 4.062 -1.338 975 HG22 ILE 118 2HG2 ILE 118 8.973 4.676 0.206 976 HG23 ILE 118 3HG2 ILE 118 9.510 5.799 -1.037 977 HD11 ILE 118 3HD1 ILE 118 6.757 4.186 0.867 978 HD12 ILE 118 1HD1 ILE 118 5.582 5.448 1.255 979 HD13 ILE 118 2HD1 ILE 118 7.294 5.721 1.542 980 H LYS 119 H LYS 119 9.698 6.237 -3.904 981 HA LYS 119 HA LYS 119 10.122 3.816 -5.467 982 HB2 LYS 119 2HB LYS 119 11.893 6.240 -5.631 983 HB3 LYS 119 1HB LYS 119 11.524 5.045 -6.871 984 HG2 LYS 119 2HG LYS 119 9.623 7.157 -5.785 985 HG3 LYS 119 1HG LYS 119 10.388 7.147 -7.371 986 HD2 LYS 119 2HD LYS 119 9.185 4.731 -7.512 987 HD3 LYS 119 1HD LYS 119 8.113 5.499 -6.349 988 HE2 LYS 119 2HE LYS 119 7.210 5.938 -8.537 989 HE3 LYS 119 1HE LYS 119 7.884 7.442 -7.917 990 HZ1 LYS 119 3HZ LYS 119 9.747 5.796 -9.434 991 HZ2 LYS 119 1HZ LYS 119 9.486 7.453 -9.497 992 HZ3 LYS 119 2HZ LYS 119 8.477 6.396 -10.325 993 HA PRO 120 HA PRO 120 13.076 2.522 -2.331 994 HB2 PRO 120 2HB PRO 120 14.216 0.514 -3.737 995 HB3 PRO 120 1HB PRO 120 12.636 0.362 -2.938 996 HG2 PRO 120 2HG PRO 120 13.260 0.873 -5.810 997 HG3 PRO 120 1HG PRO 120 12.005 -0.154 -5.114 998 HD2 PRO 120 2HD PRO 120 11.469 2.303 -6.096 999 HD3 PRO 120 1HD PRO 120 10.548 1.650 -4.730 1000 H LYS 121 H LYS 121 15.249 2.796 -1.918 1001 HA LYS 121 HA LYS 121 16.613 4.715 -3.482 1002 HB2 LYS 121 2HB LYS 121 18.586 3.959 -1.893 1003 HB3 LYS 121 1HB LYS 121 17.226 4.901 -1.297 1004 HG2 LYS 121 2HG LYS 121 16.842 1.941 -1.247 1005 HG3 LYS 121 1HG LYS 121 18.014 2.541 -0.114 1006 HD2 LYS 121 2HD LYS 121 15.304 3.916 -0.282 1007 HD3 LYS 121 1HD LYS 121 15.480 2.399 0.560 1008 HE2 LYS 121 2HE LYS 121 16.076 4.971 1.583 1009 HE3 LYS 121 1HE LYS 121 16.322 3.421 2.369 1010 HZ1 LYS 121 3HZ LYS 121 18.525 3.311 1.317 1011 HZ2 LYS 121 1HZ LYS 121 18.339 4.636 2.313 1012 HZ3 LYS 121 2HZ LYS 121 18.304 4.869 0.651 1013 H LEU 122 H LEU 122 16.210 3.177 -5.387 1014 HA LEU 122 HA LEU 122 17.770 0.899 -5.874 1015 HB2 LEU 122 2HB LEU 122 16.594 2.901 -7.806 1016 HB3 LEU 122 1HB LEU 122 17.294 1.367 -8.291 1017 HG LEU 122 HG LEU 122 15.012 1.648 -6.321 1018 HD11 LEU 122 1HD1 LEU 122 13.613 0.733 -8.183 1019 HD12 LEU 122 2HD1 LEU 122 14.982 0.935 -9.271 1020 HD13 LEU 122 3HD1 LEU 122 14.243 2.345 -8.500 1021 HD21 LEU 122 3HD2 LEU 122 16.712 -0.587 -7.193 1022 HD22 LEU 122 1HD2 LEU 122 14.995 -0.902 -7.430 1023 HD23 LEU 122 2HD2 LEU 122 15.593 -0.485 -5.834 1024 H HIS 123 H HIS 123 18.405 4.305 -6.645 1025 HA HIS 123 HA HIS 123 20.930 3.545 -7.865 1026 HB2 HIS 123 2HB HIS 123 19.705 6.297 -7.727 1027 HB3 HIS 123 1HB HIS 123 21.053 5.766 -8.728 1028 HD1 HIS 123 1HD HIS 123 20.507 4.496 -10.908 1029 HD2 HIS 123 2HD HIS 123 17.123 5.238 -8.553 1030 HE1 HIS 123 1HE HIS 123 18.491 3.894 -12.312 1031 HE2 HIS 123 2HE HIS 123 16.422 4.341 -10.890 1032 HA PRO 124 HA PRO 124 23.077 5.037 -4.162 1033 HB2 PRO 124 2HB PRO 124 25.614 4.532 -5.080 1034 HB3 PRO 124 1HB PRO 124 24.565 3.287 -4.387 1035 HG2 PRO 124 2HG PRO 124 25.099 3.892 -7.249 1036 HG3 PRO 124 1HG PRO 124 24.973 2.328 -6.429 1037 HD2 PRO 124 2HD PRO 124 22.922 3.268 -7.879 1038 HD3 PRO 124 1HD PRO 124 22.641 2.339 -6.394 1039 H VAL 125 H VAL 125 22.014 6.937 -5.765 1040 HA VAL 125 HA VAL 125 22.231 9.018 -6.671 1041 HB VAL 125 HB VAL 125 24.915 9.064 -5.226 1042 HG11 VAL 125 1HG1 VAL 125 24.782 10.889 -6.796 1043 HG12 VAL 125 2HG1 VAL 125 24.450 11.539 -5.200 1044 HG13 VAL 125 3HG1 VAL 125 23.126 11.262 -6.322 1045 HG21 VAL 125 3HG2 VAL 125 22.955 8.527 -3.742 1046 HG22 VAL 125 1HG2 VAL 125 22.184 10.011 -4.298 1047 HG23 VAL 125 2HG2 VAL 125 23.689 10.086 -3.384 1048 H SER 126 H SER 126 25.718 8.888 -6.868 1049 HA SER 126 HA SER 126 25.669 9.170 -9.685 1050 HB2 SER 126 2HB SER 126 28.107 8.185 -8.256 1051 HB3 SER 126 1HB SER 126 27.973 9.358 -9.547 1052 HG SER 126 HG SER 126 28.415 10.170 -7.369 1053 H ASN 127 H ASN 127 24.662 7.463 -10.708 1054 HA ASN 127 HA ASN 127 26.080 4.897 -10.579 1055 HB2 ASN 127 2HB ASN 127 24.014 3.644 -10.658 1056 HB3 ASN 127 1HB ASN 127 24.050 4.665 -9.227 1057 HD21 ASN 127 1HD2 ASN 127 23.047 7.053 -9.834 1058 HD22 ASN 127 2HD2 ASN 127 21.579 6.965 -10.661 Start of MODEL 18 1 H1 GLY 1 H GLY 1 4.490 4.094 23.264 2 HA2 GLY 1 2HA GLY 1 2.344 2.352 23.830 3 HA3 GLY 1 1HA GLY 1 1.829 3.512 22.607 4 H ALA 2 H ALA 2 2.358 3.159 20.539 5 HA ALA 2 HA ALA 2 2.974 1.941 18.719 6 HB1 ALA 2 1HB ALA 2 5.357 1.833 18.325 7 HB2 ALA 2 2HB ALA 2 5.686 2.010 20.050 8 HB3 ALA 2 3HB ALA 2 4.988 3.353 19.140 9 H MET 3 H MET 3 1.835 0.310 20.607 10 HA MET 3 HA MET 3 3.483 -2.094 20.902 11 HB2 MET 3 2HB MET 3 0.653 -1.461 21.767 12 HB3 MET 3 1HB MET 3 1.476 -2.984 22.068 13 HG2 MET 3 2HG MET 3 3.252 -1.818 23.307 14 HG3 MET 3 1HG MET 3 2.451 -0.271 23.027 15 HE1 MET 3 3HE MET 3 -0.495 -0.053 25.075 16 HE2 MET 3 1HE MET 3 -0.813 -0.946 23.583 17 HE3 MET 3 2HE MET 3 0.339 0.369 23.587 18 H GLY 4 H GLY 4 3.750 -2.864 18.827 19 HA2 GLY 4 2HA GLY 4 3.200 -4.065 16.936 20 HA3 GLY 4 1HA GLY 4 1.670 -4.457 17.717 21 H SER 5 H SER 5 2.612 -1.156 17.377 22 HA SER 5 HA SER 5 0.258 -0.621 15.788 23 HB2 SER 5 2HB SER 5 2.192 1.492 16.627 24 HB3 SER 5 1HB SER 5 0.461 1.527 16.515 25 HG SER 5 HG SER 5 0.581 1.171 18.629 26 H GLY 6 H GLY 6 3.458 -1.352 15.128 27 HA2 GLY 6 2HA GLY 6 4.337 0.481 13.321 28 HA3 GLY 6 1HA GLY 6 4.703 -1.238 13.199 29 H ASP 7 H ASP 7 2.463 -2.450 12.454 30 HA ASP 7 HA ASP 7 2.151 -1.688 9.721 31 HB2 ASP 7 2HB ASP 7 0.234 -3.311 9.703 32 HB3 ASP 7 1HB ASP 7 1.783 -3.986 10.190 33 H THR 8 H THR 8 0.222 -1.220 12.515 34 HA THR 8 HA THR 8 -2.003 0.042 11.315 35 HB THR 8 HB THR 8 -0.833 0.580 14.049 36 HG1 THR 8 1HG THR 8 -1.296 -1.750 13.187 37 HG21 THR 8 3HG2 THR 8 -3.603 0.837 12.840 38 HG22 THR 8 1HG2 THR 8 -2.614 2.066 13.628 39 HG23 THR 8 2HG2 THR 8 -3.321 0.774 14.584 40 H GLN 9 H GLN 9 0.986 1.300 12.723 41 HA GLN 9 HA GLN 9 0.515 4.006 12.137 42 HB2 GLN 9 2HB GLN 9 2.805 2.363 13.040 43 HB3 GLN 9 1HB GLN 9 3.233 3.773 12.104 44 HG2 GLN 9 2HG GLN 9 1.163 4.147 14.213 45 HG3 GLN 9 1HG GLN 9 2.823 3.934 14.730 46 HE21 GLN 9 1HE2 GLN 9 0.751 6.006 12.700 47 HE22 GLN 9 2HE2 GLN 9 1.832 7.308 12.661 48 H LEU 10 H LEU 10 2.376 1.473 10.454 49 HA LEU 10 HA LEU 10 3.098 3.148 8.297 50 HB2 LEU 10 2HB LEU 10 2.793 0.140 8.332 51 HB3 LEU 10 1HB LEU 10 3.523 1.060 7.021 52 HG LEU 10 HG LEU 10 4.555 0.716 9.852 53 HD11 LEU 10 1HD1 LEU 10 6.323 0.495 7.572 54 HD12 LEU 10 2HD1 LEU 10 5.050 -0.727 7.630 55 HD13 LEU 10 3HD1 LEU 10 6.178 -0.537 8.995 56 HD21 LEU 10 3HD2 LEU 10 5.297 2.857 9.753 57 HD22 LEU 10 1HD2 LEU 10 4.981 3.024 8.030 58 HD23 LEU 10 2HD2 LEU 10 6.454 2.258 8.575 59 H PHE 11 H PHE 11 0.334 1.014 8.791 60 HA PHE 11 HA PHE 11 -0.802 1.286 6.245 61 HB2 PHE 11 2HB PHE 11 -1.674 -0.365 7.690 62 HB3 PHE 11 1HB PHE 11 -2.057 0.803 8.947 63 HD1 PHE 11 1HD PHE 11 -2.928 -0.070 5.373 64 HD2 PHE 11 2HD PHE 11 -4.149 1.885 9.017 65 HE1 PHE 11 1HE PHE 11 -5.133 0.371 4.401 66 HE2 PHE 11 2HE PHE 11 -6.380 2.284 8.039 67 HZ PHE 11 HZ PHE 11 -6.879 1.540 5.728 68 H ASN 12 H ASN 12 -1.369 3.171 9.195 69 HA ASN 12 HA ASN 12 -3.248 4.960 8.051 70 HB2 ASN 12 2HB ASN 12 -1.340 5.261 10.362 71 HB3 ASN 12 1HB ASN 12 -2.460 6.524 9.885 72 HD21 ASN 12 1HD2 ASN 12 -2.212 3.421 11.380 73 HD22 ASN 12 2HD2 ASN 12 -3.845 3.267 11.839 74 H ARG 13 H ARG 13 0.228 5.040 8.439 75 HA ARG 13 HA ARG 13 0.722 7.562 7.286 76 HB2 ARG 13 2HB ARG 13 2.368 5.040 7.576 77 HB3 ARG 13 1HB ARG 13 3.014 6.558 6.959 78 HG2 ARG 13 2HG ARG 13 2.518 7.720 8.990 79 HG3 ARG 13 1HG ARG 13 1.623 6.382 9.672 80 HD2 ARG 13 2HD ARG 13 3.565 5.014 9.698 81 HD3 ARG 13 1HD ARG 13 4.630 6.234 9.006 82 HE ARG 13 HE ARG 13 3.716 5.937 11.731 83 HH11 ARG 13 1HH2 ARG 13 4.725 8.300 9.378 84 HH12 ARG 13 2HH2 ARG 13 5.271 9.423 10.555 85 HH21 ARG 13 1HH1 ARG 13 4.403 7.409 13.272 86 HH22 ARG 13 2HH1 ARG 13 5.080 8.925 12.808 87 H ALA 14 H ALA 14 0.706 4.252 5.976 88 HA ALA 14 HA ALA 14 1.324 5.013 3.302 89 HB1 ALA 14 1HB ALA 14 -0.013 2.488 4.274 90 HB2 ALA 14 2HB ALA 14 1.728 2.740 4.155 91 HB3 ALA 14 3HB ALA 14 0.737 2.721 2.696 92 H VAL 15 H VAL 15 -1.761 3.980 4.780 93 HA VAL 15 HA VAL 15 -3.245 4.273 2.478 94 HB VAL 15 HB VAL 15 -3.843 3.155 4.738 95 HG11 VAL 15 1HG1 VAL 15 -5.136 5.849 5.200 96 HG12 VAL 15 2HG1 VAL 15 -3.711 5.266 6.058 97 HG13 VAL 15 3HG1 VAL 15 -5.246 4.420 6.220 98 HG21 VAL 15 3HG2 VAL 15 -5.594 4.394 2.675 99 HG22 VAL 15 1HG2 VAL 15 -6.399 3.899 4.161 100 HG23 VAL 15 2HG2 VAL 15 -5.501 2.723 3.230 101 H SER 16 H SER 16 -2.457 6.641 5.035 102 HA SER 16 HA SER 16 -4.227 8.617 4.139 103 HB2 SER 16 2HB SER 16 -3.151 8.696 6.364 104 HB3 SER 16 1HB SER 16 -1.590 8.914 5.605 105 HG SER 16 HG SER 16 -2.734 10.830 4.542 106 H MET 17 H MET 17 -0.826 7.883 3.382 107 HA MET 17 HA MET 17 -0.536 10.129 1.669 108 HB2 MET 17 2HB MET 17 1.035 7.540 1.699 109 HB3 MET 17 1HB MET 17 1.465 8.995 0.789 110 HG2 MET 17 2HG MET 17 1.395 10.252 3.015 111 HG3 MET 17 1HG MET 17 1.258 8.739 3.786 112 HE1 MET 17 3HE MET 17 2.915 6.946 4.067 113 HE2 MET 17 1HE MET 17 4.499 6.821 3.288 114 HE3 MET 17 2HE MET 17 3.037 6.592 2.342 115 H VAL 18 H VAL 18 -1.408 6.736 0.974 116 HA VAL 18 HA VAL 18 -1.479 7.218 -1.817 117 HB VAL 18 HB VAL 18 -2.620 5.055 -2.041 118 HG11 VAL 18 1HG1 VAL 18 -0.801 3.701 -1.100 119 HG12 VAL 18 2HG1 VAL 18 -0.310 5.050 -0.073 120 HG13 VAL 18 3HG1 VAL 18 -0.168 5.174 -1.831 121 HG21 VAL 18 3HG2 VAL 18 -2.734 3.759 0.246 122 HG22 VAL 18 1HG2 VAL 18 -4.055 4.849 -0.188 123 HG23 VAL 18 2HG2 VAL 18 -2.801 5.380 0.930 124 H GLU 19 H GLU 19 -4.102 7.202 0.615 125 HA GLU 19 HA GLU 19 -6.209 7.496 -1.230 126 HB2 GLU 19 2HB GLU 19 -5.967 8.492 1.625 127 HB3 GLU 19 1HB GLU 19 -7.427 8.481 0.625 128 HG2 GLU 19 2HG GLU 19 -7.370 6.009 0.520 129 HG3 GLU 19 1HG GLU 19 -5.873 6.013 1.405 130 H LYS 20 H LYS 20 -4.085 9.737 0.416 131 HA LYS 20 HA LYS 20 -5.511 12.028 -0.677 132 HB2 LYS 20 2HB LYS 20 -3.187 12.005 1.250 133 HB3 LYS 20 1HB LYS 20 -4.310 13.330 0.945 134 HG2 LYS 20 2HG LYS 20 -5.121 10.618 2.087 135 HG3 LYS 20 1HG LYS 20 -4.870 12.076 3.037 136 HD2 LYS 20 2HD LYS 20 -6.924 12.867 2.541 137 HD3 LYS 20 1HD LYS 20 -6.706 12.623 0.831 138 HE2 LYS 20 2HE LYS 20 -8.584 11.249 1.682 139 HE3 LYS 20 1HE LYS 20 -7.280 10.283 1.027 140 HZ1 LYS 20 3HZ LYS 20 -8.231 10.502 3.770 141 HZ2 LYS 20 1HZ LYS 20 -6.558 10.421 3.639 142 HZ3 LYS 20 2HZ LYS 20 -7.546 9.172 3.040 143 H ASN 21 H ASN 21 -3.028 10.139 -1.773 144 HA ASN 21 HA ASN 21 -1.284 12.191 -2.717 145 HB2 ASN 21 2HB ASN 21 -0.471 9.879 -2.507 146 HB3 ASN 21 1HB ASN 21 -1.596 9.373 -3.767 147 HD21 ASN 21 1HD2 ASN 21 1.434 11.059 -3.132 148 HD22 ASN 21 2HD2 ASN 21 1.878 11.259 -4.750 149 H LYS 22 H LYS 22 -1.672 13.557 -4.210 150 HA LYS 22 HA LYS 22 -4.015 13.902 -5.501 151 HB2 LYS 22 2HB LYS 22 -3.009 15.601 -6.807 152 HB3 LYS 22 1HB LYS 22 -2.215 15.630 -5.242 153 HG2 LYS 22 2HG LYS 22 -1.115 14.369 -7.800 154 HG3 LYS 22 1HG LYS 22 -0.580 15.849 -7.079 155 HD2 LYS 22 2HD LYS 22 -0.344 13.156 -5.622 156 HD3 LYS 22 1HD LYS 22 0.907 13.896 -6.575 157 HE2 LYS 22 2HE LYS 22 -0.263 14.973 -4.010 158 HE3 LYS 22 1HE LYS 22 1.398 14.535 -4.359 159 HZ1 LYS 22 3HZ LYS 22 1.618 16.707 -4.729 160 HZ2 LYS 22 1HZ LYS 22 0.003 16.990 -5.020 161 HZ3 LYS 22 2HZ LYS 22 1.003 16.394 -6.250 162 H ASP 23 H ASP 23 -1.163 12.338 -6.977 163 HA ASP 23 HA ASP 23 -2.396 11.933 -9.505 164 HB2 ASP 23 2HB ASP 23 0.114 11.735 -8.931 165 HB3 ASP 23 1HB ASP 23 -0.293 10.123 -8.356 166 H ILE 24 H ILE 24 -2.110 9.982 -6.616 167 HA ILE 24 HA ILE 24 -3.430 7.698 -7.627 168 HB ILE 24 HB ILE 24 -3.039 8.628 -4.767 169 HG12 ILE 24 2HG1 ILE 24 -1.766 6.357 -6.336 170 HG13 ILE 24 1HG1 ILE 24 -1.025 7.949 -6.170 171 HG21 ILE 24 1HG2 ILE 24 -4.380 6.175 -5.906 172 HG22 ILE 24 2HG2 ILE 24 -4.873 7.221 -4.562 173 HG23 ILE 24 3HG2 ILE 24 -3.539 6.108 -4.352 174 HD11 ILE 24 3HD1 ILE 24 -0.600 7.656 -3.883 175 HD12 ILE 24 1HD1 ILE 24 -0.402 6.020 -4.495 176 HD13 ILE 24 2HD1 ILE 24 -1.900 6.473 -3.712 177 H ARG 25 H ARG 25 -4.579 10.561 -5.914 178 HA ARG 25 HA ARG 25 -7.223 9.792 -5.505 179 HB2 ARG 25 2HB ARG 25 -6.030 12.446 -6.194 180 HB3 ARG 25 1HB ARG 25 -7.754 12.259 -5.907 181 HG2 ARG 25 2HG ARG 25 -7.299 11.345 -3.650 182 HG3 ARG 25 1HG ARG 25 -5.571 11.454 -3.926 183 HD2 ARG 25 2HD ARG 25 -6.350 13.372 -2.629 184 HD3 ARG 25 1HD ARG 25 -5.715 13.886 -4.160 185 HE ARG 25 HE ARG 25 -7.984 14.163 -4.985 186 HH11 ARG 25 1HH2 ARG 25 -7.655 13.743 -1.515 187 HH12 ARG 25 2HH2 ARG 25 -9.220 14.360 -1.179 188 HH21 ARG 25 1HH1 ARG 25 -10.045 15.022 -4.480 189 HH22 ARG 25 2HH1 ARG 25 -10.554 15.123 -2.855 190 H SER 26 H SER 26 -5.732 11.132 -8.402 191 HA SER 26 HA SER 26 -8.063 11.118 -10.018 192 HB2 SER 26 2HB SER 26 -5.141 10.953 -10.597 193 HB3 SER 26 1HB SER 26 -6.340 10.978 -11.910 194 HG SER 26 HG SER 26 -5.814 13.046 -11.565 195 H LEU 27 H LEU 27 -5.555 8.713 -9.327 196 HA LEU 27 HA LEU 27 -6.507 6.644 -11.055 197 HB2 LEU 27 2HB LEU 27 -4.953 6.471 -8.452 198 HB3 LEU 27 1HB LEU 27 -5.261 5.125 -9.532 199 HG LEU 27 HG LEU 27 -3.815 7.649 -10.393 200 HD11 LEU 27 1HD1 LEU 27 -2.831 5.664 -8.698 201 HD12 LEU 27 2HD1 LEU 27 -1.874 6.797 -9.619 202 HD13 LEU 27 3HD1 LEU 27 -2.232 5.198 -10.286 203 HD21 LEU 27 3HD2 LEU 27 -4.890 5.302 -11.774 204 HD22 LEU 27 1HD2 LEU 27 -3.158 5.452 -12.038 205 HD23 LEU 27 2HD2 LEU 27 -4.238 6.775 -12.460 206 H LEU 28 H LEU 28 -7.158 7.586 -7.739 207 HA LEU 28 HA LEU 28 -9.095 5.462 -7.371 208 HB2 LEU 28 2HB LEU 28 -8.379 7.811 -5.597 209 HB3 LEU 28 1HB LEU 28 -9.470 6.521 -5.121 210 HG LEU 28 HG LEU 28 -6.543 6.205 -5.854 211 HD11 LEU 28 1HD1 LEU 28 -7.965 6.059 -3.183 212 HD12 LEU 28 2HD1 LEU 28 -6.816 7.300 -3.696 213 HD13 LEU 28 3HD1 LEU 28 -6.273 5.649 -3.449 214 HD21 LEU 28 3HD2 LEU 28 -6.840 3.888 -5.008 215 HD22 LEU 28 1HD2 LEU 28 -7.835 4.165 -6.431 216 HD23 LEU 28 2HD2 LEU 28 -8.558 4.171 -4.807 217 H GLN 29 H GLN 29 -9.095 8.193 -9.085 218 HA GLN 29 HA GLN 29 -10.636 9.744 -9.761 219 HB2 GLN 29 2HB GLN 29 -12.751 7.654 -9.414 220 HB3 GLN 29 1HB GLN 29 -12.480 8.725 -10.787 221 HG2 GLN 29 2HG GLN 29 -10.139 7.127 -10.637 222 HG3 GLN 29 1HG GLN 29 -11.460 6.029 -10.331 223 HE21 GLN 29 1HE2 GLN 29 -9.796 7.727 -12.778 224 HE22 GLN 29 2HE2 GLN 29 -10.851 7.379 -14.056 225 H CYS 30 H CYS 30 -10.044 10.081 -7.231 226 HA CYS 30 HA CYS 30 -12.002 9.937 -5.254 227 HB2 CYS 30 2HB CYS 30 -9.448 10.607 -5.206 228 HB3 CYS 30 1HB CYS 30 -10.100 12.245 -5.226 229 HG CYS 30 HG CYS 30 -9.883 11.266 -2.734 230 H ASP 31 H ASP 31 -13.633 10.665 -7.175 231 HA ASP 31 HA ASP 31 -14.199 13.548 -6.948 232 HB2 ASP 31 2HB ASP 31 -14.096 12.408 -9.173 233 HB3 ASP 31 1HB ASP 31 -15.562 11.525 -8.712 234 H ASP 32 H ASP 32 -15.534 14.125 -5.356 235 HA ASP 32 HA ASP 32 -17.699 12.279 -4.545 236 HB2 ASP 32 2HB ASP 32 -16.148 14.349 -3.085 237 HB3 ASP 32 1HB ASP 32 -17.801 14.073 -2.583 238 H GLY 33 H GLY 33 -19.793 12.871 -4.723 239 HA2 GLY 33 2HA GLY 33 -21.524 14.471 -4.691 240 HA3 GLY 33 1HA GLY 33 -20.443 15.672 -5.382 241 H ILE 34 H ILE 34 -19.561 13.279 -7.196 242 HA ILE 34 HA ILE 34 -21.347 13.922 -9.389 243 HB ILE 34 HB ILE 34 -19.054 13.536 -9.942 244 HG12 ILE 34 2HG1 ILE 34 -19.273 11.403 -11.412 245 HG13 ILE 34 1HG1 ILE 34 -20.883 11.244 -10.776 246 HG21 ILE 34 1HG2 ILE 34 -19.122 11.499 -7.888 247 HG22 ILE 34 2HG2 ILE 34 -17.780 12.256 -8.707 248 HG23 ILE 34 3HG2 ILE 34 -18.500 10.835 -9.405 249 HD11 ILE 34 3HD1 ILE 34 -21.676 12.848 -12.048 250 HD12 ILE 34 1HD1 ILE 34 -20.163 12.790 -12.940 251 HD13 ILE 34 2HD1 ILE 34 -20.373 13.977 -11.652 252 H THR 35 H THR 35 -20.538 10.624 -8.660 253 HA THR 35 HA THR 35 -23.280 9.826 -9.037 254 HB THR 35 HB THR 35 -22.456 7.743 -9.185 255 HG1 THR 35 1HG THR 35 -21.586 7.784 -7.006 256 HG21 THR 35 3HG2 THR 35 -20.441 7.710 -10.424 257 HG22 THR 35 1HG2 THR 35 -19.816 9.126 -9.590 258 HG23 THR 35 2HG2 THR 35 -21.177 9.279 -10.717 259 H GLY 36 H GLY 36 -23.251 11.640 -7.067 260 HA2 GLY 36 2HA GLY 36 -24.040 11.870 -4.849 261 HA3 GLY 36 1HA GLY 36 -23.801 10.109 -4.686 262 H LYS 37 H LYS 37 -22.544 10.387 -2.762 263 HA LYS 37 HA LYS 37 -19.781 11.244 -3.418 264 HB2 LYS 37 2HB LYS 37 -21.324 11.439 -0.826 265 HB3 LYS 37 1HB LYS 37 -19.579 11.314 -0.885 266 HG2 LYS 37 2HG LYS 37 -19.942 13.645 -0.874 267 HG3 LYS 37 1HG LYS 37 -19.582 13.249 -2.547 268 HD2 LYS 37 2HD LYS 37 -21.465 14.703 -2.640 269 HD3 LYS 37 1HD LYS 37 -22.134 13.117 -2.930 270 HE2 LYS 37 2HE LYS 37 -23.605 13.898 -1.349 271 HE3 LYS 37 1HE LYS 37 -22.471 13.092 -0.286 272 HZ1 LYS 37 3HZ LYS 37 -22.002 15.959 -0.949 273 HZ2 LYS 37 1HZ LYS 37 -21.596 15.079 0.425 274 HZ3 LYS 37 2HZ LYS 37 -23.190 15.569 0.148 275 H GLU 38 H GLU 38 -18.486 9.608 -3.663 276 HA GLU 38 HA GLU 38 -19.198 7.016 -2.559 277 HB2 GLU 38 2HB GLU 38 -17.307 7.926 -4.670 278 HB3 GLU 38 1HB GLU 38 -17.038 6.359 -3.882 279 HG2 GLU 38 2HG GLU 38 -19.657 7.219 -5.133 280 HG3 GLU 38 1HG GLU 38 -18.411 6.280 -5.950 281 H ARG 39 H ARG 39 -17.885 5.768 -1.340 282 HA ARG 39 HA ARG 39 -16.131 7.372 0.438 283 HB2 ARG 39 2HB ARG 39 -17.513 4.760 1.076 284 HB3 ARG 39 1HB ARG 39 -16.709 5.846 2.207 285 HG2 ARG 39 2HG ARG 39 -19.157 6.578 0.555 286 HG3 ARG 39 1HG ARG 39 -19.190 6.094 2.240 287 HD2 ARG 39 2HD ARG 39 -17.570 8.479 1.259 288 HD3 ARG 39 1HD ARG 39 -19.221 8.577 1.804 289 HE ARG 39 HE ARG 39 -17.934 7.237 3.840 290 HH11 ARG 39 1HH2 ARG 39 -17.493 10.277 2.195 291 HH12 ARG 39 2HH2 ARG 39 -16.888 11.105 3.567 292 HH21 ARG 39 1HH1 ARG 39 -17.120 8.333 5.687 293 HH22 ARG 39 2HH1 ARG 39 -16.683 9.977 5.567 294 H LEU 40 H LEU 40 -14.031 6.847 0.677 295 HA LEU 40 HA LEU 40 -12.944 4.745 -0.997 296 HB2 LEU 40 2HB LEU 40 -11.683 6.771 0.865 297 HB3 LEU 40 1HB LEU 40 -10.766 5.506 0.077 298 HG LEU 40 HG LEU 40 -11.907 6.329 -2.122 299 HD11 LEU 40 1HD1 LEU 40 -12.310 8.669 -0.263 300 HD12 LEU 40 2HD1 LEU 40 -13.517 7.852 -1.267 301 HD13 LEU 40 3HD1 LEU 40 -12.254 8.836 -2.016 302 HD21 LEU 40 3HD2 LEU 40 -9.889 8.210 -0.865 303 HD22 LEU 40 1HD2 LEU 40 -10.035 7.761 -2.560 304 HD23 LEU 40 2HD2 LEU 40 -9.442 6.587 -1.385 305 H LYS 41 H LYS 41 -12.100 2.840 -0.338 306 HA LYS 41 HA LYS 41 -12.148 2.250 2.544 307 HB2 LYS 41 2HB LYS 41 -13.259 0.503 0.337 308 HB3 LYS 41 1HB LYS 41 -12.858 -0.105 1.923 309 HG2 LYS 41 2HG LYS 41 -14.626 2.324 1.778 310 HG3 LYS 41 1HG LYS 41 -15.306 0.767 1.359 311 HD2 LYS 41 2HD LYS 41 -15.700 0.794 3.676 312 HD3 LYS 41 1HD LYS 41 -14.209 -0.100 3.581 313 HE2 LYS 41 2HE LYS 41 -14.277 1.757 5.323 314 HE3 LYS 41 1HE LYS 41 -12.893 1.789 4.243 315 HZ1 LYS 41 3HZ LYS 41 -14.272 3.911 4.701 316 HZ2 LYS 41 1HZ LYS 41 -15.337 3.316 3.559 317 HZ3 LYS 41 2HZ LYS 41 -13.705 3.691 3.151 318 H ALA 42 H ALA 42 -10.619 0.880 3.294 319 HA ALA 42 HA ALA 42 -8.733 -0.186 1.380 320 HB1 ALA 42 1HB ALA 42 -6.790 0.562 2.748 321 HB2 ALA 42 2HB ALA 42 -7.889 1.481 3.775 322 HB3 ALA 42 3HB ALA 42 -7.688 1.922 2.081 323 H TYR 43 H TYR 43 -8.233 -2.266 1.914 324 HA TYR 43 HA TYR 43 -8.401 -3.185 4.673 325 HB2 TYR 43 2HB TYR 43 -10.077 -4.978 4.026 326 HB3 TYR 43 1HB TYR 43 -10.713 -3.351 4.197 327 HD1 TYR 43 1HD TYR 43 -9.568 -5.878 1.715 328 