NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601153 | 2myx | 25461 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 41 H GLY 41 60.144 -12.308 2.132 2 HA2 GLY 41 1HA GLY 41 58.302 -13.817 1.520 3 HA3 GLY 41 2HA GLY 41 57.832 -12.756 2.876 4 H ALA 42 H ALA 42 55.572 -13.379 1.862 5 HA ALA 42 HA ALA 42 54.889 -12.072 -0.641 6 HB1 ALA 42 3HB ALA 42 53.766 -14.157 0.153 7 HB2 ALA 42 1HB ALA 42 53.148 -13.271 1.571 8 HB3 ALA 42 2HB ALA 42 52.611 -12.833 -0.062 9 H MET 43 H MET 43 52.802 -10.548 -0.474 10 HA MET 43 HA MET 43 52.703 -8.766 1.793 11 HB2 MET 43 1HB MET 43 53.240 -6.752 0.486 12 HB3 MET 43 2HB MET 43 54.637 -7.822 0.588 13 HG2 MET 43 1HG MET 43 54.207 -8.628 -1.714 14 HG3 MET 43 2HG MET 43 52.750 -7.643 -1.798 15 HE1 MET 43 3HE MET 43 57.089 -6.050 -1.988 16 HE2 MET 43 1HE MET 43 56.485 -6.827 -0.508 17 HE3 MET 43 2HE MET 43 56.620 -7.764 -2.019 18 H GLY 44 H GLY 44 50.884 -7.118 1.307 19 HA2 GLY 44 1HA GLY 44 49.169 -7.031 -0.826 20 HA3 GLY 44 2HA GLY 44 48.682 -8.504 0.017 21 HA PRO 45 HA PRO 45 47.971 -4.945 3.183 22 HB2 PRO 45 2HB PRO 45 47.824 -2.353 2.321 23 HB3 PRO 45 3HB PRO 45 49.359 -3.160 2.757 24 HG2 PRO 45 2HG PRO 45 48.157 -2.819 -0.010 25 HG3 PRO 45 3HG PRO 45 49.832 -2.451 0.521 26 HD2 PRO 45 2HD PRO 45 49.195 -4.798 -0.708 27 HD3 PRO 45 3HD PRO 45 50.408 -4.740 0.607 28 H GLN 46 H GLN 46 46.411 -5.383 0.222 29 HA GLN 46 HA GLN 46 44.343 -4.836 -0.658 30 HB2 GLN 46 1HB GLN 46 44.520 -7.121 0.393 31 HB3 GLN 46 2HB GLN 46 43.648 -6.490 1.795 32 HG2 GLN 46 1HG GLN 46 41.755 -5.855 0.195 33 HG3 GLN 46 2HG GLN 46 42.640 -6.680 -1.084 34 HE21 GLN 46 2HE2 GLN 46 43.439 -9.091 -0.141 35 HE22 GLN 46 1HE2 GLN 46 42.069 -9.954 0.542 36 H GLY 47 H GLY 47 44.353 -2.426 -0.181 37 HA2 GLY 47 1HA GLY 47 41.918 -1.758 1.339 38 HA3 GLY 47 2HA GLY 47 43.439 -0.972 1.795 39 H SER 48 H SER 48 40.761 -0.911 -0.347 40 HA SER 48 HA SER 48 42.108 0.796 -2.366 41 HB2 SER 48 1HB SER 48 39.322 -0.441 -2.258 42 HB3 SER 48 2HB SER 48 39.992 0.471 -3.618 43 HG SER 48 HG SER 48 40.108 -1.997 -3.515 44 H THR 49 H THR 49 40.645 2.765 -3.062 45 HA THR 49 HA THR 49 40.103 4.283 -0.631 46 HB THR 49 HB THR 49 39.454 6.075 -2.375 47 HG1 THR 49 1HG THR 49 41.136 4.674 -4.123 48 HG21 THR 49 3HG2 THR 49 41.825 6.649 -2.740 49 HG22 THR 49 1HG2 THR 49 42.321 5.019 -2.220 50 HG23 THR 49 2HG2 THR 49 41.533 6.128 -1.081 51 H GLN 50 H GLN 50 38.385 3.404 0.389 52 HA GLN 50 HA GLN 50 35.972 2.596 -0.895 53 HB2 GLN 50 1HB GLN 50 35.147 2.177 1.333 54 HB3 GLN 50 2HB GLN 50 36.761 1.532 1.112 55 HG2 GLN 50 1HG GLN 50 37.731 3.337 2.443 56 HG3 GLN 50 2HG GLN 50 36.163 4.168 2.538 57 HE21 GLN 50 2HE2 GLN 50 35.064 3.777 4.538 58 HE22 GLN 50 1HE2 GLN 50 35.327 2.296 5.440 59 H ASN 51 H ASN 51 36.588 5.277 -1.547 60 HA ASN 51 HA ASN 51 34.590 7.019 -0.225 61 HB2 ASN 51 1HB ASN 51 36.874 7.859 -0.752 62 HB3 ASN 51 2HB ASN 51 36.565 7.595 -2.471 63 HD21 ASN 51 2HD2 ASN 51 37.155 9.996 -2.345 64 HD22 ASN 51 1HD2 ASN 51 35.925 11.166 -1.862 65 H ALA 52 H ALA 52 32.738 5.749 -0.913 66 HA ALA 52 HA ALA 52 32.115 5.167 -3.646 67 HB1 ALA 52 3HB ALA 52 30.209 5.600 -1.310 68 HB2 ALA 52 1HB ALA 52 29.872 4.728 -2.806 69 HB3 ALA 52 2HB ALA 52 31.048 4.060 -1.668 70 H LEU 53 H LEU 53 29.804 6.105 -4.407 71 HA LEU 53 HA LEU 53 30.183 8.601 -5.519 72 HB2 LEU 53 1HB LEU 53 28.449 6.729 -5.959 73 HB3 LEU 53 2HB LEU 53 27.426 7.565 -4.794 74 HG LEU 53 HG LEU 53 28.614 9.130 -7.104 75 HD11 LEU 53 1HD1 LEU 53 27.745 7.083 -8.127 76 HD12 LEU 53 2HD1 LEU 53 26.732 8.467 -8.542 77 HD13 LEU 53 3HD1 LEU 53 26.190 7.304 -7.300 78 HD21 LEU 53 3HD2 LEU 53 26.370 10.263 -7.013 79 HD22 LEU 53 1HD2 LEU 53 27.279 10.433 -5.531 80 HD23 LEU 53 2HD2 LEU 53 25.955 9.256 -5.601 81 H ARG 54 H ARG 54 29.687 10.698 -5.018 82 HA ARG 54 HA ARG 54 29.872 11.722 -2.466 83 HB2 ARG 54 1HB ARG 54 28.614 12.696 -5.028 84 HB3 ARG 54 2HB ARG 54 28.565 13.737 -3.607 85 HG2 ARG 54 1HG ARG 54 31.203 12.597 -4.567 86 HG3 ARG 54 2HG ARG 54 30.512 14.034 -5.330 87 HD2 ARG 54 1HD ARG 54 30.636 15.337 -3.391 88 HD3 ARG 54 2HD ARG 54 30.747 13.933 -2.314 89 HE ARG 54 HE ARG 54 33.003 13.791 -3.938 90 HH11 ARG 54 1HH1 ARG 54 31.815 16.282 -1.661 91 HH12 ARG 54 2HH1 ARG 54 33.381 16.567 -1.006 92 HH21 ARG 54 1HH2 ARG 54 34.952 14.238 -3.190 93 HH22 ARG 54 2HH2 ARG 54 35.293 15.381 -1.925 94 H ARG 55 H ARG 55 28.574 12.087 -0.792 95 HA ARG 55 HA ARG 55 26.276 10.746 -0.219 96 HB2 ARG 55 1HB ARG 55 25.871 12.416 1.587 97 HB3 ARG 55 2HB ARG 55 27.511 11.776 1.509 98 HG2 ARG 55 1HG ARG 55 28.202 13.883 0.285 99 HG3 ARG 55 2HG ARG 55 26.597 14.528 0.641 100 HD2 ARG 55 1HD ARG 55 28.506 13.485 2.786 101 HD3 ARG 55 2HD ARG 55 28.562 15.140 2.201 102 HE ARG 55 HE ARG 55 26.698 14.042 4.081 103 HH11 ARG 55 1HH1 ARG 55 26.954 16.491 1.492 104 HH12 ARG 55 2HH1 ARG 55 25.903 17.616 2.299 105 HH21 ARG 55 1HH2 ARG 55 25.286 15.687 5.155 106 HH22 ARG 55 2HH2 ARG 55 25.004 17.149 4.255 107 H THR 56 H THR 56 24.319 10.638 -1.093 108 HA THR 56 HA THR 56 23.393 12.690 -2.889 109 HB THR 56 HB THR 56 21.417 10.993 -2.991 110 HG1 THR 56 1HG THR 56 22.426 8.857 -2.461 111 HG21 THR 56 3HG2 THR 56 23.253 11.195 -4.697 112 HG22 THR 56 1HG2 THR 56 22.703 9.532 -4.485 113 HG23 THR 56 2HG2 THR 56 24.235 10.062 -3.754 114 H GLY 57 H GLY 57 21.075 13.506 -2.665 115 HA2 GLY 57 1HA GLY 57 20.902 14.898 -0.119 116 HA3 GLY 57 2HA GLY 57 19.851 15.101 -1.525 117 H ARG 58 H ARG 58 18.651 12.831 -1.975 118 HA ARG 58 HA ARG 58 17.585 11.661 0.520 119 HB2 ARG 58 1HB ARG 58 16.294 13.850 -0.507 120 HB3 ARG 58 2HB ARG 58 15.586 12.640 -1.545 121 HG2 ARG 58 1HG ARG 58 14.084 12.810 0.230 122 HG3 ARG 58 2HG ARG 58 14.995 11.354 0.654 123 HD2 ARG 58 1HD ARG 58 16.410 12.666 2.165 124 HD3 ARG 58 2HD ARG 58 15.664 14.172 1.652 125 HE ARG 58 HE ARG 58 13.526 13.342 2.601 126 HH11 ARG 58 1HH1 ARG 58 16.584 12.035 3.938 127 HH12 ARG 58 2HH1 ARG 58 15.902 11.725 5.487 128 HH21 ARG 58 1HH2 ARG 58 12.782 13.214 4.765 129 HH22 ARG 58 2HH2 ARG 58 13.687 12.281 5.930 130 H VAL 59 H VAL 59 17.832 9.460 0.112 131 HA VAL 59 HA VAL 59 17.708 8.514 -2.683 132 HB VAL 59 HB VAL 59 18.151 6.255 -1.603 133 HG11 VAL 59 1HG1 VAL 59 20.155 8.530 -1.382 134 HG12 VAL 59 2HG1 VAL 59 20.576 6.798 -1.397 135 HG13 VAL 59 3HG1 VAL 59 19.819 7.535 -2.814 136 HG21 VAL 59 3HG2 VAL 59 19.246 6.203 0.573 137 HG22 VAL 59 1HG2 VAL 59 18.952 7.929 0.831 138 HG23 VAL 59 2HG2 VAL 59 17.598 6.782 0.767 139 H ASN 60 H ASN 60 15.764 8.501 -3.483 140 HA ASN 60 HA ASN 60 13.486 7.122 -2.223 141 HB2 ASN 60 1HB ASN 60 13.714 10.076 -2.848 142 HB3 ASN 60 2HB ASN 60 12.247 9.306 -3.370 143 HD21 ASN 60 2HD2 ASN 60 13.929 8.316 -0.349 144 HD22 ASN 60 1HD2 ASN 60 12.657 8.929 0.684 145 H GLY 61 H GLY 61 11.663 7.443 -4.214 146 HA2 GLY 61 1HA GLY 61 11.278 7.303 -6.526 147 HA3 GLY 61 2HA GLY 61 13.003 7.074 -6.833 148 H GLY 62 H GLY 62 11.090 5.280 -4.416 149 HA2 GLY 62 1HA GLY 62 10.016 3.146 -4.856 150 HA3 GLY 62 2HA GLY 62 11.273 2.771 -6.044 151 H HIS 63 H HIS 63 10.368 1.632 -3.298 152 HA HIS 63 HA HIS 63 13.062 1.266 -2.131 153 HB2 HIS 63 1HB HIS 63 10.380 1.671 -0.729 154 HB3 HIS 63 2HB HIS 63 11.874 1.188 0.081 155 HD1 HIS 63 HD1 HIS 63 13.963 3.124 -0.122 156 HD2 HIS 63 HD2 HIS 63 9.976 4.237 -0.969 157 HE1 HIS 63 HE1 HIS 63 13.904 5.649 -0.105 158 HA PRO 64 HA PRO 64 11.886 -2.979 -2.757 159 HB2 PRO 64 2HB PRO 64 13.474 -4.328 -0.986 160 HB3 PRO 64 3HB PRO 64 14.133 -3.444 -2.399 161 HG2 PRO 64 2HG PRO 64 13.949 -2.469 0.474 162 HG3 PRO 64 3HG PRO 64 15.361 -2.419 -0.619 163 HD2 PRO 64 2HD PRO 64 13.703 -0.281 -0.276 164 HD3 PRO 64 3HD PRO 64 14.450 -0.642 -1.861 165 H VAL 65 H VAL 65 9.981 -3.922 -2.134 166 HA VAL 65 HA VAL 65 9.253 -4.020 0.779 167 HB VAL 65 HB VAL 65 6.963 -3.729 0.171 168 HG11 VAL 65 1HG1 VAL 65 8.179 -1.689 0.603 169 HG12 VAL 65 2HG1 VAL 65 8.785 -1.607 -1.052 170 HG13 VAL 65 3HG1 VAL 65 7.079 -1.410 -0.761 171 HG21 VAL 65 3HG2 VAL 65 6.246 -3.164 -2.136 172 HG22 VAL 65 1HG2 VAL 65 7.864 -3.591 -2.734 173 HG23 VAL 65 2HG2 VAL 65 6.829 -4.824 -1.995 174 H THR 66 H THR 66 7.858 -5.834 1.412 175 HA THR 66 HA THR 66 8.231 -8.230 -0.305 176 HB THR 66 HB THR 66 8.270 -9.342 2.079 177 HG1 THR 66 1HG THR 66 9.609 -7.754 3.419 178 HG21 THR 66 3HG2 THR 66 10.143 -9.302 0.382 179 HG22 THR 66 1HG2 THR 66 10.703 -9.300 2.052 180 HG23 THR 66 2HG2 THR 66 10.717 -7.791 1.106 181 H THR 67 H THR 67 6.685 -9.978 0.231 182 HA THR 67 HA THR 67 4.056 -9.273 -0.167 183 HB THR 67 HB THR 67 5.139 -11.722 1.284 184 HG1 THR 67 1HG THR 67 4.904 -11.432 -1.548 185 HG21 THR 67 3HG2 THR 67 2.686 -11.304 -0.493 186 HG22 THR 67 1HG2 THR 67 2.685 -11.661 1.243 187 HG23 THR 67 2HG2 THR 67 3.253 -12.874 0.105 188 H GLN 68 H GLN 68 5.704 -9.922 2.935 189 HA GLN 68 HA GLN 68 3.499 -9.872 4.667 190 HB2 GLN 68 1HB GLN 68 5.116 -9.498 6.433 191 HB3 GLN 68 2HB GLN 68 5.799 -10.596 5.232 192 HG2 GLN 68 1HG GLN 68 6.739 -8.219 4.250 193 HG3 GLN 68 2HG GLN 68 6.563 -7.760 5.933 194 HE21 GLN 68 2HE2 GLN 68 7.701 -10.740 4.173 195 HE22 GLN 68 1HE2 GLN 68 9.275 -10.742 4.869 196 H MET 69 H MET 69 5.289 -7.108 3.163 197 HA MET 69 HA MET 69 4.065 -5.178 4.920 198 HB2 MET 69 1HB MET 69 5.388 -4.901 2.180 199 HB3 MET 69 2HB MET 69 4.895 -3.556 3.199 200 HG2 MET 69 1HG MET 69 6.431 -4.285 4.977 201 HG3 MET 69 2HG MET 69 6.878 -5.697 4.032 202 HE1 MET 69 3HE MET 69 6.477 -1.860 2.760 203 HE2 MET 69 1HE MET 69 7.168 -1.808 4.406 204 HE3 MET 69 2HE MET 69 8.158 -1.357 2.999 205 H VAL 70 H VAL 70 3.318 -6.493 1.675 206 HA VAL 70 HA VAL 70 1.124 -4.835 1.088 207 HB VAL 70 HB VAL 70 1.426 -7.703 0.141 208 HG11 VAL 70 1HG1 VAL 70 -0.718 -6.596 -0.399 209 HG12 VAL 70 2HG1 VAL 70 0.176 -5.280 -1.191 210 HG13 VAL 70 3HG1 VAL 70 0.251 -6.929 -1.837 211 HG21 VAL 70 3HG2 VAL 70 2.775 -5.212 -0.943 212 HG22 VAL 70 1HG2 VAL 70 3.557 -6.673 -0.288 213 HG23 VAL 70 2HG2 VAL 70 2.637 -6.748 -1.798 214 H GLU 71 H GLU 71 1.112 -8.149 2.470 215 HA GLU 71 HA GLU 71 -1.687 -8.165 2.892 216 HB2 GLU 71 1HB GLU 71 -1.354 -9.999 4.434 217 HB3 GLU 71 2HB GLU 71 -0.498 -10.235 2.908 218 HG2 GLU 71 1HG GLU 71 1.470 -10.408 3.876 219 HG3 GLU 71 2HG GLU 71 1.228 -9.011 4.888 220 H THR 72 H THR 72 0.923 -7.054 5.086 221 HA THR 72 HA THR 72 -0.717 -6.596 7.330 222 HB THR 72 HB THR 72 1.644 -4.871 6.485 223 HG1 THR 72 1HG THR 72 2.194 -7.062 6.718 224 HG21 THR 72 3HG2 THR 72 0.293 -3.820 8.279 225 HG22 THR 72 1HG2 THR 72 1.788 -4.452 8.957 226 HG23 THR 72 2HG2 THR 72 0.259 -5.335 9.186 227 H VAL 73 H VAL 73 0.137 -4.047 4.809 228 HA VAL 73 HA VAL 73 -1.767 -2.201 5.769 229 HB VAL 73 HB VAL 73 -1.040 -2.680 2.871 230 HG11 VAL 73 1HG1 VAL 73 -2.063 -0.122 4.182 231 HG12 VAL 73 2HG1 VAL 73 -1.638 -0.354 2.464 232 HG13 VAL 73 3HG1 VAL 73 -3.019 -1.187 3.132 233 HG21 VAL 73 3HG2 VAL 73 0.592 -0.841 3.129 234 HG22 VAL 73 1HG2 VAL 73 0.328 -0.865 4.878 235 HG23 VAL 73 2HG2 VAL 73 1.006 -2.285 4.060 236 H GLN 74 H GLN 74 -2.209 -4.816 3.335 237 HA GLN 74 HA GLN 74 -4.850 -4.210 2.660 238 HB2 GLN 74 1HB GLN 74 -3.473 -5.869 1.464 239 HB3 GLN 74 2HB GLN 74 -3.556 -6.956 2.844 240 HG2 GLN 74 1HG GLN 74 -5.051 -7.750 1.219 241 HG3 GLN 74 2HG GLN 74 -6.032 -7.155 2.536 242 HE21 GLN 74 2HE2 GLN 74 -6.743 -4.507 2.053 243 HE22 GLN 74 1HE2 GLN 74 -7.214 -4.346 0.378 244 H ASN 75 H ASN 75 -3.745 -6.228 5.383 245 HA ASN 75 HA ASN 75 -6.341 -7.091 6.233 246 HB2 ASN 75 1HB ASN 75 -3.791 -6.641 7.863 247 HB3 ASN 75 2HB ASN 75 -5.235 -7.470 8.426 248 HD21 ASN 75 2HD2 ASN 75 -2.182 -8.181 7.432 249 HD22 ASN 75 1HD2 ASN 75 -2.501 -9.793 6.917 250 H LEU 76 H LEU 76 -4.288 -4.309 7.086 251 HA LEU 76 HA LEU 76 -6.220 -3.204 8.964 252 HB2 LEU 76 1HB LEU 76 -3.699 -1.972 7.776 253 HB3 LEU 76 2HB LEU 76 -4.579 -1.405 9.193 254 HG LEU 76 HG LEU 76 -2.967 -3.965 8.938 255 HD11 LEU 76 1HD1 LEU 76 -2.703 -1.614 10.825 256 HD12 LEU 76 2HD1 LEU 76 -1.698 -1.925 9.386 257 HD13 LEU 76 3HD1 LEU 76 -1.658 -3.049 10.747 258 HD21 LEU 76 3HD2 LEU 76 -4.883 -3.217 11.135 259 HD22 LEU 76 1HD2 LEU 76 -3.573 -4.402 11.315 260 HD23 LEU 76 2HD2 LEU 76 -4.857 -4.691 10.136 261 H ALA 77 H ALA 77 -5.880 -2.996 5.562 262 HA ALA 77 HA ALA 77 -7.863 -0.801 5.384 263 HB1 ALA 77 3HB ALA 77 -5.377 -1.129 3.650 264 HB2 ALA 77 1HB ALA 77 -6.612 0.128 3.504 265 HB3 ALA 77 2HB ALA 77 -5.559 0.074 4.937 266 HA PRO 78 HA PRO 78 -8.892 -4.775 3.117 267 HB2 PRO 78 2HB PRO 78 -11.529 -4.976 3.877 268 HB3 PRO 78 3HB PRO 78 -10.151 -5.598 4.848 269 HG2 PRO 78 2HG PRO 78 -11.550 -2.918 5.113 270 HG3 PRO 78 3HG PRO 78 -11.228 -4.110 6.412 271 HD2 PRO 78 2HD PRO 78 -9.576 -2.019 6.040 272 HD3 PRO 78 3HD PRO 78 -8.883 -3.638 6.357 273 H ASN 79 H ASN 79 -10.349 -1.572 3.229 274 HA ASN 79 HA ASN 79 -12.057 -1.871 0.932 275 HB2 ASN 79 1HB ASN 79 -12.136 -0.120 2.837 276 HB3 ASN 79 2HB ASN 79 -10.848 0.719 1.992 277 HD21 ASN 79 2HD2 ASN 79 -12.611 -0.351 -0.620 278 HD22 ASN 79 1HD2 ASN 79 -13.776 0.965 -0.671 279 H LEU 80 H LEU 80 -8.592 -1.621 1.151 280 HA LEU 80 HA LEU 80 -8.330 -0.334 -1.479 281 HB2 LEU 80 1HB LEU 80 -6.409 -1.336 0.661 282 HB3 LEU 80 2HB LEU 80 -5.828 -0.794 -0.880 283 HG LEU 80 HG LEU 80 -7.342 0.880 1.177 284 HD11 LEU 80 1HD1 LEU 80 -5.213 2.041 1.427 285 HD12 LEU 80 2HD1 LEU 80 -4.469 1.064 0.169 286 HD13 LEU 80 3HD1 LEU 80 -4.948 0.306 1.686 287 HD21 LEU 80 3HD2 LEU 80 -6.742 2.831 -0.308 288 HD22 LEU 80 1HD2 LEU 80 -7.958 1.776 -0.993 289 HD23 LEU 80 2HD2 LEU 80 -6.283 1.689 -1.592 290 H HIS 81 H HIS 81 -7.062 -1.287 -3.193 291 HA HIS 81 HA HIS 81 -7.614 -4.107 -3.629 292 HB2 HIS 81 1HB HIS 81 -7.621 -2.229 -5.406 293 HB3 HIS 81 2HB HIS 81 -5.882 -2.218 -5.274 294 HD2 HIS 81 HD2 HIS 81 -8.808 -4.316 -6.611 295 HE1 HIS 81 HE1 HIS 81 -5.238 -6.087 -8.113 296 HE2 HIS 81 HE2 HIS 81 -7.815 -6.122 -8.214 297 HA PRO 82 HA PRO 82 -3.706 -5.319 -1.852 298 HB2 PRO 82 2HB PRO 82 -3.155 -7.666 -3.170 299 HB3 PRO 82 3HB PRO 82 -4.360 -7.499 -1.855 300 HG2 PRO 82 2HG PRO 82 -4.829 -7.456 -4.847 301 HG3 PRO 82 3HG PRO 82 -5.761 -8.324 -3.601 302 HD2 PRO 82 2HD PRO 82 -6.546 -5.925 -4.648 303 HD3 PRO 82 3HD PRO 82 -6.871 -6.322 -2.947 304 H GLU 83 H GLU 83 -3.944 -5.078 -5.412 305 HA GLU 83 HA GLU 83 -1.101 -5.154 -5.737 306 HB2 GLU 83 1HB GLU 83 -3.261 -5.606 -7.339 307 HB3 GLU 83 2HB GLU 83 -2.866 -3.960 -7.845 308 HG2 GLU 83 1HG GLU 83 -1.799 -5.383 -9.329 309 HG3 GLU 83 2HG GLU 83 -0.485 -4.863 -8.267 310 H GLN 84 H GLN 84 -3.512 -2.503 -5.506 311 HA GLN 84 HA GLN 84 -1.735 -0.360 -6.206 312 HB2 GLN 84 1HB GLN 84 -4.027 -0.441 -4.243 313 HB3 GLN 84 2HB GLN 84 -3.239 1.045 -4.765 314 HG2 GLN 84 1HG GLN 84 -4.049 0.730 -7.038 315 HG3 GLN 84 2HG GLN 84 -4.709 -0.851 -6.603 316 HE21 GLN 84 2HE2 GLN 84 -5.009 2.662 -5.632 317 HE22 GLN 84 1HE2 GLN 84 -6.695 2.572 -5.314 318 H ILE 85 H ILE 85 -2.299 -2.139 -3.170 319 HA ILE 85 HA ILE 85 -0.906 -0.476 -1.394 320 HB ILE 85 HB ILE 85 -1.356 -3.473 -1.419 321 HG12 ILE 85 1HG1 ILE 85 -2.593 -1.284 0.303 322 HG13 ILE 85 2HG1 ILE 85 -3.318 -1.882 -1.180 323 HG21 ILE 85 1HG2 ILE 85 -0.188 -1.793 0.834 324 HG22 ILE 85 2HG2 ILE 85 -0.662 -3.514 0.927 325 HG23 ILE 85 3HG2 ILE 85 0.660 -3.039 -0.102 326 HD11 ILE 85 3HD1 ILE 85 -2.815 -3.469 1.331 327 HD12 ILE 85 1HD1 ILE 85 -4.380 -3.081 0.566 328 HD13 ILE 85 2HD1 ILE 85 -3.242 -4.210 -0.206 329 H ARG 86 H ARG 86 0.418 -3.367 -3.192 330 HA ARG 86 HA ARG 86 3.079 -3.104 -2.407 331 HB2 ARG 86 1HB ARG 86 2.551 -4.994 -3.657 332 HB3 ARG 86 2HB ARG 86 1.803 -4.085 -4.969 333 HG2 ARG 86 1HG ARG 86 4.758 -3.665 -4.430 334 HG3 ARG 86 2HG ARG 86 4.243 -5.155 -5.187 335 HD2 ARG 86 1HD ARG 86 3.662 -4.211 -7.131 336 HD3 ARG 86 2HD ARG 86 2.980 -2.776 -6.422 337 HE ARG 86 HE ARG 86 5.335 -1.988 -6.057 338 HH11 ARG 86 1HH1 ARG 86 4.444 -4.072 -8.831 339 HH12 ARG 86 2HH1 ARG 86 5.787 -3.581 -9.805 340 HH21 ARG 86 1HH2 ARG 86 7.380 -1.632 -7.383 341 HH22 ARG 86 2HH2 ARG 86 7.410 -2.170 -8.996 342 H TYR 87 H TYR 87 1.500 -1.257 -5.078 343 HA TYR 87 HA TYR 87 3.926 0.068 -5.778 344 HB2 TYR 87 2HB TYR 87 1.756 -0.072 -7.114 345 HB3 TYR 87 3HB TYR 87 1.094 1.150 -6.066 346 HD1 TYR 87 2HD TYR 87 4.552 0.829 -7.682 347 HD2 TYR 87 1HD TYR 87 0.895 3.139 -7.261 348 HE1 TYR 87 2HE TYR 87 5.477 2.545 -9.144 349 HE2 TYR 87 1HE TYR 87 1.851 4.883 -8.747 350 HH TYR 87 HH TYR 87 4.863 4.346 -10.533 351 H SER 88 H SER 88 1.320 0.938 -3.536 352 HA SER 88 HA SER 88 2.385 3.552 -2.971 353 HB2 SER 88 1HB SER 88 0.020 2.731 -2.568 354 HB3 SER 88 2HB SER 88 0.616 1.929 -1.105 355 HG SER 88 HG SER 88 1.161 4.674 -1.636 356 H LEU 89 H LEU 89 2.820 0.365 -1.416 357 HA LEU 89 HA LEU 89 4.469 1.152 0.752 358 HB2 LEU 89 1HB LEU 89 4.485 -1.378 -0.949 359 HB3 LEU 89 2HB LEU 89 5.387 -1.185 0.552 360 HG LEU 89 HG LEU 89 2.369 -0.937 0.454 361 HD11 LEU 89 1HD1 LEU 89 2.945 -3.144 -0.263 362 HD12 LEU 89 2HD1 LEU 89 2.475 -3.221 1.450 363 HD13 LEU 89 3HD1 LEU 89 4.194 -3.302 0.979 364 HD21 LEU 89 3HD2 LEU 89 2.687 -1.445 2.864 365 HD22 LEU 89 1HD2 LEU 89 3.252 0.140 2.335 366 HD23 LEU 89 2HD2 LEU 89 4.420 -1.154 2.668 367 H GLU 90 H GLU 90 5.312 0.470 -2.715 368 HA GLU 90 HA GLU 90 8.155 0.585 -2.154 369 HB2 GLU 90 1HB GLU 90 6.469 0.667 -4.694 370 HB3 GLU 90 2HB GLU 90 8.209 0.939 -4.687 371 HG2 GLU 90 1HG GLU 90 8.216 -1.331 -3.240 372 HG3 GLU 90 2HG GLU 90 6.647 -1.563 -3.974 373 H ASN 91 H ASN 91 5.692 2.917 -3.079 374 HA ASN 91 HA ASN 91 7.614 5.021 -3.703 375 HB2 ASN 91 1HB ASN 91 4.604 4.991 -3.268 376 HB3 ASN 91 2HB ASN 91 5.493 6.512 -3.351 377 HD21 ASN 91 2HD2 ASN 91 4.585 3.623 -5.230 378 HD22 ASN 91 1HD2 ASN 91 5.042 4.264 -6.770 379 H THR 92 H THR 92 5.496 4.372 -0.900 380 HA THR 92 HA THR 92 6.477 6.558 0.673 381 HB THR 92 HB THR 92 5.126 5.481 2.435 382 HG1 THR 92 1HG THR 92 4.385 3.456 0.682 383 HG21 THR 92 3HG2 THR 92 3.726 5.467 -0.265 384 HG22 THR 92 1HG2 THR 92 3.750 6.755 0.945 385 HG23 THR 92 2HG2 THR 92 2.922 5.231 1.308 386 H GLY 93 H GLY 93 7.131 3.030 0.627 387 HA2 GLY 93 1HA GLY 93 9.165 1.998 1.083 388 HA3 GLY 93 2HA GLY 93 9.718 3.388 2.013 389 H SER 94 H SER 94 6.525 2.896 3.144 390 HA SER 94 HA SER 94 7.206 0.681 4.941 391 HB2 SER 94 1HB SER 94 8.166 2.840 5.875 392 HB3 SER 94 2HB SER 94 6.468 3.313 6.178 393 HG SER 94 HG SER 94 7.606 2.118 7.883 394 H VAL 95 H VAL 95 5.571 -0.136 6.038 395 HA VAL 95 HA VAL 95 2.977 -0.262 4.739 396 HB VAL 95 HB VAL 95 4.057 -1.278 7.407 397 HG11 VAL 95 1HG1 VAL 95 1.507 -1.070 7.436 398 HG12 VAL 95 2HG1 VAL 95 1.516 -2.387 6.238 399 HG13 VAL 95 3HG1 VAL 95 2.265 -2.594 7.828 400 HG21 VAL 95 3HG2 VAL 95 3.513 -2.712 4.794 401 HG22 VAL 95 1HG2 VAL 95 5.121 -2.316 5.465 402 HG23 VAL 95 2HG2 VAL 95 4.077 -3.465 6.298 403 H GLU 96 H GLU 96 4.198 0.946 7.850 404 HA GLU 96 HA GLU 96 1.895 1.972 8.912 405 HB2 GLU 96 1HB GLU 96 3.344 3.001 10.452 406 HB3 GLU 96 2HB GLU 96 4.156 1.530 9.838 407 HG2 GLU 96 1HG GLU 96 5.426 3.041 8.271 408 HG3 GLU 96 2HG GLU 96 4.775 4.403 9.179 409 H GLU 97 H GLU 97 4.213 3.727 6.770 410 HA GLU 97 HA GLU 97 2.795 6.180 6.783 411 HB2 GLU 97 1HB GLU 97 5.174 5.745 5.947 412 HB3 GLU 97 2HB GLU 97 4.460 5.013 4.507 413 HG2 GLU 97 1HG GLU 97 5.001 7.281 3.942 414 HG3 GLU 97 2HG GLU 97 3.253 7.216 4.074 415 H THR 98 H THR 98 2.596 3.310 4.675 416 HA THR 98 HA THR 98 0.665 4.271 2.856 417 HB THR 98 HB THR 98 1.227 1.414 3.699 418 HG1 THR 98 1HG THR 98 3.136 2.407 2.943 419 HG21 THR 98 3HG2 THR 98 0.503 0.873 1.414 420 HG22 THR 98 1HG2 THR 98 0.192 2.594 1.096 421 HG23 THR 98 2HG2 THR 98 -0.806 1.712 2.273 422 H VAL 99 H VAL 99 0.358 2.737 5.980 423 HA VAL 99 HA VAL 99 -2.537 2.461 5.893 424 HB VAL 99 HB VAL 99 -0.446 2.196 8.093 425 HG11 VAL 99 1HG1 VAL 99 -2.545 2.877 9.203 426 HG12 VAL 99 2HG1 VAL 99 -3.409 1.578 8.330 427 HG13 VAL 99 3HG1 VAL 99 -2.151 1.187 9.527 428 HG21 VAL 99 3HG2 VAL 99 -2.266 0.129 6.763 429 HG22 VAL 99 1HG2 VAL 99 -0.586 0.432 6.310 430 HG23 VAL 99 2HG2 VAL 99 -0.948 -0.183 7.921 431 H GLU 100 H GLU 100 -0.254 4.925 7.090 432 HA GLU 100 HA GLU 100 -2.185 6.561 8.440 433 HB2 GLU 100 1HB GLU 100 0.651 6.969 7.437 434 HB3 GLU 100 2HB GLU 100 -0.284 8.287 8.141 435 HG2 GLU 100 1HG GLU 100 -0.681 6.972 10.176 436 HG3 GLU 100 2HG GLU 100 0.231 5.621 9.543 437 H ARG 101 H ARG 101 -0.853 6.543 5.113 438 HA ARG 101 HA ARG 101 -2.336 8.930 4.392 439 HB2 ARG 101 1HB ARG 101 -1.541 8.533 2.166 440 HB3 ARG 101 2HB ARG 101 -0.227 8.396 3.343 441 HG2 ARG 101 1HG ARG 101 -0.676 5.878 3.275 442 HG3 ARG 101 2HG ARG 101 -1.701 6.186 1.880 443 HD2 ARG 101 1HD ARG 101 1.283 6.632 2.194 444 HD3 ARG 101 2HD ARG 101 0.484 5.469 1.137 445 HE ARG 101 HE ARG 101 0.621 8.384 0.968 446 HH11 ARG 101 1HH1 ARG 101 -0.641 5.463 -0.684 447 HH12 ARG 101 2HH1 ARG 101 -1.617 6.399 -1.788 448 HH21 ARG 101 1HH2 ARG 101 -0.620 9.551 -0.671 449 HH22 ARG 101 2HH2 ARG 101 -1.408 8.640 -1.919 450 H TYR 102 H TYR 102 -2.837 5.540 4.292 451 HA TYR 102 HA TYR 102 -5.215 5.432 2.610 452 HB2 TYR 102 2HB TYR 102 -4.320 3.362 3.002 453 HB3 TYR 102 3HB TYR 102 -4.029 3.638 4.708 454 HD1 TYR 102 1HD TYR 102 -6.963 3.397 2.327 455 HD2 TYR 102 2HD TYR 102 -5.425 2.790 6.308 456 HE1 TYR 102 1HE TYR 102 -9.078 2.312 2.972 457 HE2 TYR 102 2HE TYR 102 -7.524 1.744 6.982 458 HH TYR 102 HH TYR 102 -9.608 0.842 6.204 459 H LEU 103 H LEU 103 -4.938 5.472 6.215 460 HA LEU 103 HA LEU 103 -7.706 5.831 6.634 461 HB2 LEU 103 1HB LEU 103 -7.205 6.421 8.902 462 HB3 LEU 103 2HB LEU 103 -6.349 5.001 8.350 463 HG LEU 103 HG LEU 103 -4.355 6.661 8.003 464 HD11 LEU 103 1HD1 LEU 103 -5.547 8.789 8.540 465 HD12 LEU 103 2HD1 LEU 103 -4.279 8.467 9.715 466 HD13 LEU 103 3HD1 LEU 103 -5.965 8.130 10.135 467 HD21 LEU 103 3HD2 LEU 103 -4.293 4.819 9.566 468 HD22 LEU 103 1HD2 LEU 103 -5.296 5.720 10.734 469 HD23 LEU 103 2HD2 LEU 103 -3.645 6.252 10.363 470 H ARG 104 H ARG 104 -5.449 8.171 5.562 471 HA ARG 104 HA ARG 104 -7.287 10.402 6.315 472 HB2 ARG 104 1HB ARG 104 -5.666 11.974 5.879 473 HB3 ARG 104 2HB ARG 104 -4.824 10.645 6.679 474 HG2 ARG 104 1HG ARG 104 -4.194 9.820 4.462 475 HG3 ARG 104 2HG ARG 104 -4.788 11.281 3.689 476 HD2 ARG 104 1HD ARG 104 -2.616 11.170 5.840 477 HD3 ARG 104 2HD ARG 104 -2.293 11.050 4.103 478 HE ARG 104 HE ARG 104 -3.851 13.372 4.639 479 HH11 ARG 104 1HH1 ARG 104 -0.530 12.055 5.021 480 HH12 ARG 104 2HH1 ARG 104 0.212 13.610 4.933 481 HH21 ARG 104 1HH2 ARG 104 -2.766 15.367 4.208 482 HH22 ARG 104 2HH2 ARG 104 -1.044 15.485 4.284 483 H GLY 105 H GLY 105 -6.979 8.162 3.854 484 HA2 GLY 105 1HA GLY 105 -8.116 7.822 1.986 485 HA3 GLY 105 2HA GLY 105 -8.987 9.337 2.245 486 H ASP 106 H ASP 106 -5.441 8.889 1.873 487 HA ASP 106 HA ASP 106 -5.365 10.983 -0.136 488 HB2 ASP 106 1HB ASP 106 -3.623 10.418 1.614 489 HB3 ASP 106 2HB ASP 106 -3.179 9.039 0.616 490 H GLU 107 H GLU 107 -3.827 10.261 -2.179 491 HA GLU 107 HA GLU 107 -5.481 8.521 -3.870 492 HB2 GLU 107 1HB GLU 107 -2.970 10.176 -4.328 493 HB3 GLU 107 2HB GLU 107 -3.713 9.169 -5.568 494 HG2 GLU 107 1HG GLU 107 -5.824 10.427 -5.395 495 HG3 GLU 107 2HG GLU 107 -5.105 11.466 -4.141 496 H PHE 108 H PHE 108 -5.126 6.553 -4.499 497 HA PHE 108 HA PHE 108 -2.498 5.224 -4.072 498 HB2 PHE 108 2HB PHE 108 -5.319 4.258 -3.471 499 HB3 PHE 108 3HB PHE 108 -3.984 3.159 -3.787 500 HD1 PHE 108 2HD PHE 108 -5.072 5.894 -1.473 501 HD2 PHE 108 1HD PHE 108 -2.364 2.615 -2.167 502 HE1 PHE 108 2HE PHE 108 -4.324 6.036 0.849 503 HE2 PHE 108 1HE PHE 108 -1.771 2.608 0.214 504 HZ PHE 108 HZ PHE 108 -2.717 4.317 1.749 505 H SER 109 H SER 109 -1.747 5.000 -6.015 506 HA SER 109 HA SER 109 -3.512 4.584 -8.366 507 HB2 SER 109 1HB SER 109 -0.545 5.223 -8.172 508 HB3 SER 109 2HB SER 109 -1.522 5.208 -9.640 509 HG SER 109 HG SER 109 -1.359 7.324 -8.767 510 H PHE 110 H PHE 110 -2.326 2.971 -10.023 511 HA PHE 110 HA PHE 110 -1.943 0.452 -8.499 512 HB2 PHE 110 2HB PHE 110 -2.914 1.112 -11.284 513 HB3 PHE 110 3HB PHE 110 -2.301 -0.477 -10.894 514 HD1 PHE 110 1HD PHE 110 -5.004 1.954 -10.036 515 HD2 PHE 110 2HD PHE 110 -3.508 -2.071 -9.573 516 HE1 PHE 110 1HE PHE 110 -7.139 1.271 -9.041 517 HE2 PHE 110 2HE PHE 110 -5.652 -2.756 -8.591 518 HZ PHE 110 HZ PHE 110 -7.455 -1.099 -8.239 519 HA PRO 111 HA PRO 111 2.272 0.323 -9.630 520 HB2 PRO 111 2HB PRO 111 2.756 -2.401 -10.027 521 HB3 PRO 111 3HB PRO 111 2.601 -1.623 -8.436 522 HG2 PRO 111 2HG PRO 111 0.565 -3.195 -9.986 523 HG3 PRO 111 3HG PRO 111 0.871 -3.162 -8.213 524 HD2 PRO 111 2HD PRO 111 -1.184 -1.800 -9.481 525 HD3 PRO 111 3HD PRO 111 -0.453 -1.253 -7.949 526 HA PRO 112 HA PRO 112 2.771 0.328 -13.958 527 HB2 PRO 112 2HB PRO 112 5.285 -0.764 -14.392 528 HB3 PRO 112 3HB PRO 112 4.980 0.894 -13.790 529 HG2 PRO 112 2HG PRO 112 5.603 -1.580 -12.152 530 HG3 PRO 112 3HG PRO 112 6.317 0.057 -12.018 531 HD2 PRO 112 2HD PRO 112 4.353 -0.702 -10.367 532 HD3 PRO 112 3HD PRO 112 4.329 0.949 -11.060 533 H GLY 113 H GLY 113 2.308 -0.954 -15.736 534 HA2 GLY 113 1HA GLY 113 2.002 -2.818 -16.988 535 HA3 GLY 113 2HA GLY 113 2.566 -3.864 -15.677 536 H PHE 114 H PHE 114 0.373 -2.031 -14.028 537 HA PHE 114 HA PHE 114 -1.681 -4.104 -14.271 538 HB2 PHE 114 2HB PHE 114 -1.044 -2.957 -12.110 539 HB3 PHE 114 3HB PHE 114 -1.713 -1.464 -12.767 540 HD1 PHE 114 1HD PHE 114 -4.205 -1.291 -13.223 541 HD2 PHE 114 2HD PHE 114 -2.461 -4.766 -11.346 542 HE1 PHE 114 1HE PHE 114 -6.438 -2.028 -12.498 543 HE2 PHE 114 2HE PHE 114 -4.699 -5.465 -10.556 544 HZ PHE 114 HZ PHE 114 -6.694 -4.092 -11.105 545 H GLU 115 H GLU 115 -1.268 -0.689 -15.025 546 HA GLU 115 HA GLU 115 -3.865 -0.363 -16.336 547 HB2 GLU 115 1HB GLU 115 -1.467 1.514 -16.442 548 HB3 GLU 115 2HB GLU 115 -3.134 1.880 -16.793 549 HG2 GLU 115 1HG GLU 115 -3.707 1.497 -14.374 550 HG3 GLU 115 2HG GLU 115 -1.973 1.214 -14.052 Start of MODEL 2 1 H1 GLY 41 H GLY 41 -4.835 20.474 -49.933 2 HA2 GLY 41 1HA GLY 41 -4.211 22.838 -49.582 3 HA3 GLY 41 2HA GLY 41 -5.978 22.626 -49.665 4 H ALA 42 H ALA 42 -5.183 24.861 -48.344 5 HA ALA 42 HA ALA 42 -5.383 26.061 -46.550 6 HB1 ALA 42 3HB ALA 42 -6.862 25.428 -44.768 7 HB2 ALA 42 1HB ALA 42 -7.545 24.911 -46.318 8 HB3 ALA 42 2HB ALA 42 -6.782 23.721 -45.228 9 H MET 43 H MET 43 -3.354 23.289 -46.265 10 HA MET 43 HA MET 43 -2.474 23.783 -43.567 11 HB2 MET 43 1HB MET 43 -0.513 22.408 -44.193 12 HB3 MET 43 2HB MET 43 -2.041 21.613 -44.513 13 HG2 MET 43 1HG MET 43 -0.638 23.126 -46.731 14 HG3 MET 43 2HG MET 43 -0.045 21.552 -46.249 15 HE1 MET 43 3HE MET 43 -2.532 19.724 -45.646 16 HE2 MET 43 1HE MET 43 -2.730 19.020 -47.263 17 HE3 MET 43 2HE MET 43 -1.103 19.317 -46.622 18 H GLY 44 H GLY 44 -0.200 24.582 -43.069 19 HA2 GLY 44 1HA GLY 44 1.641 25.950 -44.327 20 HA3 GLY 44 2HA GLY 44 0.309 27.102 -44.559 21 HA PRO 45 HA PRO 45 0.910 28.504 -40.389 22 HB2 PRO 45 2HB PRO 45 -1.581 29.015 -39.366 23 HB3 PRO 45 3HB PRO 45 -0.861 29.957 -40.705 24 HG2 PRO 45 2HG PRO 45 -2.794 27.627 -40.907 25 HG3 PRO 45 3HG PRO 45 -2.910 29.230 -41.706 26 HD2 PRO 45 2HD PRO 45 -1.900 27.061 -42.990 27 HD3 PRO 45 3HD PRO 45 -1.194 28.685 -43.241 28 H GLN 46 H GLN 46 -0.162 25.431 -40.947 29 HA GLN 46 HA GLN 46 0.228 24.510 -38.228 30 HB2 GLN 46 1HB GLN 46 -2.309 24.823 -38.751 31 HB3 GLN 46 2HB GLN 46 -2.121 23.508 -39.909 32 HG2 GLN 46 1HG GLN 46 -1.624 23.405 -36.891 33 HG3 GLN 46 2HG GLN 46 -3.024 22.739 -37.741 34 HE21 GLN 46 2HE2 GLN 46 -0.334 21.609 -36.155 35 HE22 GLN 46 1HE2 GLN 46 0.251 20.465 -37.337 36 H GLY 47 H GLY 47 1.444 22.592 -38.392 37 HA2 GLY 47 1HA GLY 47 1.703 20.971 -40.717 38 HA3 GLY 47 2HA GLY 47 3.095 22.063 -40.525 39 H SER 48 H SER 48 4.680 20.529 -39.762 40 HA SER 48 HA SER 48 4.320 19.581 -37.043 41 HB2 SER 48 1HB SER 48 3.417 17.775 -38.678 42 HB3 SER 48 2HB SER 48 5.110 17.568 -39.179 43 HG SER 48 HG SER 48 3.789 16.840 -36.873 44 H THR 49 H THR 49 6.541 18.510 -36.387 45 HA THR 49 HA THR 49 8.907 19.177 -37.800 46 HB THR 49 HB THR 49 8.289 21.493 -37.206 47 HG1 THR 49 1HG THR 49 10.269 21.794 -35.738 48 HG21 THR 49 3HG2 THR 49 6.918 21.094 -35.190 49 HG22 THR 49 1HG2 THR 49 8.192 22.278 -34.901 50 HG23 THR 49 2HG2 THR 49 8.367 20.617 -34.287 51 H GLN 50 H GLN 50 10.683 19.253 -35.743 52 HA GLN 50 HA GLN 50 10.124 16.996 -33.884 53 HB2 GLN 50 1HB GLN 50 12.666 17.252 -35.548 54 HB3 GLN 50 2HB GLN 50 12.334 16.067 -34.278 55 HG2 GLN 50 1HG GLN 50 10.174 15.589 -35.833 56 HG3 GLN 50 2HG GLN 50 11.271 16.193 -37.076 57 HE21 GLN 50 2HE2 GLN 50 10.578 13.558 -34.775 58 HE22 GLN 50 1HE2 GLN 50 11.623 12.441 -35.579 59 H ASN 51 H ASN 51 9.930 19.753 -33.448 60 HA ASN 51 HA ASN 51 12.221 20.987 -32.242 61 HB2 ASN 51 1HB ASN 51 9.219 21.432 -31.928 62 HB3 ASN 51 2HB ASN 51 10.427 22.344 -31.020 63 HD21 ASN 51 2HD2 ASN 51 9.341 24.220 -32.124 64 HD22 ASN 51 1HD2 ASN 51 10.022 24.664 -33.693 65 H ALA 52 H ALA 52 13.263 19.728 -30.744 66 HA ALA 52 HA ALA 52 11.828 18.985 -28.264 67 HB1 ALA 52 3HB ALA 52 12.926 16.770 -28.286 68 HB2 ALA 52 1HB ALA 52 11.866 16.958 -29.694 69 HB3 ALA 52 2HB ALA 52 13.626 17.112 -29.880 70 H LEU 53 H LEU 53 13.397 18.429 -26.554 71 HA LEU 53 HA LEU 53 16.058 19.719 -26.812 72 HB2 LEU 53 1HB LEU 53 15.670 20.756 -24.555 73 HB3 LEU 53 2HB LEU 53 14.807 21.427 -25.913 74 HG LEU 53 HG LEU 53 12.713 20.346 -25.224 75 HD11 LEU 53 1HD1 LEU 53 12.541 19.320 -22.952 76 HD12 LEU 53 2HD1 LEU 53 14.322 19.304 -22.854 77 HD13 LEU 53 3HD1 LEU 53 13.475 18.344 -24.078 78 HD21 LEU 53 3HD2 LEU 53 12.318 21.712 -23.240 79 HD22 LEU 53 1HD2 LEU 53 13.269 22.594 -24.436 80 HD23 LEU 53 2HD2 LEU 53 14.077 21.913 -23.011 81 H ARG 54 H ARG 54 16.944 19.273 -24.197 82 HA ARG 54 HA ARG 54 17.818 16.539 -24.475 83 HB2 ARG 54 1HB ARG 54 18.141 18.600 -22.244 84 HB3 ARG 54 2HB ARG 54 18.774 16.991 -22.117 85 HG2 ARG 54 1HG ARG 54 20.613 18.053 -22.848 86 HG3 ARG 54 2HG ARG 54 20.004 17.428 -24.374 87 HD2 ARG 54 1HD ARG 54 19.160 20.197 -23.507 88 HD3 ARG 54 2HD ARG 54 20.843 19.943 -23.961 89 HE ARG 54 HE ARG 54 19.483 18.853 -26.068 90 HH11 ARG 54 1HH1 ARG 54 19.807 22.060 -24.527 91 HH12 ARG 54 2HH1 ARG 54 19.632 22.895 -26.049 92 HH21 ARG 54 1HH2 ARG 54 19.226 20.076 -28.057 93 HH22 ARG 54 2HH2 ARG 54 19.359 21.812 -27.967 94 H ARG 55 H ARG 55 17.837 15.024 -22.618 95 HA ARG 55 HA ARG 55 15.088 14.283 -22.019 96 HB2 ARG 55 1HB ARG 55 16.021 12.219 -21.183 97 HB3 ARG 55 2HB ARG 55 16.815 12.647 -22.676 98 HG2 ARG 55 1HG ARG 55 18.618 11.959 -21.485 99 HG3 ARG 55 2HG ARG 55 18.692 13.682 -21.098 100 HD2 ARG 55 1HD ARG 55 17.675 13.301 -18.943 101 HD3 ARG 55 2HD ARG 55 17.279 11.624 -19.376 102 HE ARG 55 HE ARG 55 20.123 12.286 -19.466 103 HH11 ARG 55 1HH1 ARG 55 17.487 11.274 -17.314 104 HH12 ARG 55 2HH1 ARG 55 18.435 10.011 -16.594 105 HH21 ARG 55 1HH2 ARG 55 21.435 11.079 -18.185 106 HH22 ARG 55 2HH2 ARG 55 20.887 10.248 -16.754 107 H THR 56 H THR 56 14.927 13.293 -19.521 108 HA THR 56 HA THR 56 15.717 15.485 -17.691 109 HB THR 56 HB THR 56 13.364 15.699 -18.610 110 HG1 THR 56 1HG THR 56 13.840 16.601 -16.589 111 HG21 THR 56 3HG2 THR 56 11.638 14.162 -17.666 112 HG22 THR 56 1HG2 THR 56 12.901 13.139 -17.005 113 HG23 THR 56 2HG2 THR 56 12.734 13.325 -18.765 114 H GLY 57 H GLY 57 15.178 14.742 -15.361 115 HA2 GLY 57 1HA GLY 57 16.798 12.434 -14.794 116 HA3 GLY 57 2HA GLY 57 15.943 13.474 -13.634 117 H ARG 58 H ARG 58 13.646 13.173 -13.426 118 HA ARG 58 HA ARG 58 12.316 11.442 -12.392 119 HB2 ARG 58 1HB ARG 58 11.289 12.194 -15.160 120 HB3 ARG 58 2HB ARG 58 10.349 11.435 -13.880 121 HG2 ARG 58 1HG ARG 58 9.725 13.588 -13.676 122 HG3 ARG 58 2HG ARG 58 10.931 13.452 -12.399 123 HD2 ARG 58 1HD ARG 58 11.859 14.378 -15.119 124 HD3 ARG 58 2HD ARG 58 10.788 15.476 -14.276 125 HE ARG 58 HE ARG 58 13.521 15.293 -13.844 126 HH11 ARG 58 1HH1 ARG 58 10.518 15.795 -12.006 127 HH12 ARG 58 2HH1 ARG 58 11.320 16.601 -10.717 128 HH21 ARG 58 1HH2 ARG 58 14.567 16.189 -12.105 129 HH22 ARG 58 2HH2 ARG 58 13.689 16.604 -10.649 130 H VAL 59 H VAL 59 13.553 9.479 -12.252 131 HA VAL 59 HA VAL 59 12.686 7.455 -14.239 132 HB VAL 59 HB VAL 59 15.083 8.119 -14.487 133 HG11 VAL 59 1HG1 VAL 59 16.734 7.296 -12.846 134 HG12 VAL 59 2HG1 VAL 59 15.729 8.599 -12.190 135 HG13 VAL 59 3HG1 VAL 59 15.439 6.907 -11.721 136 HG21 VAL 59 3HG2 VAL 59 15.968 5.867 -14.661 137 HG22 VAL 59 1HG2 VAL 59 14.671 5.243 -13.633 138 HG23 VAL 59 2HG2 VAL 59 14.299 5.944 -15.227 139 H ASN 60 H ASN 60 12.483 5.299 -13.277 140 HA ASN 60 HA ASN 60 11.083 5.411 -10.731 141 HB2 ASN 60 1HB ASN 60 12.056 2.933 -12.215 142 HB3 ASN 60 2HB ASN 60 10.785 2.999 -10.998 143 HD21 ASN 60 2HD2 ASN 60 8.901 4.780 -11.692 144 HD22 ASN 60 1HD2 ASN 60 8.476 4.612 -13.375 145 H GLY 61 H GLY 61 11.728 4.200 -8.779 146 HA2 GLY 61 1HA GLY 61 13.982 2.798 -8.187 147 HA3 GLY 61 2HA GLY 61 14.609 4.444 -8.279 148 H GLY 62 H GLY 62 11.477 3.143 -6.960 149 HA2 GLY 62 1HA GLY 62 11.611 4.876 -4.655 150 HA3 GLY 62 2HA GLY 62 10.407 3.627 -5.009 151 H HIS 63 H HIS 63 10.409 2.368 -3.204 152 HA HIS 63 HA HIS 63 13.012 1.337 -2.163 153 HB2 HIS 63 1HB HIS 63 10.350 1.701 -0.773 154 HB3 HIS 63 2HB HIS 63 11.842 1.181 0.005 155 HD1 HIS 63 HD1 HIS 63 13.925 3.274 -0.305 156 HD2 HIS 63 HD2 HIS 63 9.818 4.211 -0.659 157 HE1 HIS 63 HE1 HIS 63 13.713 5.799 0.006 158 HA PRO 64 HA PRO 64 11.467 -2.758 -3.084 159 HB2 PRO 64 2HB PRO 64 12.865 -4.303 -1.321 160 HB3 PRO 64 3HB PRO 64 13.661 -3.446 -2.673 161 HG2 PRO 64 2HG PRO 64 13.416 -2.579 0.203 162 HG3 PRO 64 3HG PRO 64 14.900 -2.600 -0.804 163 HD2 PRO 64 2HD PRO 64 13.404 -0.359 -0.390 164 HD3 PRO 64 3HD PRO 64 14.204 -0.688 -1.966 165 H VAL 65 H VAL 65 9.940 -4.237 -2.332 166 HA VAL 65 HA VAL 65 8.946 -4.014 0.477 167 HB VAL 65 HB VAL 65 6.692 -3.855 -0.205 168 HG11 VAL 65 1HG1 VAL 65 6.658 -1.689 -1.377 169 HG12 VAL 65 2HG1 VAL 65 7.867 -1.708 -0.071 170 HG13 VAL 65 3HG1 VAL 65 8.338 -1.822 -1.782 171 HG21 VAL 65 3HG2 VAL 65 5.922 -3.568 -2.497 172 HG22 VAL 65 1HG2 VAL 65 7.554 -3.886 -3.126 173 HG23 VAL 65 2HG2 VAL 65 6.641 -5.169 -2.286 174 H THR 66 H THR 66 7.515 -5.812 1.135 175 HA THR 66 HA THR 66 8.199 -8.324 -0.245 176 HB THR 66 HB THR 66 8.311 -9.265 2.158 177 HG1 THR 66 1HG THR 66 8.763 -6.508 2.626 178 HG21 THR 66 3HG2 THR 66 10.290 -9.188 0.733 179 HG22 THR 66 1HG2 THR 66 10.720 -8.728 2.379 180 HG23 THR 66 2HG2 THR 66 10.567 -7.476 1.127 181 H THR 67 H THR 67 6.732 -10.081 0.322 182 HA THR 67 HA THR 67 4.097 -9.668 -0.178 183 HB THR 67 HB THR 67 5.301 -11.772 1.645 184 HG1 THR 67 1HG THR 67 5.371 -11.854 -1.186 185 HG21 THR 67 3HG2 THR 67 3.752 -13.357 0.583 186 HG22 THR 67 1HG2 THR 67 3.099 -12.057 -0.437 187 HG23 THR 67 2HG2 THR 67 2.870 -12.026 1.333 188 H GLN 68 H GLN 68 5.619 -9.969 3.052 189 HA GLN 68 HA GLN 68 3.277 -9.862 4.626 190 HB2 GLN 68 1HB GLN 68 4.821 -9.502 6.477 191 HB3 GLN 68 2HB GLN 68 5.461 -10.709 5.369 192 HG2 GLN 68 1HG GLN 68 6.636 -8.368 4.423 193 HG3 GLN 68 2HG GLN 68 6.505 -8.020 6.139 194 HE21 GLN 68 2HE2 GLN 68 8.767 -8.838 4.152 195 HE22 GLN 68 1HE2 GLN 68 9.565 -10.230 4.857 196 H MET 69 H MET 69 5.268 -7.144 3.246 197 HA MET 69 HA MET 69 4.083 -5.204 4.985 198 HB2 MET 69 1HB MET 69 5.344 -5.052 2.223 199 HB3 MET 69 2HB MET 69 4.868 -3.631 3.158 200 HG2 MET 69 1HG MET 69 6.479 -4.158 4.889 201 HG3 MET 69 2HG MET 69 6.820 -5.720 4.162 202 HE1 MET 69 3HE MET 69 6.547 -2.090 2.315 203 HE2 MET 69 1HE MET 69 7.259 -1.851 3.924 204 HE3 MET 69 2HE MET 69 8.252 -1.632 2.472 205 H VAL 70 H VAL 70 3.233 -6.552 1.776 206 HA VAL 70 HA VAL 70 1.036 -4.892 1.253 207 HB VAL 70 HB VAL 70 1.192 -7.776 0.338 208 HG11 VAL 70 1HG1 VAL 70 -0.021 -7.025 -1.575 209 HG12 VAL 70 2HG1 VAL 70 -0.863 -6.479 -0.120 210 HG13 VAL 70 3HG1 VAL 70 0.108 -5.328 -1.059 211 HG21 VAL 70 3HG2 VAL 70 3.379 -6.905 -0.165 212 HG22 VAL 70 1HG2 VAL 70 2.401 -7.019 -1.637 213 HG23 VAL 70 2HG2 VAL 70 2.671 -5.428 -0.872 214 H GLU 71 H GLU 71 1.018 -8.204 2.728 215 HA GLU 71 HA GLU 71 -1.806 -8.091 3.134 216 HB2 GLU 71 1HB GLU 71 -1.408 -9.830 4.940 217 HB3 GLU 71 2HB GLU 71 -1.006 -10.245 3.259 218 HG2 GLU 71 1HG GLU 71 1.235 -10.171 3.635 219 HG3 GLU 71 2HG GLU 71 1.099 -9.167 5.059 220 H THR 72 H THR 72 0.839 -6.924 5.277 221 HA THR 72 HA THR 72 -0.917 -6.450 7.494 222 HB THR 72 HB THR 72 1.649 -5.082 6.689 223 HG1 THR 72 1HG THR 72 0.871 -7.075 8.576 224 HG21 THR 72 3HG2 THR 72 0.389 -3.607 8.280 225 HG22 THR 72 1HG2 THR 72 1.806 -4.324 9.049 226 HG23 THR 72 2HG2 THR 72 0.181 -4.974 9.382 227 H VAL 73 H VAL 73 0.127 -3.994 4.933 228 HA VAL 73 HA VAL 73 -1.713 -2.060 5.854 229 HB VAL 73 HB VAL 73 -1.086 -2.599 2.955 230 HG11 VAL 73 1HG1 VAL 73 -1.597 0.139 4.165 231 HG12 VAL 73 2HG1 VAL 73 -1.642 -0.376 2.455 232 HG13 VAL 73 3HG1 VAL 73 -2.913 -0.852 3.555 233 HG21 VAL 73 3HG2 VAL 73 0.500 -0.881 4.890 234 HG22 VAL 73 1HG2 VAL 73 1.045 -2.361 4.071 235 HG23 VAL 73 2HG2 VAL 73 0.700 -0.909 3.129 236 H GLN 74 H GLN 74 -2.225 -4.739 3.548 237 HA GLN 74 HA GLN 74 -4.888 -4.281 2.819 238 HB2 GLN 74 1HB GLN 74 -3.430 -6.021 1.917 239 HB3 GLN 74 2HB GLN 74 -3.730 -7.004 3.354 240 HG2 GLN 74 1HG GLN 74 -5.243 -7.850 1.791 241 HG3 GLN 74 2HG GLN 74 -6.222 -6.842 2.829 242 HE21 GLN 74 2HE2 GLN 74 -6.902 -4.600 1.914 243 HE22 GLN 74 1HE2 GLN 74 -6.911 -4.461 0.167 244 H ASN 75 H ASN 75 -3.831 -6.147 5.676 245 HA ASN 75 HA ASN 75 -6.432 -6.794 6.640 246 HB2 ASN 75 1HB ASN 75 -3.821 -6.281 8.151 247 HB3 ASN 75 2HB ASN 75 -5.307 -6.799 8.906 248 HD21 ASN 75 2HD2 ASN 75 -2.582 -7.911 6.999 249 HD22 ASN 75 1HD2 ASN 75 -2.973 -9.590 7.200 250 H LEU 76 H LEU 76 -4.299 -3.983 7.284 251 HA LEU 76 HA LEU 76 -6.256 -2.813 9.126 252 HB2 LEU 76 1HB LEU 76 -3.820 -1.478 7.918 253 HB3 LEU 76 2HB LEU 76 -4.718 -0.999 9.356 254 HG LEU 76 HG LEU 76 -2.936 -3.439 9.014 255 HD11 LEU 76 1HD1 LEU 76 -2.820 -1.127 10.952 256 HD12 LEU 76 2HD1 LEU 76 -1.776 -1.370 9.543 257 HD13 LEU 76 3HD1 LEU 76 -1.695 -2.497 10.888 258 HD21 LEU 76 3HD2 LEU 76 -4.796 -2.877 11.336 259 HD22 LEU 76 1HD2 LEU 76 -3.428 -4.022 11.368 260 HD23 LEU 76 2HD2 LEU 76 -4.772 -4.319 10.277 261 H ALA 77 H ALA 77 -5.706 -2.610 5.681 262 HA ALA 77 HA ALA 77 -7.838 -0.553 5.424 263 HB1 ALA 77 3HB ALA 77 -5.768 0.527 5.053 264 HB2 ALA 77 1HB ALA 77 -5.126 -0.734 4.121 265 HB3 ALA 77 2HB ALA 77 -6.446 0.211 3.416 266 HA PRO 78 HA PRO 78 -8.880 -4.561 3.297 267 HB2 PRO 78 2HB PRO 78 -11.544 -4.612 4.025 268 HB3 PRO 78 3HB PRO 78 -10.204 -5.209 5.047 269 HG2 PRO 78 2HG PRO 78 -11.536 -2.494 5.168 270 HG3 PRO 78 3HG PRO 78 -11.218 -3.630 6.519 271 HD2 PRO 78 2HD PRO 78 -9.557 -1.603 6.024 272 HD3 PRO 78 3HD PRO 78 -8.903 -3.212 6.452 273 H ASN 79 H ASN 79 -10.111 -1.313 3.075 274 HA ASN 79 HA ASN 79 -11.780 -1.835 0.731 275 HB2 ASN 79 1HB ASN 79 -11.981 -0.012 2.690 276 HB3 ASN 79 2HB ASN 79 -11.077 0.958 1.525 277 HD21 ASN 79 2HD2 ASN 79 -12.034 0.554 -0.855 278 HD22 ASN 79 1HD2 ASN 79 -13.787 0.786 -0.943 279 H LEU 80 H LEU 80 -8.600 -2.092 0.804 280 HA LEU 80 HA LEU 80 -8.119 -0.523 -1.724 281 HB2 LEU 80 1HB LEU 80 -6.323 -1.428 0.530 282 HB3 LEU 80 2HB LEU 80 -5.659 -0.980 -1.008 283 HG LEU 80 HG LEU 80 -7.154 0.806 0.940 284 HD11 LEU 80 1HD1 LEU 80 -4.743 0.306 1.383 285 HD12 LEU 80 2HD1 LEU 80 -5.014 2.012 0.982 286 HD13 LEU 80 3HD1 LEU 80 -4.340 0.912 -0.248 287 HD21 LEU 80 3HD2 LEU 80 -6.253 1.468 -1.908 288 HD22 LEU 80 1HD2 LEU 80 -6.650 2.687 -0.673 289 HD23 LEU 80 2HD2 LEU 80 -7.910 1.580 -1.238 290 H HIS 81 H HIS 81 -6.832 -1.436 -3.375 291 HA HIS 81 HA HIS 81 -7.381 -4.239 -3.830 292 HB2 HIS 81 1HB HIS 81 -7.451 -2.291 -5.507 293 HB3 HIS 81 2HB HIS 81 -5.699 -2.283 -5.408 294 HD2 HIS 81 HD2 HIS 81 -8.637 -4.371 -6.787 295 HE1 HIS 81 HE1 HIS 81 -5.030 -6.012 -8.345 296 HE2 HIS 81 HE2 HIS 81 -7.548 -6.105 -8.476 297 HA PRO 82 HA PRO 82 -3.498 -5.655 -2.201 298 HB2 PRO 82 2HB PRO 82 -2.973 -7.875 -3.756 299 HB3 PRO 82 3HB PRO 82 -4.144 -7.810 -2.408 300 HG2 PRO 82 2HG PRO 82 -4.713 -7.579 -5.341 301 HG3 PRO 82 3HG PRO 82 -5.640 -8.448 -4.062 302 HD2 PRO 82 2HD PRO 82 -6.315 -6.005 -5.033 303 HD3 PRO 82 3HD PRO 82 -6.657 -6.493 -3.340 304 H GLU 83 H GLU 83 -3.700 -5.051 -5.711 305 HA GLU 83 HA GLU 83 -0.810 -5.057 -5.997 306 HB2 GLU 83 1HB GLU 83 -3.149 -4.991 -7.710 307 HB3 GLU 83 2HB GLU 83 -2.043 -3.708 -8.187 308 HG2 GLU 83 1HG GLU 83 -1.516 -5.546 -9.496 309 HG3 GLU 83 2HG GLU 83 -0.228 -5.512 -8.279 310 H GLN 84 H GLN 84 -3.349 -2.560 -5.570 311 HA GLN 84 HA GLN 84 -1.725 -0.256 -6.043 312 HB2 GLN 84 1HB GLN 84 -3.949 -0.633 -3.998 313 HB3 GLN 84 2HB GLN 84 -3.222 0.905 -4.405 314 HG2 GLN 84 1HG GLN 84 -4.028 0.840 -6.659 315 HG3 GLN 84 2HG GLN 84 -4.694 -0.781 -6.447 316 HE21 GLN 84 2HE2 GLN 84 -5.190 2.578 -6.011 317 HE22 GLN 84 1HE2 GLN 84 -6.708 2.598 -5.271 318 H ILE 85 H ILE 85 -2.439 -2.068 -3.030 319 HA ILE 85 HA ILE 85 -1.016 -0.561 -1.176 320 HB ILE 85 HB ILE 85 -1.373 -3.567 -1.413 321 HG12 ILE 85 1HG1 ILE 85 -2.819 -1.666 0.477 322 HG13 ILE 85 2HG1 ILE 85 -3.426 -1.996 -1.135 323 HG21 ILE 85 1HG2 ILE 85 -0.370 -1.909 0.936 324 HG22 ILE 85 2HG2 ILE 85 -0.861 -3.621 1.039 325 HG23 ILE 85 3HG2 ILE 85 0.521 -3.159 0.061 326 HD11 ILE 85 3HD1 ILE 85 -3.214 -4.512 -0.558 327 HD12 ILE 85 1HD1 ILE 85 -3.101 -3.957 1.111 328 HD13 ILE 85 2HD1 ILE 85 -4.541 -3.577 0.138 329 H ARG 86 H ARG 86 0.217 -3.428 -2.992 330 HA ARG 86 HA ARG 86 2.879 -3.294 -2.269 331 HB2 ARG 86 1HB ARG 86 1.937 -5.143 -3.367 332 HB3 ARG 86 2HB ARG 86 1.414 -4.219 -4.763 333 HG2 ARG 86 1HG ARG 86 4.349 -4.283 -4.079 334 HG3 ARG 86 2HG ARG 86 3.616 -5.702 -4.802 335 HD2 ARG 86 1HD ARG 86 3.178 -4.720 -6.829 336 HD3 ARG 86 2HD ARG 86 2.965 -3.121 -6.164 337 HE ARG 86 HE ARG 86 5.121 -2.652 -6.341 338 HH11 ARG 86 1HH1 ARG 86 4.747 -6.272 -6.508 339 HH12 ARG 86 2HH1 ARG 86 6.450 -6.551 -6.616 340 HH21 ARG 86 1HH2 ARG 86 7.466 -3.240 -6.757 341 HH22 ARG 86 2HH2 ARG 86 7.919 -4.930 -6.714 342 H TYR 87 H TYR 87 1.493 -1.475 -5.132 343 HA TYR 87 HA TYR 87 4.019 -0.268 -5.716 344 HB2 TYR 87 2HB TYR 87 1.953 -0.398 -7.180 345 HB3 TYR 87 3HB TYR 87 1.235 0.862 -6.227 346 HD1 TYR 87 2HD TYR 87 4.790 0.576 -7.554 347 HD2 TYR 87 1HD TYR 87 1.022 2.669 -7.722 348 HE1 TYR 87 2HE TYR 87 5.795 2.248 -9.039 349 HE2 TYR 87 1HE TYR 87 2.020 4.353 -9.222 350 HH TYR 87 HH TYR 87 5.486 4.318 -10.156 351 H SER 88 H SER 88 1.472 0.547 -3.585 352 HA SER 88 HA SER 88 2.232 3.300 -3.023 353 HB2 SER 88 1HB SER 88 -0.039 2.150 -2.526 354 HB3 SER 88 2HB SER 88 0.726 1.566 -1.039 355 HG SER 88 HG SER 88 0.311 4.240 -1.939 356 H LEU 89 H LEU 89 2.817 0.193 -1.416 357 HA LEU 89 HA LEU 89 4.520 1.019 0.671 358 HB2 LEU 89 1HB LEU 89 4.452 -1.556 -0.936 359 HB3 LEU 89 2HB LEU 89 5.415 -1.320 0.508 360 HG LEU 89 HG LEU 89 2.390 -1.027 0.520 361 HD11 LEU 89 1HD1 LEU 89 4.163 -3.448 0.975 362 HD12 LEU 89 2HD1 LEU 89 2.838 -3.258 -0.183 363 HD13 LEU 89 3HD1 LEU 89 2.473 -3.303 1.543 364 HD21 LEU 89 3HD2 LEU 89 3.366 0.038 2.352 365 HD22 LEU 89 1HD2 LEU 89 4.511 -1.275 2.666 366 HD23 LEU 89 2HD2 LEU 89 2.774 -1.525 2.926 367 H GLU 90 H GLU 90 5.221 0.336 -2.802 368 HA GLU 90 HA GLU 90 8.100 0.482 -2.413 369 HB2 GLU 90 1HB GLU 90 6.346 0.937 -4.872 370 HB3 GLU 90 2HB GLU 90 8.099 0.995 -4.899 371 HG2 GLU 90 1HG GLU 90 8.229 -1.343 -4.136 372 HG3 GLU 90 2HG GLU 90 6.469 -1.432 -4.067 373 H ASN 91 H ASN 91 5.593 2.881 -3.197 374 HA ASN 91 HA ASN 91 7.570 4.977 -3.733 375 HB2 ASN 91 1HB ASN 91 4.537 4.993 -3.450 376 HB3 ASN 91 2HB ASN 91 5.531 6.440 -3.628 377 HD21 ASN 91 2HD2 ASN 91 4.589 3.439 -5.320 378 HD22 ASN 91 1HD2 ASN 91 4.894 4.074 -6.895 379 H THR 92 H THR 92 5.379 4.231 -0.935 380 HA THR 92 HA THR 92 6.264 6.484 0.628 381 HB THR 92 HB THR 92 4.953 5.304 2.367 382 HG1 THR 92 1HG THR 92 4.237 3.326 0.548 383 HG21 THR 92 3HG2 THR 92 3.596 6.619 0.835 384 HG22 THR 92 1HG2 THR 92 2.757 5.115 1.247 385 HG23 THR 92 2HG2 THR 92 3.531 5.280 -0.334 386 H GLY 93 H GLY 93 7.034 3.015 0.479 387 HA2 GLY 93 1HA GLY 93 9.055 1.988 0.899 388 HA3 GLY 93 2HA GLY 93 9.601 3.347 1.877 389 H SER 94 H SER 94 6.638 2.994 3.241 390 HA SER 94 HA SER 94 7.235 0.597 4.868 391 HB2 SER 94 1HB SER 94 7.054 3.427 5.908 392 HB3 SER 94 2HB SER 94 6.952 1.948 6.897 393 HG SER 94 HG SER 94 9.077 2.603 6.872 394 H VAL 95 H VAL 95 5.649 -0.228 5.913 395 HA VAL 95 HA VAL 95 3.019 -0.236 4.787 396 HB VAL 95 HB VAL 95 4.127 -1.254 7.443 397 HG11 VAL 95 1HG1 VAL 95 1.525 -1.067 7.303 398 HG12 VAL 95 2HG1 VAL 95 1.675 -2.493 6.251 399 HG13 VAL 95 3HG1 VAL 95 2.337 -2.497 7.902 400 HG21 VAL 95 3HG2 VAL 95 5.230 -2.277 5.509 401 HG22 VAL 95 1HG2 VAL 95 4.235 -3.436 6.407 402 HG23 VAL 95 2HG2 VAL 95 3.631 -2.750 4.869 403 H GLU 96 H GLU 96 4.364 1.062 7.837 404 HA GLU 96 HA GLU 96 2.116 2.129 8.940 405 HB2 GLU 96 1HB GLU 96 3.650 3.304 10.359 406 HB3 GLU 96 2HB GLU 96 4.430 1.795 9.847 407 HG2 GLU 96 1HG GLU 96 5.555 3.214 8.005 408 HG3 GLU 96 2HG GLU 96 5.057 4.608 8.956 409 H GLU 97 H GLU 97 4.292 3.804 6.630 410 HA GLU 97 HA GLU 97 2.794 6.242 6.656 411 HB2 GLU 97 1HB GLU 97 5.092 6.149 5.784 412 HB3 GLU 97 2HB GLU 97 4.603 5.053 4.497 413 HG2 GLU 97 1HG GLU 97 4.895 7.370 3.688 414 HG3 GLU 97 2HG GLU 97 3.259 6.769 3.430 415 H THR 98 H THR 98 2.638 3.326 4.610 416 HA THR 98 HA THR 98 0.660 4.190 2.813 417 HB THR 98 HB THR 98 1.204 1.353 3.733 418 HG1 THR 98 1HG THR 98 3.129 2.390 2.999 419 HG21 THR 98 3HG2 THR 98 0.229 2.505 1.101 420 HG22 THR 98 1HG2 THR 98 -0.805 1.678 2.272 421 HG23 THR 98 2HG2 THR 98 0.499 0.780 1.451 422 H VAL 99 H VAL 99 0.335 2.675 5.993 423 HA VAL 99 HA VAL 99 -2.573 2.490 5.814 424 HB VAL 99 HB VAL 99 -0.695 2.193 8.191 425 HG11 VAL 99 1HG1 VAL 99 -2.658 1.038 9.267 426 HG12 VAL 99 2HG1 VAL 99 -2.914 2.757 9.037 427 HG13 VAL 99 3HG1 VAL 99 -3.695 1.611 7.934 428 HG21 VAL 99 3HG2 VAL 99 -0.508 0.466 6.350 429 HG22 VAL 99 1HG2 VAL 99 -1.023 -0.185 7.884 430 HG23 VAL 99 2HG2 VAL 99 -2.219 0.087 6.592 431 H GLU 100 H GLU 100 -0.221 4.794 7.251 432 HA GLU 100 HA GLU 100 -2.052 6.489 8.575 433 HB2 GLU 100 1HB GLU 100 0.752 6.788 7.512 434 HB3 GLU 100 2HB GLU 100 -0.066 8.183 8.159 435 HG2 GLU 100 1HG GLU 100 0.029 5.623 9.801 436 HG3 GLU 100 2HG GLU 100 1.453 6.657 9.690 437 H ARG 101 H ARG 101 -1.000 6.408 5.168 438 HA ARG 101 HA ARG 101 -2.334 8.958 4.563 439 HB2 ARG 101 1HB ARG 101 -1.668 8.460 2.260 440 HB3 ARG 101 2HB ARG 101 -0.305 8.363 3.382 441 HG2 ARG 101 1HG ARG 101 -0.716 5.862 3.392 442 HG3 ARG 101 2HG ARG 101 -1.820 6.094 2.082 443 HD2 ARG 101 1HD ARG 101 1.154 6.616 2.220 444 HD3 ARG 101 2HD ARG 101 0.374 5.431 1.173 445 HE ARG 101 HE ARG 101 0.543 8.310 0.841 446 HH11 ARG 101 1HH1 ARG 101 -1.169 5.401 -0.362 447 HH12 ARG 101 2HH1 ARG 101 -1.906 6.296 -1.656 448 HH21 ARG 101 1HH2 ARG 101 -0.372 9.341 -0.910 449 HH22 ARG 101 2HH2 ARG 101 -1.422 8.471 -2.037 450 H TYR 102 H TYR 102 -2.931 5.493 4.163 451 HA TYR 102 HA TYR 102 -5.349 5.647 2.647 452 HB2 TYR 102 2HB TYR 102 -4.448 3.497 2.819 453 HB3 TYR 102 3HB TYR 102 -4.151 3.638 4.541 454 HD1 TYR 102 1HD TYR 102 -6.844 3.211 2.005 455 HD2 TYR 102 2HD TYR 102 -5.775 3.089 6.185 456 HE1 TYR 102 1HE TYR 102 -8.955 2.039 2.501 457 HE2 TYR 102 2HE TYR 102 -7.846 2.007 6.736 458 HH TYR 102 HH TYR 102 -10.039 1.563 5.828 459 H LEU 103 H LEU 103 -4.919 5.454 6.232 460 HA LEU 103 HA LEU 103 -7.690 5.746 6.802 461 HB2 LEU 103 1HB LEU 103 -7.038 6.159 9.044 462 HB3 LEU 103 2HB LEU 103 -6.226 4.744 8.376 463 HG LEU 103 HG LEU 103 -4.228 6.426 8.023 464 HD11 LEU 103 1HD1 LEU 103 -5.164 8.557 8.612 465 HD12 LEU 103 2HD1 LEU 103 -4.106 8.076 9.918 466 HD13 LEU 103 3HD1 LEU 103 -5.856 7.904 10.128 467 HD21 LEU 103 3HD2 LEU 103 -5.093 5.489 10.809 468 HD22 LEU 103 1HD2 LEU 103 -3.427 5.874 10.330 469 HD23 LEU 103 2HD2 LEU 103 -4.257 4.498 9.594 470 H ARG 104 H ARG 104 -5.649 8.003 5.570 471 HA ARG 104 HA ARG 104 -7.028 10.380 6.706 472 HB2 ARG 104 1HB ARG 104 -4.951 11.177 6.768 473 HB3 ARG 104 2HB ARG 104 -4.312 9.808 5.886 474 HG2 ARG 104 1HG ARG 104 -4.873 10.894 3.746 475 HG3 ARG 104 2HG ARG 104 -5.400 12.338 4.649 476 HD2 ARG 104 1HD ARG 104 -3.055 12.201 5.766 477 HD3 ARG 104 2HD ARG 104 -2.623 11.132 4.430 478 HE ARG 104 HE ARG 104 -3.871 13.634 3.613 479 HH11 ARG 104 1HH1 ARG 104 -0.734 11.944 4.011 480 HH12 ARG 104 2HH1 ARG 104 0.192 13.331 3.659 481 HH21 ARG 104 1HH2 ARG 104 -2.689 15.304 2.874 482 HH22 ARG 104 2HH2 ARG 104 -0.961 15.253 2.658 483 H GLY 105 H GLY 105 -7.036 8.259 3.936 484 HA2 GLY 105 1HA GLY 105 -8.699 8.256 2.332 485 HA3 GLY 105 2HA GLY 105 -9.078 9.952 2.665 486 H ASP 106 H ASP 106 -5.731 8.891 2.102 487 HA ASP 106 HA ASP 106 -5.475 10.770 -0.074 488 HB2 ASP 106 1HB ASP 106 -3.638 8.763 1.248 489 HB3 ASP 106 2HB ASP 106 -3.133 9.570 -0.232 490 H GLU 107 H GLU 107 -4.205 10.076 -2.077 491 HA GLU 107 HA GLU 107 -5.853 8.196 -3.630 492 HB2 GLU 107 1HB GLU 107 -4.925 9.182 -5.492 493 HB3 GLU 107 2HB GLU 107 -5.151 10.517 -4.384 494 HG2 GLU 107 1HG GLU 107 -2.754 10.484 -3.783 495 HG3 GLU 107 2HG GLU 107 -2.476 9.105 -4.869 496 H PHE 108 H PHE 108 -5.255 6.465 -4.726 497 HA PHE 108 HA PHE 108 -2.599 5.278 -4.172 498 HB2 PHE 108 2HB PHE 108 -5.340 4.112 -3.561 499 HB3 PHE 108 3HB PHE 108 -3.962 3.093 -3.921 500 HD1 PHE 108 2HD PHE 108 -5.115 5.727 -1.447 501 HD2 PHE 108 1HD PHE 108 -2.439 2.432 -2.277 502 HE1 PHE 108 2HE PHE 108 -4.295 5.824 0.841 503 HE2 PHE 108 1HE PHE 108 -1.732 2.449 0.077 504 HZ PHE 108 HZ PHE 108 -2.607 4.186 1.658 505 H SER 109 H SER 109 -1.841 5.183 -6.060 506 HA SER 109 HA SER 109 -3.397 4.432 -8.492 507 HB2 SER 109 1HB SER 109 -0.487 5.341 -8.141 508 HB3 SER 109 2HB SER 109 -1.139 4.776 -9.674 509 HG SER 109 HG SER 109 -1.397 6.860 -9.813 510 H PHE 110 H PHE 110 -2.392 2.755 -9.962 511 HA PHE 110 HA PHE 110 -1.733 0.331 -8.394 512 HB2 PHE 110 2HB PHE 110 -2.751 0.824 -11.203 513 HB3 PHE 110 3HB PHE 110 -2.210 -0.734 -10.716 514 HD1 PHE 110 1HD PHE 110 -4.631 1.951 -9.452 515 HD2 PHE 110 2HD PHE 110 -3.733 -2.266 -9.807 516 HE1 PHE 110 1HE PHE 110 -6.822 1.402 -8.495 517 HE2 PHE 110 2HE PHE 110 -5.945 -2.794 -8.866 518 HZ PHE 110 HZ PHE 110 -7.499 -0.968 -8.187 519 HA PRO 111 HA PRO 111 2.483 0.039 -9.601 520 HB2 PRO 111 2HB PRO 111 2.866 -2.655 -10.152 521 HB3 PRO 111 3HB PRO 111 2.674 -1.994 -8.515 522 HG2 PRO 111 2HG PRO 111 0.579 -3.243 -10.310 523 HG3 PRO 111 3HG PRO 111 0.877 -3.540 -8.572 524 HD2 PRO 111 2HD PRO 111 -1.089 -1.897 -9.386 525 HD3 PRO 111 3HD PRO 111 -0.122 -1.469 -7.957 526 HA PRO 112 HA PRO 112 3.180 0.376 -13.904 527 HB2 PRO 112 2HB PRO 112 5.645 -0.826 -14.361 528 HB3 PRO 112 3HB PRO 112 5.430 0.769 -13.584 529 HG2 PRO 112 2HG PRO 112 5.746 -1.924 -12.227 530 HG3 PRO 112 3HG PRO 112 6.634 -0.410 -11.880 531 HD2 PRO 112 2HD PRO 112 4.543 -1.096 -10.371 532 HD3 PRO 112 3HD PRO 112 4.684 0.597 -10.923 533 H GLY 113 H GLY 113 2.591 -0.655 -15.755 534 HA2 GLY 113 1HA GLY 113 2.394 -2.365 -17.283 535 HA3 GLY 113 2HA GLY 113 2.810 -3.573 -16.062 536 H PHE 114 H PHE 114 0.681 -2.002 -14.231 537 HA PHE 114 HA PHE 114 -1.458 -3.816 -14.774 538 HB2 PHE 114 2HB PHE 114 -0.787 -2.748 -12.554 539 HB3 PHE 114 3HB PHE 114 -1.543 -1.261 -13.108 540 HD1 PHE 114 2HD PHE 114 -2.084 -4.738 -11.974 541 HD2 PHE 114 1HD PHE 114 -4.016 -1.121 -13.344 542 HE1 PHE 114 2HE PHE 114 -4.264 -5.578 -11.142 543 HE2 PHE 114 1HE PHE 114 -6.174 -1.961 -12.490 544 HZ PHE 114 HZ PHE 114 -6.308 -4.199 -11.390 545 H GLU 115 H GLU 115 -1.093 -0.266 -15.261 546 HA GLU 115 HA GLU 115 -3.567 0.064 -16.744 547 HB2 GLU 115 1HB GLU 115 -1.087 1.811 -16.359 548 HB3 GLU 115 2HB GLU 115 -2.505 2.337 -17.236 549 HG2 GLU 115 1HG GLU 115 -2.607 1.436 -14.317 550 HG3 GLU 115 2HG GLU 115 -2.280 3.089 -14.809 Start of MODEL 3 1 H1 GLY 41 H GLY 41 2.948 -15.329 -40.269 2 HA2 GLY 41 1HA GLY 41 4.987 -14.088 -39.734 3 HA3 GLY 41 2HA GLY 41 4.063 -13.309 -38.434 4 H ALA 42 H ALA 42 5.360 -14.067 -36.706 5 HA ALA 42 HA ALA 42 4.820 -16.715 -35.721 6 HB1 ALA 42 3HB ALA 42 6.793 -17.214 -37.178 7 HB2 ALA 42 1HB ALA 42 7.700 -15.898 -36.391 8 HB3 ALA 42 2HB ALA 42 7.210 -17.330 -35.462 9 H MET 43 H MET 43 5.693 -16.761 -33.412 10 HA MET 43 HA MET 43 5.325 -14.153 -32.180 11 HB2 MET 43 1HB MET 43 4.429 -16.217 -31.196 12 HB3 MET 43 2HB MET 43 6.065 -16.841 -30.979 13 HG2 MET 43 1HG MET 43 6.595 -14.910 -29.494 14 HG3 MET 43 2HG MET 43 4.936 -14.336 -29.680 15 HE1 MET 43 3HE MET 43 2.979 -15.118 -28.417 16 HE2 MET 43 1HE MET 43 2.970 -16.591 -29.412 17 HE3 MET 43 2HE MET 43 2.787 -16.698 -27.648 18 H GLY 44 H GLY 44 7.958 -16.467 -31.420 19 HA2 GLY 44 1HA GLY 44 10.178 -16.214 -31.068 20 HA3 GLY 44 2HA GLY 44 10.143 -15.030 -32.380 21 HA PRO 45 HA PRO 45 11.335 -12.838 -28.456 22 HB2 PRO 45 2HB PRO 45 13.732 -11.806 -29.242 23 HB3 PRO 45 3HB PRO 45 13.569 -13.519 -28.751 24 HG2 PRO 45 2HG PRO 45 13.530 -12.380 -31.569 25 HG3 PRO 45 3HG PRO 45 14.515 -13.742 -30.942 26 HD2 PRO 45 2HD PRO 45 12.140 -14.114 -32.251 27 HD3 PRO 45 3HD PRO 45 12.658 -15.191 -30.916 28 H GLN 46 H GLN 46 11.797 -10.498 -28.163 29 HA GLN 46 HA GLN 46 10.605 -8.816 -30.326 30 HB2 GLN 46 1HB GLN 46 9.904 -7.312 -28.430 31 HB3 GLN 46 2HB GLN 46 9.025 -8.825 -28.651 32 HG2 GLN 46 1HG GLN 46 9.362 -8.386 -26.292 33 HG3 GLN 46 2HG GLN 46 10.206 -9.847 -26.764 34 HE21 GLN 46 2HE2 GLN 46 10.630 -6.413 -25.905 35 HE22 GLN 46 1HE2 GLN 46 12.337 -6.526 -25.498 36 H GLY 47 H GLY 47 13.474 -9.472 -28.805 37 HA2 GLY 47 1HA GLY 47 15.501 -8.510 -28.705 38 HA3 GLY 47 2HA GLY 47 14.965 -7.519 -30.065 39 H SER 48 H SER 48 15.035 -7.628 -26.437 40 HA SER 48 HA SER 48 14.186 -4.969 -26.039 41 HB2 SER 48 1HB SER 48 16.120 -5.699 -24.042 42 HB3 SER 48 2HB SER 48 14.360 -5.665 -23.904 43 HG SER 48 HG SER 48 15.737 -7.734 -23.595 44 H THR 49 H THR 49 15.379 -2.992 -25.915 45 HA THR 49 HA THR 49 18.267 -2.978 -26.277 46 HB THR 49 HB THR 49 17.525 -3.238 -28.588 47 HG1 THR 49 1HG THR 49 18.397 -1.239 -29.384 48 HG21 THR 49 3HG2 THR 49 16.180 -1.562 -29.757 49 HG22 THR 49 1HG2 THR 49 15.909 -0.678 -28.242 50 HG23 THR 49 2HG2 THR 49 15.228 -2.306 -28.470 51 H GLN 50 H GLN 50 19.125 -0.858 -25.706 52 HA GLN 50 HA GLN 50 17.302 1.296 -24.997 53 HB2 GLN 50 1HB GLN 50 17.047 -0.061 -23.022 54 HB3 GLN 50 2HB GLN 50 18.788 -0.299 -22.862 55 HG2 GLN 50 1HG GLN 50 19.120 1.744 -21.872 56 HG3 GLN 50 2HG GLN 50 17.943 2.556 -22.898 57 HE21 GLN 50 2HE2 GLN 50 17.776 -0.061 -20.341 58 HE22 GLN 50 1HE2 GLN 50 16.286 0.571 -19.674 59 H ASN 51 H ASN 51 18.377 3.093 -25.674 60 HA ASN 51 HA ASN 51 21.270 2.937 -26.204 61 HB2 ASN 51 1HB ASN 51 19.253 5.193 -26.519 62 HB3 ASN 51 2HB ASN 51 20.988 5.424 -26.711 63 HD21 ASN 51 2HD2 ASN 51 19.994 6.148 -28.910 64 HD22 ASN 51 1HD2 ASN 51 19.867 4.895 -30.126 65 H ALA 52 H ALA 52 19.455 5.455 -24.411 66 HA ALA 52 HA ALA 52 20.947 5.053 -21.934 67 HB1 ALA 52 3HB ALA 52 22.471 6.473 -23.381 68 HB2 ALA 52 1HB ALA 52 21.140 7.661 -23.516 69 HB3 ALA 52 2HB ALA 52 21.882 7.324 -21.941 70 H LEU 53 H LEU 53 20.316 7.131 -20.508 71 HA LEU 53 HA LEU 53 17.852 8.462 -20.933 72 HB2 LEU 53 1HB LEU 53 17.257 5.926 -20.244 73 HB3 LEU 53 2HB LEU 53 17.861 6.427 -18.666 74 HG LEU 53 HG LEU 53 16.138 8.303 -18.719 75 HD11 LEU 53 1HD1 LEU 53 14.264 8.017 -20.324 76 HD12 LEU 53 2HD1 LEU 53 15.136 6.687 -21.118 77 HD13 LEU 53 3HD1 LEU 53 15.771 8.330 -21.201 78 HD21 LEU 53 3HD2 LEU 53 15.791 6.252 -17.454 79 HD22 LEU 53 1HD2 LEU 53 15.111 5.475 -18.896 80 HD23 LEU 53 2HD2 LEU 53 14.271 6.848 -18.142 81 H ARG 54 H ARG 54 17.401 9.783 -18.812 82 HA ARG 54 HA ARG 54 19.989 10.615 -17.671 83 HB2 ARG 54 1HB ARG 54 17.072 11.430 -17.273 84 HB3 ARG 54 2HB ARG 54 18.295 11.920 -16.116 85 HG2 ARG 54 1HG ARG 54 17.996 13.742 -17.570 86 HG3 ARG 54 2HG ARG 54 19.585 13.069 -17.891 87 HD2 ARG 54 1HD ARG 54 18.632 11.919 -19.927 88 HD3 ARG 54 2HD ARG 54 17.077 12.673 -19.558 89 HE ARG 54 HE ARG 54 17.748 14.655 -20.365 90 HH11 ARG 54 1HH1 ARG 54 20.515 12.422 -20.483 91 HH12 ARG 54 2HH1 ARG 54 21.519 13.506 -21.371 92 HH21 ARG 54 1HH2 ARG 54 19.099 16.121 -21.532 93 HH22 ARG 54 2HH2 ARG 54 20.635 15.573 -22.097 94 H ARG 55 H ARG 55 20.241 10.594 -15.189 95 HA ARG 55 HA ARG 55 18.888 8.245 -13.930 96 HB2 ARG 55 1HB ARG 55 21.213 7.713 -14.740 97 HB3 ARG 55 2HB ARG 55 21.838 8.856 -13.559 98 HG2 ARG 55 1HG ARG 55 20.143 6.372 -12.994 99 HG3 ARG 55 2HG ARG 55 21.887 6.512 -12.772 100 HD2 ARG 55 1HD ARG 55 21.499 8.266 -11.024 101 HD3 ARG 55 2HD ARG 55 19.752 7.980 -11.168 102 HE ARG 55 HE ARG 55 20.786 5.478 -10.727 103 HH11 ARG 55 1HH1 ARG 55 20.546 8.524 -8.847 104 HH12 ARG 55 2HH1 ARG 55 20.923 7.728 -7.353 105 HH21 ARG 55 1HH2 ARG 55 21.040 4.501 -8.739 106 HH22 ARG 55 2HH2 ARG 55 21.229 5.399 -7.264 107 H THR 56 H THR 56 17.411 9.751 -12.939 108 HA THR 56 HA THR 56 18.540 11.015 -10.600 109 HB THR 56 HB THR 56 18.721 12.740 -12.392 110 HG1 THR 56 1HG THR 56 18.186 13.183 -10.076 111 HG21 THR 56 3HG2 THR 56 16.776 13.842 -13.313 112 HG22 THR 56 1HG2 THR 56 15.684 12.735 -12.460 113 HG23 THR 56 2HG2 THR 56 16.738 12.132 -13.757 114 H GLY 57 H GLY 57 16.660 11.698 -9.138 115 HA2 GLY 57 1HA GLY 57 14.745 9.525 -9.102 116 HA3 GLY 57 2HA GLY 57 14.826 10.886 -7.975 117 H ARG 58 H ARG 58 12.462 9.936 -8.868 118 HA ARG 58 HA ARG 58 11.365 11.989 -10.754 119 HB2 ARG 58 1HB ARG 58 10.650 9.066 -10.209 120 HB3 ARG 58 2HB ARG 58 9.490 10.168 -10.929 121 HG2 ARG 58 1HG ARG 58 10.594 8.796 -12.600 122 HG3 ARG 58 2HG ARG 58 10.829 10.521 -12.876 123 HD2 ARG 58 1HD ARG 58 13.142 10.390 -12.145 124 HD3 ARG 58 2HD ARG 58 12.910 8.742 -11.543 125 HE ARG 58 HE ARG 58 13.238 7.922 -13.595 126 HH11 ARG 58 1HH1 ARG 58 12.498 11.368 -13.985 127 HH12 ARG 58 2HH1 ARG 58 12.919 11.439 -15.659 128 HH21 ARG 58 1HH2 ARG 58 13.936 8.040 -15.762 129 HH22 ARG 58 2HH2 ARG 58 13.781 9.511 -16.708 130 H VAL 59 H VAL 59 8.779 12.038 -10.079 131 HA VAL 59 HA VAL 59 8.799 13.273 -7.477 132 HB VAL 59 HB VAL 59 6.405 12.421 -9.155 133 HG11 VAL 59 1HG1 VAL 59 6.768 14.614 -7.067 134 HG12 VAL 59 2HG1 VAL 59 5.312 14.358 -8.048 135 HG13 VAL 59 3HG1 VAL 59 5.817 13.122 -6.888 136 HG21 VAL 59 3HG2 VAL 59 8.059 14.987 -9.325 137 HG22 VAL 59 1HG2 VAL 59 7.818 13.788 -10.619 138 HG23 VAL 59 2HG2 VAL 59 6.463 14.763 -10.075 139 H ASN 60 H ASN 60 7.904 10.088 -8.747 140 HA ASN 60 HA ASN 60 6.738 9.067 -6.308 141 HB2 ASN 60 1HB ASN 60 7.662 7.838 -8.944 142 HB3 ASN 60 2HB ASN 60 7.085 6.834 -7.628 143 HD21 ASN 60 2HD2 ASN 60 4.894 7.394 -6.697 144 HD22 ASN 60 1HD2 ASN 60 3.653 7.923 -7.826 145 H GLY 61 H GLY 61 7.713 6.965 -5.341 146 HA2 GLY 61 1HA GLY 61 10.555 7.491 -4.615 147 HA3 GLY 61 2HA GLY 61 9.342 6.608 -3.675 148 H GLY 62 H GLY 62 11.211 5.051 -3.607 149 HA2 GLY 62 1HA GLY 62 10.717 2.806 -5.351 150 HA3 GLY 62 2HA GLY 62 12.228 3.605 -5.781 151 H HIS 63 H HIS 63 10.479 2.259 -2.903 152 HA HIS 63 HA HIS 63 13.101 1.490 -1.712 153 HB2 HIS 63 1HB HIS 63 10.433 2.275 -0.544 154 HB3 HIS 63 2HB HIS 63 11.450 1.153 0.350 155 HD1 HIS 63 HD1 HIS 63 14.252 2.233 0.542 156 HD2 HIS 63 HD2 HIS 63 10.789 4.660 0.332 157 HE1 HIS 63 HE1 HIS 63 14.951 4.535 1.289 158 HA PRO 64 HA PRO 64 11.966 -2.716 -2.458 159 HB2 PRO 64 2HB PRO 64 13.186 -4.098 -0.447 160 HB3 PRO 64 3HB PRO 64 14.121 -3.200 -1.683 161 HG2 PRO 64 2HG PRO 64 13.366 -2.254 1.099 162 HG3 PRO 64 3HG PRO 64 14.979 -2.234 0.326 163 HD2 PRO 64 2HD PRO 64 13.335 -0.067 0.313 164 HD3 PRO 64 3HD PRO 64 14.387 -0.447 -1.094 165 H VAL 65 H VAL 65 10.313 -4.115 -1.994 166 HA VAL 65 HA VAL 65 9.047 -3.974 0.662 167 HB VAL 65 HB VAL 65 6.852 -3.804 -0.149 168 HG11 VAL 65 1HG1 VAL 65 6.849 -1.626 -1.295 169 HG12 VAL 65 2HG1 VAL 65 7.935 -1.658 0.109 170 HG13 VAL 65 3HG1 VAL 65 8.576 -1.719 -1.546 171 HG21 VAL 65 3HG2 VAL 65 6.214 -3.508 -2.491 172 HG22 VAL 65 1HG2 VAL 65 7.882 -3.867 -3.008 173 HG23 VAL 65 2HG2 VAL 65 6.883 -5.108 -2.191 174 H THR 66 H THR 66 7.843 -5.822 1.242 175 HA THR 66 HA THR 66 8.447 -8.299 -0.272 176 HB THR 66 HB THR 66 8.463 -9.196 2.202 177 HG1 THR 66 1HG THR 66 9.437 -6.565 2.666 178 HG21 THR 66 3HG2 THR 66 10.464 -9.266 0.735 179 HG22 THR 66 1HG2 THR 66 10.906 -8.840 2.393 180 HG23 THR 66 2HG2 THR 66 10.834 -7.585 1.134 181 H THR 67 H THR 67 6.801 -10.054 0.250 182 HA THR 67 HA THR 67 4.204 -9.138 -0.132 183 HB THR 67 HB THR 67 5.176 -11.784 1.010 184 HG1 THR 67 1HG THR 67 5.309 -12.357 -1.144 185 HG21 THR 67 3HG2 THR 67 3.148 -12.714 -0.152 186 HG22 THR 67 1HG2 THR 67 2.623 -11.061 -0.537 187 HG23 THR 67 2HG2 THR 67 2.704 -11.604 1.149 188 H GLN 68 H GLN 68 5.855 -9.907 2.944 189 HA GLN 68 HA GLN 68 3.694 -9.846 4.685 190 HB2 GLN 68 1HB GLN 68 5.287 -9.285 6.438 191 HB3 GLN 68 2HB GLN 68 5.910 -10.525 5.362 192 HG2 GLN 68 1HG GLN 68 6.873 -8.171 4.191 193 HG3 GLN 68 2HG GLN 68 6.877 -7.753 5.887 194 HE21 GLN 68 2HE2 GLN 68 7.663 -10.807 4.056 195 HE22 GLN 68 1HE2 GLN 68 9.275 -10.944 4.676 196 H MET 69 H MET 69 5.362 -7.075 3.151 197 HA MET 69 HA MET 69 4.078 -5.121 4.841 198 HB2 MET 69 1HB MET 69 5.378 -4.910 2.094 199 HB3 MET 69 2HB MET 69 4.819 -3.532 3.044 200 HG2 MET 69 1HG MET 69 6.394 -4.068 4.835 201 HG3 MET 69 2HG MET 69 6.896 -5.528 3.988 202 HE1 MET 69 3HE MET 69 7.338 -1.670 4.334 203 HE2 MET 69 1HE MET 69 8.128 -1.225 2.808 204 HE3 MET 69 2HE MET 69 6.417 -1.665 2.809 205 H VAL 70 H VAL 70 3.336 -6.607 1.684 206 HA VAL 70 HA VAL 70 1.063 -5.056 1.102 207 HB VAL 70 HB VAL 70 1.509 -7.894 0.134 208 HG11 VAL 70 1HG1 VAL 70 -0.680 -6.873 -0.394 209 HG12 VAL 70 2HG1 VAL 70 0.181 -5.576 -1.259 210 HG13 VAL 70 3HG1 VAL 70 0.318 -7.251 -1.802 211 HG21 VAL 70 3HG2 VAL 70 3.606 -6.660 -0.267 212 HG22 VAL 70 1HG2 VAL 70 2.744 -7.018 -1.760 213 HG23 VAL 70 2HG2 VAL 70 2.680 -5.382 -1.085 214 H GLU 71 H GLU 71 1.203 -8.341 2.586 215 HA GLU 71 HA GLU 71 -1.593 -8.508 3.053 216 HB2 GLU 71 1HB GLU 71 -0.999 -10.145 4.918 217 HB3 GLU 71 2HB GLU 71 -0.483 -10.573 3.284 218 HG2 GLU 71 1HG GLU 71 1.723 -10.263 3.722 219 HG3 GLU 71 2HG GLU 71 1.435 -9.045 4.939 220 H THR 72 H THR 72 0.985 -7.063 5.130 221 HA THR 72 HA THR 72 -0.639 -6.574 7.385 222 HB THR 72 HB THR 72 1.761 -5.025 6.345 223 HG1 THR 72 1HG THR 72 2.518 -6.971 6.735 224 HG21 THR 72 3HG2 THR 72 0.793 -5.335 9.213 225 HG22 THR 72 1HG2 THR 72 0.479 -3.876 8.253 226 HG23 THR 72 2HG2 THR 72 2.145 -4.353 8.637 227 H VAL 73 H VAL 73 0.164 -4.137 4.766 228 HA VAL 73 HA VAL 73 -1.704 -2.219 5.597 229 HB VAL 73 HB VAL 73 -0.922 -2.988 2.762 230 HG11 VAL 73 1HG1 VAL 73 -1.634 -0.682 2.105 231 HG12 VAL 73 2HG1 VAL 73 -2.998 -1.656 2.641 232 HG13 VAL 73 3HG1 VAL 73 -2.303 -0.441 3.734 233 HG21 VAL 73 3HG2 VAL 73 0.071 -0.712 4.506 234 HG22 VAL 73 1HG2 VAL 73 0.955 -2.226 4.158 235 HG23 VAL 73 2HG2 VAL 73 0.576 -1.091 2.851 236 H GLN 74 H GLN 74 -2.244 -5.014 3.367 237 HA GLN 74 HA GLN 74 -4.949 -4.444 2.825 238 HB2 GLN 74 1HB GLN 74 -3.496 -6.200 1.718 239 HB3 GLN 74 2HB GLN 74 -3.767 -7.226 3.118 240 HG2 GLN 74 1HG GLN 74 -5.360 -7.986 1.595 241 HG3 GLN 74 2HG GLN 74 -6.308 -6.958 2.645 242 HE21 GLN 74 2HE2 GLN 74 -6.890 -4.675 1.761 243 HE22 GLN 74 1HE2 GLN 74 -7.001 -4.566 0.023 244 H ASN 75 H ASN 75 -3.620 -6.361 5.545 245 HA ASN 75 HA ASN 75 -6.069 -7.232 6.691 246 HB2 ASN 75 1HB ASN 75 -3.356 -6.625 7.935 247 HB3 ASN 75 2HB ASN 75 -4.727 -7.192 8.866 248 HD21 ASN 75 2HD2 ASN 75 -1.952 -8.381 7.446 249 HD22 ASN 75 1HD2 ASN 75 -2.545 -10.010 7.253 250 H LEU 76 H LEU 76 -4.218 -4.219 7.078 251 HA LEU 76 HA LEU 76 -6.139 -3.223 9.086 252 HB2 LEU 76 1HB LEU 76 -3.778 -1.788 7.832 253 HB3 LEU 76 2HB LEU 76 -4.676 -1.330 9.272 254 HG LEU 76 HG LEU 76 -2.675 -3.572 8.918 255 HD11 LEU 76 1HD1 LEU 76 -2.934 -1.200 10.803 256 HD12 LEU 76 2HD1 LEU 76 -1.779 -1.438 9.462 257 HD13 LEU 76 3HD1 LEU 76 -1.671 -2.434 10.900 258 HD21 LEU 76 3HD2 LEU 76 -4.403 -4.735 10.116 259 HD22 LEU 76 1HD2 LEU 76 -4.623 -3.373 11.246 260 HD23 LEU 76 2HD2 LEU 76 -3.126 -4.322 11.235 261 H ALA 77 H ALA 77 -5.733 -2.963 5.628 262 HA ALA 77 HA ALA 77 -7.834 -0.866 5.452 263 HB1 ALA 77 3HB ALA 77 -6.656 0.034 3.490 264 HB2 ALA 77 1HB ALA 77 -5.645 0.161 4.934 265 HB3 ALA 77 2HB ALA 77 -5.329 -1.109 3.738 266 HA PRO 78 HA PRO 78 -8.895 -4.839 3.279 267 HB2 PRO 78 2HB PRO 78 -11.555 -4.963 4.029 268 HB3 PRO 78 3HB PRO 78 -10.200 -5.615 4.994 269 HG2 PRO 78 2HG PRO 78 -11.605 -2.956 5.317 270 HG3 PRO 78 3HG PRO 78 -11.132 -4.146 6.578 271 HD2 PRO 78 2HD PRO 78 -9.625 -1.933 6.042 272 HD3 PRO 78 3HD PRO 78 -8.880 -3.500 6.497 273 H ASN 79 H ASN 79 -10.148 -1.570 3.156 274 HA ASN 79 HA ASN 79 -11.890 -2.032 0.878 275 HB2 ASN 79 1HB ASN 79 -11.917 -0.129 2.743 276 HB3 ASN 79 2HB ASN 79 -10.897 0.697 1.585 277 HD21 ASN 79 2HD2 ASN 79 -11.910 0.238 -0.859 278 HD22 ASN 79 1HD2 ASN 79 -13.582 0.689 -1.005 279 H LEU 80 H LEU 80 -8.442 -1.598 1.201 280 HA LEU 80 HA LEU 80 -8.160 -0.352 -1.417 281 HB2 LEU 80 1HB LEU 80 -6.205 -1.465 0.630 282 HB3 LEU 80 2HB LEU 80 -5.673 -0.885 -0.931 283 HG LEU 80 HG LEU 80 -7.148 0.786 1.146 284 HD11 LEU 80 1HD1 LEU 80 -4.244 0.891 0.231 285 HD12 LEU 80 2HD1 LEU 80 -4.813 0.192 1.753 286 HD13 LEU 80 3HD1 LEU 80 -5.008 1.924 1.445 287 HD21 LEU 80 3HD2 LEU 80 -6.068 1.549 -1.614 288 HD22 LEU 80 1HD2 LEU 80 -6.451 2.726 -0.342 289 HD23 LEU 80 2HD2 LEU 80 -7.726 1.718 -1.001 290 H HIS 81 H HIS 81 -7.019 -1.201 -3.191 291 HA HIS 81 HA HIS 81 -7.810 -3.843 -3.914 292 HB2 HIS 81 1HB HIS 81 -7.614 -1.777 -5.393 293 HB3 HIS 81 2HB HIS 81 -5.868 -1.987 -5.306 294 HD2 HIS 81 HD2 HIS 81 -9.027 -3.333 -6.918 295 HE1 HIS 81 HE1 HIS 81 -5.822 -5.629 -8.531 296 HE2 HIS 81 HE2 HIS 81 -8.322 -5.048 -8.765 297 HA PRO 82 HA PRO 82 -4.166 -5.887 -2.436 298 HB2 PRO 82 2HB PRO 82 -4.032 -8.094 -4.129 299 HB3 PRO 82 3HB PRO 82 -5.170 -7.913 -2.762 300 HG2 PRO 82 2HG PRO 82 -5.649 -7.406 -5.693 301 HG3 PRO 82 3HG PRO 82 -6.714 -8.231 -4.502 302 HD2 PRO 82 2HD PRO 82 -7.024 -5.630 -5.267 303 HD3 PRO 82 3HD PRO 82 -7.462 -6.167 -3.636 304 H GLU 83 H GLU 83 -4.268 -4.953 -5.884 305 HA GLU 83 HA GLU 83 -1.402 -5.407 -6.197 306 HB2 GLU 83 1HB GLU 83 -3.723 -5.011 -7.897 307 HB3 GLU 83 2HB GLU 83 -2.445 -3.916 -8.407 308 HG2 GLU 83 1HG GLU 83 -1.589 -6.717 -7.838 309 HG3 GLU 83 2HG GLU 83 -2.771 -6.542 -9.155 310 H GLN 84 H GLN 84 -3.603 -2.607 -5.833 311 HA GLN 84 HA GLN 84 -1.701 -0.558 -6.323 312 HB2 GLN 84 1HB GLN 84 -4.028 -0.659 -4.394 313 HB3 GLN 84 2HB GLN 84 -3.170 0.818 -4.804 314 HG2 GLN 84 1HG GLN 84 -3.861 0.698 -7.113 315 HG3 GLN 84 2HG GLN 84 -4.666 -0.849 -6.850 316 HE21 GLN 84 2HE2 GLN 84 -4.712 2.605 -5.535 317 HE22 GLN 84 1HE2 GLN 84 -6.441 2.505 -5.229 318 H ILE 85 H ILE 85 -2.295 -2.519 -3.395 319 HA ILE 85 HA ILE 85 -0.982 -0.914 -1.523 320 HB ILE 85 HB ILE 85 -1.354 -3.920 -1.683 321 HG12 ILE 85 1HG1 ILE 85 -2.616 -1.842 0.153 322 HG13 ILE 85 2HG1 ILE 85 -3.341 -2.309 -1.359 323 HG21 ILE 85 1HG2 ILE 85 -0.721 -3.923 0.740 324 HG22 ILE 85 2HG2 ILE 85 0.621 -3.488 -0.294 325 HG23 ILE 85 3HG2 ILE 85 -0.228 -2.216 0.603 326 HD11 ILE 85 3HD1 ILE 85 -3.424 -4.685 -0.613 327 HD12 ILE 85 1HD1 ILE 85 -2.860 -4.154 0.985 328 HD13 ILE 85 2HD1 ILE 85 -4.407 -3.567 0.361 329 H ARG 86 H ARG 86 0.517 -3.684 -3.375 330 HA ARG 86 HA ARG 86 3.133 -3.235 -2.487 331 HB2 ARG 86 1HB ARG 86 2.714 -5.161 -3.688 332 HB3 ARG 86 2HB ARG 86 2.022 -4.292 -5.060 333 HG2 ARG 86 1HG ARG 86 4.930 -3.893 -4.394 334 HG3 ARG 86 2HG ARG 86 4.423 -5.392 -5.176 335 HD2 ARG 86 1HD ARG 86 3.907 -4.408 -7.172 336 HD3 ARG 86 2HD ARG 86 3.308 -2.939 -6.443 337 HE ARG 86 HE ARG 86 5.350 -1.964 -6.462 338 HH11 ARG 86 1HH1 ARG 86 5.619 -5.396 -7.477 339 HH12 ARG 86 2HH1 ARG 86 7.241 -5.300 -8.005 340 HH21 ARG 86 1HH2 ARG 86 7.628 -1.833 -7.386 341 HH22 ARG 86 2HH2 ARG 86 8.350 -3.256 -8.019 342 H TYR 87 H TYR 87 1.520 -1.409 -5.149 343 HA TYR 87 HA TYR 87 3.891 0.010 -5.896 344 HB2 TYR 87 2HB TYR 87 1.793 -0.176 -7.245 345 HB3 TYR 87 3HB TYR 87 0.957 0.845 -6.103 346 HD1 TYR 87 2HD TYR 87 4.351 1.089 -7.790 347 HD2 TYR 87 1HD TYR 87 0.512 2.945 -7.044 348 HE1 TYR 87 2HE TYR 87 5.110 3.127 -8.914 349 HE2 TYR 87 1HE TYR 87 1.276 4.962 -8.251 350 HH TYR 87 HH TYR 87 3.056 6.079 -9.062 351 H SER 88 H SER 88 1.327 0.642 -3.618 352 HA SER 88 HA SER 88 2.084 3.286 -2.824 353 HB2 SER 88 1HB SER 88 -0.090 1.865 -2.224 354 HB3 SER 88 2HB SER 88 0.851 1.395 -0.804 355 HG SER 88 HG SER 88 0.188 3.989 -1.742 356 H LEU 89 H LEU 89 2.782 0.108 -1.365 357 HA LEU 89 HA LEU 89 4.536 0.932 0.682 358 HB2 LEU 89 1HB LEU 89 4.541 -1.603 -0.994 359 HB3 LEU 89 2HB LEU 89 5.420 -1.381 0.526 360 HG LEU 89 HG LEU 89 2.393 -1.104 0.344 361 HD11 LEU 89 1HD1 LEU 89 2.887 -3.288 -0.378 362 HD12 LEU 89 2HD1 LEU 89 2.411 -3.391 1.317 363 HD13 LEU 89 3HD1 LEU 89 4.129 -3.527 0.847 364 HD21 LEU 89 3HD2 LEU 89 4.373 -1.281 2.624 365 HD22 LEU 89 1HD2 LEU 89 2.667 -1.676 2.802 366 HD23 LEU 89 2HD2 LEU 89 3.149 -0.051 2.290 367 H GLU 90 H GLU 90 5.247 0.393 -2.855 368 HA GLU 90 HA GLU 90 8.128 0.593 -2.353 369 HB2 GLU 90 1HB GLU 90 6.368 0.623 -4.836 370 HB3 GLU 90 2HB GLU 90 8.002 1.255 -4.891 371 HG2 GLU 90 1HG GLU 90 8.545 -1.138 -3.728 372 HG3 GLU 90 2HG GLU 90 7.127 -1.563 -4.694 373 H ASN 91 H ASN 91 5.479 2.849 -2.937 374 HA ASN 91 HA ASN 91 7.262 5.102 -3.522 375 HB2 ASN 91 1HB ASN 91 4.275 4.841 -3.059 376 HB3 ASN 91 2HB ASN 91 5.067 6.410 -3.008 377 HD21 ASN 91 2HD2 ASN 91 4.304 3.687 -5.112 378 HD22 ASN 91 1HD2 ASN 91 4.766 4.470 -6.600 379 H THR 92 H THR 92 5.342 4.094 -0.641 380 HA THR 92 HA THR 92 6.354 6.270 0.965 381 HB THR 92 HB THR 92 4.912 5.329 2.652 382 HG1 THR 92 1HG THR 92 4.216 3.250 2.568 383 HG21 THR 92 3HG2 THR 92 2.764 5.162 1.611 384 HG22 THR 92 1HG2 THR 92 3.465 4.979 0.006 385 HG23 THR 92 2HG2 THR 92 3.693 6.494 0.898 386 H GLY 93 H GLY 93 7.011 2.774 0.673 387 HA2 GLY 93 1HA GLY 93 8.902 1.588 1.067 388 HA3 GLY 93 2HA GLY 93 9.680 2.986 1.794 389 H SER 94 H SER 94 6.795 2.940 3.342 390 HA SER 94 HA SER 94 7.421 0.848 5.320 391 HB2 SER 94 1HB SER 94 6.809 3.767 5.923 392 HB3 SER 94 2HB SER 94 7.067 2.473 7.107 393 HG SER 94 HG SER 94 9.118 2.631 6.891 394 H VAL 95 H VAL 95 5.684 -0.221 5.993 395 HA VAL 95 HA VAL 95 3.124 -0.014 4.794 396 HB VAL 95 HB VAL 95 4.069 -1.347 7.377 397 HG11 VAL 95 1HG1 VAL 95 1.916 -2.804 6.758 398 HG12 VAL 95 2HG1 VAL 95 1.871 -1.434 7.883 399 HG13 VAL 95 3HG1 VAL 95 1.337 -1.225 6.223 400 HG21 VAL 95 3HG2 VAL 95 3.460 -2.606 4.713 401 HG22 VAL 95 1HG2 VAL 95 5.100 -2.157 5.258 402 HG23 VAL 95 2HG2 VAL 95 4.179 -3.361 6.157 403 H GLU 96 H GLU 96 4.350 1.092 7.962 404 HA GLU 96 HA GLU 96 1.996 2.023 9.080 405 HB2 GLU 96 1HB GLU 96 3.427 3.307 10.535 406 HB3 GLU 96 2HB GLU 96 4.228 1.784 10.119 407 HG2 GLU 96 1HG GLU 96 5.416 3.214 8.249 408 HG3 GLU 96 2HG GLU 96 4.932 4.593 9.241 409 H GLU 97 H GLU 97 4.239 3.816 6.922 410 HA GLU 97 HA GLU 97 2.792 6.245 6.913 411 HB2 GLU 97 1HB GLU 97 5.162 5.916 6.147 412 HB3 GLU 97 2HB GLU 97 4.564 5.036 4.748 413 HG2 GLU 97 1HG GLU 97 5.052 7.277 4.067 414 HG3 GLU 97 2HG GLU 97 3.306 7.075 4.006 415 H THR 98 H THR 98 2.578 3.328 4.796 416 HA THR 98 HA THR 98 0.679 4.333 2.974 417 HB THR 98 HB THR 98 1.098 1.480 3.937 418 HG1 THR 98 1HG THR 98 2.239 2.789 1.694 419 HG21 THR 98 3HG2 THR 98 -0.054 2.599 1.379 420 HG22 THR 98 1HG2 THR 98 -0.915 1.640 2.599 421 HG23 THR 98 2HG2 THR 98 0.371 0.892 1.630 422 H VAL 99 H VAL 99 0.301 2.938 6.190 423 HA VAL 99 HA VAL 99 -2.601 2.796 6.055 424 HB VAL 99 HB VAL 99 -0.516 2.459 8.241 425 HG11 VAL 99 1HG1 VAL 99 -2.432 3.296 9.438 426 HG12 VAL 99 2HG1 VAL 99 -3.521 2.251 8.525 427 HG13 VAL 99 3HG1 VAL 99 -2.356 1.544 9.671 428 HG21 VAL 99 3HG2 VAL 99 -2.445 0.459 6.984 429 HG22 VAL 99 1HG2 VAL 99 -0.766 0.689 6.452 430 HG23 VAL 99 2HG2 VAL 99 -1.082 0.133 8.085 431 H GLU 100 H GLU 100 -0.222 5.104 7.396 432 HA GLU 100 HA GLU 100 -2.053 6.849 8.709 433 HB2 GLU 100 1HB GLU 100 0.721 7.318 7.561 434 HB3 GLU 100 2HB GLU 100 -0.136 8.514 8.516 435 HG2 GLU 100 1HG GLU 100 0.562 5.746 9.577 436 HG3 GLU 100 2HG GLU 100 1.609 7.147 9.742 437 H ARG 101 H ARG 101 -0.985 6.670 5.372 438 HA ARG 101 HA ARG 101 -2.314 9.196 4.697 439 HB2 ARG 101 1HB ARG 101 -1.518 8.790 2.416 440 HB3 ARG 101 2HB ARG 101 -0.211 8.669 3.609 441 HG2 ARG 101 1HG ARG 101 -0.658 6.136 3.556 442 HG3 ARG 101 2HG ARG 101 -1.638 6.419 2.174 443 HD2 ARG 101 1HD ARG 101 1.328 6.917 2.514 444 HD3 ARG 101 2HD ARG 101 0.564 5.726 1.448 445 HE ARG 101 HE ARG 101 0.689 8.622 1.126 446 HH11 ARG 101 1HH1 ARG 101 -0.166 5.490 -0.319 447 HH12 ARG 101 2HH1 ARG 101 -0.764 6.160 -1.794 448 HH21 ARG 101 1HH2 ARG 101 -0.527 9.521 -0.831 449 HH22 ARG 101 2HH2 ARG 101 -0.961 8.393 -2.043 450 H TYR 102 H TYR 102 -2.878 5.710 4.260 451 HA TYR 102 HA TYR 102 -5.157 5.789 2.598 452 HB2 TYR 102 2HB TYR 102 -4.428 3.698 2.902 453 HB3 TYR 102 3HB TYR 102 -4.074 3.885 4.618 454 HD1 TYR 102 1HD TYR 102 -6.926 3.528 2.206 455 HD2 TYR 102 2HD TYR 102 -5.560 3.157 6.277 456 HE1 TYR 102 1HE TYR 102 -8.950 2.185 2.773 457 HE2 TYR 102 2HE TYR 102 -7.564 1.879 6.858 458 HH TYR 102 HH TYR 102 -9.861 1.342 6.046 459 H LEU 103 H LEU 103 -5.123 5.710 6.185 460 HA LEU 103 HA LEU 103 -7.876 6.093 6.571 461 HB2 LEU 103 1HB LEU 103 -7.305 6.650 8.837 462 HB3 LEU 103 2HB LEU 103 -6.339 5.299 8.252 463 HG LEU 103 HG LEU 103 -4.486 7.070 7.830 464 HD11 LEU 103 1HD1 LEU 103 -5.568 9.188 8.254 465 HD12 LEU 103 2HD1 LEU 103 -4.535 8.882 9.622 466 HD13 LEU 103 3HD1 LEU 103 -6.272 8.580 9.764 467 HD21 LEU 103 3HD2 LEU 103 -5.353 6.177 10.594 468 HD22 LEU 103 1HD2 LEU 103 -3.729 6.772 10.188 469 HD23 LEU 103 2HD2 LEU 103 -4.337 5.272 9.450 470 H ARG 104 H ARG 104 -5.686 8.365 5.408 471 HA ARG 104 HA ARG 104 -7.207 10.762 6.278 472 HB2 ARG 104 1HB ARG 104 -5.158 11.588 6.418 473 HB3 ARG 104 2HB ARG 104 -4.453 10.130 5.760 474 HG2 ARG 104 1HG ARG 104 -4.946 11.147 3.421 475 HG3 ARG 104 2HG ARG 104 -5.198 12.662 4.314 476 HD2 ARG 104 1HD ARG 104 -2.851 11.866 5.428 477 HD3 ARG 104 2HD ARG 104 -2.718 11.019 3.876 478 HE ARG 104 HE ARG 104 -3.461 13.729 3.459 479 HH11 ARG 104 1HH1 ARG 104 -0.545 11.738 4.359 480 HH12 ARG 104 2HH1 ARG 104 0.516 12.999 3.926 481 HH21 ARG 104 1HH2 ARG 104 -1.932 15.288 2.830 482 HH22 ARG 104 2HH2 ARG 104 -0.278 14.791 2.619 483 H GLY 105 H GLY 105 -7.234 8.429 3.762 484 HA2 GLY 105 1HA GLY 105 -8.612 8.395 1.913 485 HA3 GLY 105 2HA GLY 105 -9.087 10.071 2.232 486 H ASP 106 H ASP 106 -5.647 9.150 2.025 487 HA ASP 106 HA ASP 106 -5.214 11.131 0.003 488 HB2 ASP 106 1HB ASP 106 -3.577 10.065 1.842 489 HB3 ASP 106 2HB ASP 106 -3.144 9.034 0.459 490 H GLU 107 H GLU 107 -3.563 10.351 -1.904 491 HA GLU 107 HA GLU 107 -5.242 8.778 -3.730 492 HB2 GLU 107 1HB GLU 107 -3.853 9.701 -5.424 493 HB3 GLU 107 2HB GLU 107 -4.304 10.981 -4.276 494 HG2 GLU 107 1HG GLU 107 -2.078 10.889 -3.252 495 HG3 GLU 107 2HG GLU 107 -1.603 9.569 -4.326 496 H PHE 108 H PHE 108 -4.974 6.854 -4.524 497 HA PHE 108 HA PHE 108 -2.409 5.441 -4.059 498 HB2 PHE 108 2HB PHE 108 -5.227 4.501 -3.403 499 HB3 PHE 108 3HB PHE 108 -3.910 3.392 -3.728 500 HD1 PHE 108 2HD PHE 108 -4.764 6.289 -1.457 501 HD2 PHE 108 1HD PHE 108 -2.559 2.627 -2.009 502 HE1 PHE 108 2HE PHE 108 -3.990 6.412 0.864 503 HE2 PHE 108 1HE PHE 108 -1.965 2.634 0.373 504 HZ PHE 108 HZ PHE 108 -2.614 4.558 1.820 505 H SER 109 H SER 109 -1.677 5.179 -6.049 506 HA SER 109 HA SER 109 -3.597 4.587 -8.261 507 HB2 SER 109 1HB SER 109 -1.582 6.381 -8.268 508 HB3 SER 109 2HB SER 109 -0.715 4.963 -8.873 509 HG SER 109 HG SER 109 -1.823 6.318 -10.465 510 H PHE 110 H PHE 110 -2.345 3.034 -9.985 511 HA PHE 110 HA PHE 110 -1.887 0.483 -8.525 512 HB2 PHE 110 2HB PHE 110 -2.961 1.221 -11.248 513 HB3 PHE 110 3HB PHE 110 -2.246 -0.341 -11.029 514 HD1 PHE 110 1HD PHE 110 -4.883 1.923 -9.583 515 HD2 PHE 110 2HD PHE 110 -3.504 -2.157 -10.115 516 HE1 PHE 110 1HE PHE 110 -7.044 1.066 -8.762 517 HE2 PHE 110 2HE PHE 110 -5.666 -2.968 -9.361 518 HZ PHE 110 HZ PHE 110 -7.455 -1.399 -8.669 519 HA PRO 111 HA PRO 111 2.318 0.280 -9.851 520 HB2 PRO 111 2HB PRO 111 2.652 -2.413 -10.399 521 HB3 PRO 111 3HB PRO 111 2.488 -1.775 -8.732 522 HG2 PRO 111 2HG PRO 111 0.404 -2.995 -10.546 523 HG3 PRO 111 3HG PRO 111 0.687 -3.353 -8.810 524 HD2 PRO 111 2HD PRO 111 -1.268 -1.686 -9.645 525 HD3 PRO 111 3HD PRO 111 -0.367 -1.327 -8.154 526 HA PRO 112 HA PRO 112 2.440 0.318 -14.287 527 HB2 PRO 112 2HB PRO 112 4.982 -0.468 -14.930 528 HB3 PRO 112 3HB PRO 112 4.636 1.113 -14.150 529 HG2 PRO 112 2HG PRO 112 5.528 -1.484 -12.860 530 HG3 PRO 112 3HG PRO 112 6.189 0.162 -12.608 531 HD2 PRO 112 2HD PRO 112 4.364 -0.944 -10.906 532 HD3 PRO 112 3HD PRO 112 4.310 0.797 -11.297 533 H GLY 113 H GLY 113 2.234 -1.109 -16.096 534 HA2 GLY 113 1HA GLY 113 2.331 -3.219 -17.175 535 HA3 GLY 113 2HA GLY 113 2.705 -4.013 -15.649 536 H PHE 114 H PHE 114 0.385 -2.130 -14.491 537 HA PHE 114 HA PHE 114 -1.650 -4.154 -14.636 538 HB2 PHE 114 2HB PHE 114 -1.238 -2.765 -12.637 539 HB3 PHE 114 3HB PHE 114 -1.702 -1.316 -13.531 540 HD1 PHE 114 2HD PHE 114 -2.971 -4.715 -12.529 541 HD2 PHE 114 1HD PHE 114 -3.971 -0.616 -13.449 542 HE1 PHE 114 2HE PHE 114 -5.330 -5.163 -11.926 543 HE2 PHE 114 1HE PHE 114 -6.332 -1.071 -12.780 544 HZ PHE 114 HZ PHE 114 -7.009 -3.332 -12.049 545 H GLU 115 H GLU 115 -1.210 -0.891 -16.053 546 HA GLU 115 HA GLU 115 -3.736 -0.764 -17.408 547 HB2 GLU 115 1HB GLU 115 -1.104 0.683 -17.932 548 HB3 GLU 115 2HB GLU 115 -2.599 1.010 -18.778 549 HG2 GLU 115 1HG GLU 115 -2.329 2.659 -17.101 550 HG3 GLU 115 2HG GLU 115 -3.727 1.654 -16.696 Start of MODEL 4 1 H1 GLY 41 H GLY 41 -16.559 19.139 -11.975 2 HA2 GLY 41 1HA GLY 41 -14.685 18.102 -10.671 3 HA3 GLY 41 2HA GLY 41 -16.237 17.238 -10.558 4 H ALA 42 H ALA 42 -14.801 15.395 -10.001 5 HA ALA 42 HA ALA 42 -13.063 14.254 -11.998 6 HB1 ALA 42 3HB ALA 42 -12.917 12.370 -10.535 7 HB2 ALA 42 1HB ALA 42 -13.003 13.772 -9.467 8 HB3 ALA 42 2HB ALA 42 -14.437 12.757 -9.724 9 H MET 43 H MET 43 -13.520 12.290 -13.231 10 HA MET 43 HA MET 43 -16.419 11.804 -13.770 11 HB2 MET 43 1HB MET 43 -15.916 11.705 -16.117 12 HB3 MET 43 2HB MET 43 -15.245 13.207 -15.484 13 HG2 MET 43 1HG MET 43 -13.022 11.837 -15.224 14 HG3 MET 43 2HG MET 43 -13.790 10.651 -16.252 15 HE1 MET 43 3HE MET 43 -12.432 14.143 -15.762 16 HE2 MET 43 1HE MET 43 -12.277 14.834 -17.381 17 HE3 MET 43 2HE MET 43 -13.876 14.739 -16.606 18 H GLY 44 H GLY 44 -16.663 9.679 -15.101 19 HA2 GLY 44 1HA GLY 44 -15.339 7.528 -13.598 20 HA3 GLY 44 2HA GLY 44 -16.691 7.375 -14.741 21 HA PRO 45 HA PRO 45 -12.454 6.525 -16.768 22 HB2 PRO 45 2HB PRO 45 -12.443 3.778 -16.978 23 HB3 PRO 45 3HB PRO 45 -11.819 4.671 -15.560 24 HG2 PRO 45 2HG PRO 45 -14.576 3.447 -15.920 25 HG3 PRO 45 3HG PRO 45 -13.449 3.245 -14.540 26 HD2 PRO 45 2HD PRO 45 -15.469 5.064 -14.464 27 HD3 PRO 45 3HD PRO 45 -13.870 5.462 -13.769 28 H GLN 46 H GLN 46 -12.092 5.600 -18.927 29 HA GLN 46 HA GLN 46 -14.597 5.503 -20.545 30 HB2 GLN 46 1HB GLN 46 -11.864 6.534 -21.335 31 HB3 GLN 46 2HB GLN 46 -13.310 6.496 -22.358 32 HG2 GLN 46 1HG GLN 46 -14.506 7.953 -20.766 33 HG3 GLN 46 2HG GLN 46 -13.083 8.030 -19.720 34 HE21 GLN 46 2HE2 GLN 46 -14.096 10.332 -20.349 35 HE22 GLN 46 1HE2 GLN 46 -13.154 11.187 -21.564 36 H GLY 47 H GLY 47 -12.097 3.533 -19.373 37 HA2 GLY 47 1HA GLY 47 -12.847 1.185 -20.311 38 HA3 GLY 47 2HA GLY 47 -11.954 1.793 -21.721 39 H SER 48 H SER 48 -11.017 -0.401 -20.616 40 HA SER 48 HA SER 48 -8.499 0.437 -19.267 41 HB2 SER 48 1HB SER 48 -10.227 -1.988 -18.615 42 HB3 SER 48 2HB SER 48 -8.599 -1.697 -17.975 43 HG SER 48 HG SER 48 -9.280 0.178 -17.054 44 H THR 49 H THR 49 -8.870 0.250 -22.076 45 HA THR 49 HA THR 49 -7.821 -2.359 -22.885 46 HB THR 49 HB THR 49 -9.235 -0.612 -24.249 47 HG1 THR 49 1HG THR 49 -8.180 -1.376 -26.164 48 HG21 THR 49 3HG2 THR 49 -7.990 0.866 -25.688 49 HG22 THR 49 1HG2 THR 49 -6.434 0.381 -24.949 50 HG23 THR 49 2HG2 THR 49 -7.639 1.273 -24.006 51 H GLN 50 H GLN 50 -5.489 -2.743 -23.314 52 HA GLN 50 HA GLN 50 -3.631 -0.581 -22.563 53 HB2 GLN 50 1HB GLN 50 -2.511 -2.130 -20.927 54 HB3 GLN 50 2HB GLN 50 -4.102 -1.570 -20.453 55 HG2 GLN 50 1HG GLN 50 -3.987 -3.812 -19.816 56 HG3 GLN 50 2HG GLN 50 -5.060 -3.775 -21.186 57 HE21 GLN 50 2HE2 GLN 50 -4.592 -6.037 -20.765 58 HE22 GLN 50 1HE2 GLN 50 -3.286 -6.841 -21.643 59 H ASN 51 H ASN 51 -1.420 -1.303 -22.736 60 HA ASN 51 HA ASN 51 -0.827 -3.525 -24.567 61 HB2 ASN 51 1HB ASN 51 0.479 -2.119 -26.103 62 HB3 ASN 51 2HB ASN 51 -1.248 -1.791 -26.174 63 HD21 ASN 51 2HD2 ASN 51 -1.664 0.415 -26.399 64 HD22 ASN 51 1HD2 ASN 51 -0.786 1.654 -25.577 65 H ALA 52 H ALA 52 0.071 -1.430 -21.941 66 HA ALA 52 HA ALA 52 2.917 -2.238 -22.025 67 HB1 ALA 52 3HB ALA 52 2.502 0.110 -21.642 68 HB2 ALA 52 1HB ALA 52 1.301 -0.284 -20.372 69 HB3 ALA 52 2HB ALA 52 3.004 -0.623 -20.096 70 H LEU 53 H LEU 53 2.337 -4.555 -21.537 71 HA LEU 53 HA LEU 53 1.345 -4.897 -18.792 72 HB2 LEU 53 1HB LEU 53 0.691 -6.349 -20.980 73 HB3 LEU 53 2HB LEU 53 2.039 -7.316 -20.361 74 HG LEU 53 HG LEU 53 0.905 -7.041 -18.035 75 HD11 LEU 53 1HD1 LEU 53 -1.470 -6.351 -19.800 76 HD12 LEU 53 2HD1 LEU 53 -0.678 -5.217 -18.703 77 HD13 LEU 53 3HD1 LEU 53 -1.496 -6.635 -18.044 78 HD21 LEU 53 3HD2 LEU 53 -0.502 -8.708 -20.131 79 HD22 LEU 53 1HD2 LEU 53 -0.605 -8.924 -18.371 80 HD23 LEU 53 2HD2 LEU 53 0.947 -9.160 -19.188 81 H ARG 54 H ARG 54 2.691 -4.599 -17.298 82 HA ARG 54 HA ARG 54 4.596 -4.555 -15.997 83 HB2 ARG 54 1HB ARG 54 4.613 -7.406 -17.041 84 HB3 ARG 54 2HB ARG 54 5.669 -6.828 -15.756 85 HG2 ARG 54 1HG ARG 54 3.952 -7.857 -14.622 86 HG3 ARG 54 2HG ARG 54 3.564 -6.140 -14.468 87 HD2 ARG 54 1HD ARG 54 1.829 -6.332 -16.144 88 HD3 ARG 54 2HD ARG 54 2.356 -7.965 -16.595 89 HE ARG 54 HE ARG 54 0.692 -7.125 -14.325 90 HH11 ARG 54 1HH1 ARG 54 2.614 -9.816 -15.643 91 HH12 ARG 54 2HH1 ARG 54 1.751 -11.006 -14.729 92 HH21 ARG 54 1HH2 ARG 54 -0.430 -8.647 -13.212 93 HH22 ARG 54 2HH2 ARG 54 -0.076 -10.345 -13.329 94 H ARG 55 H ARG 55 4.980 -3.404 -18.556 95 HA ARG 55 HA ARG 55 7.354 -4.155 -19.871 96 HB2 ARG 55 1HB ARG 55 7.346 -1.873 -20.785 97 HB3 ARG 55 2HB ARG 55 5.721 -2.546 -20.791 98 HG2 ARG 55 1HG ARG 55 5.132 -1.249 -18.781 99 HG3 ARG 55 2HG ARG 55 6.767 -0.593 -18.672 100 HD2 ARG 55 1HD ARG 55 5.021 -0.220 -21.129 101 HD3 ARG 55 2HD ARG 55 4.933 0.864 -19.738 102 HE ARG 55 HE ARG 55 7.359 1.303 -20.049 103 HH11 ARG 55 1HH1 ARG 55 5.511 0.284 -22.892 104 HH12 ARG 55 2HH1 ARG 55 6.170 1.463 -23.954 105 HH21 ARG 55 1HH2 ARG 55 8.510 2.610 -21.465 106 HH22 ARG 55 2HH2 ARG 55 8.138 2.628 -23.163 107 H THR 56 H THR 56 9.438 -2.764 -19.949 108 HA THR 56 HA THR 56 10.571 -2.727 -17.296 109 HB THR 56 HB THR 56 12.543 -1.856 -18.824 110 HG1 THR 56 1HG THR 56 11.917 -1.524 -20.734 111 HG21 THR 56 3HG2 THR 56 13.065 -4.169 -19.471 112 HG22 THR 56 1HG2 THR 56 11.386 -4.661 -19.168 113 HG23 THR 56 2HG2 THR 56 12.424 -4.120 -17.827 114 H GLY 57 H GLY 57 10.978 -0.936 -16.035 115 HA2 GLY 57 1HA GLY 57 10.450 1.788 -17.025 116 HA3 GLY 57 2HA GLY 57 9.489 1.164 -15.669 117 H ARG 58 H ARG 58 10.476 2.870 -14.355 118 HA ARG 58 HA ARG 58 13.380 2.863 -13.914 119 HB2 ARG 58 1HB ARG 58 11.045 4.381 -12.689 120 HB3 ARG 58 2HB ARG 58 12.650 4.413 -11.966 121 HG2 ARG 58 1HG ARG 58 12.379 6.343 -13.324 122 HG3 ARG 58 2HG ARG 58 13.651 5.306 -13.982 123 HD2 ARG 58 1HD ARG 58 12.330 4.679 -15.862 124 HD3 ARG 58 2HD ARG 58 10.829 5.156 -15.071 125 HE ARG 58 HE ARG 58 11.047 7.244 -15.819 126 HH11 ARG 58 1HH1 ARG 58 14.263 5.746 -16.228 127 HH12 ARG 58 2HH1 ARG 58 15.032 7.259 -16.620 128 HH21 ARG 58 1HH2 ARG 58 12.042 9.146 -16.560 129 HH22 ARG 58 2HH2 ARG 58 13.716 9.194 -16.987 130 H VAL 59 H VAL 59 13.465 0.583 -13.510 131 HA VAL 59 HA VAL 59 12.297 -0.670 -11.258 132 HB VAL 59 HB VAL 59 13.306 -1.902 -13.101 133 HG11 VAL 59 1HG1 VAL 59 15.724 -2.155 -13.404 134 HG12 VAL 59 2HG1 VAL 59 15.249 -0.478 -13.654 135 HG13 VAL 59 3HG1 VAL 59 16.038 -0.954 -12.137 136 HG21 VAL 59 3HG2 VAL 59 13.098 -3.026 -10.933 137 HG22 VAL 59 1HG2 VAL 59 14.504 -3.620 -11.821 138 HG23 VAL 59 2HG2 VAL 59 14.738 -2.509 -10.483 139 H ASN 60 H ASN 60 13.109 -0.983 -9.118 140 HA ASN 60 HA ASN 60 13.912 -0.313 -7.153 141 HB2 ASN 60 1HB ASN 60 16.486 0.321 -8.632 142 HB3 ASN 60 2HB ASN 60 16.312 0.091 -6.898 143 HD21 ASN 60 2HD2 ASN 60 15.068 -2.162 -6.332 144 HD22 ASN 60 1HD2 ASN 60 15.455 -3.496 -7.393 145 H GLY 61 H GLY 61 12.984 1.972 -9.247 146 HA2 GLY 61 1HA GLY 61 14.000 4.354 -7.973 147 HA3 GLY 61 2HA GLY 61 12.704 4.217 -9.178 148 H GLY 62 H GLY 62 12.808 2.492 -6.126 149 HA2 GLY 62 1HA GLY 62 10.869 4.145 -4.744 150 HA3 GLY 62 2HA GLY 62 10.308 2.515 -5.195 151 H HIS 63 H HIS 63 10.413 1.464 -3.228 152 HA HIS 63 HA HIS 63 13.041 1.228 -1.888 153 HB2 HIS 63 1HB HIS 63 10.273 1.625 -0.684 154 HB3 HIS 63 2HB HIS 63 11.662 1.046 0.249 155 HD1 HIS 63 HD1 HIS 63 13.957 2.836 -0.076 156 HD2 HIS 63 HD2 HIS 63 10.015 4.243 -0.698 157 HE1 HIS 63 HE1 HIS 63 14.092 5.350 -0.123 158 HA PRO 64 HA PRO 64 12.180 -3.049 -2.661 159 HB2 PRO 64 2HB PRO 64 13.631 -4.313 -0.697 160 HB3 PRO 64 3HB PRO 64 14.390 -3.496 -2.098 161 HG2 PRO 64 2HG PRO 64 14.052 -2.467 0.723 162 HG3 PRO 64 3HG PRO 64 15.474 -2.325 -0.354 163 HD2 PRO 64 2HD PRO 64 13.632 -0.307 0.000 164 HD3 PRO 64 3HD PRO 64 14.522 -0.552 -1.527 165 H VAL 65 H VAL 65 10.291 -4.090 -2.200 166 HA VAL 65 HA VAL 65 9.397 -4.176 0.645 167 HB VAL 65 HB VAL 65 7.128 -3.822 0.081 168 HG11 VAL 65 1HG1 VAL 65 8.446 -1.764 0.396 169 HG12 VAL 65 2HG1 VAL 65 8.779 -1.702 -1.345 170 HG13 VAL 65 3HG1 VAL 65 7.133 -1.546 -0.777 171 HG21 VAL 65 3HG2 VAL 65 7.927 -3.600 -2.831 172 HG22 VAL 65 1HG2 VAL 65 6.978 -4.924 -2.086 173 HG23 VAL 65 2HG2 VAL 65 6.309 -3.293 -2.152 174 H THR 66 H THR 66 8.032 -5.915 1.234 175 HA THR 66 HA THR 66 8.342 -8.370 -0.396 176 HB THR 66 HB THR 66 8.352 -9.326 2.033 177 HG1 THR 66 1HG THR 66 9.676 -7.430 3.167 178 HG21 THR 66 3HG2 THR 66 10.787 -9.126 2.182 179 HG22 THR 66 1HG2 THR 66 10.782 -7.725 1.076 180 HG23 THR 66 2HG2 THR 66 10.332 -9.335 0.482 181 H THR 67 H THR 67 6.714 -10.006 0.146 182 HA THR 67 HA THR 67 4.073 -9.209 -0.214 183 HB THR 67 HB THR 67 5.362 -11.708 0.976 184 HG1 THR 67 1HG THR 67 5.131 -12.373 -1.243 185 HG21 THR 67 3HG2 THR 67 2.583 -11.335 -0.249 186 HG22 THR 67 1HG2 THR 67 2.941 -11.829 1.420 187 HG23 THR 67 2HG2 THR 67 3.340 -12.911 0.078 188 H GLN 68 H GLN 68 5.818 -9.826 2.837 189 HA GLN 68 HA GLN 68 3.630 -9.844 4.608 190 HB2 GLN 68 1HB GLN 68 5.272 -9.571 6.340 191 HB3 GLN 68 2HB GLN 68 5.902 -10.593 5.056 192 HG2 GLN 68 1HG GLN 68 6.904 -8.228 4.211 193 HG3 GLN 68 2HG GLN 68 6.781 -7.857 5.919 194 HE21 GLN 68 2HE2 GLN 68 7.933 -10.649 3.801 195 HE22 GLN 68 1HE2 GLN 68 9.465 -10.733 4.609 196 H MET 69 H MET 69 5.424 -7.066 3.197 197 HA MET 69 HA MET 69 4.172 -5.152 4.952 198 HB2 MET 69 1HB MET 69 5.404 -4.879 2.175 199 HB3 MET 69 2HB MET 69 4.922 -3.523 3.196 200 HG2 MET 69 1HG MET 69 6.555 -4.146 4.893 201 HG3 MET 69 2HG MET 69 6.959 -5.603 3.997 202 HE1 MET 69 3HE MET 69 8.224 -1.298 2.849 203 HE2 MET 69 1HE MET 69 6.535 -1.764 2.618 204 HE3 MET 69 2HE MET 69 7.239 -1.757 4.254 205 H VAL 70 H VAL 70 3.382 -6.501 1.752 206 HA VAL 70 HA VAL 70 1.158 -4.877 1.183 207 HB VAL 70 HB VAL 70 1.486 -7.718 0.181 208 HG11 VAL 70 1HG1 VAL 70 -0.623 -6.606 -0.405 209 HG12 VAL 70 2HG1 VAL 70 0.291 -5.243 -1.091 210 HG13 VAL 70 3HG1 VAL 70 0.416 -6.841 -1.822 211 HG21 VAL 70 3HG2 VAL 70 2.774 -6.836 -1.707 212 HG22 VAL 70 1HG2 VAL 70 2.843 -5.239 -0.934 213 HG23 VAL 70 2HG2 VAL 70 3.655 -6.635 -0.192 214 H GLU 71 H GLU 71 1.197 -8.167 2.613 215 HA GLU 71 HA GLU 71 -1.623 -8.276 3.018 216 HB2 GLU 71 1HB GLU 71 -1.183 -9.999 4.744 217 HB3 GLU 71 2HB GLU 71 -0.496 -10.351 3.154 218 HG2 GLU 71 1HG GLU 71 1.593 -10.403 3.920 219 HG3 GLU 71 2HG GLU 71 1.378 -8.979 4.899 220 H THR 72 H THR 72 0.984 -7.009 5.219 221 HA THR 72 HA THR 72 -0.757 -6.541 7.383 222 HB THR 72 HB THR 72 1.683 -4.942 6.540 223 HG1 THR 72 1HG THR 72 1.223 -7.284 8.073 224 HG21 THR 72 3HG2 THR 72 0.065 -5.077 9.118 225 HG22 THR 72 1HG2 THR 72 0.401 -3.647 8.150 226 HG23 THR 72 2HG2 THR 72 1.733 -4.404 9.029 227 H VAL 73 H VAL 73 0.190 -4.027 4.868 228 HA VAL 73 HA VAL 73 -1.742 -2.164 5.726 229 HB VAL 73 HB VAL 73 -0.905 -2.757 2.882 230 HG11 VAL 73 1HG1 VAL 73 -1.556 -0.463 2.320 231 HG12 VAL 73 2HG1 VAL 73 -2.947 -1.334 2.921 232 HG13 VAL 73 3HG1 VAL 73 -2.118 -0.187 3.988 233 HG21 VAL 73 3HG2 VAL 73 0.635 -0.841 3.144 234 HG22 VAL 73 1HG2 VAL 73 0.256 -0.793 4.874 235 HG23 VAL 73 2HG2 VAL 73 1.037 -2.224 4.159 236 H GLN 74 H GLN 74 -2.153 -4.825 3.351 237 HA GLN 74 HA GLN 74 -4.800 -4.271 2.661 238 HB2 GLN 74 1HB GLN 74 -3.375 -5.972 1.530 239 HB3 GLN 74 2HB GLN 74 -3.540 -7.023 2.932 240 HG2 GLN 74 1HG GLN 74 -5.030 -7.854 1.324 241 HG3 GLN 74 2HG GLN 74 -6.016 -7.097 2.551 242 HE21 GLN 74 2HE2 GLN 74 -6.579 -4.466 1.841 243 HE22 GLN 74 1HE2 GLN 74 -7.021 -4.421 0.162 244 H ASN 75 H ASN 75 -3.718 -6.101 5.535 245 HA ASN 75 HA ASN 75 -6.362 -6.965 6.362 246 HB2 ASN 75 1HB ASN 75 -3.785 -6.495 7.930 247 HB3 ASN 75 2HB ASN 75 -5.284 -7.009 8.672 248 HD21 ASN 75 2HD2 ASN 75 -2.617 -8.085 6.705 249 HD22 ASN 75 1HD2 ASN 75 -3.030 -9.767 6.810 250 H LEU 76 H LEU 76 -4.303 -4.147 7.050 251 HA LEU 76 HA LEU 76 -6.281 -2.991 8.863 252 HB2 LEU 76 1HB LEU 76 -3.792 -1.690 7.735 253 HB3 LEU 76 2HB LEU 76 -4.718 -1.198 9.150 254 HG LEU 76 HG LEU 76 -2.966 -3.657 8.830 255 HD11 LEU 76 1HD1 LEU 76 -2.899 -1.377 10.809 256 HD12 LEU 76 2HD1 LEU 76 -1.824 -1.610 9.416 257 HD13 LEU 76 3HD1 LEU 76 -1.783 -2.763 10.748 258 HD21 LEU 76 3HD2 LEU 76 -3.524 -4.341 11.129 259 HD22 LEU 76 1HD2 LEU 76 -4.846 -4.568 10.002 260 HD23 LEU 76 2HD2 LEU 76 -4.873 -3.176 11.130 261 H ALA 77 H ALA 77 -5.789 -2.885 5.461 262 HA ALA 77 HA ALA 77 -7.867 -0.794 5.131 263 HB1 ALA 77 3HB ALA 77 -5.633 0.180 4.733 264 HB2 ALA 77 1HB ALA 77 -5.286 -1.088 3.541 265 HB3 ALA 77 2HB ALA 77 -6.585 0.076 3.235 266 HA PRO 78 HA PRO 78 -8.840 -4.758 2.829 267 HB2 PRO 78 2HB PRO 78 -11.477 -4.977 3.542 268 HB3 PRO 78 3HB PRO 78 -10.150 -5.561 4.583 269 HG2 PRO 78 2HG PRO 78 -11.609 -2.913 4.746 270 HG3 PRO 78 3HG PRO 78 -11.265 -4.070 6.072 271 HD2 PRO 78 2HD PRO 78 -9.698 -1.889 5.637 272 HD3 PRO 78 3HD PRO 78 -8.982 -3.455 6.135 273 H ASN 79 H ASN 79 -10.038 -1.530 2.971 274 HA ASN 79 HA ASN 79 -11.760 -1.686 0.646 275 HB2 ASN 79 1HB ASN 79 -12.035 -0.197 2.777 276 HB3 ASN 79 2HB ASN 79 -10.894 0.891 1.979 277 HD21 ASN 79 2HD2 ASN 79 -12.237 -0.111 -0.766 278 HD22 ASN 79 1HD2 ASN 79 -13.727 0.811 -0.747 279 H LEU 80 H LEU 80 -8.716 -2.184 0.544 280 HA LEU 80 HA LEU 80 -8.120 -0.390 -1.778 281 HB2 LEU 80 1HB LEU 80 -6.240 -1.399 0.405 282 HB3 LEU 80 2HB LEU 80 -5.677 -0.804 -1.143 283 HG LEU 80 HG LEU 80 -7.151 0.813 0.967 284 HD11 LEU 80 1HD1 LEU 80 -4.749 0.245 1.399 285 HD12 LEU 80 2HD1 LEU 80 -4.995 1.979 1.135 286 HD13 LEU 80 3HD1 LEU 80 -4.323 0.974 -0.169 287 HD21 LEU 80 3HD2 LEU 80 -7.861 1.714 -1.180 288 HD22 LEU 80 1HD2 LEU 80 -6.199 1.648 -1.819 289 HD23 LEU 80 2HD2 LEU 80 -6.627 2.785 -0.525 290 H HIS 81 H HIS 81 -6.935 -1.380 -3.486 291 HA HIS 81 HA HIS 81 -7.559 -4.160 -3.854 292 HB2 HIS 81 1HB HIS 81 -7.554 -2.274 -5.596 293 HB3 HIS 81 2HB HIS 81 -5.801 -2.346 -5.503 294 HD2 HIS 81 HD2 HIS 81 -8.818 -4.252 -6.864 295 HE1 HIS 81 HE1 HIS 81 -5.323 -6.089 -8.479 296 HE2 HIS 81 HE2 HIS 81 -7.875 -5.991 -8.598 297 HA PRO 82 HA PRO 82 -3.726 -5.632 -2.121 298 HB2 PRO 82 2HB PRO 82 -3.380 -8.026 -3.456 299 HB3 PRO 82 3HB PRO 82 -4.531 -7.737 -2.123 300 HG2 PRO 82 2HG PRO 82 -5.031 -7.725 -5.104 301 HG3 PRO 82 3HG PRO 82 -6.023 -8.473 -3.799 302 HD2 PRO 82 2HD PRO 82 -6.574 -6.037 -4.941 303 HD3 PRO 82 3HD PRO 82 -6.965 -6.385 -3.229 304 H GLU 83 H GLU 83 -3.971 -4.974 -5.564 305 HA GLU 83 HA GLU 83 -1.118 -5.347 -6.006 306 HB2 GLU 83 1HB GLU 83 -3.269 -5.650 -7.606 307 HB3 GLU 83 2HB GLU 83 -2.996 -3.950 -7.915 308 HG2 GLU 83 1HG GLU 83 -1.925 -5.172 -9.631 309 HG3 GLU 83 2HG GLU 83 -0.665 -4.482 -8.611 310 H GLN 84 H GLN 84 -3.463 -2.671 -5.542 311 HA GLN 84 HA GLN 84 -1.783 -0.477 -6.192 312 HB2 GLN 84 1HB GLN 84 -3.954 -0.707 -4.060 313 HB3 GLN 84 2HB GLN 84 -3.144 0.804 -4.475 314 HG2 GLN 84 1HG GLN 84 -4.022 0.742 -6.736 315 HG3 GLN 84 2HG GLN 84 -4.752 -0.819 -6.452 316 HE21 GLN 84 2HE2 GLN 84 -5.048 2.648 -5.920 317 HE22 GLN 84 1HE2 GLN 84 -6.576 2.622 -5.144 318 H ILE 85 H ILE 85 -2.328 -2.150 -3.087 319 HA ILE 85 HA ILE 85 -0.835 -0.631 -1.363 320 HB ILE 85 HB ILE 85 -1.304 -3.628 -1.479 321 HG12 ILE 85 1HG1 ILE 85 -2.649 -1.527 0.281 322 HG13 ILE 85 2HG1 ILE 85 -3.309 -2.014 -1.275 323 HG21 ILE 85 1HG2 ILE 85 -0.255 -1.927 0.833 324 HG22 ILE 85 2HG2 ILE 85 -0.715 -3.649 0.930 325 HG23 ILE 85 3HG2 ILE 85 0.643 -3.166 -0.041 326 HD11 ILE 85 3HD1 ILE 85 -4.400 -3.342 0.389 327 HD12 ILE 85 1HD1 ILE 85 -3.284 -4.409 -0.501 328 HD13 ILE 85 2HD1 ILE 85 -2.848 -3.826 1.106 329 H ARG 86 H ARG 86 0.420 -3.469 -3.247 330 HA ARG 86 HA ARG 86 3.058 -3.285 -2.309 331 HB2 ARG 86 1HB ARG 86 2.348 -5.153 -3.623 332 HB3 ARG 86 2HB ARG 86 1.983 -4.154 -5.015 333 HG2 ARG 86 1HG ARG 86 4.797 -4.175 -3.880 334 HG3 ARG 86 2HG ARG 86 4.252 -5.556 -4.784 335 HD2 ARG 86 1HD ARG 86 4.674 -2.736 -5.783 336 HD3 ARG 86 2HD ARG 86 5.446 -4.216 -6.328 337 HE ARG 86 HE ARG 86 3.146 -2.988 -7.326 338 HH11 ARG 86 1HH1 ARG 86 4.213 -6.346 -6.553 339 HH12 ARG 86 2HH1 ARG 86 2.873 -7.097 -7.343 340 HH21 ARG 86 1HH2 ARG 86 2.047 -4.204 -9.175 341 HH22 ARG 86 2HH2 ARG 86 1.664 -5.862 -8.907 342 H TYR 87 H TYR 87 1.598 -1.460 -5.037 343 HA TYR 87 HA TYR 87 4.041 -0.106 -5.666 344 HB2 TYR 87 2HB TYR 87 1.839 -0.326 -7.023 345 HB3 TYR 87 3HB TYR 87 1.229 1.001 -6.083 346 HD1 TYR 87 2HD TYR 87 4.502 0.202 -7.842 347 HD2 TYR 87 1HD TYR 87 1.347 3.091 -7.141 348 HE1 TYR 87 2HE TYR 87 5.589 1.740 -9.368 349 HE2 TYR 87 1HE TYR 87 2.449 4.663 -8.684 350 HH TYR 87 HH TYR 87 4.273 5.050 -10.044 351 H SER 88 H SER 88 1.407 0.586 -3.418 352 HA SER 88 HA SER 88 2.129 3.287 -2.754 353 HB2 SER 88 1HB SER 88 0.946 1.295 -0.799 354 HB3 SER 88 2HB SER 88 0.762 3.059 -0.817 355 HG SER 88 HG SER 88 -0.265 2.536 -3.013 356 H LEU 89 H LEU 89 2.956 0.157 -1.291 357 HA LEU 89 HA LEU 89 4.679 1.067 0.780 358 HB2 LEU 89 1HB LEU 89 4.640 -1.525 -0.807 359 HB3 LEU 89 2HB LEU 89 5.525 -1.276 0.689 360 HG LEU 89 HG LEU 89 2.511 -0.903 0.572 361 HD11 LEU 89 1HD1 LEU 89 2.458 -3.201 1.531 362 HD12 LEU 89 2HD1 LEU 89 4.162 -3.403 1.020 363 HD13 LEU 89 3HD1 LEU 89 2.900 -3.113 -0.179 364 HD21 LEU 89 3HD2 LEU 89 4.490 -1.320 2.830 365 HD22 LEU 89 1HD2 LEU 89 2.733 -1.427 2.973 366 HD23 LEU 89 2HD2 LEU 89 3.490 0.096 2.487 367 H GLU 90 H GLU 90 5.289 0.353 -2.707 368 HA GLU 90 HA GLU 90 8.179 0.435 -2.422 369 HB2 GLU 90 1HB GLU 90 6.226 0.573 -4.746 370 HB3 GLU 90 2HB GLU 90 7.945 0.870 -4.978 371 HG2 GLU 90 1HG GLU 90 8.507 -1.337 -4.045 372 HG3 GLU 90 2HG GLU 90 6.813 -1.633 -3.670 373 H ASN 91 H ASN 91 5.642 2.771 -2.998 374 HA ASN 91 HA ASN 91 7.459 4.956 -3.672 375 HB2 ASN 91 1HB ASN 91 4.474 4.781 -3.181 376 HB3 ASN 91 2HB ASN 91 5.292 6.338 -3.252 377 HD21 ASN 91 2HD2 ASN 91 4.392 3.499 -5.134 378 HD22 ASN 91 1HD2 ASN 91 4.744 4.192 -6.694 379 H THR 92 H THR 92 5.377 4.305 -0.767 380 HA THR 92 HA THR 92 6.428 6.440 0.773 381 HB THR 92 HB THR 92 5.041 5.366 2.514 382 HG1 THR 92 1HG THR 92 4.345 3.340 0.714 383 HG21 THR 92 3HG2 THR 92 3.725 6.646 0.963 384 HG22 THR 92 1HG2 THR 92 2.855 5.152 1.367 385 HG23 THR 92 2HG2 THR 92 3.652 5.305 -0.204 386 H GLY 93 H GLY 93 7.152 2.922 0.654 387 HA2 GLY 93 1HA GLY 93 9.100 1.855 1.160 388 HA3 GLY 93 2HA GLY 93 9.731 3.274 1.996 389 H SER 94 H SER 94 6.646 2.946 3.282 390 HA SER 94 HA SER 94 7.291 0.824 5.238 391 HB2 SER 94 1HB SER 94 6.740 3.719 5.963 392 HB3 SER 94 2HB SER 94 6.843 2.344 7.078 393 HG SER 94 HG SER 94 8.921 3.459 5.483 394 H VAL 95 H VAL 95 5.608 -0.111 6.117 395 HA VAL 95 HA VAL 95 3.035 -0.122 4.847 396 HB VAL 95 HB VAL 95 4.062 -1.208 7.499 397 HG11 VAL 95 1HG1 VAL 95 1.556 -2.285 6.276 398 HG12 VAL 95 2HG1 VAL 95 2.273 -2.512 7.872 399 HG13 VAL 95 3HG1 VAL 95 1.514 -0.970 7.468 400 HG21 VAL 95 3HG2 VAL 95 4.173 -3.366 6.410 401 HG22 VAL 95 1HG2 VAL 95 3.548 -2.662 4.900 402 HG23 VAL 95 2HG2 VAL 95 5.153 -2.195 5.518 403 H GLU 96 H GLU 96 4.238 1.095 8.006 404 HA GLU 96 HA GLU 96 1.890 2.130 9.001 405 HB2 GLU 96 1HB GLU 96 3.217 3.196 10.567 406 HB3 GLU 96 2HB GLU 96 4.137 1.762 10.053 407 HG2 GLU 96 1HG GLU 96 5.547 3.208 8.610 408 HG3 GLU 96 2HG GLU 96 4.714 4.627 9.257 409 H GLU 97 H GLU 97 4.229 3.849 6.839 410 HA GLU 97 HA GLU 97 2.698 6.267 6.812 411 HB2 GLU 97 1HB GLU 97 4.994 6.272 5.969 412 HB3 GLU 97 2HB GLU 97 4.582 5.126 4.678 413 HG2 GLU 97 1HG GLU 97 4.783 7.492 3.908 414 HG3 GLU 97 2HG GLU 97 3.272 6.701 3.505 415 H THR 98 H THR 98 2.626 3.388 4.702 416 HA THR 98 HA THR 98 0.658 4.273 2.910 417 HB THR 98 HB THR 98 1.159 1.433 3.840 418 HG1 THR 98 1HG THR 98 3.075 2.460 3.045 419 HG21 THR 98 3HG2 THR 98 0.431 0.868 1.541 420 HG22 THR 98 1HG2 THR 98 0.041 2.582 1.264 421 HG23 THR 98 2HG2 THR 98 -0.866 1.657 2.477 422 H VAL 99 H VAL 99 0.293 2.849 6.128 423 HA VAL 99 HA VAL 99 -2.611 2.669 5.958 424 HB VAL 99 HB VAL 99 -0.655 2.388 8.271 425 HG11 VAL 99 1HG1 VAL 99 -2.544 1.315 9.489 426 HG12 VAL 99 2HG1 VAL 99 -2.832 3.036 9.199 427 HG13 VAL 99 3HG1 VAL 99 -3.653 1.822 8.192 428 HG21 VAL 99 3HG2 VAL 99 -1.092 0.006 8.036 429 HG22 VAL 99 1HG2 VAL 99 -2.296 0.296 6.760 430 HG23 VAL 99 2HG2 VAL 99 -0.580 0.615 6.466 431 H GLU 100 H GLU 100 -0.251 5.043 7.304 432 HA GLU 100 HA GLU 100 -2.191 6.709 8.563 433 HB2 GLU 100 1HB GLU 100 0.683 7.176 7.702 434 HB3 GLU 100 2HB GLU 100 -0.315 8.447 8.401 435 HG2 GLU 100 1HG GLU 100 -0.805 6.561 10.263 436 HG3 GLU 100 2HG GLU 100 0.772 5.982 9.736 437 H ARG 101 H ARG 101 -1.016 6.572 5.262 438 HA ARG 101 HA ARG 101 -2.385 9.084 4.587 439 HB2 ARG 101 1HB ARG 101 -1.639 8.639 2.304 440 HB3 ARG 101 2HB ARG 101 -0.313 8.530 3.458 441 HG2 ARG 101 1HG ARG 101 -0.737 6.007 3.459 442 HG3 ARG 101 2HG ARG 101 -1.761 6.272 2.091 443 HD2 ARG 101 1HD ARG 101 1.209 6.764 2.376 444 HD3 ARG 101 2HD ARG 101 0.422 5.592 1.298 445 HE ARG 101 HE ARG 101 0.666 8.484 1.083 446 HH11 ARG 101 1HH1 ARG 101 -1.070 5.665 -0.297 447 HH12 ARG 101 2HH1 ARG 101 -1.658 6.598 -1.644 448 HH21 ARG 101 1HH2 ARG 101 -0.086 9.583 -0.777 449 HH22 ARG 101 2HH2 ARG 101 -1.128 8.775 -1.940 450 H TYR 102 H TYR 102 -2.890 5.593 4.257 451 HA TYR 102 HA TYR 102 -5.244 5.572 2.680 452 HB2 TYR 102 2HB TYR 102 -4.296 3.492 3.019 453 HB3 TYR 102 3HB TYR 102 -4.078 3.736 4.747 454 HD1 TYR 102 1HD TYR 102 -6.746 3.290 2.157 455 HD2 TYR 102 2HD TYR 102 -5.636 3.003 6.320 456 HE1 TYR 102 1HE TYR 102 -8.894 2.182 2.641 457 HE2 TYR 102 2HE TYR 102 -7.746 1.938 6.835 458 HH TYR 102 HH TYR 102 -10.401 1.833 4.546 459 H LEU 103 H LEU 103 -5.052 5.604 6.285 460 HA LEU 103 HA LEU 103 -7.844 5.940 6.670 461 HB2 LEU 103 1HB LEU 103 -7.314 6.662 8.941 462 HB3 LEU 103 2HB LEU 103 -6.474 5.208 8.440 463 HG LEU 103 HG LEU 103 -4.483 6.857 7.890 464 HD11 LEU 103 1HD1 LEU 103 -5.552 9.014 8.324 465 HD12 LEU 103 2HD1 LEU 103 -4.316 8.723 9.526 466 HD13 LEU 103 3HD1 LEU 103 -6.026 8.480 9.955 467 HD21 LEU 103 3HD2 LEU 103 -5.263 6.078 10.720 468 HD22 LEU 103 1HD2 LEU 103 -3.631 6.511 10.194 469 HD23 LEU 103 2HD2 LEU 103 -4.414 5.064 9.520 470 H ARG 104 H ARG 104 -5.558 8.269 5.543 471 HA ARG 104 HA ARG 104 -7.164 10.643 6.231 472 HB2 ARG 104 1HB ARG 104 -5.125 11.586 6.031 473 HB3 ARG 104 2HB ARG 104 -4.432 10.091 5.466 474 HG2 ARG 104 1HG ARG 104 -5.312 10.757 3.129 475 HG3 ARG 104 2HG ARG 104 -5.556 12.359 3.785 476 HD2 ARG 104 1HD ARG 104 -2.928 10.829 3.643 477 HD3 ARG 104 2HD ARG 104 -3.530 11.997 2.443 478 HE ARG 104 HE ARG 104 -3.544 13.235 4.925 479 HH11 ARG 104 1HH1 ARG 104 -1.306 12.131 2.325 480 HH12 ARG 104 2HH1 ARG 104 -0.107 13.330 2.727 481 HH21 ARG 104 1HH2 ARG 104 -1.751 14.627 5.553 482 HH22 ARG 104 2HH2 ARG 104 -0.372 14.758 4.479 483 H GLY 105 H GLY 105 -7.157 8.196 3.772 484 HA2 GLY 105 1HA GLY 105 -8.586 7.914 2.003 485 HA3 GLY 105 2HA GLY 105 -9.237 9.546 2.268 486 H ASP 106 H ASP 106 -5.768 8.948 2.022 487 HA ASP 106 HA ASP 106 -5.273 10.952 0.147 488 HB2 ASP 106 1HB ASP 106 -3.714 9.659 1.819 489 HB3 ASP 106 2HB ASP 106 -3.336 8.664 0.428 490 H GLU 107 H GLU 107 -3.794 10.294 -1.918 491 HA GLU 107 HA GLU 107 -5.473 8.829 -3.824 492 HB2 GLU 107 1HB GLU 107 -2.700 10.109 -4.035 493 HB3 GLU 107 2HB GLU 107 -3.602 9.383 -5.374 494 HG2 GLU 107 1HG GLU 107 -5.447 11.043 -4.979 495 HG3 GLU 107 2HG GLU 107 -4.428 11.831 -3.754 496 H PHE 108 H PHE 108 -5.107 6.835 -4.664 497 HA PHE 108 HA PHE 108 -2.623 5.364 -3.895 498 HB2 PHE 108 2HB PHE 108 -5.488 4.504 -3.398 499 HB3 PHE 108 3HB PHE 108 -4.226 3.331 -3.744 500 HD1 PHE 108 2HD PHE 108 -5.023 6.122 -1.371 501 HD2 PHE 108 1HD PHE 108 -2.819 2.501 -2.097 502 HE1 PHE 108 2HE PHE 108 -4.160 6.205 0.930 503 HE2 PHE 108 1HE PHE 108 -2.003 2.524 0.227 504 HZ PHE 108 HZ PHE 108 -2.652 4.379 1.760 505 H SER 109 H SER 109 -1.729 5.232 -5.812 506 HA SER 109 HA SER 109 -3.363 4.816 -8.241 507 HB2 SER 109 1HB SER 109 -0.340 5.160 -7.881 508 HB3 SER 109 2HB SER 109 -1.228 5.241 -9.414 509 HG SER 109 HG SER 109 -0.949 7.331 -8.699 510 H PHE 110 H PHE 110 -2.143 3.206 -9.902 511 HA PHE 110 HA PHE 110 -1.873 0.614 -8.456 512 HB2 PHE 110 2HB PHE 110 -3.015 1.296 -11.173 513 HB3 PHE 110 3HB PHE 110 -2.517 -0.319 -10.749 514 HD1 PHE 110 1HD PHE 110 -4.859 2.409 -9.788 515 HD2 PHE 110 2HD PHE 110 -3.915 -1.794 -9.389 516 HE1 PHE 110 1HE PHE 110 -7.101 1.996 -8.871 517 HE2 PHE 110 2HE PHE 110 -6.168 -2.202 -8.486 518 HZ PHE 110 HZ PHE 110 -7.779 -0.334 -8.215 519 HA PRO 111 HA PRO 111 2.249 0.540 -9.928 520 HB2 PRO 111 2HB PRO 111 2.702 -2.190 -10.314 521 HB3 PRO 111 3HB PRO 111 2.680 -1.385 -8.732 522 HG2 PRO 111 2HG PRO 111 0.540 -3.010 -10.079 523 HG3 PRO 111 3HG PRO 111 0.924 -2.860 -8.325 524 HD2 PRO 111 2HD PRO 111 -1.176 -1.617 -9.573 525 HD3 PRO 111 3HD PRO 111 -0.418 -1.071 -8.054 526 HA PRO 112 HA PRO 112 2.456 0.373 -14.322 527 HB2 PRO 112 2HB PRO 112 5.028 -0.468 -14.886 528 HB3 PRO 112 3HB PRO 112 4.628 1.163 -14.259 529 HG2 PRO 112 2HG PRO 112 5.554 -1.263 -12.688 530 HG3 PRO 112 3HG PRO 112 6.158 0.416 -12.585 531 HD2 PRO 112 2HD PRO 112 4.342 -0.524 -10.818 532 HD3 PRO 112 3HD PRO 112 4.201 1.140 -11.439 533 H GLY 113 H GLY 113 1.625 -1.149 -15.743 534 HA2 GLY 113 1HA