HD2 TYR 43 2HD TYR 43 -11.664 -2.179 2.336 329 HE1 TYR 43 1HE TYR 43 -10.371 -5.966 -0.579 330 HE2 TYR 43 2HE TYR 43 -12.480 -2.247 0.015 331 HH TYR 43 HH TYR 43 -12.771 -3.623 -1.760 332 H GLY 44 H GLY 44 -8.030 -5.587 4.843 333 HA2 GLY 44 2HA GLY 44 -5.597 -6.329 3.918 334 HA3 GLY 44 1HA GLY 44 -6.832 -7.457 4.426 335 H GLU 45 H GLU 45 -4.862 -6.991 2.095 336 HA GLU 45 HA GLU 45 -6.042 -6.720 -0.315 337 HB2 GLU 45 2HB GLU 45 -3.626 -7.208 0.669 338 HB3 GLU 45 1HB GLU 45 -3.904 -8.698 -0.267 339 HG2 GLU 45 2HG GLU 45 -4.427 -5.950 -1.406 340 HG3 GLU 45 1HG GLU 45 -2.850 -6.736 -1.502 341 H LEU 46 H LEU 46 -7.502 -7.816 -1.415 342 HA LEU 46 HA LEU 46 -8.431 -10.428 -0.706 343 HB2 LEU 46 2HB LEU 46 -9.029 -8.907 -3.243 344 HB3 LEU 46 1HB LEU 46 -9.952 -10.238 -2.551 345 HG LEU 46 HG LEU 46 -9.563 -7.489 -1.417 346 HD11 LEU 46 1HD1 LEU 46 -12.188 -8.897 -1.823 347 HD12 LEU 46 2HD1 LEU 46 -11.393 -8.076 -3.166 348 HD13 LEU 46 3HD1 LEU 46 -11.864 -7.171 -1.730 349 HD21 LEU 46 3HD2 LEU 46 -11.059 -8.403 0.486 350 HD22 LEU 46 1HD2 LEU 46 -9.358 -8.875 0.464 351 HD23 LEU 46 2HD2 LEU 46 -10.588 -10.008 -0.100 352 H ILE 47 H ILE 47 -6.285 -9.173 -3.193 353 HA ILE 47 HA ILE 47 -6.015 -11.826 -4.374 354 HB ILE 47 HB ILE 47 -4.602 -9.220 -5.053 355 HG12 ILE 47 2HG1 ILE 47 -6.947 -10.585 -6.411 356 HG13 ILE 47 1HG1 ILE 47 -7.089 -9.173 -5.349 357 HG21 ILE 47 1HG2 ILE 47 -3.274 -10.642 -6.215 358 HG22 ILE 47 2HG2 ILE 47 -4.630 -10.766 -7.322 359 HG23 ILE 47 3HG2 ILE 47 -4.398 -11.992 -6.081 360 HD11 ILE 47 3HD1 ILE 47 -6.565 -7.799 -7.074 361 HD12 ILE 47 1HD1 ILE 47 -6.518 -9.194 -8.137 362 HD13 ILE 47 2HD1 ILE 47 -5.058 -8.666 -7.331 363 H THR 48 H THR 48 -5.044 -10.531 -1.656 364 HA THR 48 HA THR 48 -2.776 -10.138 -0.970 365 HB THR 48 HB THR 48 -2.968 -12.569 0.485 366 HG1 THR 48 1HG THR 48 -5.446 -11.214 0.288 367 HG21 THR 48 3HG2 THR 48 -2.820 -9.792 0.939 368 HG22 THR 48 1HG2 THR 48 -2.695 -11.118 2.063 369 HG23 THR 48 2HG2 THR 48 -4.249 -10.331 1.804 370 H ASN 49 H ASN 49 -2.698 -13.689 -0.863 371 HA ASN 49 HA ASN 49 -0.305 -13.633 -2.593 372 HB2 ASN 49 2HB ASN 49 -0.806 -15.529 -0.265 373 HB3 ASN 49 1HB ASN 49 0.561 -15.566 -1.358 374 HD21 ASN 49 1HD2 ASN 49 1.667 -13.201 -1.528 375 HD22 ASN 49 2HD2 ASN 49 1.928 -12.460 -0.040 376 H ASP 50 H ASP 50 -1.649 -16.608 -1.470 377 HA ASP 50 HA ASP 50 -2.019 -17.536 -4.157 378 HB2 ASP 50 2HB ASP 50 -2.723 -18.875 -1.530 379 HB3 ASP 50 1HB ASP 50 -2.650 -19.636 -3.101 380 H LYS 51 H LYS 51 -4.360 -18.278 -1.622 381 HA LYS 51 HA LYS 51 -6.487 -17.228 -3.366 382 HB2 LYS 51 2HB LYS 51 -6.461 -19.716 -1.673 383 HB3 LYS 51 1HB LYS 51 -7.927 -19.029 -2.394 384 HG2 LYS 51 2HG LYS 51 -6.917 -19.139 -4.631 385 HG3 LYS 51 1HG LYS 51 -5.437 -19.803 -3.944 386 HD2 LYS 51 2HD LYS 51 -6.651 -21.803 -3.188 387 HD3 LYS 51 1HD LYS 51 -8.164 -21.124 -3.760 388 HE2 LYS 51 2HE LYS 51 -7.277 -22.706 -5.419 389 HE3 LYS 51 1HE LYS 51 -7.317 -21.078 -6.073 390 HZ1 LYS 51 3HZ LYS 51 -4.918 -22.381 -4.884 391 HZ2 LYS 51 1HZ LYS 51 -4.938 -20.847 -5.595 392 HZ3 LYS 51 2HZ LYS 51 -5.230 -22.205 -6.536 393 H TRP 52 H TRP 52 -6.902 -18.421 -0.074 394 HA TRP 52 HA TRP 52 -8.083 -15.781 0.539 395 HB2 TRP 52 2HB TRP 52 -9.019 -18.530 1.136 396 HB3 TRP 52 1HB TRP 52 -9.330 -17.292 2.340 397 HD1 TRP 52 HD TRP 52 -10.630 -18.594 -0.860 398 HE1 TRP 52 1HE TRP 52 -12.449 -17.012 -1.794 399 HE3 TRP 52 3HE TRP 52 -9.875 -14.546 2.129 400 HZ2 TRP 52 2HZ TRP 52 -13.433 -14.369 -1.328 401 HZ3 TRP 52 3HZ TRP 52 -11.270 -12.495 1.868 402 HH2 TRP 52 HH TRP 52 -13.046 -12.416 0.138 403 H THR 53 H THR 53 -7.040 -18.455 2.628 404 HA THR 53 HA THR 53 -6.763 -17.168 4.915 405 HB THR 53 HB THR 53 -4.513 -19.013 4.220 406 HG1 THR 53 1HG THR 53 -5.934 -20.384 3.495 407 HG21 THR 53 3HG2 THR 53 -5.274 -19.955 6.459 408 HG22 THR 53 1HG2 THR 53 -6.368 -18.588 6.574 409 HG23 THR 53 2HG2 THR 53 -4.633 -18.324 6.523 410 H ARG 54 H ARG 54 -4.565 -16.766 2.313 411 HA ARG 54 HA ARG 54 -2.504 -15.423 3.792 412 HB2 ARG 54 2HB ARG 54 -2.093 -14.418 1.336 413 HB3 ARG 54 1HB ARG 54 -1.507 -15.979 1.842 414 HG2 ARG 54 2HG ARG 54 -2.606 -16.455 -0.195 415 HG3 ARG 54 1HG ARG 54 -3.766 -16.935 0.975 416 HD2 ARG 54 2HD ARG 54 -5.254 -15.373 0.368 417 HD3 ARG 54 1HD ARG 54 -4.090 -14.083 0.344 418 HE ARG 54 HE ARG 54 -3.768 -15.845 -1.898 419 HH11 ARG 54 1HH2 ARG 54 -5.577 -13.138 -0.631 420 HH12 ARG 54 2HH2 ARG 54 -6.328 -12.764 -2.106 421 HH21 ARG 54 1HH1 ARG 54 -4.738 -15.291 -3.948 422 HH22 ARG 54 2HH1 ARG 54 -5.810 -13.968 -4.027 423 H ASN 55 H ASN 55 -5.613 -14.512 2.981 424 HA ASN 55 HA ASN 55 -5.318 -11.817 2.297 425 HB2 ASN 55 2HB ASN 55 -7.623 -11.509 2.845 426 HB3 ASN 55 1HB ASN 55 -7.391 -13.018 1.974 427 HD21 ASN 55 1HD2 ASN 55 -9.731 -12.825 3.490 428 HD22 ASN 55 2HD2 ASN 55 -9.605 -13.754 4.903 429 H ARG 56 H ARG 56 -3.868 -12.854 4.813 430 HA ARG 56 HA ARG 56 -4.505 -11.864 7.164 431 HB2 ARG 56 2HB ARG 56 -1.894 -11.163 5.821 432 HB3 ARG 56 1HB ARG 56 -2.186 -11.217 7.550 433 HG2 ARG 56 2HG ARG 56 -2.215 -13.523 7.643 434 HG3 ARG 56 1HG ARG 56 -2.864 -13.725 6.035 435 HD2 ARG 56 2HD ARG 56 -0.178 -14.064 6.777 436 HD3 ARG 56 1HD ARG 56 -0.817 -14.023 5.164 437 HE ARG 56 HE ARG 56 0.098 -11.927 4.867 438 HH11 ARG 56 1HH2 ARG 56 -0.031 -12.724 8.253 439 HH12 ARG 56 2HH2 ARG 56 0.898 -11.390 8.785 440 HH21 ARG 56 1HH1 ARG 56 1.357 -10.082 5.569 441 HH22 ARG 56 2HH1 ARG 56 1.683 -9.875 7.236 442 HA PRO 57 HA PRO 57 -6.090 -7.775 6.267 443 HB2 PRO 57 2HB PRO 57 -5.650 -7.525 9.189 444 HB3 PRO 57 1HB PRO 57 -7.070 -7.104 8.218 445 HG2 PRO 57 2HG PRO 57 -7.028 -9.343 9.659 446 HG3 PRO 57 1HG PRO 57 -7.827 -9.278 8.079 447 HD2 PRO 57 2HD PRO 57 -5.299 -10.649 8.819 448 HD3 PRO 57 1HD PRO 57 -6.407 -10.956 7.449 449 H ILE 58 H ILE 58 -5.502 -5.486 7.102 450 HA ILE 58 HA ILE 58 -2.990 -4.810 6.161 451 HB ILE 58 HB ILE 58 -4.778 -3.338 8.074 452 HG12 ILE 58 2HG1 ILE 58 -4.407 -2.781 5.156 453 HG13 ILE 58 1HG1 ILE 58 -5.601 -3.989 5.652 454 HG21 ILE 58 1HG2 ILE 58 -2.248 -2.596 7.852 455 HG22 ILE 58 2HG2 ILE 58 -3.554 -1.440 7.727 456 HG23 ILE 58 3HG2 ILE 58 -2.786 -2.036 6.258 457 HD11 ILE 58 3HD1 ILE 58 -6.314 -1.500 5.332 458 HD12 ILE 58 1HD1 ILE 58 -5.545 -1.248 6.897 459 HD13 ILE 58 2HD1 ILE 58 -6.896 -2.369 6.737 460 H VAL 59 H VAL 59 -1.463 -6.149 7.108 461 HA VAL 59 HA VAL 59 -0.459 -5.226 9.682 462 HB VAL 59 HB VAL 59 0.281 -7.566 10.162 463 HG11 VAL 59 1HG1 VAL 59 -2.087 -8.447 10.654 464 HG12 VAL 59 2HG1 VAL 59 -2.681 -6.977 9.911 465 HG13 VAL 59 3HG1 VAL 59 -1.656 -6.890 11.349 466 HG21 VAL 59 3HG2 VAL 59 -0.062 -9.282 8.708 467 HG22 VAL 59 1HG2 VAL 59 -0.392 -8.049 7.490 468 HG23 VAL 59 2HG2 VAL 59 -1.716 -8.796 8.387 469 H SER 60 H SER 60 1.942 -5.688 9.802 470 HA SER 60 HA SER 60 3.060 -5.924 7.094 471 HB2 SER 60 2HB SER 60 4.892 -4.374 7.715 472 HB3 SER 60 1HB SER 60 3.310 -3.607 7.740 473 HG SER 60 HG SER 60 3.450 -3.417 9.873 474 H THR 61 H THR 61 4.753 -7.205 6.789 475 HA THR 61 HA THR 61 5.069 -9.312 8.637 476 HB THR 61 HB THR 61 6.632 -10.185 6.995 477 HG1 THR 61 1HG THR 61 7.681 -8.202 6.500 478 HG21 THR 61 3HG2 THR 61 5.158 -10.078 4.994 479 HG22 THR 61 1HG2 THR 61 4.211 -8.813 5.766 480 HG23 THR 61 2HG2 THR 61 4.268 -10.431 6.464 481 H LYS 62 H LYS 62 7.319 -10.068 9.209 482 HA LYS 62 HA LYS 62 9.206 -7.876 9.683 483 HB2 LYS 62 2HB LYS 62 8.492 -10.014 11.712 484 HB3 LYS 62 1HB LYS 62 9.831 -8.865 11.842 485 HG2 LYS 62 2HG LYS 62 6.927 -8.030 11.545 486 HG3 LYS 62 1HG LYS 62 7.741 -8.217 13.098 487 HD2 LYS 62 2HD LYS 62 9.417 -6.514 12.458 488 HD3 LYS 62 1HD LYS 62 8.690 -6.326 10.890 489 HE2 LYS 62 2HE LYS 62 8.055 -4.687 12.837 490 HE3 LYS 62 1HE LYS 62 6.872 -5.270 11.643 491 HZ1 LYS 62 3HZ LYS 62 6.168 -6.987 13.271 492 HZ2 LYS 62 1HZ LYS 62 5.963 -5.441 13.851 493 HZ3 LYS 62 2HZ LYS 62 7.246 -6.351 14.414 494 H LYS 63 H LYS 63 10.249 -8.642 7.789 495 HA LYS 63 HA LYS 63 11.456 -11.306 8.107 496 HB2 LYS 63 2HB LYS 63 11.236 -9.632 5.594 497 HB3 LYS 63 1HB LYS 63 11.925 -11.247 5.716 498 HG2 LYS 63 2HG LYS 63 9.548 -11.840 6.812 499 HG3 LYS 63 1HG LYS 63 9.039 -10.426 5.924 500 HD2 LYS 63 2HD LYS 63 10.604 -12.601 4.548 501 HD3 LYS 63 1HD LYS 63 8.862 -12.729 4.746 502 HE2 LYS 63 2HE LYS 63 8.554 -10.565 3.576 503 HE3 LYS 63 1HE LYS 63 10.322 -10.462 3.413 504 HZ1 LYS 63 3HZ LYS 63 8.467 -11.934 1.779 505 HZ2 LYS 63 1HZ LYS 63 9.716 -12.911 2.356 506 HZ3 LYS 63 2HZ LYS 63 10.064 -11.515 1.530 507 H LEU 64 H LEU 64 13.351 -11.243 9.028 508 HA LEU 64 HA LEU 64 15.095 -8.913 8.549 509 HB2 LEU 64 2HB LEU 64 14.394 -9.193 10.898 510 HB3 LEU 64 1HB LEU 64 14.994 -10.836 10.881 511 HG LEU 64 HG LEU 64 17.304 -10.017 10.455 512 HD11 LEU 64 1HD1 LEU 64 17.444 -7.985 9.471 513 HD12 LEU 64 2HD1 LEU 64 17.231 -7.326 11.090 514 HD13 LEU 64 3HD1 LEU 64 15.842 -7.505 10.023 515 HD21 LEU 64 3HD2 LEU 64 15.914 -8.666 12.796 516 HD22 LEU 64 1HD2 LEU 64 17.646 -8.951 12.659 517 HD23 LEU 64 2HD2 LEU 64 16.548 -10.319 12.786 518 H ASP 65 H ASP 65 16.927 -9.230 7.478 519 HA ASP 65 HA ASP 65 17.935 -11.985 7.215 520 HB2 ASP 65 2HB ASP 65 17.057 -10.167 5.151 521 HB3 ASP 65 1HB ASP 65 18.762 -10.450 4.969 522 H LYS 66 H LYS 66 20.117 -11.812 6.127 523 HA LYS 66 HA LYS 66 22.178 -11.179 7.760 524 HB2 LYS 66 2HB LYS 66 23.570 -10.950 5.692 525 HB3 LYS 66 1HB LYS 66 22.572 -12.399 5.712 526 HG2 LYS 66 2HG LYS 66 21.361 -9.935 4.440 527 HG3 LYS 66 1HG LYS 66 22.654 -10.736 3.597 528 HD2 LYS 66 2HD LYS 66 21.496 -12.778 3.445 529 HD3 LYS 66 1HD LYS 66 20.217 -12.349 4.545 530 HE2 LYS 66 2HE LYS 66 19.594 -10.481 2.933 531 HE3 LYS 66 1HE LYS 66 20.781 -11.168 1.815 532 HZ1 LYS 66 3HZ LYS 66 18.204 -12.270 2.730 533 HZ2 LYS 66 1HZ LYS 66 19.419 -13.347 2.247 534 HZ3 LYS 66 2HZ LYS 66 18.842 -12.173 1.179 535 H GLU 67 H GLU 67 20.329 -8.985 5.804 536 HA GLU 67 HA GLU 67 22.020 -6.755 5.712 537 HB2 GLU 67 2HB GLU 67 18.993 -6.967 5.673 538 HB3 GLU 67 1HB GLU 67 19.884 -5.489 5.342 539 HG2 GLU 67 2HG GLU 67 21.041 -6.519 3.476 540 HG3 GLU 67 1HG GLU 67 20.279 -8.074 3.802 541 H GLY 68 H GLY 68 19.804 -7.943 8.165 542 HA2 GLY 68 2HA GLY 68 19.845 -7.454 10.462 543 HA3 GLY 68 1HA GLY 68 20.998 -6.159 10.131 544 H ARG 69 H ARG 69 18.422 -6.104 8.008 545 HA ARG 69 HA ARG 69 17.048 -4.051 9.622 546 HB2 ARG 69 2HB ARG 69 16.800 -4.165 6.637 547 HB3 ARG 69 1HB ARG 69 16.722 -2.770 7.712 548 HG2 ARG 69 2HG ARG 69 19.241 -4.322 7.000 549 HG3 ARG 69 1HG ARG 69 18.805 -2.748 6.385 550 HD2 ARG 69 2HD ARG 69 19.392 -1.657 8.273 551 HD3 ARG 69 1HD ARG 69 18.797 -2.898 9.359 552 HE ARG 69 HE ARG 69 21.033 -4.015 8.158 553 HH11 ARG 69 1HH2 ARG 69 20.357 -1.072 9.906 554 HH12 ARG 69 2HH2 ARG 69 21.904 -0.964 10.615 555 HH21 ARG 69 1HH1 ARG 69 23.089 -3.899 9.112 556 HH22 ARG 69 2HH1 ARG 69 23.466 -2.590 10.159 557 H THR 70 H THR 70 15.044 -4.616 10.131 558 HA THR 70 HA THR 70 13.961 -7.098 9.096 559 HB THR 70 HB THR 70 12.986 -5.145 11.199 560 HG1 THR 70 1HG THR 70 14.800 -6.835 11.401 561 HG21 THR 70 3HG2 THR 70 11.435 -7.244 11.658 562 HG22 THR 70 1HG2 THR 70 11.603 -7.477 9.915 563 HG23 THR 70 2HG2 THR 70 10.943 -5.967 10.552 564 H HIS 71 H HIS 71 12.636 -7.303 7.455 565 HA HIS 71 HA HIS 71 11.773 -4.914 6.058 566 HB2 HIS 71 2HB HIS 71 12.742 -7.214 5.111 567 HB3 HIS 71 1HB HIS 71 11.037 -7.631 5.093 568 HD1 HIS 71 1HD HIS 71 13.581 -5.673 3.288 569 HD2 HIS 71 2HD HIS 71 9.386 -5.781 3.389 570 HE1 HIS 71 1HE HIS 71 12.741 -4.473 1.219 571 HE2 HIS 71 2HE HIS 71 10.211 -4.585 1.258 572 H HIS 72 H HIS 72 9.820 -4.079 6.096 573 HA HIS 72 HA HIS 72 7.615 -5.528 7.381 574 HB2 HIS 72 2HB HIS 72 8.164 -2.627 6.758 575 HB3 HIS 72 1HB HIS 72 6.539 -3.169 7.038 576 HD1 HIS 72 1HD HIS 72 5.794 -3.405 9.487 577 HD2 HIS 72 2HD HIS 72 9.959 -3.061 9.086 578 HE1 HIS 72 1HE HIS 72 6.709 -2.975 11.782 579 HE2 HIS 72 2HE HIS 72 9.227 -2.794 11.597 580 H TYR 73 H TYR 73 6.565 -6.731 5.726 581 HA TYR 73 HA TYR 73 6.143 -5.417 3.121 582 HB2 TYR 73 2HB TYR 73 5.711 -8.249 4.112 583 HB3 TYR 73 1HB TYR 73 5.024 -7.674 2.615 584 HD1 TYR 73 1HD TYR 73 8.321 -8.040 4.405 585 HD2 TYR 73 2HD TYR 73 6.281 -7.648 0.627 586 HE1 TYR 73 1HE TYR 73 10.418 -8.512 3.212 587 HE2 TYR 73 2HE TYR 73 8.392 -8.119 -0.546 588 HH TYR 73 HH TYR 73 10.540 -9.421 0.073 589 H MET 74 H MET 74 4.416 -4.084 3.183 590 HA MET 74 HA MET 74 2.040 -4.998 4.675 591 HB2 MET 74 2HB MET 74 3.207 -3.059 5.748 592 HB3 MET 74 1HB MET 74 2.964 -2.153 4.263 593 HG2 MET 74 2HG MET 74 0.540 -2.306 4.472 594 HG3 MET 74 1HG MET 74 0.684 -3.363 5.873 595 HE1 MET 74 3HE MET 74 2.886 -0.041 5.049 596 HE2 MET 74 1HE MET 74 1.600 1.082 5.506 597 HE3 MET 74 2HE MET 74 1.323 -0.086 4.234 598 H ARG 75 H ARG 75 0.416 -5.366 3.356 599 HA ARG 75 HA ARG 75 0.134 -3.741 0.930 600 HB2 ARG 75 2HB ARG 75 -0.446 -5.908 -0.294 601 HB3 ARG 75 1HB ARG 75 1.249 -5.615 0.062 602 HG2 ARG 75 2HG ARG 75 1.270 -7.655 1.007 603 HG3 ARG 75 1HG ARG 75 0.415 -6.963 2.371 604 HD2 ARG 75 2HD ARG 75 -1.725 -7.405 0.962 605 HD3 ARG 75 1HD ARG 75 -0.699 -8.447 0.004 606 HE ARG 75 HE ARG 75 -0.575 -9.955 1.764 607 HH11 ARG 75 1HH2 ARG 75 -2.036 -6.926 2.879 608 HH12 ARG 75 2HH2 ARG 75 -2.697 -7.658 4.284 609 HH21 ARG 75 1HH1 ARG 75 -1.539 -10.848 3.707 610 HH22 ARG 75 2HH1 ARG 75 -2.466 -9.800 4.725 611 H PHE 76 H PHE 76 -1.960 -3.246 0.451 612 HA PHE 76 HA PHE 76 -4.106 -4.856 1.472 613 HB2 PHE 76 2HB PHE 76 -5.259 -2.917 2.601 614 HB3 PHE 76 1HB PHE 76 -3.848 -3.565 3.437 615 HD1 PHE 76 2HD PHE 76 -1.765 -2.290 3.560 616 HD2 PHE 76 1HD PHE 76 -5.212 -0.662 1.560 617 HE1 PHE 76 2HE PHE 76 -0.733 -0.040 3.593 618 HE2 PHE 76 1HE PHE 76 -4.154 1.592 1.610 619 HZ PHE 76 HZ PHE 76 -1.937 1.896 2.616 620 H HIS 77 H HIS 77 -6.231 -4.200 0.784 621 HA HIS 77 HA HIS 77 -6.048 -3.164 -1.964 622 HB2 HIS 77 2HB HIS 77 -7.316 -5.448 -0.929 623 HB3 HIS 77 1HB HIS 77 -8.603 -4.282 -1.130 624 HD1 HIS 77 1HD HIS 77 -6.290 -6.469 -3.111 625 HD2 HIS 77 2HD HIS 77 -8.875 -3.236 -3.822 626 HE1 HIS 77 1HE HIS 77 -6.604 -6.361 -5.537 627 HE2 HIS 77 2HE HIS 77 -8.180 -4.405 -6.061 628 H VAL 78 H VAL 78 -7.406 -1.487 -2.650 629 HA VAL 78 HA VAL 78 -9.040 -0.311 -0.537 630 HB VAL 78 HB VAL 78 -8.307 1.878 -0.907 631 HG11 VAL 78 1HG1 VAL 78 -5.790 0.285 -1.327 632 HG12 VAL 78 2HG1 VAL 78 -6.636 0.352 0.221 633 HG13 VAL 78 3HG1 VAL 78 -5.952 1.824 -0.482 634 HG21 VAL 78 3HG2 VAL 78 -7.347 0.808 -3.547 635 HG22 VAL 78 1HG2 VAL 78 -6.500 2.198 -2.859 636 HG23 VAL 78 2HG2 VAL 78 -8.216 2.309 -3.177 637 H GLU 79 H GLU 79 -10.775 0.932 -1.269 638 HA GLU 79 HA GLU 79 -11.599 0.350 -4.044 639 HB2 GLU 79 2HB GLU 79 -13.242 0.591 -1.552 640 HB3 GLU 79 1HB GLU 79 -13.962 0.602 -3.162 641 HG2 GLU 79 2HG GLU 79 -13.031 -1.572 -3.653 642 HG3 GLU 79 1HG GLU 79 -12.172 -1.658 -2.147 643 H SER 80 H SER 80 -11.697 2.017 -5.304 644 HA SER 80 HA SER 80 -11.539 4.678 -4.188 645 HB2 SER 80 2HB SER 80 -10.740 5.344 -6.200 646 HB3 SER 80 1HB SER 80 -10.144 3.714 -6.139 647 HG SER 80 HG SER 80 -11.884 3.064 -7.306 648 H LYS 81 H LYS 81 -12.783 6.278 -5.929 649 HA LYS 81 HA LYS 81 -15.517 6.016 -5.181 650 HB2 LYS 81 2HB LYS 81 -14.458 7.690 -7.469 651 HB3 LYS 81 1HB LYS 81 -15.889 7.913 -6.503 652 HG2 LYS 81 2HG LYS 81 -13.063 8.169 -5.451 653 HG3 LYS 81 1HG LYS 81 -14.151 9.496 -5.845 654 HD2 LYS 81 2HD LYS 81 -15.513 7.711 -4.018 655 HD3 LYS 81 1HD LYS 81 -13.924 8.059 -3.400 656 HE2 LYS 81 2HE LYS 81 -14.577 10.598 -4.129 657 HE3 LYS 81 1HE LYS 81 -16.178 9.906 -3.886 658 HZ1 LYS 81 3HZ LYS 81 -15.769 9.477 -1.673 659 HZ2 LYS 81 1HZ LYS 81 -15.111 10.981 -1.940 660 HZ3 LYS 81 2HZ LYS 81 -14.052 9.727 -1.791 661 H LYS 82 H LYS 82 -13.587 5.220 -8.010 662 HA LYS 82 HA LYS 82 -16.016 4.156 -9.360 663 HB2 LYS 82 2HB LYS 82 -13.449 5.113 -10.650 664 HB3 LYS 82 1HB LYS 82 -14.927 4.647 -11.456 665 HG2 LYS 82 2HG LYS 82 -14.704 6.978 -9.526 666 HG3 LYS 82 1HG LYS 82 -14.678 7.117 -11.277 667 HD2 LYS 82 2HD LYS 82 -16.971 6.146 -11.387 668 HD3 LYS 82 1HD LYS 82 -16.978 5.981 -9.641 669 HE2 LYS 82 2HE LYS 82 -18.130 8.037 -10.126 670 HE3 LYS 82 1HE LYS 82 -16.550 8.424 -9.446 671 HZ1 LYS 82 3HZ LYS 82 -16.074 9.565 -11.224 672 HZ2 LYS 82 1HZ LYS 82 -17.544 9.257 -11.934 673 HZ3 LYS 82 2HZ LYS 82 -16.220 8.237 -12.239 674 H LYS 83 H LYS 83 -12.603 3.551 -8.663 675 HA LYS 83 HA LYS 83 -12.964 0.763 -9.627 676 HB2 LYS 83 2HB LYS 83 -10.449 2.435 -9.756 677 HB3 LYS 83 1HB LYS 83 -10.670 0.784 -10.332 678 HG2 LYS 83 2HG LYS 83 -12.239 3.177 -11.377 679 HG3 LYS 83 1HG LYS 83 -10.854 2.465 -12.187 680 HD2 LYS 83 2HD LYS 83 -12.003 0.334 -12.396 681 HD3 LYS 83 1HD LYS 83 -13.420 0.944 -11.550 682 HE2 LYS 83 2HE LYS 83 -13.713 2.681 -13.330 683 HE3 LYS 83 1HE LYS 83 -12.327 2.014 -14.181 684 HZ1 LYS 83 3HZ LYS 83 -15.014 1.143 -14.162 685 HZ2 LYS 83 1HZ LYS 83 -14.053 -0.114 -13.640 686 HZ3 LYS 83 2HZ LYS 83 -13.768 0.598 -15.156 687 H ILE 84 H ILE 84 -11.493 -0.797 -8.741 688 HA ILE 84 HA ILE 84 -11.042 -0.360 -5.862 689 HB ILE 84 HB ILE 84 -11.362 -2.944 -7.441 690 HG12 ILE 84 2HG1 ILE 84 -13.360 -1.661 -5.550 691 HG13 ILE 84 1HG1 ILE 84 -13.421 -1.379 -7.279 692 HG21 ILE 84 1HG2 ILE 84 -10.424 -3.792 -5.580 693 HG22 ILE 84 2HG2 ILE 84 -11.974 -3.448 -4.830 694 HG23 ILE 84 3HG2 ILE 84 -10.646 -2.309 -4.643 695 HD11 ILE 84 3HD1 ILE 84 -14.005 -3.500 -7.774 696 HD12 ILE 84 1HD1 ILE 84 -14.788 -3.339 -6.204 697 HD13 ILE 84 2HD1 ILE 84 -13.245 -4.202 -6.335 698 H ALA 85 H ALA 85 -8.935 -0.421 -5.147 699 HA ALA 85 HA ALA 85 -6.887 -1.169 -7.142 700 HB1 ALA 85 1HB ALA 85 -5.957 0.846 -7.072 701 HB2 ALA 85 2HB ALA 85 -6.075 0.946 -5.312 702 HB3 ALA 85 3HB ALA 85 -7.444 1.407 -6.310 703 H LEU 86 H LEU 86 -4.821 -1.643 -6.358 704 HA LEU 86 HA LEU 86 -4.812 -2.925 -3.708 705 HB2 LEU 86 2HB LEU 86 -4.431 -4.612 -5.205 706 HB3 LEU 86 1HB LEU 86 -3.505 -3.628 -6.322 707 HG LEU 86 HG LEU 86 -1.644 -3.552 -4.596 708 HD11 LEU 86 1HD1 LEU 86 -3.681 -5.112 -3.111 709 HD12 LEU 86 2HD1 LEU 86 -2.483 -3.943 -2.514 710 HD13 LEU 86 3HD1 LEU 86 -1.991 -5.572 -2.936 711 HD21 LEU 86 3HD2 LEU 86 -2.524 -6.360 -5.329 712 HD22 LEU 86 1HD2 LEU 86 -0.887 -5.830 -4.969 713 HD23 LEU 86 2HD2 LEU 86 -1.680 -5.262 -6.432 714 H VAL 87 H VAL 87 -3.452 -2.227 -2.200 715 HA VAL 87 HA VAL 87 -1.369 -0.278 -2.994 716 HB VAL 87 HB VAL 87 -3.056 -0.421 -0.486 717 HG11 VAL 87 1HG1 VAL 87 -1.041 0.215 0.434 718 HG12 VAL 87 2HG1 VAL 87 -1.675 1.786 -0.047 719 HG13 VAL 87 3HG1 VAL 87 -0.470 0.984 -1.045 720 HG21 VAL 87 3HG2 VAL 87 -2.675 1.847 -2.472 721 HG22 VAL 87 1HG2 VAL 87 -3.845 1.763 -1.159 722 HG23 VAL 87 2HG2 VAL 87 -4.009 0.699 -2.557 723 H HIS 88 H HIS 88 0.638 -0.830 -2.560 724 HA HIS 88 HA HIS 88 1.179 -2.967 -0.581 725 HB2 HIS 88 2HB HIS 88 1.264 -3.777 -2.956 726 HB3 HIS 88 1HB HIS 88 2.519 -2.568 -3.218 727 HD1 HIS 88 1HD HIS 88 2.006 -5.984 -1.899 728 HD2 HIS 88 2HD HIS 88 4.920 -3.023 -1.609 729 HE1 HIS 88 1HE HIS 88 4.109 -7.116 -1.020 730 HE2 HIS 88 2HE HIS 88 5.909 -5.348 -0.887 731 H LEU 89 H LEU 89 2.605 -2.356 0.928 732 HA LEU 89 HA LEU 89 4.557 -0.274 0.246 733 HB2 LEU 89 2HB LEU 89 2.769 0.670 1.650 734 HB3 LEU 89 1HB LEU 89 3.134 -0.528 2.887 735 HG LEU 89 HG LEU 89 5.465 1.057 1.862 736 HD11 LEU 89 1HD1 LEU 89 3.240 2.538 2.562 737 HD12 LEU 89 2HD1 LEU 89 4.925 3.049 2.668 738 HD13 LEU 89 3HD1 LEU 89 4.127 2.405 4.088 739 HD21 LEU 89 3HD2 LEU 89 6.402 0.245 3.733 740 HD22 LEU 89 1HD2 LEU 89 4.982 -0.759 3.967 741 HD23 LEU 89 2HD2 LEU 89 5.086 0.803 4.752 742 H GLU 90 H GLU 90 6.579 -0.713 0.700 743 HA GLU 90 HA GLU 90 7.147 -2.885 2.577 744 HB2 GLU 90 2HB GLU 90 8.378 -2.338 -0.092 745 HB3 GLU 90 1HB GLU 90 9.263 -3.214 1.140 746 HG2 GLU 90 2HG GLU 90 7.539 -4.868 1.333 747 HG3 GLU 90 1HG GLU 90 6.453 -3.991 0.289 748 H ALA 91 H ALA 91 8.223 -2.296 4.232 749 HA ALA 91 HA ALA 91 10.082 -0.036 4.046 750 HB1 ALA 91 1HB ALA 91 7.881 0.587 5.218 751 HB2 ALA 91 2HB ALA 91 9.373 0.879 6.114 752 HB3 ALA 91 3HB ALA 91 8.390 -0.531 6.486 753 H LYS 92 H LYS 92 11.844 -0.152 5.476 754 HA LYS 92 HA LYS 92 12.105 -2.788 6.749 755 HB2 LYS 92 2HB LYS 92 14.422 -2.990 6.303 756 HB3 LYS 92 1HB LYS 92 13.602 -2.763 4.771 757 HG2 LYS 92 2HG LYS 92 14.283 -0.366 4.762 758 HG3 LYS 92 1HG LYS 92 15.029 -0.554 6.340 759 HD2 LYS 92 2HD LYS 92 16.529 -2.329 5.382 760 HD3 LYS 92 1HD LYS 92 15.936 -1.984 3.784 761 HE2 LYS 92 2HE LYS 92 17.219 0.035 5.616 762 HE3 LYS 92 1HE LYS 92 18.052 -0.828 4.316 763 HZ1 LYS 92 3HZ LYS 92 16.059 0.215 2.912 764 HZ2 LYS 92 1HZ LYS 92 17.462 1.052 3.290 765 HZ3 LYS 92 2HZ LYS 92 16.104 1.355 4.190 766 H GLU 93 H GLU 93 12.806 -2.976 8.661 767 HA GLU 93 HA GLU 93 12.758 -0.624 10.246 768 HB2 GLU 93 2HB GLU 93 12.228 -3.271 10.761 769 HB3 GLU 93 1HB GLU 93 13.785 -3.017 11.564 770 HG2 GLU 93 2HG GLU 93 11.339 -1.301 11.872 771 HG3 GLU 93 1HG GLU 93 11.882 -2.498 13.020 772 H SER 94 H SER 94 14.320 0.203 11.452 773 HA SER 94 HA SER 94 16.910 0.446 10.321 774 HB2 SER 94 2HB SER 94 16.495 1.198 13.153 775 HB3 SER 94 1HB SER 94 17.125 2.122 11.803 776 HG SER 94 HG SER 94 14.400 1.468 12.390 777 H LYS 95 H LYS 95 16.158 -0.554 13.640 778 HA LYS 95 HA LYS 95 17.671 -2.971 13.291 779 HB2 LYS 95 2HB LYS 95 19.140 -0.870 14.120 780 HB3 LYS 95 1HB LYS 95 18.542 -1.403 15.675 781 HG2 LYS 95 2HG LYS 95 20.509 -2.667 15.387 782 HG3 LYS 95 1HG LYS 95 19.225 -3.784 14.909 783 HD2 LYS 95 2HD LYS 95 19.716 -2.537 12.518 784 HD3 LYS 95 1HD LYS 95 21.313 -2.495 13.245 785 HE2 LYS 95 2HE LYS 95 19.610 -4.982 12.960 786 HE3 LYS 95 1HE LYS 95 20.966 -4.571 11.912 787 HZ1 LYS 95 3HZ LYS 95 22.420 -5.310 13.459 788 HZ2 LYS 95 1HZ LYS 95 21.099 -6.017 14.216 789 HZ3 LYS 95 2HZ LYS 95 21.618 -4.521 14.733 790 H GLN 96 H GLN 96 16.341 -0.892 15.854 791 HA GLN 96 HA GLN 96 14.427 -3.000 16.532 792 HB2 GLN 96 2HB GLN 96 15.617 -1.656 18.910 793 HB3 GLN 96 1HB GLN 96 14.977 -3.273 18.725 794 HG2 GLN 96 2HG GLN 96 17.234 -3.727 18.943 795 HG3 GLN 96 1HG GLN 96 17.116 -3.662 17.195 796 HE21 GLN 96 1HE2 GLN 96 19.531 -3.072 17.431 797 HE22 GLN 96 2HE2 GLN 96 19.883 -1.432 17.702 798 H ASN 97 H ASN 97 14.404 -0.340 15.222 799 HA ASN 97 HA ASN 97 12.979 1.304 17.161 800 HB2 ASN 97 2HB ASN 97 14.601 2.396 15.591 801 HB3 ASN 97 1HB ASN 97 13.512 1.980 14.269 802 HD21 ASN 97 1HD2 ASN 97 13.138 4.328 13.878 803 HD22 ASN 97 2HD2 ASN 97 12.104 5.192 14.904 804 H TYR 98 H TYR 98 10.975 2.244 16.722 805 HA TYR 98 HA TYR 98 9.023 0.280 16.171 806 HB2 TYR 98 2HB TYR 98 8.756 3.233 16.662 807 HB3 TYR 98 1HB TYR 98 7.399 2.107 16.613 808 HD1 TYR 98 1HD TYR 98 10.392 3.156 18.494 809 HD2 TYR 98 2HD TYR 98 7.103 0.389 18.350 810 HE1 TYR 98 1HE TYR 98 10.824 2.512 20.833 811 HE2 TYR 98 2HE TYR 98 7.540 -0.259 20.685 812 HH TYR 98 HH TYR 98 10.234 0.162 22.229 813 H GLN 99 H GLN 99 10.122 3.111 14.322 814 HA GLN 99 HA GLN 99 8.210 2.355 12.232 815 HB2 GLN 99 2HB GLN 99 9.453 5.034 12.833 816 HB3 GLN 99 1HB GLN 99 8.475 4.707 11.406 817 HG2 GLN 99 2HG GLN 99 7.510 4.247 14.249 818 HG3 GLN 99 1HG GLN 99 7.132 5.668 13.291 819 HE21 GLN 99 1HE2 GLN 99 6.693 2.085 13.316 820 HE22 GLN 99 2HE2 GLN 99 5.306 2.131 12.336 821 HA PRO 100 HA PRO 100 11.780 1.057 9.860 822 HB2 PRO 100 2HB PRO 100 10.414 -0.162 7.917 823 HB3 PRO 100 1HB PRO 100 10.543 -0.851 9.554 824 HG2 PRO 100 2HG PRO 100 8.278 0.698 8.373 825 HG3 PRO 100 1HG PRO 100 8.224 -0.789 9.336 826 HD2 PRO 100 2HD PRO 100 7.758 1.663 10.376 827 HD3 PRO 100 1HD PRO 100 8.462 0.338 11.338 828 H ASP 101 H ASP 101 12.521 1.399 7.663 829 HA ASP 101 HA ASP 101 11.883 4.045 6.605 830 HB2 ASP 101 2HB ASP 101 14.275 2.923 6.789 831 HB3 ASP 101 1HB ASP 101 13.719 2.009 5.429 832 H PHE 102 H PHE 102 10.321 4.296 5.031 833 HA PHE 102 HA PHE 102 9.087 2.062 3.766 834 HB2 PHE 102 2HB PHE 102 9.048 4.973 2.919 835 HB3 PHE 102 1HB PHE 102 7.965 3.697 2.375 836 HD1 PHE 102 1HD PHE 102 6.571 2.470 4.126 837 HD2 PHE 102 2HD PHE 102 8.565 6.192 4.884 838 HE1 PHE 102 1HE PHE 102 5.062 2.890 6.040 839 HE2 PHE 102 2HE PHE 102 7.074 6.609 6.813 840 HZ PHE 102 HZ PHE 102 5.319 4.968 7.392 841 H ILE 103 H ILE 103 10.548 0.849 2.665 842 HA ILE 103 HA ILE 103 12.586 1.865 0.943 843 HB ILE 103 HB ILE 103 11.295 -0.871 1.148 844 HG12 ILE 103 2HG1 ILE 103 14.046 0.072 2.119 845 HG13 ILE 103 1HG1 ILE 103 12.610 -0.003 3.137 846 HG21 ILE 103 1HG2 ILE 103 13.276 -1.646 -0.141 847 HG22 ILE 103 2HG2 ILE 103 13.795 0.021 -0.339 848 HG23 ILE 103 3HG2 ILE 103 12.305 -0.530 -1.095 849 HD11 ILE 103 3HD1 ILE 103 13.391 -2.417 1.549 850 HD12 ILE 103 1HD1 ILE 103 12.481 -2.287 3.058 851 HD13 ILE 103 2HD1 ILE 103 14.222 -2.002 3.027 852 H ASN 104 H ASN 104 9.356 0.507 0.506 853 HA ASN 104 HA ASN 104 9.088 1.912 -2.047 854 HB2 ASN 104 2HB ASN 104 10.130 -0.377 -2.474 855 HB3 ASN 104 1HB ASN 104 8.609 -1.058 -1.899 856 HD21 ASN 104 1HD2 ASN 104 9.955 -0.812 -4.698 857 HD22 ASN 104 2HD2 ASN 104 8.686 -0.264 -5.684 858 H MET 105 H MET 105 6.941 2.034 -2.716 859 HA MET 105 HA MET 105 4.897 0.639 -1.487 860 HB2 MET 105 2HB MET 105 4.103 1.929 0.175 861 HB3 MET 105 1HB MET 105 5.615 2.809 0.098 862 HG2 MET 105 2HG MET 105 3.889 4.449 -0.037 863 HG3 MET 105 1HG MET 105 4.504 4.287 -1.672 864 HE1 MET 105 3HE MET 105 1.457 3.948 0.713 865 HE2 MET 105 1HE MET 105 2.220 2.349 0.733 866 HE3 MET 105 2HE MET 105 0.619 2.540 0.070 867 H TYR 106 H TYR 106 3.312 0.436 -2.916 868 HA TYR 106 HA TYR 106 2.963 2.551 -4.911 869 HB2 TYR 106 2HB TYR 106 3.111 0.954 -6.774 870 HB3 TYR 106 1HB TYR 106 4.611 1.072 -5.866 871 HD1 TYR 106 2HD TYR 106 5.412 -0.792 -4.485 872 HD2 TYR 106 1HD TYR 106 1.697 -1.073 -6.651 873 HE1 TYR 106 2HE TYR 106 5.373 -3.225 -4.109 874 HE2 TYR 106 1HE TYR 106 1.672 -3.510 -6.288 875 HH TYR 106 HH TYR 106 3.488 -5.038 -4.003 876 H VAL 107 H VAL 107 1.146 2.282 -6.272 877 HA VAL 107 HA VAL 107 -1.048 0.818 -4.946 878 HB VAL 107 HB VAL 107 -1.003 3.562 -6.226 879 HG11 VAL 107 1HG1 VAL 107 -3.409 3.667 -5.649 880 HG12 VAL 107 2HG1 VAL 107 -3.370 1.940 -5.274 881 HG13 VAL 107 3HG1 VAL 107 -3.045 2.502 -6.915 882 HG21 VAL 107 3HG2 VAL 107 -2.145 3.843 -3.763 883 HG22 VAL 107 1HG2 VAL 107 -0.418 4.025 -4.058 884 HG23 VAL 107 2HG2 VAL 107 -1.042 2.503 -3.454 885 H ASP 108 H ASP 108 -1.953 -0.638 -6.242 886 HA ASP 108 HA ASP 108 -1.386 -0.518 -9.127 887 HB2 ASP 108 2HB ASP 108 -0.828 -2.643 -7.652 888 HB3 ASP 108 1HB ASP 108 -2.545 -2.864 -7.696 889 H VAL 109 H VAL 109 -2.966 0.506 -10.180 890 HA VAL 109 HA VAL 109 -5.758 -0.012 -9.402 891 HB VAL 109 HB VAL 109 -4.768 2.319 -11.049 892 HG11 VAL 109 1HG1 VAL 109 -6.923 3.317 -10.306 893 HG12 VAL 109 2HG1 VAL 109 -7.337 1.799 -9.521 894 HG13 VAL 109 3HG1 VAL 109 -7.144 1.866 -11.274 895 HG21 VAL 109 3HG2 VAL 109 -3.872 3.170 -9.156 896 HG22 VAL 109 1HG2 VAL 109 -4.473 1.831 -8.183 897 HG23 VAL 109 2HG2 VAL 109 -5.499 3.225 -8.475 898 HA PRO 110 HA PRO 110 -5.899 -2.282 -13.277 899 HB2 PRO 110 2HB PRO 110 -8.564 -2.636 -13.442 900 HB3 PRO 110 1HB PRO 110 -7.558 -3.525 -12.285 901 HG2 PRO 110 2HG PRO 110 -9.228 -1.092 -11.787 902 HG3 PRO 110 1HG PRO 110 -9.088 -2.569 -10.806 903 HD2 PRO 110 2HD PRO 110 -7.777 -0.325 -10.168 904 HD3 PRO 110 1HD PRO 110 -7.075 -1.921 -9.862 905 H GLY 111 H GLY 111 -6.176 -1.649 -15.401 906 HA2 GLY 111 2HA GLY 111 -6.833 -0.424 -17.248 907 HA3 GLY 111 1HA GLY 111 -7.964 0.472 -16.230 908 H GLU 112 H GLU 112 -5.654 0.944 -14.278 909 HA GLU 112 HA GLU 112 -4.503 3.118 -15.813 910 HB2 GLU 112 2HB GLU 112 -5.162 2.981 -12.902 911 HB3 GLU 112 1HB GLU 112 -4.051 4.175 -13.537 912 HG2 GLU 112 2HG GLU 112 -6.889 3.773 -14.506 913 HG3 GLU 112 1HG GLU 112 -6.364 5.059 -13.424 914 H LYS 113 H LYS 113 -2.483 3.887 -15.265 915 HA LYS 113 HA LYS 113 -0.555 1.794 -15.488 916 HB2 LYS 113 2HB LYS 113 -0.261 4.801 -15.267 917 HB3 LYS 113 1HB LYS 113 1.068 3.701 -15.549 918 HG2 LYS 113 2HG LYS 113 0.459 4.332 -17.737 919 HG3 LYS 113 1HG LYS 113 -0.305 2.766 -17.539 920 HD2 LYS 113 2HD LYS 113 -2.035 5.010 -16.660 921 HD3 LYS 113 1HD LYS 113 -1.569 5.092 -18.345 922 HE2 LYS 113 2HE LYS 113 -2.447 2.974 -18.871 923 HE3 LYS 113 1HE LYS 113 -2.598 2.479 -17.217 924 HZ1 LYS 113 3HZ LYS 113 -4.259 4.531 -17.047 925 HZ2 LYS 113 1HZ LYS 113 -4.771 3.076 -17.754 926 HZ3 LYS 113 2HZ LYS 113 -4.303 4.344 -18.730 927 H ARG 114 H ARG 114 0.887 1.091 -14.042 928 HA ARG 114 HA ARG 114 0.237 1.090 -11.351 929 HB2 ARG 114 2HB ARG 114 2.069 -0.217 -10.952 930 HB3 ARG 114 1HB ARG 114 1.912 -0.458 -12.690 931 HG2 ARG 114 2HG ARG 114 3.782 1.622 -11.422 932 HG3 ARG 114 1HG ARG 114 4.241 -0.003 -11.873 933 HD2 ARG 114 2HD ARG 114 3.634 0.391 -14.209 934 HD3 ARG 114 1HD ARG 114 3.108 2.029 -13.804 935 HE ARG 114 HE ARG 114 5.765 1.729 -12.940 936 HH11 ARG 114 1HH2 ARG 114 3.935 1.723 -15.901 937 HH12 ARG 114 2HH2 ARG 114 5.180 2.365 -16.870 938 HH21 ARG 114 1HH1 ARG 114 7.462 2.596 -14.201 939 HH22 ARG 114 2HH1 ARG 114 7.239 2.879 -15.866 940 H TYR 115 H TYR 115 0.902 2.160 -9.514 941 HA TYR 115 HA TYR 115 2.419 4.660 -9.987 942 HB2 TYR 115 2HB TYR 115 -0.029 5.017 -9.759 943 HB3 TYR 115 1HB TYR 115 0.035 4.265 -8.173 944 HD1 TYR 115 1HD TYR 115 1.159 7.169 -10.180 945 HD2 TYR 115 2HD TYR 115 0.906 5.454 -6.250 946 HE1 TYR 115 1HE TYR 115 1.761 9.339 -9.202 947 HE2 TYR 115 2HE TYR 115 1.512 7.642 -5.271 948 HH TYR 115 HH TYR 115 1.123 10.208 -6.351 949 H TYR 116 H TYR 116 4.206 4.692 -8.826 950 HA TYR 116 HA TYR 116 4.331 3.191 -6.291 951 HB2 TYR 116 2HB TYR 116 6.485 4.072 -8.219 952 HB3 TYR 116 1HB TYR 116 6.852 3.667 -6.547 953 HD1 TYR 116 1HD TYR 116 5.000 2.293 -9.519 954 HD2 TYR 116 2HD TYR 116 7.217 1.440 -5.941 955 HE1 TYR 116 1HE TYR 116 4.917 -0.123 -10.036 956 HE2 TYR 116 2HE TYR 116 7.130 -0.981 -6.461 957 HH TYR 116 HH TYR 116 5.019 -2.260 -8.676 958 H LEU 117 H LEU 117 3.525 4.458 -4.814 959 HA LEU 117 HA LEU 117 3.759 7.261 -4.717 960 HB2 LEU 117 2HB LEU 117 1.967 6.134 -3.550 961 HB3 LEU 117 1HB LEU 117 3.097 5.287 -2.520 962 HG LEU 117 HG LEU 117 3.892 7.465 -1.609 963 HD11 LEU 117 1HD1 LEU 117 3.432 8.916 -3.511 964 HD12 LEU 117 2HD1 LEU 117 2.613 9.493 -2.076 965 HD13 LEU 117 3HD1 LEU 117 1.694 8.632 -3.322 966 HD21 LEU 117 3HD2 LEU 117 2.325 7.342 -0.041 967 HD22 LEU 117 1HD2 LEU 117 1.513 6.132 -1.026 968 HD23 LEU 117 2HD2 LEU 117 1.032 7.827 -1.148 969 H ILE 118 H ILE 118 5.619 4.658 -3.230 970 HA ILE 118 HA ILE 118 7.589 6.704 -2.440 971 HB ILE 118 HB ILE 118 6.941 4.082 -1.061 972 HG12 ILE 118 2HG1 ILE 118 6.777 6.956 -0.069 973 HG13 ILE 118 1HG1 ILE 118 5.396 6.045 -0.658 974 HG21 ILE 118 1HG2 ILE 118 8.640 5.030 0.643 975 HG22 ILE 118 2HG2 ILE 118 9.185 6.076 -0.655 976 HG23 ILE 118 3HG2 ILE 118 9.294 4.320 -0.830 977 HD11 ILE 118 3HD1 ILE 118 5.168 5.472 1.541 978 HD12 ILE 118 1HD1 ILE 118 6.853 5.821 1.894 979 HD13 ILE 118 2HD1 ILE 118 6.414 4.280 1.170 980 H LYS 119 H LYS 119 9.314 6.618 -3.517 981 HA LYS 119 HA LYS 119 9.733 4.503 -5.390 982 HB2 LYS 119 2HB LYS 119 11.754 6.647 -5.370 983 HB3 LYS 119 1HB LYS 119 10.789 6.024 -6.692 984 HG2 LYS 119 2HG LYS 119 9.830 8.002 -4.560 985 HG3 LYS 119 1HG LYS 119 10.219 8.360 -6.209 986 HD2 LYS 119 2HD LYS 119 8.456 6.870 -7.043 987 HD3 LYS 119 1HD LYS 119 7.961 6.465 -5.420 988 HE2 LYS 119 2HE LYS 119 7.911 9.252 -6.637 989 HE3 LYS 119 1HE LYS 119 6.514 8.238 -6.313 990 HZ1 LYS 119 3HZ LYS 119 7.034 9.978 -4.627 991 HZ2 LYS 119 1HZ LYS 119 8.376 9.114 -4.124 992 HZ3 LYS 119 2HZ LYS 119 6.790 8.476 -3.991 993 HA PRO 120 HA PRO 120 12.811 2.541 -2.688 994 HB2 PRO 120 2HB PRO 120 13.465 0.561 -4.399 995 HB3 PRO 120 1HB PRO 120 11.961 0.540 -3.462 996 HG2 PRO 120 2HG PRO 120 12.364 1.398 -6.298 997 HG3 PRO 120 1HG PRO 120 11.111 0.334 -5.652 998 HD2 PRO 120 2HD PRO 120 10.599 2.901 -6.169 999 HD3 PRO 120 1HD PRO 120 9.893 2.130 -4.736 1000 H LYS 121 H LYS 121 14.981 2.649 -2.585 1001 HA LYS 121 HA LYS 121 16.291 4.496 -4.274 1002 HB2 LYS 121 2HB LYS 121 18.371 3.636 -2.987 1003 HB3 LYS 121 1HB LYS 121 17.126 4.520 -2.116 1004 HG2 LYS 121 2HG LYS 121 16.616 1.606 -2.248 1005 HG3 LYS 121 1HG LYS 121 18.088 1.985 -1.407 1006 HD2 LYS 121 2HD LYS 121 15.396 3.262 -0.762 1007 HD3 LYS 121 1HD LYS 121 16.081 1.921 0.127 1008 HE2 LYS 121 2HE LYS 121 16.813 4.807 0.190 1009 HE3 LYS 121 1HE LYS 121 16.890 3.596 1.455 1010 HZ1 LYS 121 3HZ LYS 121 18.868 2.677 0.003 1011 HZ2 LYS 121 1HZ LYS 121 19.086 3.991 1.031 1012 HZ3 LYS 121 2HZ LYS 121 18.876 4.264 -0.597 1013 H LEU 122 H LEU 122 15.342 2.706 -6.009 1014 HA LEU 122 HA LEU 122 17.151 0.649 -6.781 1015 HB2 LEU 122 2HB LEU 122 15.149 2.262 -8.370 1016 HB3 LEU 122 1HB LEU 122 16.050 0.904 -9.040 1017 HG LEU 122 HG LEU 122 14.263 0.722 -6.591 1018 HD11 LEU 122 1HD1 LEU 122 13.755 0.122 -9.512 1019 HD12 LEU 122 2HD1 LEU 122 12.786 1.090 -8.409 1020 HD13 LEU 122 3HD1 LEU 122 12.841 -0.660 -8.228 1021 HD21 LEU 122 3HD2 LEU 122 15.811 -1.300 -8.240 1022 HD22 LEU 122 1HD2 LEU 122 14.470 -1.748 -7.191 1023 HD23 LEU 122 2HD2 LEU 122 15.902 -0.999 -6.501 1024 H HIS 123 H HIS 123 16.783 4.051 -7.575 1025 HA HIS 123 HA HIS 123 19.575 4.155 -8.301 1026 HB2 HIS 123 2HB HIS 123 17.381 4.955 -10.214 1027 HB3 HIS 123 1HB HIS 123 19.050 5.489 -10.378 1028 HD1 HIS 123 1HD HIS 123 16.901 2.428 -10.625 1029 HD2 HIS 123 2HD HIS 123 20.916 3.477 -11.123 1030 HE1 HIS 123 1HE HIS 123 18.058 0.427 -11.705 1031 HE2 HIS 123 2HE HIS 123 20.508 1.084 -12.025 1032 HA PRO 124 HA PRO 124 18.957 7.933 -5.975 1033 HB2 PRO 124 2HB PRO 124 21.484 8.899 -6.273 1034 HB3 PRO 124 1HB PRO 124 21.067 7.594 -5.133 1035 HG2 PRO 124 2HG PRO 124 22.334 7.404 -7.822 1036 HG3 PRO 124 1HG PRO 124 22.679 6.508 -6.343 1037 HD2 PRO 124 2HD PRO 124 21.224 5.440 -8.335 1038 HD3 PRO 124 1HD PRO 124 20.963 5.008 -6.630 1039 H VAL 125 H VAL 125 19.225 10.307 -6.452 1040 HA VAL 125 HA VAL 125 18.099 10.972 -8.949 1041 HB VAL 125 HB VAL 125 19.577 12.700 -6.954 1042 HG11 VAL 125 1HG1 VAL 125 19.539 14.059 -8.840 1043 HG12 VAL 125 2HG1 VAL 125 18.016 14.486 -8.075 1044 HG13 VAL 125 3HG1 VAL 125 18.027 13.377 -9.446 1045 HG21 VAL 125 3HG2 VAL 125 17.628 11.690 -5.923 1046 HG22 VAL 125 1HG2 VAL 125 16.645 12.021 -7.348 1047 HG23 VAL 125 2HG2 VAL 125 17.192 13.344 -6.334 1048 H SER 126 H SER 126 21.399 11.340 -7.731 1049 HA SER 126 HA SER 126 22.476 11.961 -10.399 1050 HB2 SER 126 2HB SER 126 23.901 11.324 -7.823 1051 HB3 SER 126 1HB SER 126 24.622 12.093 -9.232 1052 HG SER 126 HG SER 126 24.120 13.662 -7.779 1053 H ASN 127 H ASN 127 23.293 10.547 -11.777 1054 HA ASN 127 HA ASN 127 23.609 7.758 -10.841 1055 HB2 ASN 127 2HB ASN 127 22.068 8.734 -13.250 1056 HB3 ASN 127 1HB ASN 127 22.662 7.099 -13.084 1057 HD21 ASN 127 1HD2 ASN 127 21.999 7.963 -9.935 1058 HD22 ASN 127 2HD2 ASN 127 20.395 7.464 -9.847 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.298 0.902 21.209 2 HA2 GLY 1 2HA GLY 1 9.099 0.904 18.554 3 HA3 GLY 1 1HA GLY 1 8.868 -0.780 19.036 4 H ALA 2 H ALA 2 7.201 -0.096 17.175 5 HA ALA 2 HA ALA 2 4.773 1.117 18.172 6 HB1 ALA 2 1HB ALA 2 3.842 0.402 15.987 7 HB2 ALA 2 2HB ALA 2 5.391 -0.348 15.589 8 HB3 ALA 2 3HB ALA 2 5.283 1.399 15.818 9 H MET 3 H MET 3 4.436 -0.194 19.967 10 HA MET 3 HA MET 3 4.391 -2.736 20.551 11 HB2 MET 3 2HB MET 3 2.043 -0.882 20.940 12 HB3 MET 3 1HB MET 3 2.192 -2.454 21.726 13 HG2 MET 3 2HG MET 3 3.726 -1.720 23.189 14 HG3 MET 3 1HG MET 3 4.642 -0.832 21.989 15 HE1 MET 3 3HE MET 3 4.585 1.254 21.372 16 HE2 MET 3 1HE MET 3 3.688 2.605 22.075 17 HE3 MET 3 2HE MET 3 2.968 1.614 20.820 18 H GLY 4 H GLY 4 1.440 -1.536 18.970 19 HA2 GLY 4 2HA GLY 4 1.310 -4.056 17.426 20 HA3 GLY 4 1HA GLY 4 -0.080 -3.526 18.360 21 H SER 5 H SER 5 0.656 -0.644 17.687 22 HA SER 5 HA SER 5 -1.057 -0.476 15.419 23 HB2 SER 5 2HB SER 5 0.448 1.908 16.398 24 HB3 SER 5 1HB SER 5 -1.208 1.741 15.873 25 HG SER 5 HG SER 5 -1.781 0.938 17.807 26 H GLY 6 H GLY 6 2.155 -1.194 15.503 27 HA2 GLY 6 2HA GLY 6 3.507 0.519 13.828 28 HA3 GLY 6 1HA GLY 6 3.793 -1.214 13.856 29 H ASP 7 H ASP 7 1.843 -2.429 12.696 30 HA ASP 7 HA ASP 7 2.018 -1.814 9.928 31 HB2 ASP 7 2HB ASP 7 0.022 -3.398 9.788 32 HB3 ASP 7 1HB ASP 7 1.551 -4.052 10.342 33 H THR 8 H THR 8 -0.385 -1.221 12.326 34 HA THR 8 HA THR 8 -2.392 -0.105 10.685 35 HB THR 8 HB THR 8 -1.753 0.666 13.539 36 HG1 THR 8 1HG THR 8 -1.953 -1.723 12.790 37 HG21 THR 8 3HG2 THR 8 -3.474 2.021 12.692 38 HG22 THR 8 1HG2 THR 8 -4.284 0.777 13.620 39 HG23 THR 8 2HG2 THR 8 -4.278 0.698 11.850 40 H GLN 9 H GLN 9 0.289 1.373 12.482 41 HA GLN 9 HA GLN 9 -0.204 4.012 11.640 42 HB2 GLN 9 2HB GLN 9 2.054 2.579 12.941 43 HB3 GLN 9 1HB GLN 9 2.419 4.102 12.160 44 HG2 GLN 9 2HG GLN 9 0.019 3.973 13.960 45 HG3 GLN 9 1HG GLN 9 1.639 4.052 14.640 46 HE21 GLN 9 1HE2 GLN 9 -0.146 5.773 11.939 47 HE22 GLN 9 2HE2 GLN 9 0.479 7.269 12.360 48 H LEU 10 H LEU 10 1.985 1.476 10.435 49 HA LEU 10 HA LEU 10 3.022 3.055 8.321 50 HB2 LEU 10 2HB LEU 10 2.719 0.050 8.503 51 HB3 LEU 10 1HB LEU 10 3.625 0.894 7.255 52 HG LEU 10 HG LEU 10 4.224 0.782 10.228 53 HD11 LEU 10 1HD1 LEU 10 6.168 0.319 8.074 54 HD12 LEU 10 2HD1 LEU 10 4.982 -0.952 8.417 55 HD13 LEU 10 3HD1 LEU 10 6.079 -0.386 9.685 56 HD21 LEU 10 3HD2 LEU 10 5.119 2.780 8.166 57 HD22 LEU 10 1HD2 LEU 10 6.265 2.223 9.377 58 HD23 LEU 10 2HD2 LEU 10 4.784 3.017 9.884 59 H PHE 11 H PHE 11 0.246 0.902 8.640 60 HA PHE 11 HA PHE 11 -0.672 1.010 5.992 61 HB2 PHE 11 2HB PHE 11 -1.633 -0.594 7.440 62 HB3 PHE 11 1HB PHE 11 -2.093 0.616 8.618 63 HD1 PHE 11 1HD PHE 11 -2.752 -0.428 5.056 64 HD2 PHE 11 2HD PHE 11 -4.171 1.723 8.513 65 HE1 PHE 11 1HE PHE 11 -4.915 -0.048 3.950 66 HE2 PHE 11 2HE PHE 11 -6.341 2.077 7.392 67 HZ PHE 11 HZ PHE 11 -6.715 1.203 5.129 68 H ASN 12 H ASN 12 -1.521 3.052 8.805 69 HA ASN 12 HA ASN 12 -3.280 4.686 7.316 70 HB2 ASN 12 2HB ASN 12 -1.664 5.484 9.767 71 HB3 ASN 12 1HB ASN 12 -2.878 6.444 9.007 72 HD21 ASN 12 1HD2 ASN 12 -2.497 3.814 11.163 73 HD22 ASN 12 2HD2 ASN 12 -4.154 3.476 11.394 74 H ARG 13 H ARG 13 0.149 4.877 8.036 75 HA ARG 13 HA ARG 13 0.635 7.296 6.679 76 HB2 ARG 13 2HB ARG 13 2.348 4.919 7.392 77 HB3 ARG 13 1HB ARG 13 2.983 6.308 6.523 78 HG2 ARG 13 2HG ARG 13 2.421 7.828 8.311 79 HG3 ARG 13 1HG ARG 13 1.489 6.602 9.143 80 HD2 ARG 13 2HD ARG 13 3.314 5.488 9.912 81 HD3 ARG 13 1HD ARG 13 4.347 5.943 8.596 82 HE ARG 13 HE ARG 13 4.865 7.957 9.684 83 HH11 ARG 13 1HH2 ARG 13 2.378 6.246 11.369 84 HH12 ARG 13 2HH2 ARG 13 2.560 