GLY 113 1.707 -3.252 -16.802 535 HA3 GLY 113 2HA GLY 113 2.306 -4.019 -15.322 536 H PHE 114 H PHE 114 -0.001 -1.972 -14.131 537 HA PHE 114 HA PHE 114 -2.040 -4.113 -14.103 538 HB2 PHE 114 2HB PHE 114 -1.352 -2.960 -12.005 539 HB3 PHE 114 3HB PHE 114 -1.930 -1.431 -12.686 540 HD1 PHE 114 2HD PHE 114 -2.970 -4.838 -11.557 541 HD2 PHE 114 1HD PHE 114 -4.301 -0.955 -12.855 542 HE1 PHE 114 2HE PHE 114 -5.249 -5.360 -10.742 543 HE2 PHE 114 1HE PHE 114 -6.595 -1.472 -11.987 544 HZ PHE 114 HZ PHE 114 -7.069 -3.666 -10.942 545 H GLU 115 H GLU 115 -1.359 -1.012 -15.534 546 HA GLU 115 HA GLU 115 -4.093 -0.723 -16.654 547 HB2 GLU 115 1HB GLU 115 -1.661 1.126 -16.746 548 HB3 GLU 115 2HB GLU 115 -3.254 1.495 -17.407 549 HG2 GLU 115 1HG GLU 115 -2.694 0.968 -14.441 550 HG3 GLU 115 2HG GLU 115 -2.705 2.554 -15.196 Start of MODEL 5 1 H1 GLY 41 H GLY 41 33.405 17.929 0.003 2 HA2 GLY 41 1HA GLY 41 32.623 20.228 -0.295 3 HA3 GLY 41 2HA GLY 41 34.273 20.763 0.098 4 H ALA 42 H ALA 42 32.845 21.376 -2.366 5 HA ALA 42 HA ALA 42 34.712 20.238 -4.335 6 HB1 ALA 42 3HB ALA 42 32.572 18.921 -4.432 7 HB2 ALA 42 1HB ALA 42 31.678 20.434 -4.694 8 HB3 ALA 42 2HB ALA 42 32.851 19.866 -5.901 9 H MET 43 H MET 43 34.002 21.615 -6.510 10 HA MET 43 HA MET 43 33.570 24.441 -5.817 11 HB2 MET 43 1HB MET 43 35.491 25.139 -7.151 12 HB3 MET 43 2HB MET 43 36.012 24.147 -5.791 13 HG2 MET 43 1HG MET 43 36.257 22.196 -7.299 14 HG3 MET 43 2HG MET 43 35.714 23.180 -8.666 15 HE1 MET 43 3HE MET 43 39.518 22.629 -9.450 16 HE2 MET 43 1HE MET 43 38.412 21.468 -8.683 17 HE3 MET 43 2HE MET 43 37.854 22.463 -10.052 18 H GLY 44 H GLY 44 33.356 25.671 -8.086 19 HA2 GLY 44 1HA GLY 44 32.541 24.164 -10.352 20 HA3 GLY 44 2HA GLY 44 31.137 24.695 -9.398 21 HA PRO 45 HA PRO 45 32.757 28.129 -12.234 22 HB2 PRO 45 2HB PRO 45 30.432 28.580 -13.654 23 HB3 PRO 45 3HB PRO 45 31.688 27.401 -14.136 24 HG2 PRO 45 2HG PRO 45 29.119 26.874 -12.613 25 HG3 PRO 45 3HG PRO 45 29.787 25.967 -14.007 26 HD2 PRO 45 2HD PRO 45 30.126 25.117 -11.448 27 HD3 PRO 45 3HD PRO 45 31.438 24.934 -12.654 28 H GLN 46 H GLN 46 32.829 29.933 -11.048 29 HA GLN 46 HA GLN 46 30.906 30.586 -9.009 30 HB2 GLN 46 1HB GLN 46 33.150 32.269 -10.233 31 HB3 GLN 46 2HB GLN 46 32.277 32.618 -8.738 32 HG2 GLN 46 1HG GLN 46 34.124 30.233 -9.249 33 HG3 GLN 46 2HG GLN 46 34.457 31.639 -8.241 34 HE21 GLN 46 2HE2 GLN 46 32.999 28.433 -8.266 35 HE22 GLN 46 1HE2 GLN 46 32.379 28.580 -6.619 36 H GLY 47 H GLY 47 28.863 31.103 -9.656 37 HA2 GLY 47 1HA GLY 47 28.153 33.476 -10.872 38 HA3 GLY 47 2HA GLY 47 28.230 32.279 -12.188 39 H SER 48 H SER 48 26.090 31.792 -12.567 40 HA SER 48 HA SER 48 24.094 31.642 -10.506 41 HB2 SER 48 1HB SER 48 23.856 32.340 -12.980 42 HB3 SER 48 2HB SER 48 23.801 30.609 -13.343 43 HG SER 48 HG SER 48 21.739 31.207 -13.037 44 H THR 49 H THR 49 25.594 30.023 -9.272 45 HA THR 49 HA THR 49 25.668 27.284 -10.096 46 HB THR 49 HB THR 49 27.229 28.290 -8.522 47 HG1 THR 49 1HG THR 49 25.871 26.268 -7.085 48 HG21 THR 49 3HG2 THR 49 25.792 29.785 -7.213 49 HG22 THR 49 1HG2 THR 49 26.673 28.673 -6.164 50 HG23 THR 49 2HG2 THR 49 24.955 28.387 -6.495 51 H GLN 50 H GLN 50 23.099 29.188 -8.914 52 HA GLN 50 HA GLN 50 21.535 27.318 -7.525 53 HB2 GLN 50 1HB GLN 50 19.767 29.035 -7.727 54 HB3 GLN 50 2HB GLN 50 21.307 29.780 -7.316 55 HG2 GLN 50 1HG GLN 50 21.625 30.640 -9.539 56 HG3 GLN 50 2HG GLN 50 20.345 29.620 -10.202 57 HE21 GLN 50 2HE2 GLN 50 19.571 31.732 -11.105 58 HE22 GLN 50 1HE2 GLN 50 18.613 32.786 -10.089 59 H ASN 51 H ASN 51 22.341 26.309 -10.056 60 HA ASN 51 HA ASN 51 19.937 25.982 -11.729 61 HB2 ASN 51 1HB ASN 51 22.083 25.827 -12.841 62 HB3 ASN 51 2HB ASN 51 22.626 24.539 -11.750 63 HD21 ASN 51 2HD2 ASN 51 21.801 22.355 -12.065 64 HD22 ASN 51 1HD2 ASN 51 20.649 22.015 -13.335 65 H ALA 52 H ALA 52 21.770 23.848 -9.497 66 HA ALA 52 HA ALA 52 19.848 21.695 -9.669 67 HB1 ALA 52 3HB ALA 52 22.256 21.336 -9.302 68 HB2 ALA 52 1HB ALA 52 22.150 22.165 -7.730 69 HB3 ALA 52 2HB ALA 52 21.291 20.644 -7.998 70 H LEU 53 H LEU 53 17.967 23.111 -9.134 71 HA LEU 53 HA LEU 53 17.541 23.349 -6.164 72 HB2 LEU 53 1HB LEU 53 16.545 25.029 -8.485 73 HB3 LEU 53 2HB LEU 53 15.701 25.023 -6.944 74 HG LEU 53 HG LEU 53 18.616 25.827 -7.248 75 HD11 LEU 53 1HD1 LEU 53 17.064 27.388 -8.392 76 HD12 LEU 53 2HD1 LEU 53 17.751 28.130 -6.945 77 HD13 LEU 53 3HD1 LEU 53 16.081 27.514 -6.924 78 HD21 LEU 53 3HD2 LEU 53 16.663 26.092 -4.916 79 HD22 LEU 53 1HD2 LEU 53 18.297 26.774 -4.973 80 HD23 LEU 53 2HD2 LEU 53 18.070 25.015 -4.959 81 H ARG 54 H ARG 54 15.569 22.941 -5.313 82 HA ARG 54 HA ARG 54 13.789 21.733 -4.816 83 HB2 ARG 54 1HB ARG 54 13.121 23.457 -6.771 84 HB3 ARG 54 2HB ARG 54 12.707 21.970 -7.607 85 HG2 ARG 54 1HG ARG 54 10.753 22.796 -6.537 86 HG3 ARG 54 2HG ARG 54 11.264 21.393 -5.573 87 HD2 ARG 54 1HD ARG 54 12.473 23.118 -4.060 88 HD3 ARG 54 2HD ARG 54 11.593 24.352 -4.965 89 HE ARG 54 HE ARG 54 9.554 22.820 -4.284 90 HH11 ARG 54 1HH1 ARG 54 12.361 23.735 -2.197 91 HH12 ARG 54 2HH1 ARG 54 11.323 23.992 -0.814 92 HH21 ARG 54 1HH2 ARG 54 8.351 22.911 -2.229 93 HH22 ARG 54 2HH2 ARG 54 9.196 23.487 -0.820 94 H ARG 55 H ARG 55 16.013 20.070 -6.361 95 HA ARG 55 HA ARG 55 14.491 17.907 -7.485 96 HB2 ARG 55 1HB ARG 55 16.782 18.464 -8.006 97 HB3 ARG 55 2HB ARG 55 17.330 18.022 -6.397 98 HG2 ARG 55 1HG ARG 55 16.063 16.069 -8.372 99 HG3 ARG 55 2HG ARG 55 17.782 16.449 -8.363 100 HD2 ARG 55 1HD ARG 55 16.224 15.046 -6.184 101 HD3 ARG 55 2HD ARG 55 17.508 14.396 -7.195 102 HE ARG 55 HE ARG 55 18.601 16.583 -5.791 103 HH11 ARG 55 1HH1 ARG 55 17.370 13.307 -5.129 104 HH12 ARG 55 2HH1 ARG 55 18.292 13.164 -3.678 105 HH21 ARG 55 1HH2 ARG 55 19.541 16.458 -3.739 106 HH22 ARG 55 2HH2 ARG 55 19.202 15.088 -2.691 107 H THR 56 H THR 56 15.332 18.676 -4.093 108 HA THR 56 HA THR 56 14.882 16.054 -3.056 109 HB THR 56 HB THR 56 14.585 17.352 -0.894 110 HG1 THR 56 1HG THR 56 13.877 19.269 -1.364 111 HG21 THR 56 3HG2 THR 56 16.817 16.582 -1.636 112 HG22 THR 56 1HG2 THR 56 16.908 18.130 -0.786 113 HG23 THR 56 2HG2 THR 56 17.045 18.087 -2.555 114 H GLY 57 H GLY 57 12.967 15.354 -1.783 115 HA2 GLY 57 1HA GLY 57 10.636 15.862 -1.156 116 HA3 GLY 57 2HA GLY 57 10.381 16.463 -2.796 117 H ARG 58 H ARG 58 8.696 14.522 -2.016 118 HA ARG 58 HA ARG 58 9.613 11.825 -2.464 119 HB2 ARG 58 1HB ARG 58 6.779 12.947 -2.558 120 HB3 ARG 58 2HB ARG 58 7.218 11.266 -2.636 121 HG2 ARG 58 1HG ARG 58 6.765 11.290 -0.441 122 HG3 ARG 58 2HG ARG 58 8.446 11.792 -0.320 123 HD2 ARG 58 1HD ARG 58 7.073 13.202 1.068 124 HD3 ARG 58 2HD ARG 58 7.687 14.171 -0.252 125 HE ARG 58 HE ARG 58 5.572 14.387 -1.159 126 HH11 ARG 58 1HH1 ARG 58 5.283 12.030 1.540 127 HH12 ARG 58 2HH1 ARG 58 3.660 12.507 1.898 128 HH21 ARG 58 1HH2 ARG 58 3.395 14.872 -0.700 129 HH22 ARG 58 2HH2 ARG 58 2.496 13.885 0.413 130 H VAL 59 H VAL 59 10.719 11.743 -4.517 131 HA VAL 59 HA VAL 59 8.913 11.273 -6.725 132 HB VAL 59 HB VAL 59 9.281 13.763 -6.764 133 HG11 VAL 59 1HG1 VAL 59 12.163 13.069 -7.417 134 HG12 VAL 59 2HG1 VAL 59 11.422 14.676 -7.515 135 HG13 VAL 59 3HG1 VAL 59 11.587 13.885 -5.943 136 HG21 VAL 59 3HG2 VAL 59 8.691 12.537 -8.807 137 HG22 VAL 59 1HG2 VAL 59 9.702 13.957 -9.117 138 HG23 VAL 59 2HG2 VAL 59 10.418 12.345 -9.193 139 H ASN 60 H ASN 60 10.053 10.161 -8.458 140 HA ASN 60 HA ASN 60 11.285 8.422 -9.150 141 HB2 ASN 60 1HB ASN 60 13.647 10.130 -8.333 142 HB3 ASN 60 2HB ASN 60 13.621 8.871 -9.568 143 HD21 ASN 60 2HD2 ASN 60 11.323 9.436 -11.127 144 HD22 ASN 60 1HD2 ASN 60 11.393 11.111 -11.631 145 H GLY 61 H GLY 61 10.289 7.544 -6.985 146 HA2 GLY 61 1HA GLY 61 12.302 6.607 -5.072 147 HA3 GLY 61 2HA GLY 61 10.554 6.382 -5.027 148 H GLY 62 H GLY 62 10.793 4.220 -4.522 149 HA2 GLY 62 1HA GLY 62 10.224 2.155 -5.889 150 HA3 GLY 62 2HA GLY 62 11.808 2.339 -6.632 151 H HIS 63 H HIS 63 10.435 2.308 -3.240 152 HA HIS 63 HA HIS 63 12.873 1.160 -2.188 153 HB2 HIS 63 1HB HIS 63 10.098 1.510 -0.966 154 HB3 HIS 63 2HB HIS 63 11.494 0.876 -0.098 155 HD1 HIS 63 HD1 HIS 63 13.793 2.760 -0.645 156 HD2 HIS 63 HD2 HIS 63 9.778 4.030 -0.367 157 HE1 HIS 63 HE1 HIS 63 13.860 5.249 -0.224 158 HA PRO 64 HA PRO 64 11.704 -3.011 -3.165 159 HB2 PRO 64 2HB PRO 64 13.445 -4.450 -1.635 160 HB3 PRO 64 3HB PRO 64 13.993 -3.441 -2.998 161 HG2 PRO 64 2HG PRO 64 14.025 -2.727 -0.054 162 HG3 PRO 64 3HG PRO 64 15.329 -2.530 -1.265 163 HD2 PRO 64 2HD PRO 64 13.621 -0.492 -0.575 164 HD3 PRO 64 3HD PRO 64 14.314 -0.663 -2.217 165 H VAL 65 H VAL 65 9.835 -3.938 -2.426 166 HA VAL 65 HA VAL 65 9.243 -4.009 0.523 167 HB VAL 65 HB VAL 65 6.922 -3.974 -0.077 168 HG11 VAL 65 1HG1 VAL 65 8.592 -1.751 -1.345 169 HG12 VAL 65 2HG1 VAL 65 6.864 -1.674 -1.101 170 HG13 VAL 65 3HG1 VAL 65 7.944 -1.826 0.296 171 HG21 VAL 65 3HG2 VAL 65 7.762 -3.710 -2.999 172 HG22 VAL 65 1HG2 VAL 65 6.935 -5.107 -2.266 173 HG23 VAL 65 2HG2 VAL 65 6.122 -3.536 -2.342 174 H THR 66 H THR 66 7.693 -5.844 1.114 175 HA THR 66 HA THR 66 8.528 -8.371 -0.157 176 HB THR 66 HB THR 66 8.401 -9.214 2.312 177 HG1 THR 66 1HG THR 66 9.215 -7.581 3.759 178 HG21 THR 66 3HG2 THR 66 10.474 -9.265 1.007 179 HG22 THR 66 1HG2 THR 66 10.807 -8.751 2.674 180 HG23 THR 66 2HG2 THR 66 10.771 -7.553 1.373 181 H THR 67 H THR 67 6.844 -10.072 0.132 182 HA THR 67 HA THR 67 4.252 -9.220 -0.432 183 HB THR 67 HB THR 67 5.031 -11.821 0.945 184 HG1 THR 67 1HG THR 67 5.502 -12.559 -1.167 185 HG21 THR 67 3HG2 THR 67 3.277 -12.794 -0.490 186 HG22 THR 67 1HG2 THR 67 2.983 -11.212 -1.245 187 HG23 THR 67 2HG2 THR 67 2.600 -11.483 0.470 188 H GLN 68 H GLN 68 5.763 -10.045 2.662 189 HA GLN 68 HA GLN 68 3.534 -10.019 4.348 190 HB2 GLN 68 1HB GLN 68 5.129 -9.771 6.121 191 HB3 GLN 68 2HB GLN 68 5.779 -10.857 4.902 192 HG2 GLN 68 1HG GLN 68 6.756 -8.378 4.075 193 HG3 GLN 68 2HG GLN 68 6.714 -8.165 5.813 194 HE21 GLN 68 2HE2 GLN 68 7.602 -11.276 4.002 195 HE22 GLN 68 1HE2 GLN 68 9.231 -11.202 4.523 196 H MET 69 H MET 69 5.348 -7.113 3.013 197 HA MET 69 HA MET 69 4.147 -5.329 4.918 198 HB2 MET 69 1HB MET 69 5.370 -4.980 2.147 199 HB3 MET 69 2HB MET 69 4.872 -3.635 3.177 200 HG2 MET 69 1HG MET 69 6.524 -4.194 4.852 201 HG3 MET 69 2HG MET 69 6.888 -5.717 4.049 202 HE1 MET 69 3HE MET 69 7.464 -1.873 4.167 203 HE2 MET 69 1HE MET 69 8.225 -1.494 2.620 204 HE3 MET 69 2HE MET 69 6.512 -1.975 2.680 205 H VAL 70 H VAL 70 3.302 -6.577 1.701 206 HA VAL 70 HA VAL 70 1.107 -4.929 1.136 207 HB VAL 70 HB VAL 70 1.377 -7.814 0.225 208 HG11 VAL 70 1HG1 VAL 70 0.202 -7.103 -1.743 209 HG12 VAL 70 2HG1 VAL 70 -0.742 -6.752 -0.289 210 HG13 VAL 70 3HG1 VAL 70 0.120 -5.438 -1.133 211 HG21 VAL 70 3HG2 VAL 70 2.651 -7.018 -1.704 212 HG22 VAL 70 1HG2 VAL 70 2.748 -5.399 -0.976 213 HG23 VAL 70 2HG2 VAL 70 3.537 -6.791 -0.196 214 H GLU 71 H GLU 71 1.146 -8.227 2.611 215 HA GLU 71 HA GLU 71 -1.652 -8.205 3.036 216 HB2 GLU 71 1HB GLU 71 -1.220 -9.999 4.752 217 HB3 GLU 71 2HB GLU 71 -0.724 -10.328 3.078 218 HG2 GLU 71 1HG GLU 71 1.502 -10.152 3.529 219 HG3 GLU 71 2HG GLU 71 1.266 -9.205 4.973 220 H THR 72 H THR 72 1.007 -7.085 5.230 221 HA THR 72 HA THR 72 -0.671 -6.616 7.470 222 HB THR 72 HB THR 72 1.739 -5.032 6.543 223 HG1 THR 72 1HG THR 72 1.445 -7.144 8.429 224 HG21 THR 72 3HG2 THR 72 2.013 -4.466 8.966 225 HG22 THR 72 1HG2 THR 72 0.438 -5.216 9.318 226 HG23 THR 72 2HG2 THR 72 0.538 -3.769 8.294 227 H VAL 73 H VAL 73 0.211 -4.093 4.930 228 HA VAL 73 HA VAL 73 -1.717 -2.227 5.795 229 HB VAL 73 HB VAL 73 -0.833 -2.931 2.970 230 HG11 VAL 73 1HG1 VAL 73 -2.937 -1.549 2.877 231 HG12 VAL 73 2HG1 VAL 73 -2.101 -0.301 3.823 232 HG13 VAL 73 3HG1 VAL 73 -1.544 -0.739 2.206 233 HG21 VAL 73 3HG2 VAL 73 1.049 -2.249 4.269 234 HG22 VAL 73 1HG2 VAL 73 0.625 -0.947 3.156 235 HG23 VAL 73 2HG2 VAL 73 0.191 -0.800 4.860 236 H GLN 74 H GLN 74 -2.186 -4.894 3.454 237 HA GLN 74 HA GLN 74 -4.863 -4.298 2.800 238 HB2 GLN 74 1HB GLN 74 -3.451 -5.955 1.608 239 HB3 GLN 74 2HB GLN 74 -3.568 -7.040 2.978 240 HG2 GLN 74 1HG GLN 74 -5.085 -7.858 1.414 241 HG3 GLN 74 2HG GLN 74 -6.073 -7.114 2.652 242 HE21 GLN 74 2HE2 GLN 74 -6.727 -4.490 1.941 243 HE22 GLN 74 1HE2 GLN 74 -7.179 -4.509 0.257 244 H ASN 75 H ASN 75 -3.680 -6.318 5.519 245 HA ASN 75 HA ASN 75 -6.202 -7.300 6.448 246 HB2 ASN 75 1HB ASN 75 -3.645 -6.554 7.969 247 HB3 ASN 75 2HB ASN 75 -5.063 -7.197 8.738 248 HD21 ASN 75 2HD2 ASN 75 -2.180 -8.055 7.127 249 HD22 ASN 75 1HD2 ASN 75 -2.382 -9.746 7.475 250 H LEU 76 H LEU 76 -4.281 -4.365 7.188 251 HA LEU 76 HA LEU 76 -6.170 -3.326 9.069 252 HB2 LEU 76 1HB LEU 76 -3.868 -2.000 7.626 253 HB3 LEU 76 2HB LEU 76 -4.645 -1.406 9.100 254 HG LEU 76 HG LEU 76 -3.226 -4.099 8.979 255 HD11 LEU 76 1HD1 LEU 76 -1.310 -3.116 10.003 256 HD12 LEU 76 2HD1 LEU 76 -2.044 -1.481 9.900 257 HD13 LEU 76 3HD1 LEU 76 -1.612 -2.386 8.414 258 HD21 LEU 76 3HD2 LEU 76 -4.807 -3.923 10.775 259 HD22 LEU 76 1HD2 LEU 76 -4.047 -2.409 11.329 260 HD23 LEU 76 2HD2 LEU 76 -3.147 -3.948 11.369 261 H ALA 77 H ALA 77 -5.638 -2.807 5.617 262 HA ALA 77 HA ALA 77 -7.976 -0.989 5.470 263 HB1 ALA 77 3HB ALA 77 -6.956 -0.118 3.394 264 HB2 ALA 77 1HB ALA 77 -5.996 0.180 4.835 265 HB3 ALA 77 2HB ALA 77 -5.518 -1.110 3.697 266 HA PRO 78 HA PRO 78 -9.218 -4.815 3.113 267 HB2 PRO 78 2HB PRO 78 -11.780 -4.944 4.014 268 HB3 PRO 78 3HB PRO 78 -10.392 -5.562 4.975 269 HG2 PRO 78 2HG PRO 78 -11.800 -2.877 5.210 270 HG3 PRO 78 3HG PRO 78 -11.373 -4.031 6.522 271 HD2 PRO 78 2HD PRO 78 -9.787 -1.888 5.941 272 HD3 PRO 78 3HD PRO 78 -9.104 -3.479 6.415 273 H ASN 79 H ASN 79 -9.838 -1.587 2.992 274 HA ASN 79 HA ASN 79 -12.028 -1.545 0.971 275 HB2 ASN 79 1HB ASN 79 -12.245 0.088 2.705 276 HB3 ASN 79 2HB ASN 79 -10.531 0.491 2.643 277 HD21 ASN 79 2HD2 ASN 79 -13.280 0.384 0.251 278 HD22 ASN 79 1HD2 ASN 79 -12.669 1.778 -0.609 279 H LEU 80 H LEU 80 -8.538 -1.569 1.201 280 HA LEU 80 HA LEU 80 -8.232 -0.316 -1.464 281 HB2 LEU 80 1HB LEU 80 -6.282 -1.381 0.617 282 HB3 LEU 80 2HB LEU 80 -5.767 -0.753 -0.938 283 HG LEU 80 HG LEU 80 -7.260 0.812 1.216 284 HD11 LEU 80 1HD1 LEU 80 -4.780 0.148 1.550 285 HD12 LEU 80 2HD1 LEU 80 -5.205 1.868 1.672 286 HD13 LEU 80 3HD1 LEU 80 -4.453 1.269 0.207 287 HD21 LEU 80 3HD2 LEU 80 -6.685 2.830 -0.194 288 HD22 LEU 80 1HD2 LEU 80 -7.905 1.789 -0.918 289 HD23 LEU 80 2HD2 LEU 80 -6.232 1.737 -1.513 290 H HIS 81 H HIS 81 -7.008 -1.309 -3.160 291 HA HIS 81 HA HIS 81 -7.694 -4.123 -3.489 292 HB2 HIS 81 1HB HIS 81 -7.759 -2.262 -5.330 293 HB3 HIS 81 2HB HIS 81 -6.015 -2.348 -5.295 294 HD2 HIS 81 HD2 HIS 81 -9.033 -4.749 -5.950 295 HE1 HIS 81 HE1 HIS 81 -5.589 -6.311 -7.952 296 HE2 HIS 81 HE2 HIS 81 -8.107 -6.675 -7.474 297 HA PRO 82 HA PRO 82 -3.744 -5.408 -1.865 298 HB2 PRO 82 2HB PRO 82 -3.271 -7.743 -3.295 299 HB3 PRO 82 3HB PRO 82 -4.318 -7.594 -1.860 300 HG2 PRO 82 2HG PRO 82 -5.107 -7.589 -4.773 301 HG3 PRO 82 3HG PRO 82 -5.951 -8.358 -3.388 302 HD2 PRO 82 2HD PRO 82 -6.730 -6.009 -4.486 303 HD3 PRO 82 3HD PRO 82 -6.938 -6.345 -2.739 304 H GLU 83 H GLU 83 -4.152 -5.120 -5.403 305 HA GLU 83 HA GLU 83 -1.360 -5.274 -5.927 306 HB2 GLU 83 1HB GLU 83 -3.583 -5.624 -7.338 307 HB3 GLU 83 2HB GLU 83 -3.449 -3.890 -7.651 308 HG2 GLU 83 1HG GLU 83 -2.532 -4.830 -9.469 309 HG3 GLU 83 2HG GLU 83 -1.069 -4.488 -8.536 310 H GLN 84 H GLN 84 -3.646 -2.535 -5.423 311 HA GLN 84 HA GLN 84 -1.851 -0.421 -6.138 312 HB2 GLN 84 1HB GLN 84 -4.038 -0.533 -4.033 313 HB3 GLN 84 2HB GLN 84 -3.250 0.951 -4.567 314 HG2 GLN 84 1HG GLN 84 -4.192 0.730 -6.781 315 HG3 GLN 84 2HG GLN 84 -4.897 -0.840 -6.380 316 HE21 GLN 84 2HE2 GLN 84 -4.988 2.647 -5.613 317 HE22 GLN 84 1HE2 GLN 84 -6.601 2.701 -5.048 318 H ILE 85 H ILE 85 -2.356 -2.209 -3.093 319 HA ILE 85 HA ILE 85 -0.921 -0.627 -1.321 320 HB ILE 85 HB ILE 85 -1.342 -3.621 -1.433 321 HG12 ILE 85 1HG1 ILE 85 -2.664 -1.487 0.314 322 HG13 ILE 85 2HG1 ILE 85 -3.344 -2.082 -1.184 323 HG21 ILE 85 1HG2 ILE 85 -0.706 -3.669 0.948 324 HG22 ILE 85 2HG2 ILE 85 0.636 -3.226 -0.087 325 HG23 ILE 85 3HG2 ILE 85 -0.182 -1.964 0.832 326 HD11 ILE 85 3HD1 ILE 85 -4.413 -3.385 0.409 327 HD12 ILE 85 1HD1 ILE 85 -3.129 -4.442 -0.234 328 HD13 ILE 85 2HD1 ILE 85 -2.916 -3.635 1.330 329 H ARG 86 H ARG 86 0.401 -3.497 -3.144 330 HA ARG 86 HA ARG 86 3.042 -3.228 -2.363 331 HB2 ARG 86 1HB ARG 86 2.460 -5.111 -3.566 332 HB3 ARG 86 2HB ARG 86 1.718 -4.220 -4.883 333 HG2 ARG 86 1HG ARG 86 4.687 -3.878 -4.415 334 HG3 ARG 86 2HG ARG 86 4.115 -5.387 -5.134 335 HD2 ARG 86 1HD ARG 86 3.383 -4.419 -7.070 336 HD3 ARG 86 2HD ARG 86 2.936 -2.915 -6.332 337 HE ARG 86 HE ARG 86 5.095 -2.075 -6.448 338 HH11 ARG 86 1HH1 ARG 86 4.883 -5.364 -7.795 339 HH12 ARG 86 2HH1 ARG 86 6.299 -5.274 -8.742 340 HH21 ARG 86 1HH2 ARG 86 7.183 -1.995 -7.682 341 HH22 ARG 86 2HH2 ARG 86 7.535 -3.312 -8.752 342 H TYR 87 H TYR 87 1.530 -1.354 -5.083 343 HA TYR 87 HA TYR 87 3.974 -0.025 -5.713 344 HB2 TYR 87 2HB TYR 87 1.840 -0.182 -7.097 345 HB3 TYR 87 3HB TYR 87 1.154 1.050 -6.081 346 HD1 TYR 87 2HD TYR 87 4.676 0.827 -7.559 347 HD2 TYR 87 1HD TYR 87 0.873 2.885 -7.502 348 HE1 TYR 87 2HE TYR 87 5.559 2.500 -9.115 349 HE2 TYR 87 1HE TYR 87 1.766 4.567 -9.076 350 HH TYR 87 HH TYR 87 4.174 4.151 -10.993 351 H SER 88 H SER 88 1.330 0.800 -3.521 352 HA SER 88 HA SER 88 2.246 3.436 -2.824 353 HB2 SER 88 1HB SER 88 -0.023 2.667 -2.278 354 HB3 SER 88 2HB SER 88 0.623 1.480 -1.129 355 HG SER 88 HG SER 88 1.329 3.104 0.176 356 H LEU 89 H LEU 89 2.844 0.215 -1.374 357 HA LEU 89 HA LEU 89 4.514 1.015 0.752 358 HB2 LEU 89 1HB LEU 89 4.561 -1.515 -0.925 359 HB3 LEU 89 2HB LEU 89 5.439 -1.267 0.593 360 HG LEU 89 HG LEU 89 2.410 -1.049 0.440 361 HD11 LEU 89 1HD1 LEU 89 2.515 -3.330 1.465 362 HD12 LEU 89 2HD1 LEU 89 4.228 -3.419 0.962 363 HD13 LEU 89 3HD1 LEU 89 2.949 -3.261 -0.246 364 HD21 LEU 89 3HD2 LEU 89 3.310 0.048 2.344 365 HD22 LEU 89 1HD2 LEU 89 4.395 -1.301 2.710 366 HD23 LEU 89 2HD2 LEU 89 2.655 -1.511 2.864 367 H GLU 90 H GLU 90 5.336 0.360 -2.696 368 HA GLU 90 HA GLU 90 8.190 0.562 -2.250 369 HB2 GLU 90 1HB GLU 90 6.491 0.931 -4.760 370 HB3 GLU 90 2HB GLU 90 8.249 1.027 -4.711 371 HG2 GLU 90 1HG GLU 90 8.028 -1.365 -3.538 372 HG3 GLU 90 2HG GLU 90 6.465 -1.375 -4.340 373 H ASN 91 H ASN 91 5.679 2.852 -3.004 374 HA ASN 91 HA ASN 91 7.444 5.074 -3.620 375 HB2 ASN 91 1HB ASN 91 4.459 4.888 -3.107 376 HB3 ASN 91 2HB ASN 91 5.278 6.442 -3.201 377 HD21 ASN 91 2HD2 ASN 91 4.591 3.485 -5.110 378 HD22 ASN 91 1HD2 ASN 91 4.910 4.225 -6.658 379 H THR 92 H THR 92 5.314 4.379 -0.837 380 HA THR 92 HA THR 92 6.233 6.491 0.813 381 HB THR 92 HB THR 92 4.891 5.296 2.507 382 HG1 THR 92 1HG THR 92 4.427 3.311 0.559 383 HG21 THR 92 3HG2 THR 92 3.545 5.294 -0.233 384 HG22 THR 92 1HG2 THR 92 3.598 6.615 0.947 385 HG23 THR 92 2HG2 THR 92 2.745 5.111 1.334 386 H GLY 93 H GLY 93 7.106 2.997 0.711 387 HA2 GLY 93 1HA GLY 93 9.114 2.007 1.292 388 HA3 GLY 93 2HA GLY 93 9.672 3.467 2.093 389 H SER 94 H SER 94 6.628 3.157 3.362 390 HA SER 94 HA SER 94 7.363 1.144 5.399 391 HB2 SER 94 1HB SER 94 6.358 3.936 6.049 392 HB3 SER 94 2HB SER 94 6.899 2.677 7.178 393 HG SER 94 HG SER 94 8.562 4.159 6.868 394 H VAL 95 H VAL 95 5.718 -0.039 6.079 395 HA VAL 95 HA VAL 95 3.151 -0.075 4.809 396 HB VAL 95 HB VAL 95 4.279 -1.332 7.333 397 HG11 VAL 95 1HG1 VAL 95 2.426 -2.669 7.692 398 HG12 VAL 95 2HG1 VAL 95 1.908 -0.995 7.810 399 HG13 VAL 95 3HG1 VAL 95 1.500 -1.939 6.373 400 HG21 VAL 95 3HG2 VAL 95 3.362 -2.642 4.781 401 HG22 VAL 95 1HG2 VAL 95 5.047 -2.214 5.161 402 HG23 VAL 95 2HG2 VAL 95 4.193 -3.402 6.160 403 H GLU 96 H GLU 96 4.283 1.104 8.034 404 HA GLU 96 HA GLU 96 1.869 2.076 8.956 405 HB2 GLU 96 1HB GLU 96 3.024 3.241 10.565 406 HB3 GLU 96 2HB GLU 96 4.097 1.878 10.175 407 HG2 GLU 96 1HG GLU 96 5.539 3.349 8.847 408 HG3 GLU 96 2HG GLU 96 4.445 4.712 9.098 409 H GLU 97 H GLU 97 4.149 3.767 6.756 410 HA GLU 97 HA GLU 97 2.705 6.222 6.723 411 HB2 GLU 97 1HB GLU 97 5.016 6.051 5.913 412 HB3 GLU 97 2HB GLU 97 4.517 4.965 4.624 413 HG2 GLU 97 1HG GLU 97 4.862 7.229 3.747 414 HG3 GLU 97 2HG GLU 97 3.182 6.691 3.544 415 H THR 98 H THR 98 2.561 3.295 4.711 416 HA THR 98 HA THR 98 0.587 4.179 2.884 417 HB THR 98 HB THR 98 1.313 1.400 3.835 418 HG1 THR 98 1HG THR 98 3.027 2.495 2.785 419 HG21 THR 98 3HG2 THR 98 0.461 0.694 1.602 420 HG22 THR 98 1HG2 THR 98 -0.218 2.328 1.407 421 HG23 THR 98 2HG2 THR 98 -0.820 1.305 2.700 422 H VAL 99 H VAL 99 0.322 2.739 6.103 423 HA VAL 99 HA VAL 99 -2.566 2.496 6.007 424 HB VAL 99 HB VAL 99 -0.594 2.512 8.354 425 HG11 VAL 99 1HG1 VAL 99 -2.822 2.892 9.198 426 HG12 VAL 99 2HG1 VAL 99 -3.471 1.607 8.163 427 HG13 VAL 99 3HG1 VAL 99 -2.401 1.205 9.526 428 HG21 VAL 99 3HG2 VAL 99 -1.851 -0.050 7.379 429 HG22 VAL 99 1HG2 VAL 99 -0.466 0.575 6.505 430 HG23 VAL 99 2HG2 VAL 99 -0.331 0.223 8.227 431 H GLU 100 H GLU 100 -0.298 4.993 7.155 432 HA GLU 100 HA GLU 100 -2.257 6.646 8.459 433 HB2 GLU 100 1HB GLU 100 0.607 7.051 7.518 434 HB3 GLU 100 2HB GLU 100 -0.349 8.374 8.195 435 HG2 GLU 100 1HG GLU 100 -0.760 7.148 10.247 436 HG3 GLU 100 2HG GLU 100 0.102 5.739 9.649 437 H ARG 101 H ARG 101 -0.970 6.504 5.138 438 HA ARG 101 HA ARG 101 -2.361 8.981 4.407 439 HB2 ARG 101 1HB ARG 101 -1.581 8.508 2.171 440 HB3 ARG 101 2HB ARG 101 -0.251 8.381 3.337 441 HG2 ARG 101 1HG ARG 101 -0.764 5.859 3.323 442 HG3 ARG 101 2HG ARG 101 -1.736 6.184 1.915 443 HD2 ARG 101 1HD ARG 101 1.229 6.617 2.289 444 HD3 ARG 101 2HD ARG 101 0.464 5.411 1.240 445 HE ARG 101 HE ARG 101 0.516 8.326 0.895 446 HH11 ARG 101 1HH1 ARG 101 -0.197 5.134 -0.642 447 HH12 ARG 101 2HH1 ARG 101 -0.985 5.892 -1.993 448 HH21 ARG 101 1HH2 ARG 101 -0.628 9.195 -1.020 449 HH22 ARG 101 2HH2 ARG 101 -1.212 8.075 -2.191 450 H TYR 102 H TYR 102 -2.900 5.512 4.274 451 HA TYR 102 HA TYR 102 -5.214 5.471 2.596 452 HB2 TYR 102 2HB TYR 102 -4.362 3.436 3.029 453 HB3 TYR 102 3HB TYR 102 -4.098 3.706 4.738 454 HD1 TYR 102 1HD TYR 102 -6.967 3.447 2.297 455 HD2 TYR 102 2HD TYR 102 -5.527 2.878 6.314 456 HE1 TYR 102 1HE TYR 102 -9.104 2.409 2.906 457 HE2 TYR 102 2HE TYR 102 -7.641 1.848 6.953 458 HH TYR 102 HH TYR 102 -10.456 1.936 4.792 459 H LEU 103 H LEU 103 -5.078 5.594 6.188 460 HA LEU 103 HA LEU 103 -7.846 6.087 6.457 461 HB2 LEU 103 1HB LEU 103 -7.404 6.756 8.754 462 HB3 LEU 103 2HB LEU 103 -6.591 5.279 8.293 463 HG LEU 103 HG LEU 103 -4.512 6.846 7.872 464 HD11 LEU 103 1HD1 LEU 103 -6.152 8.519 9.825 465 HD12 LEU 103 2HD1 LEU 103 -5.513 9.048 8.263 466 HD13 LEU 103 3HD1 LEU 103 -4.401 8.704 9.571 467 HD21 LEU 103 3HD2 LEU 103 -3.844 6.531 10.274 468 HD22 LEU 103 1HD2 LEU 103 -4.474 5.089 9.481 469 HD23 LEU 103 2HD2 LEU 103 -5.507 5.997 10.611 470 H ARG 104 H ARG 104 -5.322 8.316 5.523 471 HA ARG 104 HA ARG 104 -7.029 10.648 6.143 472 HB2 ARG 104 1HB ARG 104 -5.278 11.994 5.856 473 HB3 ARG 104 2HB ARG 104 -4.364 10.523 6.092 474 HG2 ARG 104 1HG ARG 104 -4.413 10.377 3.476 475 HG3 ARG 104 2HG ARG 104 -4.921 12.049 3.519 476 HD2 ARG 104 1HD ARG 104 -2.399 11.023 4.888 477 HD3 ARG 104 2HD ARG 104 -2.425 11.606 3.214 478 HE ARG 104 HE ARG 104 -3.600 13.634 4.578 479 HH11 ARG 104 1HH1 ARG 104 -0.395 11.971 4.851 480 HH12 ARG 104 2HH1 ARG 104 0.336 13.321 5.617 481 HH21 ARG 104 1HH2 ARG 104 -2.534 15.374 5.649 482 HH22 ARG 104 2HH2 ARG 104 -0.833 15.289 6.004 483 H GLY 105 H GLY 105 -6.991 8.292 3.710 484 HA2 GLY 105 1HA GLY 105 -8.283 8.092 1.866 485 HA3 GLY 105 2HA GLY 105 -8.988 9.695 2.181 486 H ASP 106 H ASP 106 -5.487 8.953 1.789 487 HA ASP 106 HA ASP 106 -5.210 11.125 -0.115 488 HB2 ASP 106 1HB ASP 106 -3.456 10.259 1.518 489 HB3 ASP 106 2HB ASP 106 -3.210 8.910 0.420 490 H GLU 107 H GLU 107 -3.844 10.447 -2.291 491 HA GLU 107 HA GLU 107 -5.619 8.722 -3.899 492 HB2 GLU 107 1HB GLU 107 -3.098 10.337 -4.469 493 HB3 GLU 107 2HB GLU 107 -3.701 9.120 -5.594 494 HG2 GLU 107 1HG GLU 107 -5.982 10.457 -5.366 495 HG3 GLU 107 2HG GLU 107 -4.891 11.789 -4.946 496 H PHE 108 H PHE 108 -5.141 6.780 -4.823 497 HA PHE 108 HA PHE 108 -2.580 5.468 -4.098 498 HB2 PHE 108 2HB PHE 108 -5.378 4.491 -3.481 499 HB3 PHE 108 3HB PHE 108 -4.070 3.364 -3.840 500 HD1 PHE 108 2HD PHE 108 -5.051 6.050 -1.433 501 HD2 PHE 108 1HD PHE 108 -2.393 2.784 -2.342 502 HE1 PHE 108 2HE PHE 108 -4.246 6.066 0.881 503 HE2 PHE 108 1HE PHE 108 -1.782 2.621 0.042 504 HZ PHE 108 HZ PHE 108 -2.673 4.270 1.687 505 H SER 109 H SER 109 -1.777 5.293 -6.009 506 HA SER 109 HA SER 109 -3.404 4.564 -8.365 507 HB2 SER 109 1HB SER 109 -0.416 5.182 -8.188 508 HB3 SER 109 2HB SER 109 -1.414 5.173 -9.654 509 HG SER 109 HG SER 109 -0.995 7.290 -8.723 510 H PHE 110 H PHE 110 -2.453 2.857 -9.868 511 HA PHE 110 HA PHE 110 -1.856 0.411 -8.318 512 HB2 PHE 110 2HB PHE 110 -2.884 1.035 -11.103 513 HB3 PHE 110 3HB PHE 110 -2.283 -0.551 -10.727 514 HD1 PHE 110 1HD PHE 110 -4.893 1.953 -9.700 515 HD2 PHE 110 2HD PHE 110 -3.613 -2.167 -9.550 516 HE1 PHE 110 1HE PHE 110 -7.103 1.296 -8.827 517 HE2 PHE 110 2HE PHE 110 -5.818 -2.814 -8.672 518 HZ PHE 110 HZ PHE 110 -7.586 -1.092 -8.304 519 HA PRO 111 HA PRO 111 2.359 0.320 -9.614 520 HB2 PRO 111 2HB PRO 111 2.857 -2.354 -10.186 521 HB3 PRO 111 3HB PRO 111 2.685 -1.704 -8.537 522 HG2 PRO 111 2HG PRO 111 0.648 -3.128 -10.242 523 HG3 PRO 111 3HG PRO 111 0.977 -3.327 -8.494 524 HD2 PRO 111 2HD PRO 111 -1.102 -1.839 -9.467 525 HD3 PRO 111 3HD PRO 111 -0.270 -1.409 -7.955 526 HA PRO 112 HA PRO 112 2.706 0.568 -13.989 527 HB2 PRO 112 2HB PRO 112 5.238 -0.335 -14.599 528 HB3 PRO 112 3HB PRO 112 4.935 1.217 -13.765 529 HG2 PRO 112 2HG PRO 112 5.612 -1.464 -12.516 530 HG3 PRO 112 3HG PRO 112 6.386 0.119 -12.210 531 HD2 PRO 112 2HD PRO 112 4.469 -0.813 -10.562 532 HD3 PRO 112 3HD PRO 112 4.476 0.915 -11.024 533 H GLY 113 H GLY 113 2.541 -0.731 -15.918 534 HA2 GLY 113 1HA GLY 113 2.240 -2.644 -17.152 535 HA3 GLY 113 2HA GLY 113 2.947 -3.583 -15.835 536 H PHE 114 H PHE 114 0.537 -1.959 -14.226 537 HA PHE 114 HA PHE 114 -1.211 -4.283 -14.302 538 HB2 PHE 114 2HB PHE 114 -0.758 -3.008 -12.234 539 HB3 PHE 114 3HB PHE 114 -1.490 -1.570 -12.946 540 HD1 PHE 114 2HD PHE 114 -2.211 -5.067 -11.807 541 HD2 PHE 114 1HD PHE 114 -3.862 -1.303 -13.066 542 HE1 PHE 114 2HE PHE 114 -4.434 -5.777 -11.003 543 HE2 PHE 114 1HE PHE 114 -6.135 -2.057 -12.333 544 HZ PHE 114 HZ PHE 114 -6.403 -4.288 -11.267 545 H GLU 115 H GLU 115 -1.045 -1.175 -15.846 546 HA GLU 115 HA GLU 115 -3.842 -1.307 -16.773 547 HB2 GLU 115 1HB GLU 115 -3.625 0.947 -17.420 548 HB3 GLU 115 2HB GLU 115 -2.950 0.795 -15.797 549 HG2 GLU 115 1HG GLU 115 -0.641 0.780 -16.771 550 HG3 GLU 115 2HG GLU 115 -1.367 1.047 -18.380 Start of MODEL 6 1 H1 GLY 41 H GLY 41 -19.407 -7.852 -4.536 2 HA2 GLY 41 1HA GLY 41 -19.189 -5.788 -6.644 3 HA3 GLY 41 2HA GLY 41 -20.727 -6.292 -5.946 4 H ALA 42 H ALA 42 -21.466 -5.180 -4.175 5 HA ALA 42 HA ALA 42 -20.410 -2.783 -3.349 6 HB1 ALA 42 3HB ALA 42 -21.990 -2.883 -1.504 7 HB2 ALA 42 1HB ALA 42 -22.757 -3.550 -2.954 8 HB3 ALA 42 2HB ALA 42 -22.150 -4.636 -1.677 9 H MET 43 H MET 43 -18.585 -2.266 -2.354 10 HA MET 43 HA MET 43 -16.685 -2.362 -1.173 11 HB2 MET 43 1HB MET 43 -18.518 -3.486 0.977 12 HB3 MET 43 2HB MET 43 -16.888 -2.852 1.233 13 HG2 MET 43 1HG MET 43 -17.737 -0.719 0.023 14 HG3 MET 43 2HG MET 43 -19.349 -1.345 0.384 15 HE1 MET 43 3HE MET 43 -19.045 1.544 2.903 16 HE2 MET 43 1HE MET 43 -18.600 1.424 1.185 17 HE3 MET 43 2HE MET 43 -20.099 0.674 1.761 18 H GLY 44 H GLY 44 -17.446 -4.938 -2.699 19 HA2 GLY 44 1HA GLY 44 -15.245 -6.608 -1.596 20 HA3 GLY 44 2HA GLY 44 -16.827 -7.296 -1.992 21 HA PRO 45 HA PRO 45 -15.074 -5.690 -6.142 22 HB2 PRO 45 2HB PRO 45 -12.430 -5.020 -6.352 23 HB3 PRO 45 3HB PRO 45 -13.652 -3.872 -5.741 24 HG2 PRO 45 2HG PRO 45 -11.780 -5.633 -4.130 25 HG3 PRO 45 3HG PRO 45 -12.117 -3.883 -3.940 26 HD2 PRO 45 2HD PRO 45 -13.366 -5.803 -2.435 27 HD3 PRO 45 3HD PRO 45 -14.177 -4.283 -2.903 28 H GLN 46 H GLN 46 -13.277 -6.687 -7.712 29 HA GLN 46 HA GLN 46 -13.464 -9.506 -7.420 30 HB2 GLN 46 1HB GLN 46 -12.216 -9.646 -9.438 31 HB3 GLN 46 2HB GLN 46 -13.365 -8.339 -9.594 32 HG2 GLN 46 1HG GLN 46 -10.369 -8.083 -9.123 33 HG3 GLN 46 2HG GLN 46 -11.197 -7.839 -10.647 34 HE21 GLN 46 2HE2 GLN 46 -12.925 -6.070 -10.657 35 HE22 GLN 46 1HE2 GLN 46 -12.542 -4.616 -9.732 36 H GLY 47 H GLY 47 -11.355 -10.928 -7.704 37 HA2 GLY 47 1HA GLY 47 -9.210 -10.054 -5.820 38 HA3 GLY 47 2HA GLY 47 -10.098 -11.559 -5.527 39 H SER 48 H SER 48 -8.863 -9.936 -8.478 40 HA SER 48 HA SER 48 -7.907 -12.496 -9.578 41 HB2 SER 48 1HB SER 48 -9.086 -10.771 -10.988 42 HB3 SER 48 2HB SER 48 -7.724 -9.670 -10.715 43 HG SER 48 HG SER 48 -7.449 -10.771 -12.643 44 H THR 49 H THR 49 -6.103 -13.141 -8.410 45 HA THR 49 HA THR 49 -4.250 -11.285 -7.236 46 HB THR 49 HB THR 49 -4.364 -13.327 -6.154 47 HG1 THR 49 1HG THR 49 -2.141 -12.673 -6.554 48 HG21 THR 49 3HG2 THR 49 -3.865 -14.820 -8.745 49 HG22 THR 49 1HG2 THR 49 -5.402 -14.785 -7.833 50 HG23 THR 49 2HG2 THR 49 -3.976 -15.539 -7.129 51 H GLN 50 H GLN 50 -4.592 -12.666 -10.417 52 HA GLN 50 HA GLN 50 -3.358 -12.633 -12.298 53 HB2 GLN 50 1HB GLN 50 -4.612 -10.442 -12.084 54 HB3 GLN 50 2HB GLN 50 -3.079 -9.702 -11.616 55 HG2 GLN 50 1HG GLN 50 -2.097 -10.447 -13.807 56 HG3 GLN 50 2HG GLN 50 -3.652 -11.160 -14.244 57 HE21 GLN 50 2HE2 GLN 50 -5.416 -9.707 -14.896 58 HE22 GLN 50 1HE2 GLN 50 -5.004 -8.038 -15.270 59 H ASN 51 H ASN 51 -1.764 -13.819 -10.703 60 HA ASN 51 HA ASN 51 0.731 -12.617 -10.032 61 HB2 ASN 51 1HB ASN 51 1.420 -14.820 -9.470 62 HB3 ASN 51 2HB ASN 51 -0.314 -14.829 -9.166 63 HD21 ASN 51 2HD2 ASN 51 2.270 -16.414 -10.910 64 HD22 ASN 51 1HD2 ASN 51 1.239 -17.399 -11.918 65 H ALA 52 H ALA 52 2.800 -13.565 -10.827 66 HA ALA 52 HA ALA 52 3.024 -14.024 -13.738 67 HB1 ALA 52 3HB ALA 52 4.554 -12.015 -12.025 68 HB2 ALA 52 1HB ALA 52 5.008 -12.465 -13.674 69 HB3 ALA 52 2HB ALA 52 3.468 -11.646 -13.373 70 H LEU 53 H LEU 53 5.660 -14.615 -13.866 71 HA LEU 53 HA LEU 53 6.367 -16.359 -11.575 72 HB2 LEU 53 1HB LEU 53 6.750 -18.259 -12.942 73 HB3 LEU 53 2HB LEU 53 5.054 -17.819 -12.948 74 HG LEU 53 HG LEU 53 6.757 -16.795 -15.234 75 HD11 LEU 53 1HD1 LEU 53 7.512 -19.118 -15.048 76 HD12 LEU 53 2HD1 LEU 53 6.471 -18.906 -16.463 77 HD13 LEU 53 3HD1 LEU 53 5.820 -19.681 -15.008 78 HD21 LEU 53 3HD2 LEU 53 3.947 -17.988 -15.112 79 HD22 LEU 53 1HD2 LEU 53 4.724 -17.274 -16.535 80 HD23 LEU 53 2HD2 LEU 53 4.323 -16.258 -15.147 81 H ARG 54 H ARG 54 7.409 -13.945 -12.471 82 HA ARG 54 HA ARG 54 10.256 -14.611 -12.658 83 HB2 ARG 54 1HB ARG 54 10.750 -13.470 -14.720 84 HB3 ARG 54 2HB ARG 54 9.471 -14.631 -15.081 85 HG2 ARG 54 1HG ARG 54 7.817 -12.679 -14.684 86 HG3 ARG 54 2HG ARG 54 9.229 -11.614 -14.707 87 HD2 ARG 54 1HD ARG 54 9.738 -12.296 -17.008 88 HD3 ARG 54 2HD ARG 54 8.361 -13.425 -16.986 89 HE ARG 54 HE ARG 54 7.297 -11.037 -16.139 90 HH11 ARG 54 1HH1 ARG 54 8.897 -12.021 -19.192 91 HH12 ARG 54 2HH1 ARG 54 7.759 -11.123 -20.144 92 HH21 ARG 54 1HH2 ARG 54 6.176 -9.647 -17.339 93 HH22 ARG 54 2HH2 ARG 54 6.264 -9.609 -19.075 94 H ARG 55 H ARG 55 11.591 -12.489 -12.566 95 HA ARG 55 HA ARG 55 10.040 -10.244 -11.378 96 HB2 ARG 55 1HB ARG 55 11.160 -11.885 -9.715 97 HB3 ARG 55 2HB ARG 55 12.685 -11.174 -10.230 98 HG2 ARG 55 1HG ARG 55 11.850 -10.208 -8.166 99 HG3 ARG 55 2HG ARG 55 11.903 -8.955 -9.413 100 HD2 ARG 55 1HD ARG 55 9.541 -8.888 -9.586 101 HD3 ARG 55 2HD ARG 55 9.333 -10.494 -8.895 102 HE ARG 55 HE ARG 55 9.804 -7.942 -7.469 103 HH11 ARG 55 1HH1 ARG 55 9.034 -11.423 -7.211 104 HH12 ARG 55 2HH1 ARG 55 8.908 -11.409 -5.505 105 HH21 ARG 55 1HH2 ARG 55 9.320 -7.869 -5.233 106 HH22 ARG 55 2HH2 ARG 55 9.000 -9.332 -4.362 107 H THR 56 H THR 56 10.243 -8.665 -12.902 108 HA THR 56 HA THR 56 12.636 -8.552 -14.592 109 HB THR 56 HB THR 56 10.488 -6.474 -14.347 110 HG1 THR 56 1HG THR 56 9.454 -7.597 -16.080 111 HG21 THR 56 3HG2 THR 56 10.945 -6.030 -16.689 112 HG22 THR 56 1HG2 THR 56 12.125 -7.362 -16.740 113 HG23 THR 56 2HG2 THR 56 12.432 -5.911 -15.749 114 H GLY 57 H GLY 57 11.086 -6.650 -11.968 115 HA2 GLY 57 1HA GLY 57 11.968 -5.225 -10.422 116 HA3 GLY 57 2HA GLY 57 13.589 -5.843 -10.823 117 H ARG 58 H ARG 58 13.852 -3.440 -10.320 118 HA ARG 58 HA ARG 58 14.160 -1.892 -12.781 119 HB2 ARG 58 1HB ARG 58 12.553 -1.048 -10.310 120 HB3 ARG 58 2HB ARG 58 13.266 0.143 -11.394 121 HG2 ARG 58 1HG ARG 58 11.897 -0.443 -13.213 122 HG3 ARG 58 2HG ARG 58 11.429 -1.991 -12.513 123 HD2 ARG 58 1HD ARG 58 10.115 -0.951 -10.787 124 HD3 ARG 58 2HD ARG 58 10.554 0.654 -11.400 125 HE ARG 58 HE ARG 58 8.795 -1.389 -12.691 126 HH11 ARG 58 1HH1 ARG 58 9.823 1.976 -12.726 127 HH12 ARG 58 2HH1 ARG 58 9.453 2.215 -14.424 128 HH21 ARG 58 1HH2 ARG 58 7.973 -1.001 -14.728 129 HH22 ARG 58 2HH2 ARG 58 8.046 0.585 -15.451 130 H VAL 59 H VAL 59 15.620 0.068 -12.099 131 HA VAL 59 HA VAL 59 17.497 -0.835 -9.949 132 HB VAL 59 HB VAL 59 18.095 0.666 -12.522 133 HG11 VAL 59 1HG1 VAL 59 19.932 -0.176 -10.236 134 HG12 VAL 59 2HG1 VAL 59 20.468 0.443 -11.811 135 HG13 VAL 59 3HG1 VAL 59 19.551 1.490 -10.730 136 HG21 VAL 59 3HG2 VAL 59 19.453 -1.378 -13.014 137 HG22 VAL 59 1HG2 VAL 59 18.803 -2.147 -11.559 138 HG23 VAL 59 2HG2 VAL 59 17.731 -1.734 -12.918 139 H ASN 60 H ASN 60 16.193 2.055 -11.616 140 HA ASN 60 HA ASN 60 16.525 3.712 -9.188 141 HB2 ASN 60 1HB ASN 60 15.762 4.469 -12.041 142 HB3 ASN 60 2HB ASN 60 16.027 5.571 -10.702 143 HD21 ASN 60 2HD2 ASN 60 18.125 5.949 -9.911 144 HD22 ASN 60 1HD2 ASN 60 19.560 5.450 -10.777 145 H GLY 61 H GLY 61 14.486 1.660 -8.971 146 HA2 GLY 61 1HA GLY 61 11.866 2.859 -9.556 147 HA3 GLY 61 2HA GLY 61 12.206 1.273 -8.828 148 H GLY 62 H GLY 62 10.508 1.985 -7.265 149 HA2 GLY 62 1HA GLY 62 10.995 4.161 -5.445 150 HA3 GLY 62 2HA GLY 62 9.776 2.892 -5.268 151 H HIS 63 H HIS 63 10.131 1.408 -3.615 152 HA HIS 63 HA HIS 63 12.909 1.069 -2.598 153 HB2 HIS 63 1HB HIS 63 10.359 1.632 -1.051 154 HB3 HIS 63 2HB HIS 63 11.802 0.954 -0.299 155 HD1 HIS 63 HD1 HIS 63 14.082 2.562 -0.364 156 HD2 HIS 63 HD2 HIS 63 10.425 4.276 -1.619 157 HE1 HIS 63 HE1 HIS 63 14.457 5.064 -0.502 158 HA PRO 64 HA PRO 64 11.995 -3.220 -2.946 159 HB2 PRO 64 2HB PRO 64 13.615 -4.380 -1.108 160 HB3 PRO 64 3HB PRO 64 14.247 -3.573 -2.575 161 HG2 PRO 64 2HG PRO 64 14.103 -2.468 0.240 162 HG3 PRO 64 3HG PRO 64 15.440 -2.350 -0.948 163 HD2 PRO 64 2HD PRO 64 13.583 -0.358 -0.523 164 HD3 PRO 64 3HD PRO 64 14.394 -0.627 -2.096 165 H VAL 65 H VAL 65 10.165 -4.226 -2.278 166 HA VAL 65 HA VAL 65 9.430 -4.231 0.634 167 HB VAL 65 HB VAL 65 7.145 -3.943 0.105 168 HG11 VAL 65 1HG1 VAL 65 7.131 -1.653 -0.819 169 HG12 VAL 65 2HG1 VAL 65 8.461 -1.872 0.331 170 HG13 VAL 65 3HG1 VAL 65 8.759 -1.846 -1.416 171 HG21 VAL 65 3HG2 VAL 65 6.971 -5.114 -2.065 172 HG22 VAL 65 1HG2 VAL 65 6.226 -3.511 -2.106 173 HG23 VAL 65 2HG2 VAL 65 7.808 -3.763 -2.856 174 H THR 66 H THR 66 8.036 -6.019 1.262 175 HA THR 66 HA THR 66 8.573 -8.531 -0.222 176 HB THR 66 HB THR 66 8.378 -9.384 2.276 177 HG1 THR 66 1HG THR 66 9.653 -7.044 3.001 178 HG21 THR 66 3HG2 THR 66 10.829 -9.088 2.579 179 HG22 THR 66 1HG2 THR 66 10.854 -7.945 1.215 180 HG23 THR 66 2HG2 THR 66 10.409 -9.644 0.949 181 H THR 67 H THR 67 6.868 -10.257 0.630 182 HA THR 67 HA THR 67 4.314 -9.273 -0.154 183 HB THR 67 HB THR 67 4.703 -11.834 1.412 184 HG1 THR 67 1HG THR 67 5.156 -12.770 -0.650 185 HG21 THR 67 3HG2 THR 67 2.974 -12.639 -0.166 186 HG22 THR 67 1HG2 THR 67 3.029 -11.098 -1.042 187 HG23 THR 67 2HG2 THR 67 2.431 -11.168 0.631 188 H GLN 68 H GLN 68 5.754 -10.028 3.039 189 HA GLN 68 HA GLN 68 3.535 -9.828 4.665 190 HB2 GLN 68 1HB GLN 68 5.058 -9.280 6.462 191 HB3 GLN 68 2HB GLN 68 5.715 -10.555 5.464 192 HG2 GLN 68 1HG GLN 68 6.758 -8.136 4.360 193 HG3 GLN 68 2HG GLN 68 6.789 -7.887 6.089 194 HE21 GLN 68 2HE2 GLN 68 7.350 -11.051 4.365 195 HE22 GLN 68 1HE2 GLN 68 9.048 -11.092 4.782 196 H MET 69 H MET 69 5.461 -7.063 3.312 197 HA MET 69 HA MET 69 4.165 -5.117 4.934 198 HB2 MET 69 1HB MET 69 5.463 -4.989 2.183 199 HB3 MET 69 2HB MET 69 4.969 -3.562 3.120 200 HG2 MET 69 1HG MET 69 6.535 -4.160 4.909 201 HG3 MET 69 2HG MET 69 6.967 -5.646 4.075 202 HE1 MET 69 3HE MET 69 7.400 -1.789 4.287 203 HE2 MET 69 1HE MET 69 8.320 -1.394 2.823 204 HE3 MET 69 2HE MET 69 6.609 -1.849 2.690 205 H VAL 70 H VAL 70 3.339 -6.570 1.775 206 HA VAL 70 HA VAL 70 1.140 -4.921 1.186 207 HB VAL 70 HB VAL 70 1.484 -7.779 0.224 208 HG11 VAL 70 1HG1 VAL 70 -0.644 -6.633 -0.274 209 HG12 VAL 70 2HG1 VAL 70 0.287 -5.411 -1.184 210 HG13 VAL 70 3HG1 VAL 70 0.294 -7.110 -1.697 211 HG21 VAL 70 3HG2 VAL 70 3.617 -6.656 -0.151 212 HG22 VAL 70 1HG2 VAL 70 2.764 -6.974 -1.657 213 HG23 VAL 70 2HG2 VAL 70 2.781 -5.331 -0.990 214 H GLU 71 H GLU 71 1.204 -8.245 2.590 215 HA GLU 71 HA GLU 71 -1.623 -8.281 3.001 216 HB2 GLU 71 1HB GLU 71 -1.103 -10.033 4.783 217 HB3 GLU 71 2HB GLU 71 -0.702 -10.407 3.099 218 HG2 GLU 71 1HG GLU 71 1.541 -10.099 3.411 219 HG3 GLU 71 2HG GLU 71 1.356 -9.254 4.929 220 H THR 72 H THR 72 1.028 -7.059 5.151 221 HA THR 72 HA THR 72 -0.601 -6.609 7.391 222 HB THR 72 HB THR 72 1.735 -4.901 6.481 223 HG1 THR 72 1HG THR 72 2.404 -7.013 6.671 224 HG21 THR 72 3HG2 THR 72 0.466 -5.421 9.214 225 HG22 THR 72 1HG2 THR 72 0.455 -3.878 8.348 226 HG23 THR 72 2HG2 THR 72 1.990 -4.534 8.939 227 H VAL 73 H VAL 73 0.199 -4.062 4.837 228 HA VAL 73 HA VAL 73 -1.697 -2.219 5.808 229 HB VAL 73 HB VAL 73 -1.089 -2.669 2.874 230 HG11 VAL 73 1HG1 VAL 73 -1.725 -0.411 2.491 231 HG12 VAL 73 2HG1 VAL 73 -2.997 -1.052 3.520 232 HG13 VAL 73 3HG1 VAL 73 -1.764 -0.024 4.230 233 HG21 VAL 73 3HG2 VAL 73 0.628 -0.924 3.085 234 HG22 VAL 73 1HG2 VAL 73 0.390 -0.881 4.844 235 HG23 VAL 73 2HG2 VAL 73 1.025 -2.341 4.060 236 H GLN 74 H GLN 74 -2.212 -4.890 3.423 237 HA GLN 74 HA GLN 74 -4.915 -4.414 2.909 238 HB2 GLN 74 1HB GLN 74 -3.456 -6.125 1.827 239 HB3 GLN 74 2HB GLN 74 -3.717 -7.171 3.211 240 HG2 GLN 74 1HG GLN 74 -5.255 -7.930 1.638 241 HG3 GLN 74 2HG GLN 74 -6.222 -6.996 2.754 242 HE21 GLN 74 2HE2 GLN 74 -6.794 -4.575 1.937 243 HE22 GLN 74 1HE2 GLN 74 -7.004 -4.496 0.197 244 H ASN 75 H ASN 75 -3.608 -6.171 5.675 245 HA ASN 75 HA ASN 75 -6.198 -6.981 6.734 246 HB2 ASN 75 1HB ASN 75 -3.468 -6.666 8.072 247 HB3 ASN 75 2HB ASN 75 -4.911 -7.115 8.958 248 HD21 ASN 75 2HD2 ASN 75 -2.652 -8.195 6.506 249 HD22 ASN 75 1HD2 ASN 75 -2.866 -9.887 6.801 250 H LEU 76 H LEU 76 -4.158 -4.069 7.108 251 HA LEU 76 HA LEU 76 -5.997 -3.008 9.187 252 HB2 LEU 76 1HB LEU 76 -3.682 -1.559 7.890 253 HB3 LEU 76 2HB LEU 76 -4.529 -1.166 9.373 254 HG LEU 76 HG LEU 76 -2.461 -3.311 8.839 255 HD11 LEU 76 1HD1 LEU 76 -1.390 -2.415 10.801 256 HD12 LEU 76 2HD1 LEU 76 -2.791 -1.372 11.140 257 HD13 LEU 76 3HD1 LEU 76 -1.791 -1.101 9.702 258 HD21 LEU 76 3HD2 LEU 76 -2.824 -4.288 11.112 259 HD22 LEU 76 1HD2 LEU 76 -4.073 -4.711 9.965 260 HD23 LEU 76 2HD2 LEU 76 -4.391 -3.447 11.179 261 H ALA 77 H ALA 77 -5.809 -2.983 5.769 262 HA ALA 77 HA ALA 77 -7.885 -0.882 5.562 263 HB1 ALA 77 3HB ALA 77 -5.272 -0.991 4.015 264 HB2 ALA 77 1HB ALA 77 -6.632 0.091 3.649 265 HB3 ALA 77 2HB ALA 77 -5.736 0.213 5.187 266 HA PRO 78 HA PRO 78 -8.708 -4.852 3.216 267 HB2 PRO 78 2HB PRO 78 -11.311 -5.224 3.979 268 HB3 PRO 78 3HB PRO 78 -9.919 -5.696 5.011 269 HG2 PRO 78 2HG PRO 78 -11.531 -3.114 5.135 270 HG3 PRO 78 3HG PRO 78 -11.138 -4.231 6.479 271 HD2 PRO 78 2HD PRO 78 -9.647 -2.032 6.040 272 HD3 PRO 78 3HD PRO 78 -8.868 -3.577 6.504 273 H ASN 79 H ASN 79 -10.016 -1.674 3.274 274 HA ASN 79 HA ASN 79 -11.878 -1.892 1.048 275 HB2 ASN 79 1HB ASN 79 -11.706 -0.242 3.152 276 HB3 ASN 79 2HB ASN 79 -10.752 0.702 2.007 277 HD21 ASN 79 2HD2 ASN 79 -11.973 0.626 -0.340 278 HD22 ASN 79 1HD2 ASN 79 -13.641 1.151 -0.219 279 H LEU 80 H LEU 80 -8.450 -1.851 1.147 280 HA LEU 80 HA LEU 80 -8.214 -0.330 -1.392 281 HB2 LEU 80 1HB LEU 80 -6.295 -1.357 0.670 282 HB3 LEU 80 2HB LEU 80 -5.706 -0.838 -0.894 283 HG LEU 80 HG LEU 80 -7.170 0.884 1.147 284 HD11 LEU 80 1HD1 LEU 80 -4.914 2.052 1.205 285 HD12 LEU 80 2HD1 LEU 80 -4.275 0.720 0.231 286 HD13 LEU 80 3HD1 LEU 80 -4.905 0.401 1.845 287 HD21 LEU 80 3HD2 LEU 80 -7.769 1.758 -1.026 288 HD22 LEU 80 1HD2 LEU 80 -6.092 1.609 -1.611 289 HD23 LEU 80 2HD2 LEU 80 -6.515 2.803 -0.367 290 H HIS 81 H HIS 81 -7.103 -1.159 -3.198 291 HA HIS 81 HA HIS 81 -7.809 -3.813 -3.947 292 HB2 HIS 81 1HB HIS 81 -7.592 -1.690 -5.359 293 HB3 HIS 81 2HB HIS 81 -5.856 -1.882 -5.238 294 HD2 HIS 81 HD2 HIS 81 -8.933 -3.175 -7.061 295 HE1 HIS 81 HE1 HIS 81 -5.570 -5.329 -8.585 296 HE2 HIS 81 HE2 HIS 81 -8.057 -4.835 -8.940 297 HA PRO 82 HA PRO 82 -4.179 -5.811 -2.419 298 HB2 PRO 82 2HB PRO 82 -4.020 -8.047 -4.040 299 HB3 PRO 82 3HB PRO 82 -5.189 -7.813 -2.720 300 HG2 PRO 82 2HG PRO 82 -5.605 -7.414 -5.673 301 HG3 PRO 82 3HG PRO 82 -6.713 -8.159 -4.463 302 HD2 PRO 82 2HD PRO 82 -6.878 -5.548 -5.355 303 HD3 PRO 82 3HD PRO 82 -7.479 -6.058 -3.771 304 H GLU 83 H GLU 83 -4.148 -4.766 -5.896 305 HA GLU 83 HA GLU 83 -1.293 -5.264 -6.133 306 HB2 GLU 83 1HB GLU 83 -3.607 -4.390 -7.837 307 HB3 GLU 83 2HB GLU 83 -2.057 -3.880 -8.335 308 HG2 GLU 83 1HG GLU 83 -2.059 -6.689 -7.573 309 HG3 GLU 83 2HG GLU 83 -3.317 -6.315 -8.790 310 H GLN 84 H GLN 84 -3.563 -2.479 -5.747 311 HA GLN 84 HA GLN 84 -1.681 -0.414 -6.186 312 HB2 GLN 84 1HB GLN 84 -4.054 -0.520 -4.289 313 HB3 GLN 84 2HB GLN 84 -3.169 0.947 -4.711 314 HG2 GLN 84 1HG GLN 84 -3.826 0.789 -7.045 315 HG3 GLN 84 2HG GLN 84 -4.658 -0.737 -6.753 316 HE21 GLN 84 2HE2 GLN 84 -4.616 2.642 -5.488 317 HE22 GLN 84 1HE2 GLN 84 -6.314 2.793 -5.274 318 H ILE 85 H ILE 85 -2.346 -2.358 -3.253 319 HA ILE 85 HA ILE 85 -0.964 -0.883 -1.380 320 HB ILE 85 HB ILE 85 -1.229 -3.873 -1.583 321 HG12 ILE 85 1HG1 ILE 85 -2.730 -1.949 0.232 322 HG13 ILE 85 2HG1 ILE 85 -3.320 -2.307 -1.363 323 HG21 ILE 85 1HG2 ILE 85 0.629 -3.281 -0.060 324 HG22 ILE 85 2HG2 ILE 85 -0.371 -2.060 0.737 325 HG23 ILE 85 3HG2 ILE 85 -0.761 -3.784 0.900 326 HD11 ILE 85 3HD1 ILE 85 -4.437 -3.869 -0.037 327 HD12 ILE 85 1HD1 ILE 85 -3.125 -4.826 -0.731 328 HD13 ILE 85 2HD1 ILE 85 -2.993 -4.221 0.938 329 H ARG 86 H ARG 86 0.458 -3.612 -3.324 330 HA ARG 86 HA ARG 86 3.072 -3.249 -2.406 331 HB2 ARG 86 1HB ARG 86 2.792 -5.158 -3.620 332 HB3 ARG 86 2HB ARG 86 1.871 -4.373 -4.888 333 HG2 ARG 86 1HG ARG 86 4.814 -3.721 -4.598 334 HG3 ARG 86 2HG ARG 86 4.330 -5.250 -5.331 335 HD2 ARG 86 1HD ARG 86 3.371 -4.297 -7.177 336 HD3 ARG 86 2HD ARG 86 2.892 -2.848 -6.378 337 HE ARG 86 HE ARG 86 5.087 -1.946 -6.550 338 HH11 ARG 86 1HH1 ARG 86 4.588 -4.968 -8.467 339 HH12 ARG 86 2HH1 ARG 86 5.902 -4.655 -9.528 340 HH21 ARG 86 1HH2 ARG 86 6.924 -1.629 -8.027 341 HH22 ARG 86 2HH2 ARG 86 7.104 -2.686 -9.386 342 H TYR 87 H TYR 87 1.533 -1.413 -5.091 343 HA TYR 87 HA TYR 87 3.916 -0.009 -5.773 344 HB2 TYR 87 2HB TYR 87 1.801 -0.183 -7.126 345 HB3 TYR 87 3HB TYR 87 1.035 0.934 -6.034 346 HD1 TYR 87 2HD TYR 87 4.383 0.825 -7.866 347 HD2 TYR 87 1HD TYR 87 0.854 3.097 -6.834 348 HE1 TYR 87 2HE TYR 87 5.247 2.750 -9.145 349 HE2 TYR 87 1HE TYR 87 1.748 5.029 -8.107 350 HH TYR 87 HH TYR 87 4.936 5.059 -9.589 351 H SER 88 H SER 88 1.270 0.768 -3.535 352 HA SER 88 HA SER 88 2.272 3.333 -2.858 353 HB2 SER 88 1HB SER 88 0.843 3.171 -0.829 354 HB3 SER 88 2HB SER 88 0.073 2.972 -2.390 355 HG SER 88 HG SER 88 0.714 0.542 -1.528 356 H LEU 89 H LEU 89 2.856 0.161 -1.344 357 HA LEU 89 HA LEU 89 4.558 1.021 0.752 358 HB2 LEU 89 1HB LEU 89 4.637 -1.519 -0.927 359 HB3 LEU 89 2HB LEU 89 5.502 -1.282 0.593 360 HG LEU 89 HG LEU 89 2.474 -1.077 0.418 361 HD11 LEU 89 1HD1 LEU 89 4.277 -3.453 0.929 362 HD12 LEU 89 2HD1 LEU 89 3.015 -3.258 -0.295 363 HD13 LEU 89 3HD1 LEU 89 2.555 -3.355 1.406 364 HD21 LEU 89 3HD2 LEU 89 2.742 -1.610 2.858 365 HD22 LEU 89 1HD2 LEU 89 3.218 0.002 2.314 366 HD23 LEU 89 2HD2 LEU 89 4.461 -1.212 2.689 367 H GLU 90 H GLU 90 5.252 0.400 -2.713 368 HA GLU 90 HA GLU 90 8.139 0.605 -2.403 369 HB2 GLU 90 1HB GLU 90 6.297 0.945 -4.818 370 HB3 GLU 90 2HB GLU 90 8.024 1.218 -4.878 371 HG2 GLU 90 1HG GLU 90 8.229 -1.197 -3.888 372 HG3 GLU 90 2HG GLU 90 6.560 -1.385 -4.389 373 H ASN 91 H ASN 91 5.533 2.878 -2.910 374 HA ASN 91 HA ASN 91 7.269 5.176 -3.465 375 HB2 ASN 91 1HB ASN 91 4.294 4.847 -3.070 376 HB3 ASN 91 2HB ASN 91 5.041 6.436 -3.111 377 HD21 ASN 91 2HD2 ASN 91 4.605 3.435 -5.057 378 HD22 ASN 91 1HD2 ASN 91 4.936 4.239 -6.580 379 H THR 92 H THR 92 5.408 4.080 -0.552 380 HA THR 92 HA THR 92 6.183 6.393 1.016 381 HB THR 92 HB THR 92 4.897 5.151 2.736 382 HG1 THR 92 1HG THR 92 3.851 3.181 1.904 383 HG21 THR 92 3HG2 THR 92 3.474 5.145 0.036 384 HG22 THR 92 1HG2 THR 92 3.601 6.534 1.142 385 HG23 THR 92 2HG2 THR 92 2.708 5.070 1.629 386 H GLY 93 H GLY 93 7.140 3.015 0.661 387 HA2 GLY 93 1HA GLY 93 9.145 2.005 1.171 388 HA3 GLY 93 2HA GLY 93 9.633 3.402 2.147 389 H SER 94 H SER 94 6.603 2.939 3.362 390 HA SER 94 HA SER 94 7.232 0.635 5.090 391 HB2 SER 94 1HB SER 94 6.570 3.383 6.168 392 HB3 SER 94 2HB SER 94 6.874 1.884 7.084 393 HG SER 94 HG SER 94 8.673 2.967 7.212 394 H VAL 95 H VAL 95 5.535 -0.213 6.082 395 HA VAL 95 HA VAL 95 2.949 -0.213 4.886 396 HB VAL 95 HB VAL 95 3.946 -1.196 7.595 397 HG11 VAL 95 1HG1 VAL 95 1.556 -2.421 6.261 398 HG12 VAL 95 2HG1 VAL 95 2.141 -2.487 7.933 399 HG13 VAL 95 3HG1 VAL 95 1.370 -1.029 7.355 400 HG21 VAL 95 3HG2 VAL 95 4.128 -3.394 6.519 401 HG22 VAL 95 1HG2 VAL 95 3.684 -2.649 4.958 402 HG23 VAL 95 2HG2 VAL 95 5.203 -2.202 5.781 403 H GLU 96 H GLU 96 4.148 1.045 7.983 404 HA GLU 96 HA GLU 96 2.015 2.151 9.194 405 HB2 GLU 96 1HB GLU 96 3.658 3.503 10.365 406 HB3 GLU 96 2HB GLU 96 4.342 1.906 10.003 407 HG2 GLU 96 1HG GLU 96 5.312 3.127 7.894 408 HG3 GLU 96 2HG GLU 96 5.061 4.595 8.796 409 H GLU 97 H GLU 97 4.093 3.866 6.926 410 HA GLU 97 HA GLU 97 2.541 6.247 6.898 411 HB2 GLU 97 1HB GLU 97 4.894 6.203 6.207 412 HB3 GLU 97 2HB GLU 97 4.509 5.174 4.820 413 HG2 GLU 97 1HG GLU 97 4.825 7.500 4.149 414 HG3 GLU 97 2HG GLU 97 3.204 6.951 3.784 415 H THR 98 H THR 98 2.516 3.386 4.827 416 HA THR 98 HA THR 98 0.664 4.274 2.891 417 HB THR 98 HB THR 98 1.125 1.421 3.840 418 HG1 THR 98 1HG THR 98 3.098 2.217 3.346 419 HG21 THR 98 3HG2 THR 98 0.321 2.597 1.177 420 HG22 THR 98 1HG2 THR 98 -0.750 1.696 2.269 421 HG23 THR 98 2HG2 THR 98 0.625 0.875 1.496 422 H VAL 99 H VAL 99 0.209 2.783 6.028 423 HA VAL 99 HA VAL 99 -2.680 2.567 5.805 424 HB VAL 99 HB VAL 99 -0.750 2.305 8.147 425 HG11 VAL 99 1HG1 VAL 99 -2.926 2.922 9.091 426 HG12 VAL 99 2HG1 VAL 99 -3.742 1.697 8.097 427 HG13 VAL 99 3HG1 VAL 99 -2.609 1.212 9.380 428 HG21 VAL 99 3HG2 VAL 99 -0.655 0.556 6.321 429 HG22 VAL 99 1HG2 VAL 99 -1.119 -0.078 7.887 430 HG23 VAL 99 2HG2 VAL 99 -2.360 0.190 6.640 431 H GLU 100 H GLU 100 -0.435 4.997 7.204 432 HA GLU 100 HA GLU 100 -2.463 6.578 8.464 433 HB2 GLU 100 1HB GLU 100 0.414 7.021 7.645 434 HB3 GLU 100 2HB GLU 100 -0.552 8.372 8.221 435 HG2 GLU 100 1HG GLU 100 -0.234 5.784 9.807 436 HG3 GLU 100 2HG GLU 100 0.834 7.181 9.981 437 H ARG 101 H ARG 101 -0.942 6.703 5.227 438 HA ARG 101 HA ARG 101 -2.435 9.091 4.538 439 HB2 ARG 101 1HB ARG 101 -1.529 8.762 2.310 440 HB3 ARG 101 2HB ARG 101 -0.256 8.547 3.531 441 HG2 ARG 101 1HG ARG 101 -0.824 6.032 3.382 442 HG3 ARG 101 2HG ARG 101 -1.751 6.438 1.988 443 HD2 ARG 101 1HD ARG 101 1.210 6.611 2.437 444 HD3 ARG 101 2HD ARG 101 0.381 5.612 1.237 445 HE ARG 101 HE ARG 101 1.016 8.436 1.328 446 HH11 ARG 101 1HH1 ARG 101 -1.310 6.299 -0.397 447 HH12 ARG 101 2HH1 ARG 101 -1.642 7.497 -1.601 448 HH21 ARG 101 1HH2 ARG 101 0.717 9.854 -0.443 449 HH22 ARG 101 2HH2 ARG 101 -0.729 9.650 -1.371 450 H TYR 102 H TYR 102 -2.866 5.638 4.192 451 HA TYR 102 HA TYR 102 -5.142 5.601 2.456 452 HB2 TYR 102 2HB TYR 102 -4.280 3.542 2.822 453 HB3 TYR 102 3HB TYR 102 -4.076 3.746 4.553 454 HD1 TYR 102 1HD TYR 102 -6.782 3.488 1.969 455 HD2 TYR 102 2HD TYR 102 -5.593 2.881 6.058 456 HE1 TYR 102 1HE TYR 102 -8.981 2.456 2.439 457 HE2 TYR 102 2HE TYR 102 -7.755 1.785 6.547 458 HH TYR 102 HH TYR 102 -10.416 1.984 4.178 459 H LEU 103 H LEU 103 -5.128 5.517 6.076 460 HA LEU 103 HA LEU 103 -7.918 5.913 6.274 461 HB2 LEU 103 1HB LEU 103 -7.557 6.409 8.623 462 HB3 LEU 103 2HB LEU 103 -6.707 4.981 8.051 463 HG LEU 103 HG LEU 103 -4.649 6.581 7.841 464 HD11 LEU 103 1HD1 LEU 103 -4.545 8.301 9.620 465 HD12 LEU 103 2HD1 LEU 103 -6.271 8.049 9.966 466 HD13 LEU 103 3HD1 LEU 103 -5.743 8.729 8.412 467 HD21 LEU 103 3HD2 LEU 103 -3.979 5.966 10.107 468 HD22 LEU 103 1HD2 LEU 103 -4.838 4.639 9.336 469 HD23 LEU 103 2HD2 LEU 103 -5.690 5.639 10.532 470 H ARG 104 H ARG 104 -5.398 8.232 5.590 471 HA ARG 104 HA ARG 104 -7.087 10.510 6.331 472 HB2 ARG 104 1HB ARG 104 -5.280 11.763 6.100 473 HB3 ARG 104 2HB ARG 104 -4.371 10.275 5.937 474 HG2 ARG 104 1HG ARG 104 -4.731 10.533 3.385 475 HG3 ARG 104 2HG ARG 104 -5.318 12.139 3.735 476 HD2 ARG 104 1HD ARG 104 -2.529 11.101 4.405 477 HD3 ARG 104 2HD ARG 104 -2.956 12.134 3.044 478 HE ARG 104 HE ARG 104 -3.472 13.885 4.438 479 HH11 ARG 104 1HH1 ARG 104 -1.921 11.208 6.287 480 HH12 ARG 104 2HH1 ARG 104 -2.127 11.919 7.827 481 HH21 ARG 104 1HH2 ARG 104 -3.311 15.023 6.417 482 HH22 ARG 104 2HH2 ARG 104 -2.877 14.209 7.905 483 H GLY 105 H GLY 105 -6.991 8.332 3.631 484 HA2 GLY 105 1HA GLY 105 -8.509 8.295 1.876 485 HA3 GLY 105 2HA GLY 105 -9.043 9.935 2.277 486 H ASP 106 H ASP 106 -5.579 9.072 1.866 487 HA ASP 106 HA ASP 106 -5.276 11.172 -0.076 488 HB2 ASP 106 1HB ASP 106 -3.486 10.214 1.554 489 HB3 ASP 106 2HB ASP 106 -3.219 8.982 0.323 490 H GLU 107 H GLU 107 -3.976 10.430 -2.280 491 HA GLU 107 HA GLU 107 -5.716 8.512 -3.748 492 HB2 GLU 107 1HB GLU 107 -3.641 10.541 -4.584 493 HB3 GLU 107 2HB GLU 107 -4.418 9.361 -5.660 494 HG2 GLU 107 1HG GLU 107 -6.657 10.335 -4.935 495 HG3 GLU 107 2HG GLU 107 -5.738 11.652 -4.193 496 H PHE 108 H PHE 108 -5.037 6.777 -4.804 497 HA PHE 108 HA PHE 108 -2.320 5.758 -4.232 498 HB2 PHE 108 2HB PHE 108 -5.009 4.490 -3.585 499 HB3 PHE 108 3HB PHE 108 -3.592 3.524 -3.910 500 HD1 PHE 108 2HD PHE 108 -4.775 6.252 -1.576 501 HD2 PHE 108 1HD PHE 108 -2.091 2.981 -2.281 502 HE1 PHE 108 2HE PHE 108 -4.134 6.306 0.776 503 HE2 PHE 108 1HE PHE 108 -1.577 2.887 0.149 504 HZ PHE 108 HZ PHE 108 -2.587 4.543 1.697 505 H SER 109 H SER 109 -1.605 5.614 -6.153 506 HA SER 109 HA SER 109 -3.190 4.847 -8.542 507 HB2 SER 109 1HB SER 109 -0.246 5.452 -8.075 508 HB3 SER 109 2HB SER 109 -0.867 4.977 -9.667 509 HG SER 109 HG SER 109 -1.960 6.829 -9.829 510 H PHE 110 H PHE 110 -2.192 3.091 -9.982 511 HA PHE 110 HA PHE 110 -1.913 0.581 -8.453 512 HB2 PHE 110 2HB PHE 110 -2.758 1.359 -11.258 513 HB3 PHE 110 3HB PHE 110 -2.243 -0.267 -10.953 514 HD1 PHE 110 1HD PHE 110 -4.740 2.298 -9.900 515 HD2 PHE 110 2HD PHE 110 -3.696 -1.917 -9.846 516 HE1 PHE 110 1HE PHE 110 -6.964 1.738 -8.998 517 HE2 PHE 110 2HE PHE 110 -5.928 -2.431 -9.053 518 HZ PHE 110 HZ PHE 110 -7.578 -0.633 -8.572 519 HA PRO 111 HA PRO 111 2.302 0.024 -9.511 520 HB2 PRO 111 2HB PRO 111 2.527 -2.672 -10.148 521 HB3 PRO 111 3HB PRO 111 2.298 -2.040 -8.488 522 HG2 PRO 111 2HG PRO 111 0.231 -3.154 -10.387 523 HG3 PRO 111 3HG PRO 111 0.396 -3.441 -8.621 524 HD2 PRO 111 2HD PRO 111 -1.390 -1.689 -9.645 525 HD3 PRO 111 3HD PRO 111 -0.584 -1.414 -8.077 526 HA