7.141 12.834 85 HH21 ARG 13 1HH1 ARG 13 5.127 9.137 11.609 86 HH22 ARG 13 2HH1 ARG 13 4.133 8.804 12.963 87 H ALA 14 H ALA 14 0.777 3.903 5.570 88 HA ALA 14 HA ALA 14 1.467 4.582 2.898 89 HB1 ALA 14 1HB ALA 14 -0.118 2.172 3.818 90 HB2 ALA 14 2HB ALA 14 1.645 2.250 3.823 91 HB3 ALA 14 3HB ALA 14 0.753 2.336 2.298 92 H VAL 15 H VAL 15 -1.683 3.811 4.359 93 HA VAL 15 HA VAL 15 -3.127 4.264 2.020 94 HB VAL 15 HB VAL 15 -3.727 3.096 4.325 95 HG11 VAL 15 1HG1 VAL 15 -5.238 5.687 4.586 96 HG12 VAL 15 2HG1 VAL 15 -3.790 5.297 5.517 97 HG13 VAL 15 3HG1 VAL 15 -5.239 4.304 5.689 98 HG21 VAL 15 3HG2 VAL 15 -5.422 4.204 2.132 99 HG22 VAL 15 1HG2 VAL 15 -6.245 3.587 3.565 100 HG23 VAL 15 2HG2 VAL 15 -5.176 2.540 2.665 101 H SER 16 H SER 16 -2.328 6.464 4.735 102 HA SER 16 HA SER 16 -3.987 8.567 3.917 103 HB2 SER 16 2HB SER 16 -1.411 8.642 5.518 104 HB3 SER 16 1HB SER 16 -2.590 9.919 5.453 105 HG SER 16 HG SER 16 -2.716 7.342 6.473 106 H MET 17 H MET 17 -0.598 7.776 3.212 107 HA MET 17 HA MET 17 -0.155 10.125 1.708 108 HB2 MET 17 2HB MET 17 1.257 7.460 1.546 109 HB3 MET 17 1HB MET 17 1.791 8.954 0.770 110 HG2 MET 17 2HG MET 17 1.733 10.023 3.096 111 HG3 MET 17 1HG MET 17 1.494 8.478 3.749 112 HE1 MET 17 3HE MET 17 3.047 6.381 2.147 113 HE2 MET 17 1HE MET 17 3.018 6.563 3.910 114 HE3 MET 17 2HE MET 17 4.543 6.342 3.069 115 H VAL 18 H VAL 18 -1.178 6.851 0.740 116 HA VAL 18 HA VAL 18 -1.191 7.562 -2.012 117 HB VAL 18 HB VAL 18 -2.259 5.384 -2.428 118 HG11 VAL 18 1HG1 VAL 18 -0.413 4.029 -1.607 119 HG12 VAL 18 2HG1 VAL 18 0.011 5.260 -0.426 120 HG13 VAL 18 3HG1 VAL 18 0.215 5.584 -2.141 121 HG21 VAL 18 3HG2 VAL 18 -3.714 4.951 -0.633 122 HG22 VAL 18 1HG2 VAL 18 -2.536 5.476 0.557 123 HG23 VAL 18 2HG2 VAL 18 -2.350 3.914 -0.225 124 H GLU 19 H GLU 19 -3.849 7.203 0.357 125 HA GLU 19 HA GLU 19 -5.956 7.533 -1.482 126 HB2 GLU 19 2HB GLU 19 -5.786 8.334 1.431 127 HB3 GLU 19 1HB GLU 19 -7.255 8.360 0.449 128 HG2 GLU 19 2HG GLU 19 -7.119 5.946 0.123 129 HG3 GLU 19 1HG GLU 19 -5.609 5.888 0.996 130 H LYS 20 H LYS 20 -4.041 9.831 0.318 131 HA LYS 20 HA LYS 20 -5.636 12.075 -0.580 132 HB2 LYS 20 2HB LYS 20 -3.099 12.151 1.065 133 HB3 LYS 20 1HB LYS 20 -4.375 13.357 1.001 134 HG2 LYS 20 2HG LYS 20 -4.792 10.512 2.015 135 HG3 LYS 20 1HG LYS 20 -4.519 11.905 3.046 136 HD2 LYS 20 2HD LYS 20 -6.684 12.500 2.929 137 HD3 LYS 20 1HD LYS 20 -6.659 12.501 1.176 138 HE2 LYS 20 2HE LYS 20 -8.324 10.853 2.000 139 HE3 LYS 20 1HE LYS 20 -7.012 10.112 1.124 140 HZ1 LYS 20 3HZ LYS 20 -5.959 9.871 3.512 141 HZ2 LYS 20 1HZ LYS 20 -7.105 8.744 2.993 142 HZ3 LYS 20 2HZ LYS 20 -7.558 9.995 4.016 143 H ASN 21 H ASN 21 -3.086 10.365 -1.849 144 HA ASN 21 HA ASN 21 -1.556 12.462 -3.046 145 HB2 ASN 21 2HB ASN 21 -0.560 10.293 -2.784 146 HB3 ASN 21 1HB ASN 21 -1.814 9.521 -3.728 147 HD21 ASN 21 1HD2 ASN 21 1.328 10.490 -3.963 148 HD22 ASN 21 2HD2 ASN 21 1.400 10.809 -5.621 149 H LYS 22 H LYS 22 -2.118 13.722 -4.620 150 HA LYS 22 HA LYS 22 -4.640 13.753 -5.761 151 HB2 LYS 22 2HB LYS 22 -3.829 15.430 -7.336 152 HB3 LYS 22 1HB LYS 22 -3.240 15.766 -5.716 153 HG2 LYS 22 2HG LYS 22 -1.600 14.342 -7.873 154 HG3 LYS 22 1HG LYS 22 -1.500 16.050 -7.505 155 HD2 LYS 22 2HD LYS 22 -1.113 15.230 -5.020 156 HD3 LYS 22 1HD LYS 22 -0.581 13.740 -5.806 157 HE2 LYS 22 2HE LYS 22 0.505 16.529 -6.280 158 HE3 LYS 22 1HE LYS 22 1.275 15.223 -5.393 159 HZ1 LYS 22 3HZ LYS 22 1.853 14.144 -7.278 160 HZ2 LYS 22 1HZ LYS 22 1.778 15.675 -7.917 161 HZ3 LYS 22 2HZ LYS 22 0.503 14.597 -8.188 162 H ASP 23 H ASP 23 -1.675 12.483 -7.203 163 HA ASP 23 HA ASP 23 -2.910 11.850 -9.684 164 HB2 ASP 23 2HB ASP 23 -0.381 11.998 -9.184 165 HB3 ASP 23 1HB ASP 23 -0.550 10.365 -8.562 166 H ILE 24 H ILE 24 -2.293 10.028 -6.738 167 HA ILE 24 HA ILE 24 -3.550 7.644 -7.656 168 HB ILE 24 HB ILE 24 -3.026 8.624 -4.847 169 HG12 ILE 24 2HG1 ILE 24 -1.745 6.379 -6.440 170 HG13 ILE 24 1HG1 ILE 24 -1.072 7.999 -6.399 171 HG21 ILE 24 1HG2 ILE 24 -4.324 6.130 -5.919 172 HG22 ILE 24 2HG2 ILE 24 -4.780 7.103 -4.517 173 HG23 ILE 24 3HG2 ILE 24 -3.375 6.052 -4.435 174 HD11 ILE 24 3HD1 ILE 24 -1.746 6.794 -3.793 175 HD12 ILE 24 1HD1 ILE 24 -0.357 7.786 -4.229 176 HD13 ILE 24 2HD1 ILE 24 -0.388 6.066 -4.639 177 H ARG 25 H ARG 25 -4.711 10.480 -5.846 178 HA ARG 25 HA ARG 25 -7.378 9.661 -5.483 179 HB2 ARG 25 2HB ARG 25 -6.118 12.314 -5.974 180 HB3 ARG 25 1HB ARG 25 -7.855 12.222 -5.937 181 HG2 ARG 25 2HG ARG 25 -7.694 11.219 -3.626 182 HG3 ARG 25 1HG ARG 25 -5.944 11.390 -3.705 183 HD2 ARG 25 2HD ARG 25 -6.065 13.768 -3.850 184 HD3 ARG 25 1HD ARG 25 -7.802 13.758 -4.105 185 HE ARG 25 HE ARG 25 -7.377 12.551 -1.640 186 HH11 ARG 25 1HH2 ARG 25 -6.576 15.606 -3.148 187 HH12 ARG 25 2HH2 ARG 25 -6.798 16.537 -1.726 188 HH21 ARG 25 1HH1 ARG 25 -7.728 13.821 0.272 189 HH22 ARG 25 2HH1 ARG 25 -7.468 15.506 0.242 190 H SER 26 H SER 26 -5.764 11.177 -8.186 191 HA SER 26 HA SER 26 -8.004 11.334 -9.895 192 HB2 SER 26 2HB SER 26 -5.079 11.062 -10.509 193 HB3 SER 26 1HB SER 26 -6.288 11.593 -11.685 194 HG SER 26 HG SER 26 -5.343 12.757 -9.270 195 H LEU 27 H LEU 27 -5.579 8.799 -9.334 196 HA LEU 27 HA LEU 27 -6.597 6.919 -11.246 197 HB2 LEU 27 2HB LEU 27 -5.018 6.464 -8.687 198 HB3 LEU 27 1HB LEU 27 -5.392 5.226 -9.875 199 HG LEU 27 HG LEU 27 -3.865 7.761 -10.493 200 HD11 LEU 27 1HD1 LEU 27 -2.004 6.785 -9.773 201 HD12 LEU 27 2HD1 LEU 27 -2.284 5.374 -10.788 202 HD13 LEU 27 3HD1 LEU 27 -2.942 5.429 -9.166 203 HD21 LEU 27 3HD2 LEU 27 -4.361 7.196 -12.636 204 HD22 LEU 27 1HD2 LEU 27 -5.039 5.640 -12.171 205 HD23 LEU 27 2HD2 LEU 27 -3.312 5.806 -12.431 206 H LEU 28 H LEU 28 -7.228 7.592 -7.861 207 HA LEU 28 HA LEU 28 -9.162 5.461 -7.555 208 HB2 LEU 28 2HB LEU 28 -8.455 7.777 -5.736 209 HB3 LEU 28 1HB LEU 28 -9.538 6.482 -5.276 210 HG LEU 28 HG LEU 28 -6.617 6.144 -6.048 211 HD11 LEU 28 1HD1 LEU 28 -6.785 7.249 -3.903 212 HD12 LEU 28 2HD1 LEU 28 -6.374 5.566 -3.615 213 HD13 LEU 28 3HD1 LEU 28 -8.019 6.120 -3.354 214 HD21 LEU 28 3HD2 LEU 28 -6.900 3.846 -5.254 215 HD22 LEU 28 1HD2 LEU 28 -8.035 4.136 -6.566 216 HD23 LEU 28 2HD2 LEU 28 -8.588 4.136 -4.876 217 H GLN 29 H GLN 29 -9.276 8.259 -9.175 218 HA GLN 29 HA GLN 29 -10.933 9.642 -9.961 219 HB2 GLN 29 2HB GLN 29 -12.772 7.459 -8.925 220 HB3 GLN 29 1HB GLN 29 -13.228 8.730 -10.039 221 HG2 GLN 29 2HG GLN 29 -11.100 6.626 -10.561 222 HG3 GLN 29 1HG GLN 29 -12.732 6.612 -11.206 223 HE21 GLN 29 1HE2 GLN 29 -9.719 7.276 -12.220 224 HE22 GLN 29 2HE2 GLN 29 -10.031 8.517 -13.322 225 H CYS 30 H CYS 30 -9.952 9.801 -7.199 226 HA CYS 30 HA CYS 30 -12.121 10.497 -5.462 227 HB2 CYS 30 2HB CYS 30 -9.525 9.932 -4.951 228 HB3 CYS 30 1HB CYS 30 -9.469 11.693 -4.932 229 HG CYS 30 HG CYS 30 -10.450 11.569 -2.688 230 H ASP 31 H ASP 31 -12.655 11.786 -7.749 231 HA ASP 31 HA ASP 31 -11.713 14.525 -7.681 232 HB2 ASP 31 2HB ASP 31 -13.803 13.114 -9.322 233 HB3 ASP 31 1HB ASP 31 -13.808 14.859 -9.230 234 H ASP 32 H ASP 32 -14.598 12.884 -6.605 235 HA ASP 32 HA ASP 32 -16.267 13.481 -5.157 236 HB2 ASP 32 2HB ASP 32 -14.076 15.333 -4.278 237 HB3 ASP 32 1HB ASP 32 -15.687 15.532 -3.615 238 H GLY 33 H GLY 33 -17.849 15.201 -4.697 239 HA2 GLY 33 2HA GLY 33 -19.222 16.949 -5.340 240 HA3 GLY 33 1HA GLY 33 -17.865 17.625 -6.236 241 H ILE 34 H ILE 34 -17.386 15.302 -7.871 242 HA ILE 34 HA ILE 34 -19.139 15.881 -9.972 243 HB ILE 34 HB ILE 34 -16.848 15.101 -10.308 244 HG12 ILE 34 2HG1 ILE 34 -17.312 13.550 -12.184 245 HG13 ILE 34 1HG1 ILE 34 -18.951 13.304 -11.570 246 HG21 ILE 34 1HG2 ILE 34 -16.042 13.039 -9.780 247 HG22 ILE 34 2HG2 ILE 34 -17.611 12.269 -9.845 248 HG23 ILE 34 3HG2 ILE 34 -17.170 13.244 -8.443 249 HD11 ILE 34 3HD1 ILE 34 -19.620 15.461 -12.125 250 HD12 ILE 34 1HD1 ILE 34 -18.515 15.075 -13.439 251 HD13 ILE 34 2HD1 ILE 34 -17.967 16.092 -12.108 252 H THR 35 H THR 35 -19.115 13.267 -7.640 253 HA THR 35 HA THR 35 -21.899 12.719 -8.339 254 HB THR 35 HB THR 35 -20.852 10.854 -9.400 255 HG1 THR 35 1HG THR 35 -22.505 10.286 -7.922 256 HG21 THR 35 3HG2 THR 35 -18.976 10.825 -7.025 257 HG22 THR 35 1HG2 THR 35 -18.606 10.969 -8.744 258 HG23 THR 35 2HG2 THR 35 -19.151 9.437 -8.100 259 H GLY 36 H GLY 36 -21.320 14.470 -6.482 260 HA2 GLY 36 2HA GLY 36 -21.522 15.011 -4.314 261 HA3 GLY 36 1HA GLY 36 -22.014 13.350 -3.947 262 H LYS 37 H LYS 37 -20.602 12.871 -2.314 263 HA LYS 37 HA LYS 37 -17.783 12.783 -3.168 264 HB2 LYS 37 2HB LYS 37 -18.975 13.317 -0.449 265 HB3 LYS 37 1HB LYS 37 -17.347 12.673 -0.628 266 HG2 LYS 37 2HG LYS 37 -16.946 15.010 -0.603 267 HG3 LYS 37 1HG LYS 37 -16.953 14.605 -2.308 268 HD2 LYS 37 2HD LYS 37 -18.348 16.440 -2.308 269 HD3 LYS 37 1HD LYS 37 -19.544 15.177 -2.175 270 HE2 LYS 37 2HE LYS 37 -20.257 16.117 -0.226 271 HE3 LYS 37 1HE LYS 37 -18.705 15.750 0.490 272 HZ1 LYS 37 3HZ LYS 37 -19.492 18.269 -0.893 273 HZ2 LYS 37 1HZ LYS 37 -17.877 17.906 -0.504 274 HZ3 LYS 37 2HZ LYS 37 -19.053 18.013 0.691 275 H GLU 38 H GLU 38 -17.141 10.814 -3.573 276 HA GLU 38 HA GLU 38 -18.776 8.608 -2.660 277 HB2 GLU 38 2HB GLU 38 -16.674 8.875 -4.753 278 HB3 GLU 38 1HB GLU 38 -17.001 7.261 -4.122 279 HG2 GLU 38 2HG GLU 38 -19.060 9.181 -5.272 280 HG3 GLU 38 1HG GLU 38 -18.374 7.782 -6.085 281 H ARG 39 H ARG 39 -18.038 6.745 -1.678 282 HA ARG 39 HA ARG 39 -16.294 7.431 0.535 283 HB2 ARG 39 2HB ARG 39 -17.490 4.698 0.135 284 HB3 ARG 39 1HB ARG 39 -17.133 5.527 1.632 285 HG2 ARG 39 2HG ARG 39 -19.370 6.139 -0.320 286 HG3 ARG 39 1HG ARG 39 -19.531 5.588 1.326 287 HD2 ARG 39 2HD ARG 39 -18.674 8.316 0.365 288 HD3 ARG 39 1HD ARG 39 -19.976 7.886 1.450 289 HE ARG 39 HE ARG 39 -17.760 7.008 2.782 290 HH11 ARG 39 1HH2 ARG 39 -18.764 10.058 1.352 291 HH12 ARG 39 2HH2 ARG 39 -17.823 10.999 2.421 292 HH21 ARG 39 1HH1 ARG 39 -16.487 8.368 4.225 293 HH22 ARG 39 2HH1 ARG 39 -16.565 10.065 4.006 294 H LEU 40 H LEU 40 -14.211 6.971 0.693 295 HA LEU 40 HA LEU 40 -13.007 4.937 -1.069 296 HB2 LEU 40 2HB LEU 40 -11.596 6.976 0.710 297 HB3 LEU 40 1HB LEU 40 -10.849 5.819 -0.360 298 HG LEU 40 HG LEU 40 -12.440 6.922 -2.188 299 HD11 LEU 40 1HD1 LEU 40 -12.056 9.053 -0.076 300 HD12 LEU 40 2HD1 LEU 40 -13.590 8.498 -0.752 301 HD13 LEU 40 3HD1 LEU 40 -12.448 9.410 -1.749 302 HD21 LEU 40 3HD2 LEU 40 -9.903 6.832 -2.133 303 HD22 LEU 40 1HD2 LEU 40 -9.930 8.346 -1.232 304 HD23 LEU 40 2HD2 LEU 40 -10.555 8.288 -2.878 305 H LYS 41 H LYS 41 -12.225 3.063 -0.213 306 HA LYS 41 HA LYS 41 -12.013 2.873 2.710 307 HB2 LYS 41 2HB LYS 41 -13.629 1.023 0.961 308 HB3 LYS 41 1HB LYS 41 -13.053 0.536 2.544 309 HG2 LYS 41 2HG LYS 41 -14.533 3.165 2.326 310 HG3 LYS 41 1HG LYS 41 -15.418 1.666 2.234 311 HD2 LYS 41 2HD LYS 41 -15.449 2.038 4.531 312 HD3 LYS 41 1HD LYS 41 -14.100 0.941 4.376 313 HE2 LYS 41 2HE LYS 41 -13.646 2.933 5.841 314 HE3 LYS 41 1HE LYS 41 -12.486 2.744 4.544 315 HZ1 LYS 41 3HZ LYS 41 -13.393 4.578 3.381 316 HZ2 LYS 41 1HZ LYS 41 -13.562 5.058 4.980 317 HZ3 LYS 41 2HZ LYS 41 -14.888 4.447 4.145 318 H ALA 42 H ALA 42 -10.608 1.305 3.516 319 HA ALA 42 HA ALA 42 -8.872 0.045 1.517 320 HB1 ALA 42 1HB ALA 42 -6.888 0.755 2.894 321 HB2 ALA 42 2HB ALA 42 -7.980 1.861 3.746 322 HB3 ALA 42 3HB ALA 42 -7.693 2.062 2.028 323 H TYR 43 H TYR 43 -8.130 -1.931 2.032 324 HA TYR 43 HA TYR 43 -8.040 -2.914 4.718 325 HB2 TYR 43 2HB TYR 43 -9.622 -4.833 4.193 326 HB3 TYR 43 1HB TYR 43 -10.377 -3.271 4.500 327 HD1 TYR 43 1HD TYR 43 -9.479 -5.739 1.883 328 HD2 TYR 43 2HD TYR 43 -11.482 -2.028 2.710 329 HE1 TYR 43 1HE TYR 43 -10.524 -5.831 -0.297 330 HE2 TYR 43 2HE TYR 43 -12.570 -2.132 0.508 331 HH TYR 43 HH TYR 43 -13.045 -3.520 -1.252 332 H GLY 44 H GLY 44 -7.472 -5.424 4.614 333 HA2 GLY 44 2HA GLY 44 -5.103 -5.739 3.203 334 HA3 GLY 44 1HA GLY 44 -6.089 -7.011 3.883 335 H GLU 45 H GLU 45 -5.022 -7.841 1.745 336 HA GLU 45 HA GLU 45 -5.980 -7.378 -0.779 337 HB2 GLU 45 2HB GLU 45 -5.328 -9.838 0.697 338 HB3 GLU 45 1HB GLU 45 -5.728 -10.074 -1.010 339 HG2 GLU 45 2HG GLU 45 -3.798 -8.385 -1.443 340 HG3 GLU 45 1HG GLU 45 -3.452 -8.477 0.276 341 H LEU 46 H LEU 46 -7.829 -7.665 -1.898 342 HA LEU 46 HA LEU 46 -10.221 -7.664 -0.431 343 HB2 LEU 46 2HB LEU 46 -10.138 -6.398 -2.430 344 HB3 LEU 46 1HB LEU 46 -9.731 -7.803 -3.405 345 HG LEU 46 HG LEU 46 -12.304 -7.840 -1.826 346 HD11 LEU 46 1HD1 LEU 46 -12.101 -5.627 -3.160 347 HD12 LEU 46 2HD1 LEU 46 -13.510 -6.647 -3.441 348 HD13 LEU 46 3HD1 LEU 46 -12.186 -6.660 -4.595 349 HD21 LEU 46 3HD2 LEU 46 -11.094 -9.152 -4.232 350 HD22 LEU 46 1HD2 LEU 46 -12.844 -8.982 -4.188 351 HD23 LEU 46 2HD2 LEU 46 -12.005 -9.883 -2.924 352 H ILE 47 H ILE 47 -8.975 -10.308 -2.441 353 HA ILE 47 HA ILE 47 -11.376 -11.854 -1.922 354 HB ILE 47 HB ILE 47 -10.289 -13.619 -3.218 355 HG12 ILE 47 2HG1 ILE 47 -7.928 -11.713 -3.457 356 HG13 ILE 47 1HG1 ILE 47 -7.910 -13.112 -2.394 357 HG21 ILE 47 1HG2 ILE 47 -11.435 -11.617 -4.283 358 HG22 ILE 47 2HG2 ILE 47 -10.269 -12.457 -5.313 359 HG23 ILE 47 3HG2 ILE 47 -9.827 -10.934 -4.552 360 HD11 ILE 47 3HD1 ILE 47 -6.868 -13.777 -4.454 361 HD12 ILE 47 1HD1 ILE 47 -8.181 -13.074 -5.391 362 HD13 ILE 47 2HD1 ILE 47 -8.471 -14.526 -4.450 363 H THR 48 H THR 48 -8.560 -11.316 -0.247 364 HA THR 48 HA THR 48 -7.803 -13.722 0.777 365 HB THR 48 HB THR 48 -7.749 -11.458 2.655 366 HG1 THR 48 1HG THR 48 -7.635 -10.053 1.140 367 HG21 THR 48 3HG2 THR 48 -5.239 -11.878 1.543 368 HG22 THR 48 1HG2 THR 48 -5.923 -13.496 1.589 369 HG23 THR 48 2HG2 THR 48 -5.813 -12.495 3.059 370 H ASN 49 H ASN 49 -10.106 -11.375 2.190 371 HA ASN 49 HA ASN 49 -10.653 -13.134 4.378 372 HB2 ASN 49 2HB ASN 49 -11.779 -11.447 5.362 373 HB3 ASN 49 1HB ASN 49 -10.676 -10.548 4.356 374 HD21 ASN 49 1HD2 ASN 49 -13.859 -10.396 5.197 375 HD22 ASN 49 2HD2 ASN 49 -14.520 -9.803 3.766 376 H ASP 50 H ASP 50 -11.598 -13.692 1.405 377 HA ASP 50 HA ASP 50 -14.342 -13.791 1.315 378 HB2 ASP 50 2HB ASP 50 -12.894 -14.489 -0.564 379 HB3 ASP 50 1HB ASP 50 -12.478 -15.958 0.322 380 H LYS 51 H LYS 51 -12.446 -16.690 2.100 381 HA LYS 51 HA LYS 51 -14.374 -17.326 4.266 382 HB2 LYS 51 2HB LYS 51 -12.985 -19.233 2.349 383 HB3 LYS 51 1HB LYS 51 -13.729 -19.741 3.862 384 HG2 LYS 51 2HG LYS 51 -15.637 -19.944 2.650 385 HG3 LYS 51 1HG LYS 51 -15.752 -18.198 2.814 386 HD2 LYS 51 2HD LYS 51 -14.343 -18.030 0.719 387 HD3 LYS 51 1HD LYS 51 -14.599 -19.763 0.518 388 HE2 LYS 51 2HE LYS 51 -17.005 -19.491 0.396 389 HE3 LYS 51 1HE LYS 51 -16.888 -17.786 0.826 390 HZ1 LYS 51 3HZ LYS 51 -17.136 -17.809 -1.460 391 HZ2 LYS 51 1HZ LYS 51 -16.031 -19.069 -1.723 392 HZ3 LYS 51 2HZ LYS 51 -15.499 -17.527 -1.222 393 H TRP 52 H TRP 52 -11.458 -19.132 3.668 394 HA TRP 52 HA TRP 52 -10.268 -17.847 6.041 395 HB2 TRP 52 2HB TRP 52 -10.829 -20.554 5.787 396 HB3 TRP 52 1HB TRP 52 -9.129 -20.453 5.369 397 HD1 TRP 52 HD TRP 52 -7.519 -19.117 7.159 398 HE1 TRP 52 1HE TRP 52 -7.683 -19.030 9.731 399 HE3 TRP 52 3HE TRP 52 -12.351 -20.590 7.764 400 HZ2 TRP 52 2HZ TRP 52 -9.626 -19.524 11.777 401 HZ3 TRP 52 3HZ TRP 52 -13.341 -20.777 10.014 402 HH2 TRP 52 HH TRP 52 -11.979 -20.244 12.033 403 H THR 53 H THR 53 -10.159 -17.568 2.923 404 HA THR 53 HA THR 53 -7.434 -17.982 2.224 405 HB THR 53 HB THR 53 -8.182 -16.317 0.380 406 HG1 THR 53 1HG THR 53 -9.945 -15.510 1.591 407 HG21 THR 53 3HG2 THR 53 -9.068 -18.095 -0.852 408 HG22 THR 53 1HG2 THR 53 -9.895 -18.786 0.541 409 HG23 THR 53 2HG2 THR 53 -8.146 -18.927 0.387 410 H ARG 54 H ARG 54 -8.556 -16.111 4.540 411 HA ARG 54 HA ARG 54 -7.933 -13.502 4.061 412 HB2 ARG 54 2HB ARG 54 -9.142 -14.505 6.013 413 HB3 ARG 54 1HB ARG 54 -7.578 -14.672 6.820 414 HG2 ARG 54 2HG ARG 54 -7.248 -12.150 6.238 415 HG3 ARG 54 1HG ARG 54 -8.974 -12.149 5.889 416 HD2 ARG 54 2HD ARG 54 -7.703 -12.990 8.477 417 HD3 ARG 54 1HD ARG 54 -8.458 -11.437 8.159 418 HE ARG 54 HE ARG 54 -10.445 -13.260 7.563 419 HH11 ARG 54 1HH2 ARG 54 -8.378 -12.686 10.295 420 HH12 ARG 54 2HH2 ARG 54 -9.491 -13.187 11.476 421 HH21 ARG 54 1HH1 ARG 54 -12.011 -13.938 9.126 422 HH22 ARG 54 2HH1 ARG 54 -11.617 -13.918 10.778 423 H ASN 55 H ASN 55 -5.661 -15.434 3.330 424 HA ASN 55 HA ASN 55 -3.334 -15.551 4.238 425 HB2 ASN 55 2HB ASN 55 -3.802 -15.320 1.745 426 HB3 ASN 55 1HB ASN 55 -3.623 -13.618 1.927 427 HD21 ASN 55 1HD2 ASN 55 -1.456 -12.801 2.838 428 HD22 ASN 55 2HD2 ASN 55 -0.092 -13.730 2.491 429 H ARG 56 H ARG 56 -3.352 -12.246 2.935 430 HA ARG 56 HA ARG 56 -2.218 -11.419 5.499 431 HB2 ARG 56 2HB ARG 56 -0.821 -9.811 4.336 432 HB3 ARG 56 1HB ARG 56 -0.452 -11.462 3.863 433 HG2 ARG 56 2HG ARG 56 -1.939 -11.090 1.808 434 HG3 ARG 56 1HG ARG 56 -2.041 -9.404 2.277 435 HD2 ARG 56 2HD ARG 56 -0.204 -9.619 0.680 436 HD3 ARG 56 1HD ARG 56 0.403 -9.227 2.261 437 HE ARG 56 HE ARG 56 1.405 -11.306 2.412 438 HH11 ARG 56 1HH2 ARG 56 -0.873 -11.235 -0.261 439 HH12 ARG 56 2HH2 ARG 56 -0.327 -12.726 -0.918 440 HH21 ARG 56 1HH1 ARG 56 2.091 -13.281 1.536 441 HH22 ARG 56 2HH1 ARG 56 1.363 -13.896 0.099 442 HA PRO 57 HA PRO 57 -5.356 -8.238 5.377 443 HB2 PRO 57 2HB PRO 57 -5.352 -7.846 8.058 444 HB3 PRO 57 1HB PRO 57 -6.339 -9.100 7.256 445 HG2 PRO 57 2HG PRO 57 -3.750 -9.352 8.705 446 HG3 PRO 57 1HG PRO 57 -5.140 -10.449 8.716 447 HD2 PRO 57 2HD PRO 57 -2.929 -10.945 7.266 448 HD3 PRO 57 1HD PRO 57 -4.540 -11.479 6.730 449 H ILE 58 H ILE 58 -5.107 -5.983 6.632 450 HA ILE 58 HA ILE 58 -2.708 -4.821 5.766 451 HB ILE 58 HB ILE 58 -4.707 -3.825 7.815 452 HG12 ILE 58 2HG1 ILE 58 -4.326 -2.981 4.938 453 HG13 ILE 58 1HG1 ILE 58 -5.458 -4.260 5.379 454 HG21 ILE 58 1HG2 ILE 58 -2.401 -2.690 7.937 455 HG22 ILE 58 2HG2 ILE 58 -3.761 -1.667 7.534 456 HG23 ILE 58 3HG2 ILE 58 -2.680 -2.220 6.253 457 HD11 ILE 58 3HD1 ILE 58 -5.548 -1.581 6.743 458 HD12 ILE 58 1HD1 ILE 58 -6.825 -2.786 6.579 459 HD13 ILE 58 2HD1 ILE 58 -6.316 -1.827 5.188 460 H VAL 59 H VAL 59 -1.159 -6.303 6.626 461 HA VAL 59 HA VAL 59 -0.087 -5.345 9.162 462 HB VAL 59 HB VAL 59 0.566 -7.662 9.799 463 HG11 VAL 59 1HG1 VAL 59 -1.544 -6.474 10.625 464 HG12 VAL 59 2HG1 VAL 59 -1.537 -8.230 10.780 465 HG13 VAL 59 3HG1 VAL 59 -2.433 -7.463 9.466 466 HG21 VAL 59 3HG2 VAL 59 -0.378 -8.260 7.162 467 HG22 VAL 59 1HG2 VAL 59 -1.459 -9.078 8.282 468 HG23 VAL 59 2HG2 VAL 59 0.273 -9.385 8.336 469 H SER 60 H SER 60 2.233 -5.681 9.259 470 HA SER 60 HA SER 60 3.363 -6.029 6.570 471 HB2 SER 60 2HB SER 60 5.465 -5.075 7.742 472 HB3 SER 60 1HB SER 60 4.177 -3.978 7.262 473 HG SER 60 HG SER 60 4.009 -5.166 9.795 474 H THR 61 H THR 61 4.062 -8.002 6.164 475 HA THR 61 HA THR 61 4.527 -9.884 8.234 476 HB THR 61 HB THR 61 5.004 -11.433 6.518 477 HG1 THR 61 1HG THR 61 6.527 -9.685 5.583 478 HG21 THR 61 3HG2 THR 61 2.715 -10.117 6.433 479 HG22 THR 61 1HG2 THR 61 3.131 -11.250 5.151 480 HG23 THR 61 2HG2 THR 61 3.351 -9.523 4.902 481 H LYS 62 H LYS 62 6.068 -9.037 9.624 482 HA LYS 62 HA LYS 62 8.379 -7.720 8.830 483 HB2 LYS 62 2HB LYS 62 8.084 -9.334 11.366 484 HB3 LYS 62 1HB LYS 62 9.177 -7.977 11.081 485 HG2 LYS 62 2HG LYS 62 6.512 -7.118 10.436 486 HG3 LYS 62 1HG LYS 62 6.435 -7.887 12.004 487 HD2 LYS 62 2HD LYS 62 8.362 -5.652 11.229 488 HD3 LYS 62 1HD LYS 62 6.894 -5.469 12.175 489 HE2 LYS 62 2HE LYS 62 9.536 -6.573 12.995 490 HE3 LYS 62 1HE LYS 62 8.396 -5.623 13.903 491 HZ1 LYS 62 3HZ LYS 62 6.936 -7.779 13.774 492 HZ2 LYS 62 1HZ LYS 62 8.183 -7.625 14.887 493 HZ3 LYS 62 2HZ LYS 62 8.453 -8.538 13.506 494 H LYS 63 H LYS 63 10.195 -8.423 7.920 495 HA LYS 63 HA LYS 63 11.057 -11.216 8.400 496 HB2 LYS 63 2HB LYS 63 11.487 -9.595 5.910 497 HB3 LYS 63 1HB LYS 63 12.171 -11.173 6.248 498 HG2 LYS 63 2HG LYS 63 9.885 -12.159 6.418 499 HG3 LYS 63 1HG LYS 63 9.189 -10.596 6.009 500 HD2 LYS 63 2HD LYS 63 9.896 -12.627 4.248 501 HD3 LYS 63 1HD LYS 63 9.475 -10.987 3.768 502 HE2 LYS 63 2HE LYS 63 12.137 -10.560 4.271 503 HE3 LYS 63 1HE LYS 63 12.172 -12.304 4.010 504 HZ1 LYS 63 3HZ LYS 63 10.776 -11.510 1.868 505 HZ2 LYS 63 1HZ LYS 63 12.444 -11.640 1.956 506 HZ3 LYS 63 2HZ LYS 63 11.763 -10.138 2.136 507 H LEU 64 H LEU 64 13.242 -11.446 8.775 508 HA LEU 64 HA LEU 64 14.730 -8.969 9.288 509 HB2 LEU 64 2HB LEU 64 14.661 -11.047 10.892 510 HB3 LEU 64 1HB LEU 64 15.812 -11.736 9.769 511 HG LEU 64 HG LEU 64 17.214 -10.687 11.305 512 HD11 LEU 64 1HD1 LEU 64 18.202 -8.766 10.279 513 HD12 LEU 64 2HD1 LEU 64 16.777 -8.427 9.329 514 HD13 LEU 64 3HD1 LEU 64 17.740 -9.878 9.006 515 HD21 LEU 64 3HD2 LEU 64 16.600 -8.151 11.903 516 HD22 LEU 64 1HD2 LEU 64 15.935 -9.504 12.808 517 HD23 LEU 64 2HD2 LEU 64 14.966 -8.723 11.557 518 H ASP 65 H ASP 65 15.135 -8.301 7.141 519 HA ASP 65 HA ASP 65 16.121 -10.207 5.292 520 HB2 ASP 65 2HB ASP 65 15.366 -7.360 5.142 521 HB3 ASP 65 1HB ASP 65 16.579 -7.885 4.009 522 H LYS 66 H LYS 66 17.950 -10.138 4.185 523 HA LYS 66 HA LYS 66 20.318 -10.464 5.339 524 HB2 LYS 66 2HB LYS 66 21.371 -9.853 3.177 525 HB3 LYS 66 1HB LYS 66 19.940 -10.886 3.003 526 HG2 LYS 66 2HG LYS 66 19.517 -7.900 2.863 527 HG3 LYS 66 1HG LYS 66 20.295 -8.688 1.518 528 HD2 LYS 66 2HD LYS 66 18.484 -9.925 0.913 529 HD3 LYS 66 1HD LYS 66 17.721 -9.976 2.487 530 HE2 LYS 66 2HE LYS 66 17.399 -7.434 2.218 531 HE3 LYS 66 1HE LYS 66 17.834 -7.680 0.521 532 HZ1 LYS 66 3HZ LYS 66 15.391 -7.731 1.111 533 HZ2 LYS 66 1HZ LYS 66 15.638 -9.180 1.905 534 HZ3 LYS 66 2HZ LYS 66 15.894 -9.058 0.235 535 H GLU 67 H GLU 67 18.892 -7.354 4.650 536 HA GLU 67 HA GLU 67 21.145 -5.695 4.927 537 HB2 GLU 67 2HB GLU 67 18.424 -4.876 5.874 538 HB3 GLU 67 1HB GLU 67 19.639 -3.873 5.103 539 HG2 GLU 67 2HG GLU 67 17.940 -6.052 3.774 540 HG3 GLU 67 1HG GLU 67 17.864 -4.339 3.532 541 H GLY 68 H GLY 68 19.327 -7.421 7.311 542 HA2 GLY 68 2HA GLY 68 19.908 -7.686 9.581 543 HA3 GLY 68 1HA GLY 68 21.040 -6.335 9.426 544 H ARG 69 H ARG 69 18.245 -5.633 7.877 545 HA ARG 69 HA ARG 69 17.111 -4.072 10.131 546 HB2 ARG 69 2HB ARG 69 16.786 -3.650 7.144 547 HB3 ARG 69 1HB ARG 69 16.219 -2.595 8.425 548 HG2 ARG 69 2HG ARG 69 19.158 -3.221 7.970 549 HG3 ARG 69 1HG ARG 69 18.350 -1.810 7.301 550 HD2 ARG 69 2HD ARG 69 17.808 -0.994 9.551 551 HD3 ARG 69 1HD ARG 69 18.471 -2.478 10.238 552 HE ARG 69 HE ARG 69 20.399 -1.089 8.627 553 HH11 ARG 69 1HH2 ARG 69 18.839 -1.137 11.754 554 HH12 ARG 69 2HH2 ARG 69 20.168 -0.432 12.571 555 HH21 ARG 69 1HH1 ARG 69 22.180 -0.138 9.754 556 HH22 ARG 69 2HH1 ARG 69 22.061 0.142 11.433 557 H THR 70 H THR 70 15.051 -4.678 10.674 558 HA THR 70 HA THR 70 13.937 -6.963 9.387 559 HB THR 70 HB THR 70 12.512 -5.121 11.323 560 HG1 THR 70 1HG THR 70 14.613 -6.208 11.905 561 HG21 THR 70 3HG2 THR 70 11.114 -7.042 11.755 562 HG22 THR 70 1HG2 THR 70 12.048 -8.036 10.642 563 HG23 THR 70 2HG2 THR 70 11.079 -6.691 10.032 564 H HIS 71 H HIS 71 12.652 -7.115 7.742 565 HA HIS 71 HA HIS 71 11.854 -4.727 6.252 566 HB2 HIS 71 2HB HIS 71 13.015 -6.932 5.428 567 HB3 HIS 71 1HB HIS 71 11.372 -7.542 5.390 568 HD1 HIS 71 1HD HIS 71 13.785 -5.822 3.340 569 HD2 HIS 71 2HD HIS 71 9.608 -5.653 3.653 570 HE1 HIS 71 1HE HIS 71 12.928 -4.840 1.182 571 HE2 HIS 71 2HE HIS 71 10.402 -4.772 1.327 572 H HIS 72 H HIS 72 9.833 -4.045 6.196 573 HA HIS 72 HA HIS 72 7.636 -5.679 7.324 574 HB2 HIS 72 2HB HIS 72 8.106 -2.747 6.889 575 HB3 HIS 72 1HB HIS 72 6.464 -3.334 7.025 576 HD1 HIS 72 1HD HIS 72 5.579 -3.667 9.435 577 HD2 HIS 72 2HD HIS 72 9.761 -3.290 9.292 578 HE1 HIS 72 1HE HIS 72 6.350 -3.345 11.777 579 HE2 HIS 72 2HE HIS 72 8.901 -3.148 11.741 580 H TYR 73 H TYR 73 6.823 -6.882 5.568 581 HA TYR 73 HA TYR 73 6.476 -5.507 2.973 582 HB2 TYR 73 2HB TYR 73 6.014 -8.411 3.739 583 HB3 TYR 73 1HB TYR 73 5.832 -7.746 2.144 584 HD1 TYR 73 1HD TYR 73 8.272 -8.566 4.784 585 HD2 TYR 73 2HD TYR 73 7.756 -7.283 0.714 586 HE1 TYR 73 1HE TYR 73 10.641 -9.011 4.339 587 HE2 TYR 73 2HE TYR 73 10.142 -7.741 0.272 588 HH TYR 73 HH TYR 73 12.424 -8.407 2.813 589 H MET 74 H MET 74 4.504 -4.561 2.692 590 HA MET 74 HA MET 74 2.088 -5.896 3.704 591 HB2 MET 74 2HB MET 74 2.836 -4.367 5.548 592 HB3 MET 74 1HB MET 74 2.773 -3.038 4.393 593 HG2 MET 74 2HG MET 74 0.385 -3.362 4.056 594 HG3 MET 74 1HG MET 74 0.380 -4.798 5.059 595 HE1 MET 74 3HE MET 74 0.641 -0.995 4.810 596 HE2 MET 74 1HE MET 74 2.253 -1.340 5.472 597 HE3 MET 74 2HE MET 74 1.071 -0.472 6.428 598 H ARG 75 H ARG 75 0.514 -5.796 2.421 599 HA ARG 75 HA ARG 75 0.258 -3.495 0.742 600 HB2 ARG 75 2HB ARG 75 -0.256 -4.785 -1.276 601 HB3 ARG 75 1HB ARG 75 1.405 -5.053 -0.757 602 HG2 ARG 75 2HG ARG 75 0.842 -7.119 0.249 603 HG3 ARG 75 1HG ARG 75 -0.871 -6.953 -0.055 604 HD2 ARG 75 2HD ARG 75 -0.190 -6.721 -2.587 605 HD3 ARG 75 1HD ARG 75 1.396 -7.243 -2.055 606 HE ARG 75 HE ARG 75 -0.753 -9.062 -1.300 607 HH11 ARG 75 1HH2 ARG 75 1.564 -8.114 -3.746 608 HH12 ARG 75 2HH2 ARG 75 1.510 -9.602 -4.569 609 HH21 ARG 75 1HH1 ARG 75 -0.837 -11.023 -2.380 610 HH22 ARG 75 2HH1 ARG 75 0.124 -11.321 -3.764 611 H PHE 76 H PHE 76 -1.850 -3.113 0.069 612 HA PHE 76 HA PHE 76 -3.914 -4.784 1.240 613 HB2 PHE 76 2HB PHE 76 -4.913 -2.829 2.463 614 HB3 PHE 76 1HB PHE 76 -3.399 -3.412 3.130 615 HD1 PHE 76 2HD PHE 76 -1.334 -2.117 2.902 616 HD2 PHE 76 1HD PHE 76 -5.066 -0.646 1.333 617 HE1 PHE 76 2HE PHE 76 -0.361 0.138 2.686 618 HE2 PHE 76 1HE PHE 76 -4.060 1.623 1.120 619 HZ PHE 76 HZ PHE 76 -1.718 2.008 1.797 620 H HIS 77 H HIS 77 -6.091 -4.042 0.726 621 HA HIS 77 HA HIS 77 -6.094 -3.007 -2.001 622 HB2 HIS 77 2HB HIS 77 -7.703 -5.035 -0.542 623 HB3 HIS 77 1HB HIS 77 -8.547 -4.115 -1.741 624 HD1 HIS 77 1HD HIS 77 -5.184 -5.935 -1.566 625 HD2 HIS 77 2HD HIS 77 -8.308 -5.247 -4.245 626 HE1 HIS 77 1HE HIS 77 -4.681 -7.302 -3.659 627 HE2 HIS 77 2HE HIS 77 -6.563 -6.864 -5.297 628 H VAL 78 H VAL 78 -7.471 -1.309 -2.521 629 HA VAL 78 HA VAL 78 -9.078 -0.208 -0.321 630 HB VAL 78 HB VAL 78 -8.360 1.992 -0.689 631 HG11 VAL 78 1HG1 VAL 78 -5.845 0.373 -1.125 632 HG12 VAL 78 2HG1 VAL 78 -6.661 0.514 0.432 633 HG13 VAL 78 3HG1 VAL 78 -5.975 1.945 -0.339 634 HG21 VAL 78 3HG2 VAL 78 -7.198 0.935 -3.279 635 HG22 VAL 78 1HG2 VAL 78 -6.715 2.499 -2.617 636 HG23 VAL 78 2HG2 VAL 78 -8.392 2.230 -3.063 637 H GLU 79 H GLU 79 -10.827 0.999 -0.937 638 HA GLU 79 HA GLU 79 -11.809 0.399 -3.648 639 HB2 GLU 79 2HB GLU 79 -13.320 0.836 -1.066 640 HB3 GLU 79 1HB GLU 79 -14.093 0.772 -2.646 641 HG2 GLU 79 2HG GLU 79 -13.335 -1.424 -3.058 642 HG3 GLU 79 1HG GLU 79 -12.311 -1.504 -1.645 643 H SER 80 H SER 80 -11.787 2.015 -4.951 644 HA SER 80 HA SER 80 -11.376 4.693 -3.970 645 HB2 SER 80 2HB SER 80 -10.738 5.210 -6.153 646 HB3 SER 80 1HB SER 80 -10.212 3.550 -5.966 647 HG SER 80 HG SER 80 -11.980 2.887 -6.962 648 H LYS 81 H LYS 81 -12.612 6.250 -5.815 649 HA LYS 81 HA LYS 81 -15.253 6.377 -4.821 650 HB2 LYS 81 2HB LYS 81 -14.146 7.591 -7.353 651 HB3 LYS 81 1HB LYS 81 -15.564 8.130 -6.474 652 HG2 LYS 81 2HG LYS 81 -12.670 8.282 -5.523 653 HG3 LYS 81 1HG LYS 81 -13.728 9.598 -6.028 654 HD2 LYS 81 2HD LYS 81 -15.047 8.184 -3.861 655 HD3 LYS 81 1HD LYS 81 -13.366 8.496 -3.464 656 HE2 LYS 81 2HE LYS 81 -13.722 10.947 -4.266 657 HE3 LYS 81 1HE LYS 81 -15.422 10.497 -4.262 658 HZ1 LYS 81 3HZ LYS 81 -13.649 10.722 -1.878 659 HZ2 LYS 81 1HZ LYS 81 -15.176 9.945 -1.833 660 HZ3 LYS 81 2HZ LYS 81 -14.995 11.538 -2.360 661 H LYS 82 H LYS 82 -13.697 4.926 -7.592 662 HA LYS 82 HA LYS 82 -16.308 3.857 -8.554 663 HB2 LYS 82 2HB LYS 82 -13.927 4.675 -10.236 664 HB3 LYS 82 1HB LYS 82 -15.469 4.073 -10.825 665 HG2 LYS 82 2HG LYS 82 -15.110 6.638 -9.236 666 HG3 LYS 82 1HG LYS 82 -15.294 6.552 -10.978 667 HD2 LYS 82 2HD LYS 82 -17.563 5.662 -10.775 668 HD3 LYS 82 1HD LYS 82 -17.376 5.426 -9.050 669 HE2 LYS 82 2HE LYS 82 -18.649 7.429 -9.339 670 HE3 LYS 82 1HE LYS 82 -17.041 7.893 -8.797 671 HZ1 LYS 82 3HZ LYS 82 -16.663 7.982 -11.447 672 HZ2 LYS 82 1HZ LYS 82 -17.247 9.290 -10.573 673 HZ3 LYS 82 2HZ LYS 82 -18.319 8.320 -11.379 674 H LYS 83 H LYS 83 -12.852 3.253 -8.166 675 HA LYS 83 HA LYS 83 -13.325 0.386 -8.823 676 HB2 LYS 83 2HB LYS 83 -10.887 2.063 -9.471 677 HB3 LYS 83 1HB LYS 83 -11.113 0.346 -9.825 678 HG2 LYS 83 2HG LYS 83 -12.947 2.534 -10.870 679 HG3 LYS 83 1HG LYS 83 -11.617 1.867 -11.790 680 HD2 LYS 83 2HD LYS 83 -12.599 -0.306 -11.853 681 HD3 LYS 83 1HD LYS 83 -13.835 0.097 -10.676 682 HE2 LYS 83 2HE LYS 83 -14.013 2.011 -12.815 683 HE3 LYS 83 1HE LYS 83 -13.920 0.399 -13.513 684 HZ1 LYS 83 3HZ LYS 83 -15.736 -0.302 -12.096 685 HZ2 LYS 83 1HZ LYS 83 -16.190 1.006 -13.030 686 HZ3 LYS 83 2HZ LYS 83 -15.871 1.249 -11.395 687 H ILE 84 H ILE 84 -11.732 -1.100 -8.002 688 HA ILE 84 HA ILE 84 -11.005 -0.498 -5.222 689 HB ILE 84 HB ILE 84 -10.961 -3.128 -6.728 690 HG12 ILE 84 2HG1 ILE 84 -13.067 -2.159 -4.776 691 HG13 ILE 84 1HG1 ILE 84 -13.266 -1.970 -6.512 692 HG21 ILE 84 1HG2 ILE 84 -9.557 -3.099 -4.714 693 HG22 ILE 84 2HG2 ILE 84 -11.004 -4.058 -4.409 694 HG23 ILE 84 3HG2 ILE 84 -10.891 -2.434 -3.778 695 HD11 ILE 84 3HD1 ILE 84 -12.518 -4.596 -6.328 696 HD12 ILE 84 1HD1 ILE 84 -14.156 -3.976 -6.462 697 HD13 ILE 84 2HD1 ILE 84 -13.495 -4.386 -4.864 698 H ALA 85 H ALA 85 -8.864 -0.291 -4.693 699 HA ALA 85 HA ALA 85 -6.871 -0.879 -6.819 700 HB1 ALA 85 1HB ALA 85 -7.416 1.617 -5.459 701 HB2 ALA 85 2HB ALA 85 -6.341 1.280 -6.813 702 HB3 ALA 85 3HB ALA 85 -5.758 1.084 -5.164 703 H LEU 86 H LEU 86 -4.778 -1.425 -6.186 704 HA LEU 86 HA LEU 86 -4.631 -2.716 -3.540 705 HB2 LEU 86 2HB LEU 86 -4.494 -4.419 -5.148 706 HB3 LEU 86 1HB LEU 86 -3.512 -3.466 -6.238 707 HG LEU 86 HG LEU 86 -1.635 -3.563 -4.560 708 HD11 LEU 86 1HD1 LEU 86 -2.124 -4.113 -2.501 709 HD12 LEU 86 2HD1 LEU 86 -2.376 -5.779 -3.028 710 HD13 LEU 86 3HD1 LEU 86 -3.745 -4.661 -2.923 711 HD21 LEU 86 3HD2 LEU 86 -2.801 -6.168 -5.587 712 HD22 LEU 86 1HD2 LEU 86 -1.179 -6.033 -4.901 713 HD23 LEU 86 2HD2 LEU 86 -1.595 -5.138 -6.353 714 H VAL 87 H VAL 87 -3.090 -2.017 -2.166 715 HA VAL 87 HA VAL 87 -0.960 -0.261 -3.247 716 HB VAL 87 HB VAL 87 -2.239 -0.162 -0.506 717 HG11 VAL 87 1HG1 VAL 87 -0.974 2.135 -0.613 718 HG12 VAL 87 2HG1 VAL 87 0.032 1.317 -1.809 719 HG13 VAL 87 3HG1 VAL 87 -0.090 0.678 -0.177 720 HG21 VAL 87 3HG2 VAL 87 -3.889 0.841 -1.762 721 HG22 VAL 87 1HG2 VAL 87 -2.803 1.286 -3.073 722 HG23 VAL 87 2HG2 VAL 87 -2.840 2.237 -1.593 723 H HIS 88 H HIS 88 1.052 -0.956 -2.926 724 HA HIS 88 HA HIS 88 1.514 -3.027 -0.868 725 HB2 HIS 88 2HB HIS 88 1.649 -4.185 -2.973 726 HB3 HIS 88 1HB HIS 88 2.573 -2.866 -3.683 727 HD1 HIS 88 1HD HIS 88 4.495 -4.586 -4.297 728 HD2 HIS 88 2HD HIS 88 3.823 -4.166 -0.183 729 HE1 HIS 88 1HE HIS 88 6.483 -5.616 -3.123 730 HE2 HIS 88 2HE HIS 88 6.102 -5.388 -0.639 731 H LEU 89 H LEU 89 2.856 -2.451 0.663 732 HA LEU 89 HA LEU 89 4.917 -0.450 0.057 733 HB2 LEU 89 2HB LEU 89 3.039 0.568 1.303 734 HB3 LEU 89 1HB LEU 89 3.274 -0.613 2.586 735 HG LEU 89 HG LEU 89 5.692 0.941 1.738 736 HD11 LEU 89 1HD1 LEU 89 3.426 2.431 2.226 737 HD12 LEU 89 2HD1 LEU 89 5.086 2.950 2.495 738 HD13 LEU 89 3HD1 LEU 89 4.153 2.307 3.832 739 HD21 LEU 89 3HD2 LEU 89 6.473 0.219 3.731 740 HD22 LEU 89 1HD2 LEU 89 5.089 -0.863 3.786 741 HD23 LEU 89 2HD2 LEU 89 5.016 0.694 4.593 742 H GLU 90 H GLU 90 6.880 -0.859 0.761 743 HA GLU 90 HA GLU 90 7.259 -3.000 2.726 744 HB2 GLU 90 2HB GLU 90 8.960 -2.351 0.343 745 HB3 GLU 90 1HB GLU 90 9.570 -3.265 1.702 746 HG2 GLU 90 2HG GLU 90 7.836 -4.931 1.429 747 HG3 GLU 90 1HG GLU 90 7.075 -4.037 0.131 748 H ALA 91 H ALA 91 8.312 -2.450 4.483 749 HA ALA 91 HA ALA 91 9.900 0.004 4.432 750 HB1 ALA 91 1HB ALA 91 8.409 -0.666 6.940 751 HB2 ALA 91 2HB ALA 91 7.540 0.145 5.636 752 HB3 ALA 91 3HB ALA 91 8.964 0.896 6.359 753 H LYS 92 H LYS 92 11.599 0.064 6.095 754 HA LYS 92 HA LYS 92 12.196 -2.609 7.159 755 HB2 LYS 92 2HB LYS 92 14.579 -2.288 6.860 756 HB3 LYS 92 1HB LYS 92 13.743 -2.266 5.317 757 HG2 LYS 92 2HG LYS 92 13.904 0.159 5.185 758 HG3 LYS 92 1HG LYS 92 14.461 0.272 6.850 759 HD2 LYS 92 2HD LYS 92 16.500 -0.930 6.294 760 HD3 LYS 92 1HD LYS 92 16.035 -1.082 4.610 761 HE2 LYS 92 2HE LYS 92 16.353 1.576 6.069 762 HE3 LYS 92 1HE LYS 92 17.617 0.835 5.108 763 HZ1 LYS 92 3HZ LYS 92 16.701 2.091 3.549 764 HZ2 LYS 92 1HZ LYS 92 15.143 2.148 4.173 765 HZ3 LYS 92 2HZ LYS 92 15.702 0.783 3.301 766 H GLU 93 H GLU 93 12.991 -2.767 9.138 767 HA GLU 93 HA GLU 93 12.579 -0.618 10.991 768 HB2 GLU 93 2HB GLU 93 13.373 -3.440 11.100 769 HB3 GLU 93 1HB GLU 93 14.155 -2.451 12.303 770 HG2 GLU 93 2HG GLU 93 11.234 -1.951 11.992 771 HG3 GLU 93 1HG GLU 93 11.703 -3.513 12.663 772 H SER 94 H SER 94 14.077 0.573 12.091 773 HA SER 94 HA SER 94 16.724 0.924 10.986 774 HB2 SER 94 2HB SER 94 15.278 1.998 13.428 775 HB3 SER 94 1HB SER 94 17.010 2.204 13.253 776 HG SER 94 HG SER 94 15.299 3.796 12.344 777 H LYS 95 H LYS 95 15.702 0.110 14.270 778 HA LYS 95 HA LYS 95 16.974 -2.453 14.041 779 HB2 LYS 95 2HB LYS 95 18.646 -0.682 15.114 780 HB3 LYS 95 1HB LYS 95 17.685 -0.975 16.548 781 HG2 LYS 95 2HG LYS 95 19.475 -2.554 16.608 782 HG3 LYS 95 1HG LYS 95 18.040 -3.472 16.175 783 HD2 LYS 95 2HD LYS 95 19.301 -2.426 13.765 784 HD3 LYS 95 1HD LYS 95 20.471 -3.297 14.757 785 HE2 LYS 95 2HE LYS 95 18.657 -5.136 14.961 786 HE3 LYS 95 1HE LYS 95 17.903 -4.332 13.588 787 HZ1 LYS 95 3HZ LYS 95 19.909 -6.175 13.459 788 HZ2 LYS 95 1HZ LYS 95 20.712 -4.739 13.147 789 HZ3 LYS 95 2HZ LYS 95 19.399 -5.221 12.183 790 H GLN 96 H GLN 96 15.231 -0.210 16.107 791 HA GLN 96 HA GLN 96 13.236 -2.243 16.584 792 HB2 GLN 96 2HB GLN 96 13.775 -0.991 19.164 793 HB3 GLN 96 1HB GLN 96 13.632 -2.693 18.753 794 HG2 GLN 96 2HG GLN 96 15.817 -2.514 19.543 795 HG3 GLN 96 1HG GLN 96 16.081 -2.465 17.829 796 HE21 GLN 96 1HE2 GLN 96 18.117 -1.294 18.642 797 HE22 GLN 96 2HE2 GLN 96 18.039 0.378 18.874 798 H ASN 97 H ASN 97 13.472 0.333 15.227 799 HA ASN 97 HA ASN 97 12.253 2.369 16.786 800 HB2 ASN 97 2HB ASN 97 13.626 2.896 14.828 801 HB3 ASN 97 1HB ASN 97 12.380 2.241 13.769 802 HD21 ASN 97 1HD2 ASN 97 11.801 4.314 12.805 803 HD22 ASN 97 2HD2 ASN 97 11.057 5.533 13.709 804 H TYR 98 H TYR 98 10.272 3.388 16.472 805 HA TYR 98 HA TYR 98 7.981 1.708 16.573 806 HB2 TYR 98 2HB TYR 98 8.177 4.683 16.053 807 HB3 TYR 98 1HB TYR 98 6.717 3.812 16.521 808 HD1 TYR 98 1HD TYR 98 10.035 4.971 17.642 809 HD2 TYR 98 2HD TYR 98 6.405 2.976 18.811 810 HE1 TYR 98 1HE TYR 98 10.680 5.188 19.994 811 HE2 TYR 98 2HE TYR 98 7.055 3.185 21.156 812 HH TYR 98 HH TYR 98 10.173 4.658 22.092 813 H GLN 99 H GLN 99 9.292 3.884 14.090 814 HA GLN 99 HA GLN 99 7.495 2.629 12.147 815 HB2 GLN 99 2HB GLN 99 8.588 5.428 12.074 816 HB3 GLN 99 1HB GLN 99 7.505 4.690 10.886 817 HG2 GLN 99 2HG GLN 99 6.781 4.938 13.835 818 HG3 GLN 99 1HG GLN 99 6.336 6.127 12.622 819 HE21 GLN 99 1HE2 GLN 99 6.002 2.566 13.287 820 HE22 GLN 99 2HE2 GLN 99 4.511 2.458 12.485 821 HA PRO 100 HA PRO 100 11.375 1.330 10.304 822 HB2 PRO 100 2HB PRO 100 10.252 -0.268 8.431 823 HB3 PRO 100 1HB PRO 100 10.458 -0.754 10.128 824 HG2 PRO 100 2HG PRO 100 8.034 0.381 8.801 825 HG3 PRO 100 1HG PRO 100 8.142 -1.031 9.881 826 HD2 PRO 100 2HD PRO 100 7.303 1.298 10.796 827 HD3 PRO 100 1HD PRO 100 8.379 0.306 11.798 828 H ASP 101 H ASP 101 12.373 1.708 8.322 829 HA ASP 101 HA ASP 101 11.696 4.099 6.898 830 HB2 ASP 101 2HB ASP 101 14.068 3.181 7.186 831 HB3 ASP 101 1HB ASP 101 13.530 1.887 6.145 832 H PHE 102 H PHE 102 10.344 4.330 5.183 833 HA PHE 102 HA PHE 102 9.080 2.021 3.963 834 HB2 PHE 102 2HB PHE 102 9.081 4.931 3.205 835 HB3 PHE 102 1HB PHE 102 8.067 3.705 2.445 836 HD1 PHE 102 1HD PHE 102 6.727 2.198 4.249 837 HD2 PHE 102 2HD PHE 102 8.099 6.217 4.903 838 HE1 PHE 102 1HE PHE 102 5.027 2.492 6.016 839 HE2 PHE 102 2HE PHE 102 6.388 6.509 6.675 840 HZ PHE 102 HZ PHE 102 4.849 4.639 7.222 841 H ILE 103 H ILE 103 10.640 0.818 2.937 842 HA ILE 103 HA ILE 103 12.665 1.954 1.280 843 HB ILE 103 HB ILE 103 11.589 -0.878 1.439 844 HG12 ILE 103 2HG1 ILE 103 14.190 0.322 2.406 845 HG13 ILE 103 1HG1 ILE 103 12.782 0.167 3.451 846 HG21 ILE 103 1HG2 ILE 103 12.676 -0.500 -0.779 847 HG22 ILE 103 2HG2 ILE 103 13.781 -1.420 0.235 848 HG23 ILE 103 3HG2 ILE 103 14.027 0.288 0.013 849 HD11 ILE 103 3HD1 ILE 103 14.536 -1.709 3.488 850 HD12 ILE 103 1HD1 ILE 103 13.857 -2.233 1.951 851 HD13 ILE 103 2HD1 ILE 103 12.838 -2.182 3.396 852 H ASN 104 H ASN 104 9.542 0.432 0.699 853 HA ASN 104 HA ASN 104 9.418 1.600 -1.991 854 HB2 ASN 104 2HB ASN 104 10.444 -0.579 -2.353 855 HB3 ASN 104 1HB ASN 104 9.236 -1.330 -1.337 856 HD21 ASN 104 1HD2 ASN 104 8.941 1.004 -4.092 857 HD22 ASN 104 2HD2 ASN 104 7.849 0.020 -4.939 858 H MET 105 H MET 105 7.347 2.184 -2.550 859 HA MET 105 HA MET 105 5.122 0.787 -1.478 860 HB2 MET 105 2HB MET 105 4.435 2.126 0.175 861 HB3 MET 105 1HB MET 105 5.970 2.972 0.071 862 HG2 MET 105 2HG MET 105 4.208 4.603 -0.077 863 HG3 MET 105 1HG MET 105 4.931 4.465 -1.667 864 HE1 MET 105 3HE MET 105 0.869 3.248 -0.114 865 HE2 MET 105 1HE MET 105 2.379 3.543 0.756 866 HE3 MET 105 2HE MET 105 2.022 1.955 0.079 867 H TYR 106 H TYR 106 3.603 0.634 -2.979 868 HA TYR 106 HA TYR 106 3.174 2.830 -4.831 869 HB2 TYR 106 2HB TYR 106 3.486 1.481 -6.848 870 HB3 TYR 106 1HB TYR 106 4.966 1.553 -5.893 871 HD1 TYR 106 2HD TYR 106 5.732 -0.397 -4.567 872 HD2 TYR 106 1HD TYR 106 2.272 -0.596 -7.118 873 HE1 TYR 106 2HE TYR 106 5.805 -2.835 -4.470 874 HE2 TYR 106 1HE TYR 106 2.331 -3.048 -7.018 875 HH TYR 106 HH TYR 106 3.199 -4.806 -5.638 876 H VAL 107 H VAL 107 1.368 2.493 -6.249 877 HA VAL 107 HA VAL 107 -0.730 0.853 -4.960 878 HB VAL 107 HB VAL 107 -0.814 3.630 -6.132 879 HG11 VAL 107 1HG1 VAL 107 -2.804 2.598 -6.918 880 HG12 VAL 107 2HG1 VAL 107 -3.246 3.567 -5.513 881 HG13 VAL 107 3HG1 VAL 107 -3.104 1.807 -5.363 882 HG21 VAL 107 3HG2 VAL 107 -2.033 3.687 -3.675 883 HG22 VAL 107 1HG2 VAL 107 -0.336 4.066 -3.957 884 HG23 VAL 107 2HG2 VAL 107 -0.801 2.453 -3.423 885 H ASP 108 H ASP 108 -1.787 -0.522 -6.209 886 HA ASP 108 HA ASP 108 -1.435 -0.382 -9.133 887 HB2 ASP 108 2HB ASP 108 -0.910 -2.635 -7.747 888 HB3 ASP 108 1HB ASP 108 -2.623 -2.651 -7.643 889 H VAL 109 H VAL 109 -3.048 0.779 -9.953 890 HA VAL 109 HA VAL 109 -5.747 0.404 -8.882 891 HB VAL 109 HB VAL 109 -4.638 2.580 -10.667 892 HG11 VAL 109 1HG1 VAL 109 -6.900 3.654 -10.110 893 HG12 VAL 109 2HG1 VAL 109 -7.419 2.064 -9.563 894 HG13 VAL 109 3HG1 VAL 109 -6.954 2.309 -11.242 895 HG21 VAL 109 3HG2 VAL 109 -4.722 2.206 -7.792 896 HG22 VAL 109 1HG2 VAL 109 -5.693 3.601 -8.247 897 HG23 VAL 109 2HG2 VAL 109 -3.995 3.513 -8.712 898 HA PRO 110 HA PRO 110 -6.078 -2.528 -12.164 899 HB2 PRO 110 2HB PRO 110 -9.003 -2.044 -11.829 900 HB3 PRO 110 1HB PRO 110 -8.105 -3.575 -11.868 901 HG2 PRO 110 2HG PRO 110 -8.956 -2.650 -9.582 902 HG3 PRO 110 1HG PRO 110 -7.323 -3.325 -9.685 903 HD2 PRO 110 2HD PRO 110 -8.130 -0.446 -9.542 904 HD3 PRO 110 1HD PRO 110 -6.738 -1.299 -8.817 905 H GLY 111 H GLY 111 -6.005 -2.264 -14.305 906 HA2 GLY 111 2HA GLY 111 -6.388 -1.505 -16.429 907 HA3 GLY 111 1HA GLY 111 -7.813 -0.655 -15.849 908 H GLU 112 H GLU 112 -5.483 0.344 -13.792 909 HA GLU 112 HA GLU 112 -4.750 2.661 -15.466 910 HB2 GLU 112 2HB GLU 112 -5.048 2.446 -12.481 911 HB3 GLU 112 1HB GLU 112 -4.541 3.893 -13.343 912 HG2 GLU 112 2HG GLU 112 -7.223 2.491 -13.624 913 HG3 GLU 112 1HG GLU 112 -6.917 4.005 -12.786 914 H LYS 113 H LYS 113 -2.663 3.680 -14.832 915 HA LYS 113 HA LYS 113 -0.571 1.785 -14.952 916 HB2 LYS 113 2HB LYS 113 -0.312 4.700 -14.227 917 HB3 LYS 113 1HB LYS 113 0.881 3.645 -14.986 918 HG2 LYS 113 2HG LYS 113 -1.716 4.632 -16.221 919 HG3 LYS 113 1HG LYS 113 -0.065 5.024 -16.715 920 HD2 LYS 113 2HD LYS 113 0.204 2.445 -16.950 921 HD3 LYS 113 1HD LYS 113 -1.535 2.425 -17.025 922 HE2 LYS 113 2HE LYS 113 0.368 3.343 -19.072 923 HE3 LYS 113 1HE LYS 113 -1.295 2.796 -19.246 924 HZ1 LYS 113 3HZ LYS 113 -1.305 5.032 -19.850 925 HZ2 LYS 113 1HZ LYS 113 -0.369 5.542 -18.572 926 HZ3 LYS 113 2HZ LYS 113 -1.977 5.053 -18.314 927 H ARG 114 H ARG 114 0.722 1.040 -13.469 928 HA ARG 114 HA ARG 114 0.094 0.965 -10.719 929 HB2 ARG 114 2HB ARG 114 2.453 0.109 -10.473 930 HB3 ARG 114 1HB ARG 114 1.460 -0.785 -11.615 931 HG2 ARG 114 2HG ARG 114 2.486 0.939 -13.401 932 HG3 ARG 114 1HG ARG 114 3.715 1.152 -12.214 933 HD2 ARG 114 2HD ARG 114 2.882 -1.553 -13.266 934 HD3 ARG 114 1HD ARG 114 4.156 -0.528 -13.915 935 HE ARG 114 HE ARG 114 4.684 -0.885 -11.161 936 HH11 ARG 114 1HH2 ARG 114 4.485 -2.777 -14.068 937 HH12 ARG 114 2HH2 ARG 114 5.634 -3.934 -13.546 938 HH21 ARG 114 1HH1 ARG 114 6.206 -2.357 -10.475 939 HH22 ARG 114 2HH1 ARG 114 6.631 -3.709 -11.473 940 H TYR 115 H TYR 115 0.339 2.534 -9.229 941 HA TYR 115 HA TYR 115 2.034 4.831 -9.929 942 HB2 TYR 115 2HB TYR 115 -0.309 5.276 -9.368 943 HB3 TYR 115 1HB TYR 115 -0.063 4.558 -7.778 944 HD1 TYR 115 1HD TYR 115 0.893 7.391 -9.987 945 HD2 TYR 115 2HD TYR 115 1.124 5.728 -6.028 946 HE1 TYR 115 1HE TYR 115 1.766 9.521 -9.152 947 HE2 TYR 115 2HE TYR 115 1.997 7.878 -5.188 948 HH TYR 115 HH TYR 115 2.270 10.701 -7.337 949 H TYR 116 H TYR 116 3.947 5.090 -8.976 950 HA TYR 116 HA TYR 116 4.482 3.603 -6.498 951 HB2 TYR 116 2HB TYR 116 6.356 4.664 -8.619 952 HB3 TYR 116 1HB TYR 116 6.898 4.125 -7.023 953 HD1 TYR 116 1HD TYR 116 4.825 2.993 -9.923 954 HD2 TYR 116 2HD TYR 116 7.327 1.837 -6.616 955 HE1 TYR 116 1HE TYR 116 4.697 0.685 -10.644 956 HE2 TYR 116 2HE TYR 116 7.208 -0.521 -7.356 957 HH TYR 116 HH TYR 116 5.363 -1.885 -8.785 958 H LEU 117 H LEU 117 3.798 4.807 -4.939 959 HA LEU 117 HA LEU 117 3.977 7.627 -4.765 960 HB2 LEU 117 2HB LEU 117 2.365 6.321 -3.477 961 HB3 LEU 117 1HB LEU 117 3.670 5.505 -2.643 962 HG LEU 117 HG LEU 117 4.408 7.674 -1.668 963 HD11 LEU 117 1HD1 LEU 117 3.644 9.175 -3.457 964 HD12 LEU 117 2HD1 LEU 117 2.982 9.639 -1.902 965 HD13 LEU 117 3HD1 LEU 117 1.962 8.803 -3.062 966 HD21 LEU 117 3HD2 LEU 117 1.519 7.685 -1.015 967 HD22 LEU 117 1HD2 LEU 117 2.934 7.490 0.026 968 HD23 LEU 117 2HD2 LEU 117 2.314 6.115 -0.879 969 H ILE 118 H ILE 118 5.994 4.966 -3.583 970 HA ILE 118 HA ILE 118 8.138 6.936 -3.032 971 HB ILE 118 HB ILE 118 7.554 4.336 -1.585 972 HG12 ILE 118 2HG1 ILE 118 7.419 7.205 -0.550 973 HG13 ILE 118 1HG1 ILE 118 6.012 6.255 -1.026 974 HG21 ILE 118 1HG2 ILE 118 9.722 6.420 -1.171 975 HG22 ILE 118 2HG2 ILE 118 9.971 4.744 -1.677 976 HG23 ILE 118 3HG2 ILE 118 9.378 5.104 -0.063 977 HD11 ILE 118 3HD1 ILE 118 7.186 4.491 0.655 978 HD12 ILE 118 1HD1 ILE 118 6.017 5.708 1.191 979 HD13 ILE 118 2HD1 ILE 118 7.749 6.008 1.356 980 H LYS 119 H LYS 119 9.843 6.671 -4.353 981 HA LYS 119 HA LYS 119 10.081 4.244 -5.940 982 HB2 LYS 119 2HB LYS 119 12.026 6.549 -6.036 983 HB3 LYS 119 1HB LYS 119 11.643 5.391 -7.300 984 HG2 LYS 119 2HG LYS 119 9.772 7.528 -6.229 985 HG3 LYS 119 1HG LYS 119 10.661 7.590 -7.743 986 HD2 LYS 119 2HD LYS 119 9.462 5.275 -8.234 987 HD3 LYS 119 1HD LYS 119 8.288 5.865 -7.049 988 HE2 LYS 119 2HE LYS 119 8.959 6.949 -9.764 989 HE3 LYS 119 1HE LYS 119 7.387 6.721 -9.015 990 HZ1 LYS 119 3HZ LYS 119 9.262 8.965 -8.719 991 HZ2 LYS 119 1HZ LYS 119 8.361 8.547 -7.374 992 HZ3 LYS 119 2HZ LYS 119 7.606 8.990 -8.796 993 HA PRO 120 HA PRO 120 12.986 2.857 -2.819 994 HB2 PRO 120 2HB PRO 120 13.475 0.399 -3.728 995 HB3 PRO 120 1HB PRO 120 11.969 0.803 -2.891 996 HG2 PRO 120 2HG PRO 120 12.380 0.390 -5.805 997 HG3 PRO 120 1HG PRO 120 10.988 0.051 -4.800 998 HD2 PRO 120 2HD PRO 120 11.207 2.304 -6.416 999 HD3 PRO 120 1HD PRO 120 10.066 2.133 -5.067 1000 H LYS 121 H LYS 121 15.245 2.409 -2.793 1001 HA LYS 121 HA LYS 121 16.777 3.787 -4.727 1002 HB2 LYS 121 2HB LYS 121 18.755 2.449 -3.523 1003 HB3 LYS 121 1HB LYS 121 17.917 3.772 -2.743 1004 HG2 LYS 121 2HG LYS 121 18.147 1.911 -1.269 1005 HG3 LYS 121 1HG LYS 121 16.434 2.137 -1.503 1006 HD2 LYS 121 2HD LYS 121 16.486 0.264 -3.142 1007 HD3 LYS 121 1HD LYS 121 18.218 0.058 -2.882 1008 HE2 LYS 121 2HE LYS 121 15.967 -0.316 -0.896 1009 HE3 LYS 121 1HE LYS 121 17.086 -1.535 -1.513 1010 HZ1 LYS 121 3HZ LYS 121 17.479 0.437 0.589 1011 HZ2 LYS 121 1HZ LYS 121 18.808 0.258 -0.446 1012 HZ3 LYS 121 2HZ LYS 121 18.188 -1.075 0.362 1013 H LEU 122 H LEU 122 15.434 2.188 -6.327 1014 HA LEU 122 HA LEU 122 16.592 -0.295 -6.900 1015 HB2 LEU 122 2HB LEU 122 15.152 1.619 -8.761 1016 HB3 LEU 122 1HB LEU 122 15.509 -0.058 -9.136 1017 HG LEU 122 HG LEU 122 13.864 0.889 -6.806 1018 HD11 LEU 122 1HD1 LEU 122 12.545 1.215 -8.759 1019 HD12 LEU 122 2HD1 LEU 122 12.002 -0.316 -8.081 1020 HD13 LEU 122 3HD1 LEU 122 13.085 -0.308 -9.464 1021 HD21 LEU 122 3HD2 LEU 122 15.120 -1.691 -7.408 1022 HD22 LEU 122 1HD2 LEU 122 13.363 -1.842 -7.261 1023 HD23 LEU 122 2HD2 LEU 122 14.305 -1.149 -5.945 1024 H HIS 123 H HIS 123 17.227 2.962 -8.033 1025 HA HIS 123 HA HIS 123 19.847 2.112 -9.058 1026 HB2 HIS 123 2HB HIS 123 17.680 3.523 -10.574 1027 HB3 HIS 123 1HB HIS 123 19.357 3.901 -10.908 1028 HD1 HIS 123 1HD HIS 123 18.808 0.367 -9.884 1029 HD2 HIS 123 2HD HIS 123 18.895 2.553 -13.448 1030 HE1 HIS 123 1HE HIS 123 18.986 -1.315 -11.768 1031 HE2 HIS 123 2HE HIS 123 19.058 0.019 -13.958 1032 HA PRO 124 HA PRO 124 20.855 5.941 -6.861 1033 HB2 PRO 124 2HB PRO 124 23.475 5.375 -8.189 1034 HB3 PRO 124 1HB PRO 124 23.139 5.789 -6.504 1035 HG2 PRO 124 2HG PRO 124 23.693 3.285 -7.097 1036 HG3 PRO 124 1HG PRO 124 22.393 3.677 -5.959 1037 HD2 PRO 124 2HD PRO 124 22.150 2.737 -8.784 1038 HD3 PRO 124 1HD PRO 124 21.128 2.386 -7.370 1039 H VAL 125 H VAL 125 22.543 7.837 -7.838 1040 HA VAL 125 HA VAL 125 21.135 9.060 -9.977 1041 HB VAL 125 HB VAL 125 23.955 9.579 -8.945 1042 HG11 VAL 125 1HG1 VAL 125 23.594 11.838 -9.961 1043 HG12 VAL 125 2HG1 VAL 125 22.165 11.203 -10.769 1044 HG13 VAL 125 3HG1 VAL 125 23.766 10.540 -11.139 1045 HG21 VAL 125 3HG2 VAL 125 21.743 9.861 -7.455 1046 HG22 VAL 125 1HG2 VAL 125 21.621 11.363 -8.382 1047 HG23 VAL 125 2HG2 VAL 125 23.050 11.040 -7.420 1048 H SER 126 H SER 126 24.120 7.261 -9.757 1049 HA SER 126 HA SER 126 24.183 6.851 -12.676 1050 HB2 SER 126 2HB SER 126 26.243 6.084 -10.621 1051 HB3 SER 126 1HB SER 126 26.463 6.106 -12.365 1052 HG SER 126 HG SER 126 26.381 8.133 -10.450 1053 H ASN 127 H ASN 127 24.428 4.595 -13.379 1054 HA ASN 127 HA ASN 127 24.098 2.478 -11.533 1055 HB2 ASN 127 2HB ASN 127 21.821 1.753 -12.431 1056 HB3 ASN 127 1HB ASN 127 21.829 3.079 -11.279 1057 HD21 ASN 127 1HD2 ASN 127 21.487 5.295 -12.150 1058 HD22 ASN 127 2HD2 ASN 127 20.753 5.510 -13.660 Start of MODEL 20 1 H1 GLY 1 H GLY 1 6.482 -0.183 25.851 2 HA2 GLY 1 2HA GLY 1 8.104 0.165 23.940 3 HA3 GLY 1 1HA GLY 1 8.202 -1.585 23.897 4 H ALA 2 H ALA 2 6.828 0.916 22.401 5 HA ALA 2 HA ALA 2 4.122 0.031 22.051 6 HB1 ALA 2 1HB ALA 2 5.775 1.947 20.386 7 HB2 ALA 2 2HB ALA 2 4.646 2.352 21.685 8 HB3 ALA 2 3HB ALA 2 4.042 1.664 20.189 9 H MET 3 H MET 3 5.451 -2.161 21.760 10 HA MET 3 HA MET 3 6.180 -2.828 19.067 11 HB2 MET 3 2HB MET 3 5.609 -4.497 21.527 12 HB3 MET 3 1HB MET 3 6.117 -5.183 19.997 13 HG2 MET 3 2HG MET 3 8.166 -3.853 20.002 14 HG3 MET 3 1HG MET 3 7.687 -3.051 21.499 15 HE1 MET 3 3HE MET 3 7.590 -3.798 23.585 16 HE2 MET 3 1HE MET 3 8.259 -5.289 24.268 17 HE3 MET 3 2HE MET 3 6.651 -5.291 23.574 18 H GLY 4 H GLY 4 4.052 -1.708 18.407 19 HA2 GLY 4 2HA GLY 4 2.315 -3.629 17.286 20 HA3 GLY 4 1HA GLY 4 1.564 -2.915 18.711 21 H SER 5 H SER 5 0.098 -2.299 16.788 22 HA SER 5 HA SER 5 -0.815 -0.688 15.459 23 HB2 SER 5 2HB SER 5 0.007 1.737 16.132 24 HB3 SER 5 1HB SER 5 -1.037 0.815 17.185 25 HG SER 5 HG SER 5 1.766 0.477 17.415 26 H GLY 6 H GLY 6 2.384 -1.444 15.143 27 HA2 GLY 6 2HA GLY 6 3.478 0.571 13.610 28 HA3 GLY 6 1HA GLY 6 3.923 -1.129 13.481 29 H ASP 7 H ASP 7 1.808 -2.359 12.416 30 HA ASP 7 HA ASP 7 1.801 -1.488 9.699 31 HB2 ASP 7 2HB ASP 7 -0.116 -3.126 9.503 32 HB3 ASP 7 1HB ASP 7 1.472 -3.775 9.905 33 H THR 8 H THR 8 -0.429 -1.103 12.337 34 HA THR 8 HA THR 8 -2.497 0.127 10.824 35 HB THR 8 HB THR 8 -1.766 0.751 13.695 36 HG1 THR 8 1HG THR 8 -2.627 -1.553 12.493 37 HG21 THR 8 3HG2 THR 8 -3.515 2.149 12.531 38 HG22 THR 8 1HG2 THR 8 -4.090 1.283 13.946 39 HG23 THR 8 2HG2 THR 8 -4.476 0.694 12.328 40 H GLN 9 H GLN 9 0.331 1.431 12.509 41 HA GLN 9 HA GLN 9 -0.126 4.120 11.657 42 HB2 GLN 9 2HB GLN 9 2.294 2.716 12.775 43 HB3 GLN 9 1HB GLN 9 2.227 4.381 12.108 44 HG2 GLN 9 2HG GLN 9 0.042 3.898 13.958 45 HG3 GLN 9 1HG GLN 9 1.630 3.727 14.718 46 HE21 GLN 9 1HE2 GLN 9 0.202 6.004 12.224 47 HE22 GLN 9 2HE2 GLN 9 0.831 7.362 12.986 48 H LEU 10 H LEU 10 1.919 1.526 10.424 49 HA LEU 10 HA LEU 10 2.882 3.141 8.323 50 HB2 LEU 10 2HB LEU 10 2.616 0.137 8.452 51 HB3 LEU 10 1HB LEU 10 3.496 1.014 7.205 52 HG LEU 10 HG LEU 10 4.150 0.891 10.171 53 HD11 LEU 10 1HD1 LEU 10 5.988 -0.241 9.639 54 HD12 LEU 10 2HD1 LEU 10 6.141 0.585 8.084 55 HD13 LEU 10 3HD1 LEU 10 4.985 -0.750 8.255 56 HD21 LEU 10 3HD2 LEU 10 4.645 3.093 9.903 57 HD22 LEU 10 1HD2 LEU 10 4.886 2.978 8.157 58 HD23 LEU 10 2HD2 LEU 10 6.137 2.407 9.265 59 H PHE 11 H PHE 11 0.083 1.060 8.687 60 HA PHE 11 HA PHE 11 -0.957 1.311 6.077 61 HB2 PHE 11 2HB PHE 11 -1.909 -0.341 7.497 62 HB3 PHE 11 1HB PHE 11 -2.252 0.823 8.763 63 HD1 PHE 11 1HD PHE 11 -3.279 -0.214 5.270 64 HD2 PHE 11 2HD PHE 11 -4.207 2.133 8.779 65 HE1 PHE 11 1HE PHE 11 -5.483 0.252 4.384 66 HE2 PHE 11 2HE PHE 11 -6.457 2.589 7.860 67 HZ PHE 11 HZ PHE 11 -7.105 1.660 5.671 68 H ASN 12 H ASN 12 -1.619 3.266 9.074 69 HA ASN 12 HA ASN 12 -3.267 5.015 7.590 70 HB2 ASN 12 2HB ASN 12 -3.025 6.626 9.501 71 HB3 ASN 12 1HB ASN 12 -3.675 5.050 9.983 72 HD21 ASN 12 1HD2 ASN 12 -2.863 4.747 12.011 73 HD22 ASN 12 2HD2 ASN 12 -1.322 5.070 12.573 74 H ARG 13 H ARG 13 0.107 5.103 8.389 75 HA ARG 13 HA ARG 13 0.653 7.604 7.160 76 HB2 ARG 13 2HB ARG 13 2.324 5.186 7.808 77 HB3 ARG 13 1HB ARG 13 2.983 6.622 7.024 78 HG2 ARG 13 2HG ARG 13 2.331 8.053 8.809 79 HG3 ARG 13 1HG ARG 13 1.395 6.780 9.595 80 HD2 ARG 13 2HD ARG 13 3.190 5.702 10.347 81 HD3 ARG 13 1HD ARG 13 4.367 6.326 9.187 82 HE ARG 13 HE ARG 13 4.031 8.551 10.365 83 HH11 ARG 13 1HH2 ARG 13 3.660 5.528 12.115 84 HH12 ARG 13 2HH2 ARG 13 3.733 6.295 13.652 85 HH21 ARG 13 1HH1 ARG 13 4.165 9.504 12.406 86 HH22 ARG 13 2HH1 ARG 13 4.063 8.577 13.822 87 H ALA 14 H ALA 14 0.752 4.271 5.939 88 HA ALA 14 HA ALA 14 1.585 5.024 3.323 89 HB1 ALA 14 1HB ALA 14 1.987 2.792 4.117 90 HB2 ALA 14 2HB ALA 14 0.956 2.702 2.691 91 HB3 ALA 14 3HB ALA 14 0.265 2.490 4.297 92 H VAL 15 H VAL 15 -1.594 4.094 4.642 93 HA VAL 15 HA VAL 15 -2.909 4.258 2.210 94 HB VAL 15 HB VAL 15 -3.647 3.289 4.553 95 HG11 VAL 15 1HG1 VAL 15 -5.225 4.621 5.757 96 HG12 VAL 15 2HG1 VAL 15 -5.149 5.912 4.570 97 HG13 VAL 15 3HG1 VAL 15 -3.762 5.587 5.606 98 HG21 VAL 15 3HG2 VAL 15 -4.963 2.711 2.707 99 HG22 VAL 15 1HG2 VAL 15 -5.386 4.389 2.352 100 HG23 VAL 15 2HG2 VAL 15 -6.098 3.570 3.740 101 H SER 16 H SER 16 -2.325 6.737 4.717 102 HA SER 16 HA SER 16 -4.003 8.695 3.622 103 HB2 SER 16 2HB SER 16 -1.485 9.060 5.248 104 HB3 SER 16 1HB SER 16 -2.744 10.249 4.955 105 HG SER 16 HG SER 16 -2.787 7.853 6.418 106 H MET 17 H MET 17 -0.582 7.940 3.088 107 HA MET 17 HA MET 17 -0.159 10.185 1.411 108 HB2 MET 17 2HB MET 17 1.299 7.532 1.450 109 HB3 MET 17 1HB MET 17 1.835 8.989 0.579 110 HG2 MET 17 2HG MET 17 1.716 10.190 2.850 111 HG3 MET 17 1HG MET 17 1.518 8.648 3.554 112 HE1 MET 17 3HE MET 17 3.111 6.510 2.230 113 HE2 MET 17 1HE MET 17 3.178 6.855 3.966 114 HE3 MET 17 2HE MET 17 4.655 6.599 3.060 115 H VAL 18 H VAL 18 -1.179 6.866 0.683 116 HA VAL 18 HA VAL 18 -1.241 7.376 -2.125 117 HB VAL 18 HB VAL 18 -2.391 5.232 -2.340 118 HG11 VAL 18 1HG1 VAL 18 -0.567 3.849 -1.387 119 HG12 VAL 18 2HG1 VAL 18 -0.079 5.178 -0.364 120 HG13 VAL 18 3HG1 VAL 18 0.098 5.312 -2.117 121 HG21 VAL 18 3HG2 VAL 18 -3.778 5.288 -0.295 122 HG22 VAL 18 1HG2 VAL 18 -2.307 5.281 0.677 123 HG23 VAL 18 2HG2 VAL 18 -2.740 3.861 -0.271 124 H GLU 19 H GLU 19 -3.775 7.301 0.396 125 HA GLU 19 HA GLU 19 -5.968 7.647 -1.327 126 HB2 GLU 19 2HB GLU 19 -5.558 8.563 1.531 127 HB3 GLU 19 1HB GLU 19 -7.091 8.666 0.675 128 HG2 GLU 19 2HG GLU 19 -7.124 6.214 0.413 129 HG3 GLU 19 1HG GLU 19 -5.570 6.083 1.182 130 H LYS 20 H LYS 20 -3.847 9.971 0.237 131 HA LYS 20 HA LYS 20 -5.367 12.189 -0.903 132 HB2 LYS 20 2HB LYS 20 -2.953 12.384 0.878 133 HB3 LYS 20 1HB LYS 20 -4.228 13.596 0.614 134 HG2 LYS 20 2HG LYS 20 -4.501 10.945 2.112 135 HG3 LYS 20 1HG LYS 20 -4.680 12.570 2.758 136 HD2 LYS 20 2HD LYS 20 -6.754 12.910 1.540 137 HD3 LYS 20 1HD LYS 20 -6.478 11.476 0.581 138 HE2 LYS 20 2HE LYS 20 -8.067 10.847 2.245 139 HE3 LYS 20 1HE LYS 20 -6.560 10.092 2.661 140 HZ1 LYS 20 3HZ LYS 20 -8.013 11.775 4.286 141 HZ2 LYS 20 1HZ LYS 20 -6.674 12.685 3.868 142 HZ3 LYS 20 2HZ LYS 20 -6.490 11.184 4.600 143 H ASN 21 H ASN 21 -3.115 10.291 -2.138 144 HA ASN 21 HA ASN 21 -1.364 12.282 -3.288 145 HB2 ASN 21 2HB ASN 21 -0.531 10.006 -3.021 146 HB3 ASN 21 1HB ASN 21 -1.801 9.380 -4.050 147 HD21 ASN 21 1HD2 ASN 21 1.415 10.236 -4.122 148 HD22 ASN 21 2HD2 ASN 21 1.548 10.614 -5.768 149 H LYS 22 H LYS 22 -2.001 13.617 -4.725 150 HA LYS 22 HA LYS 22 -4.451 13.778 -5.905 151 HB2 LYS 22 2HB LYS 22 -3.519 15.433 -7.448 152 HB3 LYS 22 1HB LYS 22 -2.975 15.698 -5.806 153 HG2 LYS 22 2HG LYS 22 -1.326 14.235 -7.933 154 HG3 LYS 22 1HG LYS 22 -1.167 15.929 -7.533 155 HD2 LYS 22 2HD LYS 22 -0.904 15.023 -5.041 156 HD3 LYS 22 1HD LYS 22 -0.352 13.559 -5.874 157 HE2 LYS 22 2HE LYS 22 0.814 16.340 -5.933 158 HE3 LYS 22 1HE LYS 22 1.591 14.848 -5.467 159 HZ1 LYS 22 3HZ LYS 22 2.386 15.000 -7.535 160 HZ2 LYS 22 1HZ LYS 22 1.098 15.876 -8.167 161 HZ3 LYS 22 2HZ LYS 22 1.008 14.173 -7.933 162 H ASP 23 H ASP 23 -1.557 12.355 -7.373 163 HA ASP 23 HA ASP 23 -2.778 11.809 -9.882 164 HB2 ASP 23 2HB ASP 23 -0.293 11.796 -9.369 165 HB3 ASP 23 1HB ASP 23 -0.531 10.227 -8.625 166 H ILE 24 H ILE 24 -2.286 9.906 -6.967 167 HA ILE 24 HA ILE 24 -3.674 7.609 -7.915 168 HB ILE 24 HB ILE 24 -3.117 8.525 -5.080 169 HG12 ILE 24 2HG1 ILE 24 -1.892 6.272 -6.712 170 HG13 ILE 24 1HG1 ILE 24 -1.156 7.864 -6.605 171 HG21 ILE 24 1HG2 ILE 24 -3.526 5.870 -4.865 172 HG22 ILE 24 2HG2 ILE 24 -4.637 6.216 -6.179 173 HG23 ILE 24 3HG2 ILE 24 -4.805 7.055 -4.628 174 HD11 ILE 24 3HD1 ILE 24 -1.894 6.709 -4.004 175 HD12 ILE 24 1HD1 ILE 24 -0.393 7.504 -4.502 176 HD13 ILE 24 2HD1 ILE 24 -0.675 5.800 -4.887 177 H ARG 25 H ARG 25 -4.681 10.446 -6.041 178 HA ARG 25 HA ARG 25 -7.354 9.779 -5.515 179 HB2 ARG 25 2HB ARG 25 -6.056 12.388 -6.224 180 HB3 ARG 25 1HB ARG 25 -7.775 12.290 -5.938 181 HG2 ARG 25 2HG ARG 25 -7.333 11.371 -3.660 182 HG3 ARG 25 1HG ARG 25 -5.608 11.442 -3.966 183 HD2 ARG 25 2HD ARG 25 -6.698 13.478 -2.700 184 HD3 ARG 25 1HD ARG 25 -5.524 13.787 -3.942 185 HE ARG 25 HE ARG 25 -7.170 14.840 -5.158 186 HH11 ARG 25 1HH2 ARG 25 -8.667 12.647 -2.883 187 HH12 ARG 25 2HH2 ARG 25 -10.270 13.064 -3.333 188 HH21 ARG 25 1HH1 ARG 25 -9.321 15.392 -5.722 189 HH22 ARG 25 2HH1 ARG 25 -10.653 14.657 -4.943 190 H SER 26 H SER 26 -5.871 11.224 -8.327 191 HA SER 26 HA SER 26 -8.186 11.560 -9.871 192 HB2 SER 26 2HB SER 26 -5.388 10.991 -10.769 193 HB3 SER 26 1HB SER 26 -6.641 11.779 -11.737 194 HG SER 26 HG SER 26 -5.271 12.658 -9.395 195 H LEU 27 H LEU 27 -5.886 8.857 -9.580 196 HA LEU 27 HA LEU 27 -7.154 7.122 -11.487 197 HB2 LEU 27 2HB LEU 27 -5.435 6.471 -9.065 198 HB3 LEU 27 1HB LEU 27 -5.939 5.326 -10.292 199 HG LEU 27 HG LEU 27 -4.312 7.811 -10.839 200 HD11 LEU 27 1HD1 LEU 27 -3.019 5.246 -11.357 201 HD12 LEU 27 2HD1 LEU 27 -3.419 5.468 -9.661 202 HD13 LEU 27 3HD1 LEU 27 -2.425 6.660 -10.493 203 HD21 LEU 27 3HD2 LEU 27 -3.953 6.217 -13.018 204 HD22 LEU 27 1HD2 LEU 27 -5.242 7.406 -12.909 205 HD23 LEU 27 2HD2 LEU 27 -5.574 5.713 -12.562 206 H LEU 28 H LEU 28 -7.414 7.619 -8.017 207 HA LEU 28 HA LEU 28 -9.349 5.557 -7.568 208 HB2 LEU 28 2HB LEU 28 -8.581 7.960 -5.912 209 HB3 LEU 28 1HB LEU 28 -9.645 6.716 -5.308 210 HG LEU 28 HG LEU 28 -6.741 6.380 -6.153 211 HD11 LEU 28 1HD1 LEU 28 -8.118 6.347 -3.455 212 HD12 LEU 28 2HD1 LEU 28 -6.926 7.514 -4.010 213 HD13 LEU 28 3HD1 LEU 28 -6.458 5.848 -3.716 214 HD21 LEU 28 3HD2 LEU 28 -8.026 4.315 -6.641 215 HD22 LEU 28 1HD2 LEU 28 -8.703 4.347 -5.009 216 HD23 LEU 28 2HD2 LEU 28 -6.985 4.088 -5.243 217 H GLN 29 H GLN 29 -9.520 8.671 -8.905 218 HA GLN 29 HA GLN 29 -11.251 10.085 -9.477 219 HB2 GLN 29 2HB GLN 29 -13.184 7.872 -8.731 220 HB3 GLN 29 1HB GLN 29 -13.403 9.158 -9.913 221 HG2 GLN 29 2HG GLN 29 -11.392 6.887 -10.194 222 HG3 GLN 29 1HG GLN 29 -12.963 6.953 -10.978 223 HE21 GLN 29 1HE2 GLN 29 -10.018 7.154 -12.022 224 HE22 GLN 29 2HE2 GLN 29 -10.094 8.488 -13.055 225 H CYS 30 H CYS 30 -10.129 9.773 -6.881 226 HA CYS 30 HA CYS 30 -11.917 9.561 -4.762 227 HB2 CYS 30 2HB CYS 30 -9.437 9.382 -4.620 228 HB3 CYS 30 1HB CYS 30 -9.351 11.141 -4.719 229 HG CYS 30 HG CYS 30 -9.915 11.233 -2.317 230 H ASP 31 H ASP 31 -13.521 11.054 -6.129 231 HA ASP 31 HA ASP 31 -13.376 13.762 -4.981 232 HB2 ASP 31 2HB ASP 31 -13.628 13.550 -7.489 233 HB3 ASP 31 1HB ASP 31 -15.234 12.897 -7.185 234 H ASP 32 H ASP 32 -14.634 14.231 -3.343 235 HA ASP 32 HA ASP 32 -16.940 12.478 -2.736 236 HB2 ASP 32 2HB ASP 32 -15.538 14.548 -1.013 237 HB3 ASP 32 1HB ASP 32 -16.973 13.697 -0.540 238 H GLY 33 H GLY 33 -18.773 13.164 -3.688 239 HA2 GLY 33 2HA GLY 33 -20.519 14.903 -3.457 240 HA3 GLY 33 1HA GLY 33 -19.281 16.093 -3.820 241 H ILE 34 H ILE 34 -18.302 13.683 -5.663 242 HA ILE 34 HA ILE 34 -19.220 14.735 -8.126 243 HB ILE 34 HB ILE 34 -17.152 13.580 -8.083 244 HG12 ILE 34 2HG1 ILE 34 -19.055 11.647 -9.393 245 HG13 ILE 34 1HG1 ILE 34 -18.730 13.200 -10.127 246 HG21 ILE 34 1HG2 ILE 34 -18.132 11.949 -6.111 247 HG22 ILE 34 2HG2 ILE 34 -16.714 11.600 -7.073 248 HG23 ILE 34 3HG2 ILE 34 -18.219 10.870 -7.499 249 HD11 ILE 34 3HD1 ILE 34 -16.547 12.616 -10.604 250 HD12 ILE 34 1HD1 ILE 34 -17.357 11.045 -10.713 251 HD13 ILE 34 2HD1 