PRO 112 HA PRO 112 2.918 0.519 -13.815 527 HB2 PRO 112 2HB PRO 112 5.460 -0.484 -14.270 528 HB3 PRO 112 3HB PRO 112 5.116 1.079 -13.477 529 HG2 PRO 112 2HG PRO 112 5.643 -1.607 -12.156 530 HG3 PRO 112 3HG PRO 112 6.399 -0.032 -11.763 531 HD2 PRO 112 2HD PRO 112 4.339 -0.968 -10.317 532 HD3 PRO 112 3HD PRO 112 4.371 0.762 -10.769 533 H GLY 113 H GLY 113 2.079 -0.565 -15.497 534 HA2 GLY 113 1HA GLY 113 1.999 -2.324 -17.069 535 HA3 GLY 113 2HA GLY 113 2.701 -3.451 -15.914 536 H PHE 114 H PHE 114 0.299 -1.787 -14.174 537 HA PHE 114 HA PHE 114 -1.510 -4.093 -14.289 538 HB2 PHE 114 2HB PHE 114 -1.241 -2.742 -12.238 539 HB3 PHE 114 3HB PHE 114 -1.781 -1.295 -13.094 540 HD1 PHE 114 2HD PHE 114 -2.830 -4.533 -11.618 541 HD2 PHE 114 1HD PHE 114 -4.161 -0.955 -13.640 542 HE1 PHE 114 2HE PHE 114 -5.190 -5.113 -11.122 543 HE2 PHE 114 1HE PHE 114 -6.502 -1.566 -13.179 544 HZ PHE 114 HZ PHE 114 -7.027 -3.677 -11.959 545 H GLU 115 H GLU 115 -1.122 -1.025 -15.853 546 HA GLU 115 HA GLU 115 -3.686 -1.055 -17.349 547 HB2 GLU 115 1HB GLU 115 -1.367 0.910 -16.955 548 HB3 GLU 115 2HB GLU 115 -2.707 1.218 -18.061 549 HG2 GLU 115 1HG GLU 115 -4.257 1.492 -16.294 550 HG3 GLU 115 2HG GLU 115 -3.201 0.711 -15.115 Start of MODEL 7 1 H1 GLY 41 H GLY 41 8.198 17.071 -14.632 2 HA2 GLY 41 1HA GLY 41 10.458 16.881 -15.529 3 HA3 GLY 41 2HA GLY 41 10.305 18.337 -14.524 4 H ALA 42 H ALA 42 10.691 17.789 -12.047 5 HA ALA 42 HA ALA 42 13.353 16.872 -11.682 6 HB1 ALA 42 3HB ALA 42 12.266 18.723 -10.449 7 HB2 ALA 42 1HB ALA 42 11.174 17.557 -9.670 8 HB3 ALA 42 2HB ALA 42 12.924 17.493 -9.361 9 H MET 43 H MET 43 12.306 14.599 -12.765 10 HA MET 43 HA MET 43 11.135 12.726 -10.984 11 HB2 MET 43 1HB MET 43 12.042 10.999 -12.600 12 HB3 MET 43 2HB MET 43 10.978 12.216 -13.252 13 HG2 MET 43 1HG MET 43 12.748 11.800 -14.806 14 HG3 MET 43 2HG MET 43 12.871 13.441 -14.215 15 HE1 MET 43 3HE MET 43 14.617 9.988 -14.681 16 HE2 MET 43 1HE MET 43 15.838 9.987 -13.385 17 HE3 MET 43 2HE MET 43 14.113 9.875 -12.982 18 H GLY 44 H GLY 44 14.384 13.889 -11.048 19 HA2 GLY 44 1HA GLY 44 15.722 13.483 -9.025 20 HA3 GLY 44 2HA GLY 44 15.253 11.782 -9.111 21 HA PRO 45 HA PRO 45 18.191 12.403 -12.824 22 HB2 PRO 45 2HB PRO 45 19.200 14.782 -13.515 23 HB3 PRO 45 3HB PRO 45 17.454 14.493 -13.696 24 HG2 PRO 45 2HG PRO 45 18.823 15.833 -11.336 25 HG3 PRO 45 3HG PRO 45 17.480 16.480 -12.338 26 HD2 PRO 45 2HD PRO 45 17.115 15.091 -9.988 27 HD3 PRO 45 3HD PRO 45 15.930 15.037 -11.319 28 H GLN 46 H GLN 46 18.780 12.743 -9.686 29 HA GLN 46 HA GLN 46 21.639 12.196 -9.809 30 HB2 GLN 46 1HB GLN 46 22.150 13.785 -8.021 31 HB3 GLN 46 2HB GLN 46 21.691 14.593 -9.516 32 HG2 GLN 46 1HG GLN 46 19.472 15.126 -8.616 33 HG3 GLN 46 2HG GLN 46 19.806 14.221 -7.136 34 HE21 GLN 46 2HE2 GLN 46 19.036 16.819 -6.771 35 HE22 GLN 46 1HE2 GLN 46 20.422 17.775 -6.285 36 H GLY 47 H GLY 47 19.423 10.562 -9.558 37 HA2 GLY 47 1HA GLY 47 18.752 10.051 -6.787 38 HA3 GLY 47 2HA GLY 47 18.263 9.157 -8.219 39 H SER 48 H SER 48 18.595 7.461 -6.672 40 HA SER 48 HA SER 48 21.295 6.270 -6.828 41 HB2 SER 48 1HB SER 48 19.379 6.369 -4.448 42 HB3 SER 48 2HB SER 48 20.808 5.322 -4.544 43 HG SER 48 HG SER 48 20.776 8.193 -4.650 44 H THR 49 H THR 49 21.049 3.834 -6.518 45 HA THR 49 HA THR 49 18.491 2.687 -7.313 46 HB THR 49 HB THR 49 19.348 3.639 -9.435 47 HG1 THR 49 1HG THR 49 18.972 1.860 -10.613 48 HG21 THR 49 3HG2 THR 49 21.815 3.347 -8.977 49 HG22 THR 49 1HG2 THR 49 21.282 2.816 -10.567 50 HG23 THR 49 2HG2 THR 49 21.608 1.610 -9.305 51 H GLN 50 H GLN 50 21.950 2.322 -6.591 52 HA GLN 50 HA GLN 50 22.123 -0.471 -6.533 53 HB2 GLN 50 1HB GLN 50 23.577 1.612 -4.831 54 HB3 GLN 50 2HB GLN 50 24.058 -0.075 -5.033 55 HG2 GLN 50 1HG GLN 50 24.135 0.420 -7.572 56 HG3 GLN 50 2HG GLN 50 24.029 2.128 -7.145 57 HE21 GLN 50 2HE2 GLN 50 26.072 3.180 -6.827 58 HE22 GLN 50 1HE2 GLN 50 27.514 2.287 -6.421 59 H ASN 51 H ASN 51 21.492 -2.022 -5.087 60 HA ASN 51 HA ASN 51 19.716 -1.185 -2.880 61 HB2 ASN 51 1HB ASN 51 19.069 -3.503 -2.734 62 HB3 ASN 51 2HB ASN 51 18.934 -2.930 -4.389 63 HD21 ASN 51 2HD2 ASN 51 20.208 -3.942 -6.001 64 HD22 ASN 51 1HD2 ASN 51 21.286 -5.283 -5.682 65 H ALA 52 H ALA 52 23.007 -1.716 -3.138 66 HA ALA 52 HA ALA 52 23.299 -2.045 -0.231 67 HB1 ALA 52 3HB ALA 52 24.637 -3.870 -2.294 68 HB2 ALA 52 1HB ALA 52 25.039 -3.784 -0.565 69 HB3 ALA 52 2HB ALA 52 23.442 -4.359 -1.069 70 H LEU 53 H LEU 53 24.301 -0.036 0.093 71 HA LEU 53 HA LEU 53 26.780 0.443 -1.287 72 HB2 LEU 53 1HB LEU 53 26.314 2.482 -2.323 73 HB3 LEU 53 2HB LEU 53 25.038 1.426 -2.874 74 HG LEU 53 HG LEU 53 24.654 3.408 -0.558 75 HD11 LEU 53 1HD1 LEU 53 24.232 3.832 -3.526 76 HD12 LEU 53 2HD1 LEU 53 25.373 4.663 -2.404 77 HD13 LEU 53 3HD1 LEU 53 23.638 4.901 -2.227 78 HD21 LEU 53 3HD2 LEU 53 22.923 1.715 -0.613 79 HD22 LEU 53 1HD2 LEU 53 22.677 1.982 -2.358 80 HD23 LEU 53 2HD2 LEU 53 22.277 3.252 -1.178 81 H ARG 54 H ARG 54 27.505 2.826 -0.596 82 HA ARG 54 HA ARG 54 27.996 2.763 2.184 83 HB2 ARG 54 1HB ARG 54 29.434 3.939 0.607 84 HB3 ARG 54 2HB ARG 54 28.110 5.001 0.111 85 HG2 ARG 54 1HG ARG 54 29.735 6.132 1.598 86 HG3 ARG 54 2HG ARG 54 28.112 6.113 2.297 87 HD2 ARG 54 1HD ARG 54 28.726 4.237 3.771 88 HD3 ARG 54 2HD ARG 54 30.291 4.106 2.968 89 HE ARG 54 HE ARG 54 29.556 6.654 4.323 90 HH11 ARG 54 1HH1 ARG 54 31.619 3.760 4.256 91 HH12 ARG 54 2HH1 ARG 54 32.548 4.246 5.649 92 HH21 ARG 54 1HH2 ARG 54 30.855 7.273 6.176 93 HH22 ARG 54 2HH2 ARG 54 31.964 6.123 6.808 94 H ARG 55 H ARG 55 26.537 3.116 3.787 95 HA ARG 55 HA ARG 55 23.925 4.140 3.357 96 HB2 ARG 55 1HB ARG 55 25.627 3.622 5.818 97 HB3 ARG 55 2HB ARG 55 24.090 4.485 5.961 98 HG2 ARG 55 1HG ARG 55 22.851 2.644 4.995 99 HG3 ARG 55 2HG ARG 55 24.340 1.747 4.676 100 HD2 ARG 55 1HD ARG 55 23.177 0.963 6.730 101 HD3 ARG 55 2HD ARG 55 24.810 1.567 7.063 102 HE ARG 55 HE ARG 55 23.057 3.733 7.408 103 HH11 ARG 55 1HH1 ARG 55 23.537 0.586 8.999 104 HH12 ARG 55 2HH1 ARG 55 23.094 1.201 10.569 105 HH21 ARG 55 1HH2 ARG 55 22.533 4.499 9.371 106 HH22 ARG 55 2HH2 ARG 55 22.601 3.537 10.825 107 H THR 56 H THR 56 23.757 6.223 2.442 108 HA THR 56 HA THR 56 24.076 8.419 4.192 109 HB THR 56 HB THR 56 26.489 8.035 3.451 110 HG1 THR 56 1HG THR 56 25.910 9.951 4.269 111 HG21 THR 56 3HG2 THR 56 26.122 7.418 1.093 112 HG22 THR 56 1HG2 THR 56 27.223 8.789 1.280 113 HG23 THR 56 2HG2 THR 56 25.550 9.058 0.754 114 H GLY 57 H GLY 57 23.392 10.505 2.841 115 HA2 GLY 57 1HA GLY 57 22.009 11.494 1.303 116 HA3 GLY 57 2HA GLY 57 21.995 10.012 0.353 117 H ARG 58 H ARG 58 19.666 11.187 0.398 118 HA ARG 58 HA ARG 58 17.933 9.500 2.092 119 HB2 ARG 58 1HB ARG 58 17.786 12.549 1.896 120 HB3 ARG 58 2HB ARG 58 16.351 11.572 2.102 121 HG2 ARG 58 1HG ARG 58 16.772 12.152 4.256 122 HG3 ARG 58 2HG ARG 58 17.417 10.523 4.159 123 HD2 ARG 58 1HD ARG 58 18.861 11.958 5.465 124 HD3 ARG 58 2HD ARG 58 19.719 11.442 4.014 125 HE ARG 58 HE ARG 58 18.650 13.798 3.194 126 HH11 ARG 58 1HH1 ARG 58 20.618 12.964 6.006 127 HH12 ARG 58 2HH1 ARG 58 21.125 14.600 6.297 128 HH21 ARG 58 1HH2 ARG 58 19.521 15.790 3.337 129 HH22 ARG 58 2HH2 ARG 58 20.670 16.248 4.577 130 H VAL 59 H VAL 59 15.919 9.030 0.982 131 HA VAL 59 HA VAL 59 15.385 10.241 -1.559 132 HB VAL 59 HB VAL 59 17.277 8.605 -2.015 133 HG11 VAL 59 1HG1 VAL 59 16.586 6.834 -0.391 134 HG12 VAL 59 2HG1 VAL 59 15.218 6.438 -1.457 135 HG13 VAL 59 3HG1 VAL 59 16.881 6.235 -2.029 136 HG21 VAL 59 3HG2 VAL 59 14.744 7.852 -3.479 137 HG22 VAL 59 1HG2 VAL 59 15.618 9.383 -3.728 138 HG23 VAL 59 2HG2 VAL 59 16.422 7.839 -4.043 139 H ASN 60 H ASN 60 13.345 9.289 -2.484 140 HA ASN 60 HA ASN 60 11.676 7.713 -0.698 141 HB2 ASN 60 1HB ASN 60 10.914 10.481 -1.741 142 HB3 ASN 60 2HB ASN 60 9.824 9.360 -0.938 143 HD21 ASN 60 2HD2 ASN 60 10.523 8.631 1.334 144 HD22 ASN 60 1HD2 ASN 60 11.379 9.767 2.340 145 H GLY 61 H GLY 61 9.645 7.056 -2.090 146 HA2 GLY 61 1HA GLY 61 8.650 6.576 -4.130 147 HA3 GLY 61 2HA GLY 61 9.805 7.615 -4.924 148 H GLY 62 H GLY 62 11.280 5.014 -3.027 149 HA2 GLY 62 1HA GLY 62 11.206 3.054 -5.146 150 HA3 GLY 62 2HA GLY 62 12.704 4.006 -5.212 151 H HIS 63 H HIS 63 10.674 1.962 -3.125 152 HA HIS 63 HA HIS 63 13.123 1.110 -1.652 153 HB2 HIS 63 1HB HIS 63 10.293 1.481 -0.609 154 HB3 HIS 63 2HB HIS 63 11.703 0.993 0.353 155 HD1 HIS 63 HD1 HIS 63 13.709 3.108 0.543 156 HD2 HIS 63 HD2 HIS 63 9.860 4.006 -0.991 157 HE1 HIS 63 HE1 HIS 63 13.556 5.608 0.386 158 HA PRO 64 HA PRO 64 11.677 -2.953 -2.951 159 HB2 PRO 64 2HB PRO 64 13.249 -4.557 -1.393 160 HB3 PRO 64 3HB PRO 64 13.940 -3.548 -2.705 161 HG2 PRO 64 2HG PRO 64 13.836 -2.941 0.264 162 HG3 PRO 64 3HG PRO 64 15.234 -2.807 -0.850 163 HD2 PRO 64 2HD PRO 64 13.671 -0.648 -0.209 164 HD3 PRO 64 3HD PRO 64 14.383 -0.876 -1.839 165 H VAL 65 H VAL 65 9.986 -4.269 -2.223 166 HA VAL 65 HA VAL 65 9.320 -4.278 0.693 167 HB VAL 65 HB VAL 65 7.130 -3.612 0.428 168 HG11 VAL 65 1HG1 VAL 65 7.195 -1.453 -0.733 169 HG12 VAL 65 2HG1 VAL 65 8.689 -1.701 0.172 170 HG13 VAL 65 3HG1 VAL 65 8.622 -1.897 -1.605 171 HG21 VAL 65 3HG2 VAL 65 6.034 -3.180 -1.803 172 HG22 VAL 65 1HG2 VAL 65 7.380 -4.061 -2.550 173 HG23 VAL 65 2HG2 VAL 65 6.310 -4.864 -1.368 174 H THR 66 H THR 66 8.175 -6.072 1.509 175 HA THR 66 HA THR 66 8.389 -8.517 -0.131 176 HB THR 66 HB THR 66 8.297 -9.471 2.266 177 HG1 THR 66 1HG THR 66 8.968 -7.884 3.839 178 HG21 THR 66 3HG2 THR 66 10.642 -7.565 1.853 179 HG22 THR 66 1HG2 THR 66 10.453 -9.034 0.874 180 HG23 THR 66 2HG2 THR 66 10.627 -9.161 2.625 181 H THR 67 H THR 67 6.755 -10.279 0.550 182 HA THR 67 HA THR 67 4.131 -9.454 -0.029 183 HB THR 67 HB THR 67 5.209 -11.956 1.328 184 HG1 THR 67 1HG THR 67 4.353 -11.647 -1.344 185 HG21 THR 67 3HG2 THR 67 2.489 -11.538 0.006 186 HG22 THR 67 1HG2 THR 67 2.789 -11.891 1.719 187 HG23 THR 67 2HG2 THR 67 3.172 -13.106 0.491 188 H GLN 68 H GLN 68 5.745 -10.058 3.165 189 HA GLN 68 HA GLN 68 3.429 -9.845 4.699 190 HB2 GLN 68 1HB GLN 68 4.716 -9.585 6.587 191 HB3 GLN 68 2HB GLN 68 5.688 -10.576 5.560 192 HG2 GLN 68 1HG GLN 68 6.371 -7.672 5.292 193 HG3 GLN 68 2HG GLN 68 6.379 -8.188 6.949 194 HE21 GLN 68 2HE2 GLN 68 7.417 -10.724 4.685 195 HE22 GLN 68 1HE2 GLN 68 9.117 -10.410 4.956 196 H MET 69 H MET 69 5.353 -7.165 3.295 197 HA MET 69 HA MET 69 4.063 -5.172 4.910 198 HB2 MET 69 1HB MET 69 5.485 -5.069 2.230 199 HB3 MET 69 2HB MET 69 4.898 -3.636 3.104 200 HG2 MET 69 1HG MET 69 6.357 -4.131 4.992 201 HG3 MET 69 2HG MET 69 6.868 -5.641 4.247 202 HE1 MET 69 3HE MET 69 8.104 -1.452 2.646 203 HE2 MET 69 1HE MET 69 6.494 -2.108 2.345 204 HE3 MET 69 2HE MET 69 6.995 -1.703 4.001 205 H VAL 70 H VAL 70 3.338 -6.603 1.726 206 HA VAL 70 HA VAL 70 1.156 -5.004 1.034 207 HB VAL 70 HB VAL 70 1.504 -7.921 0.277 208 HG11 VAL 70 1HG1 VAL 70 0.239 -5.724 -1.338 209 HG12 VAL 70 2HG1 VAL 70 0.296 -7.456 -1.698 210 HG13 VAL 70 3HG1 VAL 70 -0.672 -6.886 -0.337 211 HG21 VAL 70 3HG2 VAL 70 2.743 -7.150 -1.689 212 HG22 VAL 70 1HG2 VAL 70 2.760 -5.494 -1.027 213 HG23 VAL 70 2HG2 VAL 70 3.591 -6.826 -0.184 214 H GLU 71 H GLU 71 1.142 -8.230 2.665 215 HA GLU 71 HA GLU 71 -1.678 -8.127 3.097 216 HB2 GLU 71 1HB GLU 71 -1.209 -9.807 4.940 217 HB3 GLU 71 2HB GLU 71 -0.869 -10.277 3.262 218 HG2 GLU 71 1HG GLU 71 1.387 -10.185 3.523 219 HG3 GLU 71 2HG GLU 71 1.310 -9.226 4.993 220 H THR 72 H THR 72 0.991 -6.860 5.113 221 HA THR 72 HA THR 72 -0.585 -6.412 7.432 222 HB THR 72 HB THR 72 1.650 -4.588 6.474 223 HG1 THR 72 1HG THR 72 2.282 -6.772 6.554 224 HG21 THR 72 3HG2 THR 72 0.381 -3.702 8.425 225 HG22 THR 72 1HG2 THR 72 1.980 -4.257 8.922 226 HG23 THR 72 2HG2 THR 72 0.552 -5.262 9.259 227 H VAL 73 H VAL 73 0.158 -3.974 4.800 228 HA VAL 73 HA VAL 73 -1.735 -2.116 5.744 229 HB VAL 73 HB VAL 73 -1.150 -2.580 2.823 230 HG11 VAL 73 1HG1 VAL 73 -1.893 -0.014 4.291 231 HG12 VAL 73 2HG1 VAL 73 -1.622 -0.220 2.548 232 HG13 VAL 73 3HG1 VAL 73 -3.000 -0.988 3.310 233 HG21 VAL 73 3HG2 VAL 73 0.414 -0.817 4.751 234 HG22 VAL 73 1HG2 VAL 73 0.998 -2.323 3.997 235 HG23 VAL 73 2HG2 VAL 73 0.643 -0.918 3.001 236 H GLN 74 H GLN 74 -2.259 -4.796 3.384 237 HA GLN 74 HA GLN 74 -4.938 -4.316 2.834 238 HB2 GLN 74 1HB GLN 74 -3.439 -6.075 1.783 239 HB3 GLN 74 2HB GLN 74 -3.800 -7.097 3.164 240 HG2 GLN 74 1HG GLN 74 -5.290 -7.794 1.486 241 HG3 GLN 74 2HG GLN 74 -6.263 -6.856 2.584 242 HE21 GLN 74 2HE2 GLN 74 -6.725 -4.372 1.792 243 HE22 GLN 74 1HE2 GLN 74 -6.969 -4.344 0.054 244 H ASN 75 H ASN 75 -3.679 -6.157 5.626 245 HA ASN 75 HA ASN 75 -6.255 -6.990 6.609 246 HB2 ASN 75 1HB ASN 75 -3.625 -6.421 8.067 247 HB3 ASN 75 2HB ASN 75 -5.098 -6.879 8.900 248 HD21 ASN 75 2HD2 ASN 75 -2.590 -8.060 6.752 249 HD22 ASN 75 1HD2 ASN 75 -2.867 -9.749 7.066 250 H LEU 76 H LEU 76 -4.214 -4.085 7.194 251 HA LEU 76 HA LEU 76 -6.194 -2.965 9.025 252 HB2 LEU 76 1HB LEU 76 -3.874 -1.523 7.712 253 HB3 LEU 76 2HB LEU 76 -4.775 -1.044 9.148 254 HG LEU 76 HG LEU 76 -2.726 -3.248 8.828 255 HD11 LEU 76 1HD1 LEU 76 -1.870 -1.116 9.416 256 HD12 LEU 76 2HD1 LEU 76 -1.727 -2.166 10.811 257 HD13 LEU 76 3HD1 LEU 76 -3.022 -0.922 10.743 258 HD21 LEU 76 3HD2 LEU 76 -3.159 -3.993 11.162 259 HD22 LEU 76 1HD2 LEU 76 -4.381 -4.477 10.012 260 HD23 LEU 76 2HD2 LEU 76 -4.712 -3.111 11.115 261 H ALA 77 H ALA 77 -5.604 -2.637 5.579 262 HA ALA 77 HA ALA 77 -7.880 -0.741 5.282 263 HB1 ALA 77 3HB ALA 77 -6.603 0.113 3.314 264 HB2 ALA 77 1HB ALA 77 -5.766 0.369 4.876 265 HB3 ALA 77 2HB ALA 77 -5.245 -0.910 3.795 266 HA PRO 78 HA PRO 78 -8.787 -4.660 2.966 267 HB2 PRO 78 2HB PRO 78 -11.262 -5.189 3.907 268 HB3 PRO 78 3HB PRO 78 -9.825 -5.459 4.914 269 HG2 PRO 78 2HG PRO 78 -11.559 -2.978 4.891 270 HG3 PRO 78 3HG PRO 78 -11.144 -4.010 6.307 271 HD2 PRO 78 2HD PRO 78 -9.705 -1.799 5.722 272 HD3 PRO 78 3HD PRO 78 -8.890 -3.301 6.268 273 H ASN 79 H ASN 79 -9.734 -1.469 2.733 274 HA ASN 79 HA ASN 79 -11.810 -1.863 0.656 275 HB2 ASN 79 1HB ASN 79 -12.264 -0.260 2.464 276 HB3 ASN 79 2HB ASN 79 -10.810 0.647 2.047 277 HD21 ASN 79 2HD2 ASN 79 -13.371 -0.696 -0.230 278 HD22 ASN 79 1HD2 ASN 79 -13.856 0.874 -0.775 279 H LEU 80 H LEU 80 -8.537 -1.963 0.662 280 HA LEU 80 HA LEU 80 -8.160 -0.410 -1.865 281 HB2 LEU 80 1HB LEU 80 -6.297 -1.402 0.293 282 HB3 LEU 80 2HB LEU 80 -5.711 -0.757 -1.220 283 HG LEU 80 HG LEU 80 -7.252 0.746 0.949 284 HD11 LEU 80 1HD1 LEU 80 -4.812 0.254 1.341 285 HD12 LEU 80 2HD1 LEU 80 -5.148 1.993 1.191 286 HD13 LEU 80 3HD1 LEU 80 -4.480 1.107 -0.195 287 HD21 LEU 80 3HD2 LEU 80 -7.994 1.686 -1.134 288 HD22 LEU 80 1HD2 LEU 80 -6.350 1.686 -1.825 289 HD23 LEU 80 2HD2 LEU 80 -6.782 2.782 -0.496 290 H HIS 81 H HIS 81 -6.900 -1.447 -3.543 291 HA HIS 81 HA HIS 81 -7.564 -4.254 -3.866 292 HB2 HIS 81 1HB HIS 81 -7.562 -2.376 -5.658 293 HB3 HIS 81 2HB HIS 81 -5.832 -2.435 -5.554 294 HD2 HIS 81 HD2 HIS 81 -8.784 -4.404 -6.996 295 HE1 HIS 81 HE1 HIS 81 -5.177 -6.084 -8.542 296 HE2 HIS 81 HE2 HIS 81 -7.709 -5.999 -8.822 297 HA PRO 82 HA PRO 82 -3.708 -5.664 -2.176 298 HB2 PRO 82 2HB PRO 82 -3.222 -8.002 -3.582 299 HB3 PRO 82 3HB PRO 82 -4.420 -7.816 -2.265 300 HG2 PRO 82 2HG PRO 82 -4.877 -7.685 -5.252 301 HG3 PRO 82 3HG PRO 82 -5.861 -8.533 -4.010 302 HD2 PRO 82 2HD PRO 82 -6.494 -6.086 -5.042 303 HD3 PRO 82 3HD PRO 82 -6.898 -6.507 -3.356 304 H GLU 83 H GLU 83 -3.879 -5.005 -5.665 305 HA GLU 83 HA GLU 83 -0.982 -5.194 -5.989 306 HB2 GLU 83 1HB GLU 83 -3.260 -5.231 -7.687 307 HB3 GLU 83 2HB GLU 83 -2.390 -3.783 -8.111 308 HG2 GLU 83 1HG GLU 83 -1.660 -5.443 -9.509 309 HG3 GLU 83 2HG GLU 83 -0.323 -5.156 -8.375 310 H GLN 84 H GLN 84 -3.444 -2.593 -5.518 311 HA GLN 84 HA GLN 84 -1.774 -0.386 -5.976 312 HB2 GLN 84 1HB GLN 84 -3.962 -0.688 -3.882 313 HB3 GLN 84 2HB GLN 84 -3.239 0.848 -4.349 314 HG2 GLN 84 1HG GLN 84 -4.061 0.689 -6.617 315 HG3 GLN 84 2HG GLN 84 -4.720 -0.896 -6.337 316 HE21 GLN 84 2HE2 GLN 84 -5.216 2.507 -5.973 317 HE22 GLN 84 1HE2 GLN 84 -6.833 2.474 -5.431 318 H ILE 85 H ILE 85 -2.097 -2.420 -3.108 319 HA ILE 85 HA ILE 85 -0.638 -0.846 -1.302 320 HB ILE 85 HB ILE 85 -0.765 -3.862 -1.416 321 HG12 ILE 85 1HG1 ILE 85 -2.597 -2.043 0.175 322 HG13 ILE 85 2HG1 ILE 85 -3.041 -2.649 -1.409 323 HG21 ILE 85 1HG2 ILE 85 -0.202 -1.854 0.818 324 HG22 ILE 85 2HG2 ILE 85 -0.414 -3.598 1.071 325 HG23 ILE 85 3HG2 ILE 85 0.942 -3.014 0.123 326 HD11 ILE 85 3HD1 ILE 85 -3.993 -4.196 0.029 327 HD12 ILE 85 1HD1 ILE 85 -2.505 -5.012 -0.482 328 HD13 ILE 85 2HD1 ILE 85 -2.577 -4.207 1.100 329 H ARG 86 H ARG 86 0.672 -3.657 -3.207 330 HA ARG 86 HA ARG 86 3.343 -3.362 -2.578 331 HB2 ARG 86 1HB ARG 86 2.938 -5.187 -3.864 332 HB3 ARG 86 2HB ARG 86 1.872 -4.368 -4.987 333 HG2 ARG 86 1HG ARG 86 4.803 -3.621 -5.042 334 HG3 ARG 86 2HG ARG 86 4.350 -5.193 -5.656 335 HD2 ARG 86 1HD ARG 86 3.170 -4.395 -7.457 336 HD3 ARG 86 2HD ARG 86 2.636 -2.938 -6.628 337 HE ARG 86 HE ARG 86 4.919 -2.027 -6.849 338 HH11 ARG 86 1HH1 ARG 86 3.925 -4.446 -9.369 339 HH12 ARG 86 2HH1 ARG 86 5.239 -3.976 -10.395 340 HH21 ARG 86 1HH2 ARG 86 6.423 -1.468 -8.222 341 HH22 ARG 86 2HH2 ARG 86 6.635 -2.129 -9.827 342 H TYR 87 H TYR 87 1.695 -1.449 -5.165 343 HA TYR 87 HA TYR 87 4.025 0.034 -5.843 344 HB2 TYR 87 2HB TYR 87 1.900 -0.164 -7.165 345 HB3 TYR 87 3HB TYR 87 1.086 0.890 -6.045 346 HD1 TYR 87 2HD TYR 87 4.319 0.870 -8.045 347 HD2 TYR 87 1HD TYR 87 0.959 3.155 -6.564 348 HE1 TYR 87 2HE TYR 87 5.003 2.799 -9.427 349 HE2 TYR 87 1HE TYR 87 1.740 5.119 -7.832 350 HH TYR 87 HH TYR 87 3.630 5.997 -8.988 351 H SER 88 H SER 88 1.393 0.769 -3.574 352 HA SER 88 HA SER 88 2.213 3.379 -2.830 353 HB2 SER 88 1HB SER 88 0.839 1.397 -0.983 354 HB3 SER 88 2HB SER 88 0.754 3.173 -0.966 355 HG SER 88 HG SER 88 -0.312 1.342 -2.854 356 H LEU 89 H LEU 89 2.896 0.225 -1.283 357 HA LEU 89 HA LEU 89 4.606 1.088 0.773 358 HB2 LEU 89 1HB LEU 89 4.745 -1.431 -0.935 359 HB3 LEU 89 2HB LEU 89 5.570 -1.198 0.608 360 HG LEU 89 HG LEU 89 2.547 -1.168 0.366 361 HD11 LEU 89 1HD1 LEU 89 3.302 -3.311 -0.379 362 HD12 LEU 89 2HD1 LEU 89 2.824 -3.487 1.315 363 HD13 LEU 89 3HD1 LEU 89 4.548 -3.402 0.868 364 HD21 LEU 89 3HD2 LEU 89 2.762 -1.665 2.789 365 HD22 LEU 89 1HD2 LEU 89 3.261 -0.048 2.294 366 HD23 LEU 89 2HD2 LEU 89 4.487 -1.262 2.694 367 H GLU 90 H GLU 90 5.342 0.346 -2.665 368 HA GLU 90 HA GLU 90 8.212 0.495 -2.381 369 HB2 GLU 90 1HB GLU 90 6.239 0.654 -4.668 370 HB3 GLU 90 2HB GLU 90 7.930 1.023 -4.949 371 HG2 GLU 90 1HG GLU 90 8.587 -1.202 -4.095 372 HG3 GLU 90 2HG GLU 90 6.924 -1.579 -3.676 373 H ASN 91 H ASN 91 5.652 2.839 -2.875 374 HA ASN 91 HA ASN 91 7.504 5.009 -3.509 375 HB2 ASN 91 1HB ASN 91 4.501 4.925 -3.069 376 HB3 ASN 91 2HB ASN 91 5.390 6.437 -3.150 377 HD21 ASN 91 2HD2 ASN 91 4.929 3.397 -5.073 378 HD22 ASN 91 1HD2 ASN 91 5.145 4.211 -6.615 379 H THR 92 H THR 92 5.402 4.215 -0.632 380 HA THR 92 HA THR 92 6.358 6.398 0.936 381 HB THR 92 HB THR 92 5.129 5.301 2.722 382 HG1 THR 92 1HG THR 92 4.569 3.248 2.671 383 HG21 THR 92 3HG2 THR 92 2.889 5.173 1.754 384 HG22 THR 92 1HG2 THR 92 3.549 5.018 0.121 385 HG23 THR 92 2HG2 THR 92 3.775 6.526 1.028 386 H GLY 93 H GLY 93 7.180 2.989 0.791 387 HA2 GLY 93 1HA GLY 93 9.273 2.016 1.211 388 HA3 GLY 93 2HA GLY 93 9.764 3.392 2.199 389 H SER 94 H SER 94 6.886 3.039 3.567 390 HA SER 94 HA SER 94 7.378 0.554 5.076 391 HB2 SER 94 1HB SER 94 8.567 2.417 6.264 392 HB3 SER 94 2HB SER 94 7.001 3.238 6.426 393 HG SER 94 HG SER 94 7.337 2.043 8.284 394 H VAL 95 H VAL 95 5.628 -0.248 6.013 395 HA VAL 95 HA VAL 95 3.072 -0.034 4.775 396 HB VAL 95 HB VAL 95 4.131 -1.240 7.363 397 HG11 VAL 95 1HG1 VAL 95 2.268 -2.412 7.852 398 HG12 VAL 95 2HG1 VAL 95 1.601 -0.838 7.564 399 HG13 VAL 95 3HG1 VAL 95 1.441 -2.094 6.315 400 HG21 VAL 95 3HG2 VAL 95 4.927 -2.183 5.197 401 HG22 VAL 95 1HG2 VAL 95 4.070 -3.338 6.237 402 HG23 VAL 95 2HG2 VAL 95 3.252 -2.619 4.826 403 H GLU 96 H GLU 96 4.337 1.136 7.913 404 HA GLU 96 HA GLU 96 2.089 2.125 9.101 405 HB2 GLU 96 1HB GLU 96 3.601 3.339 10.475 406 HB3 GLU 96 2HB GLU 96 4.489 1.901 9.928 407 HG2 GLU 96 1HG GLU 96 5.452 3.391 8.069 408 HG3 GLU 96 2HG GLU 96 4.785 4.747 8.954 409 H GLU 97 H GLU 97 4.187 3.865 6.756 410 HA GLU 97 HA GLU 97 2.603 6.233 6.813 411 HB2 GLU 97 1HB GLU 97 4.967 6.159 6.129 412 HB3 GLU 97 2HB GLU 97 4.549 5.196 4.719 413 HG2 GLU 97 1HG GLU 97 4.893 7.602 4.182 414 HG3 GLU 97 2HG GLU 97 3.283 7.048 3.754 415 H THR 98 H THR 98 2.572 3.360 4.657 416 HA THR 98 HA THR 98 0.650 4.296 2.842 417 HB THR 98 HB THR 98 1.033 1.435 3.775 418 HG1 THR 98 1HG THR 98 2.526 2.934 1.859 419 HG21 THR 98 3HG2 THR 98 0.463 0.929 1.429 420 HG22 THR 98 1HG2 THR 98 0.240 2.671 1.120 421 HG23 THR 98 2HG2 THR 98 -0.837 1.831 2.247 422 H VAL 99 H VAL 99 0.285 2.844 5.995 423 HA VAL 99 HA VAL 99 -2.612 2.621 5.885 424 HB VAL 99 HB VAL 99 -0.605 2.404 8.161 425 HG11 VAL 99 1HG1 VAL 99 -3.590 1.748 8.195 426 HG12 VAL 99 2HG1 VAL 99 -2.417 1.301 9.457 427 HG13 VAL 99 3HG1 VAL 99 -2.771 3.002 9.149 428 HG21 VAL 99 3HG2 VAL 99 -2.226 0.201 6.807 429 HG22 VAL 99 1HG2 VAL 99 -0.590 0.638 6.295 430 HG23 VAL 99 2HG2 VAL 99 -0.839 0.044 7.919 431 H GLU 100 H GLU 100 -0.285 5.027 7.194 432 HA GLU 100 HA GLU 100 -2.184 6.668 8.553 433 HB2 GLU 100 1HB GLU 100 0.557 7.270 7.397 434 HB3 GLU 100 2HB GLU 100 -0.344 8.391 8.415 435 HG2 GLU 100 1HG GLU 100 0.054 5.617 9.516 436 HG3 GLU 100 2HG GLU 100 1.483 6.647 9.378 437 H ARG 101 H ARG 101 -0.963 6.646 5.207 438 HA ARG 101 HA ARG 101 -2.436 9.087 4.527 439 HB2 ARG 101 1HB ARG 101 -1.625 8.710 2.277 440 HB3 ARG 101 2HB ARG 101 -0.304 8.528 3.434 441 HG2 ARG 101 1HG ARG 101 -0.814 6.017 3.386 442 HG3 ARG 101 2HG ARG 101 -1.815 6.357 2.010 443 HD2 ARG 101 1HD ARG 101 1.164 6.625 2.331 444 HD3 ARG 101 2HD ARG 101 0.327 5.591 1.164 445 HE ARG 101 HE ARG 101 0.850 8.430 1.186 446 HH11 ARG 101 1HH1 ARG 101 -1.410 6.159 -0.344 447 HH12 ARG 101 2HH1 ARG 101 -1.928 7.321 -1.523 448 HH21 ARG 101 1HH2 ARG 101 0.439 9.762 -0.509 449 HH22 ARG 101 2HH2 ARG 101 -1.037 9.600 -1.394 450 H TYR 102 H TYR 102 -2.884 5.612 4.229 451 HA TYR 102 HA TYR 102 -5.274 5.564 2.658 452 HB2 TYR 102 2HB TYR 102 -4.394 3.502 3.018 453 HB3 TYR 102 3HB TYR 102 -4.079 3.748 4.724 454 HD1 TYR 102 1HD TYR 102 -6.842 3.205 2.282 455 HD2 TYR 102 2HD TYR 102 -5.607 3.120 6.401 456 HE1 TYR 102 1HE TYR 102 -8.949 2.116 2.862 457 HE2 TYR 102 2HE TYR 102 -7.746 2.065 7.037 458 HH TYR 102 HH TYR 102 -10.429 1.879 4.860 459 H LEU 103 H LEU 103 -5.012 5.644 6.263 460 HA LEU 103 HA LEU 103 -7.795 6.002 6.632 461 HB2 LEU 103 1HB LEU 103 -7.272 6.588 8.924 462 HB3 LEU 103 2HB LEU 103 -6.441 5.154 8.357 463 HG LEU 103 HG LEU 103 -4.424 6.752 7.943 464 HD11 LEU 103 1HD1 LEU 103 -4.270 8.582 9.651 465 HD12 LEU 103 2HD1 LEU 103 -5.974 8.329 10.073 466 HD13 LEU 103 3HD1 LEU 103 -5.520 8.933 8.465 467 HD21 LEU 103 3HD2 LEU 103 -5.333 5.927 10.735 468 HD22 LEU 103 1HD2 LEU 103 -3.665 6.346 10.290 469 HD23 LEU 103 2HD2 LEU 103 -4.440 4.928 9.570 470 H ARG 104 H ARG 104 -5.419 8.304 5.626 471 HA ARG 104 HA ARG 104 -7.097 10.625 6.358 472 HB2 ARG 104 1HB ARG 104 -5.323 11.907 6.050 473 HB3 ARG 104 2HB ARG 104 -4.406 10.413 6.038 474 HG2 ARG 104 1HG ARG 104 -4.675 10.517 3.458 475 HG3 ARG 104 2HG ARG 104 -5.232 12.157 3.682 476 HD2 ARG 104 1HD ARG 104 -2.567 11.094 4.714 477 HD3 ARG 104 2HD ARG 104 -2.764 11.941 3.177 478 HE ARG 104 HE ARG 104 -3.846 13.736 4.659 479 HH11 ARG 104 1HH1 ARG 104 -0.880 11.823 5.532 480 HH12 ARG 104 2HH1 ARG 104 -0.355 12.948 6.699 481 HH21 ARG 104 1HH2 ARG 104 -3.032 15.233 6.312 482 HH22 ARG 104 2HH2 ARG 104 -1.582 14.855 7.179 483 H GLY 105 H GLY 105 -7.093 8.286 3.869 484 HA2 GLY 105 1HA GLY 105 -8.522 8.076 2.095 485 HA3 GLY 105 2HA GLY 105 -9.177 9.692 2.440 486 H ASP 106 H ASP 106 -5.734 8.828 1.906 487 HA ASP 106 HA ASP 106 -5.408 11.005 0.067 488 HB2 ASP 106 1HB ASP 106 -3.670 9.858 1.680 489 HB3 ASP 106 2HB ASP 106 -3.359 8.828 0.286 490 H GLU 107 H GLU 107 -3.814 10.025 -2.040 491 HA GLU 107 HA GLU 107 -5.789 8.586 -3.701 492 HB2 GLU 107 1HB GLU 107 -4.658 9.394 -5.538 493 HB3 GLU 107 2HB GLU 107 -4.704 10.714 -4.362 494 HG2 GLU 107 1HG GLU 107 -2.304 10.112 -3.747 495 HG3 GLU 107 2HG GLU 107 -2.320 8.991 -5.130 496 H PHE 108 H PHE 108 -5.456 6.590 -4.602 497 HA PHE 108 HA PHE 108 -2.891 5.218 -3.954 498 HB2 PHE 108 2HB PHE 108 -5.716 4.291 -3.409 499 HB3 PHE 108 3HB PHE 108 -4.396 3.155 -3.688 500 HD1 PHE 108 2HD PHE 108 -5.442 5.992 -1.433 501 HD2 PHE 108 1HD PHE 108 -2.728 2.707 -2.092 502 HE1 PHE 108 2HE PHE 108 -4.573 6.262 0.838 503 HE2 PHE 108 1HE PHE 108 -1.850 2.987 0.219 504 HZ PHE 108 HZ PHE 108 -2.866 4.633 1.731 505 H SER 109 H SER 109 -1.990 5.123 -5.807 506 HA SER 109 HA SER 109 -3.427 4.702 -8.295 507 HB2 SER 109 1HB SER 109 -0.429 4.836 -7.667 508 HB3 SER 109 2HB SER 109 -1.162 5.147 -9.237 509 HG SER 109 HG SER 109 -0.547 7.029 -8.058 510 H PHE 110 H PHE 110 -2.258 3.154 -9.866 511 HA PHE 110 HA PHE 110 -1.879 0.537 -8.575 512 HB2 PHE 110 2HB PHE 110 -3.020 1.336 -11.291 513 HB3 PHE 110 3HB PHE 110 -2.596 -0.313 -10.898 514 HD1 PHE 110 1HD PHE 110 -4.738 2.503 -9.514 515 HD2 PHE 110 2HD PHE 110 -4.315 -1.784 -10.037 516 HE1 PHE 110 1HE PHE 110 -6.909 2.126 -8.419 517 HE2 PHE 110 2HE PHE 110 -6.511 -2.118 -9.022 518 HZ PHE 110 HZ PHE 110 -7.804 -0.190 -8.152 519 HA PRO 111 HA PRO 111 2.273 0.567 -10.033 520 HB2 PRO 111 2HB PRO 111 2.804 -2.119 -10.475 521 HB3 PRO 111 3HB PRO 111 2.576 -1.413 -8.853 522 HG2 PRO 111 2HG PRO 111 0.607 -2.908 -10.586 523 HG3 PRO 111 3HG PRO 111 0.923 -3.110 -8.831 524 HD2 PRO 111 2HD PRO 111 -1.146 -1.631 -9.849 525 HD3 PRO 111 3HD PRO 111 -0.350 -1.218 -8.298 526 HA PRO 112 HA PRO 112 2.556 0.490 -14.441 527 HB2 PRO 112 2HB PRO 112 4.988 -0.600 -15.093 528 HB3 PRO 112 3HB PRO 112 4.844 1.003 -14.297 529 HG2 PRO 112 2HG PRO 112 5.293 -1.694 -12.957 530 HG3 PRO 112 3HG PRO 112 6.278 -0.217 -12.771 531 HD2 PRO 112 2HD PRO 112 4.368 -0.755 -10.978 532 HD3 PRO 112 3HD PRO 112 4.486 0.911 -11.602 533 H GLY 113 H GLY 113 2.192 -0.946 -16.194 534 HA2 GLY 113 1HA GLY 113 1.804 -2.954 -17.270 535 HA3 GLY 113 2HA GLY 113 2.358 -3.853 -15.853 536 H PHE 114 H PHE 114 0.285 -2.021 -14.221 537 HA PHE 114 HA PHE 114 -1.855 -3.966 -14.391 538 HB2 PHE 114 2HB PHE 114 -1.169 -2.743 -12.291 539 HB3 PHE 114 3HB PHE 114 -1.863 -1.272 -12.963 540 HD1 PHE 114 1HD PHE 114 -4.409 -1.280 -13.568 541 HD2 PHE 114 2HD PHE 114 -2.520 -4.384 -11.245 542 HE1 PHE 114 1HE PHE 114 -6.623 -2.089 -12.847 543 HE2 PHE 114 2HE PHE 114 -4.747 -5.176 -10.501 544 HZ PHE 114 HZ PHE 114 -6.814 -4.034 -11.311 545 H GLU 115 H GLU 115 -1.506 -0.488 -15.120 546 HA GLU 115 HA GLU 115 -4.012 -0.369 -16.655 547 HB2 GLU 115 1HB GLU 115 -1.904 1.789 -16.274 548 HB3 GLU 115 2HB GLU 115 -3.556 2.001 -16.803 549 HG2 GLU 115 1HG GLU 115 -2.906 1.012 -13.987 550 HG3 GLU 115 2HG GLU 115 -2.817 2.707 -14.418 Start of MODEL 8 1 H1 GLY 41 H GLY 41 31.203 23.632 14.333 2 HA2 GLY 41 1HA GLY 41 33.358 22.972 12.403 3 HA3 GLY 41 2HA GLY 41 31.744 22.209 12.472 4 H ALA 42 H ALA 42 31.004 22.810 10.391 5 HA ALA 42 HA ALA 42 30.330 25.641 10.042 6 HB1 ALA 42 3HB ALA 42 31.731 23.897 7.951 7 HB2 ALA 42 1HB ALA 42 31.042 25.507 7.668 8 HB3 ALA 42 2HB ALA 42 32.430 25.326 8.756 9 H MET 43 H MET 43 28.496 25.816 8.531 10 HA MET 43 HA MET 43 26.974 23.305 8.096 11 HB2 MET 43 1HB MET 43 25.963 25.969 9.209 12 HB3 MET 43 2HB MET 43 24.930 24.629 8.707 13 HG2 MET 43 1HG MET 43 26.990 24.494 10.939 14 HG3 MET 43 2HG MET 43 25.257 24.728 11.154 15 HE1 MET 43 3HE MET 43 26.273 21.023 12.386 16 HE2 MET 43 1HE MET 43 27.330 22.447 12.371 17 HE3 MET 43 2HE MET 43 25.651 22.592 12.950 18 H GLY 44 H GLY 44 25.356 23.573 6.431 19 HA2 GLY 44 1HA GLY 44 25.634 25.788 4.509 20 HA3 GLY 44 2HA GLY 44 26.005 24.135 3.970 21 HA PRO 45 HA PRO 45 21.425 24.030 5.396 22 HB2 PRO 45 2HB PRO 45 20.018 26.327 5.735 23 HB3 PRO 45 3HB PRO 45 21.111 25.693 7.012 24 HG2 PRO 45 2HG PRO 45 21.709 27.825 4.937 25 HG3 PRO 45 3HG PRO 45 21.968 27.893 6.711 26 HD2 PRO 45 2HD PRO 45 23.954 27.206 4.946 27 HD3 PRO 45 3HD PRO 45 23.851 26.508 6.591 28 H GLN 46 H GLN 46 19.440 24.206 4.149 29 HA GLN 46 HA GLN 46 19.965 24.783 1.309 30 HB2 GLN 46 1HB GLN 46 17.804 23.608 0.949 31 HB3 GLN 46 2HB GLN 46 19.018 22.663 1.784 32 HG2 GLN 46 1HG GLN 46 17.762 23.373 3.993 33 HG3 GLN 46 2HG GLN 46 16.473 23.911 2.914 34 HE21 GLN 46 2HE2 GLN 46 14.998 22.235 3.789 35 HE22 GLN 46 1HE2 GLN 46 15.187 20.577 3.288 36 H GLY 47 H GLY 47 18.228 25.868 0.053 37 HA2 GLY 47 1HA GLY 47 17.575 28.451 1.240 38 HA3 GLY 47 2HA GLY 47 17.218 27.915 -0.411 39 H SER 48 H SER 48 15.347 26.580 -0.783 40 HA SER 48 HA SER 48 13.506 25.956 1.386 41 HB2 SER 48 1HB SER 48 12.768 27.864 -0.865 42 HB3 SER 48 2HB SER 48 11.624 27.127 0.270 43 HG SER 48 HG SER 48 13.099 28.069 1.949 44 H THR 49 H THR 49 11.450 24.820 0.148 45 HA THR 49 HA THR 49 12.542 22.545 -1.087 46 HB THR 49 HB THR 49 10.458 22.492 0.113 47 HG1 THR 49 1HG THR 49 10.248 20.886 -1.108 48 HG21 THR 49 3HG2 THR 49 8.364 23.357 -0.755 49 HG22 THR 49 1HG2 THR 49 9.188 24.133 -2.116 50 HG23 THR 49 2HG2 THR 49 9.484 24.689 -0.456 51 H GLN 50 H GLN 50 12.975 21.997 -3.134 52 HA GLN 50 HA GLN 50 12.232 23.830 -5.361 53 HB2 GLN 50 1HB GLN 50 14.601 24.230 -4.597 54 HB3 GLN 50 2HB GLN 50 14.964 22.528 -4.927 55 HG2 GLN 50 1HG GLN 50 14.382 22.897 -7.333 56 HG3 GLN 50 2HG GLN 50 14.014 24.588 -6.958 57 HE21 GLN 50 2HE2 GLN 50 16.646 22.178 -7.257 58 HE22 GLN 50 1HE2 GLN 50 17.919 23.353 -7.339 59 H ASN 51 H ASN 51 11.848 22.730 -7.338 60 HA ASN 51 HA ASN 51 11.187 19.871 -7.061 61 HB2 ASN 51 1HB ASN 51 9.519 21.414 -8.015 62 HB3 ASN 51 2HB ASN 51 10.666 21.866 -9.286 63 HD21 ASN 51 2HD2 ASN 51 9.376 21.029 -11.005 64 HD22 ASN 51 1HD2 ASN 51 9.025 19.312 -11.177 65 H ALA 52 H ALA 52 13.717 19.772 -6.750 66 HA ALA 52 HA ALA 52 15.429 20.125 -9.028 67 HB1 ALA 52 3HB ALA 52 16.238 20.048 -6.664 68 HB2 ALA 52 1HB ALA 52 15.808 18.329 -6.582 69 HB3 ALA 52 2HB ALA 52 17.074 18.877 -7.694 70 H LEU 53 H LEU 53 16.711 18.166 -9.919 71 HA LEU 53 HA LEU 53 15.099 15.721 -10.288 72 HB2 LEU 53 1HB LEU 53 15.223 15.842 -12.671 73 HB3 LEU 53 2HB LEU 53 14.225 17.134 -12.024 74 HG LEU 53 HG LEU 53 17.125 17.683 -12.789 75 HD11 LEU 53 1HD1 LEU 53 16.111 16.592 -14.746 76 HD12 LEU 53 2HD1 LEU 53 16.297 18.340 -15.049 77 HD13 LEU 53 3HD1 LEU 53 14.716 17.682 -14.635 78 HD21 LEU 53 3HD2 LEU 53 15.916 19.519 -11.614 79 HD22 LEU 53 1HD2 LEU 53 14.608 19.417 -12.801 80 HD23 LEU 53 2HD2 LEU 53 16.232 19.942 -13.283 81 H ARG 54 H ARG 54 17.425 16.224 -8.901 82 HA ARG 54 HA ARG 54 19.410 14.597 -10.468 83 HB2 ARG 54 1HB ARG 54 19.796 17.164 -10.211 84 HB3 ARG 54 2HB ARG 54 20.198 16.789 -8.539 85 HG2 ARG 54 1HG ARG 54 21.866 15.021 -9.743 86 HG3 ARG 54 2HG ARG 54 21.628 16.120 -11.105 87 HD2 ARG 54 1HD ARG 54 22.229 18.021 -9.497 88 HD3 ARG 54 2HD ARG 54 22.683 16.779 -8.320 89 HE ARG 54 HE ARG 54 23.897 17.339 -10.980 90 HH11 ARG 54 1HH1 ARG 54 24.335 15.872 -7.759 91 HH12 ARG 54 2HH1 ARG 54 25.953 15.353 -8.071 92 HH21 ARG 54 1HH2 ARG 54 25.918 16.532 -11.430 93 HH22 ARG 54 2HH2 ARG 54 26.925 15.791 -10.212 94 H ARG 55 H ARG 55 17.410 13.779 -8.337 95 HA ARG 55 HA ARG 55 17.323 12.343 -6.555 96 HB2 ARG 55 1HB ARG 55 19.029 11.121 -8.036 97 HB3 ARG 55 2HB ARG 55 20.267 11.773 -6.969 98 HG2 ARG 55 1HG ARG 55 18.904 10.617 -5.038 99 HG3 ARG 55 2HG ARG 55 18.081 9.774 -6.355 100 HD2 ARG 55 1HD ARG 55 19.878 8.360 -5.685 101 HD3 ARG 55 2HD ARG 55 20.356 9.082 -7.228 102 HE ARG 55 HE ARG 55 21.299 10.669 -5.029 103 HH11 ARG 55 1HH1 ARG 55 22.026 7.638 -6.752 104 HH12 ARG 55 2HH1 ARG 55 23.723 7.707 -6.421 105 HH21 ARG 55 1HH2 ARG 55 23.562 10.707 -4.559 106 HH22 ARG 55 2HH2 ARG 55 24.580 9.364 -5.011 107 H THR 56 H THR 56 17.653 15.080 -6.142 108 HA THR 56 HA THR 56 19.089 15.232 -3.561 109 HB THR 56 HB THR 56 19.499 17.667 -4.310 110 HG1 THR 56 1HG THR 56 19.350 18.095 -6.419 111 HG21 THR 56 3HG2 THR 56 21.514 17.062 -5.607 112 HG22 THR 56 1HG2 THR 56 20.916 15.409 -5.798 113 HG23 THR 56 2HG2 THR 56 21.314 16.021 -4.186 114 H GLY 57 H GLY 57 16.128 14.806 -4.491 115 HA2 GLY 57 1HA GLY 57 14.977 16.826 -2.634 116 HA3 GLY 57 2HA GLY 57 14.235 16.560 -4.215 117 H ARG 58 H ARG 58 12.723 16.156 -2.005 118 HA ARG 58 HA ARG 58 12.765 13.493 -0.974 119 HB2 ARG 58 1HB ARG 58 10.414 15.435 -1.009 120 HB3 ARG 58 2HB ARG 58 10.692 14.133 0.135 121 HG2 ARG 58 1HG ARG 58 12.236 16.741 -0.034 122 HG3 ARG 58 2HG ARG 58 11.104 16.224 1.222 123 HD2 ARG 58 1HD ARG 58 12.618 14.269 1.701 124 HD3 ARG 58 2HD ARG 58 13.789 14.957 0.552 125 HE ARG 58 HE ARG 58 13.273 17.011 2.325 126 HH11 ARG 58 1HH1 ARG 58 14.657 13.759 2.408 127 HH12 ARG 58 2HH1 ARG 58 15.425 13.940 3.951 128 HH21 ARG 58 1HH2 ARG 58 14.536 17.427 4.122 129 HH22 ARG 58 2HH2 ARG 58 15.553 16.219 4.855 130 H VAL 59 H VAL 59 12.093 14.174 -3.973 131 HA VAL 59 HA VAL 59 9.798 12.491 -4.301 132 HB VAL 59 HB VAL 59 10.219 12.740 -6.763 133 HG11 VAL 59 1HG1 VAL 59 8.840 14.343 -5.473 134 HG12 VAL 59 2HG1 VAL 59 10.281 15.345 -5.167 135 HG13 VAL 59 3HG1 VAL 59 9.675 15.126 -6.823 136 HG21 VAL 59 3HG2 VAL 59 12.604 14.430 -5.851 137 HG22 VAL 59 1HG2 VAL 59 12.656 12.975 -6.850 138 HG23 VAL 59 2HG2 VAL 59 11.915 14.433 -7.492 139 H ASN 60 H ASN 60 10.499 10.720 -3.091 140 HA ASN 60 HA ASN 60 12.444 8.840 -4.376 141 HB2 ASN 60 1HB ASN 60 11.640 9.485 -1.547 142 HB3 ASN 60 2HB ASN 60 11.688 7.785 -1.925 143 HD21 ASN 60 2HD2 ASN 60 13.834 10.345 -3.288 144 HD22 ASN 60 1HD2 ASN 60 15.290 9.655 -2.596 145 H GLY 61 H GLY 61 11.462 7.154 -5.484 146 HA2 GLY 61 1HA GLY 61 8.681 6.406 -4.765 147 HA3 GLY 61 2HA GLY 61 8.984 6.974 -6.403 148 H GLY 62 H GLY 62 10.547 4.687 -4.060 149 HA2 GLY 62 1HA GLY 62 10.044 2.313 -5.354 150 HA3 GLY 62 2HA GLY 62 11.498 2.930 -6.143 151 H HIS 63 H HIS 63 10.322 1.173 -3.499 152 HA HIS 63 HA HIS 63 12.941 1.129 -2.135 153 HB2 HIS 63 1HB HIS 63 10.169 1.315 -0.889 154 HB3 HIS 63 2HB HIS 63 11.571 0.749 0.003 155 HD1 HIS 63 HD1 HIS 63 13.753 2.731 -0.073 156 HD2 HIS 63 HD2 HIS 63 9.711 3.819 -0.598 157 HE1 HIS 63 HE1 HIS 63 13.602 5.211 0.402 158 HA PRO 64 HA PRO 64 12.168 -3.217 -2.739 159 HB2 PRO 64 2HB PRO 64 13.615 -4.421 -0.743 160 HB3 PRO 64 3HB PRO 64 14.389 -3.550 -2.094 161 HG2 PRO 64 2HG PRO 64 13.790 -2.501 0.682 162 HG3 PRO 64 3HG PRO 64 15.329 -2.385 -0.223 163 HD2 PRO 64 2HD PRO 64 13.516 -0.352 -0.125 164 HD3 PRO 64 3HD PRO 64 14.457 -0.695 -1.617 165 H VAL 65 H VAL 65 10.239 -4.249 -2.290 166 HA VAL 65 HA VAL 65 9.299 -4.359 0.550 167 HB VAL 65 HB VAL 65 7.070 -3.985 -0.053 168 HG11 VAL 65 1HG1 VAL 65 7.163 -1.662 -0.975 169 HG12 VAL 65 2HG1 VAL 65 8.343 -1.944 0.325 170 HG13 VAL 65 3HG1 VAL 65 8.849 -1.881 -1.363 171 HG21 VAL 65 3HG2 VAL 65 6.200 -3.508 -2.227 172 HG22 VAL 65 1HG2 VAL 65 7.796 -3.622 -2.969 173 HG23 VAL 65 2HG2 VAL 65 7.002 -5.078 -2.300 174 H THR 66 H THR 66 7.818 -6.097 1.044 175 HA THR 66 HA THR 66 8.317 -8.576 -0.492 176 HB THR 66 HB THR 66 8.298 -9.523 1.947 177 HG1 THR 66 1HG THR 66 9.330 -7.534 3.204 178 HG21 THR 66 3HG2 THR 66 10.366 -9.208 0.464 179 HG22 THR 66 1HG2 THR 66 10.658 -9.128 2.191 180 HG23 THR 66 2HG2 THR 66 10.609 -7.642 1.243 181 H THR 67 H THR 67 6.577 -10.265 0.012 182 HA THR 67 HA THR 67 3.994 -9.212 -0.441 183 HB THR 67 HB THR 67 4.894 -11.904 0.678 184 HG1 THR 67 1HG THR 67 4.645 -10.849 -1.943 185 HG21 THR 67 3HG2 THR 67 2.309 -11.156 -0.780 186 HG22 THR 67 1HG2 THR 67 2.449 -11.671 0.913 187 HG23 THR 67 2HG2 THR 67 2.827 -12.813 -0.380 188 H GLN 68 H GLN 68 5.591 -10.220 2.608 189 HA GLN 68 HA GLN 68 3.362 -10.113 4.315 190 HB2 GLN 68 1HB GLN 68 4.936 -9.946 6.134 191 HB3 GLN 68 2HB GLN 68 5.571 -11.021 4.903 192 HG2 GLN 68 1HG GLN 68 6.684 -8.626 4.097 193 HG3 GLN 68 2HG GLN 68 6.549 -8.324 5.824 194 HE21 GLN 68 2HE2 GLN 68 7.521 -11.013 3.570 195 HE22 GLN 68 1HE2 GLN 68 8.908 -11.488 4.511 196 H MET 69 H MET 69 5.323 -7.339 3.049 197 HA MET 69 HA MET 69 4.205 -5.471 4.937 198 HB2 MET 69 1HB MET 69 5.402 -5.147 2.170 199 HB3 MET 69 2HB MET 69 4.897 -3.789 3.202 200 HG2 MET 69 1HG MET 69 6.545 -4.351 4.870 201 HG3 MET 69 2HG MET 69 6.955 -5.854 4.035 202 HE1 MET 69 3HE MET 69 6.459 -2.140 2.439 203 HE2 MET 69 1HE MET 69 7.214 -1.928 4.032 204 HE3 MET 69 2HE MET 69 8.132 -1.580 2.562 205 H VAL 70 H VAL 70 3.280 -6.525 1.615 206 HA VAL 70 HA VAL 70 1.093 -4.893 1.104 207 HB VAL 70 HB VAL 70 1.261 -7.781 0.216 208 HG11 VAL 70 1HG1 VAL 70 -0.842 -6.614 -0.265 209 HG12 VAL 70 2HG1 VAL 70 0.077 -5.377 -1.158 210 HG13 VAL 70 3HG1 VAL 70 0.064 -7.055 -1.712 211 HG21 VAL 70 3HG2 VAL 70 3.427 -6.813 -0.231 212 HG22 VAL 70 1HG2 VAL 70 2.522 -6.983 -1.729 213 HG23 VAL 70 2HG2 VAL 70 2.672 -5.380 -0.969 214 H GLU 71 H GLU 71 0.981 -8.145 2.465 215 HA GLU 71 HA GLU 71 -1.794 -8.028 3.059 216 HB2 GLU 71 1HB GLU 71 -1.349 -9.826 4.771 217 HB3 GLU 71 2HB GLU 71 -0.937 -10.189 3.084 218 HG2 GLU 71 1HG GLU 71 1.334 -10.042 3.462 219 HG3 GLU 71 2HG GLU 71 1.132 -9.157 4.967 220 H THR 72 H THR 72 0.980 -6.945 5.058 221 HA THR 72 HA THR 72 -0.477 -6.470 7.427 222 HB THR 72 HB THR 72 1.761 -4.718 6.385 223 HG1 THR 72 1HG THR 72 2.448 -6.845 6.448 224 HG21 THR 72 3HG2 THR 72 0.910 -5.318 9.244 225 HG22 THR 72 1HG2 THR 72 0.521 -3.809 8.396 226 HG23 THR 72 2HG2 THR 72 2.198 -4.205 8.734 227 H VAL 73 H VAL 73 0.199 -3.997 4.847 228 HA VAL 73 HA VAL 73 -1.636 -2.056 5.798 229 HB VAL 73 HB VAL 73 -0.927 -2.773 2.952 230 HG11 VAL 73 1HG1 VAL 73 -1.580 -0.560 2.216 231 HG12 VAL 73 2HG1 VAL 73 -2.952 -1.508 2.748 232 HG13 VAL 73 3HG1 VAL 73 -2.311 -0.224 3.809 233 HG21 VAL 73 3HG2 VAL 73 0.595 -0.908 3.018 234 HG22 VAL 73 1HG2 VAL 73 0.066 -0.440 4.649 235 HG23 VAL 73 2HG2 VAL 73 0.947 -1.985 4.365 236 H GLN 74 H GLN 74 -2.206 -4.643 3.361 237 HA GLN 74 HA GLN 74 -4.893 -4.105 2.896 238 HB2 GLN 74 1HB GLN 74 -3.574 -5.786 1.641 239 HB3 GLN 74 2HB GLN 74 -3.612 -6.839 3.045 240 HG2 GLN 74 1HG GLN 74 -5.246 -7.705 1.613 241 HG3 GLN 74 2HG GLN 74 -6.142 -6.914 2.875 242 HE21 GLN 74 2HE2 GLN 74 -6.642 -4.260 2.074 243 HE22 GLN 74 1HE2 GLN 74 -7.202 -4.300 0.412 244 H ASN 75 H ASN 75 -3.647 -6.041 5.644 245 HA ASN 75 HA ASN 75 -6.244 -6.815 6.636 246 HB2 ASN 75 1HB ASN 75 -3.544 -6.474 7.980 247 HB3 ASN 75 2HB ASN 75 -4.961 -6.887 8.908 248 HD21 ASN 75 2HD2 ASN 75 -2.585 -8.019 6.775 249 HD22 ASN 75 1HD2 ASN 75 -2.789 -9.709 7.169 250 H LEU 76 H LEU 76 -4.122 -3.975 7.179 251 HA LEU 76 HA LEU 76 -6.022 -2.874 9.167 252 HB2 LEU 76 1HB LEU 76 -3.608 -1.490 7.983 253 HB3 LEU 76 2HB LEU 76 -4.496 -1.074 9.444 254 HG LEU 76 HG LEU 76 -2.642 -3.426 9.000 255 HD11 LEU 76 1HD1 LEU 76 -2.653 -1.225 11.068 256 HD12 LEU 76 2HD1 LEU 76 -1.584 -1.364 9.646 257 HD13 LEU 76 3HD1 LEU 76 -1.471 -2.550 10.952 258 HD21 LEU 76 3HD2 LEU 76 -4.448 -4.465 10.178 259 HD22 LEU 76 1HD2 LEU 76 -4.554 -3.091 11.312 260 HD23 LEU 76 2HD2 LEU 76 -3.136 -4.182 11.302 261 H ALA 77 H ALA 77 -5.666 -2.712 5.752 262 HA ALA 77 HA ALA 77 -7.696 -0.597 5.461 263 HB1 ALA 77 3HB ALA 77 -6.412 0.190 3.503 264 HB2 ALA 77 1HB ALA 77 -5.408 0.286 4.973 265 HB3 ALA 77 2HB ALA 77 -5.163 -1.019 3.803 266 HA PRO 78 HA PRO 78 -8.687 -4.612 3.272 267 HB2 PRO 78 2HB PRO 78 -11.258 -4.964 4.118 268 HB3 PRO 78 3HB PRO 78 -9.839 -5.437 5.103 269 HG2 PRO 78 2HG PRO 78 -11.436 -2.857 5.288 270 HG3 PRO 78 3HG PRO 78 -10.993 -3.977 6.615 271 HD2 PRO 78 2HD PRO 78 -9.519 -1.759 6.084 272 HD3 PRO 78 3HD PRO 78 -8.728 -3.297 6.558 273 H ASN 79 H ASN 79 -9.906 -1.400 3.276 274 HA ASN 79 HA ASN 79 -11.804 -1.742 1.083 275 HB2 ASN 79 1HB ASN 79 -12.195 -0.189 2.993 276 HB3 ASN 79 2HB ASN 79 -10.787 0.745 2.498 277 HD21 ASN 79 2HD2 ASN 79 -13.394 -0.643 0.277 278 HD22 ASN 79 1HD2 ASN 79 -13.951 0.943 -0.141 279 H LEU 80 H LEU 80 -8.665 -2.136 0.846 280 HA LEU 80 HA LEU 80 -8.336 -0.483 -1.629 281 HB2 LEU 80 1HB LEU 80 -6.309 -1.349 0.476 282 HB3 LEU 80 2HB LEU 80 -5.843 -0.760 -1.113 283 HG LEU 80 HG LEU 80 -7.352 0.838 0.994 284 HD11 LEU 80 1HD1 LEU 80 -5.204 2.105 1.072 285 HD12 LEU 80 2HD1 LEU 80 -4.513 0.965 -0.104 286 HD13 LEU 80 3HD1 LEU 80 -4.985 0.399 1.517 287 HD21 LEU 80 3HD2 LEU 80 -6.457 1.605 -1.839 288 HD22 LEU 80 1HD2 LEU 80 -6.894 2.776 -0.577 289 HD23 LEU 80 2HD2 LEU 80 -8.109 1.648 -1.156 290 H HIS 81 H HIS 81 -7.008 -1.480 -3.330 291 HA HIS 81 HA HIS 81 -7.619 -4.293 -3.625 292 HB2 HIS 81 1HB HIS 81 -7.658 -2.411 -5.449 293 HB3 HIS 81 2HB HIS 81 -5.913 -2.516 -5.378 294 HD2 HIS 81 HD2 HIS 81 -8.984 -4.609 -6.422 295 HE1 HIS 81 HE1 HIS 81 -5.540 -6.344 -8.220 296 HE2 HIS 81 HE2 HIS 81 -8.097 -6.398 -8.111 297 HA PRO 82 HA PRO 82 -3.665 -5.529 -1.945 298 HB2 PRO 82 2HB PRO 82 -3.221 -7.946 -3.169 299 HB3 PRO 82 3HB PRO 82 -4.358 -7.662 -1.824 300 HG2 PRO 82 2HG PRO 82 -4.973 -7.777 -4.790 301 HG3 PRO 82 3HG PRO 82 -5.862 -8.559 -3.437 302 HD2 PRO 82 2HD PRO 82 -6.641 -6.196 -4.570 303 HD3 PRO 82 3HD PRO 82 -6.872 -6.505 -2.818 304 H GLU 83 H GLU 83 -4.079 -5.275 -5.461 305 HA GLU 83 HA GLU 83 -1.279 -5.446 -5.977 306 HB2 GLU 83 1HB GLU 83 -3.504 -5.823 -7.429 307 HB3 GLU 83 2HB GLU 83 -3.293 -4.113 -7.817 308 HG2 GLU 83 1HG GLU 83 -2.305 -5.127 -9.572 309 HG3 GLU 83 2HG GLU 83 -0.873 -4.907 -8.553 310 H GLN 84 H GLN 84 -3.556 -2.736 -5.499 311 HA GLN 84 HA GLN 84 -1.839 -0.599 -6.307 312 HB2 GLN 84 1HB GLN 84 -3.934 -0.678 -4.080 313 HB3 GLN 84 2HB GLN 84 -3.170 0.782 -4.674 314 HG2 GLN 84 1HG GLN 84 -4.168 0.536 -6.857 315 HG3 GLN 84 2HG GLN 84 -4.834 -1.038 -6.431 316 HE21 GLN 84 2HE2 GLN 84 -5.090 2.450 -5.919 317 HE22 GLN 84 1HE2 GLN 84 -6.626 2.460 -5.172 318 H ILE 85 H ILE 85 -2.355 -2.205 -3.198 319 HA ILE 85 HA ILE 85 -0.846 -0.701 -1.482 320 HB ILE 85 HB ILE 85 -1.430 -3.669 -1.586 321 HG12 ILE 85 1HG1 ILE 85 -2.647 -1.484 0.162 322 HG13 ILE 85 2HG1 ILE 85 -3.366 -1.965 -1.366 323 HG21 ILE 85 1HG2 ILE 85 0.529 -3.254 -0.154 324 HG22 ILE 85 2HG2 ILE 85 -0.347 -1.972 0.693 325 HG23 ILE 85 3HG2 ILE 85 -0.882 -3.679 0.812 326 HD11 ILE 85 3HD1 ILE 85 -4.544 -3.285 0.136 327 HD12 ILE 85 1HD1 ILE 85 -3.252 -4.388 -0.385 328 HD13 ILE 85 2HD1 ILE 85 -3.122 -3.555 1.165 329 H ARG 86 H ARG 86 0.410 -3.553 -3.304 330 HA ARG 86 HA ARG 86 3.040 -3.293 -2.412 331 HB2 ARG 86 1HB ARG 86 2.562 -5.214 -3.601 332 HB3 ARG 86 2HB ARG 86 1.790 -4.374 -4.936 333 HG2 ARG 86 1HG ARG 86 4.759 -3.958 -4.476 334 HG3 ARG 86 2HG ARG 86 4.208 -5.472 -5.184 335 HD2 ARG 86 1HD ARG 86 3.331 -4.459 -7.126 336 HD3 ARG 86 2HD ARG 86 3.047 -2.943 -6.359 337 HE ARG 86 HE ARG 86 5.254 -2.317 -6.467 338 HH11 ARG 86 1HH1 ARG 86 4.651 -5.453 -8.158 339 HH12 ARG 86 2HH1 ARG 86 6.072 -5.377 -9.126 340 HH21 ARG 86 1HH2 ARG 86 7.384 -2.528 -7.465 341 HH22 ARG 86 2HH2 ARG 86 7.721 -3.764 -8.626 342 H TYR 87 H TYR 87 1.584 -1.423 -5.157 343 HA TYR 87 HA TYR 87 4.009 -0.086 -5.831 344 HB2 TYR 87 2HB TYR 87 1.905 -0.263 -7.227 345 HB3 TYR 87 3HB TYR 87 1.144 0.893 -6.161 346 HD1 TYR 87 2HD TYR 87 4.559 0.780 -7.782 347 HD2 TYR 87 1HD TYR 87 0.807 2.933 -7.381 348 HE1 TYR 87 2HE TYR 87 5.379 2.517 -9.287 349 HE2 TYR 87 1HE TYR 87 1.661 4.668 -8.868 350 HH TYR 87 HH TYR 87 4.972 4.646 -10.192 351 H SER 88 H SER 88 1.441 0.589 -3.626 352 HA SER 88 HA SER 88 2.056 3.255 -2.817 353 HB2 SER 88 1HB SER 88 0.888 1.137 -0.989 354 HB3 SER 88 2HB SER 88 0.646 2.867 -0.936 355 HG SER 88 HG SER 88 -0.047 1.915 -3.339 356 H LEU 89 H LEU 89 2.872 0.154 -1.237 357 HA LEU 89 HA LEU 89 4.637 1.050 0.777 358 HB2 LEU 89 1HB LEU 89 4.823 -1.438 -0.952 359 HB3 LEU 89 2HB LEU 89 5.697 -1.141 0.563 360 HG LEU 89 HG LEU 89 2.685 -1.352 0.362 361 HD11 LEU 89 1HD1 LEU 89 3.389 -3.658 1.386 362 HD12 LEU 89 2HD1 LEU 89 5.018 -3.267 0.876 363 HD13 LEU 89 3HD1 LEU 89 3.707 -3.403 -0.310 364 HD21 LEU 89 3HD2 LEU 89 3.345 0.050 2.197 365 HD22 LEU 89 1HD2 LEU 89 4.579 -1.113 2.749 366 HD23 LEU 89 2HD2 LEU 89 2.843 -1.466 2.835 367 H GLU 90 H GLU 90 5.324 0.270 -2.701 368 HA GLU 90 HA GLU 90 8.183 0.513 -2.308 369 HB2 GLU 90 1HB GLU 90 6.365 0.606 -4.749 370 HB3 GLU 90 2HB GLU 90 8.098 0.928 -4.832 371 HG2 GLU 90 1HG GLU 90 8.366 -1.317 -3.502 372 HG3 GLU 90 2HG GLU 90 6.688 -1.618 -3.885 373 H ASN 91 H ASN 91 5.624 2.774 -3.001 374 HA ASN 91 HA ASN 91 7.455 4.987 -3.556 375 HB2 ASN 91 1HB ASN 91 4.449 4.738 -3.325 376 HB3 ASN 91 2HB ASN 91 5.213 6.321 -3.267 377 HD21 ASN 91 2HD2 ASN 91 4.768 3.445 -5.276 378 HD22 ASN 91 1HD2 ASN 91 5.523 4.065 -6.734 379 H THR 92 H THR 92 5.359 4.145 -0.664 380 HA THR 92 HA THR 92 6.228 6.373 0.883 381 HB THR 92 HB THR 92 5.007 5.078 2.632 382 HG1 THR 92 1HG THR 92 3.985 3.109 1.875 383 HG21 THR 92 3HG2 THR 92 3.553 5.071 -0.053 384 HG22 THR 92 1HG2 THR 92 3.588 6.394 1.145 385 HG23 THR 92 2HG2 THR 92 2.783 4.856 1.523 386 H GLY 93 H GLY 93 7.100 2.924 0.685 387 HA2 GLY 93 1HA GLY 93 9.095 1.855 1.131 388 HA3 GLY 93 2HA GLY 93 9.733 3.292 1.949 389 H SER 94 H SER 94 6.711 3.001 3.244 390 HA SER 94 HA SER 94 7.389 0.973 5.283 391 HB2 SER 94 1HB SER 94 6.549 3.777 6.040 392 HB3 SER 94 2HB SER 94 7.203 2.492 7.080 393 HG SER 94 HG SER 94 9.217 2.791 6.108 394 H VAL 95 H VAL 95 5.658 0.034 6.152 395 HA VAL 95 HA VAL 95 3.106 0.104 4.834 396 HB VAL 95 HB VAL 95 4.138 -1.195 7.390 397 HG11 VAL 95 1HG1 VAL 95 1.945 -1.154 8.002 398 HG12 VAL 95 2HG1 VAL 95 1.338 -1.107 6.360 399 HG13 VAL 95 3HG1 VAL 95 1.962 -2.617 7.011 400 HG21 VAL 95 3HG2 VAL 95 4.125 -3.224 6.109 401 HG22 VAL 95 1HG2 VAL 95 3.377 -2.407 4.731 402 HG23 VAL 95 2HG2 VAL 95 5.036 -1.995 5.224 403 H GLU 96 H GLU 96 4.299 1.283 7.981 404 HA GLU 96 HA GLU 96 2.055 2.306 9.149 405 HB2 GLU 96 1HB GLU 96 3.575 3.728 10.404 406 HB3 GLU 96 2HB GLU 96 4.309 2.155 10.114 407 HG2 GLU 96 1HG GLU 96 5.423 3.402 8.056 408 HG3 GLU 96 2HG GLU 96 5.000 4.861 8.942 409 H GLU 97 H GLU 97 4.113 4.025 6.797 410 HA GLU 97 HA GLU 97 2.568 6.429 6.799 411 HB2 GLU 97 1HB GLU 97 4.860 6.413 5.946 412 HB3 GLU 97 2HB GLU 97 4.442 5.224 4.712 413 HG2 GLU 97 1HG GLU 97 4.708 7.339 3.659 414 HG3 GLU 97 2HG GLU 97 3.044 6.857 3.543 415 H THR 98 H THR 98 2.552 3.595 4.684 416 HA THR 98 HA THR 98 0.568 4.318 2.871 417 HB THR 98 HB THR 98 1.120 1.506 3.861 418 HG1 THR 98 1HG THR 98 3.106 2.300 3.403 419 HG21 THR 98 3HG2 THR 98 0.307 2.675 1.185 420 HG22 THR 98 1HG2 THR 98 -0.731 1.726 2.265 421 HG23 THR 98 2HG2 THR 98 0.672 0.958 1.485 422 H VAL 99 H VAL 99 0.198 2.810 6.026 423 HA VAL 99 HA VAL 99 -2.708 2.524 5.803 424 HB VAL 99 HB VAL 99 -0.839 2.275 8.194 425 HG11 VAL 99 1HG1 VAL 99 -3.103 2.715 9.042 426 HG12 VAL 99 2HG1 VAL 99 -3.780 1.494 7.948 427 HG13 VAL 99 3HG1 VAL 99 -2.702 1.014 9.277 428 HG21 VAL 99 3HG2 VAL 99 -1.177 -0.155 7.861 429 HG22 VAL 99 1HG2 VAL 99 -2.185 0.179 6.430 430 HG23 VAL 99 2HG2 VAL 99 -0.456 0.587 6.449 431 H GLU 100 H GLU 100 -0.475 4.960 7.174 432 HA GLU 100 HA GLU 100 -2.528 6.425 8.558 433 HB2 GLU 100 1HB GLU 100 0.369 6.893 7.868 434 HB3 GLU 100 2HB GLU 100 -0.608 8.175 8.590 435 HG2 GLU 100 1HG GLU 100 -1.201 6.821 10.493 436 HG3 GLU 100 2HG GLU 100 -0.483 5.374 9.796 437 H ARG 101 H ARG 101 -1.172 6.541 5.318 438 HA ARG 101 HA ARG 101 -2.587 9.021 4.740 439 HB2 ARG 101 1HB ARG 101 -1.705 8.793 2.501 440 HB3 ARG 101 2HB ARG 101 -0.443 8.539 3.728 441 HG2 ARG 101 1HG ARG 101 -0.949 6.029 3.432 442 HG3 ARG 101 2HG ARG 101 -1.753 6.514 1.980 443 HD2 ARG 101 1HD ARG 101 1.129 6.747 2.726 444 HD3 ARG 101 2HD ARG 101 0.478 5.850 1.372 445 HE ARG 101 HE ARG 101 0.909 8.710 1.806 446 HH11 ARG 101 1HH1 ARG 101 -0.629 6.567 -0.577 447 HH12 ARG 101 2HH1 ARG 101 -1.373 7.861 -1.456 448 HH21 ARG 101 1HH2 ARG 101 0.560 10.311 0.358 449 HH22 ARG 101 2HH2 ARG 101 -0.654 10.109 -0.878 450 H TYR 102 H TYR 102 -2.985 5.585 4.283 451 HA TYR 102 HA TYR 102 -5.300 5.533 2.590 452 HB2 TYR 102 2HB TYR 102 -4.409 3.468 2.967 453 HB3 TYR 102 3HB TYR 102 -4.164 3.715 4.684 454 HD1 TYR 102 1HD TYR 102 -6.908 3.283 2.170 455 HD2 TYR 102 2HD TYR 102 -5.677 2.943 6.288 456 HE1 TYR 102 1HE TYR 102 -9.021 2.132 2.691 457 HE2 TYR 102 2HE TYR 102 -7.774 1.803 6.839 458 HH TYR 102 HH TYR 102 -10.002 1.482 5.967 459 H LEU 103 H LEU 103 -5.203 5.531 6.211 460 HA LEU 103 HA LEU 103 -7.998 5.975 6.417 461 HB2 LEU 103 1HB LEU 103 -7.599 6.578 8.750 462 HB3 LEU 103 2HB LEU 103 -6.807 5.097 8.248 463 HG LEU 103 HG LEU 103 -4.692 6.601 7.949 464 HD11 LEU 103 1HD1 LEU 103 -4.526 8.438 9.614 465 HD12 LEU 103 2HD1 LEU 103 -6.269 8.303 9.924 466 HD13 LEU 103 3HD1 LEU 103 -5.659 8.839 8.340 467 HD21 LEU 103 3HD2 LEU 103 -4.879 4.801 9.572 468 HD22 LEU 103 1HD2 LEU 103 -5.807 5.849 10.671 469 HD23 LEU 103 2HD2 LEU 103 -4.095 6.195 10.326 470 H ARG 104 H ARG 104 -5.460 8.238 5.623 471 HA ARG 104 HA ARG 104 -7.042 10.600 6.316 472 HB2 ARG 104 1HB ARG 104 -5.123 11.702 6.014 473 HB3 ARG 104 2HB ARG 104 -4.340 10.175 5.705 474 HG2 ARG 104 1HG ARG 104 -5.032 10.576 3.216 475 HG3 ARG 104 2HG ARG 104 -5.345 12.226 3.701 476 HD2 ARG 104 1HD ARG 104 -2.660 10.812 3.988 477 HD3 ARG 104 2HD ARG 104 -3.134 11.811 2.614 478 HE ARG 104 HE ARG 104 -3.601 13.379 4.744 479 HH11 ARG 104 1HH1 ARG 104 -0.670 11.796 3.352 480 HH12 ARG 104 2HH1 ARG 104 0.417 12.877 4.104 481 HH21 ARG 104 1HH2 ARG 104 -2.006 14.499 6.031 482 HH22 ARG 104 2HH2 ARG 104 -0.357 14.620 5.467 483 H GLY 105 H GLY 105 -7.076 8.282 3.720 484 HA2 GLY 105 1HA GLY 105 -8.551 8.089 1.997 485 HA3 GLY 105 2HA GLY 105 -9.217 9.699 2.359 486 H ASP 106 H ASP 106 -5.759 8.886 1.829 487 HA ASP 106 HA ASP 106 -5.419 11.084 0.003 488 HB2 ASP 106 1HB ASP 106 -3.646 9.976 1.571 489 HB3 ASP 106 2HB ASP 106 -3.372 8.875 0.247 490 H GLU 107 H GLU 107 -3.830 10.095 -2.147 491 HA GLU 107 HA GLU 107 -5.711 8.495 -3.796 492 HB2 GLU 107 1HB GLU 107 -3.321 10.262 -4.370 493 HB3 GLU 107 2HB GLU 107 -4.006 9.193 -5.591 494 HG2 GLU 107 1HG GLU 107 -5.758 11.193 -4.119 495 HG3 GLU 107 2HG GLU 107 -4.781 11.652 -5.510 496 H PHE 108 H PHE 108 -5.223 6.662 -4.746 497 HA PHE 108 HA PHE 108 -2.693 5.321 -4.010 498 HB2 PHE 108 2HB PHE 108 -5.528 4.367 -3.482 499 HB3 PHE 108 3HB PHE 108 -4.184 3.250 -3.668 500 HD1 PHE 108 1HD PHE 108 -2.445 3.049 -2.077 501 HD2 PHE 108 2HD PHE 108 -5.525 5.991 -1.489 502 HE1 PHE 108 1HE PHE 108 -1.674 3.411 0.303 503 HE2 PHE 108 2HE PHE 108 -4.728 6.369 0.810 504 HZ PHE 108 HZ PHE 108 -2.947 4.880 1.754 505 H SER 109 H SER 109 -1.814 5.121 -5.902 506 HA SER 109 HA SER 109 -3.337 4.478 -8.313 507 HB2 SER 109 1HB SER 109 -0.619 4.514 -8.987 508 HB3 SER 109 2HB SER 109 -1.702 5.886 -9.043 509 HG SER 109 HG SER 109 -0.255 6.708 -7.831 510 H PHE 110 H PHE 110 -2.138 2.873 -9.838 511 HA PHE 110 HA PHE 110 -1.801 0.286 -8.414 512 HB2 PHE 110 2HB PHE 110 -2.836 1.108 -11.143 513 HB3 PHE 110 3HB PHE 110 -2.249 -0.508 -10.876 514 HD1 PHE 110 1HD PHE 110 -4.898 1.907 -9.865 515 HD2 PHE 110 2HD PHE 110 -3.471 -2.158 -9.631 516 HE1 PHE 110 1HE PHE 110 -7.072 1.186 -8.919 517 HE2 PHE 110 2HE PHE 110 -5.651 -2.868 -8.688 518 HZ PHE 110 HZ PHE 110 -7.457 -1.194 -8.319 519 HA PRO 111 HA PRO 111 2.403 0.169 -9.678 520 HB2 PRO 111 2HB PRO 111 2.827 -2.478 -10.443 521 HB3 PRO 111 3HB PRO 111 2.715 -1.905 -8.749 522 HG2 PRO 111 2HG PRO 111 0.609 -3.215 -10.454 523 HG3 PRO 111 3HG PRO 111 0.956 -3.463 -8.715 524 HD2 PRO 111 2HD PRO 111 -1.095 -1.901 -9.657 525 HD3 PRO 111 3HD PRO 111 -0.267 -1.546 -8.124 526 HA PRO 112 HA PRO 112 2.763 0.712 -13.991 527 HB2 PRO 112 2HB PRO 112 5.374 0.148 -14.615 528 HB3 PRO 112 3HB PRO 112 4.886 1.575 -13.657 529 HG2 PRO 112 2HG PRO 112 5.839 -1.105 -12.614 530 HG3 PRO 112 3HG PRO 112 6.410 0.529 -12.141 531 HD2 PRO 112 2HD PRO 112 4.556 -0.801 -10.671 532 HD3 PRO 112 3HD PRO 112 4.411 0.966 -10.939 533 H GLY 113 H GLY 113 2.193 -0.411 -15.768 534 HA2 GLY 113 1HA GLY 113 2.218 -2.187 -17.316 535 HA3 GLY 113 2HA GLY 113 2.943 -3.259 -16.112 536 H PHE 114 H PHE 114 0.557 -1.623 -14.458 537 HA PHE 114 HA PHE 114 -1.249 -3.901 -14.484 538 HB2 PHE 114 2HB PHE 114 -0.787 -2.663 -12.422 539 HB3 PHE 114 3HB PHE 114 -1.459 -1.187 -13.105 540 HD1 PHE 114 1HD PHE 114 -3.857 -0.976 -13.627 541 HD2 PHE 114 2HD PHE 114 -2.256 -4.401 -11.591 542 HE1 PHE 114 1HE PHE 114 -6.151 -1.631 -12.955 543 HE2 PHE 114 2HE PHE 114 -4.538 -4.985 -10.795 544 HZ PHE 114 HZ PHE 114 -6.497 -3.650 -11.590 545 H GLU 115 H GLU 115 -1.141 -0.635 -15.857 546 HA GLU 115 HA GLU 115 -3.823 -0.346 -16.646 547 HB2 GLU 115 1HB GLU 115 -1.215 0.914 -17.540 548 HB3 GLU 115 2HB GLU 115 -2.738 1.290 -18.366 549 HG2 GLU 115 1HG GLU 115 -3.785 1.931 -16.253 550 HG3 GLU 115 2HG GLU 115 -2.305 1.573 -15.364 Start of MODEL 9 1 H1 GLY 41 H GLY 41 64.097 21.921 20.564 2 HA2 GLY 41 1HA GLY 41 61.973 22.755 21.529 3 HA3 GLY 41 2HA GLY 41 61.606 23.419 19.918 4 H ALA 42 H ALA 42 59.614 21.793 20.593 5 HA ALA 42 HA ALA 42 59.958 19.404 19.003 6 HB1 ALA 42 3HB ALA 42 59.038 17.953 20.789 7 HB2 ALA 42 1HB ALA 42 60.598 18.621 21.285 8 HB3 ALA 42 2HB ALA 42 59.087 19.303 21.940 9 H MET 43 H MET 43 57.579 18.346 19.068 10 HA MET 43 HA MET 43 55.373 20.135 19.470 11 HB2 MET 43 1HB MET 43 54.641 20.099 17.116 12 HB3 MET 43 2HB MET 43 56.125 21.007 17.309 13 HG2 MET 43 1HG MET 43 56.004 18.125 16.330 14 HG3 MET 43 2HG MET 43 55.971 19.520 15.269 15 HE1 MET 43 3HE MET 43 59.560 20.986 15.468 16 HE2 MET 43 1HE MET 43 57.944 21.101 14.739 17 HE3 MET 43 2HE MET 43 58.185 21.531 16.452 18 H GLY 44 H GLY 44 53.347 18.732 18.322 19 HA2 GLY 44 1HA GLY 44 53.814 15.855 18.561 20 HA3 GLY 44 2HA GLY 44 52.740 16.608 19.762 21 HA PRO 45 HA PRO 45 50.500 15.735 15.672 22 HB2 PRO 45 2HB PRO 45 48.850 13.677 16.418 23 HB3 PRO 45 3HB PRO 45 50.530 13.417 15.855 24 HG2 PRO 45 2HG PRO 45 49.518 13.562 18.716 25 HG3 PRO 45 3HG PRO 45 50.609 12.345 17.987 26 HD2 PRO 45 2HD PRO 45 51.543 14.482 19.415 27 HD3 PRO 45 3HD PRO 45 52.440 13.828 18.009 28 H GLN 46 H GLN 46 48.627 16.857 15.267 29 HA GLN 46 HA GLN 46 47.230 18.105 17.523 30 HB2 GLN 46 1HB GLN 46 46.944 18.461 14.511 31 HB3 GLN 46 2HB GLN 46 46.157 19.452 15.750 32 HG2 GLN 46 1HG GLN 46 48.402 20.119 16.631 33 HG3 GLN 46 2HG GLN 46 49.172 19.240 15.307 34 HE21 GLN 46 2HE2 GLN 46 48.037 19.919 12.974 35 HE22 GLN 46 1HE2 GLN 46 47.938 21.673 12.846 36 H GLY 47 H GLY 47 46.699 15.225 15.767 37 HA2 GLY 47 1HA GLY 47 44.913 13.745 15.902 38 HA3 GLY 47 2HA GLY 47 44.061 14.907 16.942 39 H SER 48 H SER 48 42.146 14.153 15.559 40 HA SER 48 HA SER 48 41.565 16.061 13.520 41 HB2 SER 48 1HB SER 48 41.043 14.264 11.789 42 HB3 SER 48 2HB SER 48 42.754 14.596 12.052 43 HG SER 48 HG SER 48 42.400 12.378 12.002 44 H THR 49 H THR 49 39.182 15.440 12.664 45 HA THR 49 HA THR 49 37.587 13.783 14.324 46 HB THR 49 HB THR 49 37.945 15.703 15.873 47 HG1 THR 49 1HG THR 49 35.861 15.886 16.410 48 HG21 THR 49 3HG2 THR 49 38.170 17.555 14.233 49 HG22 THR 49 1HG2 THR 49 36.937 17.883 15.463 50 HG23 THR 49 2HG2 THR 49 36.448 17.390 13.834 51 H GLN 50 H GLN 50 35.140 14.514 13.645 52 HA GLN 50 HA GLN 50 34.946 15.427 10.868 53 HB2 GLN 50 1HB GLN 50 34.192 12.598 11.753 54 HB3 GLN 50 2HB GLN 50 33.586 13.353 10.280 55 HG2 GLN 50 1HG GLN 50 36.026 13.714 9.598 56 HG3 GLN 50 2HG GLN 50 36.451 12.593 10.901 57 HE21 GLN 50 2HE2 GLN 50 36.073 12.655 7.670 58 HE22 GLN 50 1HE2 GLN 50 35.505 11.045 7.360 59 H ASN 51 H ASN 51 32.477 15.181 10.265 60 HA ASN 51 HA ASN 51 30.755 15.930 12.551 61 HB2 ASN 51 1HB ASN 51 29.851 17.778 11.447 62 HB3 ASN 51 2HB ASN 51 31.579 17.958 11.197 63 HD21 ASN 51 2HD2 ASN 51 28.762 18.511 9.522 64 HD22 ASN 51 1HD2 ASN 51 29.360 18.103 7.942 65 H ALA 52 H ALA 52 28.428 16.043 11.733 66 HA ALA 52 HA ALA 52 27.531 13.486 10.883 67 HB1 ALA 52 3HB ALA 52 26.047 16.118 11.203 68 HB2 ALA 52 1HB ALA 52 25.317 14.502 11.145 69 HB3 ALA 52 2HB ALA 52 26.377 14.960 12.511 70 H LEU 53 H LEU 53 28.745 13.536 8.756 71 HA LEU 53 HA LEU 53 26.837 14.364 6.648 72 HB2 LEU 53 1HB LEU 53 28.696 16.088 6.979 73 HB3 LEU 53 2HB LEU 53 29.835 14.878 6.429 74 HG LEU 53 HG LEU 53 29.045 16.627 4.785 75 HD11 LEU 53 1HD1 LEU 53 29.029 15.270 2.852 76 HD12 LEU 53 2HD1 LEU 53 28.533 13.833 3.741 77 HD13 LEU 53 3HD1 LEU 53 30.142 14.544 4.021 78 HD21 LEU 53 3HD2 LEU 53 26.627 16.458 5.544 79 HD22 LEU 53 1HD2 LEU 53 26.488 14.978 4.575 80 HD23 LEU 53 2HD2 LEU 53 26.874 16.508 3.781 81 H ARG 54 H ARG 54 26.562 12.735 5.116 82 HA ARG 54 HA ARG 54 28.703 10.826 4.614 83 HB2 ARG 54 1HB ARG 54 27.511 10.095 6.755 84 HB3 ARG 54 2HB ARG 54 26.061 9.861 5.801 85 HG2 ARG 54 1HG ARG 54 26.948 7.717 5.951 86 HG3 ARG 54 2HG ARG 54 27.569 8.215 4.377 87 HD2 ARG 54 1HD ARG 54 29.726 8.885 5.507 88 HD3 ARG 54 2HD ARG 54 29.061 8.310 7.045 89 HE ARG 54 HE ARG 54 28.850 6.169 5.238 90 HH11 ARG 54 1HH1 ARG 54 31.332 7.895 7.107 91 HH12 ARG 54 2HH1 ARG 54 32.492 6.595 6.917 92 HH21 ARG 54 1HH2 ARG 54 30.455 4.524 5.031 93 HH22 ARG 54 2HH2 ARG 54 32.021 4.749 5.752 94 H ARG 55 H ARG 55 28.357 9.802 2.648 95 HA ARG 55 HA ARG 55 26.702 11.085 0.772 96 HB2 ARG 55 1HB ARG 55 28.835 9.920 0.284 97 HB3 ARG 55 2HB ARG 55 28.091 8.368 0.672 98 HG2 ARG 55 1HG ARG 55 28.333 8.601 -1.691 99 HG3 ARG 55 2HG ARG 55 26.638 8.523 -1.311 100 HD2 ARG 55 1HD ARG 55 28.152 11.138 -1.803 101 HD3 ARG 55 2HD ARG 55 27.365 10.192 -3.070 102 HE ARG 55 HE ARG 55 25.465 10.710 -1.024 103 HH11 ARG 55 1HH1 ARG 55 27.144 12.367 -3.723 104 HH12 ARG 55 2HH1 ARG 55 25.956 13.625 -3.818 105 HH21 ARG 55 1HH2 ARG 55 23.974 12.417 -1.159 106 HH22 ARG 55 2HH2 ARG 55 24.031 13.581 -2.440 107 H THR 56 H THR 56 25.766 8.593 3.014 108 HA THR 56 HA THR 56 23.811 7.365 1.313 109 HB THR 56 HB THR 56 24.820 6.359 3.390 110 HG1 THR 56 1HG THR 56 22.759 5.419 3.973 111 HG21 THR 56 3HG2 THR 56 23.798 6.864 5.571 112 HG22 THR 56 1HG2 THR 56 22.814 8.140 4.840 113 HG23 THR 56 2HG2 THR 56 24.573 8.312 4.923 114 H GLY 57 H GLY 57 21.423 7.466 2.078 115 HA2 GLY 57 1HA GLY 57 20.276 9.860 3.084 116 HA3 GLY 57 2HA GLY 57 20.313 9.961 1.320 117 H ARG 58 H ARG 58 19.873 7.309 0.555 118 HA ARG 58 HA ARG 58 18.081 5.994 -0.000 119 HB2 ARG 58 1HB ARG 58 18.247 5.682 3.019 120 HB3 ARG 58 2HB ARG 58 17.039 4.834 2.069 121 HG2 ARG 58 1HG ARG 58 18.540 3.234 2.074 122 HG3 ARG 58 2HG ARG 58 18.986 4.052 0.573 123 HD2 ARG 58 1HD ARG 58 20.458 5.159 2.832 124 HD3 ARG 58 2HD ARG 58 20.560 3.413 2.890 125 HE ARG 58 HE ARG 58 22.197 4.981 1.433 126 HH11 ARG 58 1HH1 ARG 58 20.012 2.268 0.491 127 HH12 ARG 58 2HH1 ARG 58 21.040 1.733 -0.754 128 HH21 ARG 58 1HH2 ARG 58 23.508 4.244 -0.300 129 HH22 ARG 58 2HH2 ARG 58 22.991 2.911 -1.292 130 H VAL 59 H VAL 59 17.335 8.350 -0.519 131 HA VAL 59 HA VAL 59 14.946 9.155 0.922 132 HB VAL 59 HB VAL 59 14.860 10.832 -1.057 133 HG11 VAL 59 1HG1 VAL 59 15.620 11.333 1.221 134 HG12 VAL 59 2HG1 VAL 59 17.254 10.769 0.821 135 HG13 VAL 59 3HG1 VAL 59 16.577 12.211 0.021 136 HG21 VAL 59 3HG2 VAL 59 16.895 11.163 -2.343 137 HG22 VAL 59 1HG2 VAL 59 17.735 9.878 -1.492 138 HG23 VAL 59 2HG2 VAL 59 16.380 9.488 -2.576 139 H ASN 60 H ASN 60 12.979 9.637 -0.360 140 HA ASN 60 HA ASN 60 11.860 7.184 -1.264 141 HB2 ASN 60 1HB ASN 60 10.682 9.938 -1.714 142 HB3 ASN 60 2HB ASN 60 9.808 8.407 -1.633 143 HD21 ASN 60 2HD2 ASN 60 10.989 7.212 0.690 144 HD22 ASN 60 1HD2 ASN 60 10.671 8.230 2.063 145 H GLY 61 H GLY 61 11.138 6.505 -3.240 146 HA2 GLY 61 1HA GLY 61 11.057 7.544 -5.702 147 HA3 GLY 61 2HA GLY 61 12.803 7.410 -5.503 148 H GLY 62 H GLY 62 11.443 4.798 -3.772 149 HA2 GLY 62 1HA GLY 62 10.470 2.852 -5.179 150 HA3 GLY 62 2HA GLY 62 12.025 2.965 -6.026 151 H HIS 63 H HIS 63 10.459 2.274 -2.930 152 HA HIS 63 HA HIS 63 13.006 1.327 -1.768 153 HB2 HIS 63 1HB HIS 63 10.225 1.832 -0.665 154 HB3 HIS 63 2HB HIS 63 11.557 1.141 0.268 155 HD1 HIS 63 HD1 HIS 63 13.918 2.882 0.135 156 HD2 HIS 63 HD2 HIS 63 9.997 4.402 -0.256 157 HE1 HIS 63 HE1 HIS 63 14.066 5.358 0.624 158 HA PRO 64 HA PRO 64 11.633 -2.775 -2.885 159 HB2 PRO 64 2HB PRO 64 13.141 -4.338 -1.228 160 HB3 PRO 64 3HB PRO 64 13.896 -3.349 -2.522 161 HG2 PRO 64 2HG PRO 64 13.578 -2.658 0.414 162 HG3 PRO 64 3HG PRO 64 15.063 -2.591 -0.591 163 HD2 PRO 64 2HD PRO 64 13.501 -0.401 -0.143 164 HD3 PRO 64 3HD PRO 64 14.301 -0.676 -1.728 165 H VAL 65 H VAL 65 10.126 -4.322 -2.166 166 HA VAL 65 HA VAL 65 9.223 -4.192 0.672 167 HB VAL 65 HB VAL 65 6.912 -4.075 -0.002 168 HG11 VAL 65 1HG1 VAL 65 6.844 -1.775 -0.929 169 HG12 VAL 65 2HG1 VAL 65 8.020 -1.927 0.398 170 HG13 VAL 65 3HG1 VAL 65 8.536 -1.840 -1.299 171 HG21 VAL 65 3HG2 VAL 65 6.957 -5.161 -2.212 172 HG22 VAL 65 1HG2 VAL 65 6.174 -3.578 -2.273 173 HG23 VAL 65 2HG2 VAL 65 7.828 -3.760 -2.890 174 H THR 66 H THR 66 7.720 -6.004 1.195 175 HA THR 66 HA THR 66 8.427 -8.527 -0.179 176 HB THR 66 HB THR 66 8.277 -9.452 2.255 177 HG1 THR 66 1HG THR 66 9.428 -6.966 2.935 178 HG21 THR 66 3HG2 THR 66 10.702 -9.164 2.642 179 HG22 THR 66 1HG2 THR 66 10.756 -7.955 1.339 180 HG23 THR 66 2HG2 THR 66 10.330 -9.648 0.982 181 H THR 67 H THR 67 6.699 -10.166 0.077 182 HA THR 67 HA THR 67 4.150 -9.187 -0.319 183 HB THR 67 HB THR 67 4.837 -11.908 0.847 184 HG1 THR 67 1HG THR 67 5.774 -12.376 -0.949 185 HG21 THR 67 3HG2 THR 67 2.684 -11.036 -1.144 186 HG22 THR 67 1HG2 THR 67 2.402 -11.521 0.543 187 HG23 THR 67 2HG2 THR 67 3.004 -12.708 -0.624 188 H GLN 68 H GLN 68 5.664 -10.108 2.776 189 HA GLN 68 HA GLN 68 3.412 -10.068 4.437 190 HB2 GLN 68 1HB GLN 68 4.979 -9.741 6.254 191 HB3 GLN 68 2HB GLN 68 5.603 -10.902 5.096 192 HG2 GLN 68 1HG GLN 68 6.678 -8.483 4.179 193 HG3 GLN 68 2HG GLN 68 6.624 -8.213 5.903 194 HE21 GLN 68 2HE2 GLN 68 7.387 -11.140 3.837 195 HE22 GLN 68 1HE2 GLN 68 8.976 -11.363 4.509 196 H MET 69 H MET 69 5.262 -7.241 3.106 197 HA MET 69 HA MET 69 4.068 -5.365 4.939 198 HB2 MET 69 1HB MET 69 5.348 -5.063 2.190 199 HB3 MET 69 2HB MET 69 4.843 -3.716 3.209 200 HG2 MET 69 1HG MET 69 6.458 -4.341 4.927 201 HG3 MET 69 2HG MET 69 6.907 -5.783 4.010 202 HE1 MET 69 3HE MET 69 7.248 -1.902 4.379 203 HE2 MET 69 1HE MET 69 8.022 -1.415 2.857 204 HE3 MET 69 2HE MET 69 6.331 -1.938 2.854 205 H VAL 70 H VAL 70 3.298 -6.660 1.703 206 HA VAL 70 HA VAL 70 1.131 -4.976 1.074 207 HB VAL 70 HB VAL 70 1.410 -7.863 0.158 208 HG11 VAL 70 1HG1 VAL 70 -0.698 -6.743 -0.415 209 HG12 VAL 70 2HG1 VAL 70 0.210 -5.429 -1.191 210 HG13 VAL 70 3HG1 VAL 70 0.281 -7.073 -1.848 211 HG21 VAL 70 3HG2 VAL 70 2.808 -5.428 -1.008 212 HG22 VAL 70 1HG2 VAL 70 3.595 -6.810 -0.221 213 HG23 VAL 70 2HG2 VAL 70 2.737 -7.047 -1.734 214 H GLU 71 H GLU 71 1.085 -8.308 2.434 215 HA GLU 71 HA GLU 71 -1.731 -8.265 2.898 216 HB2 GLU 71 1HB GLU 71 -1.310 -10.038 4.576 217 HB3 GLU 71 2HB GLU 71 -0.785 -10.401 2.917 218 HG2 GLU 71 1HG GLU 71 1.442 -10.314 3.441 219 HG3 GLU 71 2HG GLU 71 1.199 -9.282 4.844 220 H THR 72 H THR 72 0.957 -7.108 4.954 221 HA THR 72 HA THR 72 -0.623 -6.702 7.273 222 HB THR 72 HB THR 72 1.802 -5.101 6.367 223 HG1 THR 72 1HG THR 72 2.368 -7.191 6.728 224 HG21 THR 72 3HG2 THR 72 0.509 -3.874 8.096 225 HG22 THR 72 1HG2 THR 72 1.984 -4.568 8.814 226 HG23 THR 72 2HG2 THR 72 0.396 -5.331 9.053 227 H VAL 73 H VAL 73 0.183 -4.125 4.772 228 HA VAL 73 HA VAL 73 -1.718 -2.291 5.766 229 HB VAL 73 HB VAL 73 -0.998 -2.763 2.864 230 HG11 VAL 73 1HG1 VAL 73 -2.988 -1.293 3.065 231 HG12 VAL 73 2HG1 VAL 73 -2.088 -0.233 4.167 232 HG13 VAL 73 3HG1 VAL 73 -1.595 -0.410 2.469 233 HG21 VAL 73 3HG2 VAL 73 0.300 -0.923 4.890 234 HG22 VAL 73 1HG2 VAL 73 1.016 -2.347 4.093 235 HG23 VAL 73 2HG2 VAL 73 0.608 -0.909 3.146 236 H GLN 74 H GLN 74 -2.195 -4.967 3.385 237 HA GLN 74 HA GLN 74 -4.866 -4.393 2.724 238 HB2 GLN 74 1HB GLN 74 -3.422 -6.125 1.644 239 HB3 GLN 74 2HB GLN 74 -3.588 -7.137 3.073 240 HG2 GLN 74 1HG GLN 74 -5.088 -8.059 1.566 241 HG3 GLN 74 2HG GLN 74 -6.114 -7.157 2.668 242 HE21 GLN 74 2HE2 GLN 74 -6.744 -4.771 1.822 243 HE22 GLN 74 1HE2 GLN 74 -7.023 -4.733 0.101 244 H ASN 75 H ASN 75 -3.647 -6.413 5.402 245 HA ASN 75 HA ASN 75 -6.131 -7.235 6.440 246 HB2 ASN 75 1HB ASN 75 -3.423 -6.798 7.779 247 HB3 ASN 75 2HB ASN 75 -4.824 -7.393 8.653 248 HD21 ASN 75 2HD2 ASN 75 -2.096 -8.525 7.320 249 HD22 ASN 75 1HD2 ASN 75 -2.638 -10.187 7.196 250 H LEU 76 H LEU 76 -4.205 -4.286 7.013 251 HA LEU 76 HA LEU 76 -6.124 -3.344 9.049 252 HB2 LEU 76 1HB LEU 76 -3.792 -1.814 7.858 253 HB3 LEU 76 2HB LEU 76 -4.663 -1.478 9.335 254 HG LEU 76 HG LEU 76 -2.636 -3.647 8.827 255 HD11 LEU 76 1HD1 LEU 76 -1.502 -2.658 10.716 256 HD12 LEU 76 2HD1 LEU 76 -2.855 -1.533 10.990 257 HD13 LEU 76 3HD1 LEU 76 -1.871 -1.417 9.508 258 HD21 LEU 76 3HD2 LEU 76 -4.479 -3.535 11.237 259 HD22 LEU 76 1HD2 LEU 76 -2.998 -4.521 11.095 260 HD23 LEU 76 2HD2 LEU 76 -4.367 -4.851 10.038 261 H ALA 77 H ALA 77 -5.724 -2.968 5.592 262 HA ALA 77 HA ALA 77 -7.772 -0.816 5.519 263 HB1 ALA 77 3HB ALA 77 -5.538 0.068 4.958 264 HB2 ALA 77 1HB ALA 77 -5.383 -1.155 3.678 265 HB3 ALA 77 2HB ALA 77 -6.640 0.088 3.568 266 HA PRO 78 HA PRO 78 -9.224 -4.682 3.362 267 HB2 PRO 78 2HB PRO 78 -11.786 -4.720 4.319 268 HB3 PRO 78 3HB PRO 78 -10.388 -5.287 5.272 269 HG2 PRO 78 2HG PRO 78 -11.639 -2.531 5.327 270 HG3 PRO 78 3HG PRO 78 -11.345 -3.628 6.726 271 HD2 PRO 78 2HD PRO 78 -9.582 -1.703 6.136 272 HD3 PRO 78 3HD PRO 78 -8.996 -3.338 6.570 273 H ASN 79 H ASN 79 -9.681 -1.425 2.937 274 HA ASN 79 HA ASN 79 -11.676 -1.787 0.734 275 HB2 ASN 79 1HB ASN 79 -12.065 -0.139 2.823 276 HB3 ASN 79 2HB ASN 79 -11.161 0.965 1.788 277 HD21 ASN 79 2HD2 ASN 79 -11.982 0.672 -0.698 278 HD22 ASN 79 1HD2 ASN 79 -13.728 0.723 -0.887 279 H LEU 80 H LEU 80 -8.668 -2.204 0.771 280 HA LEU 80 HA LEU 80 -8.003 -0.428 -1.549 281 HB2 LEU 80 1HB LEU 80 -6.265 -1.452 0.735 282 HB3 LEU 80 2HB LEU 80 -5.595 -0.872 -0.763 283 HG LEU 80 HG LEU 80 -7.170 0.730 1.287 284 HD11 LEU 80 1HD1 LEU 80 -4.695 0.172 1.634 285 HD12 LEU 80 2HD1 LEU 80 -5.111 1.900 1.612 286 HD13 LEU 80 3HD1 LEU 80 -4.367 1.177 0.200 287 HD21 LEU 80 3HD2 LEU 80 -6.606 2.741 -0.186 288 HD22 LEU 80 1HD2 LEU 80 -7.879 1.697 -0.793 289 HD23 LEU 80 2HD2 LEU 80 -6.251 1.605 -1.500 290 H HIS 81 H HIS 81 -6.710 -1.424 -3.212 291 HA HIS 81 HA HIS 81 -7.240 -4.268 -3.519 292 HB2 HIS 81 1HB HIS 81 -7.465 -2.443 -5.297 293 HB3 HIS 81 2HB HIS 81 -5.717 -2.328 -5.284 294 HD2 HIS 81 HD2 HIS 81 -8.604 -4.534 -6.503 295 HE1 HIS 81 HE1 HIS 81 -5.010 -5.812 -8.433 296 HE2 HIS 81 HE2 HIS 81 -7.557 -6.003 -8.450 297 HA PRO 82 HA PRO 82 -3.195 -5.562 -2.060 298 HB2 PRO 82 2HB PRO 82 -2.648 -7.733 -3.610 299 HB3 PRO 82 3HB PRO 82 -3.816 -7.724 -2.251 300 HG2 PRO 82 2HG PRO 82 -4.376 -7.345 -5.201 301 HG3 PRO 82 3HG PRO 82 -5.210 -8.447 -4.064 302 HD2 PRO 82 2HD PRO 82 -6.217 -6.041 -4.730 303 HD3 PRO 82 3HD PRO 82 -6.353 -6.579 -3.041 304 H GLU 83 H GLU 83 -3.637 -5.083 -5.568 305 HA GLU 83 HA GLU 83 -0.810 -5.014 -5.978 306 HB2 GLU 83 1HB GLU 83 -3.170 -5.138 -7.568 307 HB3 GLU 83 2HB GLU 83 -2.394 -3.658 -8.079 308 HG2 GLU 83 1HG GLU 83 -1.505 -5.020 -9.558 309 HG3 GLU 83 2HG GLU 83 -0.334 -5.461 -8.290 310 H GLN 84 H GLN 84 -3.362 -2.515 -5.633 311 HA GLN 84 HA GLN 84 -1.725 -0.224 -6.102 312 HB2 GLN 84 1HB GLN 84 -4.025 -0.617 -4.179 313 HB3 GLN 84 2HB GLN 84 -3.315 0.951 -4.569 314 HG2 GLN 84 1HG GLN 84 -4.133 0.802 -6.848 315 HG3 GLN 84 2HG GLN 84 -4.761 -0.820 -6.544 316 HE21 GLN 84 2HE2 GLN 84 -5.105 2.649 -5.591 317 HE22 GLN 84 1HE2 GLN 84 -6.733 2.531 -5.076 318 H ILE 85 H ILE 85 -2.334 -2.204 -3.169 319 HA ILE 85 HA ILE 85 -0.965 -0.598 -1.307 320 HB ILE 85 HB ILE 85 -1.420 -3.595 -1.450 321 HG12 ILE 85 1HG1 ILE 85 -2.637 -1.612 0.513 322 HG13 ILE 85 2HG1 ILE 85 -3.339 -1.878 -1.077 323 HG21 ILE 85 1HG2 ILE 85 -0.212 -1.981 0.831 324 HG22 ILE 85 2HG2 ILE 85 -0.736 -3.682 0.933 325 HG23 ILE 85 3HG2 ILE 85 0.597 -3.242 -0.109 326 HD11 ILE 85 3HD1 ILE 85 -3.609 -4.220 -0.692 327 HD12 ILE 85 1HD1 ILE 85 -2.853 -4.113 0.900 328 HD13 ILE 85 2HD1 ILE 85 -4.420 -3.313 0.591 329 H ARG 86 H ARG 86 0.334 -3.505 -3.103 330 HA ARG 86 HA ARG 86 2.988 -3.206 -2.296 331 HB2 ARG 86 1HB ARG 86 2.495 -5.173 -3.355 332 HB3 ARG 86 2HB ARG 86 1.653 -4.413 -4.701 333 HG2 ARG 86 1HG ARG 86 4.630 -3.893 -4.396 334 HG3 ARG 86 2HG ARG 86 4.111 -5.459 -4.973 335 HD2 ARG 86 1HD ARG 86 3.143 -4.675 -6.916 336 HD3 ARG 86 2HD ARG 86 2.736 -3.117 -6.252 337 HE ARG 86 HE ARG 86 4.944 -2.336 -6.504 338 HH11 ARG 86 1HH1 ARG 86 4.550 -5.665 -7.869 339 HH12 ARG 86 2HH1 ARG 86 5.830 -5.418 -9.022 340 HH21 ARG 86 1HH2 ARG 86 6.923 -2.349 -7.717 341 HH22 ARG 86 2HH2 ARG 86 7.283 -3.676 -8.755 342 H TYR 87 H TYR 87 1.482 -1.474 -5.107 343 HA TYR 87 HA TYR 87 3.907 -0.178 -5.828 344 HB2 TYR 87 2HB TYR 87 1.787 -0.317 -7.169 345 HB3 TYR 87 3HB TYR 87 1.034 0.841 -6.113 346 HD1 TYR 87 2HD TYR 87 4.518 0.822 -7.683 347 HD2 TYR 87 1HD TYR 87 0.681 2.781 -7.316 348 HE1 TYR 87 2HE TYR 87 5.344 2.682 -9.059 349 HE2 TYR 87 1HE TYR 87 1.509 4.643 -8.712 350 HH TYR 87 HH TYR 87 3.298 5.569 -9.762 351 H SER 88 H SER 88 1.333 0.764 -3.614 352 HA SER 88 HA SER 88 2.366 3.374 -2.988 353 HB2 SER 88 1HB SER 88 0.596 1.629 -1.244 354 HB3 SER 88 2HB SER 88 0.777 3.400 -1.194 355 HG SER 88 HG SER 88 -0.348 1.765 -3.241 356 H LEU 89 H LEU 89 2.841 0.161 -1.469 357 HA LEU 89 HA LEU 89 4.438 0.999 0.713 358 HB2 LEU 89 1HB LEU 89 4.504 -1.570 -0.910 359 HB3 LEU 89 2HB LEU 89 5.376 -1.302 0.603 360 HG LEU 89 HG LEU 89 2.353 -1.101 0.425 361 HD11 LEU 89 1HD1 LEU 89 2.933 -3.335 -0.181 362 HD12 LEU 89 2HD1 LEU 89 2.462 -3.348 1.519 363 HD13 LEU 89 3HD1 LEU 89 4.186 -3.435 1.053 364 HD21 LEU 89 3HD2 LEU 89 4.375 -1.095 2.670 365 HD22 LEU 89 1HD2 LEU 89 2.686 -1.568 2.898 366 HD23 LEU 89 2HD2 LEU 89 3.077 0.043 2.285 367 H GLU 90 H GLU 90 5.303 0.280 -2.685 368 HA GLU 90 HA GLU 90 8.158 0.441 -2.213 369 HB2 GLU 90 1HB GLU 90 6.441 0.726 -4.714 370 HB3 GLU 90 2HB GLU 90 8.195 0.893 -4.729 371 HG2 GLU 90 1HG GLU 90 8.339 -1.430 -3.697 372 HG3 GLU 90 2HG GLU 90 6.611 -1.579 -3.967 373 H ASN 91 H ASN 91 5.651 2.799 -3.099 374 HA ASN 91 HA ASN 91 7.604 4.907 -3.631 375 HB2 ASN 91 1HB ASN 91 4.575 4.894 -3.408 376 HB3 ASN 91 2HB ASN 91 5.515 6.382 -3.570 377 HD21 ASN 91 2HD2 ASN 91 4.833 3.261 -5.226 378 HD22 ASN 91 1HD2 ASN 91 5.428 3.760 -6.778 379 H THR 92 H THR 92 5.254 4.340 -0.947 380 HA THR 92 HA THR 92 6.115 6.507 0.632 381 HB THR 92 HB THR 92 4.829 5.375 2.393 382 HG1 THR 92 1HG THR 92 4.297 3.321 0.562 383 HG21 THR 92 3HG2 THR 92 2.663 5.135 1.223 384 HG22 THR 92 1HG2 THR 92 3.490 5.244 -0.337 385 HG23 THR 92 2HG2 THR 92 3.505 6.630 0.782 386 H GLY 93 H GLY 93 6.903 3.063 0.652 387 HA2 GLY 93 1HA GLY 93 8.977 2.060 1.036 388 HA3 GLY 93 2HA GLY 93 9.492 3.424 2.026 389 H SER 94 H SER 94 6.541 3.112 3.364 390 HA SER 94 HA SER 94 7.164 0.750 5.032 391 HB2 SER 94 1HB SER 94 6.514 3.534 6.041 392 HB3 SER 94 2HB SER 94 6.889 2.079 6.989 393 HG SER 94 HG SER 94 8.566 3.796 5.580 394 H VAL 95 H VAL 95 5.525 -0.122 6.019 395 HA VAL 95 HA VAL 95 2.925 -0.205 4.781 396 HB VAL 95 HB VAL 95 3.992 -1.256 7.441 397 HG11 VAL 95 1HG1 VAL 95 1.518 -2.453 6.300 398 HG12 VAL 95 2HG1 VAL 95 2.161 -2.402 7.952 399 HG13 VAL 95 3HG1 VAL 95 1.379 -0.983 7.289 400 HG21 VAL 95 3HG2 VAL 95 3.473 -2.707 4.838 401 HG22 VAL 95 1HG2 VAL 95 5.073 -2.278 5.490 402 HG23 VAL 95 2HG2 VAL 95 4.053 -3.436 6.346 403 H GLU 96 H GLU 96 4.146 1.038 7.901 404 HA GLU 96 HA GLU 96 1.868 2.156 8.967 405 HB2 GLU 96 1HB GLU 96 3.397 3.328 10.389 406 HB3 GLU 96 2HB GLU 96 4.153 1.787 9.931 407 HG2 GLU 96 1HG GLU 96 5.315 3.148 8.056 408 HG3 GLU 96 2HG GLU 96 4.881 4.564 8.998 409 H GLU 97 H GLU 97 4.195 3.774 6.779 410 HA GLU 97 HA GLU 97 2.878 6.256 6.645 411 HB2 GLU 97 1HB GLU 97 5.245 5.747 6.008 412 HB3 GLU 97 2HB GLU 97 4.674 4.903 4.552 413 HG2 GLU 97 1HG GLU 97 3.771 6.940 3.633 414 HG3 GLU 97 2HG GLU 97 4.042 7.822 5.146 415 H THR 98 H THR 98 2.543 3.322 4.654 416 HA THR 98 HA THR 98 0.690 4.359 2.767 417 HB THR 98 HB THR 98 1.133 1.494 3.679 418 HG1 THR 98 1HG THR 98 3.056 2.484 2.893 419 HG21 THR 98 3HG2 THR 98 -0.890 1.761 2.241 420 HG22 THR 98 1HG2 THR 98 0.425 0.883 1.422 421 HG23 THR 98 2HG2 THR 98 0.128 2.591 1.036 422 H VAL 99 H VAL 99 0.277 2.832 5.912 423 HA VAL 99 HA VAL 99 -2.627 2.646 5.733 424 HB VAL 99 HB VAL 99 -0.652 2.352 8.027 425 HG11 VAL 99 1HG1 VAL 99 -2.504 1.355 9.346 426 HG12 VAL 99 2HG1 VAL 99 -2.758 3.079 9.043 427 HG13 VAL 99 3HG1 VAL 99 -3.664 1.873 8.100 428 HG21 VAL 99 3HG2 VAL 99 -1.145 -0.015 7.827 429 HG22 VAL 99 1HG2 VAL 99 -2.411 0.291 6.621 430 HG23 VAL 99 2HG2 VAL 99 -0.709 0.579 6.228 431 H GLU 100 H GLU 100 -0.317 4.969 7.164 432 HA GLU 100 HA GLU 100 -2.239 6.630 8.419 433 HB2 GLU 100 1HB GLU 100 0.675 6.860 7.696 434 HB3 GLU 100 2HB GLU 100 -0.178 8.255 8.377 435 HG2 GLU 100 1HG GLU 100 -0.896 7.007 10.319 436 HG3 GLU 100 2HG GLU 100 -0.378 5.469 9.634 437 H ARG 101 H ARG 101 -0.895 6.716 5.137 438 HA ARG 101 HA ARG 101 -2.347 9.179 4.516 439 HB2 ARG 101 1HB ARG 101 -1.614 8.784 2.217 440 HB3 ARG 101 2HB ARG 101 -0.266 8.651 3.343 441 HG2 ARG 101 1HG ARG 101 -0.710 6.124 3.335 442 HG3 ARG 101 2HG ARG 101 -1.778 6.411 1.994 443 HD2 ARG 101 1HD ARG 101 1.200 6.800 2.182 444 HD3 ARG 101 2HD ARG 101 0.327 5.667 1.141 445 HE ARG 101 HE ARG 101 0.560 8.584 0.878 446 HH11 ARG 101 1HH1 ARG 101 -0.798 5.599 -0.603 447 HH12 ARG 101 2HH1 ARG 101 -1.535 6.521 -1.889 448 HH21 ARG 101 1HH2 ARG 101 -0.476 9.649 -0.932 449 HH22 ARG 101 2HH2 ARG 101 -1.156 8.647 -2.200 450 H TYR 102 H TYR 102 -2.885 5.695 4.174 451 HA TYR 102 HA TYR 102 -5.217 5.750 2.546 452 HB2 TYR 102 2HB TYR 102 -4.424 3.665 2.807 453 HB3 TYR 102 3HB TYR 102 -4.085 3.821 4.521 454 HD1 TYR 102 1HD TYR 102 -6.958 3.687 2.117 455 HD2 TYR 102 2HD TYR 102 -5.540 2.953 6.120 456 HE1 TYR 102 1HE TYR 102 -9.072 2.471 2.644 457 HE2 TYR 102 2HE TYR 102 -7.642 1.846 6.696 458 HH TYR 102 HH TYR 102 -10.429 2.025 4.625 459 H LEU 103 H LEU 103 -5.096 5.630 6.138 460 HA LEU 103 HA LEU 103 -7.883 6.027 6.495 461 HB2 LEU 103 1HB LEU 103 -7.375 6.552 8.815 462 HB3 LEU 103 2HB LEU 103 -6.508 5.148 8.225 463 HG LEU 103 HG LEU 103 -4.529 6.806 7.829 464 HD11 LEU 103 1HD1 LEU 103 -5.641 8.951 8.366 465 HD12 LEU 103 2HD1 LEU 103 -4.386 8.603 9.534 466 HD13 LEU 103 3HD1 LEU 103 -6.083 8.328 9.969 467 HD21 LEU 103 3HD2 LEU 103 -4.481 4.944 9.393 468 HD22 LEU 103 1HD2 LEU 103 -5.306 5.928 10.624 469 HD23 LEU 103 2HD2 LEU 103 -3.683 6.364 10.096 470 H ARG 104 H ARG 104 -5.386 8.333 5.646 471 HA ARG 104 HA ARG 104 -6.999 10.634 6.401 472 HB2 ARG 104 1HB ARG 104 -5.138 11.777 6.249 473 HB3 ARG 104 2HB ARG 104 -4.337 10.253 6.149 474 HG2 ARG 104 1HG ARG 104 -3.300 11.262 4.448 475 HG3 ARG 104 2HG ARG 104 -4.652 10.664 3.497 476 HD2 ARG 104 1HD ARG 104 -5.473 12.736 3.094 477 HD3 ARG 104 2HD ARG 104 -5.156 13.280 4.745 478 HE ARG 104 HE ARG 104 -2.956 13.769 4.263 479 HH11 ARG 104 1HH1 ARG 104 -4.728 13.164 1.212 480 HH12 ARG 104 2HH1 ARG 104 -3.307 13.427 0.243 481 HH21 ARG 104 1HH2 ARG 104 -1.162 14.134 2.938 482 HH22 ARG 104 2HH2 ARG 104 -1.340 14.132 1.189 483 H GLY 105 H GLY 105 -7.074 8.466 3.744 484 HA2 GLY 105 1HA GLY 105 -8.636 8.528 2.018 485 HA3 GLY 105 2HA GLY 105 -8.981 10.222 2.371 486 H ASP 106 H ASP 106 -5.605 9.263 1.992 487 HA ASP 106 HA ASP 106 -5.210 11.163 -0.108 488 HB2 ASP 106 1HB ASP 106 -3.535 10.271 1.615 489 HB3 ASP 106 2HB ASP 106 -3.280 8.922 0.505 490 H GLU 107 H GLU 107 -3.968 10.384 -2.202 491 HA GLU 107 HA GLU 107 -5.689 8.608 -3.817 492 HB2 GLU 107 1HB GLU 107 -3.245 10.320 -4.352 493 HB3 GLU 107 2HB GLU 107 -3.910 9.217 -5.555 494 HG2 GLU 107 1HG GLU 107 -6.130 10.345 -5.378 495 HG3 GLU 107 2HG GLU 107 -5.434 11.509 -4.243 496 H PHE 108 H PHE 108 -5.219 6.723 -4.733 497 HA PHE 108 HA PHE 108 -2.687 5.363 -4.034 498 HB2 PHE 108 2HB PHE 108 -5.493 4.379 -3.454 499 HB3 PHE 108 3HB PHE 108 -4.161 3.279 -3.752 500 HD1 PHE 108 2HD PHE 108 -5.134 6.107 -1.514 501 HD2 PHE 108 1HD PHE 108 -2.619 2.685 -2.122 502 HE1 PHE 108 2HE PHE 108 -4.278 6.338 0.789 503 HE2 PHE 108 1HE PHE 108 -1.915 2.753 0.226 504 HZ PHE 108 HZ PHE 108 -2.725 4.575 1.705 505 H SER 109 H SER 109 -1.884 5.098 -5.874 506 HA SER 109 HA SER 109 -3.500 4.546 -8.276 507 HB2 SER 109 1HB SER 109 -0.491 4.890 -7.993 508 HB3 SER 109 2HB SER 109 -1.416 5.033 -9.496 509 HG SER 109 HG SER 109 -0.677 6.998 -8.162 510 H PHE 110 H PHE 110 -2.566 2.880 -9.816 511 HA PHE 110 HA PHE 110 -2.116 0.338 -8.362 512 HB2 PHE 110 2HB PHE 110 -3.138 1.119 -11.100 513 HB3 PHE 110 3HB PHE 110 -2.551 -0.507 -10.814 514 HD1 PHE 110 1HD PHE 110 -5.126 1.985 -9.710 515 HD2 PHE 110 2HD PHE 110 -3.815 -2.117 -9.545 516 HE1 PHE 110 1HE PHE 110 -7.271 1.320 -8.691 517 HE2 PHE 110 2HE PHE 110 -5.983 -2.760 -8.575 518 HZ PHE 110 HZ PHE 110 -7.725 -1.040 -8.104 519 HA PRO 111 HA PRO 111 2.113 0.116 -9.503 520 HB2 PRO 111 2HB PRO 111 2.462 -2.587 -10.210 521 HB3 PRO 111 3HB PRO 111 2.384 -1.962 -8.538 522 HG2 PRO 111 2HG PRO 111 0.260 -3.283 -10.191 523 HG3 PRO 111 3HG PRO 111 0.574 -3.405 -8.427 524 HD2 PRO 111 2HD PRO 111 -1.426 -1.869 -9.542 525 HD3 PRO 111 3HD PRO 111 -0.638 -1.459 -7.997 526 HA PRO 112 HA PRO 112 2.934 0.436 -13.787 527 HB2 PRO 112 2HB PRO 112 5.423 -0.773 -14.132 528 HB3 PRO 112 3HB PRO 112 5.181 0.835 -13.370 529 HG2 PRO 112 2HG PRO 112 5.505 -1.845 -12.018 530 HG3 PRO 112 3HG PRO 112 6.341 -0.299 -11.636 531 HD2 PRO 112 2HD PRO 112 4.200 -1.100 -10.219 532 HD3 PRO 112 3HD PRO 112 4.366 0.615 -10.682 533 H GLY 113 H GLY 113 2.504 -0.744 -15.664 534 HA2 GLY 113 1HA GLY 113 2.129 -2.602 -17.010 535 HA3 GLY 113 2HA GLY 113 2.782 -3.652 -15.754 536 H PHE 114 H PHE 114 0.365 -1.676 -14.307 537 HA PHE 114 HA PHE 114 -1.474 -3.966 -14.309 538 HB2 PHE 114 2HB PHE 114 -0.921 -2.730 -12.235 539 HB3 PHE 114 3HB PHE 114 -1.676 -1.281 -12.927 540 HD1 PHE 114 2HD PHE 114 -2.298 -4.729 -11.662 541 HD2 PHE 114 1HD PHE 114 -4.114 -1.091 -13.117 542 HE1 PHE 114 2HE PHE 114 -4.492 -5.458 -10.777 543 HE2 PHE 114 1HE PHE 114 -6.282 -1.831 -12.239 544 HZ PHE 114 HZ PHE 114 -6.495 -3.985 -11.032 545 H GLU 115 H GLU 115 -1.398 -0.582 -15.539 546 HA GLU 115 HA GLU 115 -4.126 -0.866 -16.523 547 HB2 GLU 115 1HB GLU 115 -2.168 1.432 -16.906 548 HB3 GLU 115 2HB GLU 115 -3.861 1.393 -17.423 549 HG2 GLU 115 1HG GLU 115 -4.434 0.901 -14.951 550 HG3 GLU 115 2HG GLU 115 -2.775 1.389 -14.587 Start of MODEL 10 1 H1 GLY 41 H GLY 41 53.670 -15.107 10.401 2 HA2 GLY 41 1HA GLY 41 54.315 -14.412 8.138 3 HA3 GLY 41 2HA GLY 41 52.877 -13.506 8.679 4 H ALA 42 H ALA 42 53.738 -11.834 7.020 5 HA ALA 42 HA ALA 42 56.215 -10.476 7.658 6 HB1 ALA 42 3HB ALA 42 55.258 -10.544 5.354 7 HB2 ALA 42 1HB ALA 42 53.833 -9.638 5.926 8 HB3 ALA 42 2HB ALA 42 55.437 -8.883 5.935 9 H MET 43 H MET 43 56.094 -8.015 8.079 10 HA MET 43 HA MET 43 53.919 -7.042 9.750 11 HB2 MET 43 1HB MET 43 56.799 -7.421 10.728 12 HB3 MET 43 2HB MET 43 55.633 -6.332 11.487 13 HG2 MET 43 1HG MET 43 54.107 -8.252 11.890 14 HG3 MET 43 2HG MET 43 55.349 -9.345 11.258 15 HE1 MET 43 3HE MET 43 53.847 -9.410 14.180 16 HE2 MET 43 1HE MET 43 54.946 -10.683 13.591 17 HE3 MET 43 2HE MET 43 55.210 -9.945 15.188 18 H GLY 44 H GLY 44 54.514 -4.623 10.213 19 HA2 GLY 44 1HA GLY 44 56.113 -2.835 9.485 20 HA3 GLY 44 2HA GLY 44 55.948 -3.473 7.848 21 HA PRO 45 HA PRO 45 52.415 -0.910 7.242 22 HB2 PRO 45 2HB PRO 45 50.592 -2.479 5.862 23 HB3 PRO 45 3HB PRO 45 52.062 -1.757 5.141 24 HG2 PRO 45 2HG PRO 45 51.698 -4.564 6.221 25 HG3 PRO 45 3HG PRO 45 52.452 -4.060 4.673 26 HD2 PRO 45 2HD PRO 45 53.952 -4.652 6.840 27 HD3 PRO 45 3HD PRO 45 54.406 -3.282 5.783 28 H GLN 46 H GLN 46 50.917 -0.234 8.667 29 HA GLN 46 HA GLN 46 48.943 -1.908 9.903 30 HB2 GLN 46 1HB GLN 46 49.687 -1.469 12.210 31 HB3 GLN 46 2HB GLN 46 50.915 -2.375 11.334 32 HG2 GLN 46 1HG GLN 46 52.018 -0.020 10.887 33 HG3 GLN 46 2HG GLN 46 50.959 0.540 12.182 34 HE21 GLN 46 2HE2 GLN 46 53.756 -1.443 11.341 35 HE22 GLN 46 1HE2 GLN 46 54.249 -1.729 13.023 36 H GLY 47 H GLY 47 47.569 -0.308 11.379 37 HA2 GLY 47 1HA GLY 47 47.670 2.316 11.693 38 HA3 GLY 47 2HA GLY 47 47.356 2.247 9.945 39 H SER 48 H SER 48 45.334 3.431 10.773 40 HA SER 48 HA SER 48 43.084 1.661 10.800 41 HB2 SER 48 1HB SER 48 43.736 3.379 13.243 42 HB3 SER 48 2HB SER 48 42.129 2.712 12.902 43 HG SER 48 HG SER 48 44.207 0.878 12.785 44 H THR 49 H THR 49 41.044 3.148 10.662 45 HA THR 49 HA THR 49 41.419 5.915 10.105 46 HB THR 49 HB THR 49 42.368 4.918 8.026 47 HG1 THR 49 1HG THR 49 41.099 6.151 6.644 48 HG21 THR 49 3HG2 THR 49 39.581 3.799 7.509 49 HG22 THR 49 1HG2 THR 49 41.027 2.833 7.875 50 HG23 THR 49 2HG2 THR 49 40.953 3.792 6.389 51 H GLN 50 H GLN 50 39.105 6.316 8.705 52 HA GLN 50 HA GLN 50 36.894 4.989 10.185 53 HB2 GLN 50 1HB GLN 50 37.238 7.997 9.766 54 HB3 GLN 50 2HB GLN 50 35.805 7.209 10.425 55 HG2 GLN 50 1HG GLN 50 37.247 6.328 12.314 56 HG3 GLN 50 2HG GLN 50 38.554 7.368 11.720 57 HE21 GLN 50 2HE2 GLN 50 36.876 7.500 14.366 58 HE22 GLN 50 1HE2 GLN 50 36.200 9.098 14.308 59 H ASN 51 H ASN 51 34.745 5.907 8.975 60 HA ASN 51 HA ASN 51 35.250 6.028 6.024 61 HB2 ASN 51 1HB ASN 51 33.251 4.198 7.431 62 HB3 ASN 51 2HB ASN 51 33.348 4.472 5.693 63 HD21 ASN 51 2HD2 ASN 51 34.491 2.522 8.235 64 HD22 ASN 51 1HD2 ASN 51 35.753 1.681 7.367 65 H ALA 52 H ALA 52 33.474 6.975 4.855 66 HA ALA 52 HA ALA 52 31.380 8.371 6.448 67 HB1 ALA 52 3HB ALA 52 33.127 9.650 4.317 68 HB2 ALA 52 1HB ALA 52 31.666 10.365 5.032 69 HB3 ALA 52 2HB ALA 52 33.071 10.058 6.057 70 H LEU 53 H LEU 53 29.867 6.938 5.837 71 HA LEU 53 HA LEU 53 29.077 6.872 3.009 72 HB2 LEU 53 1HB LEU 53 28.712 4.593 2.955 73 HB3 LEU 53 2HB LEU 53 30.358 4.756 3.524 74 HG LEU 53 HG LEU 53 27.961 4.191 5.355 75 HD11 LEU 53 1HD1 LEU 53 29.928 2.242 4.104 76 HD12 LEU 53 2HD1 LEU 53 28.213 2.427 3.663 77 HD13 LEU 53 3HD1 LEU 53 28.646 1.861 5.273 78 HD21 LEU 53 3HD2 LEU 53 29.862 5.039 6.639 79 HD22 LEU 53 1HD2 LEU 53 30.974 3.936 5.786 80 HD23 LEU 53 2HD2 LEU 53 29.740 3.302 6.887 81 H ARG 54 H ARG 54 26.788 6.346 2.817 82 HA ARG 54 HA ARG 54 24.613 6.852 3.292 83 HB2 ARG 54 1HB ARG 54 25.272 5.580 5.977 84 HB3 ARG 54 2HB ARG 54 23.663 5.823 5.331 85 HG2 ARG 54 1HG ARG 54 25.747 3.941 4.152 86 HG3 ARG 54 2HG ARG 54 24.371 3.527 5.164 87 HD2 ARG 54 1HD ARG 54 23.478 3.056 3.115 88 HD3 ARG 54 2HD ARG 54 22.932 4.729 3.311 89 HE ARG 54 HE ARG 54 25.513 4.287 1.947 90 HH11 ARG 54 1HH1 ARG 54 22.027 4.552 1.363 91 HH12 ARG 54 2HH1 ARG 54 22.200 4.990 -0.306 92 HH21 ARG 54 1HH2 ARG 54 25.778 4.737 -0.140 93 HH22 ARG 54 2HH2 ARG 54 24.455 4.978 -1.248 94 H ARG 55 H ARG 55 26.732 8.979 4.234 95 HA ARG 55 HA ARG 55 25.631 10.170 6.533 96 HB2 ARG 55 1HB ARG 55 27.893 10.630 5.468 97 HB3 ARG 55 2HB ARG 55 27.082 11.765 4.391 98 HG2 ARG 55 1HG ARG 55 26.889 11.864 7.436 99 HG3 ARG 55 2HG ARG 55 28.172 12.661 6.540 100 HD2 ARG 55 1HD ARG 55 26.655 14.173 5.465 101 HD3 ARG 55 2HD ARG 55 25.234 13.296 6.048 102 HE ARG 55 HE ARG 55 26.675 13.985 8.320 103 HH11 ARG 55 1HH1 ARG 55 25.102 15.771 5.656 104 HH12 ARG 55 2HH1 ARG 55 24.609 17.087 6.642 105 HH21 ARG 55 1HH2 ARG 55 25.885 15.651 9.675 106 HH22 ARG 55 2HH2 ARG 55 25.211 17.082 8.963 107 H THR 56 H THR 56 25.167 11.379 3.144 108 HA THR 56 HA THR 56 23.062 13.117 3.855 109 HB THR 56 HB THR 56 23.273 11.760 1.156 110 HG1 THR 56 1HG THR 56 24.988 13.895 1.690 111 HG21 THR 56 3HG2 THR 56 21.575 13.520 1.458 112 HG22 THR 56 1HG2 THR 56 22.808 14.032 0.321 113 HG23 THR 56 2HG2 THR 56 22.830 14.663 1.978 114 H GLY 57 H GLY 57 20.776 12.856 3.657 115 HA2 GLY 57 1HA GLY 57 19.653 10.424 4.469 116 HA3 GLY 57 2HA GLY 57 18.763 11.791 3.758 117 H ARG 58 H ARG 58 18.075 9.035 3.366 118 HA ARG 58 HA ARG 58 19.046 8.306 0.666 119 HB2 ARG 58 1HB ARG 58 16.967 6.999 2.495 120 HB3 ARG 58 2HB ARG 58 17.447 6.408 0.923 121 HG2 ARG 58 1HG ARG 58 18.662 5.055 2.332 122 HG3 ARG 58 2HG ARG 58 19.847 6.249 1.811 123 HD2 ARG 58 1HD ARG 58 20.074 5.808 4.200 124 HD3 ARG 58 2HD ARG 58 19.529 7.463 3.969 125 HE ARG 58 HE ARG 58 17.328 5.603 4.328 126 HH11 ARG 58 1HH1 ARG 58 19.835 7.299 6.184 127 HH12 ARG 58 2HH1 ARG 58 18.916 7.345 7.642 128 HH21 ARG 58 1HH2 ARG 58 16.062 5.799 6.161 129 HH22 ARG 58 2HH2 ARG 58 16.737 6.387 7.662 130 H VAL 59 H VAL 59 17.891 8.667 -1.193 131 HA VAL 59 HA VAL 59 15.695 10.520 -1.163 132 HB VAL 59 HB VAL 59 17.027 8.725 -3.231 133 HG11 VAL 59 1HG1 VAL 59 14.822 9.032 -4.109 134 HG12 VAL 59 2HG1 VAL 59 14.819 10.747 -3.672 135 HG13 VAL 59 3HG1 VAL 59 15.886 10.136 -4.977 136 HG21 VAL 59 3HG2 VAL 59 18.351 10.657 -2.332 137 HG22 VAL 59 1HG2 VAL 59 17.998 10.828 -4.045 138 HG23 VAL 59 2HG2 VAL 59 17.063 11.760 -2.837 139 H ASN 60 H ASN 60 13.433 10.025 -1.851 140 HA ASN 60 HA ASN 60 12.541 7.454 -0.682 141 HB2 ASN 60 1HB ASN 60 10.687 9.580 -1.747 142 HB3 ASN 60 2HB ASN 60 10.342 8.322 -0.571 143 HD21 ASN 60 2HD2 ASN 60 12.150 8.588 1.511 144 HD22 ASN 60 1HD2 ASN 60 12.269 10.282 1.970 145 H GLY 61 H GLY 61 10.727 6.338 -1.784 146 HA2 GLY 61 1HA GLY 61 9.575 5.479 -3.548 147 HA3 GLY 61 2HA GLY 61 10.420 6.550 -4.678 148 H GLY 62 H GLY 62 9.963 3.869 -5.242 149 HA2 GLY 62 1HA GLY 62 11.025 1.999 -6.029 150 HA3 GLY 62 2HA GLY 62 12.518 2.961 -6.032 151 H HIS 63 H HIS 63 10.514 2.151 -3.170 152 HA HIS 63 HA HIS 63 12.892 1.066 -1.859 153 HB2 HIS 63 1HB HIS 63 10.034 1.477 -0.915 154 HB3 HIS 63 2HB HIS 63 11.391 0.972 0.100 155 HD1 HIS 63 HD1 HIS 63 13.637 2.891 -0.282 156 HD2 HIS 63 HD2 HIS 63 9.621 4.069 -0.750 157 HE1 HIS 63 HE1 HIS 63 13.571 5.366 0.198 158 HA PRO 64 HA PRO 64 11.780 -3.158 -2.826 159 HB2 PRO 64 2HB PRO 64 13.167 -4.554 -0.965 160 HB3 PRO 64 3HB PRO 64 13.986 -3.564 -2.217 161 HG2 PRO 64 2HG PRO 64 13.420 -2.798 0.664 162 HG3 PRO 64 3HG PRO 64 14.952 -2.648 -0.243 163 HD2 PRO 64 2HD PRO 64 13.163 -0.578 0.043 164 HD3 PRO 64 3HD PRO 64 14.158 -0.801 -1.435 165 H VAL 65 H VAL 65 9.806 -4.117 -2.442 166 HA VAL 65 HA VAL 65 8.853 -4.210 0.390 167 HB VAL 65 HB VAL 65 6.583 -4.051 -0.362 168 HG11 VAL 65 1HG1 VAL 65 8.475 -1.808 -1.176 169 HG12 VAL 65 2HG1 VAL 65 6.747 -1.637 -1.007 170 HG13 VAL 65 3HG1 VAL 65 7.720 -2.125 0.401 171 HG21 VAL 65 3HG2 VAL 65 6.708 -4.872 -2.664 172 HG22 VAL 65 1HG2 VAL 65 5.988 -3.252 -2.574 173 HG23 VAL 65 2HG2 VAL 65 7.664 -3.455 -3.128 174 H THR 66 H THR 66 7.961 -5.870 1.208 175 HA THR 66 HA THR 66 8.220 -8.509 -0.164 176 HB THR 66 HB THR 66 8.259 -9.198 2.396 177 HG1 THR 66 1HG THR 66 9.411 -6.621 2.601 178 HG21 THR 66 3HG2 THR 66 10.632 -7.810 1.064 179 HG22 THR 66 1HG2 THR 66 10.166 -9.510 0.879 180 HG23 THR 66 2HG2 THR 66 10.717 -8.914 2.451 181 H THR 67 H THR 67 6.580 -10.187 0.494 182 HA THR 67 HA THR 67 3.987 -9.422 0.029 183 HB THR 67 HB THR 67 5.065 -11.806 1.596 184 HG1 THR 67 1HG THR 67 4.706 -11.403 -1.192 185 HG21 THR 67 3HG2 THR 67 2.605 -11.788 1.620 186 HG22 THR 67 1HG2 THR 67 3.170 -13.027 0.494 187 HG23 THR 67 2HG2 THR 67 2.565 -11.493 -0.132 188 H GLN 68 H GLN 68 5.646 -9.805 3.146 189 HA GLN 68 HA GLN 68 3.465 -9.638 4.895 190 HB2 GLN 68 1HB GLN 68 5.094 -9.030 6.594 191 HB3 GLN 68 2HB GLN 68 5.704 -10.310 5.559 192 HG2 GLN 68 1HG GLN 68 6.731 -8.156 4.225 193 HG3 GLN 68 2HG GLN 68 6.584 -7.440 5.824 194 HE21 GLN 68 2HE2 GLN 68 7.634 -10.611 4.353 195 HE22 GLN 68 1HE2 GLN 68 9.133 -10.668 5.208 196 H MET 69 H MET 69 5.155 -7.019 3.154 197 HA MET 69 HA MET 69 4.028 -4.962 4.846 198 HB2 MET 69 1HB MET 69 5.321 -4.854 2.085 199 HB3 MET 69 2HB MET 69 4.809 -3.444 3.015 200 HG2 MET 69 1HG MET 69 6.332 -4.089 4.856 201 HG3 MET 69 2HG MET 69 6.857 -5.489 3.930 202 HE1 MET 69 3HE MET 69 6.223 -1.732 2.563 203 HE2 MET 69 1HE MET 69 6.986 -1.478 4.152 204 HE3 MET 69 2HE MET 69 7.869 -1.106 2.665 205 H VAL 70 H VAL 70 3.255 -6.386 1.662 206 HA VAL 70 HA VAL 70 1.018 -4.791 1.084 207 HB VAL 70 HB VAL 70 1.347 -7.665 0.180 208 HG11 VAL 70 1HG1 VAL 70 0.170 -6.984 -1.780 209 HG12 VAL 70 2HG1 VAL 70 -0.780 -6.492 -0.380 210 HG13 VAL 70 3HG1 VAL 70 0.167 -5.280 -1.269 211 HG21 VAL 70 3HG2 VAL 70 2.703 -5.233 -1.023 212 HG22 VAL 70 1HG2 VAL 70 3.503 -6.618 -0.246 213 HG23 VAL 70 2HG2 VAL 70 2.624 -6.848 -1.750 214 H GLU 71 H GLU 71 1.131 -8.054 2.647 215 HA GLU 71 HA GLU 71 -1.684 -8.111 3.099 216 HB2 GLU 71 1HB GLU 71 -1.250 -9.834 4.824 217 HB3 GLU 71 2HB GLU 71 -0.606 -10.204 3.221 218 HG2 GLU 71 1HG GLU 71 1.460 -10.355 3.946 219 HG3 GLU 71 2HG GLU 71 1.399 -8.825 4.763 220 H THR 72 H THR 72 0.986 -6.865 5.188 221 HA THR 72 HA THR 72 -0.571 -6.396 7.465 222 HB THR 72 HB THR 72 1.692 -4.712 6.373 223 HG1 THR 72 1HG THR 72 2.384 -6.710 6.860 224 HG21 THR 72 3HG2 THR 72 0.396 -3.405 8.094 225 HG22 THR 72 1HG2 THR 72 1.991 -3.889 8.701 226 HG23 THR 72 2HG2 THR 72 0.531 -4.753 9.210 227 H VAL 73 H VAL 73 0.063 -3.954 4.827 228 HA VAL 73 HA VAL 73 -1.893 -2.122 5.704 229 HB VAL 73 HB VAL 73 -1.089 -2.802 2.858 230 HG11 VAL 73 1HG1 VAL 73 -1.883 -0.518 2.256 231 HG12 VAL 73 2HG1 VAL 73 -3.209 -1.525 2.813 232 HG13 VAL 73 3HG1 VAL 73 -2.515 -0.312 3.905 233 HG21 VAL 73 3HG2 VAL 73 0.809 -2.042 4.207 234 HG22 VAL 73 1HG2 VAL 73 0.359 -0.863 2.971 235 HG23 VAL 73 2HG2 VAL 73 -0.117 -0.564 4.646 236 H GLN 74 H GLN 74 -2.285 -4.834 3.349 237 HA GLN 74 HA GLN 74 -4.983 -4.356 2.799 238 HB2 GLN 74 1HB GLN 74 -3.532 -5.965 1.572 239 HB3 GLN 74 2HB GLN 74 -3.636 -7.072 2.937 240 HG2 GLN 74 1HG GLN 74 -5.165 -7.877 1.349 241 HG3 GLN 74 2HG GLN 74 -6.154 -7.147 2.594 242 HE21 GLN 74 2HE2 GLN 74 -6.810 -4.601 1.994 243 HE22 GLN 74 1HE2 GLN 74 -7.159 -4.421 0.293 244 H ASN 75 H ASN 75 -3.694 -6.323 5.456 245 HA ASN 75 HA ASN 75 -6.131 -7.392 6.459 246 HB2 ASN 75 1HB ASN 75 -3.601 -6.576 7.945 247 HB3 ASN 75 2HB ASN 75 -4.897 -7.500 8.653 248 HD21 ASN 75 2HD2 ASN 75 -1.858 -7.883 7.660 249 HD22 ASN 75 1HD2 ASN 75 -1.844 -9.541 7.278 250 H LEU 76 H LEU 76 -4.353 -4.331 7.120 251 HA LEU 76 HA LEU 76 -6.354 -3.454 9.087 252 HB2 LEU 76 1HB LEU 76 -4.089 -1.892 7.807 253 HB3 LEU 76 2HB LEU 76 -4.965 -1.459 9.274 254 HG LEU 76 HG LEU 76 -3.208 -3.924 8.959 255 HD11 LEU 76 1HD1 LEU 76 -2.558 -1.271 10.247 256 HD12 LEU 76 2HD1 LEU 76 -1.836 -1.994 8.795 257 HD13 LEU 76 3HD1 LEU 76 -1.564 -2.760 10.357 258 HD21 LEU 76 3HD2 LEU 76 -4.818 -4.388 10.635 259 HD22 LEU 76 1HD2 LEU 76 -4.502 -2.839 11.445 260 HD23 LEU 76 2HD2 LEU 76 -3.245 -4.125 11.378 261 H ALA 77 H ALA 77 -5.748 -2.966 5.687 262 HA ALA 77 HA ALA 77 -7.978 -1.037 5.439 263 HB1 ALA 77 3HB ALA 77 -5.713 -0.094 4.989 264 HB2 ALA 77 1HB ALA 77 -5.485 -1.297 3.713 265 HB3 ALA 77 2HB ALA 77 -6.766 -0.091 3.553 266 HA PRO 78 HA PRO 78 -9.038 -4.888 3.014 267 HB2 PRO 78 2HB PRO 78 -11.593 -5.263 3.912 268 HB3 PRO 78 3HB PRO 78 -10.154 -5.832 4.813 269 HG2 PRO 78 2HG PRO 78 -11.724 -3.268 5.246 270 HG3 PRO 78 3HG PRO 78 -11.215 -4.490 6.462 271 HD2 PRO 78 2HD PRO 78 -9.764 -2.189 6.017 272 HD3 PRO 78 3HD PRO 78 -8.980 -3.758 6.404 273 H ASN 79 H ASN 79 -9.897 -1.689 3.198 274 HA ASN 79 HA ASN 79 -11.950 -1.554 1.072 275 HB2 ASN 79 1HB ASN 79 -11.785 -0.297 3.436 276 HB3 ASN 79 2HB ASN 79 -10.775 0.808 2.517 277 HD21 ASN 79 2HD2 ASN 79 -11.891 1.172 0.175 278 HD22 ASN 79 1HD2 ASN 79 -13.544 1.730 0.268 279 H LEU 80 H LEU 80 -8.914 -2.299 0.693 280 HA LEU 80 HA LEU 80 -8.358 -0.376 -1.514 281 HB2 LEU 80 1HB LEU 80 -6.505 -1.379 0.692 282 HB3 LEU 80 2HB LEU 80 -5.890 -0.829 -0.839 283 HG LEU 80 HG LEU 80 -7.409 0.847 1.190 284 HD11 LEU 80 1HD1 LEU 80 -5.246 2.031 1.370 285 HD12 LEU 80 2HD1 LEU 80 -4.536 0.956 0.180 286 HD13 LEU 80 3HD1 LEU 80 -5.045 0.303 1.747 287 HD21 LEU 80 3HD2 LEU 80 -8.019 1.737 -0.980 288 HD22 LEU 80 1HD2 LEU 80 -6.338 1.675 -1.556 289 HD23 LEU 80 2HD2 LEU 80 -6.815 2.801 -0.272 290 H HIS 81 H HIS 81 -7.084 -1.287 -3.276 291 HA HIS 81 HA HIS 81 -7.589 -4.094 -3.703 292 HB2 HIS 81 1HB HIS 81 -7.624 -2.166 -5.439 293 HB3 HIS 81 2HB HIS 81 -5.878 -2.208 -5.342 294 HD2 HIS 81 HD2 HIS 81 -8.875 -4.233 -6.633 295 HE1 HIS 81 HE1 HIS 81 -5.363 -5.776 -8.475 296 HE2 HIS 81 HE2 HIS 81 -7.894 -5.721 -8.585 297 HA PRO 82 HA PRO 82 -3.635 -5.290 -2.013 298 HB2 PRO 82 2HB PRO 82 -3.131 -7.663 -3.331 299 HB3 PRO 82 3HB PRO 82 -4.272 -7.468 -1.971 300 HG2 PRO 82 2HG PRO 82 -4.858 -7.483 -4.930 301 HG3 PRO 82 3HG PRO 82 -5.767 -8.299 -3.615 302 HD2 PRO 82 2HD PRO 82 -6.533 -5.920 -4.747 303 HD3 PRO 82 3HD PRO 82 -6.844 -6.272 -3.036 304 H GLU 83 H GLU 83 -3.976 -5.041 -5.569 305 HA GLU 83 HA GLU 83 -1.133 -5.169 -5.940 306 HB2 GLU 83 1HB GLU 83 -3.373 -5.449 -7.558 307 HB3 GLU 83 2HB GLU 83 -2.787 -3.866 -8.066 308 HG2 GLU 83 1HG GLU 83 -1.829 -5.480 -9.509 309 HG3 GLU 83 2HG GLU 83 -0.519 -4.997 -8.425 310 H GLN 84 H GLN 84 -3.523 -2.518 -5.668 311 HA GLN 84 HA GLN 84 -1.790 -0.340 -6.307 312 HB2 GLN 84 1HB GLN 84 -4.024 -0.624 -4.307 313 HB3 GLN 84 2HB GLN 84 -3.265 0.929 -4.667 314 HG2 GLN 84 1HG GLN 84 -4.213 0.886 -6.905 315 HG3 GLN 84 2HG GLN 84 -4.911 -0.711 -6.610 316 HE21 GLN 84 2HE2 GLN 84 -4.998 2.717 -5.606 317 HE22 GLN 84 1HE2 GLN 84 -6.593 2.728 -4.994 318 H ILE 85 H ILE 85 -2.404 -2.071 -3.210 319 HA ILE 85 HA ILE 85 -0.991 -0.457 -1.449 320 HB ILE 85 HB ILE 85 -1.370 -3.464 -1.510 321 HG12 ILE 85 1HG1 ILE 85 -2.726 -1.376 0.263 322 HG13 ILE 85 2HG1 ILE 85 -3.390 -1.941 -1.248 323 HG21 ILE 85 1HG2 ILE 85 -0.291 -1.775 0.780 324 HG22 ILE 85 2HG2 ILE 85 -0.737 -3.501 0.861 325 HG23 ILE 85 3HG2 ILE 85 0.602 -3.000 -0.135 326 HD11 ILE 85 3HD1 ILE 85 -2.958 -3.558 1.245 327 HD12 ILE 85 1HD1 ILE 85 -4.450 -3.313 0.311 328 HD13 ILE 85 2HD1 ILE 85 -3.136 -4.331 -0.333 329 H ARG 86 H ARG 86 0.335 -3.349 -3.182 330 HA ARG 86 HA ARG 86 2.984 -3.131 -2.420 331 HB2 ARG 86 1HB ARG 86 2.542 -5.027 -3.552 332 HB3 ARG 86 2HB ARG 86 1.492 -4.261 -4.730 333 HG2 ARG 86 1HG ARG 86 4.458 -3.697 -4.879 334 HG3 ARG 86 2HG ARG 86 3.853 -5.258 -5.423 335 HD2 ARG 86 1HD ARG 86 2.545 -4.394 -7.127 336 HD3 ARG 86 2HD ARG 86 2.352 -2.836 -6.395 337 HE ARG 86 HE ARG 86 4.386 -2.097 -7.148 338 HH11 ARG 86 1HH1 ARG 86 3.705 -5.462 -8.278 339 HH12 ARG 86 2HH1 ARG 86 5.119 -5.518 -9.273 340 HH21 ARG 86 1HH2 ARG 86 6.124 -2.219 -8.764 341 HH22 ARG 86 2HH2 ARG 86 6.468 -3.720 -9.563 342 H TYR 87 H TYR 87 1.489 -1.282 -5.108 343 HA TYR 87 HA TYR 87 3.918 0.032 -5.872 344 HB2 TYR 87 2HB TYR 87 1.873 -0.090 -7.265 345 HB3 TYR 87 3HB TYR 87 1.008 0.917 -6.138 346 HD1 TYR 87 2HD TYR 87 4.284 1.028 -8.039 347 HD2 TYR 87 1HD TYR 87 0.853 3.188 -6.564 348 HE1 TYR 87 2HE TYR 87 5.080 3.042 -9.185 349 HE2 TYR 87 1HE TYR 87 1.708 5.251 -7.632 350 HH TYR 87 HH TYR 87 3.325 6.189 -8.922 351 H SER 88 H SER 88 1.263 1.009 -3.733 352 HA SER 88 HA SER 88 2.287 3.607 -3.106 353 HB2 SER 88 1HB SER 88 0.464 1.784 -1.497 354 HB3 SER 88 2HB SER 88 0.846 3.461 -1.057 355 HG SER 88 HG SER 88 -0.010 4.154 -3.036 356 H LEU 89 H LEU 89 2.722 0.470 -1.438 357 HA LEU 89 HA LEU 89 4.466 1.277 0.601 358 HB2 LEU 89 1HB LEU 89 4.497 -1.306 -0.977 359 HB3 LEU 89 2HB LEU 89 5.332 -1.011 0.554 360 HG LEU 89 HG LEU 89 2.305 -0.888 0.302 361 HD11 LEU 89 1HD1 LEU 89 2.928 -3.091 -0.311 362 HD12 LEU 89 2HD1 LEU 89 2.485 -3.154 1.396 363 HD13 LEU 89 3HD1 LEU 89 4.204 -3.175 0.896 364 HD21 LEU 89 3HD2 LEU 89 3.067 0.291 2.169 365 HD22 LEU 89 1HD2 LEU 89 4.207 -0.981 2.647 366 HD23 LEU 89 2HD2 LEU 89 2.458 -1.276 2.731 367 H GLU 90 H GLU 90 5.227 0.459 -2.805 368 HA GLU 90 HA GLU 90 8.103 0.534 -2.448 369 HB2 GLU 90 1HB GLU 90 6.248 0.725 -4.864 370 HB3 GLU 90 2HB GLU 90 7.950 1.074 -5.017 371 HG2 GLU 90 1HG GLU 90 8.178 -1.292 -3.739 372 HG3 GLU 90 2HG GLU 90 6.589 -1.543 -4.455 373 H ASN 91 H ASN 91 5.636 2.946 -3.042 374 HA ASN 91 HA ASN 91 7.541 5.053 -3.788 375 HB2 ASN 91 1HB ASN 91 4.565 5.052 -3.248 376 HB3 ASN 91 2HB ASN 91 5.486 6.541 -3.352 377 HD21 ASN 91 2HD2 ASN 91 4.668 3.560 -5.200 378 HD22 ASN 91 1HD2 ASN 91 4.927 4.307 -6.760 379 H THR 92 H THR 92 5.511 4.414 -0.805 380 HA THR 92 HA THR 92 6.519 6.616 0.669 381 HB THR 92 HB THR 92 5.195 5.286 2.392 382 HG1 THR 92 1HG THR 92 4.524 3.315 1.831 383 HG21 THR 92 3HG2 THR 92 3.681 5.460 -0.256 384 HG22 THR 92 1HG2 THR 92 3.750 6.716 1.006 385 HG23 THR 92 2HG2 THR 92 2.974 5.148 1.337 386 H GLY 93 H GLY 93 7.184 3.057 0.633 387 HA2 GLY 93 1HA GLY 93 9.162 1.989 1.114 388 HA3 GLY 93 2HA GLY 93 9.796 3.415 1.927 389 H SER 94 H SER 94 6.902 3.172 3.484 390 HA SER 94 HA SER 94 7.701 0.882 5.172 391 HB2 SER 94 1HB SER 94 8.742 3.197 5.935 392 HB3 SER 94 2HB SER 94 7.091 3.466 6.564 393 HG SER 94 HG SER 94 8.648 1.082 7.045 394 H VAL 95 H VAL 95 5.913 -0.279 5.715 395 HA VAL 95 HA VAL 95 3.371 0.212 4.865 396 HB VAL 95 HB VAL 95 4.100 -1.313 7.397 397 HG11 VAL 95 1HG1 VAL 95 1.522 -0.919 6.019 398 HG12 VAL 95 2HG1 VAL 95 1.905 -2.553 6.543 399 HG13 VAL 95 3HG1 VAL 95 1.861 -1.212 7.713 400 HG21 VAL 95 3HG2 VAL 95 4.109 -3.260 6.082 401 HG22 VAL 95 1HG2 VAL 95 3.627 -2.357 4.619 402 HG23 VAL 95 2HG2 VAL 95 5.238 -2.126 5.358 403 H GLU 96 H GLU 96 4.694 1.263 7.927 404 HA GLU 96 HA GLU 96 2.394 2.210 9.168 405 HB2 GLU 96 1HB GLU 96 3.824 3.348 10.637 406 HB3 GLU 96 2HB GLU 96 4.728 1.955 10.054 407 HG2 GLU 96 1HG GLU 96 6.101 3.297 8.628 408 HG3 GLU 96 2HG GLU 96 5.130 4.738 8.920 409 H GLU 97 H GLU 97 4.344 3.959 6.747 410 HA GLU 97 HA GLU 97 2.760 6.349 6.837 411 HB2 GLU 97 1HB GLU 97 5.062 6.252 5.922 412 HB3 GLU 97 2HB GLU 97 4.535 5.208 4.609 413 HG2 GLU 97 1HG GLU 97 4.761 7.456 3.789 414 HG3 GLU 97 2HG GLU 97 3.078 6.951 3.717 415 H THR 98 H THR 98 2.599 3.407 4.833 416 HA THR 98 HA THR 98 0.515 4.291 3.097 417 HB THR 98 HB THR 98 1.175 1.439 3.823 418 HG1 THR 98 1HG THR 98 2.711 2.641 2.532 419 HG21 THR 98 3HG2 THR 98 -1.131 1.576 2.868 420 HG22 THR 98 1HG2 THR 98 0.018 0.934 1.658 421 HG23 THR 98 2HG2 THR 98 -0.477 2.635 1.587 422 H VAL 99 H VAL 99 0.365 2.769 6.273 423 HA VAL 99 HA VAL 99 -2.521 2.485 6.165 424 HB VAL 99 HB VAL 99 -0.559 2.409 8.505 425 HG11 VAL 99 1HG1 VAL 99 -2.336 1.181 9.694 426 HG12 VAL 99 2HG1 VAL 99 -2.876 2.809 9.258 427 HG13 VAL 99 3HG1 VAL 99 -3.434 1.413 8.308 428 HG21 VAL 99 3HG2 VAL 99 -0.207 0.604 6.755 429 HG22 VAL 99 1HG2 VAL 99 -0.715 -0.017 8.319 430 HG23 VAL 99 2HG2 VAL 99 -1.890 0.100 6.987 431 H GLU 100 H GLU 100 -0.294 5.022 7.399 432 HA GLU 100 HA GLU 100 -2.324 6.638 8.604 433 HB2 GLU 100 1HB GLU 100 0.505 7.078 7.599 434 HB3 GLU 100 2HB GLU 100 -0.449 8.463 8.088 435 HG2 GLU 100 1HG GLU 100 0.070 6.042 9.861 436 HG3 GLU 100 2HG GLU 100 1.012 7.544 9.877 437 H ARG 101 H ARG 101 -0.976 6.593 5.283 438 HA ARG 101 HA ARG 101 -2.528 8.931 4.514 439 HB2 ARG 101 1HB ARG 101 -1.616 8.491 2.306 440 HB3 ARG 101 2HB ARG 101 -0.353 8.419 3.536 441 HG2 ARG 101 1HG ARG 101 -0.741 5.900 3.533 442 HG3 ARG 101 2HG ARG 101 -1.710 6.111 2.127 443 HD2 ARG 101 1HD ARG 101 1.240 6.644 2.490 444 HD3 ARG 101 2HD ARG 101 0.520 5.448 1.404 445 HE ARG 101 HE ARG 101 0.698 8.336 1.215 446 HH11 ARG 101 1HH1 ARG 101 -1.113 5.577 -0.139 447 HH12 ARG 101 2HH1 ARG 101 -1.632 6.483 -1.516 448 HH21 ARG 101 1HH2 ARG 101 0.144 9.412 -0.813 449 HH22 ARG 101 2HH2 ARG 101 -0.921 8.632 -1.916 450 H TYR 102 H TYR 102 -2.914 5.447 4.339 451 HA TYR 102 HA TYR 102 -5.208 5.301 2.624 452 HB2 TYR 102 2HB TYR 102 -4.393 3.249 3.094 453 HB3 TYR 102 3HB TYR 102 -4.095 3.563 4.800 454 HD1 TYR 102 1HD TYR 102 -6.997 3.255 2.427 455 HD2 TYR 102 2HD TYR 102 -5.470 2.677 6.404 456 HE1 TYR 102 1HE TYR 102 -9.104 2.121 3.053 457 HE2 TYR 102 2HE TYR 102 -7.560 1.507 7.051 458 HH TYR 102 HH TYR 102 -9.690 0.750 6.327 459 H LEU 103 H LEU 103 -5.176 5.369 6.228 460 HA LEU 103 HA LEU 103 -7.957 5.700 6.452 461 HB2 LEU 103 1HB LEU 103 -7.575 6.344 8.772 462 HB3 LEU 103 2HB LEU 103 -6.658 4.929 8.283 463 HG LEU 103 HG LEU 103 -4.673 6.579 7.937 464 HD11 LEU 103 1HD1 LEU 103 -6.410 8.243 9.803 465 HD12 LEU 103 2HD1 LEU 103 -5.789 8.752 8.223 466 HD13 LEU 103 3HD1 LEU 103 -4.659 8.495 9.519 467 HD21 LEU 103 3HD2 LEU 103 -4.634 4.886 9.608 468 HD22 LEU 103 1HD2 LEU 103 -5.732 5.811 10.675 469 HD23 LEU 103 2HD2 LEU 103 -4.076 6.375 10.357 470 H ARG 104 H ARG 104 -5.627 8.078 5.544 471 HA ARG 104 HA ARG 104 -7.497 10.285 6.155 472 HB2 ARG 104 1HB ARG 104 -5.750 11.671 6.152 473 HB3 ARG 104 2HB ARG 104 -4.860 10.209 6.441 474 HG2 ARG 104 1HG ARG 104 -3.550 10.950 4.753 475 HG3 ARG 104 2HG ARG 104 -4.750 10.218 3.720 476 HD2 ARG 104 1HD ARG 104 -5.250 12.140 2.785 477 HD3 ARG 104 2HD ARG 104 -5.702 12.837 4.357 478 HE ARG 104 HE ARG 104 -2.934 12.842 4.306 479 HH11 ARG 104 1HH1 ARG 104 -5.577 14.381 2.537 480 HH12 ARG 104 2HH1 ARG 104 -4.661 15.704 1.936 481 HH21 ARG 104 1HH2 ARG 104 -1.653 14.397 3.488 482 HH22 ARG 104 2HH2 ARG 104 -2.282 15.918 2.918 483 H GLY 105 H GLY 105 -7.192 8.025 3.659 484 HA2 GLY 105 1HA GLY 105 -8.324 7.912 1.688 485 HA3 GLY 105 2HA GLY 105 -9.012 9.513 1.994 486 H ASP 106 H ASP 106 -5.533 8.699 1.813 487 HA ASP 106 HA ASP 106 -4.998 10.873 -0.004 488 HB2 ASP 106 1HB ASP 106 -3.560 9.610 1.816 489 HB3 ASP 106 2HB ASP 106 -3.072 8.608 0.460 490 H GLU 107 H GLU 107 -3.363 10.127 -1.989 491 HA GLU 107 HA GLU 107 -5.069 8.643 -3.884 492 HB2 GLU 107 1HB GLU 107 -2.699 10.474 -4.028 493 HB3 GLU 107 2HB GLU 107 -2.849 9.257 -5.296 494 HG2 GLU 107 1HG GLU 107 -5.149 11.083 -4.532 495 HG3 GLU 107 2HG GLU 107 -3.955 11.485 -5.762 496 H PHE 108 H PHE 108 -4.816 6.663 -4.548 497 HA PHE 108 HA PHE 108 -2.313 5.151 -3.974 498 HB2 PHE 108 2HB PHE 108 -5.186 4.370 -3.392 499 HB3 PHE 108 3HB PHE 108 -3.917 3.188 -3.667 500 HD1 PHE 108 2HD PHE 108 -4.766 6.083 -1.398 501 HD2 PHE 108 1HD PHE 108 -2.642 2.375 -1.921 502 HE1 PHE 108 2HE PHE 108 -4.099 6.151 0.954 503 HE2 PHE 108 1HE PHE 108 -2.174 2.309 0.453 504 HZ PHE 108 HZ PHE 108 -2.769 4.259 1.938 505 H SER 109 H SER 109 -1.546 4.866 -5.936 506 HA SER 109 HA SER 109 -3.341 4.489 -8.283 507 HB2 SER 109 1HB SER 109 -0.305 4.678 -8.212 508 HB3 SER 109 2HB SER 109 -1.333 4.785 -9.631 509 HG SER 109 HG SER 109 -0.761 6.788 -9.151 510 H PHE 110 H PHE 110 -2.563 2.846 -9.899 511 HA PHE 110 HA PHE 110 -2.040 0.271 -8.546 512 HB2 PHE 110 2HB PHE 110 -3.062 1.121 -11.269 513 HB3 PHE 110 3HB PHE 110 -2.524 -0.518 -10.982 514 HD1 PHE 110 1HD PHE 110 -4.975 2.087 -9.724 515 HD2 PHE 110 2HD PHE 110 -3.893 -2.089 -9.818 516 HE1 PHE 110 1HE PHE 110 -7.169 1.497 -8.771 517 HE2 PHE 110 2HE PHE 110 -6.105 -2.666 -8.855 518 HZ PHE 110 HZ PHE 110 -7.743 -0.874 -8.333 519 HA PRO 111 HA PRO 111 2.179 0.311 -9.796 520 HB2 PRO 111 2HB PRO 111 2.716 -2.375 -10.337 521 HB3 PRO 111 3HB PRO 111 2.500 -1.660 -8.717 522 HG2 PRO 111 2HG PRO 111 0.520 -3.191 -10.389 523 HG3 PRO 111 3HG PRO 111 0.846 -3.303 -8.627 524 HD2 PRO 111 2HD PRO 111 -1.252 -1.879 -9.706 525 HD3 PRO 111 3HD PRO 111 -0.463 -1.414 -8.174 526 HA PRO 112 HA PRO 112 2.801 0.551 -14.139 527 HB2 PRO 112 2HB PRO 112 5.286 -0.608 -14.610 528 HB3 PRO 112 3HB PRO 112 5.056 1.011 -13.906 529 HG2 PRO 112 2HG PRO 112 5.530 -1.616 -12.463 530 HG3 PRO 112 3HG PRO 112 6.306 -0.033 -12.153 531 HD2 PRO 112 2HD PRO 112 4.295 -0.889 -10.623 532 HD3 PRO 112 3HD PRO 112 4.373 0.823 -11.107 533 H GLY 113 H GLY 113 2.509 -0.679 -16.048 534 HA2 GLY 113 1HA GLY 113 2.125 -2.553 -17.352 535 HA3 GLY 113 2HA GLY 113 2.794 -3.580 -16.079 536 H PHE 114 H PHE 114 0.524 -1.983 -14.283 537 HA PHE 114 HA PHE 114 -1.364 -4.147 -14.446 538 HB2 PHE 114 2HB PHE 114 -0.776 -2.801 -12.400 539 HB3 PHE 114 3HB PHE 114 -1.583 -1.406 -13.120 540 HD1 PHE 114 1HD PHE 114 -3.986 -1.378 -13.472 541 HD2 PHE 114 2HD PHE 114 -2.040 -4.646 -11.493 542 HE1 PHE 114 1HE PHE 114 -6.196 -2.141 -12.567 543 HE2 PHE 114 2HE PHE 114 -4.245 -5.468 -10.632 544 HZ PHE 114 HZ PHE 114 -6.315 -4.208 -11.177 545 H GLU 115 H GLU 115 -0.925 -1.167 -16.011 546 HA GLU 115 HA GLU 115 -3.452 -1.162 -17.548 547 HB2 GLU 115 1HB GLU 115 -1.626 1.117 -16.628 548 HB3 GLU 115 2HB GLU 115 -2.967 1.316 -17.754 549 HG2 GLU 115 1HG GLU 115 -3.337 0.360 -14.897 550 HG3 GLU 115 2HG GLU 115 -3.330 2.051 -15.369 Start of MODEL 11 1 H1 GLY 41 H GLY 41 47.427 27.159 3.628 2 HA2 GLY 41 1HA GLY 41 47.075 25.078 4.912 3 HA3 GLY 41 2HA GLY 41 46.565 26.515 5.841 4 H ALA 42 H ALA 42 45.329 24.207 6.663 5 HA ALA 42 HA ALA 42 42.994 23.504 5.162 6 HB1 ALA 42 3HB ALA 42 42.347 22.383 7.274 7 HB2 ALA 42 1HB ALA 42 44.022 21.995 6.838 8 HB3 ALA 42 2HB ALA 42 43.680 23.178 8.125 9 H MET 43 H MET 43 41.161 24.746 4.916 10 HA MET 43 HA MET 43 39.968 26.241 7.007 11 HB2 MET 43 1HB MET 43 41.772 27.864 6.282 12 HB3 MET 43 2HB MET 43 41.174 27.764 4.631 13 HG2 MET 43 1HG MET 43 40.425 29.794 5.862 14 HG3 MET 43 2HG MET 43 39.104 28.826 5.232 15 HE1 MET 43 3HE MET 43 41.205 28.067 8.582 16 HE2 MET 43 1HE MET 43 41.141 29.844 8.452 17 HE3 MET 43 2HE MET 43 40.245 29.010 9.740 18 H GLY 44 H GLY 44 37.722 26.805 6.212 19 HA2 GLY 44 1HA GLY 44 36.766 26.747 3.663 20 HA3 GLY 44 2HA GLY 44 36.817 25.032 4.139 21 HA PRO 45 HA PRO 45 33.004 27.131 5.954 22 HB2 PRO 45 2HB PRO 45 31.015 26.052 4.435 23 HB3 PRO 45 3HB PRO 45 31.974 27.452 3.869 24 HG2 PRO 45 2HG PRO 45 32.404 24.521 3.208 25 HG3 PRO 45 3HG PRO 45 32.301 25.898 2.065 26 HD2 PRO 45 2HD PRO 45 34.687 24.896 2.973 27 HD3 PRO 45 3HD PRO 45 34.463 26.642 2.648 28 H GLN 46 H GLN 46 31.254 26.040 7.100 29 HA GLN 46 HA GLN 46 31.727 23.173 7.719 30 HB2 GLN 46 1HB GLN 46 31.596 23.629 9.999 31 HB3 GLN 46 2HB GLN 46 32.611 24.919 9.365 32 HG2 GLN 46 1HG GLN 46 29.805 25.053 10.455 33 HG3 GLN 46 2HG GLN 46 31.216 25.934 10.964 34 HE21 GLN 46 2HE2 GLN 46 28.315 26.598 9.851 35 HE22 GLN 46 1HE2 GLN 46 28.683 27.921 8.754 36 H GLY 47 H GLY 47 29.532 22.662 9.353 37 HA2 GLY 47 1HA GLY 47 27.068 23.703 8.674 38 HA3 GLY 47 2HA GLY 47 27.424 22.457 7.459 39 H SER 48 H SER 48 25.337 21.810 8.771 40 HA SER 48 HA SER 48 25.454 20.532 11.297 41 HB2 SER 48 1HB SER 48 23.540 20.096 8.982 42 HB3 SER 48 2HB SER 48 23.214 19.829 10.705 43 HG SER 48 HG SER 48 22.632 21.943 9.449 44 H THR 49 H THR 49 27.442 19.558 9.183 45 HA THR 49 HA THR 49 28.223 17.171 9.800 46 HB THR 49 HB THR 49 26.069 16.075 9.256 47 HG1 THR 49 1HG THR 49 27.452 14.624 8.879 48 HG21 THR 49 3HG2 THR 49 26.516 17.000 6.386 49 HG22 THR 49 1HG2 THR 49 25.232 17.595 7.461 50 HG23 THR 49 2HG2 THR 49 25.246 15.896 6.959 51 H GLN 50 H GLN 50 29.532 16.231 7.812 52 HA GLN 50 HA GLN 50 30.497 18.508 6.139 53 HB2 GLN 50 1HB GLN 50 32.146 17.850 7.825 54 HB3 GLN 50 2HB GLN 50 31.997 16.148 7.379 55 HG2 GLN 50 1HG GLN 50 34.075 17.288 6.551 56 HG3 GLN 50 2HG GLN 50 33.130 16.487 5.306 57 HE21 GLN 50 2HE2 GLN 50 33.860 17.793 3.492 58 HE22 GLN 50 1HE2 GLN 50 33.391 19.487 3.422 59 H ASN 51 H ASN 51 31.164 17.805 3.920 60 HA ASN 51 HA ASN 51 29.190 16.086 2.818 61 HB2 ASN 51 1HB ASN 51 30.370 17.921 1.587 62 HB3 ASN 51 2HB ASN 51 31.777 16.855 1.461 63 HD21 ASN 51 2HD2 ASN 51 31.343 17.143 -0.977 64 HD22 ASN 51 1HD2 ASN 51 30.139 16.053 -1.675 65 H ALA 52 H ALA 52 29.597 14.038 1.618 66 HA ALA 52 HA ALA 52 31.654 12.294 2.898 67 HB1 ALA 52 3HB ALA 52 29.392 11.932 3.914 68 HB2 ALA 52 1HB ALA 52 28.736 11.612 2.293 69 HB3 ALA 52 2HB ALA 52 29.934 10.516 2.989 70 H LEU 53 H LEU 53 31.677 10.162 1.731 71 HA LEU 53 HA LEU 53 32.530 10.575 -0.957 72 HB2 LEU 53 1HB LEU 53 33.253 8.887 0.800 73 HB3 LEU 53 2HB LEU 53 31.795 7.959 0.422 74 HG LEU 53 HG LEU 53 33.794 8.689 -1.757 75 HD11 LEU 53 1HD1 LEU 53 35.083 7.728 0.094 76 HD12 LEU 53 2HD1 LEU 53 34.982 6.566 -1.241 77 HD13 LEU 53 3HD1 LEU 53 33.963 6.359 0.204 78 HD21 LEU 53 3HD2 LEU 53 31.719 7.588 -2.523 79 HD22 LEU 53 1HD2 LEU 53 31.908 6.325 -1.298 80 HD23 LEU 53 2HD2 LEU 53 33.053 6.467 -2.658 81 H ARG 54 H ARG 54 31.518 10.045 -2.867 82 HA ARG 54 HA ARG 54 28.899 10.589 -3.317 83 HB2 ARG 54 1HB ARG 54 30.919 10.222 -4.902 84 HB3 ARG 54 2HB ARG 54 30.421 8.525 -4.953 85 HG2 ARG 54 1HG ARG 54 28.185 9.242 -5.839 86 HG3 ARG 54 2HG ARG 54 28.654 10.931 -5.643 87 HD2 ARG 54 1HD ARG 54 28.901 10.422 -7.969 88 HD3 ARG 54 2HD ARG 54 30.518 10.573 -7.287 89 HE ARG 54 HE ARG 54 30.930 8.372 -7.643 90 HH11 ARG 54 1HH1 ARG 54 27.444 8.902 -8.194 91 HH12 ARG 54 2HH1 ARG 54 27.092 7.204 -8.389 92 HH21 ARG 54 1HH2 ARG 54 30.499 6.298 -8.476 93 HH22 ARG 54 2HH2 ARG 54 28.903 5.730 -8.768 94 H ARG 55 H ARG 55 26.977 9.412 -3.763 95 HA ARG 55 HA ARG 55 25.349 7.941 -3.296 96 HB2 ARG 55 1HB ARG 55 26.717 6.507 -4.909 97 HB3 ARG 55 2HB ARG 55 27.315 5.642 -3.485 98 HG2 ARG 55 1HG ARG 55 24.851 5.236 -2.857 99 HG3 ARG 55 2HG ARG 55 24.421 5.948 -4.410 100 HD2 ARG 55 1HD ARG 55 25.704 4.157 -5.564 101 HD3 ARG 55 2HD ARG 55 26.140 3.467 -3.997 102 HE ARG 55 HE ARG 55 23.275 3.765 -4.309 103 HH11 ARG 55 1HH1 ARG 55 26.005 1.539 -4.843 104 HH12 ARG 55 2HH1 ARG 55 24.985 0.213 -5.282 105 HH21 ARG 55 1HH2 ARG 55 21.950 1.954 -4.869 106 HH22 ARG 55 2HH2 ARG 55 22.693 0.421 -5.248 107 H THR 56 H THR 56 26.286 9.290 -1.203 108 HA THR 56 HA THR 56 27.217 7.899 1.028 109 HB THR 56 HB THR 56 27.306 10.291 0.853 110 HG1 THR 56 1HG THR 56 27.149 9.611 2.959 111 HG21 THR 56 3HG2 THR 56 25.335 11.758 1.061 112 HG22 THR 56 1HG2 THR 56 24.263 10.352 0.950 113 HG23 THR 56 2HG2 THR 56 25.280 10.819 -0.434 114 H GLY 57 H GLY 57 23.880 8.032 -0.278 115 HA2 GLY 57 1HA GLY 57 23.109 5.765 1.288 116 HA3 GLY 57 2HA GLY 57 22.447 7.255 1.984 117 H ARG 58 H ARG 58 20.459 5.924 1.391 118 HA ARG 58 HA ARG 58 19.645 5.852 -1.429 119 HB2 ARG 58 1HB ARG 58 17.987 5.425 1.095 120 HB3 ARG 58 2HB ARG 58 17.510 4.981 -0.520 121 HG2 ARG 58 1HG ARG 58 19.702 3.711 1.132 122 HG3 ARG 58 2HG ARG 58 18.157 2.997 0.686 123 HD2 ARG 58 1HD ARG 58 20.330 3.762 -1.318 124 HD3 ARG 58 2HD ARG 58 20.163 2.180 -0.576 125 HE ARG 58 HE ARG 58 17.944 3.381 -2.205 126 HH11 ARG 58 1HH1 ARG 58 20.127 0.615 -1.556 127 HH12 ARG 58 2HH1 ARG 58 19.517 -0.316 -2.870 128 HH21 ARG 58 1HH2 ARG 58 17.106 2.014 -3.915 129 HH22 ARG 58 2HH2 ARG 58 17.820 0.490 -4.224 130 H VAL 59 H VAL 59 17.307 6.676 -1.818 131 HA VAL 59 HA VAL 59 16.754 9.293 -0.686 132 HB VAL 59 HB VAL 59 18.295 9.597 -2.710 133 HG11 VAL 59 1HG1 VAL 59 17.442 9.337 -4.944 134 HG12 VAL 59 2HG1 VAL 59 17.230 7.775 -4.122 135 HG13 VAL 59 3HG1 VAL 59 15.842 8.843 -4.353 136 HG21 VAL 59 3HG2 VAL 59 16.869 11.397 -1.868 137 HG22 VAL 59 1HG2 VAL 59 17.020 11.470 -3.627 138 HG23 VAL 59 2HG2 VAL 59 15.533 10.856 -2.885 139 H ASN 60 H ASN 60 14.469 9.859 -1.226 140 HA ASN 60 HA ASN 60 12.741 7.611 -1.003 141 HB2 ASN 60 1HB ASN 60 12.025 10.448 -1.851 142 HB3 ASN 60 2HB ASN 60 10.932 9.251 -1.160 143 HD21 ASN 60 2HD2 ASN 60 11.484 8.492 1.122 144 HD22 ASN 60 1HD2 ASN 60 12.333 9.613 2.185 145 H GLY 61 H GLY 61 11.187 6.805 -2.496 146 HA2 GLY 61 1HA GLY 61 10.057 6.863 -4.635 147 HA3 GLY 61 2HA GLY 61 11.459 7.627 -5.355 148 H GLY 62 H GLY 62 9.917 4.643 -4.569 149 HA2 GLY 62 1HA GLY 62 10.153 2.583 -5.544 150 HA3 GLY 62 2HA GLY 62 11.586 3.154 -6.415 151 H HIS 63 H HIS 63 10.397 1.966 -3.292 152 HA HIS 63 HA HIS 63 13.148 1.186 -2.466 153 HB2 HIS 63 1HB HIS 63 10.561 1.821 -0.985 154 HB3 HIS 63 2HB HIS 63 11.964 1.108 -0.188 155 HD1 HIS 63 HD1 HIS 63 14.365 2.772 -1.095 156 HD2 HIS 63 HD2 HIS 63 10.500 4.315 -0.310 157 HE1 HIS 63 HE1 HIS 63 14.660 5.224 -0.537 158 HA PRO 64 HA PRO 64 11.944 -3.071 -2.789 159 HB2 PRO 64 2HB PRO 64 13.410 -4.326 -0.860 160 HB3 PRO 64 3HB PRO 64 14.194 -3.496 -2.236 161 HG2 PRO 64 2HG PRO 64 13.741 -2.399 0.554 162 HG3 PRO 64 3HG PRO 64 15.247 -2.400 -0.410 163 HD2 PRO 64 2HD PRO 64 13.584 -0.259 -0.330 164 HD3 PRO 64 3HD PRO 64 14.471 -0.711 -1.836 165 H VAL 65 H VAL 65 10.396 -4.485 -2.018 166 HA VAL 65 HA VAL 65 9.443 -4.226 0.802 167 HB VAL 65 HB VAL 65 7.128 -4.239 0.165 168 HG11 VAL 65 1HG1 VAL 65 8.697 -1.989 -1.157 169 HG12 VAL 65 2HG1 VAL 65 6.968 -1.978 -0.887 170 HG13 VAL 65 3HG1 VAL 65 8.041 -2.084 0.517 171 HG21 VAL 65 3HG2 VAL 65 6.316 -3.822 -2.071 172 HG22 VAL 65 1HG2 VAL 65 7.969 -3.963 -2.741 173 HG23 VAL 65 2HG2 VAL 65 7.168 -5.373 -1.997 174 H THR 66 H THR 66 7.918 -5.988 1.379 175 HA THR 66 HA THR 66 8.712 -8.564 0.214 176 HB THR 66 HB THR 66 8.576 -9.339 2.679 177 HG1 THR 66 1HG THR 66 9.405 -6.744 3.350 178 HG21 THR 66 3HG2 THR 66 10.923 -8.740 3.104 179 HG22 THR 66 1HG2 THR 66 10.885 -7.538 1.804 180 HG23 THR 66 2HG2 THR 66 10.691 -9.255 1.427 181 H THR 67 H THR 67 7.027 -10.248 0.669 182 HA THR 67 HA THR 67 4.465 -9.365 0.031 183 HB THR 67 HB THR 67 5.215 -11.954 1.440 184 HG1 THR 67 1HG THR 67 5.231 -12.467 -1.032 185 HG21 THR 67 3HG2 THR 67 3.022 -11.281 -0.575 186 HG22 THR 67 1HG2 THR 67 2.774 -11.587 1.155 187 HG23 THR 67 2HG2 THR 67 3.350 -12.893 0.123 188 H GLN 68 H GLN 68 5.901 -10.023 3.257 189 HA GLN 68 HA GLN 68 3.549 -9.882 4.762 190 HB2 GLN 68 1HB GLN 68 4.925 -9.238 6.650 191 HB3 GLN 68 2HB GLN 68 5.598 -10.606 5.815 192 HG2 GLN 68 1HG GLN 68 6.725 -7.964 4.942 193 HG3 GLN 68 2HG GLN 68 6.900 -8.273 6.648 194 HE21 GLN 68 2HE2 GLN 68 7.102 -11.284 4.814 195 HE22 GLN 68 1HE2 GLN 68 8.838 -11.266 4.728 196 H MET 69 H MET 69 5.491 -7.130 3.421 197 HA MET 69 HA MET 69 4.154 -5.168 4.985 198 HB2 MET 69 1HB MET 69 5.531 -5.100 2.273 199 HB3 MET 69 2HB MET 69 4.979 -3.654 3.123 200 HG2 MET 69 1HG MET 69 6.498 -4.107 4.970 201 HG3 MET 69 2HG MET 69 6.986 -5.631 4.232 202 HE1 MET 69 3HE MET 69 6.613 -1.847 2.885 203 HE2 MET 69 1HE MET 69 7.536 -1.788 4.406 204 HE3 MET 69 2HE MET 69 8.329 -1.385 2.873 205 H VAL 70 H VAL 70 3.365 -6.747 1.879 206 HA VAL 70 HA VAL 70 1.177 -5.086 1.187 207 HB VAL 70 HB VAL 70 1.519 -7.968 0.318 208 HG11 VAL 70 1HG1 VAL 70 -0.606 -6.893 -0.277 209 HG12 VAL 70 2HG1 VAL 70 0.298 -5.647 -1.165 210 HG13 VAL 70 3HG1 VAL 70 0.375 -7.340 -1.675 211 HG21 VAL 70 3HG2 VAL 70 2.837 -7.189 -1.580 212 HG22 VAL 70 1HG2 VAL 70 2.882 -5.553 -0.892 213 HG23 VAL 70 2HG2 VAL 70 3.673 -6.910 -0.059 214 H GLU 71 H GLU 71 1.168 -8.342 2.663 215 HA GLU 71 HA GLU 71 -1.655 -8.381 3.071 216 HB2 GLU 71 1HB GLU 71 -1.148 -10.117 4.871 217 HB3 GLU 71 2HB GLU 71 -0.638 -10.493 3.211 218 HG2 GLU 71 1HG GLU 71 1.581 -10.116 3.658 219 HG3 GLU 71 2HG GLU 71 1.272 -9.189 5.104 220 H THR 72 H THR 72 0.964 -7.129 5.248 221 HA THR 72 HA THR 72 -0.733 -6.638 7.458 222 HB THR 72 HB THR 72 1.768 -5.263 6.467 223 HG1 THR 72 1HG THR 72 1.271 -7.192 8.522 224 HG21 THR 72 3HG2 THR 72 2.157 -4.390 8.677 225 HG22 THR 72 1HG2 THR 72 0.769 -5.249 9.348 226 HG23 THR 72 2HG2 THR 72 0.510 -3.871 8.247 227 H VAL 73 H VAL 73 0.237 -4.239 4.841 228 HA VAL 73 HA VAL 73 -1.568 -2.237 5.630 229 HB VAL 73 HB VAL 73 -0.715 -3.106 2.844 230 HG11 VAL 73 1HG1 VAL 73 -2.782 -1.830 2.534 231 HG12 VAL 73 2HG1 VAL 73 -2.258 -0.644 3.732 232 HG13 VAL 73 3HG1 VAL 73 -1.447 -0.743 2.152 233 HG21 VAL 73 3HG2 VAL 73 0.165 -0.738 4.524 234 HG22 VAL 73 1HG2 VAL 73 1.091 -2.239 4.241 235 HG23 VAL 73 2HG2 VAL 73 0.711 -1.147 2.894 236 H GLN 74 H GLN 74 -2.166 -4.990 3.378 237 HA GLN 74 HA GLN 74 -4.831 -4.333 2.769 238 HB2 GLN 74 1HB GLN 74 -3.428 -6.143 1.665 239 HB3 GLN 74 2HB GLN 74 -3.753 -7.162 3.059 240 HG2 GLN 74 1HG GLN 74 -5.299 -7.837 1.432 241 HG3 GLN 74 2HG GLN 74 -6.238 -6.924 2.588 242 HE21 GLN 74 2HE2 GLN 74 -6.790 -4.479 1.852 243 HE22 GLN 74 1HE2 GLN 74 -7.007 -4.354 0.118 244 H ASN 75 H ASN 75 -3.639 -6.316 5.486 245 HA ASN 75 HA ASN 75 -6.140 -7.038 6.571 246 HB2 ASN 75 1HB ASN 75 -3.422 -6.569 7.882 247 HB3 ASN 75 2HB ASN 75 -4.813 -7.072 8.809 248 HD21 ASN 75 2HD2 ASN 75 -2.095 -8.295 7.413 249 HD22 ASN 75 1HD2 ASN 75 -2.631 -9.934 7.269 250 H LEU 76 H LEU 76 -4.205 -4.071 6.930 251 HA LEU 76 HA LEU 76 -6.103 -2.982 8.934 252 HB2 LEU 76 1HB LEU 76 -3.694 -1.631 7.728 253 HB3 LEU 76 2HB LEU 76 -4.615 -1.141 9.149 254 HG LEU 76 HG LEU 76 -2.707 -3.468 8.838 255 HD11 LEU 76 1HD1 LEU 76 -1.612 -2.496 10.746 256 HD12 LEU 76 2HD1 LEU 76 -2.839 -1.230 10.861 257 HD13 LEU 76 3HD1 LEU 76 -1.766 -1.314 9.450 258 HD21 LEU 76 3HD2 LEU 76 -4.749 -3.168 11.054 259 HD22 LEU 76 1HD2 LEU 76 -3.258 -4.130 11.199 260 HD23 LEU 76 2HD2 LEU 76 -4.459 -4.582 10.003 261 H ALA 77 H ALA 77 -5.727 -2.944 5.528 262 HA ALA 77 HA ALA 77 -7.745 -0.813 5.231 263 HB1 ALA 77 3HB ALA 77 -5.507 0.135 4.789 264 HB2 ALA 77 1HB ALA 77 -5.196 -1.148 3.606 265 HB3 ALA 77 2HB ALA 77 -6.476 0.034 3.299 266 HA PRO 78 HA PRO 78 -8.795 -4.762 2.971 267 HB2 PRO 78 2HB PRO 78 -11.442 -4.953 3.720 268 HB3 PRO 78 3HB PRO 78 -10.088 -5.590 4.693 269 HG2 PRO 78 2HG PRO 78 -11.480 -2.927 5.007 270 HG3 PRO 78 3HG PRO 78 -11.133 -4.147 6.273 271 HD2 PRO 78 2HD PRO 78 -9.484 -2.020 5.907 272 HD3 PRO 78 3HD PRO 78 -8.800 -3.651 6.231 273 H ASN 79 H ASN 79 -9.945 -1.505 3.028 274 HA ASN 79 HA ASN 79 -11.768 -1.614 0.754 275 HB2 ASN 79 1HB ASN 79 -11.496 0.069 2.829 276 HB3 ASN 79 2HB ASN 79 -10.429 0.895 1.699 277 HD21 ASN 79 2HD2 ASN 79 -11.586 0.839 -0.712 278 HD22 ASN 79 1HD2 ASN 79 -13.183 1.560 -0.636 279 H LEU 80 H LEU 80 -8.274 -1.666 1.004 280 HA LEU 80 HA LEU 80 -7.944 -0.266 -1.593 281 HB2 LEU 80 1HB LEU 80 -6.049 -1.363 0.516 282 HB3 LEU 80 2HB LEU 80 -5.472 -0.891 -1.067 283 HG LEU 80 HG LEU 80 -6.925 0.965 0.861 284 HD11 LEU 80 1HD1 LEU 80 -4.679 1.997 1.104 285 HD12 LEU 80 2HD1 LEU 80 -3.993 0.721 0.092 286 HD13 LEU 80 3HD1 LEU 80 -4.690 0.305 1.654 287 HD21 LEU 80 3HD2 LEU 80 -5.605 1.502 -1.843 288 HD22 LEU 80 1HD2 LEU 80 -6.062 2.770 -0.683 289 HD23 LEU 80 2HD2 LEU 80 -7.308 1.770 -1.404 290 H HIS 81 H HIS 81 -6.738 -1.253 -3.346 291 HA HIS 81 HA HIS 81 -7.576 -3.993 -3.822 292 HB2 HIS 81 1HB HIS 81 -7.534 -2.069 -5.524 293 HB3 HIS 81 2HB HIS 81 -5.782 -2.153 -5.436 294 HD2 HIS 81 HD2 HIS 81 -8.845 -3.894 -6.876 295 HE1 HIS 81 HE1 HIS 81 -5.440 -5.951 -8.419 296 HE2 HIS 81 HE2 HIS 81 -7.925 -5.615 -8.703 297 HA PRO 82 HA PRO 82 -3.745 -5.585 -2.248 298 HB2 PRO 82 2HB PRO 82 -3.351 -7.854 -3.744 299 HB3 PRO 82 3HB PRO 82 -4.523 -7.692 -2.393 300 HG2 PRO 82 2HG PRO 82 -5.048 -7.479 -5.363 301 HG3 PRO 82 3HG PRO 82 -6.025 -8.312 -4.112 302 HD2 PRO 82 2HD PRO 82 -6.621 -5.835 -5.054 303 HD3 PRO 82 3HD PRO 82 -6.984 -6.273 -3.384 304 H GLU 83 H GLU 83 -3.982 -5.071 -5.774 305 HA GLU 83 HA GLU 83 -1.104 -5.263 -6.037 306 HB2 GLU 83 1HB GLU 83 -3.411 -5.203 -7.787 307 HB3 GLU 83 2HB GLU 83 -2.299 -3.944 -8.315 308 HG2 GLU 83 1HG GLU 83 -1.911 -6.009 -9.476 309 HG3 GLU 83 2HG GLU 83 -0.500 -5.610 -8.485 310 H GLN 84 H GLN 84 -3.456 -2.638 -5.580 311 HA GLN 84 HA GLN 84 -1.644 -0.483 -6.191 312 HB2 GLN 84 1HB GLN 84 -3.959 -0.541 -4.209 313 HB3 GLN 84 2HB GLN 84 -3.114 0.897 -4.752 314 HG2 GLN 84 1HG GLN 84 -3.893 0.634 -7.028 315 HG3 GLN 84 2HG GLN 84 -4.676 -0.876 -6.636 316 HE21 GLN 84 2HE2 GLN 84 -4.587 2.633 -5.705 317 HE22 GLN 84 1HE2 GLN 84 -6.253 2.715 -5.243 318 H ILE 85 H ILE 85 -2.293 -2.450 -3.275 319 HA ILE 85 HA ILE 85 -0.940 -0.964 -1.353 320 HB ILE 85 HB ILE 85 -1.398 -3.933 -1.575 321 HG12 ILE 85 1HG1 ILE 85 -2.613 -1.787 0.248 322 HG13 ILE 85 2HG1 ILE 85 -3.330 -2.238 -1.279 323 HG21 ILE 85 1HG2 ILE 85 0.603 -3.567 -0.184 324 HG22 ILE 85 2HG2 ILE 85 -0.221 -2.298 0.725 325 HG23 ILE 85 3HG2 ILE 85 -0.751 -3.995 0.827 326 HD11 ILE 85 3HD1 ILE 85 -3.332 -4.648 -0.490 327 HD12 ILE 85 1HD1 ILE 85 -2.894 -4.045 1.108 328 HD13 ILE 85 2HD1 ILE 85 -4.426 -3.541 0.370 329 H ARG 86 H ARG 86 0.448 -3.771 -3.186 330 HA ARG 86 HA ARG 86 3.079 -3.497 -2.325 331 HB2 ARG 86 1HB ARG 86 2.483 -5.325 -3.708 332 HB3 ARG 86 2HB ARG 86 2.003 -4.292 -5.052 333 HG2 ARG 86 1HG ARG 86 4.823 -4.101 -3.967 334 HG3 ARG 86 2HG ARG 86 4.382 -5.518 -4.947 335 HD2 ARG 86 1HD ARG 86 4.491 -2.614 -5.843 336 HD3 ARG 86 2HD ARG 86 5.486 -3.950 -6.367 337 HE ARG 86 HE ARG 86 2.725 -3.328 -7.131 338 HH11 ARG 86 1HH1 ARG 86 5.681 -5.058 -7.897 339 HH12 ARG 86 2HH1 ARG 86 4.981 -5.964 -9.206 340 HH21 ARG 86 1HH2 ARG 86 1.703 -4.789 -8.668 341 HH22 ARG 86 2HH2 ARG 86 2.751 -5.575 -9.789 342 H TYR 87 H TYR 87 1.589 -1.697 -5.062 343 HA TYR 87 HA TYR 87 3.940 -0.306 -5.691 344 HB2 TYR 87 2HB TYR 87 1.676 -0.544 -6.972 345 HB3 TYR 87 3HB TYR 87 1.139 0.866 -6.086 346 HD1 TYR 87 2HD TYR 87 4.354 -0.208 -7.734 347 HD2 TYR 87 1HD TYR 87 1.275 2.806 -7.458 348 HE1 TYR 87 2HE TYR 87 5.554 1.122 -9.336 349 HE2 TYR 87 1HE TYR 87 2.468 4.168 -9.115 350 HH TYR 87 HH TYR 87 4.530 4.414 -10.360 351 H SER 88 H SER 88 1.338 0.588 -3.440 352 HA SER 88 HA SER 88 2.401 3.160 -2.831 353 HB2 SER 88 1HB SER 88 0.984 2.897 -0.751 354 HB3 SER 88 2HB SER 88 0.222 2.886 -2.340 355 HG SER 88 HG SER 88 0.767 0.388 -1.420 356 H LEU 89 H LEU 89 2.903 -0.032 -1.299 357 HA LEU 89 HA LEU 89 4.550 0.823 0.812 358 HB2 LEU 89 1HB LEU 89 4.673 -1.735 -0.813 359 HB3 LEU 89 2HB LEU 89 5.515 -1.449 0.718 360 HG LEU 89 HG LEU 89 2.502 -1.178 0.495 361 HD11 LEU 89 1HD1 LEU 89 2.944 -3.376 -0.229 362 HD12 LEU 89 2HD1 LEU 89 2.433 -3.440 1.449 363 HD13 LEU 89 3HD1 LEU 89 4.153 -3.652 1.023 364 HD21 LEU 89 3HD2 LEU 89 2.772 -1.742 2.948 365 HD22 LEU 89 1HD2 LEU 89 3.287 -0.133 2.426 366 HD23 LEU 89 2HD2 LEU 89 4.484 -1.404 2.763 367 H GLU 90 H GLU 90 5.352 0.128 -2.587 368 HA GLU 90 HA GLU 90 8.231 0.275 -2.233 369 HB2 GLU 90 1HB GLU 90 6.273 0.247 -4.570 370 HB3 GLU 90 2HB GLU 90 7.973 0.599 -4.789 371 HG2 GLU 90 1HG GLU 90 8.408 -1.625 -3.460 372 HG3 GLU 90 2HG GLU 90 6.694 -1.928 -3.592 373 H ASN 91 H ASN 91 5.638 2.479 -2.811 374 HA ASN 91 HA ASN 91 7.432 4.715 -3.520 375 HB2 ASN 91 1HB ASN 91 4.430 4.406 -3.360 376 HB3 ASN 91 2HB ASN 91 5.143 6.026 -3.306 377 HD21 ASN 91 2HD2 ASN 91 4.770 3.137 -5.296 378 HD22 ASN 91 1HD2 ASN 91 5.491 3.807 -6.753 379 H THR 92 H THR 92 5.416 3.954 -0.556 380 HA THR 92 HA THR 92 6.176 6.395 0.761 381 HB THR 92 HB THR 92 4.971 5.282 2.621 382 HG1 THR 92 1HG THR 92 3.936 3.192 1.878 383 HG21 THR 92 3HG2 THR 92 3.554 6.383 0.979 384 HG22 THR 92 1HG2 THR 92 2.761 4.924 1.584 385 HG23 THR 92 2HG2 THR 92 3.508 4.926 -0.022 386 H GLY 93 H GLY 93 7.056 2.936 0.896 387 HA2 GLY 93 1HA GLY 93 9.150 2.042 1.575 388 HA3 GLY 93 2HA GLY 93 9.657 3.590 2.197 389 H SER 94 H SER 94 6.536 3.074 3.362 390 HA SER 94 HA SER 94 7.275 1.428 5.697 391 HB2 SER 94 1HB SER 94 6.909 4.379 5.710 392 HB3 SER 94 2HB SER 94 5.935 3.502 6.898 393 HG SER 94 HG SER 94 8.254 4.139 7.357 394 H VAL 95 H VAL 95 5.685 0.104 6.213 395 HA VAL 95 HA VAL 95 3.174 0.005 4.821 396 HB VAL 95 HB VAL 95 4.093 -1.330 7.406 397 HG11 VAL 95 1HG1 VAL 95 1.395 -1.269 6.301 398 HG12 VAL 95 2HG1 VAL 95 2.045 -2.897 6.559 399 HG13 VAL 95 3HG1 VAL 95 1.987 -1.730 7.890 400 HG21 VAL 95 3HG2 VAL 95 5.258 -1.962 5.269 401 HG22 VAL 95 1HG2 VAL 95 4.482 -3.264 6.177 402 HG23 VAL 95 2HG2 VAL 95 3.685 -2.615 4.739 403 H GLU 96 H GLU 96 4.192 1.148 8.084 404 HA GLU 96 HA GLU 96 1.691 2.056 8.951 405 HB2 GLU 96 1HB GLU 96 2.898 3.270 10.623 406 HB3 GLU 96 2HB GLU 96 3.645 1.713 10.344 407 HG2 GLU 96 1HG GLU 96 5.452 3.107 10.647 408 HG3 GLU 96 2HG GLU 96 5.370 2.874 8.899 409 H GLU 97 H GLU 97 4.180 3.895 7.059 410 HA GLU 97 HA GLU 97 2.739 6.270 6.903 411 HB2 GLU 97 1HB GLU 97 5.055 6.152 6.177 412 HB3 GLU 97 2HB GLU 97 4.641 5.036 4.847 413 HG2 GLU 97 1HG GLU 97 3.549 6.651 3.559 414 HG3 GLU 97 2HG GLU 97 3.259 7.709 4.954 415 H THR 98 H THR 98 2.553 3.430 4.875 416 HA THR 98 HA THR 98 0.768 4.362 2.895 417 HB THR 98 HB THR 98 1.132 1.497 3.866 418 HG1 THR 98 1HG THR 98 3.142 2.331 3.469 419 HG21 THR 98 3HG2 THR 98 0.373 2.736 1.222 420 HG22 THR 98 1HG2 THR 98 -0.644 1.693 2.228 421 HG23 THR 98 2HG2 THR 98 0.789 1.012 1.431 422 H VAL 99 H VAL 99 0.210 2.784 5.992 423 HA VAL 99 HA VAL 99 -2.690 2.636 5.641 424 HB VAL 99 HB VAL 99 -0.940 2.160 8.070 425 HG11 VAL 99 1HG1 VAL 99 -3.233 2.725 8.815 426 HG12 VAL 99 2HG1 VAL 99 -3.914 1.562 7.661 427 HG13 VAL 99 3HG1 VAL 99 -2.924 1.001 9.030 428 HG21 VAL 99 3HG2 VAL 99 -0.636 0.544 6.188 429 HG22 VAL 99 1HG2 VAL 99 -1.408 -0.223 7.567 430 HG23 VAL 99 2HG2 VAL 99 -2.380 0.249 6.158 431 H GLU 100 H GLU 100 -0.443 4.876 7.280 432 HA GLU 100 HA GLU 100 -2.417 6.467 8.569 433 HB2 GLU 100 1HB GLU 100 0.474 6.861 7.815 434 HB3 GLU 100 2HB GLU 100 -0.428 8.156 8.554 435 HG2 GLU 100 1HG GLU 100 -0.148 5.390 9.791 436 HG3 GLU 100 2HG GLU 100 0.917 6.737 10.145 437 H ARG 101 H ARG 101 -0.970 6.650 5.323 438 HA ARG 101 HA ARG 101 -2.351 9.181 4.770 439 HB2 ARG 101 1HB ARG 101 -1.465 8.913 2.513 440 HB3 ARG 101 2HB ARG 101 -0.208 8.690 3.716 441 HG2 ARG 101 1HG ARG 101 -0.672 6.165 3.486 442 HG3 ARG 101 2HG ARG 101 -1.624 6.572 2.110 443 HD2 ARG 101 1HD ARG 101 1.344 6.927 2.523 444 HD3 ARG 101 2HD ARG 101 0.576 5.853 1.367 445 HE ARG 101 HE ARG 101 0.853 8.786 1.313 446 HH11 ARG 101 1HH1 ARG 101 -0.394 6.071 -0.598 447 HH12 ARG 101 2HH1 ARG 101 -1.403 7.102 -1.584 448 HH21 ARG 101 1HH2 ARG 101 0.032 10.061 -0.366 449 HH22 ARG 101 2HH2 ARG 101 -0.885 9.347 -1.652 450 H TYR 102 H TYR 102 -2.851 5.719 4.124 451 HA TYR 102 HA TYR 102 -5.134 5.878 2.444 452 HB2 TYR 102 2HB TYR 102 -4.385 3.772 2.605 453 HB3 TYR 102 3HB TYR 102 -4.022 3.867 4.323 454 HD1 TYR 102 1HD TYR 102 -6.828 3.463 1.897 455 HD2 TYR 102 2HD TYR 102 -5.527 3.124 5.998 456 HE1 TYR 102 1HE TYR 102 -8.803 2.099 2.409 457 HE2 TYR 102 2HE TYR 102 -7.520 1.808 6.536 458 HH TYR 102 HH TYR 102 -9.417 0.754 5.681 459 H LEU 103 H LEU 103 -5.110 5.644 6.022 460 HA LEU 103 HA LEU 103 -7.911 5.852 6.266 461 HB2 LEU 103 1HB LEU 103 -7.518 6.340 8.611 462 HB3 LEU 103 2HB LEU 103 -6.656 4.926 8.006 463 HG LEU 103 HG LEU 103 -4.628 6.565 7.801 464 HD11 LEU 103 1HD1 LEU 103 -4.512 8.322 9.449 465 HD12 LEU 103 2HD1 LEU 103 -6.184 8.030 9.960 466 HD13 LEU 103 3HD1 LEU 103 -5.819 8.695 8.349 467 HD21 LEU 103 3HD2 LEU 103 -4.755 4.655 9.334 468 HD22 LEU 103 1HD2 LEU 103 -5.659 5.637 10.508 469 HD23 LEU 103 2HD2 LEU 103 -3.981 6.029 10.119 470 H ARG 104 H ARG 104 -5.773 8.299 5.381 471 HA ARG 104 HA ARG 104 -7.558 10.504 6.303 472 HB2 ARG 104 1HB ARG 104 -5.782 11.857 6.170 473 HB3 ARG 104 2HB ARG 104 -4.832 10.377 6.082 474 HG2 ARG 104 1HG ARG 104 -5.166 10.596 3.475 475 HG3 ARG 104 2HG ARG 104 -5.663 12.240 3.804 476 HD2 ARG 104 1HD ARG 104 -3.074 11.312 5.039 477 HD3 ARG 104 2HD ARG 104 -3.147 11.461 3.283 478 HE ARG 104 HE ARG 104 -4.166 13.720 4.858 479 HH11 ARG 104 1HH1 ARG 104 -1.698 12.527 2.546 480 HH12 ARG 104 2HH1 ARG 104 -0.745 13.963 2.666 481 HH21 ARG 104 1HH2 ARG 104 -3.036 15.738 4.659 482 HH22 ARG 104 2HH2 ARG 104 -1.576 15.810 3.695 483 H GLY 105 H GLY 105 -7.317 8.348 3.664 484 HA2 GLY 105 1HA GLY 105 -8.723 8.238 1.831 485 HA3 GLY 105 2HA GLY 105 -9.273 9.887 2.140 486 H ASP 106 H ASP 106 -5.800 9.147 1.962 487 HA ASP 106 HA ASP 106 -5.273 11.151 0.048 488 HB2 ASP 106 1HB ASP 106 -3.753 9.793 1.807 489 HB3 ASP 106 2HB ASP 106 -3.309 8.932 0.330 490 H GLU 107 H GLU 107 -3.625 10.397 -1.882 491 HA GLU 107 HA GLU 107 -5.244 8.886 -3.824 492 HB2 GLU 107 1HB GLU 107 -3.921 9.887 -5.465 493 HB3 GLU 107 2HB GLU 107 -4.455 11.110 -4.309 494 HG2 GLU 107 1HG GLU 107 -2.231 11.219 -3.303 495 HG3 GLU 107 2HG GLU 107 -1.643 9.929 -4.359 496 H PHE 108 H PHE 108 -4.783 7.068 -4.821 497 HA PHE 108 HA PHE 108 -2.259 5.661 -4.217 498 HB2 PHE 108 2HB PHE 108 -5.093 4.748 -3.597 499 HB3 PHE 108 3HB PHE 108 -3.800 3.602 -3.915 500 HD1 PHE 108 2HD PHE 108 -4.872 6.287 -1.569 501 HD2 PHE 108 1HD PHE 108 -2.081 3.137 -2.405 502 HE1 PHE 108 2HE PHE 108 -4.071 6.392 0.759 503 HE2 PHE 108 1HE PHE 108 -1.405 3.090 -0.004 504 HZ PHE 108 HZ PHE 108 -2.407 4.708 1.590 505 H SER 109 H SER 109 -1.520 5.467 -6.166 506 HA SER 109 HA SER 109 -3.157 4.856 -8.498 507 HB2 SER 109 1HB SER 109 -0.106 4.754 -8.142 508 HB3 SER 109 2HB SER 109 -0.950 4.818 -9.694 509 HG SER 109 HG SER 109 -0.070 6.808 -8.997 510 H PHE 110 H PHE 110 -2.165 3.064 -9.985 511 HA PHE 110 HA PHE 110 -2.088 0.467 -8.554 512 HB2 PHE 110 2HB PHE 110 -3.061 1.384 -11.284 513 HB3 PHE 110 3HB PHE 110 -2.617 -0.284 -11.016 514 HD1 PHE 110 2HD PHE 110 -3.882 -1.794 -9.524 515 HD2 PHE 110 1HD PHE 110 -5.105 2.310 -10.197 516 HE1 PHE 110 2HE PHE 110 -6.087 -2.276 -8.553 517 HE2 PHE 110 1HE PHE 110 -7.320 1.794 -9.225 518 HZ PHE 110 HZ PHE 110 -7.811 -0.504 -8.386 519 HA PRO 111 HA PRO 111 2.055 0.046 -9.888 520 HB2 PRO 111 2HB PRO 111 2.308 -2.638 -10.546 521 HB3 PRO 111 3HB PRO 111 2.205 -1.998 -8.878 522 HG2 PRO 111 2HG PRO 111 0.024 -3.204 -10.562 523 HG3 PRO 111 3HG PRO 111 0.351 -3.456 -8.817 524 HD2 PRO 111 2HD PRO 111 -1.575 -1.759 -9.757 525 HD3 PRO 111 3HD PRO 111 -0.688 -1.431 -8.245 526 HA PRO 112 HA PRO 112 2.368 0.663 -14.218 527 HB2 PRO 112 2HB PRO 112 4.951 -0.173 -14.789 528 HB3 PRO 112 3HB PRO 112 4.518 1.356 -13.954 529 HG2 PRO 112 2HG PRO 112 5.319 -1.272 -12.685 530 HG3 PRO 112 3HG PRO 112 5.954 0.372 -12.346 531 HD2 PRO 112 2HD PRO 112 4.030 -0.640 -10.787 532 HD3 PRO 112 3HD PRO 112 3.896 1.053 -11.356 533 H GLY 113 H GLY 113 1.369 -0.427 -15.707 534 HA2 GLY 113 1HA GLY 113 1.302 -2.094 -17.407 535 HA3 GLY 113 2HA GLY 113 2.064 -3.259 -16.313 536 H PHE 114 H PHE 114 -0.188 -1.630 -14.399 537 HA PHE 114 HA PHE 114 -2.063 -3.906 -14.537 538 HB2 PHE 114 2HB PHE 114 -1.339 -2.805 -12.402 539 HB3 PHE 114 3HB PHE 114 -2.079 -1.307 -12.948 540 HD1 PHE 114 1HD PHE 114 -4.574 -1.115 -13.148 541 HD2 PHE 114 2HD PHE 114 -2.667 -4.591 -11.433 542 HE1 PHE 114 1HE PHE 114 -6.740 -1.850 -12.200 543 HE2 PHE 114 2HE PHE 114 -4.833 -5.294 -10.472 544 HZ PHE 114 HZ PHE 114 -6.885 -3.938 -10.878 545 H GLU 115 H GLU 115 -1.854 -0.514 -15.541 546 HA GLU 115 HA GLU 115 -4.661 -0.247 -16.255 547 HB2 GLU 115 1HB GLU 115 -2.276 1.546 -16.800 548 HB3 GLU 115 2HB GLU 115 -3.986 1.988 -16.973 549 HG2 GLU 115 1HG GLU 115 -4.380 1.872 -14.621 550 HG3 GLU 115 2HG GLU 115 -2.828 1.112 -14.287 Start of MODEL 12 1 H1 GLY 41 H GLY 41 -23.884 7.578 -13.793 2 HA2 GLY 41 1HA GLY 41 -21.936 8.973 -14.174 3 HA3 GLY 41 2HA GLY 41 -21.075 8.005 -12.959 4 H ALA 42 H ALA 42 -19.604 6.763 -13.878 5 HA ALA 42 HA ALA 42 -20.213 4.800 -15.886 6 HB1 ALA 42 3HB ALA 42 -18.325 5.541 -17.346 7 HB2 ALA 42 1HB ALA 42 -19.625 6.748 -17.321 8 HB3 ALA 42 2HB ALA 42 -18.142 6.991 -16.366 9 H MET 43 H MET 43 -17.729 3.714 -16.170 10 HA MET 43 HA MET 43 -16.209 3.932 -13.662 11 HB2 MET 43 1HB MET 43 -18.009 2.466 -12.972 12 HB3 MET 43 2HB MET 43 -17.840 1.465 -14.422 13 HG2 MET 43 1HG MET 43 -15.655 0.711 -13.691 14 HG3 MET 43 2HG MET 43 -15.715 1.766 -12.269 15 HE1 MET 43 3HE MET 43 -15.052 -0.461 -10.798 16 HE2 MET 43 1HE MET 43 -15.878 -2.022 -11.069 17 HE3 MET 43 2HE MET 43 -14.969 -1.250 -12.377 18 H GLY 44 H GLY 44 -16.754 1.989 -16.647 19 HA2 GLY 44 1HA GLY 44 -15.292 1.242 -18.252 20 HA3 GLY 44 2HA GLY 44 -14.141 2.461 -17.675 21 HA PRO 45 HA PRO 45 -13.261 -1.299 -14.775 22 HB2 PRO 45 2HB PRO 45 -14.525 -3.702 -15.219 23 HB3 PRO 45 3HB PRO 45 -15.194 -2.422 -14.170 24 HG2 PRO 45 2HG PRO 45 -15.836 -2.949 -17.082 25 HG3 PRO 45 3HG PRO 45 -16.984 -2.708 -15.721 26 HD2 PRO 45 2HD PRO 45 -16.338 -0.682 -17.385 27 HD3 PRO 45 3HD PRO 45 -16.506 -0.394 -15.627 28 H GLN 46 H GLN 46 -11.382 -2.295 -15.174 29 HA GLN 46 HA GLN 46 -10.576 -2.876 -17.932 30 HB2 GLN 46 1HB GLN 46 -9.224 -2.864 -15.210 31 HB3 GLN 46 2HB GLN 46 -8.479 -3.775 -16.493 32 HG2 GLN 46 1HG GLN 46 -9.135 -0.826 -16.645 33 HG3 GLN 46 2HG GLN 46 -7.542 -1.509 -16.297 34 HE21 GLN 46 2HE2 GLN 46 -7.630 0.230 -18.428 35 HE22 GLN 46 1HE2 GLN 46 -7.557 -0.637 -19.946 36 H GLY 47 H GLY 47 -9.593 -5.002 -18.473 37 HA2 GLY 47 1HA GLY 47 -9.843 -7.393 -17.077 38 HA3 GLY 47 2HA GLY 47 -11.409 -7.158 -17.891 39 H SER 48 H SER 48 -7.872 -6.966 -18.527 40 HA SER 48 HA SER 48 -8.076 -8.481 -20.985 41 HB2 SER 48 1HB SER 48 -8.567 -6.025 -21.570 42 HB3 SER 48 2HB SER 48 -6.942 -5.639 -20.986 43 HG SER 48 HG SER 48 -7.718 -7.338 -23.128 44 H THR 49 H THR 49 -5.416 -8.102 -21.807 45 HA THR 49 HA THR 49 -3.973 -9.229 -19.491 46 HB THR 49 HB THR 49 -2.096 -9.435 -21.121 47 HG1 THR 49 1HG THR 49 -3.327 -7.836 -22.657 48 HG21 THR 49 3HG2 THR 49 -3.119 -11.378 -22.249 49 HG22 THR 49 1HG2 THR 49 -4.739 -10.757 -21.854 50 HG23 THR 49 2HG2 THR 49 -3.653 -11.254 -20.556 51 H GLN 50 H GLN 50 -3.113 -7.917 -18.054 52 HA GLN 50 HA GLN 50 -2.806 -5.093 -18.450 53 HB2 GLN 50 1HB GLN 50 -1.992 -5.124 -16.176 54 HB3 GLN 50 2HB GLN 50 -3.417 -6.119 -16.353 55 HG2 GLN 50 1HG GLN 50 -1.724 -8.114 -16.472 56 HG3 GLN 50 2HG GLN 50 -0.575 -6.964 -15.783 57 HE21 GLN 50 2HE2 GLN 50 -1.982 -9.474 -14.628 58 HE22 GLN 50 1HE2 GLN 50 -2.780 -8.885 -13.184 59 H ASN 51 H ASN 51 -1.153 -4.025 -19.453 60 HA ASN 51 HA ASN 51 1.522 -5.209 -19.389 61 HB2 ASN 51 1HB ASN 51 1.759 -5.337 -21.874 62 HB3 ASN 51 2HB ASN 51 0.689 -6.533 -21.150 63 HD21 ASN 51 2HD2 ASN 51 -0.773 -3.368 -21.578 64 HD22 ASN 51 1HD2 ASN 51 -1.776 -3.827 -22.929 65 H ALA 52 H ALA 52 2.500 -3.389 -18.560 66 HA ALA 52 HA ALA 52 2.091 -0.768 -19.712 67 HB1 ALA 52 3HB ALA 52 4.240 -0.175 -18.586 68 HB2 ALA 52 1HB ALA 52 3.078 -0.897 -17.482 69 HB3 ALA 52 2HB ALA 52 4.449 -1.872 -18.086 70 H LEU 53 H LEU 53 3.012 0.090 -21.519 71 HA LEU 53 HA LEU 53 5.359 -1.219 -22.780 72 HB2 LEU 53 1HB LEU 53 4.355 -1.243 -24.909 73 HB3 LEU 53 2HB LEU 53 3.282 -2.085 -23.832 74 HG LEU 53 HG LEU 53 2.771 0.864 -24.392 75 HD11 LEU 53 1HD1 LEU 53 1.984 -1.402 -26.265 76 HD12 LEU 53 2HD1 LEU 53 3.128 -0.086 -26.618 77 HD13 LEU 53 3HD1 LEU 53 1.422 0.282 -26.356 78 HD21 LEU 53 3HD2 LEU 53 0.911 -1.519 -23.926 79 HD22 LEU 53 1HD2 LEU 53 0.421 0.168 -24.152 80 HD23 LEU 53 2HD2 LEU 53 1.331 -0.291 -22.724 81 H ARG 54 H ARG 54 4.209 1.586 -21.515 82 HA ARG 54 HA ARG 54 5.830 3.284 -23.344 83 HB2 ARG 54 1HB ARG 54 3.330 3.721 -23.249 84 HB3 ARG 54 2HB ARG 54 3.532 4.152 -21.551 85 HG2 ARG 54 1HG ARG 54 3.529 6.198 -22.727 86 HG3 ARG 54 2HG ARG 54 5.226 5.919 -22.316 87 HD2 ARG 54 1HD ARG 54 5.565 4.986 -24.650 88 HD3 ARG 54 2HD ARG 54 3.876 5.397 -25.008 89 HE ARG 54 HE ARG 54 5.230 7.673 -23.962 90 HH11 ARG 54 1HH1 ARG 54 4.985 5.798 -26.997 91 HH12 ARG 54 2HH1 ARG 54 5.669 7.048 -27.965 92 HH21 ARG 54 1HH2 ARG 54 6.128 9.316 -25.260 93 HH22 ARG 54 2HH2 ARG 54 6.358 9.094 -26.948 94 H ARG 55 H ARG 55 7.764 3.501 -22.478 95 HA ARG 55 HA ARG 55 8.424 3.332 -19.683 96 HB2 ARG 55 1HB ARG 55 9.756 3.056 -22.044 97 HB3 ARG 55 2HB ARG 55 10.157 4.727 -21.754 98 HG2 ARG 55 1HG ARG 55 11.921 3.259 -21.025 99 HG3 ARG 55 2HG ARG 55 11.244 4.076 -19.617 100 HD2 ARG 55 1HD ARG 55 10.322 2.095 -18.757 101 HD3 ARG 55 2HD ARG 55 10.061 1.415 -20.363 102 HE ARG 55 HE ARG 55 12.866 1.620 -19.845 103 HH11 ARG 55 1HH1 ARG 55 10.080 -0.311 -18.677 104 HH12 ARG 55 2HH1 ARG 55 11.016 -1.762 -18.556 105 HH21 ARG 55 1HH2 ARG 55 14.018 -0.411 -19.790 106 HH22 ARG 55 2HH2 ARG 55 13.203 -1.798 -19.122 107 H THR 56 H THR 56 9.335 5.159 -18.322 108 HA THR 56 HA THR 56 8.374 7.837 -19.210 109 HB THR 56 HB THR 56 7.912 8.304 -16.813 110 HG1 THR 56 1HG THR 56 7.490 6.515 -15.493 111 HG21 THR 56 3HG2 THR 56 6.153 7.725 -18.472 112 HG22 THR 56 1HG2 THR 56 5.719 7.223 -16.837 113 HG23 THR 56 2HG2 THR 56 6.278 6.024 -18.018 114 H GLY 57 H GLY 57 10.262 7.118 -16.290 115 HA2 GLY 57 1HA GLY 57 12.847 7.204 -17.149 116 HA3 GLY 57 2HA GLY 57 12.363 8.904 -17.271 117 H ARG 58 H ARG 58 10.859 9.405 -15.064 118 HA ARG 58 HA ARG 58 12.908 9.363 -13.002 119 HB2 ARG 58 1HB ARG 58 10.015 10.267 -12.746 120 HB3 ARG 58 2HB ARG 58 11.328 10.650 -11.665 121 HG2 ARG 58 1HG ARG 58 11.069 11.627 -14.538 122 HG3 ARG 58 2HG ARG 58 10.820 12.574 -13.078 123 HD2 ARG 58 1HD ARG 58 13.431 11.359 -14.033 124 HD3 ARG 58 2HD ARG 58 13.002 13.074 -14.060 125 HE ARG 58 HE ARG 58 12.749 12.723 -11.494 126 HH11 ARG 58 1HH1 ARG 58 15.394 11.588 -13.589 127 HH12 ARG 58 2HH1 ARG 58 16.512 11.345 -12.287 128 HH21 ARG 58 1HH2 ARG 58 14.261 12.295 -9.733 129 HH22 ARG 58 2HH2 ARG 58 15.886 11.872 -10.100 130 H VAL 59 H VAL 59 11.922 8.857 -10.646 131 HA VAL 59 HA VAL 59 10.880 6.060 -10.768 132 HB VAL 59 HB VAL 59 13.354 6.484 -10.349 133 HG11 VAL 59 1HG1 VAL 59 14.092 7.183 -8.172 134 HG12 VAL 59 2HG1 VAL 59 13.064 8.467 -8.840 135 HG13 VAL 59 3HG1 VAL 59 12.437 7.381 -7.585 136 HG21 VAL 59 3HG2 VAL 59 11.878 4.946 -8.202 137 HG22 VAL 59 1HG2 VAL 59 12.377 4.354 -9.808 138 HG23 VAL 59 2HG2 VAL 59 13.607 4.820 -8.646 139 H ASN 60 H ASN 60 10.710 9.177 -9.192 140 HA ASN 60 HA ASN 60 9.538 10.162 -7.718 141 HB2 ASN 60 1HB ASN 60 7.458 8.517 -9.006 142 HB3 ASN 60 2HB ASN 60 7.014 9.371 -7.533 143 HD21 ASN 60 2HD2 ASN 60 8.825 9.917 -10.471 144 HD22 ASN 60 1HD2 ASN 60 8.433 11.601 -10.768 145 H GLY 61 H GLY 61 10.023 6.889 -6.914 146 HA2 GLY 61 1HA GLY 61 10.588 7.067 -4.282 147 HA3 GLY 61 2HA GLY 61 8.804 6.985 -4.276 148 H GLY 62 H GLY 62 11.596 5.061 -4.359 149 HA2 GLY 62 1HA GLY 62 10.017 2.703 -5.098 150 HA3 GLY 62 2HA GLY 62 11.383 3.070 -6.153 151 H HIS 63 H HIS 63 10.339 1.908 -3.106 152 HA HIS 63 HA HIS 63 13.111 1.380 -2.138 153 HB2 HIS 63 1HB HIS 63 10.432 1.807 -0.739 154 HB3 HIS 63 2HB HIS 63 11.859 1.185 0.082 155 HD1 HIS 63 HD1 HIS 63 13.688 2.941 0.780 156 HD2 HIS 63 HD2 HIS 63 10.614 4.426 -1.692 157 HE1 HIS 63 HE1 HIS 63 14.128 5.443 0.526 158 HA PRO 64 HA PRO 64 11.926 -2.867 -2.736 159 HB2 PRO 64 2HB PRO 64 13.374 -4.248 -0.890 160 HB3 PRO 64 3HB PRO 64 14.135 -3.366 -2.247 161 HG2 PRO 64 2HG PRO 64 13.798 -2.424 0.617 162 HG3 PRO 64 3HG PRO 64 15.276 -2.382 -0.390 163 HD2 PRO 64 2HD PRO 64 13.619 -0.213 -0.124 164 HD3 PRO 64 3HD PRO 64 14.491 -0.572 -1.653 165 H VAL 65 H VAL 65 10.346 -4.256 -2.032 166 HA VAL 65 HA VAL 65 9.319 -4.069 0.738 167 HB VAL 65 HB VAL 65 7.038 -3.915 -0.004 168 HG11 VAL 65 1HG1 VAL 65 8.753 -1.700 -1.199 169 HG12 VAL 65 2HG1 VAL 65 7.028 -1.623 -0.966 170 HG13 VAL 65 3HG1 VAL 65 8.097 -1.792 0.438 171 HG21 VAL 65 3HG2 VAL 65 6.384 -3.426 -2.329 172 HG22 VAL 65 1HG2 VAL 65 8.055 -3.736 -2.865 173 HG23 VAL 65 2HG2 VAL 65 7.081 -5.036 -2.157 174 H THR 66 H THR 66 7.963 -5.906 1.283 175 HA THR 66 HA THR 66 8.540 -8.358 -0.272 176 HB THR 66 HB THR 66 8.366 -9.303 2.164 177 HG1 THR 66 1HG THR 66 9.721 -6.975 2.916 178 HG21 THR 66 3HG2 THR 66 10.358 -9.662 0.874 179 HG22 THR 66 1HG2 THR 66 10.856 -9.096 2.471 180 HG23 THR 66 2HG2 THR 66 10.887 -7.985 1.081 181 H THR 67 H THR 67 6.743 -9.994 0.029 182 HA THR 67 HA THR 67 4.260 -8.749 -0.217 183 HB THR 67 HB THR 67 4.812 -11.626 0.507 184 HG1 THR 67 1HG THR 67 4.603 -10.299 -2.004 185 HG21 THR 67 3HG2 THR 67 2.418 -11.115 0.670 186 HG22 THR 67 1HG2 THR 67 2.678 -11.939 -0.863 187 HG23 THR 67 2HG2 THR 67 2.467 -10.180 -0.843 188 H GLN 68 H GLN 68 5.842 -9.866 2.779 189 HA GLN 68 HA GLN 68 3.545 -9.948 4.408 190 HB2 GLN 68 1HB GLN 68 5.088 -9.372 6.288 191 HB3 GLN 68 2HB GLN 68 5.497 -10.797 5.391 192 HG2 GLN 68 1HG GLN 68 6.808 -8.237 4.449 193 HG3 GLN 68 2HG GLN 68 7.238 -8.774 6.063 194 HE21 GLN 68 2HE2 GLN 68 6.480 -11.415 3.752 195 HE22 GLN 68 1HE2 GLN 68 8.170 -11.759 3.435 196 H MET 69 H MET 69 5.366 -7.092 3.217 197 HA MET 69 HA MET 69 4.124 -5.225 4.995 198 HB2 MET 69 1HB MET 69 5.454 -5.085 2.270 199 HB3 MET 69 2HB MET 69 4.889 -3.638 3.132 200 HG2 MET 69 1HG MET 69 6.432 -4.072 4.916 201 HG3 MET 69 2HG MET 69 6.920 -5.615 4.209 202 HE1 MET 69 3HE MET 69 8.152 -1.395 2.762 203 HE2 MET 69 1HE MET 69 6.455 -1.896 2.650 204 HE3 MET 69 2HE MET 69 7.247 -1.769 4.236 205 H VAL 70 H VAL 70 3.394 -6.482 1.741 206 HA VAL 70 HA VAL 70 1.210 -4.868 1.105 207 HB VAL 70 HB VAL 70 1.538 -7.733 0.171 208 HG11 VAL 70 1HG1 VAL 70 0.514 -6.915 -1.842 209 HG12 VAL 70 2HG1 VAL 70 -0.511 -6.509 -0.453 210 HG13 VAL 70 3HG1 VAL 70 0.516 -5.262 -1.221 211 HG21 VAL 70 3HG2 VAL 70 2.952 -6.968 -1.628 212 HG22 VAL 70 1HG2 VAL 70 2.940 -5.312 -1.010 213 HG23 VAL 70 2HG2 VAL 70 3.745 -6.598 -0.089 214 H GLU 71 H GLU 71 1.138 -8.176 2.521 215 HA GLU 71 HA GLU 71 -1.687 -8.190 2.887 216 HB2 GLU 71 1HB GLU 71 -1.201 -9.891 4.753 217 HB3 GLU 71 2HB GLU 71 -0.687 -10.322 3.094 218 HG2 GLU 71 1HG GLU 71 1.530 -9.831 3.540 219 HG3 GLU 71 2HG GLU 71 1.152 -8.926 4.968 220 H THR 72 H THR 72 0.945 -6.890 5.045 221 HA THR 72 HA THR 72 -0.779 -6.421 7.232 222 HB THR 72 HB THR 72 1.533 -4.633 6.406 223 HG1 THR 72 1HG THR 72 1.444 -6.870 8.117 224 HG21 THR 72 3HG2 THR 72 0.151 -5.194 9.102 225 HG22 THR 72 1HG2 THR 72 0.096 -3.662 8.221 226 HG23 THR 72 2HG2 THR 72 1.619 -4.239 8.907 227 H VAL 73 H VAL 73 0.045 -3.965 4.628 228 HA VAL 73 HA VAL 73 -1.847 -2.087 5.548 229 HB VAL 73 HB VAL 73 -1.284 -2.622 2.628 230 HG11 VAL 73 1HG1 VAL 73 -1.819 -0.331 2.212 231 HG12 VAL 73 2HG1 VAL 73 -3.136 -0.970 3.173 232 HG13 VAL 73 3HG1 VAL 73 -1.922 0.048 3.952 233 HG21 VAL 73 3HG2 VAL 73 0.861 -2.341 3.783 234 HG22 VAL 73 1HG2 VAL 73 0.500 -0.946 2.762 235 HG23 VAL 73 2HG2 VAL 73 0.289 -0.822 4.514 236 H GLN 74 H GLN 74 -2.344 -4.800 3.260 237 HA GLN 74 HA GLN 74 -5.060 -4.338 2.726 238 HB2 GLN 74 1HB GLN 74 -3.700 -6.009 1.565 239 HB3 GLN 74 2HB GLN 74 -3.782 -7.059 2.967 240 HG2 GLN 74 1HG GLN 74 -5.388 -7.923 1.524 241 HG3 GLN 74 2HG GLN 74 -6.306 -7.035 2.717 242 HE21 GLN 74 2HE2 GLN 74 -6.871 -4.548 1.863 243 HE22 GLN 74 1HE2 GLN 74 -7.358 -4.553 0.170 244 H ASN 75 H ASN 75 -3.808 -6.308 5.426 245 HA ASN 75 HA ASN 75 -6.322 -7.048 6.521 246 HB2 ASN 75 1HB ASN 75 -3.653 -6.536 7.899 247 HB3 ASN 75 2HB ASN 75 -5.058 -7.237 8.685 248 HD21 ASN 75 2HD2 ASN 75 -2.155 -8.145 7.359 249 HD22 ASN 75 1HD2 ASN 75 -2.586 -9.808 7.176 250 H LEU 76 H LEU 76 -4.322 -4.141 7.042 251 HA LEU 76 HA LEU 76 -6.201 -3.122 9.063 252 HB2 LEU 76 1HB LEU 76 -3.882 -1.641 7.787 253 HB3 LEU 76 2HB LEU 76 -4.721 -1.257 9.284 254 HG LEU 76 HG LEU 76 -2.884 -3.632 8.807 255 HD11 LEU 76 1HD1 LEU 76 -2.651 -1.351 10.777 256 HD12 LEU 76 2HD1 LEU 76 -1.773 -1.485 9.239 257 HD13 LEU 76 3HD1 LEU 76 -1.492 -2.671 10.510 258 HD21 LEU 76 3HD2 LEU 76 -3.191 -4.236 11.176 259 HD22 LEU 76 1HD2 LEU 76 -4.632 -4.505 10.205 260 HD23 LEU 76 2HD2 LEU 76 -4.548 -3.087 11.280 261 H ALA 77 H ALA 77 -5.788 -2.778 5.585 262 HA ALA 77 HA ALA 77 -7.948 -0.739 5.468 263 HB1 ALA 77 3HB ALA 77 -6.743 0.287 3.602 264 HB2 ALA 77 1HB ALA 77 -5.753 0.299 5.088 265 HB3 ALA 77 2HB ALA 77 -5.408 -0.860 3.813 266 HA PRO 78 HA PRO 78 -8.913 -4.621 3.074 267 HB2 PRO 78 2HB PRO 78 -11.457 -5.040 4.026 268 HB3 PRO 78 3HB PRO 78 -9.974 -5.578 4.872 269 HG2 PRO 78 2HG PRO 78 -11.561 -3.030 5.354 270 HG3 PRO 78 3HG PRO 78 -10.999 -4.240 6.567 271 HD2 PRO 78 2HD PRO 78 -9.560 -1.988 6.121 272 HD3 PRO 78 3HD PRO 78 -8.763 -3.567 6.369 273 H ASN 79 H ASN 79 -10.024 -1.400 3.050 274 HA ASN 79 HA ASN 79 -12.065 -1.818 0.928 275 HB2 ASN 79 1HB ASN 79 -12.106 -0.134 2.976 276 HB3 ASN 79 2HB ASN 79 -11.164 0.871 1.874 277 HD21 ASN 79 2HD2 ASN 79 -12.308 0.625 -0.546 278 HD22 ASN 79 1HD2 ASN 79 -13.992 1.015 -0.559 279 H LEU 80 H LEU 80 -8.788 -1.946 0.868 280 HA LEU 80 HA LEU 80 -8.463 -0.345 -1.638 281 HB2 LEU 80 1HB LEU 80 -6.618 -1.275 0.540 282 HB3 LEU 80 2HB LEU 80 -5.979 -0.784 -1.000 283 HG LEU 80 HG LEU 80 -7.466 0.940 1.024 284 HD11 LEU 80 1HD1 LEU 80 -5.305 2.048 1.290 285 HD12 LEU 80 2HD1 LEU 80 -4.607 1.103 -0.021 286 HD13 LEU 80 3HD1 LEU 80 -5.042 0.306 1.484 287 HD21 LEU 80 3HD2 LEU 80 -6.884 2.864 -0.508 288 HD22 LEU 80 1HD2 LEU 80 -8.115 1.784 -1.159 289 HD23 LEU 80 2HD2 LEU 80 -6.442 1.689 -1.764 290 H HIS 81 H HIS 81 -7.068 -1.337 -3.311 291 HA HIS 81 HA HIS 81 -7.765 -4.085 -3.764 292 HB2 HIS 81 1HB HIS 81 -7.608 -2.097 -5.452 293 HB3 HIS 81 2HB HIS 81 -5.874 -2.310 -5.321 294 HD2 HIS 81 HD2 HIS 81 -9.020 -3.990 -6.727 295 HE1 HIS 81 HE1 HIS 81 -5.628 -5.837 -8.524 296 HE2 HIS 81 HE2 HIS 81 -8.168 -5.622 -8.598 297 HA PRO 82 HA PRO 82 -3.934 -5.607 -2.088 298 HB2 PRO 82 2HB PRO 82 -3.661 -8.023 -3.363 299 HB3 PRO 82 3HB PRO 82 -4.845 -7.701 -2.074 300 HG2 PRO 82 2HG PRO 82 -5.264 -7.659 -5.071 301 HG3 PRO 82 3HG PRO 82 -6.297 -8.409 -3.815 302 HD2 PRO 82 2HD PRO 82 -6.827 -5.954 -4.893 303 HD3 PRO 82 3HD PRO 82 -7.192 -6.291 -3.186 304 H GLU 83 H GLU 83 -4.205 -5.203 -5.615 305 HA GLU 83 HA GLU 83 -1.369 -5.649 -6.095 306 HB2 GLU 83 1HB GLU 83 -3.587 -5.846 -7.641 307 HB3 GLU 83 2HB GLU 83 -3.153 -4.188 -8.020 308 HG2 GLU 83 1HG GLU 83 -2.135 -5.377 -9.669 309 HG3 GLU 83 2HG GLU 83 -0.788 -5.174 -8.549 310 H GLN 84 H GLN 84 -3.560 -2.825 -5.673 311 HA GLN 84 HA GLN 84 -1.793 -0.730 -6.405 312 HB2 GLN 84 1HB GLN 84 -3.896 -0.944 -4.243 313 HB3 GLN 84 2HB GLN 84 -3.062 0.569 -4.589 314 HG2 GLN 84 1HG GLN 84 -4.108 0.700 -6.773 315 HG3 GLN 84 2HG GLN 84 -4.878 -0.862 -6.528 316 HE21 GLN 84 2HE2 GLN 84 -5.118 2.580 -5.848 317 HE22 GLN 84 1HE2 GLN 84 -6.561 2.508 -4.924 318 H ILE 85 H ILE 85 -2.251 -2.374 -3.261 319 HA ILE 85 HA ILE 85 -0.706 -0.845 -1.628 320 HB ILE 85 HB ILE 85 -1.016 -3.831 -1.583 321 HG12 ILE 85 1HG1 ILE 85 -2.595 -1.849 0.061 322 HG13 ILE 85 2HG1 ILE 85 -3.134 -2.440 -1.493 323 HG21 ILE 85 1HG2 ILE 85 -0.209 -1.873 0.622 324 HG22 ILE 85 2HG2 ILE 85 -0.523 -3.608 0.862 325 HG23 ILE 85 3HG2 ILE 85 0.840 -3.093 -0.113 326 HD11 ILE 85 3HD1 ILE 85 -4.167 -3.961 -0.072 327 HD12 ILE 85 1HD1 ILE 85 -2.699 -4.841 -0.517 328 HD13 ILE 85 2HD1 ILE 85 -2.773 -3.998 1.034 329 H ARG 86 H ARG 86 0.579 -3.636 -3.461 330 HA ARG 86 HA ARG 86 3.178 -3.373 -2.541 331 HB2 ARG 86 1HB ARG 86 2.719 -5.264 -3.816 332 HB3 ARG 86 2HB ARG 86 2.057 -4.362 -5.171 333 HG2 ARG 86 1HG ARG 86 4.968 -3.965 -4.447 334 HG3 ARG 86 2HG ARG 86 4.477 -5.456 -5.266 335 HD2 ARG 86 1HD ARG 86 3.942 -4.431 -7.229 336 HD3 ARG 86 2HD ARG 86 3.351 -2.987 -6.483 337 HE ARG 86 HE ARG 86 5.532 -2.097 -6.249 338 HH11 ARG 86 1HH1 ARG 86 5.647 -5.231 -7.904 339 HH12 ARG 86 2HH1 ARG 86 6.755 -4.722 -9.136 340 HH21 ARG 86 1HH2 ARG 86 7.501 -1.647 -7.603 341 HH22 ARG 86 2HH2 ARG 86 7.703 -2.569 -9.038 342 H TYR 87 H TYR 87 1.722 -1.496 -5.230 343 HA TYR 87 HA TYR 87 4.122 -0.085 -5.864 344 HB2 TYR 87 2HB TYR 87 2.021 -0.299 -7.261 345 HB3 TYR 87 3HB TYR 87 1.236 0.826 -6.188 346 HD1 TYR 87 2HD TYR 87 4.662 0.794 -7.873 347 HD2 TYR 87 1HD TYR 87 0.954 2.884 -7.135 348 HE1 TYR 87 2HE TYR 87 5.450 2.676 -9.257 349 HE2 TYR 87 1HE TYR 87 1.742 4.771 -8.544 350 HH TYR 87 HH TYR 87 3.393 5.560 -9.875 351 H SER 88 H SER 88 1.411 0.614 -3.677 352 HA SER 88 HA SER 88 2.182 3.265 -2.961 353 HB2 SER 88 1HB SER 88 0.786 1.245 -1.167 354 HB3 SER 88 2HB SER 88 0.710 3.006 -1.088 355 HG SER 88 HG SER 88 -0.097 2.679 -3.426 356 H LEU 89 H LEU 89 2.922 0.117 -1.456 357 HA LEU 89 HA LEU 89 4.542 1.066 0.676 358 HB2 LEU 89 1HB LEU 89 4.676 -1.519 -0.925 359 HB3 LEU 89 2HB LEU 89 5.504 -1.233 0.610 360 HG LEU 89 HG LEU 89 2.483 -1.090 0.349 361 HD11 LEU 89 1HD1 LEU 89 4.385 -3.376 0.961 362 HD12 LEU 89 2HD1 LEU 89 3.143 -3.272 -0.294 363 HD13 LEU 89 3HD1 LEU 89 2.658 -3.362 1.409 364 HD21 LEU 89 3HD2 LEU 89 2.642 -1.539 2.784 365 HD22 LEU 89 1HD2 LEU 89 3.180 0.063 2.267 366 HD23 LEU 89 2HD2 LEU 89 4.371 -1.179 2.707 367 H GLU 90 H GLU 90 5.355 0.292 -2.756 368 HA GLU 90 HA GLU 90 8.215 0.514 -2.260 369 HB2 GLU 90 1HB GLU 90 6.525 0.537 -4.795 370 HB3 GLU 90 2HB GLU 90 8.237 0.895 -4.794 371 HG2 GLU 90 1HG GLU 90 8.235 -1.444 -3.345 372 HG3 GLU 90 2HG GLU 90 6.835 -1.721 -4.370 373 H ASN 91 H ASN 91 5.675 2.772 -3.137 374 HA ASN 91 HA ASN 91 7.482 4.962 -3.761 375 HB2 ASN 91 1HB ASN 91 4.479 4.779 -3.416 376 HB3 ASN 91 2HB ASN 91 5.296 6.341 -3.503 377 HD21 ASN 91 2HD2 ASN 91 4.727 3.328 -5.332 378 HD22 ASN 91 1HD2 ASN 91 5.145 3.998 -6.890 379 H THR 92 H THR 92 5.465 4.184 -0.893 380 HA THR 92 HA THR 92 6.334 6.534 0.574 381 HB THR 92 HB THR 92 5.018 5.409 2.367 382 HG1 THR 92 1HG THR 92 4.307 3.370 0.599 383 HG21 THR 92 3HG2 THR 92 2.821 5.154 1.230 384 HG22 THR 92 1HG2 THR 92 3.597 5.247 -0.348 385 HG23 THR 92 2HG2 THR 92 3.649 6.651 0.744 386 H GLY 93 H GLY 93 7.081 3.039 0.570 387 HA2 GLY 93 1HA GLY 93 9.143 2.066 1.002 388 HA3 GLY 93 2HA GLY 93 9.625 3.432 2.018 389 H SER 94 H SER 94 6.598 3.079 3.256 390 HA SER 94 HA SER 94 7.126 0.670 4.888 391 HB2 SER 94 1HB SER 94 6.666 3.462 5.975 392 HB3 SER 94 2HB SER 94 6.833 1.954 6.903 393 HG SER 94 HG SER 94 8.798 3.047 6.853 394 H VAL 95 H VAL 95 5.491 -0.151 5.876 395 HA VAL 95 HA VAL 95 2.865 -0.088 4.696 396 HB VAL 95 HB VAL 95 3.985 -1.271 7.280 397 HG11 VAL 95 1HG1 VAL 95 1.313 -2.061 6.112 398 HG12 VAL 95 2HG1 VAL 95 2.110 -2.567 7.606 399 HG13 VAL 95 3HG1 VAL 95 1.489 -0.942 7.481 400 HG21 VAL 95 3HG2 VAL 95 3.228 -2.648 4.695 401 HG22 VAL 95 1HG2 VAL 95 4.887 -2.264 5.195 402 HG23 VAL 95 2HG2 VAL 95 3.917 -3.390 6.154 403 H GLU 96 H GLU 96 4.199 0.971 7.849 404 HA GLU 96 HA GLU 96 1.944 2.031 9.002 405 HB2 GLU 96 1HB GLU 96 3.424 2.963 10.553 406 HB3 GLU 96 2HB GLU 96 4.265 1.547 9.882 407 HG2 GLU 96 1HG GLU 96 5.579 3.036 8.409 408 HG3 GLU 96 2HG GLU 96 4.827 4.439 9.159 409 H GLU 97 H GLU 97 4.224 3.732 6.813 410 HA GLU 97 HA GLU 97 2.843 6.188 6.811 411 HB2 GLU 97 1HB GLU 97 5.229 5.643 5.976 412 HB3 GLU 97 2HB GLU 97 4.481 5.026 4.499 413 HG2 GLU 97 1HG GLU 97 5.192 7.326 4.150 414 HG3 GLU 97 2HG GLU 97 3.433 7.255 4.103 415 H THR 98 H THR 98 2.613 3.381 4.624 416 HA THR 98 HA THR 98 0.727 4.410 2.799 417 HB THR 98 HB THR 98 1.256 1.540 3.649 418 HG1 THR 98 1HG THR 98 3.127 2.521 2.856 419 HG21 THR 98 3HG2 THR 98 0.067 2.668 1.085 420 HG22 THR 98 1HG2 THR 98 -0.797 1.704 2.292 421 HG23 THR 98 2HG2 THR 98 0.526 0.973 1.361 422 H VAL 99 H VAL 99 0.274 2.850 5.908 423 HA VAL 99 HA VAL 99 -2.633 2.680 5.658 424 HB VAL 99 HB VAL 99 -0.785 2.227 8.027 425 HG11 VAL 99 1HG1 VAL 99 -2.994 2.772 8.914 426 HG12 VAL 99 2HG1 VAL 99 -3.782 1.717 7.719 427 HG13 VAL 99 3HG1 VAL 99 -2.773 1.018 9.002 428 HG21 VAL 99 3HG2 VAL 99 -0.635 0.592 6.075 429 HG22 VAL 99 1HG2 VAL 99 -1.154 -0.127 7.585 430 HG23 VAL 99 2HG2 VAL 99 -2.348 0.230 6.320 431 H GLU 100 H GLU 100 -0.296 4.931 7.162 432 HA GLU 100 HA GLU 100 -2.183 6.540 8.562 433 HB2 GLU 100 1HB GLU 100 0.692 6.770 7.668 434 HB3 GLU 100 2HB GLU 100 -0.121 8.235 8.188 435 HG2 GLU 100 1HG GLU 100 -0.142 5.669 9.850 436 HG3 GLU 100 2HG GLU 100 1.094 6.902 10.028 437 H ARG 101 H ARG 101 -1.004 6.591 5.270 438 HA ARG 101 HA ARG 101 -2.420 9.121 4.683 439 HB2 ARG 101 1HB ARG 101 -1.594 8.830 2.434 440 HB3 ARG 101 2HB ARG 101 -0.324 8.693 3.641 441 HG2 ARG 101 1HG ARG 101 -0.705 6.137 3.439 442 HG3 ARG 101 2HG ARG 101 -1.551 6.502 1.970 443 HD2 ARG 101 1HD ARG 101 1.334 6.896 2.729 444 HD3 ARG 101 2HD ARG 101 0.724 6.018 1.350 445 HE ARG 101 HE ARG 101 1.024 8.862 1.881 446 HH11 ARG 101 1HH1 ARG 101 -0.778 6.858 -0.365 447 HH12 ARG 101 2HH1 ARG 101 -1.081 8.142 -1.487 448 HH21 ARG 101 1HH2 ARG 101 1.246 10.327 0.125 449 HH22 ARG 101 2HH2 ARG 101 0.237 10.145 -1.279 450 H TYR 102 H TYR 102 -2.884 5.650 4.237 451 HA TYR 102 HA TYR 102 -5.235 5.743 2.625 452 HB2 TYR 102 2HB TYR 102 -4.452 3.621 2.890 453 HB3 TYR 102 3HB TYR 102 -4.143 3.774 4.609 454 HD1 TYR 102 1HD TYR 102 -6.918 3.696 2.104 455 HD2 TYR 102 2HD TYR 102 -5.658 2.951 6.148 456 HE1 TYR 102 1HE TYR 102 -9.157 2.782 2.605 457 HE2 TYR 102 2HE TYR 102 -7.846 1.921 6.665 458 HH TYR 102 HH TYR 102 -10.560 2.308 4.332 459 H LEU 103 H LEU 103 -5.092 5.574 6.218 460 HA LEU 103 HA LEU 103 -7.858 5.953 6.609 461 HB2 LEU 103 1HB LEU 103 -7.329 6.470 8.928 462 HB3 LEU 103 2HB LEU 103 -6.480 5.063 8.314 463 HG LEU 103 HG LEU 103 -4.490 6.734 7.924 464 HD11 LEU 103 1HD1 LEU 103 -4.328 8.493 9.681 465 HD12 LEU 103 2HD1 LEU 103 -6.041 8.240 10.070 466 HD13 LEU 103 3HD1 LEU 103 -5.546 8.890 8.490 467 HD21 LEU 103 3HD2 LEU 103 -4.480 4.841 9.458 468 HD22 LEU 103 1HD2 LEU 103 -5.339 5.802 10.685 469 HD23 LEU 103 2HD2 LEU 103 -3.688 6.233 10.205 470 H ARG 104 H ARG 104 -5.529 8.298 5.667 471 HA ARG 104 HA ARG 104 -7.199 10.562 6.572 472 HB2 ARG 104 1HB ARG 104 -5.392 11.838 6.453 473 HB3 ARG 104 2HB ARG 104 -4.554 10.330 6.570 474 HG2 ARG 104 1HG ARG 104 -3.425 11.053 4.758 475 HG3 ARG 104 2HG ARG 104 -4.815 10.555 3.829 476 HD2 ARG 104 1HD ARG 104 -5.037 12.596 3.107 477 HD3 ARG 104 2HD ARG 104 -5.548 13.055 4.737 478 HE ARG 104 HE ARG 104 -2.680 13.013 4.480 479 HH11 ARG 104 1HH1 ARG 104 -5.583 14.901 3.659 480 HH12 ARG 104 2HH1 ARG 104 -4.709 16.391 3.423 481 HH21 ARG 104 1HH2 ARG 104 -1.580 15.071 4.348 482 HH22 ARG 104 2HH2 ARG 104 -2.472 16.508 3.867 483 H GLY 105 H GLY 105 -7.034 8.459 3.857 484 HA2 GLY 105 1HA GLY 105 -8.608 8.493 2.148 485 HA3 GLY 105 2HA GLY 105 -8.955 10.198 2.454 486 H ASP 106 H ASP 106 -5.607 9.262 2.168 487 HA ASP 106 HA ASP 106 -5.093 11.099 0.067 488 HB2 ASP 106 1HB ASP 106 -3.614 9.953 1.950 489 HB3 ASP 106 2HB ASP 106 -3.252 8.787 0.675 490 H GLU 107 H GLU 107 -3.765 10.231 -2.026 491 HA GLU 107 HA GLU 107 -5.548 8.427 -3.482 492 HB2 GLU 107 1HB GLU 107 -3.505 10.519 -4.087 493 HB3 GLU 107 2HB GLU 107 -3.564 9.179 -5.223 494 HG2 GLU 107 1HG GLU 107 -6.015 10.757 -4.313 495 HG3 GLU 107 2HG GLU 107 -5.092 11.097 -5.772 496 H PHE 108 H PHE 108 -5.181 6.618 -4.371 497 HA PHE 108 HA PHE 108 -2.704 5.116 -3.724 498 HB2 PHE 108 2HB PHE 108 -5.602 4.289 -3.365 499 HB3 PHE 108 3HB PHE 108 -4.268 3.139 -3.500 500 HD1 PHE 108 2HD PHE 108 -5.314 6.135 -1.496 501 HD2 PHE 108 1HD PHE 108 -3.080 2.488 -1.634 502 HE1 PHE 108 2HE PHE 108 -4.424 6.623 0.766 503 HE2 PHE 108 1HE PHE 108 -2.438 2.816 0.776 504 HZ PHE 108 HZ PHE 108 -2.980 4.909 1.883 505 H SER 109 H SER 109 -1.776 4.895 -5.562 506 HA SER 109 HA SER 109 -3.290 4.536 -8.072 507 HB2 SER 109 1HB SER 109 -0.283 4.650 -7.655 508 HB3 SER 109 2HB SER 109 -1.142 4.979 -9.154 509 HG SER 109 HG SER 109 -1.868 6.878 -8.324 510 H PHE 110 H PHE 110 -2.158 2.939 -9.687 511 HA PHE 110 HA PHE 110 -1.872 0.300 -8.344 512 HB2 PHE 110 2HB PHE 110 -2.894 1.160 -11.059 513 HB3 PHE 110 3HB PHE 110 -2.402 -0.486 -10.751 514 HD1 PHE 110 1HD PHE 110 -4.829 2.139 -9.618 515 HD2 PHE 110 2HD PHE 110 -3.798 -2.050 -9.625 516 HE1 PHE 110 1HE PHE 110 -7.070 1.584 -8.719 517 HE2 PHE 110 2HE PHE 110 -6.049 -2.595 -8.760 518 HZ PHE 110 HZ PHE 110 -7.691 -0.795 -8.292 519 HA PRO 111 HA PRO 111 2.307 0.145 -9.595 520 HB2 PRO 111 2HB PRO 111 2.730 -2.517 -10.316 521 HB3 PRO 111 3HB PRO 111 2.583 -1.929 -8.641 522 HG2 PRO 111 2HG PRO 111 0.471 -3.192 -10.392 523 HG3 PRO 111 3HG PRO 111 0.810 -3.480 -8.651 524 HD2 PRO 111 2HD PRO 111 -1.211 -1.873 -9.544 525 HD3 PRO 111 3HD PRO 111 -0.355 -1.522 -8.031 526 HA PRO 112 HA PRO 112 2.803 0.605 -13.952 527 HB2 PRO 112 2HB PRO 112 5.480 0.109 -14.352 528 HB3 PRO 112 3HB PRO 112 4.865 1.584 -13.555 529 HG2 PRO 112 2HG PRO 112 5.972 -0.912 -12.270 530 HG3 PRO 112 3HG PRO 112 6.284 0.796 -11.842 531 HD2 PRO 112 2HD PRO 112 4.485 -0.774 -10.491 532 HD3 PRO 112 3HD PRO 112 4.247 0.986 -10.717 533 H GLY 113 H GLY 113 1.867 -0.885 -15.251 534 HA2 GLY 113 1HA GLY 113 2.408 -2.855 -16.663 535 HA3 GLY 113 2HA GLY 113 2.766 -3.719 -15.172 536 H PHE 114 H PHE 114 0.416 -2.053 -13.903 537 HA PHE 114 HA PHE 114 -1.556 -4.081 -14.124 538 HB2 PHE 114 2HB PHE 114 -1.203 -2.624 -12.167 539 HB3 PHE 114 3HB PHE 114 -1.748 -1.226 -13.080 540 HD1 PHE 114 2HD PHE 114 -2.808 -4.432 -11.547 541 HD2 PHE 114 1HD PHE 114 -4.103 -0.844 -13.538 542 HE1 PHE 114 2HE PHE 114 -5.146 -4.895 -10.837 543 HE2 PHE 114 1HE PHE 114 -6.448 -1.312 -12.842 544 HZ PHE 114 HZ PHE 114 -6.959 -3.311 -11.456 545 H GLU 115 H GLU 115 -0.984 -1.205 -15.956 546 HA GLU 115 HA GLU 115 -3.632 -1.373 -17.332 547 HB2 GLU 115 1HB GLU 115 -1.582 0.845 -17.669 548 HB3 GLU 115 2HB GLU 115 -3.221 0.748 -18.292 549 HG2 GLU 115 1HG GLU 115 -3.751 0.522 -15.630 550 HG3 GLU 115 2HG GLU 115 -2.238 1.434 -15.549 Start of MODEL 13 1 H1 GLY 41 H GLY 41 17.290 -10.780 -31.230 2 HA2 GLY 41 1HA GLY 41 18.319 -8.619 -31.737 3 HA3 GLY 41 2HA GLY 41 18.305 -8.291 -29.992 4 H ALA 42 H ALA 42 20.542 -8.074 -29.751 5 HA ALA 42 HA ALA 42 22.374 -10.107 -30.742 6 HB1 ALA 42 3HB ALA 42 24.043 -8.756 -29.495 7 HB2 ALA 42 1HB ALA 42 23.002 -7.697 -30.462 8 HB3 ALA 42 2HB ALA 42 22.738 -7.845 -28.711 9 H MET 43 H MET 43 23.902 -11.120 -29.050 10 HA MET 43 HA MET 43 22.487 -11.957 -26.567 11 HB2 MET 43 1HB MET 43 23.208 -14.244 -26.874 12 HB3 MET 43 2HB MET 43 22.172 -13.726 -28.203 13 HG2 MET 43 1HG MET 43 24.090 -13.491 -29.687 14 HG3 MET 43 2HG MET 43 25.211 -13.760 -28.348 15 HE1 MET 43 3HE MET 43 21.865 -15.850 -29.219 16 HE2 MET 43 1HE MET 43 22.588 -15.382 -30.778 17 HE3 MET 43 2HE MET 43 22.594 -17.083 -30.262 18 H GLY 44 H GLY 44 25.183 -10.466 -27.849 19 HA2 GLY 44 1HA GLY 44 27.215 -11.519 -26.060 20 HA3 GLY 44 2HA GLY 44 27.343 -10.140 -27.170 21 HA PRO 45 HA PRO 45 26.997 -8.697 -22.715 22 HB2 PRO 45 2HB PRO 45 29.253 -7.114 -22.642 23 HB3 PRO 45 3HB PRO 45 29.257 -8.873 -22.315 24 HG2 PRO 45 2HG PRO 45 29.896 -7.479 -24.929 25 HG3 PRO 45 3HG PRO 45 30.853 -8.740 -24.083 26 HD2 PRO 45 2HD PRO 45 29.161 -9.376 -26.099 27 HD3 PRO 45 3HD PRO 45 29.293 -10.434 -24.660 28 H GLN 46 H GLN 46 26.775 -6.485 -21.950 29 HA GLN 46 HA GLN 46 25.975 -4.505 -24.019 30 HB2 GLN 46 1HB GLN 46 24.079 -3.916 -22.534 31 HB3 GLN 46 2HB GLN 46 23.953 -5.534 -23.192 32 HG2 GLN 46 1HG GLN 46 25.031 -4.985 -20.384 33 HG3 GLN 46 2HG GLN 46 23.324 -5.207 -20.727 34 HE21 GLN 46 2HE2 GLN 46 26.143 -6.949 -19.780 35 HE22 GLN 46 1HE2 GLN 46 25.536 -8.525 -20.273 36 H GLY 47 H GLY 47 25.712 -2.283 -22.972 37 HA2 GLY 47 1HA GLY 47 27.686 -1.749 -20.793 38 HA3 GLY 47 2HA GLY 47 27.794 -0.899 -22.349 39 H SER 48 H SER 48 26.970 1.111 -22.085 40 HA SER 48 HA SER 48 24.933 1.737 -20.107 41 HB2 SER 48 1HB SER 48 27.010 3.123 -21.361 42 HB3 SER 48 2HB SER 48 25.587 3.820 -22.124 43 HG SER 48 HG SER 48 24.730 4.220 -20.072 44 H THR 49 H THR 49 23.128 0.490 -20.741 45 HA THR 49 HA THR 49 22.054 0.546 -23.430 46 HB THR 49 HB THR 49 20.163 -0.669 -22.410 47 HG1 THR 49 1HG THR 49 21.617 -0.496 -19.959 48 HG21 THR 49 3HG2 THR 49 22.861 -1.789 -21.521 49 HG22 THR 49 1HG2 THR 49 22.182 -1.903 -23.158 50 HG23 THR 49 2HG2 THR 49 21.367 -2.700 -21.798 51 H GLN 50 H GLN 50 21.113 2.364 -24.263 52 HA GLN 50 HA GLN 50 19.380 4.006 -22.483 53 HB2 GLN 50 1HB GLN 50 20.291 6.054 -23.421 54 HB3 GLN 50 2HB GLN 50 21.480 5.122 -22.524 55 HG2 GLN 50 1HG GLN 50 22.088 4.199 -24.990 56 HG3 GLN 50 2HG GLN 50 21.359 5.730 -25.457 57 HE21 GLN 50 2HE2 GLN 50 24.026 4.167 -23.777 58 HE22 GLN 50 1HE2 GLN 50 25.074 5.579 -23.733 59 H ASN 51 H ASN 51 17.765 5.239 -23.697 60 HA ASN 51 HA ASN 51 17.261 4.586 -26.457 61 HB2 ASN 51 1HB ASN 51 15.250 3.340 -26.240 62 HB3 ASN 51 2HB ASN 51 16.436 2.488 -25.278 63 HD21 ASN 51 2HD2 ASN 51 16.352 2.867 -22.816 64 HD22 ASN 51 1HD2 ASN 51 14.821 3.301 -22.127 65 H ALA 52 H ALA 52 15.264 5.627 -27.219 66 HA ALA 52 HA ALA 52 15.089 8.322 -26.354 67 HB1 ALA 52 3HB ALA 52 13.312 6.643 -28.182 68 HB2 ALA 52 1HB ALA 52 13.231 8.401 -28.021 69 HB3 ALA 52 2HB ALA 52 14.701 7.642 -28.669 70 H LEU 53 H LEU 53 14.336 8.706 -24.251 71 HA LEU 53 HA LEU 53 11.526 8.164 -23.781 72 HB2 LEU 53 1HB LEU 53 13.213 6.238 -22.814 73 HB3 LEU 53 2HB LEU 53 13.354 7.412 -21.514 74 HG LEU 53 HG LEU 53 10.779 7.385 -21.380 75 HD11 LEU 53 1HD1 LEU 53 11.168 5.000 -23.246 76 HD12 LEU 53 2HD1 LEU 53 10.228 6.456 -23.585 77 HD13 LEU 53 3HD1 LEU 53 9.683 5.341 -22.337 78 HD21 LEU 53 3HD2 LEU 53 12.134 6.167 -19.754 79 HD22 LEU 53 1HD2 LEU 53 12.258 4.783 -20.850 80 HD23 LEU 53 2HD2 LEU 53 10.684 5.231 -20.163 81 H ARG 54 H ARG 54 10.944 9.216 -21.533 82 HA ARG 54 HA ARG 54 11.975 11.926 -21.674 83 HB2 ARG 54 1HB ARG 54 9.549 11.254 -21.448 84 HB3 ARG 54 2HB ARG 54 9.897 10.840 -19.757 85 HG2 ARG 54 1HG ARG 54 10.703 13.187 -19.393 86 HG3 ARG 54 2HG ARG 54 10.359 13.571 -21.075 87 HD2 ARG 54 1HD ARG 54 8.276 12.580 -19.092 88 HD3 ARG 54 2HD ARG 54 8.627 14.292 -19.408 89 HE ARG 54 HE ARG 54 7.973 12.656 -21.770 90 HH11 ARG 54 1HH1 ARG 54 6.624 14.895 -19.326 91 HH12 ARG 54 2HH1 ARG 54 5.182 15.156 -20.255 92 HH21 ARG 54 1HH2 ARG 54 6.276 13.268 -23.037 93 HH22 ARG 54 2HH2 ARG 54 5.024 14.310 -22.448 94 H ARG 55 H ARG 55 12.354 9.168 -19.429 95 HA ARG 55 HA ARG 55 13.494 10.848 -17.338 96 HB2 ARG 55 1HB ARG 55 13.470 7.812 -17.700 97 HB3 ARG 55 2HB ARG 55 14.261 8.631 -16.367 98 HG2 ARG 55 1HG ARG 55 12.236 8.035 -15.425 99 HG3 ARG 55 2HG ARG 55 11.969 9.723 -15.868 100 HD2 ARG 55 1HD ARG 55 10.868 8.866 -18.007 101 HD3 ARG 55 2HD ARG 55 11.034 7.228 -17.352 102 HE ARG 55 HE ARG 55 9.663 8.879 -15.466 103 HH11 ARG 55 1HH1 ARG 55 9.194 7.326 -18.619 104 HH12 ARG 55 2HH1 ARG 55 7.474 7.340 -18.549 105 HH21 ARG 55 1HH2 ARG 55 7.295 8.870 -15.346 106 HH22 ARG 55 2HH2 ARG 55 6.421 8.224 -16.697 107 H THR 56 H THR 56 15.771 10.841 -16.732 108 HA THR 56 HA THR 56 17.674 10.013 -18.855 109 HB THR 56 HB THR 56 18.707 12.315 -18.640 110 HG1 THR 56 1HG THR 56 17.633 13.876 -17.632 111 HG21 THR 56 3HG2 THR 56 17.292 11.736 -20.598 112 HG22 THR 56 1HG2 THR 56 17.242 13.454 -20.163 113 HG23 THR 56 2HG2 THR 56 15.882 12.396 -19.747 114 H GLY 57 H GLY 57 16.964 9.254 -15.949 115 HA2 GLY 57 1HA GLY 57 19.717 9.442 -14.775 116 HA3 GLY 57 2HA GLY 57 18.242 9.592 -13.786 117 H ARG 58 H ARG 58 16.631 7.805 -13.913 118 HA ARG 58 HA ARG 58 17.544 5.282 -14.904 119 HB2 ARG 58 1HB ARG 58 17.393 4.107 -12.704 120 HB3 ARG 58 2HB ARG 58 18.767 5.171 -12.864 121 HG2 ARG 58 1HG ARG 58 17.919 5.303 -10.656 122 HG3 ARG 58 2HG ARG 58 17.666 6.861 -11.435 123 HD2 ARG 58 1HD ARG 58 15.374 6.642 -11.488 124 HD3 ARG 58 2HD ARG 58 15.419 4.877 -11.548 125 HE ARG 58 HE ARG 58 16.179 4.921 -9.150 126 HH11 ARG 58 1HH1 ARG 58 14.219 7.687 -10.317 127 HH12 ARG 58 2HH1 ARG 58 13.336 7.760 -8.818 128 HH21 ARG 58 1HH2 ARG 58 15.018 5.100 -7.269 129 HH22 ARG 58 2HH2 ARG 58 13.777 6.333 -7.095 130 H VAL 59 H VAL 59 15.845 3.611 -14.505 131 HA VAL 59 HA VAL 59 13.103 4.734 -14.215 132 HB VAL 59 HB VAL 59 14.179 2.968 -16.450 133 HG11 VAL 59 1HG1 VAL 59 12.079 1.964 -15.709 134 HG12 VAL 59 2HG1 VAL 59 11.282 3.553 -15.689 135 HG13 VAL 59 3HG1 VAL 59 11.806 2.821 -17.227 136 HG21 VAL 59 3HG2 VAL 59 13.175 4.700 -17.898 137 HG22 VAL 59 1HG2 VAL 59 12.641 5.606 -16.458 138 HG23 VAL 59 2HG2 VAL 59 14.369 5.416 -16.815 139 H ASN 60 H ASN 60 12.770 3.942 -12.264 140 HA ASN 60 HA ASN 60 12.782 1.053 -11.752 141 HB2 ASN 60 1HB ASN 60 14.444 3.094 -10.237 142 HB3 ASN 60 2HB ASN 60 13.669 1.790 -9.376 143 HD21 ASN 60 2HD2 ASN 60 15.250 1.397 -12.616 144 HD22 ASN 60 1HD2 ASN 60 16.434 0.286 -11.991 145 H GLY 61 H GLY 61 11.784 1.150 -9.156 146 HA2 GLY 61 1HA GLY 61 9.170 2.523 -9.509 147 HA3 GLY 61 2HA GLY 61 9.525 1.169 -8.434 148 H GLY 62 H GLY 62 10.692 1.569 -6.418 149 HA2 GLY 62 1HA GLY 62 11.327 4.298 -5.670 150 HA3 GLY 62 2HA GLY 62 9.874 3.676 -4.875 151 H HIS 63 H HIS 63 10.110 2.219 -3.218 152 HA HIS 63 HA HIS 63 12.824 1.529 -2.255 153 HB2 HIS 63 1HB HIS 63 10.079 1.848 -0.951 154 HB3 HIS 63 2HB HIS 63 11.460 1.213 -0.088 155 HD1 HIS 63 HD1 HIS 63 13.164 2.945 0.882 156 HD2 HIS 63 HD2 HIS 63 10.351 4.498 -1.851 157 HE1 HIS 63 HE1 HIS 63 13.547 5.489 0.758 158 HA PRO 64 HA PRO 64 11.911 -2.804 -2.840 159 HB2 PRO 64 2HB PRO 64 13.286 -3.992 -0.779 160 HB3 PRO 64 3HB PRO 64 14.120 -3.180 -2.132 161 HG2 PRO 64 2HG PRO 64 13.529 -2.122 0.638 162 HG3 PRO 64 3HG PRO 64 15.051 -2.008 -0.300 163 HD2 PRO 64 2HD PRO 64 13.234 0.031 -0.189 164 HD3 PRO 64 3HD PRO 64 14.202 -0.317 -1.654 165 H VAL 65 H VAL 65 10.136 -4.064 -2.287 166 HA VAL 65 HA VAL 65 9.087 -4.014 0.496 167 HB VAL 65 HB VAL 65 6.892 -3.604 -0.061 168 HG11 VAL 65 1HG1 VAL 65 8.235 -1.562 0.045 169 HG12 VAL 65 2HG1 VAL 65 8.517 -1.632 -1.714 170 HG13 VAL 65 3HG1 VAL 65 6.894 -1.423 -1.093 171 HG21 VAL 65 3HG2 VAL 65 6.469 -4.842 -2.035 172 HG22 VAL 65 1HG2 VAL 65 6.039 -3.173 -2.368 173 HG23 VAL 65 2HG2 VAL 65 7.569 -3.808 -3.012 174 H THR 66 H THR 66 7.860 -5.878 1.134 175 HA THR 66 HA THR 66 8.146 -8.190 -0.667 176 HB THR 66 HB THR 66 8.334 -9.272 1.777 177 HG1 THR 66 1HG THR 66 9.804 -6.877 2.114 178 HG21 THR 66 3HG2 THR 66 10.887 -9.080 1.483 179 HG22 THR 66 1HG2 THR 66 10.566 -8.027 0.106 180 HG23 THR 66 2HG2 THR 66 9.997 -9.708 0.092 181 H THR 67 H THR 67 6.690 -9.930 -0.126 182 HA THR 67 HA THR 67 4.044 -9.453 -0.274 183 HB THR 67 HB THR 67 5.413 -11.731 1.216 184 HG1 THR 67 1HG THR 67 6.333 -12.162 -0.544 185 HG21 THR 67 3HG2 THR 67 3.616 -13.150 0.233 186 HG22 THR 67 1HG2 THR 67 2.889 -11.715 -0.519 187 HG23 THR 67 2HG2 THR 67 2.913 -11.882 1.246 188 H GLN 68 H GLN 68 5.786 -10.050 2.832 189 HA GLN 68 HA GLN 68 3.575 -9.988 4.521 190 HB2 GLN 68 1HB GLN 68 5.204 -9.578 6.317 191 HB3 GLN 68 2HB GLN 68 5.761 -10.785 5.176 192 HG2 GLN 68 1HG GLN 68 6.881 -8.444 4.126 193 HG3 GLN 68 2HG GLN 68 6.910 -8.124 5.843 194 HE21 GLN 68 2HE2 GLN 68 9.033 -8.862 3.717 195 HE22 GLN 68 1HE2 GLN 68 9.826 -10.309 4.273 196 H MET 69 H MET 69 5.370 -7.184 3.159 197 HA MET 69 HA MET 69 4.165 -5.313 4.999 198 HB2 MET 69 1HB MET 69 5.399 -5.012 2.230 199 HB3 MET 69 2HB MET 69 4.953 -3.655 3.278 200 HG2 MET 69 1HG MET 69 6.561 -4.351 4.952 201 HG3 MET 69 2HG MET 69 6.883 -5.860 4.095 202 HE1 MET 69 3HE MET 69 6.621 -2.246 2.368 203 HE2 MET 69 1HE MET 69 7.314 -1.933 3.969 204 HE3 MET 69 2HE MET 69 8.312 -1.726 2.523 205 H VAL 70 H VAL 70 3.298 -6.637 1.811 206 HA VAL 70 HA VAL 70 1.102 -5.002 1.221 207 HB VAL 70 HB VAL 70 1.364 -7.914 0.391 208 HG11 VAL 70 1HG1 VAL 70 0.117 -5.565 -1.042 209 HG12 VAL 70 2HG1 VAL 70 0.161 -7.263 -1.577 210 HG13 VAL 70 3HG1 VAL 70 -0.754 -6.823 -0.134 211 HG21 VAL 70 3HG2 VAL 70 2.742 -5.525 -0.864 212 HG22 VAL 70 1HG2 VAL 70 3.515 -6.924 -0.088 213 HG23 VAL 70 2HG2 VAL 70 2.613 -7.151 -1.580 214 H GLU 71 H GLU 71 1.095 -8.283 2.694 215 HA GLU 71 HA GLU 71 -1.693 -8.299 3.170 216 HB2 GLU 71 1HB GLU 71 -1.141 -10.052 4.959 217 HB3 GLU 71 2HB GLU 71 -0.716 -10.396 3.272 218 HG2 GLU 71 1HG GLU 71 1.518 -10.022 3.599 219 HG3 GLU 71 2HG GLU 71 1.292 -9.237 5.142 220 H THR 72 H THR 72 0.992 -7.097 5.307 221 HA THR 72 HA THR 72 -0.688 -6.593 7.519 222 HB THR 72 HB THR 72 1.700 -4.952 6.624 223 HG1 THR 72 1HG THR 72 2.820 -6.409 7.928 224 HG21 THR 72 3HG2 THR 72 0.377 -5.404 9.340 225 HG22 THR 72 1HG2 THR 72 0.395 -3.868 8.439 226 HG23 THR 72 2HG2 THR 72 1.911 -4.504 9.077 227 H VAL 73 H VAL 73 0.206 -4.129 4.977 228 HA VAL 73 HA VAL 73 -1.642 -2.183 5.782 229 HB VAL 73 HB VAL 73 -0.814 -2.982 2.970 230 HG11 VAL 73 1HG1 VAL 73 -2.870 -1.687 2.739 231 HG12 VAL 73 2HG1 VAL 73 -2.301 -0.519 3.933 232 HG13 VAL 73 3HG1 VAL 73 -1.528 -0.618 2.335 233 HG21 VAL 73 3HG2 VAL 73 1.062 -2.228 4.255 234 HG22 VAL 73 1HG2 VAL 73 0.617 -0.984 3.073 235 HG23 VAL 73 2HG2 VAL 73 0.186 -0.762 4.772 236 H GLN 74 H GLN 74 -2.196 -4.888 3.503 237 HA GLN 74 HA GLN 74 -4.846 -4.326 2.822 238 HB2 GLN 74 1HB GLN 74 -3.409 -6.143 1.822 239 HB3 GLN 74 2HB GLN 74 -3.693 -7.107 3.269 240 HG2 GLN 74 1HG GLN 74 -5.245 -7.954 1.777 241 HG3 GLN 74 2HG GLN 74 -6.211 -6.890 2.777 242 HE21 GLN 74 2HE2 GLN 74 -6.710 -4.583 1.784 243 HE22 GLN 74 1HE2 GLN 74 -6.876 -4.584 0.049 244 H ASN 75 H ASN 75 -3.754 -6.256 5.657 245 HA ASN 75 HA ASN 75 -6.359 -6.925 6.609 246 HB2 ASN 75 1HB ASN 75 -3.725 -6.537 8.108 247 HB3 ASN 75 2HB ASN 75 -5.219 -7.033 8.891 248 HD21 ASN 75 2HD2 ASN 75 -2.622 -8.107 6.774 249 HD22 ASN 75 1HD2 ASN 75 -3.042 -9.763 6.770 250 H LEU 76 H LEU 76 -4.237 -4.114 7.239 251 HA LEU 76 HA LEU 76 -6.184 -2.881 9.038 252 HB2 LEU 76 1HB LEU 76 -3.790 -1.511 7.798 253 HB3 LEU 76 2HB LEU 76 -4.678 -1.092 9.259 254 HG LEU 76 HG LEU 76 -2.604 -3.231 8.845 255 HD11 LEU 76 1HD1 LEU 76 -1.702 -2.311 10.929 256 HD12 LEU 76 2HD1 LEU 76 -3.059 -1.173 11.027 257 HD13 LEU 76 3HD1 LEU 76 -1.886 -1.072 9.695 258 HD21 LEU 76 3HD2 LEU 76 -4.556 -3.298 11.166 259 HD22 LEU 76 1HD2 LEU 76 -3.047 -4.213 11.055 260 HD23 LEU 76 2HD2 LEU 76 -4.337 -4.573 9.936 261 H ALA 77 H ALA 77 -5.847 -2.919 5.618 262 HA ALA 77 HA ALA 77 -7.851 -0.755 5.295 263 HB1 ALA 77 3HB ALA 77 -5.578 0.159 4.873 264 HB2 ALA 77 1HB ALA 77 -5.317 -1.084 3.639 265 HB3 ALA 77 2HB ALA 77 -6.586 0.137 3.412 266 HA PRO 78 HA PRO 78 -8.849 -4.713 3.000 267 HB2 PRO 78 2HB PRO 78 -11.414 -5.100 3.910 268 HB3 PRO 78 3HB PRO 78 -9.943 -5.665 4.764 269 HG2 PRO 78 2HG PRO 78 -11.526 -3.140 5.257 270 HG3 PRO 78 3HG PRO 78 -10.960 -4.343 6.463 271 HD2 PRO 78 2HD PRO 78 -9.595 -2.040 5.971 272 HD3 PRO 78 3HD PRO 78 -8.738 -3.572 6.314 273 H ASN 79 H ASN 79 -9.753 -1.520 2.889 274 HA ASN 79 HA ASN 79 -11.861 -1.672 0.796 275 HB2 ASN 79 1HB ASN 79 -12.038 0.079 2.518 276 HB3 ASN 79 2HB ASN 79 -10.394 0.610 2.174 277 HD21 ASN 79 2HD2 ASN 79 -13.451 0.017 0.251 278 HD22 ASN 79 1HD2 ASN 79 -13.236 1.457 -0.712 279 H LEU 80 H LEU 80 -8.419 -1.837 0.969 280 HA LEU 80 HA LEU 80 -8.060 -0.549 -1.679 281 HB2 LEU 80 1HB LEU 80 -6.128 -1.523 0.457 282 HB3 LEU 80 2HB LEU 80 -5.619 -0.876 -1.094 283 HG LEU 80 HG LEU 80 -7.236 0.632 1.013 284 HD11 LEU 80 1HD1 LEU 80 -4.384 1.092 0.113 285 HD12 LEU 80 2HD1 LEU 80 -4.817 0.147 1.544 286 HD13 LEU 80 3HD1 LEU 80 -5.246 1.874 1.436 287 HD21 LEU 80 3HD2 LEU 80 -6.705 2.663 -0.401 288 HD22 LEU 80 1HD2 LEU 80 -7.866 1.556 -1.135 289 HD23 LEU 80 2HD2 LEU 80 -6.172 1.561 -1.696 290 H HIS 81 H HIS 81 -6.769 -1.531 -3.279 291 HA HIS 81 HA HIS 81 -7.518 -4.299 -3.745 292 HB2 HIS 81 1HB HIS 81 -7.514 -2.371 -5.420 293 HB3 HIS 81 2HB HIS 81 -5.754 -2.393 -5.310 294 HD2 HIS 81 HD2 HIS 81 -8.721 -4.317 -6.750 295 HE1 HIS 81 HE1 HIS 81 -5.203 -5.843 -8.596 296 HE2 HIS 81 HE2 HIS 81 -7.756 -5.831 -8.670 297 HA PRO 82 HA PRO 82 -3.699 -5.929 -2.109 298 HB2 PRO 82 2HB PRO 82 -3.245 -8.122 -3.749 299 HB3 PRO 82 3HB PRO 82 -4.436 -8.067 -2.421 300 HG2 PRO 82 2HG PRO 82 -4.910 -7.656 -5.363 301 HG3 PRO 82 3HG PRO 82 -5.873 -8.624 -4.195 302 HD2 PRO 82 2HD PRO 82 -6.592 -6.122 -4.942 303 HD3 PRO 82 3HD PRO 82 -6.856 -6.667 -3.265 304 H GLU 83 H GLU 83 -3.888 -5.277 -5.622 305 HA GLU 83 HA GLU 83 -1.018 -5.408 -5.903 306 HB2 GLU 83 1HB GLU 83 -3.280 -5.592 -7.567 307 HB3 GLU 83 2HB GLU 83 -2.550 -4.069 -8.028 308 HG2 GLU 83 1HG GLU 83 -1.725 -5.832 -9.426 309 HG3 GLU 83 2HG GLU 83 -0.390 -5.365 -8.355 310 H GLN 84 H GLN 84 -3.432 -2.797 -5.579 311 HA GLN 84 HA GLN 84 -1.715 -0.582 -6.151 312 HB2 GLN 84 1HB GLN 84 -4.016 -0.810 -4.160 313 HB3 GLN 84 2HB GLN 84 -3.202 0.702 -4.596 314 HG2 GLN 84 1HG GLN 84 -3.983 0.545 -6.874 315 HG3 GLN 84 2HG GLN 84 -4.747 -1.007 -6.530 316 HE21 GLN 84 2HE2 GLN 84 -4.772 2.451 -5.735 317 HE22 GLN 84 1HE2 GLN 84 -6.424 2.576 -5.262 318 H ILE 85 H ILE 85 -2.375 -2.389 -3.120 319 HA ILE 85 HA ILE 85 -1.009 -0.776 -1.304 320 HB ILE 85 HB ILE 85 -1.422 -3.775 -1.436 321 HG12 ILE 85 1HG1 ILE 85 -2.714 -1.707 0.399 322 HG13 ILE 85 2HG1 ILE 85 -3.394 -2.122 -1.158 323 HG21 ILE 85 1HG2 ILE 85 -0.293 -2.109 0.854 324 HG22 ILE 85 2HG2 ILE 85 -0.793 -3.816 0.963 325 HG23 ILE 85 3HG2 ILE 85 0.557 -3.371 -0.048 326 HD11 ILE 85 3HD1 ILE 85 -4.481 -3.443 0.522 327 HD12 ILE 85 1HD1 ILE 85 -3.505 -4.503 -0.525 328 HD13 ILE 85 2HD1 ILE 85 -2.929 -4.081 1.098 329 H ARG 86 H ARG 86 0.371 -3.636 -3.016 330 HA ARG 86 HA ARG 86 3.017 -3.320 -2.217 331 HB2 ARG 86 1HB ARG 86 2.466 -5.290 -3.256 332 HB3 ARG 86 2HB ARG 86 1.636 -4.532 -4.597 333 HG2 ARG 86 1HG ARG 86 4.596 -4.029 -4.361 334 HG3 ARG 86 2HG ARG 86 4.081 -5.645 -4.811 335 HD2 ARG 86 1HD ARG 86 3.211 -5.013 -6.846 336 HD3 ARG 86 2HD ARG 86 2.651 -3.457 -6.256 337 HE ARG 86 HE ARG 86 4.664 -2.462 -6.642 338 HH11 ARG 86 1HH1 ARG 86 5.064 -6.035 -7.355 339 HH12 ARG 86 2HH1 ARG 86 6.453 -5.728 -8.332 340 HH21 ARG 86 1HH2 ARG 86 6.570 -2.266 -7.842 341 HH22 ARG 86 2HH2 ARG 86 7.308 -3.642 -8.604 342 H TYR 87 H TYR 87 1.454 -1.582 -4.969 343 HA TYR 87 HA TYR 87 3.878 -0.290 -5.763 344 HB2 TYR 87 2HB TYR 87 1.720 -0.509 -7.061 345 HB3 TYR 87 3HB TYR 87 0.996 0.688 -6.033 346 HD1 TYR 87 2HD TYR 87 4.420 0.546 -7.699 347 HD2 TYR 87 1HD TYR 87 0.669 2.643 -7.213 348 HE1 TYR 87 2HE TYR 87 5.240 2.327 -9.150 349 HE2 TYR 87 1HE TYR 87 1.501 4.432 -8.738 350 HH TYR 87 HH TYR 87 4.793 4.389 -10.061 351 H SER 88 H SER 88 1.287 0.697 -3.539 352 HA SER 88 HA SER 88 2.380 3.338 -3.108 353 HB2 SER 88 1HB SER 88 0.386 1.766 -1.447 354 HB3 SER 88 2HB SER 88 0.752 3.497 -1.295 355 HG SER 88 HG SER 88 0.259 3.524 -3.702 356 H LEU 89 H LEU 89 2.758 0.182 -1.505 357 HA LEU 89 HA LEU 89 4.385 1.019 0.695 358 HB2 LEU 89 1HB LEU 89 4.363 -1.543 -0.968 359 HB3 LEU 89 2HB LEU 89 5.334 -1.323 0.474 360 HG LEU 89 HG LEU 89 2.309 -1.112 0.510 361 HD11 LEU 89 1HD1 LEU 89 2.875 -3.355 -0.143 362 HD12 LEU 89 2HD1 LEU 89 2.463 -3.358 1.569 363 HD13 LEU 89 3HD1 LEU 89 4.172 -3.449 1.056 364 HD21 LEU 89 3HD2 LEU 89 2.677 -1.517 2.914 365 HD22 LEU 89 1HD2 LEU 89 3.296 0.030 2.323 366 HD23 LEU 89 2HD2 LEU 89 4.406 -1.321 2.677 367 H GLU 90 H GLU 90 5.139 0.324 -2.772 368 HA GLU 90 HA GLU 90 8.023 0.525 -2.397 369 HB2 GLU 90 1HB GLU 90 6.268 0.915 -4.869 370 HB3 GLU 90 2HB GLU 90 8.000 1.139 -4.867 371 HG2 GLU 90 1HG GLU 90 8.248 -1.261 -4.090 372 HG3 GLU 90 2HG GLU 90 6.520 -1.461 -4.386 373 H ASN 91 H ASN 91 5.432 2.795 -3.001 374 HA ASN 91 HA ASN 91 7.188 5.029 -3.624 375 HB2 ASN 91 1HB ASN 91 4.212 4.763 -3.145 376 HB3 ASN 91 2HB ASN 91 4.981 6.345 -3.103 377 HD21 ASN 91 2HD2 ASN 91 4.680 3.401 -5.236 378 HD22 ASN 91 1HD2 ASN 91 5.207 4.268 -6.673 379 H THR 92 H THR 92 5.284 4.215 -0.635 380 HA THR 92 HA THR 92 6.337 6.401 0.877 381 HB THR 92 HB THR 92 5.066 5.247 2.655 382 HG1 THR 92 1HG THR 92 3.952 3.252 1.927 383 HG21 THR 92 3HG2 THR 92 3.696 6.538 1.024 384 HG22 THR 92 1HG2 THR 92 2.829 5.118 1.644 385 HG23 THR 92 2HG2 THR 92 3.500 5.083 0.018 386 H GLY 93 H GLY 93 7.042 2.920 0.644 387 HA2 GLY 93 1HA GLY 93 9.038 1.807 1.143 388 HA3 GLY 93 2HA GLY 93 9.702 3.249 1.905 389 H SER 94 H SER 94 6.642 3.024 3.285 390 HA SER 94 HA SER 94 7.335 0.918 5.256 391 HB2 SER 94 1HB SER 94 6.646 3.709 6.168 392 HB3 SER 94 2HB SER 94 7.221 2.329 7.122 393 HG SER 94 HG SER 94 9.202 2.487 5.765 394 H VAL 95 H VAL 95 5.675 -0.163 5.978 395 HA VAL 95 HA VAL 95 3.086 -0.128 4.842 396 HB VAL 95 HB VAL 95 4.196 -1.300 7.420 397 HG11 VAL 95 1HG1 VAL 95 1.394 -1.810 6.411 398 HG12 VAL 95 2HG1 VAL 95 2.259 -2.709 7.659 399 HG13 VAL 95 3HG1 VAL 95 1.849 -1.024 7.932 400 HG21 VAL 95 3HG2 VAL 95 4.983 -2.225 5.265 401 HG22 VAL 95 1HG2 VAL 95 4.101 -3.396 6.282 402 HG23 VAL 95 2HG2 VAL 95 3.307 -2.648 4.880 403 H GLU 96 H GLU 96 4.161 1.012 8.038 404 HA GLU 96 HA GLU 96 1.895 2.044 9.119 405 HB2 GLU 96 1HB GLU 96 3.376 3.266 10.558 406 HB3 GLU 96 2HB GLU 96 4.155 1.745 10.098 407 HG2 GLU 96 1HG GLU 96 5.411 3.090 8.305 408 HG3 GLU 96 2HG GLU 96 4.855 4.531 9.176 409 H GLU 97 H GLU 97 4.097 3.797 6.902 410 HA GLU 97 HA GLU 97 2.587 6.230 6.958 411 HB2 GLU 97 1HB GLU 97 4.869 6.227 6.101 412 HB3 GLU 97 2HB GLU 97 4.434 5.136 4.780 413 HG2 GLU 97 1HG GLU 97 4.656 7.396 3.958 414 HG3 GLU 97 2HG GLU 97 3.016 6.850 3.770 415 H THR 98 H THR 98 2.546 3.433 4.825 416 HA THR 98 HA THR 98 0.671 4.299 2.942 417 HB THR 98 HB THR 98 1.137 1.431 3.804 418 HG1 THR 98 1HG THR 98 3.144 2.298 3.465 419 HG21 THR 98 3HG2 THR 98 -0.644 1.814 2.174 420 HG22 THR 98 1HG2 THR 98 0.750 0.992 1.427 421 HG23 THR 98 2HG2 THR 98 0.475 2.733 1.147 422 H VAL 99 H VAL 99 0.148 2.646 6.039 423 HA VAL 99 HA VAL 99 -2.734 2.538 5.645 424 HB VAL 99 HB VAL 99 -1.155 2.142 8.206 425 HG11 VAL 99 1HG1 VAL 99 -3.162 0.879 8.934 426 HG12 VAL 99 2HG1 VAL 99 -3.611 2.542 8.548 427 HG13 VAL 99 3HG1 VAL 99 -3.984 1.244 7.398 428 HG21 VAL 99 3HG2 VAL 99 -0.455 0.515 6.490 429 HG22 VAL 99 1HG2 VAL 99 -1.426 -0.289 7.702 430 HG23 VAL 99 2HG2 VAL 99 -2.157 0.123 6.139 431 H GLU 100 H GLU 100 -0.500 4.833 7.249 432 HA GLU 100 HA GLU 100 -2.477 6.432 8.527 433 HB2 GLU 100 1HB GLU 100 0.382 6.883 7.632 434 HB3 GLU 100 2HB GLU 100 -0.596 8.202 8.269 435 HG2 GLU 100 1HG GLU 100 -0.979 7.045 10.354 436 HG3 GLU 100 2HG GLU 100 -0.114 5.613 9.789 437 H ARG 101 H ARG 101 -0.925 6.673 5.303 438 HA ARG 101 HA ARG 101 -2.366 9.080 4.633 439 HB2 ARG 101 1HB ARG 101 -1.496 8.734 2.393 440 HB3 ARG 101 2HB ARG 101 -0.242 8.467 3.619 441 HG2 ARG 101 1HG ARG 101 -0.791 6.008 3.447 442 HG3 ARG 101 2HG ARG 101 -1.777 6.404 2.066 443 HD2 ARG 101 1HD ARG 101 1.205 6.645 2.400 444 HD3 ARG 101 2HD ARG 101 0.344 5.547 1.304 445 HE ARG 101 HE ARG 101 0.775 8.415 1.148 446 HH11 ARG 101 1HH1 ARG 101 -1.238 5.777 -0.223 447 HH12 ARG 101 2HH1 ARG 101 -1.725 6.735 -1.584 448 HH21 ARG 101 1HH2 ARG 101 0.303 9.496 -0.889 449 HH22 ARG 101 2HH2 ARG 101 -0.989 8.876 -1.861 450 H TYR 102 H TYR 102 -2.940 5.628 4.232 451 HA TYR 102 HA TYR 102 -5.290 5.817 2.560 452 HB2 TYR 102 2HB TYR 102 -4.527 3.709 2.744 453 HB3 TYR 102 3HB TYR 102 -4.214 3.787 4.475 454 HD1 TYR 102 1HD TYR 102 -7.006 3.818 1.987 455 HD2 TYR 102 2HD TYR 102 -5.723 2.880 5.990 456 HE1 TYR 102 1HE TYR 102 -9.172 2.715 2.409 457 HE2 TYR 102 2HE TYR 102 -7.868 1.829 6.471 458 HH TYR 102 HH TYR 102 -10.554 2.262 4.316 459 H LEU 103 H LEU 103 -5.182 5.545 6.160 460 HA LEU 103 HA LEU 103 -7.938 6.138 6.440 461 HB2 LEU 103 1HB LEU 103 -7.491 6.540 8.801 462 HB3 LEU 103 2HB LEU 103 -6.776 5.052 8.173 463 HG LEU 103 HG LEU 103 -4.603 6.470 7.968 464 HD11 LEU 103 1HD1 LEU 103 -4.342 8.149 9.799 465 HD12 LEU 103 2HD1 LEU 103 -6.080 8.030 10.156 466 HD13 LEU 103 3HD1 LEU 103 -5.510 8.697 8.611 467 HD21 LEU 103 3HD2 LEU 103 -3.945 5.801 10.243 468 HD22 LEU 103 1HD2 LEU 103 -4.855 4.535 9.414 469 HD23 LEU 103 2HD2 LEU 103 -5.651 5.527 10.655 470 H ARG 104 H ARG 104 -5.309 8.318 5.753 471 HA ARG 104 HA ARG 104 -6.901 10.661 6.585 472 HB2 ARG 104 1HB ARG 104 -5.114 11.940 6.448 473 HB3 ARG 104 2HB ARG 104 -4.251 10.421 6.575 474 HG2 ARG 104 1HG ARG 104 -4.021 10.445 4.049 475 HG3 ARG 104 2HG ARG 104 -4.807 12.005 4.003 476 HD2 ARG 104 1HD ARG 104 -2.284 11.446 5.590 477 HD3 ARG 104 2HD ARG 104 -2.290 11.983 3.914 478 HE ARG 104 HE ARG 104 -3.458 13.955 4.482 479 HH11 ARG 104 1HH1 ARG 104 -1.954 12.289 7.298 480 HH12 ARG 104 2HH1 ARG 104 -1.742 13.740 8.200 481 HH21 ARG 104 1HH2 ARG 104 -3.270 15.831 5.796 482 HH22 ARG 104 2HH2 ARG 104 -2.616 15.777 7.419 483 H GLY 105 H GLY 105 -6.859 8.625 3.852 484 HA2 GLY 105 1HA GLY 105 -8.360 8.684 2.120 485 HA3 GLY 105 2HA GLY 105 -8.697 10.393 2.414 486 H ASP 106 H ASP 106 -5.330 9.300 2.108 487 HA ASP 106 HA ASP 106 -5.016 11.172 -0.072 488 HB2 ASP 106 1HB ASP 106 -3.245 10.093 1.706 489 HB3 ASP 106 2HB ASP 106 -2.843 9.210 0.206 490 H GLU 107 H GLU 107 -3.853 10.405 -2.206 491 HA GLU 107 HA GLU 107 -5.582 8.394 -3.427 492 HB2 GLU 107 1HB GLU 107 -4.910 9.227 -5.448 493 HB3 GLU 107 2HB GLU 107 -4.892 10.629 -4.361 494 HG2 GLU 107 1HG GLU 107 -2.450 10.415 -4.163 495 HG3 GLU 107 2HG GLU 107 -2.463 9.004 -5.244 496 H PHE 108 H PHE 108 -5.148 6.584 -4.466 497 HA PHE 108 HA PHE 108 -2.510 5.317 -4.010 498 HB2 PHE 108 2HB PHE 108 -5.281 4.198 -3.476 499 HB3 PHE 108 3HB PHE 108 -3.857 3.189 -3.737 500 HD1 PHE 108 2HD PHE 108 -5.154 5.923 -1.528 501 HD2 PHE 108 1HD PHE 108 -2.336 2.734 -2.009 502 HE1 PHE 108 2HE PHE 108 -4.384 6.260 0.788 503 HE2 PHE 108 1HE PHE 108 -1.740 2.878 0.383 504 HZ PHE 108 HZ PHE 108 -2.754 4.628 1.798 505 H SER 109 H SER 109 -1.720 5.209 -5.872 506 HA SER 109 HA SER 109 -3.269 4.839 -8.352 507 HB2 SER 109 1HB SER 109 -0.281 5.151 -7.862 508 HB3 SER 109 2HB SER 109 -1.128 5.363 -9.410 509 HG SER 109 HG SER 109 -0.653 7.347 -8.223 510 H PHE 110 H PHE 110 -2.030 3.155 -9.976 511 HA PHE 110 HA PHE 110 -1.802 0.573 -8.505 512 HB2 PHE 110 2HB PHE 110 -2.848 1.316 -11.233 513 HB3 PHE 110 3HB PHE 110 -2.278 -0.300 -10.943 514 HD1 PHE 110 1HD PHE 110 -4.740 2.256 -9.735 515 HD2 PHE 110 2HD PHE 110 -3.652 -1.922 -9.784 516 HE1 PHE 110 1HE PHE 110 -6.886 1.682 -8.630 517 HE2 PHE 110 2HE PHE 110 -5.802 -2.491 -8.715 518 HZ PHE 110 HZ PHE 110 -7.417 -0.683 -8.086 519 HA PRO 111 HA PRO 111 2.349 0.337 -9.846 520 HB2 PRO 111 2HB PRO 111 2.735 -2.364 -10.343 521 HB3 PRO 111 3HB PRO 111 2.582 -1.689 -8.696 522 HG2 PRO 111 2HG PRO 111 0.470 -2.941 -10.456 523 HG3 PRO 111 3HG PRO 111 0.770 -3.273 -8.721 524 HD2 PRO 111 2HD PRO 111 -1.207 -1.600 -9.540 525 HD3 PRO 111 3HD PRO 111 -0.274 -1.202 -8.090 526 HA PRO 112 HA PRO 112 2.613 0.426 -14.233 527 HB2 PRO 112 2HB PRO 112 5.224 -0.580 -14.612 528 HB3 PRO 112 3HB PRO 112 4.773 1.122 -14.339 529 HG2 PRO 112 2HG PRO 112 5.888 -0.903 -12.432 530 HG3 PRO 112 3HG PRO 112 6.105 0.868 -12.419 531 HD2 PRO 112 2HD PRO 112 4.416 -0.479 -10.712 532 HD3 PRO 112 3HD PRO 112 4.123 1.201 -11.250 533 H GLY 113 H GLY 113 2.398 -1.009 -16.041 534 HA2 GLY 113 1HA GLY 113 2.428 -3.073 -17.140 535 HA3 GLY 113 2HA GLY 113 2.809 -3.905 -15.639 536 H PHE 114 H PHE 114 0.419 -2.052 -14.411 537 HA PHE 114 HA PHE 114 -1.604 -4.111 -14.829 538 HB2 PHE 114 2HB PHE 114 -1.151 -2.928 -12.655 539 HB3 PHE 114 3HB PHE 114 -1.702 -1.429 -13.353 540 HD1 PHE 114 2HD PHE 114 -2.979 -4.991 -13.095 541 HD2 PHE 114 1HD PHE 114 -3.868 -0.775 -12.923 542 HE1 PHE 114 2HE PHE 114 -5.252 -5.512 -12.295 543 HE2 PHE 114 1HE PHE 114 -6.149 -1.295 -12.108 544 HZ PHE 114 HZ PHE 114 -6.859 -3.674 -11.800 545 H GLU 115 H GLU 115 -0.977 -0.756 -15.702 546 HA GLU 115 HA GLU 115 -3.456 -0.418 -17.239 547 HB2 GLU 115 1HB GLU 115 -2.575 1.755 -17.774 548 HB3 GLU 115 2HB GLU 115 -2.502 1.509 -16.041 549 HG2 GLU 115 1HG GLU 115 -0.123 1.327 -16.035 550 HG3 GLU 115 2HG GLU 115 -0.032 0.969 -17.757 Start of MODEL 14 1 H1 GLY 41 H GLY 41 -4.134 10.178 -29.466 2 HA2 GLY 41 1HA GLY 41 -3.357 10.390 -26.609 3 HA3 GLY 41 2HA GLY 41 -4.475 9.183 -27.263 4 H ALA 42 H ALA 42 -1.064 10.266 -27.208 5 HA ALA 42 HA ALA 42 -0.171 7.904 -28.724 6 HB1 ALA 42 3HB ALA 42 2.075 8.860 -28.334 7 HB2 ALA 42 1HB ALA 42 0.981 10.007 -29.134 8 HB3 ALA 42 2HB ALA 42 1.359 10.194 -27.412 9 H MET 43 H MET 43 -1.262 6.479 -27.204 10 HA MET 43 HA MET 43 -0.696 6.187 -24.448 11 HB2 MET 43 1HB MET 43 -1.488 4.121 -26.542 12 HB3 MET 43 2HB MET 43 -1.523 3.847 -24.800 13 HG2 MET 43 1HG MET 43 -3.120 6.032 -26.194 14 HG3 MET 43 2HG MET 43 -3.732 4.419 -25.885 15 HE1 MET 43 3HE MET 43 -4.881 3.647 -23.884 16 HE2 MET 43 1HE MET 43 -3.289 3.447 -23.110 17 HE3 MET 43 2HE MET 43 -4.618 4.241 -22.237 18 H GLY 44 H GLY 44 0.892 4.813 -27.326 19 HA2 GLY 44 1HA GLY 44 2.995 3.919 -27.626 20 HA3 GLY 44 2HA GLY 44 3.448 4.573 -26.048 21 HA PRO 45 HA PRO 45 1.611 0.218 -25.095 22 HB2 PRO 45 2HB PRO 45 0.952 -1.490 -27.143 23 HB3 PRO 45 3HB PRO 45 -0.154 -0.215 -26.558 24 HG2 PRO 45 2HG PRO 45 1.761 -0.091 -28.910 25 HG3 PRO 45 3HG PRO 45 0.007 0.293 -28.887 26 HD2 PRO 45 2HD PRO 45 1.890 2.233 -28.646 27 HD3 PRO 45 3HD PRO 45 0.361 2.305 -27.712 28 H GLN 46 H GLN 46 2.465 -2.249 -25.641 29 HA GLN 46 HA GLN 46 5.402 -1.998 -25.888 30 HB2 GLN 46 1HB GLN 46 3.591 -4.243 -24.894 31 HB3 GLN 46 2HB GLN 46 5.336 -4.382 -25.066 32 HG2 GLN 46 1HG GLN 46 5.047 -3.952 -22.823 33 HG3 GLN 46 2HG GLN 46 5.604 -2.425 -23.494 34 HE21 GLN 46 2HE2 GLN 46 4.400 -0.637 -22.750 35 HE22 GLN 46 1HE2 GLN 46 2.758 -0.747 -22.148 36 H GLY 47 H GLY 47 6.024 -4.496 -26.819 37 HA2 GLY 47 1HA GLY 47 4.766 -5.032 -29.408 38 HA3 GLY 47 2HA GLY 47 6.448 -4.457 -29.463 39 H SER 48 H SER 48 7.909 -5.549 -27.776 40 HA SER 48 HA SER 48 7.314 -8.394 -27.209 41 HB2 SER 48 1HB SER 48 8.542 -8.200 -29.381 42 HB3 SER 48 2HB SER 48 9.815 -7.294 -28.557 43 HG SER 48 HG SER 48 9.145 -10.033 -28.409 44 H THR 49 H THR 49 9.724 -8.956 -26.047 45 HA THR 49 HA THR 49 9.858 -7.155 -23.686 46 HB THR 49 HB THR 49 10.954 -9.313 -22.711 47 HG1 THR 49 1HG THR 49 10.291 -11.206 -23.618 48 HG21 THR 49 3HG2 THR 49 7.991 -9.196 -23.398 49 HG22 THR 49 1HG2 THR 49 8.774 -8.473 -21.983 50 HG23 THR 49 2HG2 THR 49 8.701 -10.230 -22.139 51 H GLN 50 H GLN 50 12.156 -6.879 -22.857 52 HA GLN 50 HA GLN 50 14.223 -7.172 -24.967 53 HB2 GLN 50 1HB GLN 50 13.059 -4.966 -25.228 54 HB3 GLN 50 2HB GLN 50 13.567 -4.522 -23.599 55 HG2 GLN 50 1HG GLN 50 15.928 -4.606 -24.290 56 HG3 GLN 50 2HG GLN 50 15.471 -5.260 -25.867 57 HE21 GLN 50 2HE2 GLN 50 15.691 -2.312 -23.920 58 HE22 GLN 50 1HE2 GLN 50 15.138 -1.215 -25.168 59 H ASN 51 H ASN 51 14.705 -8.925 -23.466 60 HA ASN 51 HA ASN 51 15.724 -8.127 -20.788 61 HB2 ASN 51 1HB ASN 51 15.564 -10.913 -21.995 62 HB3 ASN 51 2HB ASN 51 15.916 -10.497 -20.329 63 HD21 ASN 51 2HD2 ASN 51 14.093 -10.456 -18.859 64 HD22 ASN 51 1HD2 ASN 51 12.461 -10.559 -19.497 65 H ALA 52 H ALA 52 17.879 -8.447 -20.260 66 HA ALA 52 HA ALA 52 19.823 -9.387 -22.264 67 HB1 ALA 52 3HB ALA 52 19.818 -6.595 -21.021 68 HB2 ALA 52 1HB ALA 52 21.184 -7.296 -21.904 69 HB3 ALA 52 2HB ALA 52 19.659 -6.986 -22.749 70 H LEU 53 H LEU 53 21.945 -9.821 -21.231 71 HA LEU 53 HA LEU 53 21.614 -10.319 -18.326 72 HB2 LEU 53 1HB LEU 53 22.979 -12.108 -18.428 73 HB3 LEU 53 2HB LEU 53 22.134 -12.204 -19.959 74 HG LEU 53 HG LEU 53 24.994 -11.187 -19.548 75 HD11 LEU 53 1HD1 LEU 53 23.980 -13.770 -20.794 76 HD12 LEU 53 2HD1 LEU 53 24.703 -13.624 -19.176 77 HD13 LEU 53 3HD1 LEU 53 25.676 -13.269 -20.610 78 HD21 LEU 53 3HD2 LEU 53 23.375 -11.643 -22.095 79 HD22 LEU 53 1HD2 LEU 53 25.124 -11.393 -22.054 80 HD23 LEU 53 2HD2 LEU 53 24.058 -10.100 -21.520 81 H ARG 54 H ARG 54 23.050 -7.997 -20.171 82 HA ARG 54 HA ARG 54 24.860 -7.341 -17.898 83 HB2 ARG 54 1HB ARG 54 25.999 -8.494 -19.909 84 HB3 ARG 54 2HB ARG 54 25.765 -6.978 -20.777 85 HG2 ARG 54 1HG ARG 54 27.045 -6.969 -18.027 86 HG3 ARG 54 2HG ARG 54 27.982 -7.545 -19.398 87 HD2 ARG 54 1HD ARG 54 27.976 -5.493 -20.502 88 HD3 ARG 54 2HD ARG 54 26.591 -4.872 -19.589 89 HE ARG 54 HE ARG 54 28.498 -5.356 -17.663 90 HH11 ARG 54 1HH1 ARG 54 28.269 -3.265 -20.524 91 HH12 ARG 54 2HH1 ARG 54 29.318 -2.038 -19.902 92 HH21 ARG 54 1HH2 ARG 54 29.664 -3.789 -16.754 93 HH22 ARG 54 2HH2 ARG 54 29.983 -2.259 -17.509 94 H ARG 55 H ARG 55 24.861 -5.274 -17.251 95 HA ARG 55 HA ARG 55 23.610 -3.150 -18.880 96 HB2 ARG 55 1HB ARG 55 22.516 -2.312 -16.758 97 HB3 ARG 55 2HB ARG 55 21.772 -3.682 -17.503 98 HG2 ARG 55 1HG ARG 55 23.743 -4.216 -15.261 99 HG3 ARG 55 2HG ARG 55 22.164 -3.520 -14.871 100 HD2 ARG 55 1HD ARG 55 21.089 -5.330 -16.245 101 HD3 ARG 55 2HD ARG 55 22.692 -6.089 -16.376 102 HE ARG 55 HE ARG 55 21.337 -5.592 -13.780 103 HH11 ARG 55 1HH1 ARG 55 22.108 -7.938 -16.282 104 HH12 ARG 55 2HH1 ARG 55 22.210 -9.326 -15.250 105 HH21 ARG 55 1HH2 ARG 55 21.146 -7.424 -12.389 106 HH22 ARG 55 2HH2 ARG 55 21.468 -9.030 -13.005 107 H THR 56 H THR 56 23.941 -1.010 -17.510 108 HA THR 56 HA THR 56 26.724 -0.912 -16.444 109 HB THR 56 HB THR 56 26.786 1.348 -17.684 110 HG1 THR 56 1HG THR 56 24.488 0.183 -18.832 111 HG21 THR 56 3HG2 THR 56 27.596 0.305 -19.728 112 HG22 THR 56 1HG2 THR 56 26.765 -1.211 -19.335 113 HG23 THR 56 2HG2 THR 56 28.111 -0.631 -18.321 114 H GLY 57 H GLY 57 26.266 -0.697 -14.310 115 HA2 GLY 57 1HA GLY 57 25.501 0.095 -12.333 116 HA3 GLY 57 2HA GLY 57 25.615 1.681 -13.106 117 H ARG 58 H ARG 58 23.446 -1.136 -12.717 118 HA ARG 58 HA ARG 58 21.179 -0.139 -13.836 119 HB2 ARG 58 1HB ARG 58 19.990 -1.791 -12.927 120 HB3 ARG 58 2HB ARG 58 21.621 -2.446 -12.837 121 HG2 ARG 58 1HG ARG 58 19.827 -1.423 -10.623 122 HG3 ARG 58 2HG ARG 58 20.355 -3.073 -10.893 123 HD2 ARG 58 1HD ARG 58 22.229 -0.806 -10.123 124 HD3 ARG 58 2HD ARG 58 21.406 -1.865 -8.970 125 HE ARG 58 HE ARG 58 22.928 -3.403 -10.841 126 HH11 ARG 58 1HH1 ARG 58 23.213 -1.157 -8.141 127 HH12 ARG 58 2HH1 ARG 58 24.752 -1.697 -7.576 128 HH21 ARG 58 1HH2 ARG 58 24.968 -4.250 -10.098 129 HH22 ARG 58 2HH2 ARG 58 25.588 -3.800 -8.544 130 H VAL 59 H VAL 59 19.558 1.143 -13.540 131 HA VAL 59 HA VAL 59 19.672 3.313 -11.706 132 HB VAL 59 HB VAL 59 18.909 3.287 -14.097 133 HG11 VAL 59 1HG1 VAL 59 16.640 2.555 -14.680 134 HG12 VAL 59 2HG1 VAL 59 17.602 1.187 -14.110 135 HG13 VAL 59 3HG1 VAL 59 16.393 1.924 -13.044 136 HG21 VAL 59 3HG2 VAL 59 17.224 4.918 -13.949 137 HG22 VAL 59 1HG2 VAL 59 16.672 4.347 -12.369 138 HG23 VAL 59 2HG2 VAL 59 18.264 5.142 -12.531 139 H ASN 60 H ASN 60 17.347 3.900 -10.580 140 HA ASN 60 HA ASN 60 16.179 1.571 -9.249 141 HB2 ASN 60 1HB ASN 60 17.596 3.882 -7.834 142 HB3 ASN 60 2HB ASN 60 16.425 2.850 -7.017 143 HD21 ASN 60 2HD2 ASN 60 16.769 0.430 -7.347 144 HD22 ASN 60 1HD2 ASN 60 18.408 -0.174 -7.496 145 H GLY 61 H GLY 61 14.437 2.667 -7.606 146 HA2 GLY 61 1HA GLY 61 13.078 4.968 -8.795 147 HA3 GLY 61 2HA GLY 61 12.242 3.423 -9.006 148 H GLY 62 H GLY 62 11.539 2.250 -7.072 149 HA2 GLY 62 1HA GLY 62 10.921 4.052 -4.833 150 HA3 GLY 62 2HA GLY 62 10.161 2.514 -5.251 151 H HIS 63 H HIS 63 10.371 1.762 -3.293 152 HA HIS 63 HA HIS 63 13.036 1.080 -2.152 153 HB2 HIS 63 1HB HIS 63 10.297 1.520 -0.892 154 HB3 HIS 63 2HB HIS 63 11.679 0.879 -0.003 155 HD1 HIS 63 HD1 HIS 63 13.581 2.634 0.692 156 HD2 HIS 63 HD2 HIS 63 10.432 4.141 -1.680 157 HE1 HIS 63 HE1 HIS 63 13.876 5.176 0.594 158 HA PRO 64 HA PRO 64 11.875 -3.187 -2.809 159 HB2 PRO 64 2HB PRO 64 13.461 -4.490 -1.013 160 HB3 PRO 64 3HB PRO 64 14.143 -3.626 -2.429 161 HG2 PRO 64 2HG PRO 64 14.000 -2.662 0.420 162 HG3 PRO 64 3HG PRO 64 15.330 -2.519 -0.778 163 HD2 PRO 64 2HD PRO 64 13.574 -0.469 -0.273 164 HD3 PRO 64 3HD PRO 64 14.363 -0.749 -1.856 165 H VAL 65 H VAL 65 10.019 -4.190 -2.212 166 HA VAL 65 HA VAL 65 9.247 -4.153 0.674 167 HB VAL 65 HB VAL 65 6.983 -3.849 0.020 168 HG11 VAL 65 1HG1 VAL 65 7.039 -1.585 -0.855 169 HG12 VAL 65 2HG1 VAL 65 8.308 -1.815 0.362 170 HG13 VAL 65 3HG1 VAL 65 8.703 -1.758 -1.367 171 HG21 VAL 65 3HG2 VAL 65 7.860 -3.573 -2.892 172 HG22 VAL 65 1HG2 VAL 65 7.026 -4.993 -2.229 173 HG23 VAL 65 2HG2 VAL 65 6.212 -3.414 -2.238 174 H THR 66 H THR 66 7.817 -5.906 1.318 175 HA THR 66 HA THR 66 8.310 -8.397 -0.212 176 HB THR 66 HB THR 66 8.291 -9.323 2.240 177 HG1 THR 66 1HG THR 66 9.548 -7.209 3.242 178 HG21 THR 66 3HG2 THR 66 10.646 -7.605 1.300 179 HG22 THR 66 1HG2 THR 66 10.271 -9.208 0.668 180 HG23 THR 66 2HG2 THR 66 10.694 -9.022 2.382 181 H THR 67 H THR 67 6.733 -10.163 0.442 182 HA THR 67 HA THR 67 4.160 -9.440 -0.178 183 HB THR 67 HB THR 67 4.788 -11.855 1.521 184 HG1 THR 67 1HG THR 67 5.785 -12.867 -0.076 185 HG21 THR 67 3HG2 THR 67 3.329 -11.404 -1.154 186 HG22 THR 67 1HG2 THR 67 2.546 -11.595 0.428 187 HG23 THR 67 2HG2 THR 67 3.435 -12.951 -0.308 188 H GLN 68 H GLN 68 5.600 -9.996 3.012 189 HA GLN 68 HA GLN 68 3.375 -9.819 4.655 190 HB2 GLN 68 1HB GLN 68 4.950 -9.401 6.451 191 HB3 GLN 68 2HB GLN 68 5.600 -10.568 5.311 192 HG2 GLN 68 1HG GLN 68 6.624 -8.231 4.271 193 HG3 GLN 68 2HG GLN 68 6.514 -7.792 5.964 194 HE21 GLN 68 2HE2 GLN 68 7.445 -10.980 4.360 195 HE22 GLN 68 1HE2 GLN 68 9.087 -10.891 4.914 196 H MET 69 H MET 69 5.219 -7.123 3.108 197 HA MET 69 HA MET 69 4.054 -5.132 4.816 198 HB2 MET 69 1HB MET 69 5.312 -4.970 2.058 199 HB3 MET 69 2HB MET 69 4.848 -3.579 3.053 200 HG2 MET 69 1HG MET 69 6.403 -4.260 4.812 201 HG3 MET 69 2HG MET 69 6.823 -5.716 3.917 202 HE1 MET 69 3HE MET 69 6.360 -1.989 2.503 203 HE2 MET 69 1HE MET 69 7.123 -1.807 4.105 204 HE3 MET 69 2HE MET 69 8.023 -1.425 2.623 205 H VAL 70 H VAL 70 3.172 -6.475 1.577 206 HA VAL 70 HA VAL 70 0.939 -4.867 1.148 207 HB VAL 70 HB VAL 70 1.028 -7.787 0.289 208 HG11 VAL 70 1HG1 VAL 70 -0.279 -5.331 -0.901 209 HG12 VAL 70 2HG1 VAL 70 -0.277 -6.948 -1.619 210 HG13 VAL 70 3HG1 VAL 70 -1.101 -6.677 -0.079 211 HG21 VAL 70 3HG2 VAL 70 3.114 -6.971 -0.404 212 HG22 VAL 70 1HG2 VAL 70 2.052 -6.962 -1.819 213 HG23 VAL 70 2HG2 VAL 70 2.400 -5.433 -0.986 214 H GLU 71 H GLU 71 0.992 -8.130 2.609 215 HA GLU 71 HA GLU 71 -1.803 -8.141 3.212 216 HB2 GLU 71 1HB GLU 71 -1.234 -9.832 5.035 217 HB3 GLU 71 2HB GLU 71 -0.960 -10.252 3.342 218 HG2 GLU 71 1HG GLU 71 1.311 -10.017 3.479 219 HG3 GLU 71 2HG GLU 71 1.261 -9.169 5.007 220 H THR 72 H THR 72 0.941 -6.877 5.178 221 HA THR 72 HA THR 72 -0.646 -6.399 7.483 222 HB THR 72 HB THR 72 1.664 -4.669 6.525 223 HG1 THR 72 1HG THR 72 2.333 -6.803 6.689 224 HG21 THR 72 3HG2 THR 72 1.956 -4.293 8.996 225 HG22 THR 72 1HG2 THR 72 0.464 -5.202 9.297 226 HG23 THR 72 2HG2 THR 72 0.407 -3.665 8.417 227 H VAL 73 H VAL 73 0.127 -3.917 4.869 228 HA VAL 73 HA VAL 73 -1.860 -2.133 5.807 229 HB VAL 73 HB VAL 73 -1.110 -2.544 2.913 230 HG11 VAL 73 1HG1 VAL 73 -1.718 -0.196 2.596 231 HG12 VAL 73 2HG1 VAL 73 -3.092 -1.074 3.228 232 HG13 VAL 73 3HG1 VAL 73 -2.146 -0.048 4.319 233 HG21 VAL 73 3HG2 VAL 73 0.515 -0.709 3.244 234 HG22 VAL 73 1HG2 VAL 73 0.238 -0.794 4.989 235 HG23 VAL 73 2HG2 VAL 73 0.942 -2.184 4.113 236 H GLN 74 H GLN 74 -2.226 -4.774 3.404 237 HA GLN 74 HA GLN 74 -4.890 -4.303 2.696 238 HB2 GLN 74 1HB GLN 74 -3.407 -5.934 1.597 239 HB3 GLN 74 2HB GLN 74 -3.493 -6.966 3.020 240 HG2 GLN 74 1HG GLN 74 -4.855 -7.984 1.455 241 HG3 GLN 74 2HG GLN 74 -5.955 -7.267 2.598 242 HE21 GLN 74 2HE2 GLN 74 -6.507 -4.652 1.715 243 HE22 GLN 74 1HE2 GLN 74 -6.993 -4.726 0.047 244 H ASN 75 H ASN 75 -3.762 -6.041 5.612 245 HA ASN 75 HA ASN 75 -6.410 -6.989 6.393 246 HB2 ASN 75 1HB ASN 75 -3.827 -6.484 7.968 247 HB3 ASN 75 2HB ASN 75 -5.323 -6.971 8.730 248 HD21 ASN 75 2HD2 ASN 75 -2.693 -8.041 6.776 249 HD22 ASN 75 1HD2 ASN 75 -2.890 -9.744 7.107 250 H LEU 76 H LEU 76 -4.307 -4.194 7.150 251 HA LEU 76 HA LEU 76 -6.195 -3.038 9.008 252 HB2 LEU 76 1HB LEU 76 -3.782 -1.774 7.695 253 HB3 LEU 76 2HB LEU 76 -4.641 -1.203 9.128 254 HG LEU 76 HG LEU 76 -2.968 -3.726 8.876 255 HD11 LEU 76 1HD1 LEU 76 -1.687 -1.701 9.162 256 HD12 LEU 76 2HD1 LEU 76 -1.577 -2.736 10.586 257 HD13 LEU 76 3HD1 LEU 76 -2.617 -1.293 10.625 258 HD21 LEU 76 3HD2 LEU 76 -4.663 -2.953 11.230 259 HD22 LEU 76 1HD2 LEU 76 -3.373 -4.187 11.236 260 HD23 LEU 76 2HD2 LEU 76 -4.780 -4.432 10.226 261 H ALA 77 H ALA 77 -5.680 -2.744 5.547 262 HA ALA 77 HA ALA 77 -7.952 -0.870 5.254 263 HB1 ALA 77 3HB ALA 77 -6.830 -0.129 3.189 264 HB2 ALA 77 1HB ALA 77 -5.846 0.193 4.612 265 HB3 ALA 77 2HB ALA 77 -5.448 -1.172 3.554 266 HA PRO 78 HA PRO 78 -8.993 -4.852 3.086 267 HB2 PRO 78 2HB PRO 78 -11.534 -5.195 4.029 268 HB3 PRO 78 3HB PRO 78 -10.087 -5.669 4.969 269 HG2 PRO 78 2HG PRO 78 -11.693 -3.105 5.199 270 HG3 PRO 78 3HG PRO 78 -11.161 -4.211 6.508 271 HD2 PRO 78 2HD PRO 78 -9.740 -1.937 5.857 272 HD3 PRO 78 3HD PRO 78 -8.942 -3.453 6.388 273 H ASN 79 H ASN 79 -9.925 -1.620 3.040 274 HA ASN 79 HA ASN 79 -11.959 -1.839 0.936 275 HB2 ASN 79 1HB ASN 79 -12.146 -0.266 2.931 276 HB3 ASN 79 2HB ASN 79 -10.787 0.639 2.267 277 HD21 ASN 79 2HD2 ASN 79 -13.612 -0.822 0.491 278 HD22 ASN 79 1HD2 ASN 79 -14.146 0.718 -0.139 279 H LEU 80 H LEU 80 -8.736 -2.183 0.820 280 HA LEU 80 HA LEU 80 -8.381 -0.611 -1.698 281 HB2 LEU 80 1HB LEU 80 -6.372 -1.491 0.423 282 HB3 LEU 80 2HB LEU 80 -5.920 -0.815 -1.129 283 HG LEU 80 HG LEU 80 -7.401 0.621 1.103 284 HD11 LEU 80 1HD1 LEU 80 -4.967 0.208 1.437 285 HD12 LEU 80 2HD1 LEU 80 -5.304 1.932 1.212 286 HD13 LEU 80 3HD1 LEU 80 -4.623 0.987 -0.120 287 HD21 LEU 80 3HD2 LEU 80 -8.310 1.500 -0.945 288 HD22 LEU 80 1HD2 LEU 80 -6.683 1.614 -1.690 289 HD23 LEU 80 2HD2 LEU 80 -7.141 2.665 -0.324 290 H HIS 81 H HIS 81 -6.881 -1.606 -3.251 291 HA HIS 81 HA HIS 81 -7.402 -4.464 -3.544 292 HB2 HIS 81 1HB HIS 81 -7.589 -2.628 -5.354 293 HB3 HIS 81 2HB HIS 81 -5.843 -2.529 -5.293 294 HD2 HIS 81 HD2 HIS 81 -8.688 -4.831 -6.502 295 HE1 HIS 81 HE1 HIS 81 -5.030 -6.299 -8.134 296 HE2 HIS 81 HE2 HIS 81 -7.578 -6.528 -8.187 297 HA PRO 82 HA PRO 82 -3.363 -5.483 -1.847 298 HB2 PRO 82 2HB PRO 82 -2.694 -7.748 -3.263 299 HB3 PRO 82 3HB PRO 82 -3.852 -7.692 -1.898 300 HG2 PRO 82 2HG PRO 82 -4.419 -7.676 -4.864 301 HG3 PRO 82 3HG PRO 82 -5.264 -8.585 -3.569 302 HD2 PRO 82 2HD PRO 82 -6.207 -6.250 -4.626 303 HD3 PRO 82 3HD PRO 82 -6.486 -6.669 -2.912 304 H GLU 83 H GLU 83 -3.780 -4.994 -5.333 305 HA GLU 83 HA GLU 83 -0.959 -4.947 -5.819 306 HB2 GLU 83 1HB GLU 83 -2.997 -5.574 -7.347 307 HB3 GLU 83 2HB GLU 83 -3.147 -3.828 -7.605 308 HG2 GLU 83 1HG GLU 83 -1.923 -4.730 -9.402 309 HG3 GLU 83 2HG GLU 83 -0.815 -3.779 -8.415 310 H GLN 84 H GLN 84 -3.472 -2.447 -5.429 311 HA GLN 84 HA GLN 84 -1.830 -0.189 -6.029 312 HB2 GLN 84 1HB GLN 84 -3.979 -0.415 -3.881 313 HB3 GLN 84 2HB GLN 84 -3.315 1.089 -4.505 314 HG2 GLN 84 1HG GLN 84 -4.247 0.713 -6.695 315 HG3 GLN 84 2HG GLN 84 -4.784 -0.908 -6.257 316 HE21 GLN 84 2HE2 GLN 84 -5.288 2.545 -5.712 317 HE22 GLN 84 1HE2 GLN 84 -6.809 2.463 -4.924 318 H ILE 85 H ILE 85 -2.418 -1.940 -2.980 319 HA ILE 85 HA ILE 85 -0.899 -0.424 -1.210 320 HB ILE 85 HB ILE 85 -1.485 -3.395 -1.360 321 HG12 ILE 85 1HG1 ILE 85 -2.635 -1.354 0.585 322 HG13 ILE 85 2HG1 ILE 85 -3.375 -1.637 -0.989 323 HG21 ILE 85 1HG2 ILE 85 -0.780 -3.502 1.028 324 HG22 ILE 85 2HG2 ILE 85 0.536 -3.121 -0.041 325 HG23 ILE 85 3HG2 ILE 85 -0.196 -1.819 0.911 326 HD11 ILE 85 3HD1 ILE 85 -2.878 -3.832 1.063 327 HD12 ILE 85 1HD1 ILE 85 -4.437 -3.033 0.741 328 HD13 ILE 85 2HD1 ILE 85 -3.645 -4.008 -0.513 329 H ARG 86 H ARG 86 0.272 -3.379 -3.016 330 HA ARG 86 HA ARG 86 2.944 -3.184 -2.282 331 HB2 ARG 86 1HB ARG 86 2.313 -5.107 -3.362 332 HB3 ARG 86 2HB ARG 86 1.525 -4.289 -4.693 333 HG2 ARG 86 1HG ARG 86 4.529 -3.961 -4.377 334 HG3 ARG 86 2HG ARG 86 3.899 -5.491 -4.974 335 HD2 ARG 86 1HD ARG 86 2.948 -4.590 -6.904 336 HD3 ARG 86 2HD ARG 86 2.747 -2.999 -6.229 337 HE ARG 86 HE ARG 86 4.920 -2.400 -6.656 338 HH11 ARG 86 1HH1 ARG 86 4.368 -5.853 -7.482 339 HH12 ARG 86 2HH1 ARG 86 5.796 -6.025 -8.424 340 HH21 ARG 86 1HH2 ARG 86 6.940 -2.735 -7.738 341 HH22 ARG 86 2HH2 ARG 86 7.337 -4.212 -8.547 342 H TYR 87 H TYR 87 1.468 -1.354 -5.047 343 HA TYR 87 HA TYR 87 3.957 -0.157 -5.797 344 HB2 TYR 87 2HB TYR 87 1.832 -0.285 -7.155 345 HB3 TYR 87 3HB TYR 87 1.107 0.910 -6.113 346 HD1 TYR 87 2HD TYR 87 4.590 0.766 -7.648 347 HD2 TYR 87 1HD TYR 87 0.784 2.828 -7.412 348 HE1 TYR 87 2HE TYR 87 5.467 2.561 -9.064 349 HE2 TYR 87 1HE TYR 87 1.681 4.615 -8.883 350 HH TYR 87 HH TYR 87 5.093 4.833 -9.588 351 H SER 88 H SER 88 1.457 0.711 -3.583 352 HA SER 88 HA SER 88 2.317 3.379 -3.025 353 HB2 SER 88 1HB SER 88 0.039 2.390 -2.453 354 HB3 SER 88 2HB SER 88 0.798 1.630 -1.048 355 HG SER 88 HG SER 88 1.101 4.404 -1.577 356 H LEU 89 H LEU 89 2.850 0.298 -1.343 357 HA LEU 89 HA LEU 89 4.663 1.081 0.674 358 HB2 LEU 89 1HB LEU 89 4.516 -1.510 -0.923 359 HB3 LEU 89 2HB LEU 89 5.417 -1.287 0.572 360 HG LEU 89 HG LEU 89 2.417 -0.868 0.450 361 HD11 LEU 89 1HD1 LEU 89 4.023 -3.364 1.012 362 HD12 LEU 89 2HD1 LEU 89 2.781 -3.146 -0.200 363 HD13 LEU 89 3HD1 LEU 89 2.323 -3.139 1.508 364 HD21 LEU 89 3HD2 LEU 89 3.508 0.151 2.336 365 HD22 LEU 89 1HD2 LEU 89 4.331 -1.357 2.745 366 HD23 LEU 89 2HD2 LEU 89 2.568 -1.261 2.838 367 H GLU 90 H GLU 90 5.250 0.373 -2.856 368 HA GLU 90 HA GLU 90 8.130 0.352 -2.540 369 HB2 GLU 90 1HB GLU 90 6.275 0.743 -4.919 370 HB3 GLU 90 2HB GLU 90 8.016 0.969 -5.052 371 HG2 GLU 90 1HG GLU 90 8.384 -1.347 -4.217 372 HG3 GLU 90 2HG GLU 90 6.637 -1.599 -4.183 373 H ASN 91 H ASN 91 5.679 2.874 -3.141 374 HA ASN 91 HA ASN 91 7.728 4.926 -3.604 375 HB2 ASN 91 1HB ASN 91 4.711 5.014 -3.315 376 HB3 ASN 91 2HB ASN 91 5.690 6.483 -3.310 377 HD21 ASN 91 2HD2 ASN 91 4.911 3.565 -5.306 378 HD22 ASN 91 1HD2 ASN 91 5.494 4.294 -6.790 379 H THR 92 H THR 92 5.443 4.291 -0.844 380 HA THR 92 HA THR 92 6.504 6.353 0.799 381 HB THR 92 HB THR 92 5.073 5.312 2.501 382 HG1 THR 92 1HG THR 92 3.951 3.329 1.793 383 HG21 THR 92 3HG2 THR 92 2.921 5.239 1.423 384 HG22 THR 92 1HG2 THR 92 3.674 5.196 -0.181 385 HG23 THR 92 2HG2 THR 92 3.869 6.628 0.852 386 H GLY 93 H GLY 93 7.157 2.858 0.529 387 HA2 GLY 93 1HA GLY 93 9.072 1.710 0.943 388 HA3 GLY 93 2HA GLY 93 9.787 3.092 1.745 389 H SER 94 H SER 94 6.790 2.855 3.203 390 HA SER 94 HA SER 94 7.399 0.625 5.038 391 HB2 SER 94 1HB SER 94 7.098 3.513 5.916 392 HB3 SER 94 2HB SER 94 7.014 2.094 6.975 393 HG SER 94 HG SER 94 9.059 2.524 7.132 394 H VAL 95 H VAL 95 5.705 -0.222 5.981 395 HA VAL 95 HA VAL 95 3.104 -0.117 4.788 396 HB VAL 95 HB VAL 95 4.211 -1.294 7.369 397 HG11 VAL 95 1HG1 VAL 95 2.369 -2.499 7.839 398 HG12 VAL 95 2HG1 VAL 95 1.675 -0.930 7.537 399 HG13 VAL 95 3HG1 VAL 95 1.554 -2.197 6.296 400 HG21 VAL 95 3HG2 VAL 95 4.136 -3.400 6.202 401 HG22 VAL 95 1HG2 VAL 95 3.412 -2.615 4.770 402 HG23 VAL 95 2HG2 VAL 95 5.076 -2.229 5.261 403 H GLU 96 H GLU 96 4.430 1.054 7.901 404 HA GLU 96 HA GLU 96 2.152 2.086 9.003 405 HB2 GLU 96 1HB GLU 96 3.607 3.230 10.483 406 HB3 GLU 96 2HB GLU 96 4.487 1.786 9.943 407 HG2 GLU 96 1HG GLU 96 5.686 3.224 8.258 408 HG3 GLU 96 2HG GLU 96 4.923 4.632 8.998 409 H GLU 97 H GLU 97 4.359 3.825 6.800 410 HA GLU 97 HA GLU 97 2.906 6.264 6.805 411 HB2 GLU 97 1HB GLU 97 5.263 5.858 5.981 412 HB3 GLU 97 2HB GLU 97 4.612 5.023 4.585 413 HG2 GLU 97 1HG GLU 97 5.243 7.336 4.033 414 HG3 GLU 97 2HG GLU 97 3.514 7.079 3.809 415 H THR 98 H THR 98 2.632 3.363 4.841 416 HA THR 98 HA THR 98 0.737 4.278 2.958 417 HB THR 98 HB THR 98 1.213 1.445 3.892 418 HG1 THR 98 1HG THR 98 3.196 2.263 3.313 419 HG21 THR 98 3HG2 THR 98 0.274 2.658 1.272 420 HG22 THR 98 1HG2 THR 98 -0.712 1.753 2.434 421 HG23 THR 98 2HG2 THR 98 0.598 0.929 1.544 422 H VAL 99 H VAL 99 0.413 2.842 6.149 423 HA VAL 99 HA VAL 99 -2.480 2.600 6.050 424 HB VAL 99 HB VAL 99 -0.443 2.535 8.322 425 HG11 VAL 99 1HG1 VAL 99 -2.297 1.481 9.670 426 HG12 VAL 99 2HG1 VAL 99 -2.480 3.219 9.369 427 HG13 VAL 99 3HG1 VAL 99 -3.433 2.060 8.428 428 HG21 VAL 99 3HG2 VAL 99 -0.426 0.632 6.633 429 HG22 VAL 99 1HG2 VAL 99 -0.718 0.166 8.308 430 HG23 VAL 99 2HG2 VAL 99 -2.064 0.237 7.152 431 H GLU 100 H GLU 100 -0.139 5.035 7.303 432 HA GLU 100 HA GLU 100 -2.028 6.774 8.500 433 HB2 GLU 100 1HB GLU 100 0.760 7.276 7.378 434 HB3 GLU 100 2HB GLU 100 -0.171 8.515 8.167 435 HG2 GLU 100 1HG GLU 100 1.071 6.073 9.405 436 HG3 GLU 100 2HG GLU 100 1.280 7.753 9.819 437 H ARG 101 H ARG 101 -0.945 6.528 5.144 438 HA ARG 101 HA ARG 101 -2.350 9.010 4.400 439 HB2 ARG 101 1HB ARG 101 -1.627 8.457 2.108 440 HB3 ARG 101 2HB ARG 101 -0.275 8.439 3.251 441 HG2 ARG 101 1HG ARG 101 -0.623 5.937 3.398 442 HG3 ARG 101 2HG ARG 101 -1.742 6.068 2.078 443 HD2 ARG 101 1HD ARG 101 1.225 6.543 2.155 444 HD3 ARG 101 2HD ARG 101 0.380 5.311 1.192 445 HE ARG 101 HE ARG 101 0.622 8.157 0.750 446 HH11 ARG 101 1HH1 ARG 101 -0.694 5.091 -0.633 447 HH12 ARG 101 2HH1 ARG 101 -1.595 5.923 -1.856 448 HH21 ARG 101 1HH2 ARG 101 -0.717 9.129 -0.936 449 HH22 ARG 101 2HH2 ARG 101 -1.378 8.133 -2.194 450 H TYR 102 H TYR 102 -2.884 5.507 4.175 451 HA TYR 102 HA TYR 102 -5.256 5.528 2.603 452 HB2 TYR 102 2HB TYR 102 -4.488 3.444 2.894 453 HB3 TYR 102 3HB TYR 102 -4.046 3.648 4.585 454 HD1 TYR 102 1HD TYR 102 -6.978 3.119 2.300 455 HD2 TYR 102 2HD TYR 102 -5.511 3.075 6.362 456 HE1 TYR 102 1HE TYR 102 -9.051 1.995 3.038 457 HE2 TYR 102 2HE TYR 102 -7.549 1.919 7.098 458 HH TYR 102 HH TYR 102 -9.721 1.306 6.464 459 H LEU 103 H LEU 103 -5.020 5.614 6.179 460 HA LEU 103 HA LEU 103 -7.801 5.887 6.594 461 HB2 LEU 103 1HB LEU 103 -7.242 6.555 8.860 462 HB3 LEU 103 2HB LEU 103 -6.357 5.139 8.321 463 HG LEU 103 HG LEU 103 -4.420 6.855 7.807 464 HD11 LEU 103 1HD1 LEU 103 -5.570 8.985 8.264 465 HD12 LEU 103 2HD1 LEU 103 -4.367 8.706 9.509 466 HD13 LEU 103 3HD1 LEU 103 -6.075 8.401 9.860 467 HD21 LEU 103 3HD2 LEU 103 -5.236 6.114 10.633 468 HD22 LEU 103 1HD2 LEU 103 -3.597 6.564 10.134 469 HD23 LEU 103 2HD2 LEU 103 -4.326 5.079 9.507 470 H ARG 104 H ARG 104 -5.584 8.253 5.446 471 HA ARG 104 HA ARG 104 -7.312 10.506 6.279 472 HB2 ARG 104 1HB ARG 104 -5.545 11.843 5.899 473 HB3 ARG 104 2HB ARG 104 -4.595 10.367 5.880 474 HG2 ARG 104 1HG ARG 104 -5.007 10.390 3.319 475 HG3 ARG 104 2HG ARG 104 -5.617 12.003 3.517 476 HD2 ARG 104 1HD ARG 104 -2.845 11.087 4.328 477 HD3 ARG 104 2HD ARG 104 -3.240 11.913 2.809 478 HE ARG 104 HE ARG 104 -4.220 13.668 4.565 479 HH11 ARG 104 1HH1 ARG 104 -1.030 12.218 4.018 480 HH12 ARG 104 2HH1 ARG 104 -0.191 13.394 4.960 481 HH21 ARG 104 1HH2 ARG 104 -3.029 15.256 5.909 482 HH22 ARG 104 2HH2 ARG 104 -1.281 15.139 5.891 483 H GLY 105 H GLY 105 -7.242 8.211 3.702 484 HA2 GLY 105 1HA GLY 105 -8.733 8.120 1.897 485 HA3 GLY 105 2HA GLY 105 -9.282 9.767 2.255 486 H ASP 106 H ASP 106 -5.894 8.618 1.780 487 HA ASP 106 HA ASP 106 -5.415 10.821 -0.043 488 HB2 ASP 106 1HB ASP 106 -3.720 9.878 1.666 489 HB3 ASP 106 2HB ASP 106 -3.457 8.584 0.499 490 H GLU 107 H GLU 107 -4.070 10.238 -2.103 491 HA GLU 107 HA GLU 107 -5.766 8.600 -3.825 492 HB2 GLU 107 1HB GLU 107 -3.201 10.144 -4.394 493 HB3 GLU 107 2HB GLU 107 -4.301 9.429 -5.599 494 HG2 GLU 107 1HG GLU 107 -6.144 10.859 -4.698 495 HG3 GLU 107 2HG GLU 107 -4.986 11.650 -3.634 496 H PHE 108 H PHE 108 -5.418 6.607 -4.513 497 HA PHE 108 HA PHE 108 -2.742 5.334 -4.076 498 HB2 PHE 108 2HB PHE 108 -5.456 4.243 -3.324 499 HB3 PHE 108 3HB PHE 108 -4.142 3.184 -3.772 500 HD1 PHE 108 2HD PHE 108 -4.903 5.967 -1.373 501 HD2 PHE 108 1HD PHE 108 -2.652 2.382 -2.176 502 HE1 PHE 108 2HE PHE 108 -4.050 5.996 0.928 503 HE2 PHE 108 1HE PHE 108 -1.859 2.355 0.165 504 HZ PHE 108 HZ PHE 108 -2.557 4.158 1.741 505 H SER 109 H SER 109 -2.023 5.100 -5.979 506 HA SER 109 HA SER 109 -3.746 4.418 -8.299 507 HB2 SER 109 1HB SER 109 -0.831 5.309 -8.234 508 HB3 SER 109 2HB SER 109 -1.848 5.134 -9.677 509 HG SER 109 HG SER 109 -3.285 6.705 -8.721 510 H PHE 110 H PHE 110 -2.361 2.942 -9.938 511 HA