ILE 34 -16.454 11.479 -9.253 252 H THR 35 H THR 35 -20.201 11.951 -6.225 253 HA THR 35 HA THR 35 -22.777 12.049 -7.548 254 HB THR 35 HB THR 35 -22.829 9.900 -8.294 255 HG1 THR 35 1HG THR 35 -22.098 9.214 -6.039 256 HG21 THR 35 3HG2 THR 35 -19.852 10.236 -8.273 257 HG22 THR 35 1HG2 THR 35 -20.948 11.037 -9.413 258 HG23 THR 35 2HG2 THR 35 -20.815 9.278 -9.385 259 H GLY 36 H GLY 36 -22.286 13.185 -5.248 260 HA2 GLY 36 2HA GLY 36 -23.062 13.148 -2.980 261 HA3 GLY 36 1HA GLY 36 -23.162 11.379 -3.132 262 H LYS 37 H LYS 37 -21.764 11.622 -1.084 263 HA LYS 37 HA LYS 37 -18.928 11.782 -1.968 264 HB2 LYS 37 2HB LYS 37 -20.053 12.157 0.840 265 HB3 LYS 37 1HB LYS 37 -18.365 12.194 0.376 266 HG2 LYS 37 2HG LYS 37 -18.879 14.470 0.362 267 HG3 LYS 37 1HG LYS 37 -19.101 14.055 -1.329 268 HD2 LYS 37 2HD LYS 37 -21.004 15.310 -0.804 269 HD3 LYS 37 1HD LYS 37 -21.603 13.671 -0.731 270 HE2 LYS 37 2HE LYS 37 -22.172 13.907 1.413 271 HE3 LYS 37 1HE LYS 37 -20.542 14.377 1.881 272 HZ1 LYS 37 3HZ LYS 37 -22.112 16.089 2.394 273 HZ2 LYS 37 1HZ LYS 37 -22.692 16.106 0.813 274 HZ3 LYS 37 2HZ LYS 37 -21.099 16.657 1.160 275 H GLU 38 H GLU 38 -18.046 9.863 -2.230 276 HA GLU 38 HA GLU 38 -19.226 7.573 -0.926 277 HB2 GLU 38 2HB GLU 38 -17.993 7.892 -3.394 278 HB3 GLU 38 1HB GLU 38 -16.844 6.887 -2.456 279 HG2 GLU 38 2HG GLU 38 -19.703 6.367 -3.240 280 HG3 GLU 38 1HG GLU 38 -18.303 5.377 -3.501 281 H ARG 39 H ARG 39 -18.077 6.144 0.379 282 HA ARG 39 HA ARG 39 -16.034 7.498 2.010 283 HB2 ARG 39 2HB ARG 39 -17.398 4.834 2.463 284 HB3 ARG 39 1HB ARG 39 -16.404 5.705 3.618 285 HG2 ARG 39 2HG ARG 39 -19.007 6.749 2.451 286 HG3 ARG 39 1HG ARG 39 -18.838 6.008 4.030 287 HD2 ARG 39 2HD ARG 39 -17.223 7.773 4.686 288 HD3 ARG 39 1HD ARG 39 -17.454 8.565 3.138 289 HE ARG 39 HE ARG 39 -19.365 8.417 5.350 290 HH11 ARG 39 1HH2 ARG 39 -18.707 9.286 2.029 291 HH12 ARG 39 2HH2 ARG 39 -20.080 10.273 1.844 292 HH21 ARG 39 1HH1 ARG 39 -21.184 9.769 5.139 293 HH22 ARG 39 2HH1 ARG 39 -21.511 10.591 3.682 294 H LEU 40 H LEU 40 -13.941 7.055 1.807 295 HA LEU 40 HA LEU 40 -12.982 5.018 -0.012 296 HB2 LEU 40 2HB LEU 40 -11.528 6.829 1.950 297 HB3 LEU 40 1HB LEU 40 -10.746 5.659 0.913 298 HG LEU 40 HG LEU 40 -12.177 6.871 -0.996 299 HD11 LEU 40 1HD1 LEU 40 -12.000 8.856 1.265 300 HD12 LEU 40 2HD1 LEU 40 -13.366 8.495 0.216 301 HD13 LEU 40 3HD1 LEU 40 -11.989 9.396 -0.412 302 HD21 LEU 40 3HD2 LEU 40 -9.535 7.625 0.254 303 HD22 LEU 40 1HD2 LEU 40 -10.131 8.503 -1.155 304 HD23 LEU 40 2HD2 LEU 40 -9.845 6.772 -1.253 305 H LYS 41 H LYS 41 -12.166 3.044 0.507 306 HA LYS 41 HA LYS 41 -11.900 2.356 3.343 307 HB2 LYS 41 2HB LYS 41 -13.410 0.713 1.295 308 HB3 LYS 41 1HB LYS 41 -12.966 0.141 2.891 309 HG2 LYS 41 2HG LYS 41 -14.421 2.759 2.880 310 HG3 LYS 41 1HG LYS 41 -15.331 1.377 2.316 311 HD2 LYS 41 2HD LYS 41 -15.699 1.451 4.653 312 HD3 LYS 41 1HD LYS 41 -14.588 0.119 4.384 313 HE2 LYS 41 2HE LYS 41 -13.864 1.543 6.299 314 HE3 LYS 41 1HE LYS 41 -12.677 1.528 4.999 315 HZ1 LYS 41 3HZ LYS 41 -13.214 3.715 5.978 316 HZ2 LYS 41 1HZ LYS 41 -14.735 3.674 5.301 317 HZ3 LYS 41 2HZ LYS 41 -13.319 3.728 4.325 318 H ALA 42 H ALA 42 -10.255 0.985 3.803 319 HA ALA 42 HA ALA 42 -8.861 -0.213 1.551 320 HB1 ALA 42 1HB ALA 42 -6.659 0.328 2.592 321 HB2 ALA 42 2HB ALA 42 -7.502 1.299 3.805 322 HB3 ALA 42 3HB ALA 42 -7.541 1.776 2.124 323 H TYR 43 H TYR 43 -8.120 -2.259 1.932 324 HA TYR 43 HA TYR 43 -8.299 -3.416 4.613 325 HB2 TYR 43 2HB TYR 43 -10.057 -5.037 3.781 326 HB3 TYR 43 1HB TYR 43 -10.592 -3.384 4.116 327 HD1 TYR 43 1HD TYR 43 -9.594 -5.713 1.393 328 HD2 TYR 43 2HD TYR 43 -11.361 -1.936 2.379 329 HE1 TYR 43 1HE TYR 43 -10.310 -5.450 -0.929 330 HE2 TYR 43 2HE TYR 43 -12.073 -1.658 0.046 331 HH TYR 43 HH TYR 43 -12.423 -2.859 -1.935 332 H GLY 44 H GLY 44 -8.115 -5.898 4.504 333 HA2 GLY 44 2HA GLY 44 -5.863 -6.655 2.974 334 HA3 GLY 44 1HA GLY 44 -6.824 -7.653 4.061 335 H GLU 45 H GLU 45 -5.902 -7.823 1.180 336 HA GLU 45 HA GLU 45 -7.736 -7.617 -0.729 337 HB2 GLU 45 2HB GLU 45 -5.704 -9.580 -0.178 338 HB3 GLU 45 1HB GLU 45 -6.629 -9.873 -1.674 339 HG2 GLU 45 2HG GLU 45 -6.095 -7.547 -2.303 340 HG3 GLU 45 1HG GLU 45 -5.058 -7.359 -0.874 341 H LEU 46 H LEU 46 -9.432 -8.507 -1.557 342 HA LEU 46 HA LEU 46 -11.318 -10.081 -0.130 343 HB2 LEU 46 2HB LEU 46 -11.233 -9.804 -3.145 344 HB3 LEU 46 1HB LEU 46 -12.614 -9.980 -2.103 345 HG LEU 46 HG LEU 46 -12.685 -7.714 -2.633 346 HD11 LEU 46 1HD1 LEU 46 -10.980 -7.644 -0.099 347 HD12 LEU 46 2HD1 LEU 46 -12.671 -8.133 -0.138 348 HD13 LEU 46 3HD1 LEU 46 -12.222 -6.514 -0.617 349 HD21 LEU 46 3HD2 LEU 46 -9.861 -6.977 -2.012 350 HD22 LEU 46 1HD2 LEU 46 -10.907 -6.463 -3.326 351 HD23 LEU 46 2HD2 LEU 46 -10.062 -8.003 -3.417 352 H ILE 47 H ILE 47 -9.002 -10.619 -2.645 353 HA ILE 47 HA ILE 47 -9.648 -13.440 -2.808 354 HB ILE 47 HB ILE 47 -8.190 -13.434 -4.799 355 HG12 ILE 47 2HG1 ILE 47 -8.019 -10.425 -4.337 356 HG13 ILE 47 1HG1 ILE 47 -6.690 -11.549 -4.043 357 HG21 ILE 47 1HG2 ILE 47 -10.632 -12.922 -4.917 358 HG22 ILE 47 2HG2 ILE 47 -9.714 -12.140 -6.200 359 HG23 ILE 47 3HG2 ILE 47 -10.267 -11.197 -4.816 360 HD11 ILE 47 3HD1 ILE 47 -6.650 -10.390 -6.295 361 HD12 ILE 47 1HD1 ILE 47 -8.096 -11.308 -6.698 362 HD13 ILE 47 2HD1 ILE 47 -6.584 -12.149 -6.363 363 H THR 48 H THR 48 -7.977 -11.924 -0.643 364 HA THR 48 HA THR 48 -5.394 -12.604 -0.539 365 HB THR 48 HB THR 48 -6.058 -13.410 1.926 366 HG1 THR 48 1HG THR 48 -8.225 -11.687 1.391 367 HG21 THR 48 3HG2 THR 48 -6.517 -10.492 1.553 368 HG22 THR 48 1HG2 THR 48 -4.965 -11.148 1.009 369 HG23 THR 48 2HG2 THR 48 -5.494 -11.365 2.662 370 H ASN 49 H ASN 49 -7.604 -14.647 1.214 371 HA ASN 49 HA ASN 49 -6.735 -17.111 -0.166 372 HB2 ASN 49 2HB ASN 49 -5.993 -17.214 2.259 373 HB3 ASN 49 1HB ASN 49 -7.650 -16.942 2.726 374 HD21 ASN 49 1HD2 ASN 49 -8.765 -18.825 3.205 375 HD22 ASN 49 2HD2 ASN 49 -8.446 -20.328 2.489 376 H ASP 50 H ASP 50 -9.231 -16.447 2.203 377 HA ASP 50 HA ASP 50 -11.302 -17.100 0.245 378 HB2 ASP 50 2HB ASP 50 -12.739 -17.417 2.343 379 HB3 ASP 50 1HB ASP 50 -11.525 -18.627 1.992 380 H LYS 51 H LYS 51 -11.671 -15.387 3.268 381 HA LYS 51 HA LYS 51 -13.374 -13.493 1.941 382 HB2 LYS 51 2HB LYS 51 -12.598 -13.757 4.849 383 HB3 LYS 51 1HB LYS 51 -13.833 -12.671 4.213 384 HG2 LYS 51 2HG LYS 51 -15.119 -14.544 3.313 385 HG3 LYS 51 1HG LYS 51 -13.878 -15.678 3.797 386 HD2 LYS 51 2HD LYS 51 -15.457 -15.874 5.496 387 HD3 LYS 51 1HD LYS 51 -14.241 -14.821 6.194 388 HE2 LYS 51 2HE LYS 51 -15.580 -12.876 5.927 389 HE3 LYS 51 1HE LYS 51 -16.640 -13.659 4.753 390 HZ1 LYS 51 3HZ LYS 51 -17.724 -14.825 6.378 391 HZ2 LYS 51 1HZ LYS 51 -17.459 -13.389 7.182 392 HZ3 LYS 51 2HZ LYS 51 -16.498 -14.745 7.515 393 H TRP 52 H TRP 52 -11.526 -12.140 4.592 394 HA TRP 52 HA TRP 52 -10.509 -10.094 2.701 395 HB2 TRP 52 2HB TRP 52 -11.444 -9.709 5.563 396 HB3 TRP 52 1HB TRP 52 -10.754 -8.473 4.536 397 HD1 TRP 52 HD TRP 52 -13.780 -10.818 4.675 398 HE1 TRP 52 1HE TRP 52 -15.694 -9.776 3.326 399 HE3 TRP 52 3HE TRP 52 -11.363 -6.772 2.765 400 HZ2 TRP 52 2HZ TRP 52 -16.148 -7.501 1.641 401 HZ3 TRP 52 3HZ TRP 52 -12.591 -5.165 1.282 402 HH2 TRP 52 HH TRP 52 -14.957 -5.545 0.736 403 H THR 53 H THR 53 -9.801 -10.992 6.027 404 HA THR 53 HA THR 53 -7.184 -9.857 5.883 405 HB THR 53 HB THR 53 -7.200 -10.654 8.340 406 HG1 THR 53 1HG THR 53 -9.269 -11.158 9.045 407 HG21 THR 53 3HG2 THR 53 -8.043 -8.382 7.165 408 HG22 THR 53 1HG2 THR 53 -8.205 -8.675 8.885 409 HG23 THR 53 2HG2 THR 53 -9.583 -8.917 7.822 410 H ARG 54 H ARG 54 -7.941 -12.688 4.702 411 HA ARG 54 HA ARG 54 -6.576 -14.682 6.083 412 HB2 ARG 54 2HB ARG 54 -7.201 -14.412 3.141 413 HB3 ARG 54 1HB ARG 54 -6.560 -15.858 3.937 414 HG2 ARG 54 2HG ARG 54 -8.920 -16.152 3.915 415 HG3 ARG 54 1HG ARG 54 -8.497 -15.670 5.557 416 HD2 ARG 54 2HD ARG 54 -9.160 -13.440 3.672 417 HD3 ARG 54 1HD ARG 54 -10.473 -14.465 4.113 418 HE ARG 54 HE ARG 54 -9.063 -12.696 5.929 419 HH11 ARG 54 1HH2 ARG 54 -11.187 -15.498 5.589 420 HH12 ARG 54 2HH2 ARG 54 -11.804 -15.306 7.168 421 HH21 ARG 54 1HH1 ARG 54 -9.885 -12.496 7.983 422 HH22 ARG 54 2HH1 ARG 54 -11.064 -13.602 8.559 423 H ASN 55 H ASN 55 -5.300 -14.273 2.945 424 HA ASN 55 HA ASN 55 -2.752 -15.003 3.454 425 HB2 ASN 55 2HB ASN 55 -3.887 -14.465 1.177 426 HB3 ASN 55 1HB ASN 55 -3.189 -12.873 1.357 427 HD21 ASN 55 1HD2 ASN 55 -2.418 -14.974 -0.629 428 HD22 ASN 55 2HD2 ASN 55 -0.784 -15.276 -0.335 429 H ARG 56 H ARG 56 -2.946 -11.580 2.469 430 HA ARG 56 HA ARG 56 -1.471 -10.943 4.906 431 HB2 ARG 56 2HB ARG 56 -0.824 -8.852 3.313 432 HB3 ARG 56 1HB ARG 56 0.199 -10.214 3.632 433 HG2 ARG 56 2HG ARG 56 -1.682 -10.818 1.423 434 HG3 ARG 56 1HG ARG 56 -0.712 -9.402 1.106 435 HD2 ARG 56 2HD ARG 56 0.375 -11.474 0.308 436 HD3 ARG 56 1HD ARG 56 1.370 -10.620 1.459 437 HE ARG 56 HE ARG 56 -0.103 -13.150 1.922 438 HH11 ARG 56 1HH2 ARG 56 2.171 -10.724 3.090 439 HH12 ARG 56 2HH2 ARG 56 2.540 -11.625 4.496 440 HH21 ARG 56 1HH1 ARG 56 0.439 -14.294 3.767 441 HH22 ARG 56 2HH1 ARG 56 1.571 -13.662 4.888 442 HA PRO 57 HA PRO 57 -5.120 -8.278 5.346 443 HB2 PRO 57 2HB PRO 57 -5.019 -8.167 8.013 444 HB3 PRO 57 1HB PRO 57 -5.703 -9.584 7.193 445 HG2 PRO 57 2HG PRO 57 -2.994 -9.286 8.404 446 HG3 PRO 57 1HG PRO 57 -4.124 -10.650 8.475 447 HD2 PRO 57 2HD PRO 57 -2.011 -10.549 6.779 448 HD3 PRO 57 1HD PRO 57 -3.499 -11.474 6.419 449 H ILE 58 H ILE 58 -5.037 -6.017 6.296 450 HA ILE 58 HA ILE 58 -2.702 -4.673 5.618 451 HB ILE 58 HB ILE 58 -4.817 -3.796 7.609 452 HG12 ILE 58 2HG1 ILE 58 -4.511 -3.033 4.693 453 HG13 ILE 58 1HG1 ILE 58 -5.551 -4.358 5.185 454 HG21 ILE 58 1HG2 ILE 58 -4.027 -1.601 7.282 455 HG22 ILE 58 2HG2 ILE 58 -2.930 -2.104 5.988 456 HG23 ILE 58 3HG2 ILE 58 -2.581 -2.540 7.662 457 HD11 ILE 58 3HD1 ILE 58 -5.831 -1.696 6.530 458 HD12 ILE 58 1HD1 ILE 58 -7.030 -2.965 6.308 459 HD13 ILE 58 2HD1 ILE 58 -6.554 -1.948 4.942 460 H VAL 59 H VAL 59 -1.013 -5.846 6.504 461 HA VAL 59 HA VAL 59 -0.218 -5.030 9.164 462 HB VAL 59 HB VAL 59 0.394 -7.280 9.846 463 HG11 VAL 59 1HG1 VAL 59 -1.925 -6.538 10.274 464 HG12 VAL 59 2HG1 VAL 59 -1.799 -8.291 10.064 465 HG13 VAL 59 3HG1 VAL 59 -2.438 -7.297 8.760 466 HG21 VAL 59 3HG2 VAL 59 -0.738 -9.084 8.131 467 HG22 VAL 59 1HG2 VAL 59 0.959 -8.650 8.071 468 HG23 VAL 59 2HG2 VAL 59 -0.182 -7.890 6.973 469 H SER 60 H SER 60 2.144 -6.448 9.255 470 HA SER 60 HA SER 60 3.265 -6.370 6.623 471 HB2 SER 60 2HB SER 60 5.353 -5.215 7.341 472 HB3 SER 60 1HB SER 60 3.949 -4.178 7.303 473 HG SER 60 HG SER 60 3.771 -4.739 9.638 474 H THR 61 H THR 61 4.772 -7.935 6.269 475 HA THR 61 HA THR 61 5.046 -9.941 8.316 476 HB THR 61 HB THR 61 6.394 -11.123 6.585 477 HG1 THR 61 1HG THR 61 6.871 -10.122 4.722 478 HG21 THR 61 3HG2 THR 61 3.641 -10.196 6.252 479 HG22 THR 61 1HG2 THR 61 4.346 -11.783 5.979 480 HG23 THR 61 2HG2 THR 61 4.404 -10.554 4.713 481 H LYS 62 H LYS 62 7.360 -10.776 8.675 482 HA LYS 62 HA LYS 62 9.175 -8.488 9.083 483 HB2 LYS 62 2HB LYS 62 8.591 -10.679 11.093 484 HB3 LYS 62 1HB LYS 62 9.730 -9.359 11.290 485 HG2 LYS 62 2HG LYS 62 6.740 -8.946 10.849 486 HG3 LYS 62 1HG LYS 62 7.524 -8.938 12.419 487 HD2 LYS 62 2HD LYS 62 8.728 -6.995 11.983 488 HD3 LYS 62 1HD LYS 62 8.517 -7.048 10.246 489 HE2 LYS 62 2HE LYS 62 6.161 -6.814 12.117 490 HE3 LYS 62 1HE LYS 62 7.076 -5.401 11.585 491 HZ1 LYS 62 3HZ LYS 62 6.643 -6.775 9.258 492 HZ2 LYS 62 1HZ LYS 62 5.622 -5.508 9.767 493 HZ3 LYS 62 2HZ LYS 62 5.240 -7.088 10.126 494 H LYS 63 H LYS 63 10.653 -8.972 7.580 495 HA LYS 63 HA LYS 63 11.974 -11.587 7.899 496 HB2 LYS 63 2HB LYS 63 11.918 -9.915 5.363 497 HB3 LYS 63 1HB LYS 63 12.729 -11.456 5.602 498 HG2 LYS 63 2HG LYS 63 10.321 -12.336 6.294 499 HG3 LYS 63 1HG LYS 63 9.762 -10.926 5.437 500 HD2 LYS 63 2HD LYS 63 11.691 -12.863 4.158 501 HD3 LYS 63 1HD LYS 63 9.953 -13.073 4.076 502 HE2 LYS 63 2HE LYS 63 9.745 -10.776 3.094 503 HE3 LYS 63 1HE LYS 63 11.514 -10.672 3.027 504 HZ1 LYS 63 3HZ LYS 63 9.984 -12.870 1.722 505 HZ2 LYS 63 1HZ LYS 63 11.577 -12.374 1.431 506 HZ3 LYS 63 2HZ LYS 63 10.265 -11.401 0.987 507 H LEU 64 H LEU 64 14.095 -11.493 8.375 508 HA LEU 64 HA LEU 64 15.329 -8.813 8.412 509 HB2 LEU 64 2HB LEU 64 14.732 -9.556 10.681 510 HB3 LEU 64 1HB LEU 64 15.616 -11.055 10.435 511 HG LEU 64 HG LEU 64 17.733 -9.843 10.236 512 HD11 LEU 64 1HD1 LEU 64 17.341 -7.761 9.252 513 HD12 LEU 64 2HD1 LEU 64 17.408 -7.297 10.960 514 HD13 LEU 64 3HD1 LEU 64 15.856 -7.516 10.182 515 HD21 LEU 64 3HD2 LEU 64 16.738 -10.374 12.541 516 HD22 LEU 64 1HD2 LEU 64 16.184 -8.695 12.561 517 HD23 LEU 64 2HD2 LEU 64 17.908 -9.050 12.496 518 H ASP 65 H ASP 65 17.170 -8.632 7.299 519 HA ASP 65 HA ASP 65 18.492 -11.119 6.483 520 HB2 ASP 65 2HB ASP 65 17.375 -9.099 4.833 521 HB3 ASP 65 1HB ASP 65 19.088 -8.879 4.731 522 H LYS 66 H LYS 66 20.689 -10.309 5.390 523 HA LYS 66 HA LYS 66 22.626 -9.907 7.307 524 HB2 LYS 66 2HB LYS 66 24.108 -9.184 5.505 525 HB3 LYS 66 1HB LYS 66 23.134 -10.565 4.995 526 HG2 LYS 66 2HG LYS 66 21.932 -7.873 4.407 527 HG3 LYS 66 1HG LYS 66 23.390 -8.271 3.537 528 HD2 LYS 66 2HD LYS 66 22.491 -10.104 2.499 529 HD3 LYS 66 1HD LYS 66 21.182 -10.338 3.641 530 HE2 LYS 66 2HE LYS 66 20.204 -8.139 2.853 531 HE3 LYS 66 1HE LYS 66 21.455 -8.090 1.613 532 HZ1 LYS 66 3HZ LYS 66 20.633 -10.332 0.904 533 HZ2 LYS 66 1HZ LYS 66 19.584 -9.041 0.636 534 HZ3 LYS 66 2HZ LYS 66 19.274 -10.076 1.933 535 H GLU 67 H GLU 67 20.443 -7.606 5.999 536 HA GLU 67 HA GLU 67 21.890 -5.247 6.358 537 HB2 GLU 67 2HB GLU 67 18.922 -5.774 6.500 538 HB3 GLU 67 1HB GLU 67 19.608 -4.166 6.533 539 HG2 GLU 67 2HG GLU 67 20.715 -4.677 4.290 540 HG3 GLU 67 1HG GLU 67 19.871 -6.210 4.307 541 H GLY 68 H GLY 68 19.968 -7.234 8.523 542 HA2 GLY 68 2HA GLY 68 19.944 -7.246 10.863 543 HA3 GLY 68 1HA GLY 68 20.935 -5.782 10.878 544 H ARG 69 H ARG 69 18.736 -5.330 8.553 545 HA ARG 69 HA ARG 69 16.965 -3.708 10.237 546 HB2 ARG 69 2HB ARG 69 17.189 -3.883 7.224 547 HB3 ARG 69 1HB ARG 69 16.311 -2.671 8.160 548 HG2 ARG 69 2HG ARG 69 19.317 -3.072 8.374 549 HG3 ARG 69 1HG ARG 69 18.574 -1.932 7.257 550 HD2 ARG 69 2HD ARG 69 17.441 -0.864 9.220 551 HD3 ARG 69 1HD ARG 69 18.356 -1.940 10.276 552 HE ARG 69 HE ARG 69 19.862 -0.287 8.370 553 HH11 ARG 69 1HH2 ARG 69 18.828 -0.815 11.698 554 HH12 ARG 69 2HH2 ARG 69 20.074 0.194 12.315 555 HH21 ARG 69 1HH1 ARG 69 21.483 1.028 9.290 556 HH22 ARG 69 2HH1 ARG 69 21.559 1.202 10.997 557 H THR 70 H THR 70 14.899 -4.498 10.534 558 HA THR 70 HA THR 70 14.156 -6.987 9.208 559 HB THR 70 HB THR 70 12.564 -5.471 11.298 560 HG1 THR 70 1HG THR 70 13.867 -7.539 12.322 561 HG21 THR 70 3HG2 THR 70 11.475 -7.317 9.920 562 HG22 THR 70 1HG2 THR 70 11.470 -7.562 11.658 563 HG23 THR 70 2HG2 THR 70 12.619 -8.437 10.646 564 H HIS 71 H HIS 71 12.866 -7.174 7.549 565 HA HIS 71 HA HIS 71 11.906 -4.802 6.207 566 HB2 HIS 71 2HB HIS 71 13.021 -6.999 5.278 567 HB3 HIS 71 1HB HIS 71 11.368 -7.579 5.267 568 HD1 HIS 71 1HD HIS 71 13.700 -6.075 3.091 569 HD2 HIS 71 2HD HIS 71 9.602 -5.366 3.718 570 HE1 HIS 71 1HE HIS 71 12.789 -4.970 0.999 571 HE2 HIS 71 2HE HIS 71 10.322 -4.570 1.355 572 H HIS 72 H HIS 72 9.895 -4.070 6.202 573 HA HIS 72 HA HIS 72 7.660 -5.683 7.261 574 HB2 HIS 72 2HB HIS 72 8.035 -2.731 6.721 575 HB3 HIS 72 1HB HIS 72 6.465 -3.408 6.996 576 HD1 HIS 72 1HD HIS 72 5.748 -3.696 9.396 577 HD2 HIS 72 2HD HIS 72 9.850 -2.965 9.027 578 HE1 HIS 72 1HE HIS 72 6.615 -3.157 11.723 579 HE2 HIS 72 2HE HIS 72 9.095 -2.699 11.526 580 H TYR 73 H TYR 73 6.663 -6.765 5.563 581 HA TYR 73 HA TYR 73 6.454 -5.358 2.972 582 HB2 TYR 73 2HB TYR 73 5.961 -8.272 3.655 583 HB3 TYR 73 1HB TYR 73 5.707 -7.536 2.087 584 HD1 TYR 73 1HD TYR 73 8.335 -8.538 4.558 585 HD2 TYR 73 2HD TYR 73 7.550 -6.899 0.638 586 HE1 TYR 73 1HE TYR 73 10.672 -8.856 3.945 587 HE2 TYR 73 2HE TYR 73 9.920 -7.223 0.041 588 HH TYR 73 HH TYR 73 12.313 -7.671 2.164 589 H MET 74 H MET 74 4.565 -4.331 2.672 590 HA MET 74 HA MET 74 2.166 -5.347 4.052 591 HB2 MET 74 2HB MET 74 2.880 -3.507 5.341 592 HB3 MET 74 1HB MET 74 3.307 -2.558 3.915 593 HG2 MET 74 2HG MET 74 0.867 -2.507 3.306 594 HG3 MET 74 1HG MET 74 0.509 -3.337 4.826 595 HE1 MET 74 3HE MET 74 -0.492 -1.847 6.614 596 HE2 MET 74 1HE MET 74 0.718 -0.885 7.481 597 HE3 MET 74 2HE MET 74 1.065 -2.560 7.065 598 H ARG 75 H ARG 75 0.440 -5.579 2.730 599 HA ARG 75 HA ARG 75 0.171 -3.779 0.498 600 HB2 ARG 75 2HB ARG 75 -0.236 -5.451 -1.174 601 HB3 ARG 75 1HB ARG 75 1.345 -5.724 -0.453 602 HG2 ARG 75 2HG ARG 75 0.607 -7.888 -0.290 603 HG3 ARG 75 1HG ARG 75 -0.116 -7.290 1.193 604 HD2 ARG 75 2HD ARG 75 -2.212 -7.590 0.413 605 HD3 ARG 75 1HD ARG 75 -1.906 -6.730 -1.069 606 HE ARG 75 HE ARG 75 -2.067 -9.523 -0.731 607 HH11 ARG 75 1HH2 ARG 75 -0.147 -7.092 -2.348 608 HH12 ARG 75 2HH2 ARG 75 0.185 -8.049 -3.728 609 HH21 ARG 75 1HH1 ARG 75 -1.618 -10.830 -2.603 610 HH22 ARG 75 2HH1 ARG 75 -0.658 -10.194 -3.872 611 H PHE 76 H PHE 76 -1.889 -3.230 0.099 612 HA PHE 76 HA PHE 76 -4.040 -4.895 1.017 613 HB2 PHE 76 2HB PHE 76 -5.096 -3.031 2.380 614 HB3 PHE 76 1HB PHE 76 -3.699 -3.856 3.087 615 HD1 PHE 76 1HD PHE 76 -4.856 -0.701 1.437 616 HD2 PHE 76 2HD PHE 76 -1.623 -2.718 3.435 617 HE1 PHE 76 1HE PHE 76 -3.650 1.448 1.693 618 HE2 PHE 76 2HE PHE 76 -0.442 -0.557 3.687 619 HZ PHE 76 HZ PHE 76 -1.431 1.504 2.835 620 H HIS 77 H HIS 77 -6.187 -4.056 0.520 621 HA HIS 77 HA HIS 77 -6.079 -2.663 -2.067 622 HB2 HIS 77 2HB HIS 77 -7.767 -4.856 -1.004 623 HB3 HIS 77 1HB HIS 77 -8.586 -3.660 -1.993 624 HD1 HIS 77 1HD HIS 77 -5.388 -5.801 -2.226 625 HD2 HIS 77 2HD HIS 77 -8.310 -4.097 -4.684 626 HE1 HIS 77 1HE HIS 77 -4.908 -6.587 -4.564 627 HE2 HIS 77 2HE HIS 77 -6.655 -5.546 -6.084 628 H VAL 78 H VAL 78 -7.557 -1.036 -2.556 629 HA VAL 78 HA VAL 78 -9.138 -0.044 -0.307 630 HB VAL 78 HB VAL 78 -8.456 2.164 -0.522 631 HG11 VAL 78 1HG1 VAL 78 -6.635 0.485 0.289 632 HG12 VAL 78 2HG1 VAL 78 -6.149 2.146 -0.070 633 HG13 VAL 78 3HG1 VAL 78 -5.840 0.870 -1.239 634 HG21 VAL 78 3HG2 VAL 78 -7.477 1.345 -3.260 635 HG22 VAL 78 1HG2 VAL 78 -6.855 2.819 -2.507 636 HG23 VAL 78 2HG2 VAL 78 -8.575 2.658 -2.819 637 H GLU 79 H GLU 79 -10.942 1.233 -0.944 638 HA GLU 79 HA GLU 79 -11.830 0.658 -3.702 639 HB2 GLU 79 2HB GLU 79 -13.400 0.853 -1.146 640 HB3 GLU 79 1HB GLU 79 -14.184 0.993 -2.734 641 HG2 GLU 79 2HG GLU 79 -13.332 -1.118 -3.411 642 HG3 GLU 79 1HG GLU 79 -12.363 -1.277 -1.961 643 H SER 80 H SER 80 -11.950 2.207 -5.025 644 HA SER 80 HA SER 80 -11.819 4.981 -4.117 645 HB2 SER 80 2HB SER 80 -11.874 4.453 -7.018 646 HB3 SER 80 1HB SER 80 -10.773 5.366 -6.010 647 HG SER 80 HG SER 80 -10.863 2.544 -6.258 648 H LYS 81 H LYS 81 -13.096 6.418 -5.913 649 HA LYS 81 HA LYS 81 -15.818 6.022 -5.240 650 HB2 LYS 81 2HB LYS 81 -14.701 7.803 -7.424 651 HB3 LYS 81 1HB LYS 81 -16.286 7.895 -6.685 652 HG2 LYS 81 2HG LYS 81 -13.623 8.447 -5.337 653 HG3 LYS 81 1HG LYS 81 -14.906 9.595 -5.706 654 HD2 LYS 81 2HD LYS 81 -16.343 7.947 -4.251 655 HD3 LYS 81 1HD LYS 81 -14.795 7.509 -3.553 656 HE2 LYS 81 2HE LYS 81 -14.723 10.357 -3.631 657 HE3 LYS 81 1HE LYS 81 -16.353 9.920 -3.127 658 HZ1 LYS 81 3HZ LYS 81 -13.836 9.191 -1.752 659 HZ2 LYS 81 1HZ LYS 81 -15.389 8.595 -1.270 660 HZ3 LYS 81 2HZ LYS 81 -15.099 10.207 -1.343 661 H LYS 82 H LYS 82 -13.833 5.149 -7.970 662 HA LYS 82 HA LYS 82 -16.169 3.838 -9.260 663 HB2 LYS 82 2HB LYS 82 -13.935 5.277 -10.690 664 HB3 LYS 82 1HB LYS 82 -15.358 4.562 -11.415 665 HG2 LYS 82 2HG LYS 82 -15.455 6.847 -9.394 666 HG3 LYS 82 1HG LYS 82 -15.609 7.046 -11.127 667 HD2 LYS 82 2HD LYS 82 -17.656 5.994 -11.247 668 HD3 LYS 82 1HD LYS 82 -17.493 5.115 -9.740 669 HE2 LYS 82 2HE LYS 82 -17.334 7.991 -9.276 670 HE3 LYS 82 1HE LYS 82 -18.805 7.567 -10.154 671 HZ1 LYS 82 3HZ LYS 82 -18.802 7.399 -7.559 672 HZ2 LYS 82 1HZ LYS 82 -17.996 5.935 -7.840 673 HZ3 LYS 82 2HZ LYS 82 -19.520 6.192 -8.494 674 H LYS 83 H LYS 83 -13.134 3.307 -7.957 675 HA LYS 83 HA LYS 83 -12.957 0.730 -9.328 676 HB2 LYS 83 2HB LYS 83 -10.606 2.636 -9.120 677 HB3 LYS 83 1HB LYS 83 -10.549 0.949 -9.638 678 HG2 LYS 83 2HG LYS 83 -12.246 3.058 -11.021 679 HG3 LYS 83 1HG LYS 83 -10.639 2.601 -11.546 680 HD2 LYS 83 2HD LYS 83 -11.276 0.414 -12.092 681 HD3 LYS 83 1HD LYS 83 -12.793 0.478 -11.210 682 HE2 LYS 83 2HE LYS 83 -12.438 2.556 -13.302 683 HE3 LYS 83 1HE LYS 83 -12.566 0.906 -13.898 684 HZ1 LYS 83 3HZ LYS 83 -14.640 2.437 -13.320 685 HZ2 LYS 83 1HZ LYS 83 -14.474 1.679 -11.824 686 HZ3 LYS 83 2HZ LYS 83 -14.717 0.759 -13.247 687 H ILE 84 H ILE 84 -11.486 -0.743 -8.338 688 HA ILE 84 HA ILE 84 -11.145 -0.348 -5.419 689 HB ILE 84 HB ILE 84 -11.203 -2.901 -7.055 690 HG12 ILE 84 2HG1 ILE 84 -13.343 -1.966 -5.138 691 HG13 ILE 84 1HG1 ILE 84 -13.446 -1.556 -6.843 692 HG21 ILE 84 1HG2 ILE 84 -10.358 -3.839 -5.212 693 HG22 ILE 84 2HG2 ILE 84 -11.810 -3.375 -4.341 694 HG23 ILE 84 3HG2 ILE 84 -10.410 -2.317 -4.324 695 HD11 ILE 84 3HD1 ILE 84 -13.470 -3.844 -7.468 696 HD12 ILE 84 1HD1 ILE 84 -14.668 -3.648 -6.191 697 HD13 ILE 84 2HD1 ILE 84 -13.088 -4.378 -5.830 698 H ALA 85 H ALA 85 -8.995 -0.118 -4.828 699 HA ALA 85 HA ALA 85 -6.971 -0.850 -6.873 700 HB1 ALA 85 1HB ALA 85 -5.842 1.110 -6.625 701 HB2 ALA 85 2HB ALA 85 -6.420 1.408 -4.997 702 HB3 ALA 85 3HB ALA 85 -7.485 1.692 -6.383 703 H LEU 86 H LEU 86 -4.842 -1.248 -6.185 704 HA LEU 86 HA LEU 86 -4.709 -2.585 -3.566 705 HB2 LEU 86 2HB LEU 86 -4.492 -4.215 -5.259 706 HB3 LEU 86 1HB LEU 86 -3.468 -3.180 -6.230 707 HG LEU 86 HG LEU 86 -1.671 -3.336 -4.495 708 HD11 LEU 86 1HD1 LEU 86 -3.781 -4.333 -2.888 709 HD12 LEU 86 2HD1 LEU 86 -2.086 -4.100 -2.466 710 HD13 LEU 86 3HD1 LEU 86 -2.621 -5.651 -3.107 711 HD21 LEU 86 3HD2 LEU 86 -2.708 -6.009 -5.494 712 HD22 LEU 86 1HD2 LEU 86 -1.070 -5.698 -4.924 713 HD23 LEU 86 2HD2 LEU 86 -1.654 -4.906 -6.381 714 H VAL 87 H VAL 87 -3.146 -1.995 -2.160 715 HA VAL 87 HA VAL 87 -1.121 -0.031 -3.066 716 HB VAL 87 HB VAL 87 -2.541 -0.320 -0.407 717 HG11 VAL 87 1HG1 VAL 87 -0.295 0.198 0.154 718 HG12 VAL 87 2HG1 VAL 87 -1.171 1.726 0.215 719 HG13 VAL 87 3HG1 VAL 87 -0.144 1.357 -1.168 720 HG21 VAL 87 3HG2 VAL 87 -2.378 2.257 -1.915 721 HG22 VAL 87 1HG2 VAL 87 -3.692 1.617 -0.946 722 HG23 VAL 87 2HG2 VAL 87 -3.449 1.019 -2.578 723 H HIS 88 H HIS 88 0.942 -0.582 -2.807 724 HA HIS 88 HA HIS 88 1.655 -2.963 -1.178 725 HB2 HIS 88 2HB HIS 88 1.976 -3.175 -3.681 726 HB3 HIS 88 1HB HIS 88 3.069 -1.810 -3.590 727 HD1 HIS 88 1HD HIS 88 3.803 -4.899 -4.385 728 HD2 HIS 88 2HD HIS 88 4.766 -2.940 -0.804 729 HE1 HIS 88 1HE HIS 88 5.740 -6.136 -3.364 730 HE2 HIS 88 2HE HIS 88 6.385 -4.945 -1.238 731 H LEU 89 H LEU 89 2.805 -2.385 0.632 732 HA LEU 89 HA LEU 89 4.622 -0.055 0.458 733 HB2 LEU 89 2HB LEU 89 2.672 0.566 1.813 734 HB3 LEU 89 1HB LEU 89 2.900 -0.869 2.817 735 HG LEU 89 HG LEU 89 5.287 0.035 3.282 736 HD11 LEU 89 1HD1 LEU 89 4.194 2.245 1.702 737 HD12 LEU 89 2HD1 LEU 89 5.859 1.641 1.858 738 HD13 LEU 89 3HD1 LEU 89 5.154 2.656 3.112 739 HD21 LEU 89 3HD2 LEU 89 4.343 0.556 5.221 740 HD22 LEU 89 1HD2 LEU 89 2.754 0.744 4.485 741 HD23 LEU 89 2HD2 LEU 89 3.872 2.113 4.567 742 H GLU 90 H GLU 90 6.657 -0.433 1.047 743 HA GLU 90 HA GLU 90 7.134 -2.692 2.826 744 HB2 GLU 90 2HB GLU 90 8.712 -2.026 0.364 745 HB3 GLU 90 1HB GLU 90 9.402 -2.971 1.687 746 HG2 GLU 90 2HG GLU 90 7.662 -4.591 1.519 747 HG3 GLU 90 1HG GLU 90 6.788 -3.706 0.297 748 H ALA 91 H ALA 91 8.339 -2.312 4.495 749 HA ALA 91 HA ALA 91 9.976 0.099 4.565 750 HB1 ALA 91 1HB ALA 91 8.325 -0.545 6.985 751 HB2 ALA 91 2HB ALA 91 7.613 0.411 5.685 752 HB3 ALA 91 3HB ALA 91 9.061 0.977 6.515 753 H LYS 92 H LYS 92 11.616 -0.021 6.320 754 HA LYS 92 HA LYS 92 11.758 -2.687 7.475 755 HB2 LYS 92 2HB LYS 92 14.056 -3.073 7.035 756 HB3 LYS 92 1HB LYS 92 13.254 -2.776 5.506 757 HG2 LYS 92 2HG LYS 92 14.076 -0.446 5.518 758 HG3 LYS 92 1HG LYS 92 14.880 -0.721 7.069 759 HD2 LYS 92 2HD LYS 92 16.163 -2.602 5.979 760 HD3 LYS 92 1HD LYS 92 15.473 -2.118 4.441 761 HE2 LYS 92 2HE LYS 92 16.495 0.088 4.613 762 HE3 LYS 92 1HE LYS 92 17.101 -0.297 6.218 763 HZ1 LYS 92 3HZ LYS 92 18.146 -1.143 3.640 764 HZ2 LYS 92 1HZ LYS 92 18.020 -2.388 4.762 765 HZ3 LYS 92 2HZ LYS 92 18.924 -0.988 5.105 766 H GLU 93 H GLU 93 12.642 -2.929 9.391 767 HA GLU 93 HA GLU 93 12.574 -0.676 11.136 768 HB2 GLU 93 2HB GLU 93 13.570 -3.503 11.542 769 HB3 GLU 93 1HB GLU 93 13.432 -2.304 12.815 770 HG2 GLU 93 2HG GLU 93 11.097 -3.126 11.063 771 HG3 GLU 93 1HG GLU 93 11.408 -3.863 12.622 772 H SER 94 H SER 94 14.127 0.722 11.576 773 HA SER 94 HA SER 94 16.795 0.411 10.529 774 HB2 SER 94 2HB SER 94 15.606 2.485 12.409 775 HB3 SER 94 1HB SER 94 17.245 2.502 11.803 776 HG SER 94 HG SER 94 14.799 2.776 10.420 777 H LYS 95 H LYS 95 15.844 1.142 13.858 778 HA LYS 95 HA LYS 95 17.120 -1.270 14.797 779 HB2 LYS 95 2HB LYS 95 18.682 1.029 14.786 780 HB3 LYS 95 1HB LYS 95 18.026 1.027 16.411 781 HG2 LYS 95 2HG LYS 95 19.967 -0.257 16.600 782 HG3 LYS 95 1HG LYS 95 18.689 -1.473 16.505 783 HD2 LYS 95 2HD LYS 95 19.477 -0.817 13.823 784 HD3 LYS 95 1HD LYS 95 20.941 -1.100 14.742 785 HE2 LYS 95 2HE LYS 95 18.563 -2.952 14.736 786 HE3 LYS 95 1HE LYS 95 19.949 -3.186 13.689 787 HZ1 LYS 95 3HZ LYS 95 21.175 -3.959 15.396 788 HZ2 LYS 95 1HZ LYS 95 19.683 -4.184 16.145 789 HZ3 LYS 95 2HZ LYS 95 20.604 -2.794 16.502 790 H GLN 96 H GLN 96 16.281 1.753 16.388 791 HA GLN 96 HA GLN 96 14.101 0.355 17.834 792 HB2 GLN 96 2HB GLN 96 15.723 2.706 18.834 793 HB3 GLN 96 1HB GLN 96 14.541 1.772 19.730 794 HG2 GLN 96 2HG GLN 96 16.178 0.387 20.385 795 HG3 GLN 96 1HG GLN 96 16.407 -0.141 18.721 796 HE21 GLN 96 1HE2 GLN 96 18.616 -0.049 18.349 797 HE22 GLN 96 2HE2 GLN 96 19.607 1.272 18.735 798 H ASN 97 H ASN 97 14.577 2.341 15.374 799 HA ASN 97 HA ASN 97 13.054 4.636 15.957 800 HB2 ASN 97 2HB ASN 97 14.440 4.300 13.831 801 HB3 ASN 97 1HB ASN 97 13.088 3.311 13.256 802 HD21 ASN 97 1HD2 ASN 97 13.320 5.304 11.603 803 HD22 ASN 97 2HD2 ASN 97 12.273 6.591 11.927 804 H TYR 98 H TYR 98 10.936 5.074 15.866 805 HA TYR 98 HA TYR 98 9.148 3.030 16.592 806 HB2 TYR 98 2HB TYR 98 8.535 5.814 15.592 807 HB3 TYR 98 1HB TYR 98 7.410 4.753 16.423 808 HD1 TYR 98 1HD TYR 98 10.578 6.653 16.789 809 HD2 TYR 98 2HD TYR 98 7.559 4.359 18.818 810 HE1 TYR 98 1HE TYR 98 11.490 7.358 18.965 811 HE2 TYR 98 2HE TYR 98 8.490 5.084 20.988 812 HH TYR 98 HH TYR 98 9.903 7.247 21.732 813 H GLN 99 H GLN 99 9.564 4.765 13.540 814 HA GLN 99 HA GLN 99 7.843 2.734 12.291 815 HB2 GLN 99 2HB GLN 99 8.285 5.574 11.350 816 HB3 GLN 99 1HB GLN 99 7.241 4.367 10.606 817 HG2 GLN 99 2HG GLN 99 6.897 5.240 13.487 818 HG3 GLN 99 1HG GLN 99 6.093 6.026 12.140 819 HE21 GLN 99 1HE2 GLN 99 6.508 2.691 13.535 820 HE22 GLN 99 2HE2 GLN 99 4.973 2.180 13.057 821 HA PRO 100 HA PRO 100 11.545 1.373 10.236 822 HB2 PRO 100 2HB PRO 100 10.310 -0.178 8.396 823 HB3 PRO 100 1HB PRO 100 10.489 -0.672 10.101 824 HG2 PRO 100 2HG PRO 100 8.133 0.626 8.775 825 HG3 PRO 100 1HG PRO 100 8.142 -0.806 9.833 826 HD2 PRO 100 2HD PRO 100 7.454 1.528 10.786 827 HD3 PRO 100 1HD PRO 100 8.524 0.473 11.745 828 H ASP 101 H ASP 101 12.586 1.995 8.323 829 HA ASP 101 HA ASP 101 11.580 4.240 6.880 830 HB2 ASP 101 2HB ASP 101 13.914 2.379 6.470 831 HB3 ASP 101 1HB ASP 101 13.476 3.573 5.247 832 H PHE 102 H PHE 102 10.441 4.328 5.005 833 HA PHE 102 HA PHE 102 9.229 1.910 4.016 834 HB2 PHE 102 2HB PHE 102 9.103 4.728 2.890 835 HB3 PHE 102 1HB PHE 102 8.124 3.364 2.389 836 HD1 PHE 102 1HD PHE 102 6.921 2.063 4.404 837 HD2 PHE 102 2HD PHE 102 8.188 6.167 4.504 838 HE1 PHE 102 1HE PHE 102 5.292 2.517 6.200 839 HE2 PHE 102 2HE PHE 102 6.556 6.631 6.315 840 HZ PHE 102 HZ PHE 102 5.105 4.819 7.165 841 H ILE 103 H ILE 103 10.586 0.581 2.919 842 HA ILE 103 HA ILE 103 12.817 1.429 1.390 843 HB ILE 103 HB ILE 103 11.302 -1.202 1.395 844 HG12 ILE 103 2HG1 ILE 103 13.988 -0.504 2.617 845 HG13 ILE 103 1HG1 ILE 103 12.489 -0.444 3.547 846 HG21 ILE 103 1HG2 ILE 103 14.064 -0.556 0.289 847 HG22 ILE 103 2HG2 ILE 103 12.644 -0.814 -0.720 848 HG23 ILE 103 3HG2 ILE 103 13.276 -2.122 0.250 849 HD11 ILE 103 3HD1 ILE 103 12.222 -2.740 3.524 850 HD12 ILE 103 1HD1 ILE 103 13.980 -2.683 3.418 851 HD13 ILE 103 2HD1 ILE 103 13.034 -2.911 1.973 852 H ASN 104 H ASN 104 9.531 0.402 0.587 853 HA ASN 104 HA ASN 104 9.576 1.890 -1.904 854 HB2 ASN 104 2HB ASN 104 10.623 -0.378 -2.412 855 HB3 ASN 104 1HB ASN 104 9.059 -1.079 -2.027 856 HD21 ASN 104 1HD2 ASN 104 10.183 -1.231 -4.665 857 HD22 ASN 104 2HD2 ASN 104 9.215 -0.339 -5.723 858 H MET 105 H MET 105 7.423 1.913 -2.863 859 HA MET 105 HA MET 105 5.340 0.529 -1.769 860 HB2 MET 105 2HB MET 105 4.368 1.721 -0.167 861 HB3 MET 105 1HB MET 105 5.946 2.518 0.010 862 HG2 MET 105 2HG MET 105 4.427 4.235 -0.074 863 HG3 MET 105 1HG MET 105 5.010 4.185 -1.733 864 HE1 MET 105 3HE MET 105 2.051 1.889 0.220 865 HE2 MET 105 1HE MET 105 1.008 3.312 0.129 866 HE3 MET 105 2HE MET 105 2.582 3.440 0.875 867 H TYR 106 H TYR 106 3.662 0.459 -3.123 868 HA TYR 106 HA TYR 106 3.216 2.666 -4.957 869 HB2 TYR 106 2HB TYR 106 3.315 1.285 -6.976 870 HB3 TYR 106 1HB TYR 106 4.855 1.342 -6.140 871 HD1 TYR 106 1HD TYR 106 1.940 -0.778 -6.962 872 HD2 TYR 106 2HD TYR 106 5.799 -0.648 -5.055 873 HE1 TYR 106 1HE TYR 106 1.986 -3.236 -6.891 874 HE2 TYR 106 2HE TYR 106 5.839 -3.111 -4.986 875 HH TYR 106 HH TYR 106 4.405 -4.998 -6.686 876 H VAL 107 H VAL 107 1.320 2.448 -6.250 877 HA VAL 107 HA VAL 107 -0.738 0.810 -4.905 878 HB VAL 107 HB VAL 107 -0.889 3.584 -6.109 879 HG11 VAL 107 1HG1 VAL 107 -2.916 2.517 -6.763 880 HG12 VAL 107 2HG1 VAL 107 -3.278 3.497 -5.358 881 HG13 VAL 107 3HG1 VAL 107 -3.105 1.745 -5.185 882 HG21 VAL 107 3HG2 VAL 107 -1.900 3.861 -3.677 883 HG22 VAL 107 1HG2 VAL 107 -0.155 3.885 -3.927 884 HG23 VAL 107 2HG2 VAL 107 -0.933 2.419 -3.352 885 H ASP 108 H ASP 108 -1.791 -0.554 -6.179 886 HA ASP 108 HA ASP 108 -1.364 -0.390 -9.104 887 HB2 ASP 108 2HB ASP 108 -0.806 -2.609 -7.660 888 HB3 ASP 108 1HB ASP 108 -2.508 -2.765 -7.749 889 H VAL 109 H VAL 109 -2.955 0.636 -10.044 890 HA VAL 109 HA VAL 109 -5.692 0.220 -9.077 891 HB VAL 109 HB VAL 109 -4.770 2.300 -11.068 892 HG11 VAL 109 1HG1 VAL 109 -7.219 2.035 -9.293 893 HG12 VAL 109 2HG1 VAL 109 -7.181 1.897 -11.050 894 HG13 VAL 109 3HG1 VAL 109 -6.856 3.446 -10.283 895 HG21 VAL 109 3HG2 VAL 109 -3.555 3.036 -9.249 896 HG22 VAL 109 1HG2 VAL 109 -4.613 2.252 -8.074 897 HG23 VAL 109 2HG2 VAL 109 -5.106 3.759 -8.841 898 HA PRO 110 HA PRO 110 -5.976 -2.674 -12.451 899 HB2 PRO 110 2HB PRO 110 -8.639 -3.009 -12.540 900 HB3 PRO 110 1HB PRO 110 -7.656 -3.668 -11.208 901 HG2 PRO 110 2HG PRO 110 -9.296 -1.176 -11.283 902 HG3 PRO 110 1HG PRO 110 -9.186 -2.399 -10.001 903 HD2 PRO 110 2HD PRO 110 -7.828 -0.067 -9.848 904 HD3 PRO 110 1HD PRO 110 -7.178 -1.583 -9.186 905 H GLY 111 H GLY 111 -6.195 -2.439 -14.640 906 HA2 GLY 111 2HA GLY 111 -6.733 -1.538 -16.694 907 HA3 GLY 111 1HA GLY 111 -8.041 -0.663 -15.902 908 H GLU 112 H GLU 112 -5.506 0.089 -14.036 909 HA GLU 112 HA GLU 112 -4.764 2.395 -15.670 910 HB2 GLU 112 2HB GLU 112 -5.514 2.270 -12.781 911 HB3 GLU 112 1HB GLU 112 -4.648 3.668 -13.448 912 HG2 GLU 112 2HG GLU 112 -7.323 2.568 -14.366 913 HG3 GLU 112 1HG GLU 112 -7.067 4.043 -13.432 914 H LYS 113 H LYS 113 -2.854 3.576 -14.641 915 HA LYS 113 HA LYS 113 -0.635 1.798 -14.887 916 HB2 LYS 113 2HB LYS 113 -0.706 4.743 -14.170 917 HB3 LYS 113 1HB LYS 113 0.715 3.826 -14.596 918 HG2 LYS 113 2HG LYS 113 0.292 4.529 -16.702 919 HG3 LYS 113 1HG LYS 113 -0.835 3.185 -16.731 920 HD2 LYS 113 2HD LYS 113 -2.053 5.561 -15.507 921 HD3 LYS 113 1HD LYS 113 -1.444 5.892 -17.119 922 HE2 LYS 113 2HE LYS 113 -2.618 3.919 -17.992 923 HE3 LYS 113 1HE LYS 113 -3.262 3.559 -16.438 924 HZ1 LYS 113 3HZ LYS 113 -4.664 5.018 -18.065 925 HZ2 LYS 113 1HZ LYS 113 -3.747 6.280 -17.452 926 HZ3 LYS 113 2HZ LYS 113 -4.713 5.330 -16.431 927 H ARG 114 H ARG 114 0.743 1.181 -13.409 928 HA ARG 114 HA ARG 114 -0.019 1.085 -10.628 929 HB2 ARG 114 2HB ARG 114 2.342 0.252 -10.287 930 HB3 ARG 114 1HB ARG 114 1.345 -0.729 -11.347 931 HG2 ARG 114 2HG ARG 114 2.835 1.442 -12.740 932 HG3 ARG 114 1HG ARG 114 3.853 0.224 -12.018 933 HD2 ARG 114 2HD ARG 114 3.291 -1.337 -13.511 934 HD3 ARG 114 1HD ARG 114 1.572 -0.988 -13.400 935 HE ARG 114 HE ARG 114 2.766 1.123 -14.808 936 HH11 ARG 114 1HH2 ARG 114 2.295 -2.321 -15.143 937 HH12 ARG 114 2HH2 ARG 114 2.266 -2.264 -16.858 938 HH21 ARG 114 1HH1 ARG 114 2.684 1.181 -17.100 939 HH22 ARG 114 2HH1 ARG 114 2.499 -0.294 -17.952 940 H TYR 115 H TYR 115 0.441 2.509 -9.060 941 HA TYR 115 HA TYR 115 2.111 4.806 -9.845 942 HB2 TYR 115 2HB TYR 115 -0.251 5.292 -9.277 943 HB3 TYR 115 1HB TYR 115 0.030 4.648 -7.658 944 HD1 TYR 115 1HD TYR 115 0.908 7.344 -10.031 945 HD2 TYR 115 2HD TYR 115 1.298 5.876 -6.008 946 HE1 TYR 115 1HE TYR 115 1.802 9.520 -9.334 947 HE2 TYR 115 2HE TYR 115 2.206 8.071 -5.302 948 HH TYR 115 HH TYR 115 3.531 10.076 -6.969 949 H TYR 116 H TYR 116 4.074 4.920 -8.933 950 HA TYR 116 HA TYR 116 4.528 3.436 -6.438 951 HB2 TYR 116 2HB TYR 116 6.404 4.400 -8.587 952 HB3 TYR 116 1HB TYR 116 6.984 4.033 -6.965 953 HD1 TYR 116 1HD TYR 116 4.821 2.529 -9.656 954 HD2 TYR 116 2HD TYR 116 7.567 1.824 -6.411 955 HE1 TYR 116 1HE TYR 116 4.782 0.108 -10.131 956 HE2 TYR 116 2HE TYR 116 7.520 -0.585 -6.899 957 HH TYR 116 HH TYR 116 6.353 -2.203 -7.989 958 H LEU 117 H LEU 117 3.874 4.616 -4.880 959 HA LEU 117 HA LEU 117 4.094 7.434 -4.658 960 HB2 LEU 117 2HB LEU 117 2.411 6.168 -3.430 961 HB3 LEU 117 1HB LEU 117 3.657 5.302 -2.564 962 HG LEU 117 HG LEU 117 4.437 7.429 -1.546 963 HD11 LEU 117 1HD1 LEU 117 2.825 9.395 -1.812 964 HD12 LEU 117 2HD1 LEU 117 2.211 8.584 -3.244 965 HD13 LEU 117 3HD1 LEU 117 3.913 9.081 -3.160 966 HD21 LEU 117 3HD2 LEU 117 2.916 7.266 0.078 967 HD22 LEU 117 1HD2 LEU 117 2.219 5.956 -0.864 968 HD23 LEU 117 2HD2 LEU 117 1.529 7.562 -0.997 969 H ILE 118 H ILE 118 6.051 4.728 -3.507 970 HA ILE 118 HA ILE 118 8.158 6.657 -2.719 971 HB ILE 118 HB ILE 118 7.448 3.996 -1.465 972 HG12 ILE 118 2HG1 ILE 118 7.378 6.801 -0.291 973 HG13 ILE 118 1HG1 ILE 118 5.949 5.966 -0.887 974 HG21 ILE 118 1HG2 ILE 118 9.234 4.392 0.103 975 HG22 ILE 118 2HG2 ILE 118 9.575 5.954 -0.609 976 HG23 ILE 118 3HG2 ILE 118 9.934 4.483 -1.510 977 HD11 ILE 118 3HD1 ILE 118 7.118 4.092 0.788 978 HD12 ILE 118 1HD1 ILE 118 5.773 5.155 1.222 979 HD13 ILE 118 2HD1 ILE 118 7.426 5.626 1.600 980 H LYS 119 H LYS 119 10.063 6.439 -3.749 981 HA LYS 119 HA LYS 119 10.412 4.122 -5.521 982 HB2 LYS 119 2HB LYS 119 12.203 6.565 -5.407 983 HB3 LYS 119 1HB LYS 119 12.043 5.406 -6.712 984 HG2 LYS 119 2HG LYS 119 10.027 7.491 -5.827 985 HG3 LYS 119 1HG LYS 119 10.856 7.384 -7.370 986 HD2 LYS 119 2HD LYS 119 9.666 5.289 -7.907 987 HD3 LYS 119 1HD LYS 119 8.876 5.311 -6.343 988 HE2 LYS 119 2HE LYS 119 7.373 6.205 -8.101 989 HE3 LYS 119 1HE LYS 119 7.741 7.416 -6.872 990 HZ1 LYS 119 3HZ LYS 119 9.194 8.520 -8.348 991 HZ2 LYS 119 1HZ LYS 119 7.871 8.110 -9.280 992 HZ3 LYS 119 2HZ LYS 119 9.286 7.214 -9.406 993 HA PRO 120 HA PRO 120 13.069 2.437 -2.441 994 HB2 PRO 120 2HB PRO 120 13.952 0.297 -3.730 995 HB3 PRO 120 1HB PRO 120 12.329 0.401 -3.036 996 HG2 PRO 120 2HG PRO 120 13.134 0.773 -5.888 997 HG3 PRO 120 1HG PRO 120 11.704 -0.042 -5.246 998 HD2 PRO 120 2HD PRO 120 11.598 2.444 -6.252 999 HD3 PRO 120 1HD PRO 120 10.538 1.948 -4.919 1000 H LYS 121 H LYS 121 15.224 1.590 -2.199 1001 HA LYS 121 HA LYS 121 17.147 3.525 -2.662 1002 HB2 LYS 121 2HB LYS 121 17.441 0.581 -2.058 1003 HB3 LYS 121 1HB LYS 121 18.698 1.785 -1.870 1004 HG2 LYS 121 2HG LYS 121 17.394 3.031 -0.388 1005 HG3 LYS 121 1HG LYS 121 16.010 1.967 -0.493 1006 HD2 LYS 121 2HD LYS 121 17.362 0.063 0.339 1007 HD3 LYS 121 1HD LYS 121 18.752 1.097 0.566 1008 HE2 LYS 121 2HE LYS 121 16.107 1.703 1.899 1009 HE3 LYS 121 1HE LYS 121 17.259 0.603 2.634 1010 HZ1 LYS 121 3HZ LYS 121 18.209 3.261 1.751 1011 HZ2 LYS 121 1HZ LYS 121 18.778 2.288 2.998 1012 HZ3 LYS 121 2HZ LYS 121 17.352 3.123 3.207 1013 H LEU 122 H LEU 122 16.649 0.385 -4.161 1014 HA LEU 122 HA LEU 122 17.838 -0.703 -5.664 1015 HB2 LEU 122 2HB LEU 122 16.916 1.645 -7.361 1016 HB3 LEU 122 1HB LEU 122 17.315 0.047 -7.970 1017 HG LEU 122 HG LEU 122 15.143 0.602 -5.939 1018 HD11 LEU 122 1HD1 LEU 122 13.749 -0.232 -8.026 1019 HD12 LEU 122 2HD1 LEU 122 15.148 0.354 -8.934 1020 HD13 LEU 122 3HD1 LEU 122 14.237 1.459 -7.915 1021 HD21 LEU 122 3HD2 LEU 122 14.532 -1.814 -6.879 1022 HD22 LEU 122 1HD2 LEU 122 15.700 -1.637 -5.578 1023 HD23 LEU 122 2HD2 LEU 122 16.251 -1.887 -7.233 1024 H HIS 123 H HIS 123 18.974 0.737 -8.146 1025 HA HIS 123 HA HIS 123 21.079 2.421 -7.477 1026 HB2 HIS 123 2HB HIS 123 22.998 0.918 -7.569 1027 HB3 HIS 123 1HB HIS 123 21.990 0.560 -6.166 1028 HD1 HIS 123 1HD HIS 123 20.665 -1.724 -6.217 1029 HD2 HIS 123 2HD HIS 123 23.030 -1.066 -9.599 1030 HE1 HIS 123 1HE HIS 123 20.779 -3.926 -7.476 1031 HE2 HIS 123 2HE HIS 123 22.218 -3.526 -9.538 1032 HA PRO 124 HA PRO 124 20.523 2.446 -11.961 1033 HB2 PRO 124 2HB PRO 124 23.043 4.039 -11.824 1034 HB3 PRO 124 1HB PRO 124 21.521 4.391 -12.660 1035 HG2 PRO 124 2HG PRO 124 22.096 5.675 -10.456 1036 HG3 PRO 124 1HG PRO 124 20.441 5.086 -10.736 1037 HD2 PRO 124 2HD PRO 124 22.543 3.931 -8.916 1038 HD3 PRO 124 1HD PRO 124 20.780 4.077 -8.683 1039 H VAL 125 H VAL 125 23.752 2.182 -10.516 1040 HA VAL 125 HA VAL 125 24.303 -0.324 -11.861 1041 HB VAL 125 HB VAL 125 26.411 1.823 -12.128 1042 HG11 VAL 125 1HG1 VAL 125 26.946 -0.603 -12.440 1043 HG12 VAL 125 2HG1 VAL 125 27.273 0.407 -13.840 1044 HG13 VAL 125 3HG1 VAL 125 25.839 -0.617 -13.817 1045 HG21 VAL 125 3HG2 VAL 125 25.605 2.058 -14.521 1046 HG22 VAL 125 1HG2 VAL 125 24.577 2.838 -13.328 1047 HG23 VAL 125 2HG2 VAL 125 24.110 1.284 -14.052 1048 H SER 126 H SER 126 26.181 2.239 -10.275 1049 HA SER 126 HA SER 126 27.556 0.492 -8.493 1050 HB2 SER 126 2HB SER 126 27.208 3.470 -8.194 1051 HB3 SER 126 1HB SER 126 28.535 2.466 -7.627 1052 HG SER 126 HG SER 126 28.710 3.773 -9.653 1053 H ASN 127 H ASN 127 27.226 0.233 -6.296 1054 HA ASN 127 HA ASN 127 25.054 1.590 -4.979 1055 HB2 ASN 127 2HB ASN 127 24.037 -0.591 -4.181 1056 HB3 ASN 127 1HB ASN 127 23.780 -0.193 -5.853 1057 HD21 ASN 127 1HD2 ASN 127 24.727 -1.514 -7.483 1058 HD22 ASN 127 2HD2 ASN 127 25.574 -2.946 -7.141
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