PHE 110 HA PHE 110 -1.712 0.465 -8.420 512 HB2 PHE 110 2HB PHE 110 -2.947 1.048 -11.121 513 HB3 PHE 110 3HB PHE 110 -2.259 -0.511 -10.761 514 HD1 PHE 110 1HD PHE 110 -4.960 1.897 -9.587 515 HD2 PHE 110 2HD PHE 110 -3.378 -2.136 -9.448 516 HE1 PHE 110 1HE PHE 110 -7.097 1.076 -8.709 517 HE2 PHE 110 2HE PHE 110 -5.510 -2.923 -8.508 518 HZ PHE 110 HZ PHE 110 -7.388 -1.335 -8.172 519 HA PRO 111 HA PRO 111 2.405 0.655 -9.884 520 HB2 PRO 111 2HB PRO 111 3.121 -1.989 -10.356 521 HB3 PRO 111 3HB PRO 111 2.911 -1.306 -8.728 522 HG2 PRO 111 2HG PRO 111 0.961 -2.911 -10.389 523 HG3 PRO 111 3HG PRO 111 1.334 -3.065 -8.643 524 HD2 PRO 111 2HD PRO 111 -0.868 -1.734 -9.611 525 HD3 PRO 111 3HD PRO 111 -0.054 -1.235 -8.106 526 HA PRO 112 HA PRO 112 2.714 0.741 -14.240 527 HB2 PRO 112 2HB PRO 112 5.318 -0.013 -14.730 528 HB3 PRO 112 3HB PRO 112 4.854 1.593 -14.088 529 HG2 PRO 112 2HG PRO 112 5.824 -0.819 -12.546 530 HG3 PRO 112 3HG PRO 112 6.340 0.895 -12.390 531 HD2 PRO 112 2HD PRO 112 4.527 -0.145 -10.701 532 HD3 PRO 112 3HD PRO 112 4.298 1.507 -11.344 533 H GLY 113 H GLY 113 2.086 -0.606 -15.818 534 HA2 GLY 113 1HA GLY 113 2.135 -2.575 -17.127 535 HA3 GLY 113 2HA GLY 113 2.819 -3.479 -15.778 536 H PHE 114 H PHE 114 0.451 -1.861 -14.165 537 HA PHE 114 HA PHE 114 -1.371 -4.140 -14.289 538 HB2 PHE 114 2HB PHE 114 -0.848 -2.896 -12.202 539 HB3 PHE 114 3HB PHE 114 -1.594 -1.455 -12.880 540 HD1 PHE 114 2HD PHE 114 -2.249 -4.906 -11.678 541 HD2 PHE 114 1HD PHE 114 -4.020 -1.203 -12.952 542 HE1 PHE 114 2HE PHE 114 -4.425 -5.652 -10.757 543 HE2 PHE 114 1HE PHE 114 -6.213 -1.944 -12.057 544 HZ PHE 114 HZ PHE 114 -6.428 -4.154 -10.945 545 H GLU 115 H GLU 115 -1.224 -0.939 -15.736 546 HA GLU 115 HA GLU 115 -4.048 -1.077 -16.619 547 HB2 GLU 115 1HB GLU 115 -1.963 1.145 -16.743 548 HB3 GLU 115 2HB GLU 115 -3.596 1.254 -17.420 549 HG2 GLU 115 1HG GLU 115 -4.564 0.860 -15.169 550 HG3 GLU 115 2HG GLU 115 -2.936 0.835 -14.472 Start of MODEL 15 1 H1 GLY 41 H GLY 41 13.329 -6.579 34.450 2 HA2 GLY 41 1HA GLY 41 14.830 -7.738 36.739 3 HA3 GLY 41 2HA GLY 41 13.463 -8.513 35.893 4 H ALA 42 H ALA 42 14.856 -10.370 35.276 5 HA ALA 42 HA ALA 42 17.322 -10.014 33.865 6 HB1 ALA 42 3HB ALA 42 17.032 -12.393 33.270 7 HB2 ALA 42 1HB ALA 42 16.698 -12.129 34.990 8 HB3 ALA 42 2HB ALA 42 15.354 -12.351 33.840 9 H MET 43 H MET 43 13.934 -9.992 32.845 10 HA MET 43 HA MET 43 14.641 -9.981 29.969 11 HB2 MET 43 1HB MET 43 11.987 -10.025 31.458 12 HB3 MET 43 2HB MET 43 12.168 -10.008 29.709 13 HG2 MET 43 1HG MET 43 13.299 -12.181 29.784 14 HG3 MET 43 2HG MET 43 13.259 -12.189 31.545 15 HE1 MET 43 3HE MET 43 10.378 -11.320 32.441 16 HE2 MET 43 1HE MET 43 9.568 -12.894 32.453 17 HE3 MET 43 2HE MET 43 11.242 -12.754 33.028 18 H GLY 44 H GLY 44 15.815 -7.981 30.089 19 HA2 GLY 44 1HA GLY 44 14.387 -5.668 29.570 20 HA3 GLY 44 2HA GLY 44 14.753 -5.590 31.290 21 HA PRO 45 HA PRO 45 19.091 -5.504 29.310 22 HB2 PRO 45 2HB PRO 45 19.482 -5.668 26.610 23 HB3 PRO 45 3HB PRO 45 19.245 -7.124 27.625 24 HG2 PRO 45 2HG PRO 45 17.176 -5.662 25.959 25 HG3 PRO 45 3HG PRO 45 17.498 -7.421 26.035 26 HD2 PRO 45 2HD PRO 45 15.508 -6.199 27.484 27 HD3 PRO 45 3HD PRO 45 16.387 -7.636 28.077 28 H GLN 46 H GLN 46 20.324 -3.654 28.420 29 HA GLN 46 HA GLN 46 18.984 -1.179 28.591 30 HB2 GLN 46 1HB GLN 46 21.648 -1.893 27.301 31 HB3 GLN 46 2HB GLN 46 21.139 -0.251 27.693 32 HG2 GLN 46 1HG GLN 46 21.081 -0.828 30.099 33 HG3 GLN 46 2HG GLN 46 21.616 -2.477 29.724 34 HE21 GLN 46 2HE2 GLN 46 22.866 0.368 30.902 35 HE22 GLN 46 1HE2 GLN 46 24.478 0.218 30.218 36 H GLY 47 H GLY 47 18.658 0.510 26.975 37 HA2 GLY 47 1HA GLY 47 18.032 -0.523 24.262 38 HA3 GLY 47 2HA GLY 47 17.260 0.839 25.083 39 H SER 48 H SER 48 17.823 1.792 22.903 40 HA SER 48 HA SER 48 20.286 3.361 23.109 41 HB2 SER 48 1HB SER 48 19.538 1.767 20.631 42 HB3 SER 48 2HB SER 48 20.926 2.841 20.801 43 HG SER 48 HG SER 48 21.143 0.452 21.044 44 H THR 49 H THR 49 20.206 4.915 21.069 45 HA THR 49 HA THR 49 17.454 5.908 20.571 46 HB THR 49 HB THR 49 18.763 8.199 20.630 47 HG1 THR 49 1HG THR 49 20.331 7.584 22.599 48 HG21 THR 49 3HG2 THR 49 16.994 7.515 22.220 49 HG22 THR 49 1HG2 THR 49 18.280 8.405 23.027 50 HG23 THR 49 2HG2 THR 49 18.189 6.635 23.197 51 H GLN 50 H GLN 50 19.919 4.415 19.150 52 HA GLN 50 HA GLN 50 20.701 5.850 16.899 53 HB2 GLN 50 1HB GLN 50 21.298 3.632 15.972 54 HB3 GLN 50 2HB GLN 50 21.953 3.967 17.569 55 HG2 GLN 50 1HG GLN 50 20.900 2.228 18.538 56 HG3 GLN 50 2HG GLN 50 19.359 2.574 17.761 57 HE21 GLN 50 2HE2 GLN 50 22.611 1.605 16.477 58 HE22 GLN 50 1HE2 GLN 50 22.009 0.186 15.668 59 H ASN 51 H ASN 51 18.785 6.889 16.231 60 HA ASN 51 HA ASN 51 16.589 5.436 14.953 61 HB2 ASN 51 1HB ASN 51 15.805 7.694 14.335 62 HB3 ASN 51 2HB ASN 51 16.124 7.563 16.054 63 HD21 ASN 51 2HD2 ASN 51 18.070 8.654 16.975 64 HD22 ASN 51 1HD2 ASN 51 18.841 9.894 16.018 65 H ALA 52 H ALA 52 19.768 6.591 14.003 66 HA ALA 52 HA ALA 52 19.060 6.490 11.122 67 HB1 ALA 52 3HB ALA 52 21.639 7.301 12.527 68 HB2 ALA 52 1HB ALA 52 21.291 7.413 10.785 69 HB3 ALA 52 2HB ALA 52 20.382 8.417 11.927 70 H LEU 53 H LEU 53 19.513 4.665 10.018 71 HA LEU 53 HA LEU 53 21.500 2.725 11.067 72 HB2 LEU 53 1HB LEU 53 18.592 2.191 10.397 73 HB3 LEU 53 2HB LEU 53 19.793 0.918 10.268 74 HG LEU 53 HG LEU 53 19.237 2.458 12.834 75 HD11 LEU 53 1HD1 LEU 53 18.436 -0.355 11.983 76 HD12 LEU 53 2HD1 LEU 53 17.355 1.055 12.073 77 HD13 LEU 53 3HD1 LEU 53 18.097 0.432 13.552 78 HD21 LEU 53 3HD2 LEU 53 21.509 1.600 12.910 79 HD22 LEU 53 1HD2 LEU 53 21.005 0.038 12.207 80 HD23 LEU 53 2HD2 LEU 53 20.500 0.504 13.840 81 H ARG 54 H ARG 54 22.026 1.094 9.498 82 HA ARG 54 HA ARG 54 23.256 2.027 7.258 83 HB2 ARG 54 1HB ARG 54 22.170 -0.731 7.901 84 HB3 ARG 54 2HB ARG 54 23.023 -0.400 6.397 85 HG2 ARG 54 1HG ARG 54 24.604 -1.298 7.899 86 HG3 ARG 54 2HG ARG 54 25.010 0.399 7.659 87 HD2 ARG 54 1HD ARG 54 24.163 1.009 9.836 88 HD3 ARG 54 2HD ARG 54 23.407 -0.572 10.062 89 HE ARG 54 HE ARG 54 26.102 0.193 10.633 90 HH11 ARG 54 1HH1 ARG 54 24.110 -2.650 9.817 91 HH12 ARG 54 2HH1 ARG 54 25.250 -3.780 10.469 92 HH21 ARG 54 1HH2 ARG 54 27.497 -1.307 11.558 93 HH22 ARG 54 2HH2 ARG 54 27.332 -3.013 11.263 94 H ARG 55 H ARG 55 22.672 2.928 5.414 95 HA ARG 55 HA ARG 55 19.876 2.641 4.466 96 HB2 ARG 55 1HB ARG 55 22.080 4.603 3.804 97 HB3 ARG 55 2HB ARG 55 20.595 4.420 2.841 98 HG2 ARG 55 1HG ARG 55 19.277 4.763 5.002 99 HG3 ARG 55 2HG ARG 55 20.796 5.153 5.800 100 HD2 ARG 55 1HD ARG 55 19.621 7.192 5.163 101 HD3 ARG 55 2HD ARG 55 21.121 7.023 4.228 102 HE ARG 55 HE ARG 55 18.671 5.975 2.961 103 HH11 ARG 55 1HH1 ARG 55 20.575 8.920 3.417 104 HH12 ARG 55 2HH1 ARG 55 20.350 9.463 1.763 105 HH21 ARG 55 1HH2 ARG 55 18.238 6.765 0.920 106 HH22 ARG 55 2HH2 ARG 55 18.900 8.301 0.384 107 H THR 56 H THR 56 19.648 0.749 3.367 108 HA THR 56 HA THR 56 21.684 0.058 1.324 109 HB THR 56 HB THR 56 20.122 -2.016 2.867 110 HG1 THR 56 1HG THR 56 22.569 -0.885 3.776 111 HG21 THR 56 3HG2 THR 56 21.430 -2.707 0.889 112 HG22 THR 56 1HG2 THR 56 22.095 -3.416 2.372 113 HG23 THR 56 2HG2 THR 56 22.899 -2.020 1.617 114 H GLY 57 H GLY 57 20.718 -0.496 -0.681 115 HA2 GLY 57 1HA GLY 57 18.495 -1.603 -1.456 116 HA3 GLY 57 2HA GLY 57 17.785 -0.099 -0.839 117 H ARG 58 H ARG 58 17.331 -0.527 -3.393 118 HA ARG 58 HA ARG 58 19.208 1.246 -4.894 119 HB2 ARG 58 1HB ARG 58 17.522 -1.106 -5.864 120 HB3 ARG 58 2HB ARG 58 18.408 -0.037 -6.925 121 HG2 ARG 58 1HG ARG 58 19.578 -1.939 -4.872 122 HG3 ARG 58 2HG ARG 58 19.654 -2.075 -6.626 123 HD2 ARG 58 1HD ARG 58 21.119 -0.124 -4.824 124 HD3 ARG 58 2HD ARG 58 21.796 -1.353 -5.898 125 HE ARG 58 HE ARG 58 20.288 0.479 -7.472 126 HH11 ARG 58 1HH1 ARG 58 23.309 0.381 -5.631 127 HH12 ARG 58 2HH1 ARG 58 24.083 1.601 -6.597 128 HH21 ARG 58 1HH2 ARG 58 21.160 2.112 -8.608 129 HH22 ARG 58 2HH2 ARG 58 22.778 2.687 -8.404 130 H VAL 59 H VAL 59 17.924 2.066 -6.943 131 HA VAL 59 HA VAL 59 15.361 3.261 -6.030 132 HB VAL 59 HB VAL 59 16.103 5.178 -7.516 133 HG11 VAL 59 1HG1 VAL 59 16.170 5.291 -5.053 134 HG12 VAL 59 2HG1 VAL 59 17.807 4.596 -5.051 135 HG13 VAL 59 3HG1 VAL 59 17.513 6.184 -5.778 136 HG21 VAL 59 3HG2 VAL 59 18.470 5.500 -7.961 137 HG22 VAL 59 1HG2 VAL 59 18.889 3.943 -7.246 138 HG23 VAL 59 2HG2 VAL 59 17.944 4.020 -8.754 139 H ASN 60 H ASN 60 15.193 0.804 -7.042 140 HA ASN 60 HA ASN 60 14.871 0.875 -9.972 141 HB2 ASN 60 1HB ASN 60 14.348 -1.323 -7.935 142 HB3 ASN 60 2HB ASN 60 14.046 -1.472 -9.669 143 HD21 ASN 60 2HD2 ASN 60 16.280 -0.470 -11.000 144 HD22 ASN 60 1HD2 ASN 60 17.692 -1.271 -10.428 145 H GLY 61 H GLY 61 13.375 2.731 -9.744 146 HA2 GLY 61 1HA GLY 61 11.264 3.559 -10.075 147 HA3 GLY 61 2HA GLY 61 10.642 1.918 -10.053 148 H GLY 62 H GLY 62 11.958 1.811 -7.052 149 HA2 GLY 62 1HA GLY 62 10.522 3.634 -5.473 150 HA3 GLY 62 2HA GLY 62 9.691 2.056 -5.591 151 H HIS 63 H HIS 63 10.211 1.688 -3.469 152 HA HIS 63 HA HIS 63 12.997 1.102 -2.593 153 HB2 HIS 63 1HB HIS 63 10.402 1.666 -1.066 154 HB3 HIS 63 2HB HIS 63 11.878 1.100 -0.292 155 HD1 HIS 63 HD1 HIS 63 13.900 2.877 -0.018 156 HD2 HIS 63 HD2 HIS 63 10.418 4.240 -2.009 157 HE1 HIS 63 HE1 HIS 63 14.275 5.307 -0.524 158 HA PRO 64 HA PRO 64 11.802 -3.164 -2.775 159 HB2 PRO 64 2HB PRO 64 13.354 -4.377 -0.864 160 HB3 PRO 64 3HB PRO 64 14.040 -3.682 -2.366 161 HG2 PRO 64 2HG PRO 64 13.908 -2.417 0.383 162 HG3 PRO 64 3HG PRO 64 15.304 -2.492 -0.731 163 HD2 PRO 64 2HD PRO 64 13.652 -0.312 -0.540 164 HD3 PRO 64 3HD PRO 64 14.407 -0.791 -2.094 165 H VAL 65 H VAL 65 10.236 -4.458 -1.942 166 HA VAL 65 HA VAL 65 9.338 -4.176 0.880 167 HB VAL 65 HB VAL 65 7.031 -4.027 0.226 168 HG11 VAL 65 1HG1 VAL 65 8.187 -1.874 0.512 169 HG12 VAL 65 2HG1 VAL 65 8.653 -1.864 -1.197 170 HG13 VAL 65 3HG1 VAL 65 6.961 -1.769 -0.766 171 HG21 VAL 65 3HG2 VAL 65 7.852 -3.705 -2.674 172 HG22 VAL 65 1HG2 VAL 65 7.238 -5.200 -2.014 173 HG23 VAL 65 2HG2 VAL 65 6.204 -3.741 -1.981 174 H THR 66 H THR 66 7.891 -5.973 1.513 175 HA THR 66 HA THR 66 8.511 -8.488 0.081 176 HB THR 66 HB THR 66 8.407 -9.357 2.573 177 HG1 THR 66 1HG THR 66 9.490 -7.673 3.885 178 HG21 THR 66 3HG2 THR 66 10.865 -9.008 2.778 179 HG22 THR 66 1HG2 THR 66 10.805 -7.764 1.519 180 HG23 THR 66 2HG2 THR 66 10.426 -9.452 1.127 181 H THR 67 H THR 67 6.825 -10.238 0.610 182 HA THR 67 HA THR 67 4.278 -9.457 -0.086 183 HB THR 67 HB THR 67 5.044 -11.866 1.578 184 HG1 THR 67 1HG THR 67 5.713 -12.787 -0.464 185 HG21 THR 67 3HG2 THR 67 2.687 -11.770 0.877 186 HG22 THR 67 1HG2 THR 67 3.515 -13.082 0.034 187 HG23 THR 67 2HG2 THR 67 3.169 -11.558 -0.819 188 H GLN 68 H GLN 68 5.695 -10.112 3.105 189 HA GLN 68 HA GLN 68 3.461 -9.966 4.736 190 HB2 GLN 68 1HB GLN 68 5.047 -9.560 6.558 191 HB3 GLN 68 2HB GLN 68 5.663 -10.760 5.422 192 HG2 GLN 68 1HG GLN 68 6.784 -8.547 4.317 193 HG3 GLN 68 2HG GLN 68 6.598 -7.930 5.935 194 HE21 GLN 68 2HE2 GLN 68 7.612 -11.133 4.443 195 HE22 GLN 68 1HE2 GLN 68 9.163 -11.122 5.241 196 H MET 69 H MET 69 5.304 -7.152 3.307 197 HA MET 69 HA MET 69 4.079 -5.252 5.080 198 HB2 MET 69 1HB MET 69 5.353 -5.072 2.319 199 HB3 MET 69 2HB MET 69 4.860 -3.661 3.266 200 HG2 MET 69 1HG MET 69 6.450 -4.213 5.024 201 HG3 MET 69 2HG MET 69 6.838 -5.742 4.244 202 HE1 MET 69 3HE MET 69 8.223 -1.542 2.759 203 HE2 MET 69 1HE MET 69 6.508 -2.005 2.775 204 HE3 MET 69 2HE MET 69 7.417 -1.869 4.298 205 H VAL 70 H VAL 70 3.251 -6.609 1.872 206 HA VAL 70 HA VAL 70 1.060 -4.936 1.298 207 HB VAL 70 HB VAL 70 1.298 -7.829 0.410 208 HG11 VAL 70 1HG1 VAL 70 -0.843 -6.672 -0.064 209 HG12 VAL 70 2HG1 VAL 70 0.055 -5.475 -1.027 210 HG13 VAL 70 3HG1 VAL 70 0.042 -7.181 -1.507 211 HG21 VAL 70 3HG2 VAL 70 2.602 -5.399 -0.850 212 HG22 VAL 70 1HG2 VAL 70 3.423 -6.771 -0.061 213 HG23 VAL 70 2HG2 VAL 70 2.516 -7.023 -1.553 214 H GLU 71 H GLU 71 1.086 -8.209 2.774 215 HA GLU 71 HA GLU 71 -1.714 -8.162 3.306 216 HB2 GLU 71 1HB GLU 71 -1.226 -9.813 5.144 217 HB3 GLU 71 2HB GLU 71 -0.839 -10.304 3.476 218 HG2 GLU 71 1HG GLU 71 1.432 -10.205 3.837 219 HG3 GLU 71 2HG GLU 71 1.248 -9.090 5.179 220 H THR 72 H THR 72 0.992 -6.848 5.277 221 HA THR 72 HA THR 72 -0.545 -6.305 7.602 222 HB THR 72 HB THR 72 1.640 -4.472 6.513 223 HG1 THR 72 1HG THR 72 1.817 -6.949 7.732 224 HG21 THR 72 3HG2 THR 72 1.943 -4.029 8.986 225 HG22 THR 72 1HG2 THR 72 0.495 -4.995 9.324 226 HG23 THR 72 2HG2 THR 72 0.363 -3.486 8.396 227 H VAL 73 H VAL 73 0.172 -3.871 4.968 228 HA VAL 73 HA VAL 73 -1.806 -2.041 5.766 229 HB VAL 73 HB VAL 73 -1.036 -2.748 2.929 230 HG11 VAL 73 1HG1 VAL 73 -1.682 -0.471 2.284 231 HG12 VAL 73 2HG1 VAL 73 -3.068 -1.285 2.991 232 HG13 VAL 73 3HG1 VAL 73 -2.161 -0.106 3.957 233 HG21 VAL 73 3HG2 VAL 73 0.168 -0.657 4.760 234 HG22 VAL 73 1HG2 VAL 73 0.939 -2.162 4.168 235 HG23 VAL 73 2HG2 VAL 73 0.530 -0.866 3.038 236 H GLN 74 H GLN 74 -2.201 -4.852 3.544 237 HA GLN 74 HA GLN 74 -4.881 -4.338 2.840 238 HB2 GLN 74 1HB GLN 74 -3.392 -6.143 1.815 239 HB3 GLN 74 2HB GLN 74 -3.716 -7.118 3.235 240 HG2 GLN 74 1HG GLN 74 -5.270 -7.895 1.683 241 HG3 GLN 74 2HG GLN 74 -6.228 -6.848 2.708 242 HE21 GLN 74 2HE2 GLN 74 -6.903 -4.633 1.787 243 HE22 GLN 74 1HE2 GLN 74 -7.000 -4.541 0.050 244 H ASN 75 H ASN 75 -3.701 -6.283 5.609 245 HA ASN 75 HA ASN 75 -6.244 -7.103 6.572 246 HB2 ASN 75 1HB ASN 75 -3.635 -6.524 8.070 247 HB3 ASN 75 2HB ASN 75 -5.068 -7.200 8.810 248 HD21 ASN 75 2HD2 ASN 75 -2.137 -8.155 7.571 249 HD22 ASN 75 1HD2 ASN 75 -2.577 -9.838 7.419 250 H LEU 76 H LEU 76 -4.294 -4.160 7.220 251 HA LEU 76 HA LEU 76 -6.346 -3.099 9.031 252 HB2 LEU 76 1HB LEU 76 -3.926 -1.654 7.958 253 HB3 LEU 76 2HB LEU 76 -4.914 -1.234 9.361 254 HG LEU 76 HG LEU 76 -2.980 -3.552 9.019 255 HD11 LEU 76 1HD1 LEU 76 -3.063 -1.283 11.024 256 HD12 LEU 76 2HD1 LEU 76 -2.018 -1.379 9.586 257 HD13 LEU 76 3HD1 LEU 76 -1.819 -2.548 10.893 258 HD21 LEU 76 3HD2 LEU 76 -3.458 -4.301 11.288 259 HD22 LEU 76 1HD2 LEU 76 -4.847 -4.534 10.248 260 HD23 LEU 76 2HD2 LEU 76 -4.826 -3.166 11.398 261 H ALA 77 H ALA 77 -5.841 -2.954 5.621 262 HA ALA 77 HA ALA 77 -8.014 -0.960 5.306 263 HB1 ALA 77 3HB ALA 77 -5.485 -1.183 3.622 264 HB2 ALA 77 1HB ALA 77 -6.918 -0.251 3.188 265 HB3 ALA 77 2HB ALA 77 -6.010 0.199 4.617 266 HA PRO 78 HA PRO 78 -8.993 -4.979 3.213 267 HB2 PRO 78 2HB PRO 78 -11.648 -5.125 3.923 268 HB3 PRO 78 3HB PRO 78 -10.308 -5.694 4.979 269 HG2 PRO 78 2HG PRO 78 -11.746 -3.026 5.081 270 HG3 PRO 78 3HG PRO 78 -11.394 -4.156 6.428 271 HD2 PRO 78 2HD PRO 78 -9.795 -2.021 5.923 272 HD3 PRO 78 3HD PRO 78 -9.096 -3.590 6.418 273 H ASN 79 H ASN 79 -10.128 -1.771 3.141 274 HA ASN 79 HA ASN 79 -11.973 -1.825 0.916 275 HB2 ASN 79 1HB ASN 79 -11.629 -0.174 2.970 276 HB3 ASN 79 2HB ASN 79 -10.433 0.581 1.933 277 HD21 ASN 79 2HD2 ASN 79 -11.661 0.585 -0.600 278 HD22 ASN 79 1HD2 ASN 79 -13.195 1.413 -0.482 279 H LEU 80 H LEU 80 -8.460 -1.667 1.174 280 HA LEU 80 HA LEU 80 -8.193 -0.343 -1.422 281 HB2 LEU 80 1HB LEU 80 -6.222 -1.415 0.621 282 HB3 LEU 80 2HB LEU 80 -5.690 -0.875 -0.960 283 HG LEU 80 HG LEU 80 -7.135 0.851 1.094 284 HD11 LEU 80 1HD1 LEU 80 -4.258 0.874 0.082 285 HD12 LEU 80 2HD1 LEU 80 -4.794 0.268 1.669 286 HD13 LEU 80 3HD1 LEU 80 -4.960 1.986 1.269 287 HD21 LEU 80 3HD2 LEU 80 -6.478 2.760 -0.418 288 HD22 LEU 80 1HD2 LEU 80 -7.721 1.723 -1.103 289 HD23 LEU 80 2HD2 LEU 80 -6.038 1.580 -1.665 290 H HIS 81 H HIS 81 -6.982 -1.119 -3.185 291 HA HIS 81 HA HIS 81 -7.682 -3.798 -3.971 292 HB2 HIS 81 1HB HIS 81 -7.553 -1.756 -5.444 293 HB3 HIS 81 2HB HIS 81 -5.820 -1.759 -5.220 294 HD2 HIS 81 HD2 HIS 81 -8.656 -3.405 -7.112 295 HE1 HIS 81 HE1 HIS 81 -5.075 -5.098 -8.657 296 HE2 HIS 81 HE2 HIS 81 -7.597 -4.893 -8.994 297 HA PRO 82 HA PRO 82 -4.013 -5.663 -2.309 298 HB2 PRO 82 2HB PRO 82 -3.634 -7.849 -3.928 299 HB3 PRO 82 3HB PRO 82 -4.933 -7.710 -2.720 300 HG2 PRO 82 2HG PRO 82 -5.102 -7.156 -5.688 301 HG3 PRO 82 3HG PRO 82 -6.228 -8.121 -4.674 302 HD2 PRO 82 2HD PRO 82 -6.687 -5.508 -5.324 303 HD3 PRO 82 3HD PRO 82 -7.184 -6.156 -3.727 304 H GLU 83 H GLU 83 -3.978 -4.734 -5.739 305 HA GLU 83 HA GLU 83 -1.061 -5.027 -5.848 306 HB2 GLU 83 1HB GLU 83 -3.201 -5.039 -7.731 307 HB3 GLU 83 2HB GLU 83 -2.297 -3.605 -8.080 308 HG2 GLU 83 1HG GLU 83 -1.445 -5.187 -9.463 309 HG3 GLU 83 2HG GLU 83 -0.201 -4.994 -8.207 310 H GLN 84 H GLN 84 -3.496 -2.394 -5.644 311 HA GLN 84 HA GLN 84 -1.766 -0.199 -5.912 312 HB2 GLN 84 1HB GLN 84 -4.209 -0.478 -4.110 313 HB3 GLN 84 2HB GLN 84 -3.359 1.025 -4.402 314 HG2 GLN 84 1HG GLN 84 -3.871 0.947 -6.806 315 HG3 GLN 84 2HG GLN 84 -4.731 -0.578 -6.597 316 HE21 GLN 84 2HE2 GLN 84 -4.733 2.809 -5.520 317 HE22 GLN 84 1HE2 GLN 84 -6.398 2.994 -5.294 318 H ILE 85 H ILE 85 -2.428 -2.256 -3.089 319 HA ILE 85 HA ILE 85 -1.092 -0.700 -1.143 320 HB ILE 85 HB ILE 85 -1.538 -3.693 -1.402 321 HG12 ILE 85 1HG1 ILE 85 -2.797 -1.671 0.518 322 HG13 ILE 85 2HG1 ILE 85 -3.496 -2.047 -1.056 323 HG21 ILE 85 1HG2 ILE 85 -0.867 -3.792 1.019 324 HG22 ILE 85 2HG2 ILE 85 0.463 -3.359 -0.023 325 HG23 ILE 85 3HG2 ILE 85 -0.337 -2.092 0.905 326 HD11 ILE 85 3HD1 ILE 85 -2.971 -4.076 1.139 327 HD12 ILE 85 1HD1 ILE 85 -4.542 -3.405 0.661 328 HD13 ILE 85 2HD1 ILE 85 -3.622 -4.444 -0.462 329 H ARG 86 H ARG 86 0.246 -3.562 -3.000 330 HA ARG 86 HA ARG 86 2.896 -3.272 -2.182 331 HB2 ARG 86 1HB ARG 86 2.229 -5.152 -3.530 332 HB3 ARG 86 2HB ARG 86 1.821 -4.127 -4.901 333 HG2 ARG 86 1HG ARG 86 4.630 -4.096 -3.745 334 HG3 ARG 86 2HG ARG 86 4.119 -5.418 -4.789 335 HD2 ARG 86 1HD ARG 86 4.352 -2.480 -5.593 336 HD3 ARG 86 2HD ARG 86 5.381 -3.778 -6.069 337 HE ARG 86 HE ARG 86 2.826 -3.094 -7.186 338 HH11 ARG 86 1HH1 ARG 86 5.370 -5.597 -6.910 339 HH12 ARG 86 2HH1 ARG 86 4.740 -6.511 -8.256 340 HH21 ARG 86 1HH2 ARG 86 1.811 -4.700 -8.696 341 HH22 ARG 86 2HH2 ARG 86 2.794 -6.036 -9.177 342 H TYR 87 H TYR 87 1.339 -1.607 -4.983 343 HA TYR 87 HA TYR 87 3.761 -0.303 -5.653 344 HB2 TYR 87 2HB TYR 87 1.563 -0.528 -6.991 345 HB3 TYR 87 3HB TYR 87 1.008 0.888 -6.127 346 HD1 TYR 87 2HD TYR 87 4.488 0.089 -7.529 347 HD2 TYR 87 1HD TYR 87 0.948 2.590 -7.781 348 HE1 TYR 87 2HE TYR 87 5.647 1.563 -9.030 349 HE2 TYR 87 1HE TYR 87 2.091 4.038 -9.371 350 HH TYR 87 HH TYR 87 5.582 3.929 -9.822 351 H SER 88 H SER 88 1.186 0.674 -3.456 352 HA SER 88 HA SER 88 2.247 3.309 -2.980 353 HB2 SER 88 1HB SER 88 -0.057 2.655 -2.346 354 HB3 SER 88 2HB SER 88 0.599 1.634 -1.048 355 HG SER 88 HG SER 88 1.706 3.638 -0.354 356 H LEU 89 H LEU 89 2.694 0.174 -1.262 357 HA LEU 89 HA LEU 89 4.483 0.985 0.749 358 HB2 LEU 89 1HB LEU 89 4.426 -1.611 -0.857 359 HB3 LEU 89 2HB LEU 89 5.356 -1.362 0.611 360 HG LEU 89 HG LEU 89 2.355 -1.088 0.536 361 HD11 LEU 89 1HD1 LEU 89 4.111 -3.469 1.127 362 HD12 LEU 89 2HD1 LEU 89 2.810 -3.326 -0.061 363 HD13 LEU 89 3HD1 LEU 89 2.411 -3.308 1.659 364 HD21 LEU 89 3HD2 LEU 89 3.300 0.085 2.368 365 HD22 LEU 89 1HD2 LEU 89 4.378 -1.270 2.772 366 HD23 LEU 89 2HD2 LEU 89 2.636 -1.431 2.979 367 H GLU 90 H GLU 90 5.157 0.072 -2.647 368 HA GLU 90 HA GLU 90 8.035 0.149 -2.378 369 HB2 GLU 90 1HB GLU 90 6.096 0.224 -4.735 370 HB3 GLU 90 2HB GLU 90 7.825 0.477 -4.948 371 HG2 GLU 90 1HG GLU 90 8.228 -1.706 -3.716 372 HG3 GLU 90 2HG GLU 90 6.488 -1.975 -3.726 373 H ASN 91 H ASN 91 5.563 2.545 -3.092 374 HA ASN 91 HA ASN 91 7.581 4.562 -3.813 375 HB2 ASN 91 1HB ASN 91 4.568 4.658 -3.599 376 HB3 ASN 91 2HB ASN 91 5.568 6.097 -3.754 377 HD21 ASN 91 2HD2 ASN 91 4.652 3.074 -5.394 378 HD22 ASN 91 1HD2 ASN 91 5.275 3.528 -6.974 379 H THR 92 H THR 92 5.401 4.094 -0.891 380 HA THR 92 HA THR 92 6.346 6.438 0.449 381 HB THR 92 HB THR 92 5.020 5.392 2.287 382 HG1 THR 92 1HG THR 92 3.973 3.371 1.777 383 HG21 THR 92 3HG2 THR 92 3.578 5.144 -0.383 384 HG22 THR 92 1HG2 THR 92 3.712 6.597 0.629 385 HG23 THR 92 2HG2 THR 92 2.842 5.172 1.234 386 H GLY 93 H GLY 93 7.017 2.964 0.588 387 HA2 GLY 93 1HA GLY 93 8.957 1.818 1.133 388 HA3 GLY 93 2HA GLY 93 9.741 3.282 1.658 389 H SER 94 H SER 94 6.644 3.124 3.090 390 HA SER 94 HA SER 94 7.493 1.487 5.402 391 HB2 SER 94 1HB SER 94 6.543 4.359 5.669 392 HB3 SER 94 2HB SER 94 7.007 3.235 6.973 393 HG SER 94 HG SER 94 8.708 4.710 6.428 394 H VAL 95 H VAL 95 5.865 0.184 6.080 395 HA VAL 95 HA VAL 95 3.311 0.120 4.775 396 HB VAL 95 HB VAL 95 4.284 -1.157 7.361 397 HG11 VAL 95 1HG1 VAL 95 1.585 -1.671 6.186 398 HG12 VAL 95 2HG1 VAL 95 2.391 -2.483 7.528 399 HG13 VAL 95 3HG1 VAL 95 1.918 -0.809 7.701 400 HG21 VAL 95 3HG2 VAL 95 4.263 -3.212 6.240 401 HG22 VAL 95 1HG2 VAL 95 3.528 -2.493 4.792 402 HG23 VAL 95 2HG2 VAL 95 5.203 -2.063 5.254 403 H GLU 96 H GLU 96 4.400 1.290 8.002 404 HA GLU 96 HA GLU 96 1.986 2.288 8.910 405 HB2 GLU 96 1HB GLU 96 3.289 3.598 10.442 406 HB3 GLU 96 2HB GLU 96 4.038 2.023 10.153 407 HG2 GLU 96 1HG GLU 96 5.545 3.288 8.457 408 HG3 GLU 96 2HG GLU 96 5.041 4.735 9.335 409 H GLU 97 H GLU 97 4.310 3.979 6.741 410 HA GLU 97 HA GLU 97 2.855 6.439 6.689 411 HB2 GLU 97 1HB GLU 97 5.103 6.335 5.757 412 HB3 GLU 97 2HB GLU 97 4.636 5.136 4.523 413 HG2 GLU 97 1HG GLU 97 3.427 6.618 3.254 414 HG3 GLU 97 2HG GLU 97 3.118 7.722 4.598 415 H THR 98 H THR 98 2.614 3.497 4.754 416 HA THR 98 HA THR 98 0.629 4.291 2.934 417 HB THR 98 HB THR 98 1.307 1.481 3.855 418 HG1 THR 98 1HG THR 98 3.199 2.375 3.259 419 HG21 THR 98 3HG2 THR 98 0.721 0.960 1.488 420 HG22 THR 98 1HG2 THR 98 0.149 2.637 1.311 421 HG23 THR 98 2HG2 THR 98 -0.644 1.551 2.459 422 H VAL 99 H VAL 99 0.378 2.795 6.134 423 HA VAL 99 HA VAL 99 -2.518 2.490 5.987 424 HB VAL 99 HB VAL 99 -0.712 2.475 8.437 425 HG11 VAL 99 1HG1 VAL 99 -2.571 1.102 9.434 426 HG12 VAL 99 2HG1 VAL 99 -3.081 2.749 9.047 427 HG13 VAL 99 3HG1 VAL 99 -3.547 1.401 7.989 428 HG21 VAL 99 3HG2 VAL 99 -0.101 0.669 6.769 429 HG22 VAL 99 1HG2 VAL 99 -0.681 0.057 8.304 430 HG23 VAL 99 2HG2 VAL 99 -1.739 0.049 6.886 431 H GLU 100 H GLU 100 -0.264 4.965 7.254 432 HA GLU 100 HA GLU 100 -2.253 6.581 8.505 433 HB2 GLU 100 1HB GLU 100 0.658 6.986 7.762 434 HB3 GLU 100 2HB GLU 100 -0.302 8.310 8.406 435 HG2 GLU 100 1HG GLU 100 -1.012 6.714 10.306 436 HG3 GLU 100 2HG GLU 100 0.260 5.650 9.783 437 H ARG 101 H ARG 101 -1.051 6.474 5.237 438 HA ARG 101 HA ARG 101 -2.448 8.973 4.528 439 HB2 ARG 101 1HB ARG 101 -1.705 8.497 2.234 440 HB3 ARG 101 2HB ARG 101 -0.374 8.494 3.395 441 HG2 ARG 101 1HG ARG 101 -0.718 5.936 3.421 442 HG3 ARG 101 2HG ARG 101 -1.705 6.161 2.016 443 HD2 ARG 101 1HD ARG 101 1.251 6.736 2.389 444 HD3 ARG 101 2HD ARG 101 0.523 5.547 1.304 445 HE ARG 101 HE ARG 101 0.537 8.475 1.125 446 HH11 ARG 101 1HH1 ARG 101 -0.118 5.382 -0.677 447 HH12 ARG 101 2HH1 ARG 101 -0.618 6.255 -2.077 448 HH21 ARG 101 1HH2 ARG 101 -0.264 9.492 -0.924 449 HH22 ARG 101 2HH2 ARG 101 -1.035 8.417 -2.049 450 H TYR 102 H TYR 102 -2.934 5.490 4.301 451 HA TYR 102 HA TYR 102 -5.259 5.417 2.651 452 HB2 TYR 102 2HB TYR 102 -4.352 3.368 3.093 453 HB3 TYR 102 3HB TYR 102 -4.096 3.659 4.801 454 HD1 TYR 102 1HD TYR 102 -6.845 3.189 2.311 455 HD2 TYR 102 2HD TYR 102 -5.630 2.935 6.437 456 HE1 TYR 102 1HE TYR 102 -8.923 1.976 2.834 457 HE2 TYR 102 2HE TYR 102 -7.714 1.743 6.995 458 HH TYR 102 HH TYR 102 -9.720 0.786 6.145 459 H LEU 103 H LEU 103 -5.099 5.434 6.281 460 HA LEU 103 HA LEU 103 -7.871 5.761 6.653 461 HB2 LEU 103 1HB LEU 103 -7.377 6.452 8.925 462 HB3 LEU 103 2HB LEU 103 -6.405 5.077 8.419 463 HG LEU 103 HG LEU 103 -4.566 6.871 7.882 464 HD11 LEU 103 1HD1 LEU 103 -6.283 8.402 9.907 465 HD12 LEU 103 2HD1 LEU 103 -5.769 8.995 8.313 466 HD13 LEU 103 3HD1 LEU 103 -4.578 8.763 9.566 467 HD21 LEU 103 3HD2 LEU 103 -3.718 6.640 10.192 468 HD22 LEU 103 1HD2 LEU 103 -4.393 5.119 9.563 469 HD23 LEU 103 2HD2 LEU 103 -5.317 6.116 10.725 470 H ARG 104 H ARG 104 -5.486 8.154 5.684 471 HA ARG 104 HA ARG 104 -7.300 10.365 6.295 472 HB2 ARG 104 1HB ARG 104 -5.552 11.723 6.127 473 HB3 ARG 104 2HB ARG 104 -4.632 10.260 6.300 474 HG2 ARG 104 1HG ARG 104 -3.539 10.887 4.428 475 HG3 ARG 104 2HG ARG 104 -4.955 10.365 3.541 476 HD2 ARG 104 1HD ARG 104 -5.005 12.428 2.715 477 HD3 ARG 104 2HD ARG 104 -5.759 12.868 4.265 478 HE ARG 104 HE ARG 104 -2.921 12.814 4.517 479 HH11 ARG 104 1HH1 ARG 104 -5.399 14.835 3.049 480 HH12 ARG 104 2HH1 ARG 104 -4.539 16.315 3.275 481 HH21 ARG 104 1HH2 ARG 104 -1.677 14.629 4.601 482 HH22 ARG 104 2HH2 ARG 104 -2.192 16.180 4.048 483 H GLY 105 H GLY 105 -7.180 8.105 3.789 484 HA2 GLY 105 1HA GLY 105 -8.586 7.954 1.970 485 HA3 GLY 105 2HA GLY 105 -9.141 9.610 2.267 486 H ASP 106 H ASP 106 -5.710 8.821 1.996 487 HA ASP 106 HA ASP 106 -5.353 10.797 -0.036 488 HB2 ASP 106 1HB ASP 106 -3.702 9.773 1.795 489 HB3 ASP 106 2HB ASP 106 -3.237 8.732 0.454 490 H GLU 107 H GLU 107 -3.879 10.163 -2.010 491 HA GLU 107 HA GLU 107 -5.503 8.440 -3.766 492 HB2 GLU 107 1HB GLU 107 -2.983 10.062 -4.334 493 HB3 GLU 107 2HB GLU 107 -4.036 9.289 -5.506 494 HG2 GLU 107 1HG GLU 107 -5.937 10.765 -4.575 495 HG3 GLU 107 2HG GLU 107 -4.660 11.661 -3.719 496 H PHE 108 H PHE 108 -4.933 6.615 -4.629 497 HA PHE 108 HA PHE 108 -2.293 5.389 -3.943 498 HB2 PHE 108 2HB PHE 108 -5.078 4.276 -3.510 499 HB3 PHE 108 3HB PHE 108 -3.697 3.232 -3.827 500 HD1 PHE 108 2HD PHE 108 -4.800 5.936 -1.405 501 HD2 PHE 108 1HD PHE 108 -2.403 2.411 -2.115 502 HE1 PHE 108 2HE PHE 108 -4.095 5.969 0.911 503 HE2 PHE 108 1HE PHE 108 -1.802 2.372 0.277 504 HZ PHE 108 HZ PHE 108 -2.599 4.189 1.797 505 H SER 109 H SER 109 -1.397 5.322 -5.870 506 HA SER 109 HA SER 109 -2.963 4.940 -8.322 507 HB2 SER 109 1HB SER 109 -0.791 6.400 -7.954 508 HB3 SER 109 2HB SER 109 0.084 4.868 -8.126 509 HG SER 109 HG SER 109 -0.108 6.125 -10.045 510 H PHE 110 H PHE 110 -2.046 3.371 -9.957 511 HA PHE 110 HA PHE 110 -1.800 0.675 -8.722 512 HB2 PHE 110 2HB PHE 110 -2.853 1.547 -11.430 513 HB3 PHE 110 3HB PHE 110 -2.408 -0.103 -11.135 514 HD1 PHE 110 1HD PHE 110 -4.574 2.591 -9.575 515 HD2 PHE 110 2HD PHE 110 -4.084 -1.662 -10.253 516 HE1 PHE 110 1HE PHE 110 -6.734 2.131 -8.508 517 HE2 PHE 110 2HE PHE 110 -6.311 -2.056 -9.362 518 HZ PHE 110 HZ PHE 110 -7.621 -0.205 -8.391 519 HA PRO 111 HA PRO 111 2.355 0.389 -10.008 520 HB2 PRO 111 2HB PRO 111 2.642 -2.327 -10.581 521 HB3 PRO 111 3HB PRO 111 2.607 -1.615 -8.939 522 HG2 PRO 111 2HG PRO 111 0.426 -2.984 -10.502 523 HG3 PRO 111 3HG PRO 111 0.776 -3.061 -8.741 524 HD2 PRO 111 2HD PRO 111 -1.187 -1.515 -9.857 525 HD3 PRO 111 3HD PRO 111 -0.367 -1.088 -8.321 526 HA PRO 112 HA PRO 112 2.996 0.618 -14.293 527 HB2 PRO 112 2HB PRO 112 5.431 -0.631 -14.753 528 HB3 PRO 112 3HB PRO 112 5.242 0.953 -13.942 529 HG2 PRO 112 2HG PRO 112 5.526 -1.758 -12.623 530 HG3 PRO 112 3HG PRO 112 6.445 -0.251 -12.281 531 HD2 PRO 112 2HD PRO 112 4.354 -0.885 -10.764 532 HD3 PRO 112 3HD PRO 112 4.541 0.802 -11.332 533 H GLY 113 H GLY 113 2.351 -0.387 -16.117 534 HA2 GLY 113 1HA GLY 113 1.872 -2.042 -17.637 535 HA3 GLY 113 2HA GLY 113 2.664 -3.241 -16.611 536 H PHE 114 H PHE 114 0.385 -1.614 -14.634 537 HA PHE 114 HA PHE 114 -1.373 -3.922 -14.662 538 HB2 PHE 114 2HB PHE 114 -0.809 -2.502 -12.654 539 HB3 PHE 114 3HB PHE 114 -1.706 -1.172 -13.389 540 HD1 PHE 114 1HD PHE 114 -4.200 -1.410 -13.757 541 HD2 PHE 114 2HD PHE 114 -1.906 -4.338 -11.579 542 HE1 PHE 114 1HE PHE 114 -6.308 -2.342 -12.775 543 HE2 PHE 114 2HE PHE 114 -3.973 -5.232 -10.577 544 HZ PHE 114 HZ PHE 114 -6.191 -4.221 -11.175 545 H GLU 115 H GLU 115 -1.272 -0.720 -16.067 546 HA GLU 115 HA GLU 115 -4.002 -0.509 -16.971 547 HB2 GLU 115 1HB GLU 115 -3.153 1.523 -18.028 548 HB3 GLU 115 2HB GLU 115 -2.476 1.385 -16.412 549 HG2 GLU 115 1HG GLU 115 -0.381 0.362 -17.494 550 HG3 GLU 115 2HG GLU 115 -1.075 0.738 -19.060 Start of MODEL 16 1 H1 GLY 41 H GLY 41 -1.245 24.503 24.807 2 HA2 GLY 41 1HA GLY 41 0.308 25.335 23.167 3 HA3 GLY 41 2HA GLY 41 -1.109 24.657 22.345 4 H ALA 42 H ALA 42 -2.126 25.945 20.915 5 HA ALA 42 HA ALA 42 -2.533 27.654 19.521 6 HB1 ALA 42 3HB ALA 42 -4.234 28.036 21.194 7 HB2 ALA 42 1HB ALA 42 -3.116 29.007 22.181 8 HB3 ALA 42 2HB ALA 42 -3.636 29.598 20.598 9 H MET 43 H MET 43 -0.153 27.557 19.010 10 HA MET 43 HA MET 43 1.144 30.187 19.613 11 HB2 MET 43 1HB MET 43 3.248 29.236 19.628 12 HB3 MET 43 2HB MET 43 2.261 28.113 20.569 13 HG2 MET 43 1HG MET 43 2.083 26.651 18.528 14 HG3 MET 43 2HG MET 43 3.107 27.808 17.661 15 HE1 MET 43 3HE MET 43 4.026 25.213 17.161 16 HE2 MET 43 1HE MET 43 5.129 26.579 16.878 17 HE3 MET 43 2HE MET 43 5.716 25.125 17.697 18 H GLY 44 H GLY 44 -0.536 28.733 17.236 19 HA2 GLY 44 1HA GLY 44 -0.671 28.826 14.958 20 HA3 GLY 44 2HA GLY 44 -0.225 30.510 15.239 21 HA PRO 45 HA PRO 45 3.991 28.451 14.125 22 HB2 PRO 45 2HB PRO 45 3.946 25.854 13.112 23 HB3 PRO 45 3HB PRO 45 4.278 26.310 14.805 24 HG2 PRO 45 2HG PRO 45 1.658 25.422 13.584 25 HG3 PRO 45 3HG PRO 45 2.403 24.904 15.132 26 HD2 PRO 45 2HD PRO 45 0.438 26.743 15.079 27 HD3 PRO 45 3HD PRO 45 1.816 26.910 16.198 28 H GLN 46 H GLN 46 1.081 27.781 12.225 29 HA GLN 46 HA GLN 46 2.499 27.941 9.653 30 HB2 GLN 46 1HB GLN 46 0.378 26.568 10.162 31 HB3 GLN 46 2HB GLN 46 -0.466 28.099 10.229 32 HG2 GLN 46 1HG GLN 46 -0.857 27.187 8.073 33 HG3 GLN 46 2HG GLN 46 0.220 28.532 7.826 34 HE21 GLN 46 2HE2 GLN 46 0.521 27.312 5.662 35 HE22 GLN 46 1HE2 GLN 46 1.758 26.087 5.643 36 H GLY 47 H GLY 47 1.230 30.222 12.006 37 HA2 GLY 47 1HA GLY 47 1.157 32.499 11.958 38 HA3 GLY 47 2HA GLY 47 1.891 32.477 10.333 39 H SER 48 H SER 48 0.515 32.721 8.558 40 HA SER 48 HA SER 48 -2.437 32.705 9.040 41 HB2 SER 48 1HB SER 48 -1.340 34.942 8.589 42 HB3 SER 48 2HB SER 48 -0.891 34.330 6.985 43 HG SER 48 HG SER 48 -2.832 34.943 6.415 44 H THR 49 H THR 49 -3.740 32.118 7.168 45 HA THR 49 HA THR 49 -2.817 29.740 5.796 46 HB THR 49 HB THR 49 -5.266 29.927 4.934 47 HG1 THR 49 1HG THR 49 -6.470 31.256 6.518 48 HG21 THR 49 3HG2 THR 49 -4.590 28.416 6.749 49 HG22 THR 49 1HG2 THR 49 -6.170 29.130 7.084 50 HG23 THR 49 2HG2 THR 49 -4.727 29.728 7.930 51 H GLN 50 H GLN 50 -1.134 31.504 4.983 52 HA GLN 50 HA GLN 50 -1.802 33.037 2.607 53 HB2 GLN 50 1HB GLN 50 0.631 32.277 4.250 54 HB3 GLN 50 2HB GLN 50 0.909 32.837 2.607 55 HG2 GLN 50 1HG GLN 50 -0.762 34.425 4.606 56 HG3 GLN 50 2HG GLN 50 0.980 34.640 4.394 57 HE21 GLN 50 2HE2 GLN 50 -2.105 35.574 3.142 58 HE22 GLN 50 1HE2 GLN 50 -1.542 36.185 1.573 59 H ASN 51 H ASN 51 -0.860 32.629 0.507 60 HA ASN 51 HA ASN 51 -1.311 29.991 -0.455 61 HB2 ASN 51 1HB ASN 51 -1.521 31.957 -1.924 62 HB3 ASN 51 2HB ASN 51 0.209 32.295 -1.760 63 HD21 ASN 51 2HD2 ASN 51 1.748 30.911 -2.892 64 HD22 ASN 51 1HD2 ASN 51 1.200 29.703 -4.049 65 H ALA 52 H ALA 52 -0.027 28.251 -0.400 66 HA ALA 52 HA ALA 52 2.887 28.463 -0.494 67 HB1 ALA 52 3HB ALA 52 2.434 28.524 1.937 68 HB2 ALA 52 1HB ALA 52 1.351 27.121 1.795 69 HB3 ALA 52 2HB ALA 52 3.089 26.938 1.489 70 H LEU 53 H LEU 53 3.762 26.198 -0.935 71 HA LEU 53 HA LEU 53 1.733 24.229 -1.773 72 HB2 LEU 53 1HB LEU 53 2.847 25.973 -3.651 73 HB3 LEU 53 2HB LEU 53 3.894 24.580 -3.774 74 HG LEU 53 HG LEU 53 2.106 24.529 -5.406 75 HD11 LEU 53 1HD1 LEU 53 1.437 22.336 -3.420 76 HD12 LEU 53 2HD1 LEU 53 2.904 22.344 -4.458 77 HD13 LEU 53 3HD1 LEU 53 1.287 22.315 -5.169 78 HD21 LEU 53 3HD2 LEU 53 0.048 24.372 -3.176 79 HD22 LEU 53 1HD2 LEU 53 -0.232 24.385 -4.921 80 HD23 LEU 53 2HD2 LEU 53 0.401 25.827 -4.118 81 H ARG 54 H ARG 54 2.805 22.112 -2.300 82 HA ARG 54 HA ARG 54 4.640 21.490 -0.177 83 HB2 ARG 54 1HB ARG 54 2.799 20.037 -1.098 84 HB3 ARG 54 2HB ARG 54 3.813 19.711 -2.506 85 HG2 ARG 54 1HG ARG 54 5.541 18.720 -1.027 86 HG3 ARG 54 2HG ARG 54 4.624 19.217 0.396 87 HD2 ARG 54 1HD ARG 54 4.330 16.838 -0.025 88 HD3 ARG 54 2HD ARG 54 2.795 17.710 -0.159 89 HE ARG 54 HE ARG 54 4.130 17.437 -2.718 90 HH11 ARG 54 1HH1 ARG 54 2.019 15.552 -0.403 91 HH12 ARG 54 2HH1 ARG 54 1.502 14.553 -1.713 92 HH21 ARG 54 1HH2 ARG 54 3.230 16.130 -4.277 93 HH22 ARG 54 2HH2 ARG 54 2.092 14.875 -3.854 94 H ARG 55 H ARG 55 6.777 21.605 -0.231 95 HA ARG 55 HA ARG 55 8.265 22.483 -2.558 96 HB2 ARG 55 1HB ARG 55 9.014 21.390 0.206 97 HB3 ARG 55 2HB ARG 55 10.230 21.758 -1.014 98 HG2 ARG 55 1HG ARG 55 10.220 23.623 0.386 99 HG3 ARG 55 2HG ARG 55 9.400 24.113 -1.084 100 HD2 ARG 55 1HD ARG 55 8.154 25.097 0.638 101 HD3 ARG 55 2HD ARG 55 7.189 23.728 0.173 102 HE ARG 55 HE ARG 55 7.805 22.580 2.201 103 HH11 ARG 55 1HH1 ARG 55 9.281 25.839 2.131 104 HH12 ARG 55 2HH1 ARG 55 9.523 25.838 3.860 105 HH21 ARG 55 1HH2 ARG 55 7.680 22.887 4.390 106 HH22 ARG 55 2HH2 ARG 55 8.276 24.352 5.125 107 H THR 56 H THR 56 9.783 21.122 -3.821 108 HA THR 56 HA THR 56 9.388 18.192 -3.471 109 HB THR 56 HB THR 56 9.674 19.445 -6.196 110 HG1 THR 56 1HG THR 56 7.908 20.388 -5.831 111 HG21 THR 56 3HG2 THR 56 9.941 17.013 -6.000 112 HG22 THR 56 1HG2 THR 56 8.459 17.419 -6.888 113 HG23 THR 56 2HG2 THR 56 8.359 16.888 -5.198 114 H GLY 57 H GLY 57 11.305 17.470 -2.783 115 HA2 GLY 57 1HA GLY 57 13.682 17.627 -4.275 116 HA3 GLY 57 2HA GLY 57 13.771 18.850 -2.984 117 H ARG 58 H ARG 58 12.211 15.642 -3.014 118 HA ARG 58 HA ARG 58 14.090 14.689 -0.921 119 HB2 ARG 58 1HB ARG 58 11.040 14.426 -0.927 120 HB3 ARG 58 2HB ARG 58 12.145 13.565 0.123 121 HG2 ARG 58 1HG ARG 58 11.767 15.189 1.603 122 HG3 ARG 58 2HG ARG 58 12.999 16.053 0.704 123 HD2 ARG 58 1HD ARG 58 11.164 17.530 1.109 124 HD3 ARG 58 2HD ARG 58 11.143 17.169 -0.622 125 HE ARG 58 HE ARG 58 9.464 15.267 0.341 126 HH11 ARG 58 1HH1 ARG 58 9.452 18.710 1.324 127 HH12 ARG 58 2HH1 ARG 58 7.753 18.663 1.701 128 HH21 ARG 58 1HH2 ARG 58 7.362 15.289 0.738 129 HH22 ARG 58 2HH2 ARG 58 6.510 16.643 1.369 130 H VAL 59 H VAL 59 13.703 12.295 -0.659 131 HA VAL 59 HA VAL 59 14.715 10.853 -2.707 132 HB VAL 59 HB VAL 59 12.835 9.711 -0.601 133 HG11 VAL 59 1HG1 VAL 59 14.432 7.839 -0.515 134 HG12 VAL 59 2HG1 VAL 59 13.858 8.046 -2.157 135 HG13 VAL 59 3HG1 VAL 59 15.468 8.636 -1.710 136 HG21 VAL 59 3HG2 VAL 59 14.189 11.237 0.683 137 HG22 VAL 59 1HG2 VAL 59 14.856 9.631 0.928 138 HG23 VAL 59 2HG2 VAL 59 15.659 10.750 -0.203 139 H ASN 60 H ASN 60 13.912 9.107 -4.008 140 HA ASN 60 HA ASN 60 11.513 9.779 -5.515 141 HB2 ASN 60 1HB ASN 60 13.303 7.288 -5.624 142 HB3 ASN 60 2HB ASN 60 12.158 7.786 -6.850 143 HD21 ASN 60 2HD2 ASN 60 12.697 10.515 -7.243 144 HD22 ASN 60 1HD2 ASN 60 14.415 10.671 -7.652 145 H GLY 61 H GLY 61 10.304 7.451 -6.128 146 HA2 GLY 61 1HA GLY 61 9.211 6.355 -3.574 147 HA3 GLY 61 2HA GLY 61 8.254 6.697 -5.035 148 H GLY 62 H GLY 62 11.386 4.997 -4.248 149 HA2 GLY 62 1HA GLY 62 10.406 2.552 -5.596 150 HA3 GLY 62 2HA GLY 62 11.884 3.333 -6.184 151 H HIS 63 H HIS 63 10.351 1.700 -3.463 152 HA HIS 63 HA HIS 63 13.009 1.146 -2.240 153 HB2 HIS 63 1HB HIS 63 10.290 1.559 -0.917 154 HB3 HIS 63 2HB HIS 63 11.747 1.017 -0.088 155 HD1 HIS 63 HD1 HIS 63 13.847 2.878 -0.009 156 HD2 HIS 63 HD2 HIS 63 9.979 4.166 -1.131 157 HE1 HIS 63 HE1 HIS 63 13.825 5.402 0.244 158 HA PRO 64 HA PRO 64 11.807 -3.083 -2.873 159 HB2 PRO 64 2HB PRO 64 13.255 -4.451 -1.016 160 HB3 PRO 64 3HB PRO 64 14.047 -3.540 -2.343 161 HG2 PRO 64 2HG PRO 64 13.577 -2.623 0.523 162 HG3 PRO 64 3HG PRO 64 15.086 -2.540 -0.429 163 HD2 PRO 64 2HD PRO 64 13.406 -0.414 -0.223 164 HD3 PRO 64 3HD PRO 64 14.310 -0.771 -1.726 165 H VAL 65 H VAL 65 10.083 -4.344 -2.265 166 HA VAL 65 HA VAL 65 9.147 -4.184 0.560 167 HB VAL 65 HB VAL 65 6.872 -3.974 -0.076 168 HG11 VAL 65 1HG1 VAL 65 6.915 -1.710 -1.053 169 HG12 VAL 65 2HG1 VAL 65 8.117 -1.891 0.235 170 HG13 VAL 65 3HG1 VAL 65 8.597 -1.878 -1.478 171 HG21 VAL 65 3HG2 VAL 65 7.760 -3.864 -2.981 172 HG22 VAL 65 1HG2 VAL 65 6.785 -5.140 -2.208 173 HG23 VAL 65 2HG2 VAL 65 6.133 -3.506 -2.367 174 H THR 66 H THR 66 7.738 -5.927 1.258 175 HA THR 66 HA THR 66 8.302 -8.487 -0.107 176 HB THR 66 HB THR 66 8.439 -9.274 2.445 177 HG1 THR 66 1HG THR 66 9.446 -6.623 2.584 178 HG21 THR 66 3HG2 THR 66 10.888 -9.110 2.277 179 HG22 THR 66 1HG2 THR 66 10.748 -7.809 1.058 180 HG23 THR 66 2HG2 THR 66 10.243 -9.456 0.671 181 H THR 67 H THR 67 6.814 -10.207 0.544 182 HA THR 67 HA THR 67 4.187 -9.642 0.124 183 HB THR 67 HB THR 67 5.485 -11.902 1.704 184 HG1 THR 67 1HG THR 67 5.566 -12.878 -0.395 185 HG21 THR 67 3HG2 THR 67 3.000 -12.041 1.894 186 HG22 THR 67 1HG2 THR 67 3.699 -13.379 0.968 187 HG23 THR 67 2HG2 THR 67 2.890 -12.064 0.123 188 H GLN 68 H GLN 68 5.773 -9.992 3.265 189 HA GLN 68 HA GLN 68 3.626 -9.781 5.014 190 HB2 GLN 68 1HB GLN 68 5.323 -9.189 6.687 191 HB3 GLN 68 2HB GLN 68 5.902 -10.459 5.624 192 HG2 GLN 68 1HG GLN 68 6.864 -8.191 4.324 193 HG3 GLN 68 2HG GLN 68 6.868 -7.645 5.988 194 HE21 GLN 68 2HE2 GLN 68 7.628 -10.915 4.575 195 HE22 GLN 68 1HE2 GLN 68 9.260 -10.941 5.161 196 H MET 69 H MET 69 5.346 -7.111 3.334 197 HA MET 69 HA MET 69 4.187 -5.060 5.015 198 HB2 MET 69 1HB MET 69 5.405 -4.991 2.233 199 HB3 MET 69 2HB MET 69 4.940 -3.562 3.167 200 HG2 MET 69 1HG MET 69 6.545 -4.113 4.913 201 HG3 MET 69 2HG MET 69 6.955 -5.624 4.105 202 HE1 MET 69 3HE MET 69 6.557 -1.797 2.835 203 HE2 MET 69 1HE MET 69 7.496 -1.827 4.348 204 HE3 MET 69 2HE MET 69 8.278 -1.394 2.816 205 H VAL 70 H VAL 70 3.355 -6.512 1.863 206 HA VAL 70 HA VAL 70 1.123 -4.900 1.303 207 HB VAL 70 HB VAL 70 1.472 -7.756 0.413 208 HG11 VAL 70 1HG1 VAL 70 0.158 -5.468 -1.018 209 HG12 VAL 70 2HG1 VAL 70 0.281 -7.155 -1.557 210 HG13 VAL 70 3HG1 VAL 70 -0.676 -6.765 -0.122 211 HG21 VAL 70 3HG2 VAL 70 2.808 -5.353 -0.819 212 HG22 VAL 70 1HG2 VAL 70 3.601 -6.738 -0.033 213 HG23 VAL 70 2HG2 VAL 70 2.722 -6.974 -1.536 214 H GLU 71 H GLU 71 1.235 -8.135 2.877 215 HA GLU 71 HA GLU 71 -1.586 -8.245 3.248 216 HB2 GLU 71 1HB GLU 71 -1.088 -9.919 5.073 217 HB3 GLU 71 2HB GLU 71 -0.547 -10.327 3.444 218 HG2 GLU 71 1HG GLU 71 1.640 -10.059 3.903 219 HG3 GLU 71 2HG GLU 71 1.385 -8.972 5.233 220 H THR 72 H THR 72 1.006 -6.925 5.468 221 HA THR 72 HA THR 72 -0.828 -6.417 7.583 222 HB THR 72 HB THR 72 1.625 -4.899 6.742 223 HG1 THR 72 1HG THR 72 1.194 -6.884 8.781 224 HG21 THR 72 3HG2 THR 72 0.341 -3.526 8.357 225 HG22 THR 72 1HG2 THR 72 1.798 -4.185 9.122 226 HG23 THR 72 2HG2 THR 72 0.203 -4.899 9.461 227 H VAL 73 H VAL 73 0.164 -4.034 4.923 228 HA VAL 73 HA VAL 73 -1.743 -2.114 5.751 229 HB VAL 73 HB VAL 73 -0.996 -2.786 2.891 230 HG11 VAL 73 1HG1 VAL 73 -1.639 -0.472 2.349 231 HG12 VAL 73 2HG1 VAL 73 -3.015 -1.339 3.014 232 HG13 VAL 73 3HG1 VAL 73 -2.130 -0.199 4.041 233 HG21 VAL 73 3HG2 VAL 73 0.588 -0.902 3.056 234 HG22 VAL 73 1HG2 VAL 73 0.270 -0.800 4.802 235 HG23 VAL 73 2HG2 VAL 73 0.999 -2.265 4.097 236 H GLN 74 H GLN 74 -2.181 -4.892 3.490 237 HA GLN 74 HA GLN 74 -4.871 -4.325 2.848 238 HB2 GLN 74 1HB GLN 74 -3.489 -6.067 1.714 239 HB3 GLN 74 2HB GLN 74 -3.624 -7.079 3.142 240 HG2 GLN 74 1HG GLN 74 -5.187 -7.955 1.649 241 HG3 GLN 74 2HG GLN 74 -6.140 -7.092 2.835 242 HE21 GLN 74 2HE2 GLN 74 -6.700 -4.561 1.990 243 HE22 GLN 74 1HE2 GLN 74 -7.074 -4.554 0.277 244 H ASN 75 H ASN 75 -3.647 -6.193 5.615 245 HA ASN 75 HA ASN 75 -6.124 -7.081 6.678 246 HB2 ASN 75 1HB ASN 75 -3.448 -6.414 8.001 247 HB3 ASN 75 2HB ASN 75 -4.787 -7.129 8.859 248 HD21 ASN 75 2HD2 ASN 75 -1.914 -8.068 7.694 249 HD22 ASN 75 1HD2 ASN 75 -2.367 -9.733 7.589 250 H LEU 76 H LEU 76 -4.340 -4.062 7.051 251 HA LEU 76 HA LEU 76 -6.253 -3.003 9.067 252 HB2 LEU 76 1HB LEU 76 -3.753 -1.739 7.895 253 HB3 LEU 76 2HB LEU 76 -4.623 -1.221 9.335 254 HG LEU 76 HG LEU 76 -3.172 -3.906 9.067 255 HD11 LEU 76 1HD1 LEU 76 -1.565 -2.132 9.039 256 HD12 LEU 76 2HD1 LEU 76 -1.497 -3.012 10.568 257 HD13 LEU 76 3HD1 LEU 76 -2.276 -1.408 10.501 258 HD21 LEU 76 3HD2 LEU 76 -3.434 -4.142 11.452 259 HD22 LEU 76 1HD2 LEU 76 -4.983 -4.121 10.619 260 HD23 LEU 76 2HD2 LEU 76 -4.442 -2.669 11.508 261 H ALA 77 H ALA 77 -5.834 -2.965 5.675 262 HA ALA 77 HA ALA 77 -7.815 -0.812 5.308 263 HB1 ALA 77 3HB ALA 77 -6.521 0.015 3.402 264 HB2 ALA 77 1HB ALA 77 -5.489 0.056 4.852 265 HB3 ALA 77 2HB ALA 77 -5.289 -1.221 3.639 266 HA PRO 78 HA PRO 78 -8.678 -4.936 3.228 267 HB2 PRO 78 2HB PRO 78 -11.276 -5.293 4.068 268 HB3 PRO 78 3HB PRO 78 -9.839 -5.810 4.993 269 HG2 PRO 78 2HG PRO 78 -11.439 -3.251 5.323 270 HG3 PRO 78 3HG PRO 78 -10.910 -4.401 6.597 271 HD2 PRO 78 2HD PRO 78 -9.515 -2.138 6.081 272 HD3 PRO 78 3HD PRO 78 -8.669 -3.673 6.456 273 H ASN 79 H ASN 79 -9.840 -1.733 3.057 274 HA ASN 79 HA ASN 79 -11.711 -2.195 0.838 275 HB2 ASN 79 1HB ASN 79 -11.811 -0.417 2.803 276 HB3 ASN 79 2HB ASN 79 -10.772 0.519 1.741 277 HD21 ASN 79 2HD2 ASN 79 -11.989 -0.151 -0.853 278 HD22 ASN 79 1HD2 ASN 79 -13.567 0.586 -0.800 279 H LEU 80 H LEU 80 -8.283 -1.831 1.153 280 HA LEU 80 HA LEU 80 -8.030 -0.423 -1.426 281 HB2 LEU 80 1HB LEU 80 -6.076 -1.449 0.668 282 HB3 LEU 80 2HB LEU 80 -5.534 -0.918 -0.913 283 HG LEU 80 HG LEU 80 -7.031 0.779 1.108 284 HD11 LEU 80 1HD1 LEU 80 -4.906 2.005 1.276 285 HD12 LEU 80 2HD1 LEU 80 -4.153 0.911 0.123 286 HD13 LEU 80 3HD1 LEU 80 -4.682 0.298 1.695 287 HD21 LEU 80 3HD2 LEU 80 -7.717 1.667 -0.993 288 HD22 LEU 80 1HD2 LEU 80 -6.116 1.466 -1.724 289 HD23 LEU 80 2HD2 LEU 80 -6.388 2.697 -0.472 290 H HIS 81 H HIS 81 -6.951 -1.227 -3.234 291 HA HIS 81 HA HIS 81 -7.535 -3.946 -3.857 292 HB2 HIS 81 1HB HIS 81 -7.502 -1.962 -5.445 293 HB3 HIS 81 2HB HIS 81 -5.762 -1.979 -5.344 294 HD2 HIS 81 HD2 HIS 81 -8.713 -3.755 -6.937 295 HE1 HIS 81 HE1 HIS 81 -5.234 -5.643 -8.471 296 HE2 HIS 81 HE2 HIS 81 -7.725 -5.478 -8.679 297 HA PRO 82 HA PRO 82 -3.793 -5.577 -2.146 298 HB2 PRO 82 2HB PRO 82 -3.532 -7.936 -3.479 299 HB3 PRO 82 3HB PRO 82 -4.747 -7.625 -2.209 300 HG2 PRO 82 2HG PRO 82 -5.108 -7.522 -5.207 301 HG3 PRO 82 3HG PRO 82 -6.188 -8.262 -3.975 302 HD2 PRO 82 2HD PRO 82 -6.579 -5.759 -5.041 303 HD3 PRO 82 3HD PRO 82 -7.067 -6.157 -3.371 304 H GLU 83 H GLU 83 -3.970 -4.963 -5.629 305 HA GLU 83 HA GLU 83 -1.114 -5.400 -5.976 306 HB2 GLU 83 1HB GLU 83 -3.247 -5.587 -7.695 307 HB3 GLU 83 2HB GLU 83 -2.865 -3.902 -7.929 308 HG2 GLU 83 1HG GLU 83 -1.775 -5.011 -9.671 309 HG3 GLU 83 2HG GLU 83 -0.507 -4.583 -8.521 310 H GLN 84 H GLN 84 -3.441 -2.663 -5.676 311 HA GLN 84 HA GLN 84 -1.583 -0.574 -6.254 312 HB2 GLN 84 1HB GLN 84 -3.966 -0.656 -4.403 313 HB3 GLN 84 2HB GLN 84 -3.087 0.828 -4.798 314 HG2 GLN 84 1HG GLN 84 -3.736 0.624 -7.150 315 HG3 GLN 84 2HG GLN 84 -4.564 -0.905 -6.799 316 HE21 GLN 84 2HE2 GLN 84 -4.440 2.493 -5.634 317 HE22 GLN 84 1HE2 GLN 84 -6.148 2.697 -5.414 318 H ILE 85 H ILE 85 -2.366 -2.290 -3.187 319 HA ILE 85 HA ILE 85 -0.941 -0.731 -1.383 320 HB ILE 85 HB ILE 85 -1.381 -3.733 -1.465 321 HG12 ILE 85 1HG1 ILE 85 -2.665 -1.678 0.393 322 HG13 ILE 85 2HG1 ILE 85 -3.364 -2.108 -1.156 323 HG21 ILE 85 1HG2 ILE 85 0.598 -3.319 -0.073 324 HG22 ILE 85 2HG2 ILE 85 -0.242 -2.035 0.806 325 HG23 ILE 85 3HG2 ILE 85 -0.746 -3.743 0.948 326 HD11 ILE 85 3HD1 ILE 85 -4.431 -3.514 0.435 327 HD12 ILE 85 1HD1 ILE 85 -3.281 -4.543 -0.457 328 HD13 ILE 85 2HD1 ILE 85 -2.878 -3.978 1.168 329 H ARG 86 H ARG 86 0.345 -3.633 -3.161 330 HA ARG 86 HA ARG 86 2.965 -3.533 -2.295 331 HB2 ARG 86 1HB ARG 86 1.968 -5.247 -3.732 332 HB3 ARG 86 2HB ARG 86 1.922 -4.143 -5.098 333 HG2 ARG 86 1HG ARG 86 4.507 -4.656 -3.644 334 HG3 ARG 86 2HG ARG 86 3.866 -5.888 -4.726 335 HD2 ARG 86 1HD ARG 86 4.867 -3.125 -5.440 336 HD3 ARG 86 2HD ARG 86 5.529 -4.677 -5.932 337 HE ARG 86 HE ARG 86 3.552 -3.143 -7.217 338 HH11 ARG 86 1HH1 ARG 86 4.175 -6.708 -6.593 339 HH12 ARG 86 2HH1 ARG 86 3.230 -7.132 -7.981 340 HH21 ARG 86 1HH2 ARG 86 2.489 -3.995 -9.198 341 HH22 ARG 86 2HH2 ARG 86 2.356 -5.716 -9.346 342 H TYR 87 H TYR 87 1.666 -1.726 -5.128 343 HA TYR 87 HA TYR 87 4.101 -0.358 -5.649 344 HB2 TYR 87 2HB TYR 87 1.951 -0.625 -7.061 345 HB3 TYR 87 3HB TYR 87 1.297 0.725 -6.184 346 HD1 TYR 87 2HD TYR 87 4.698 -0.010 -7.769 347 HD2 TYR 87 1HD TYR 87 1.351 2.715 -7.383 348 HE1 TYR 87 2HE TYR 87 5.784 1.562 -9.324 349 HE2 TYR 87 1HE TYR 87 2.437 4.274 -8.950 350 HH TYR 87 HH TYR 87 4.155 4.427 -10.577 351 H SER 88 H SER 88 1.420 0.383 -3.484 352 HA SER 88 HA SER 88 2.156 3.112 -2.896 353 HB2 SER 88 1HB SER 88 0.828 1.157 -0.965 354 HB3 SER 88 2HB SER 88 0.877 2.916 -0.843 355 HG SER 88 HG SER 88 -0.353 3.089 -2.649 356 H LEU 89 H LEU 89 2.909 0.036 -1.271 357 HA LEU 89 HA LEU 89 4.630 1.040 0.735 358 HB2 LEU 89 1HB LEU 89 4.674 -1.615 -0.748 359 HB3 LEU 89 2HB LEU 89 5.529 -1.292 0.763 360 HG LEU 89 HG LEU 89 2.500 -0.985 0.555 361 HD11 LEU 89 1HD1 LEU 89 2.901 -3.180 -0.166 362 HD12 LEU 89 2HD1 LEU 89 2.455 -3.273 1.540 363 HD13 LEU 89 3HD1 LEU 89 4.160 -3.465 1.032 364 HD21 LEU 89 3HD2 LEU 89 3.354 0.049 2.474 365 HD22 LEU 89 1HD2 LEU 89 4.463 -1.286 2.839 366 HD23 LEU 89 2HD2 LEU 89 2.719 -1.524 2.987 367 H GLU 90 H GLU 90 5.271 0.215 -2.700 368 HA GLU 90 HA GLU 90 8.158 0.366 -2.439 369 HB2 GLU 90 1HB GLU 90 6.258 0.619 -4.825 370 HB3 GLU 90 2HB GLU 90 7.992 0.803 -4.949 371 HG2 GLU 90 1HG GLU 90 8.181 -1.519 -3.838 372 HG3 GLU 90 2HG GLU 90 6.452 -1.682 -4.076 373 H ASN 91 H ASN 91 5.592 2.633 -3.011 374 HA ASN 91 HA ASN 91 7.306 4.888 -3.675 375 HB2 ASN 91 1HB ASN 91 4.333 4.534 -3.278 376 HB3 ASN 91 2HB ASN 91 5.033 6.137 -3.258 377 HD21 ASN 91 2HD2 ASN 91 4.895 3.162 -5.272 378 HD22 ASN 91 1HD2 ASN 91 5.180 3.979 -6.786 379 H THR 92 H THR 92 5.315 4.098 -0.703 380 HA THR 92 HA THR 92 6.122 6.474 0.671 381 HB THR 92 HB THR 92 4.800 5.366 2.463 382 HG1 THR 92 1HG THR 92 3.816 3.302 1.789 383 HG21 THR 92 3HG2 THR 92 3.455 5.106 -0.265 384 HG22 THR 92 1HG2 THR 92 3.510 6.559 0.755 385 HG23 THR 92 2HG2 THR 92 2.656 5.102 1.312 386 H GLY 93 H GLY 93 6.908 3.080 0.711 387 HA2 GLY 93 1HA GLY 93 9.051 2.110 1.029 388 HA3 GLY 93 2HA GLY 93 9.534 3.477 2.039 389 H SER 94 H SER 94 6.667 3.166 3.429 390 HA SER 94 HA SER 94 7.169 0.708 4.981 391 HB2 SER 94 1HB SER 94 7.196 3.552 5.982 392 HB3 SER 94 2HB SER 94 6.551 2.244 6.998 393 HG SER 94 HG SER 94 8.831 2.605 7.262 394 H VAL 95 H VAL 95 5.582 -0.065 6.053 395 HA VAL 95 HA VAL 95 2.955 -0.078 4.872 396 HB VAL 95 HB VAL 95 3.967 -1.112 7.544 397 HG11 VAL 95 1HG1 VAL 95 2.229 -2.457 7.839 398 HG12 VAL 95 2HG1 VAL 95 1.400 -1.013 7.283 399 HG13 VAL 95 3HG1 VAL 95 1.643 -2.387 6.174 400 HG21 VAL 95 3HG2 VAL 95 5.269 -2.080 5.751 401 HG22 VAL 95 1HG2 VAL 95 4.191 -3.284 6.476 402 HG23 VAL 95 2HG2 VAL 95 3.767 -2.552 4.907 403 H GLU 96 H GLU 96 4.289 1.189 7.933 404 HA GLU 96 HA GLU 96 1.998 2.189 9.105 405 HB2 GLU 96 1HB GLU 96 3.454 3.171 10.620 406 HB3 GLU 96 2HB GLU 96 4.357 1.822 9.943 407 HG2 GLU 96 1HG GLU 96 5.970 3.397 10.058 408 HG3 GLU 96 2HG GLU 96 5.483 3.502 8.373 409 H GLU 97 H GLU 97 4.227 3.980 6.927 410 HA GLU 97 HA GLU 97 2.667 6.333 6.837 411 HB2 GLU 97 1HB GLU 97 4.961 6.312 5.992 412 HB3 GLU 97 2HB GLU 97 4.555 5.156 4.706 413 HG2 GLU 97 1HG GLU 97 3.345 6.689 3.476 414 HG3 GLU 97 2HG GLU 97 3.037 7.758 4.852 415 H THR 98 H THR 98 2.531 3.420 4.829 416 HA THR 98 HA THR 98 0.635 4.311 2.943 417 HB THR 98 HB THR 98 1.162 1.473 3.872 418 HG1 THR 98 1HG THR 98 3.098 2.336 3.279 419 HG21 THR 98 3HG2 THR 98 0.169 2.621 1.239 420 HG22 THR 98 1HG2 THR 98 -0.772 1.645 2.379 421 HG23 THR 98 2HG2 THR 98 0.612 0.920 1.523 422 H VAL 99 H VAL 99 0.196 2.806 6.102 423 HA VAL 99 HA VAL 99 -2.701 2.573 5.818 424 HB VAL 99 HB VAL 99 -0.819 2.273 8.192 425 HG11 VAL 99 1HG1 VAL 99 -2.977 2.904 9.100 426 HG12 VAL 99 2HG1 VAL 99 -3.824 1.751 8.031 427 HG13 VAL 99 3HG1 VAL 99 -2.751 1.170 9.330 428 HG21 VAL 99 3HG2 VAL 99 -0.680 0.524 6.395 429 HG22 VAL 99 1HG2 VAL 99 -1.294 -0.115 7.918 430 HG23 VAL 99 2HG2 VAL 99 -2.416 0.220 6.580 431 H GLU 100 H GLU 100 -0.447 4.971 7.255 432 HA GLU 100 HA GLU 100 -2.446 6.580 8.504 433 HB2 GLU 100 1HB GLU 100 0.441 7.005 7.674 434 HB3 GLU 100 2HB GLU 100 -0.529 8.330 8.305 435 HG2 GLU 100 1HG GLU 100 -1.118 6.839 10.294 436 HG3 GLU 100 2HG GLU 100 0.114 5.713 9.731 437 H ARG 101 H ARG 101 -1.048 6.622 5.237 438 HA ARG 101 HA ARG 101 -2.499 9.062 4.538 439 HB2 ARG 101 1HB ARG 101 -1.595 8.691 2.324 440 HB3 ARG 101 2HB ARG 101 -0.330 8.538 3.552 441 HG2 ARG 101 1HG ARG 101 -0.786 6.016 3.422 442 HG3 ARG 101 2HG ARG 101 -1.747 6.350 2.022 443 HD2 ARG 101 1HD ARG 101 1.214 6.803 2.432 444 HD3 ARG 101 2HD ARG 101 0.459 5.616 1.353 445 HE ARG 101 HE ARG 101 0.477 8.544 1.009 446 HH11 ARG 101 1HH1 ARG 101 -0.248 5.356 -0.399 447 HH12 ARG 101 2HH1 ARG 101 -0.661 5.963 -1.948 448 HH21 ARG 101 1HH2 ARG 101 -0.474 9.359 -1.000 449 HH22 ARG 101 2HH2 ARG 101 -0.920 8.249 -2.190 450 H TYR 102 H TYR 102 -2.973 5.595 4.241 451 HA TYR 102 HA TYR 102 -5.217 5.597 2.464 452 HB2 TYR 102 2HB TYR 102 -4.330 3.585 2.840 453 HB3 TYR 102 3HB TYR 102 -4.195 3.738 4.583 454 HD1 TYR 102 1HD TYR 102 -6.811 3.564 1.889 455 HD2 TYR 102 2HD TYR 102 -5.764 2.805 5.994 456 HE1 TYR 102 1HE TYR 102 -8.895 2.229 2.165 457 HE2 TYR 102 2HE TYR 102 -7.802 1.513 6.311 458 HH TYR 102 HH TYR 102 -10.031 0.929 5.204 459 H LEU 103 H LEU 103 -5.312 5.371 6.045 460 HA LEU 103 HA LEU 103 -8.087 5.728 6.299 461 HB2 LEU 103 1HB LEU 103 -7.684 6.214 8.647 462 HB3 LEU 103 2HB LEU 103 -6.681 4.888 8.074 463 HG LEU 103 HG LEU 103 -4.831 6.732 7.790 464 HD11 LEU 103 1HD1 LEU 103 -6.068 8.803 8.363 465 HD12 LEU 103 2HD1 LEU 103 -4.909 8.454 9.611 466 HD13 LEU 103 3HD1 LEU 103 -6.615 8.067 9.883 467 HD21 LEU 103 3HD2 LEU 103 -4.683 4.834 9.267 468 HD22 LEU 103 1HD2 LEU 103 -5.722 5.633 10.476 469 HD23 LEU 103 2HD2 LEU 103 -4.108 6.274 10.122 470 H ARG 104 H ARG 104 -5.597 8.143 5.766 471 HA ARG 104 HA ARG 104 -7.382 10.322 6.531 472 HB2 ARG 104 1HB ARG 104 -5.592 11.701 6.372 473 HB3 ARG 104 2HB ARG 104 -4.761 10.204 6.567 474 HG2 ARG 104 1HG ARG 104 -3.554 10.956 4.777 475 HG3 ARG 104 2HG ARG 104 -4.893 10.318 3.842 476 HD2 ARG 104 1HD ARG 104 -4.855 12.351 2.922 477 HD3 ARG 104 2HD ARG 104 -5.957 12.670 4.297 478 HE ARG 104 HE ARG 104 -3.251 13.041 5.089 479 HH11 ARG 104 1HH1 ARG 104 -5.410 14.586 2.776 480 HH12 ARG 104 2HH1 ARG 104 -4.820 16.195 3.033 481 HH21 ARG 104 1HH2 ARG 104 -2.538 15.047 5.582 482 HH22 ARG 104 2HH2 ARG 104 -3.072 16.482 4.716 483 H GLY 105 H GLY 105 -6.997 8.400 3.674 484 HA2 GLY 105 1HA GLY 105 -8.545 8.431 1.909 485 HA3 GLY 105 2HA GLY 105 -9.016 10.077 2.332 486 H ASP 106 H ASP 106 -5.593 9.167 2.020 487 HA ASP 106 HA ASP 106 -5.036 11.236 0.143 488 HB2 ASP 106 1HB ASP 106 -3.567 10.113 1.949 489 HB3 ASP 106 2HB ASP 106 -3.201 8.924 0.710 490 H GLU 107 H GLU 107 -3.422 10.387 -1.886 491 HA GLU 107 HA GLU 107 -5.219 8.938 -3.744 492 HB2 GLU 107 1HB GLU 107 -2.542 10.337 -4.124 493 HB3 GLU 107 2HB GLU 107 -3.490 9.538 -5.385 494 HG2 GLU 107 1HG GLU 107 -5.421 11.135 -4.646 495 HG3 GLU 107 2HG GLU 107 -4.145 12.064 -3.859 496 H PHE 108 H PHE 108 -4.814 7.068 -4.810 497 HA PHE 108 HA PHE 108 -2.411 5.520 -4.031 498 HB2 PHE 108 2HB PHE 108 -5.281 4.616 -3.607 499 HB3 PHE 108 3HB PHE 108 -3.971 3.493 -3.888 500 HD1 PHE 108 2HD PHE 108 -4.804 6.326 -1.528 501 HD2 PHE 108 1HD PHE 108 -2.740 2.609 -2.189 502 HE1 PHE 108 2HE PHE 108 -4.001 6.356 0.801 503 HE2 PHE 108 1HE PHE 108 -2.020 2.572 0.166 504 HZ PHE 108 HZ PHE 108 -2.623 4.455 1.682 505 H SER 109 H SER 109 -1.514 5.385 -5.901 506 HA SER 109 HA SER 109 -2.948 5.023 -8.424 507 HB2 SER 109 1HB SER 109 0.052 4.667 -7.933 508 HB3 SER 109 2HB SER 109 -0.732 5.268 -9.394 509 HG SER 109 HG SER 109 -1.248 7.142 -8.297 510 H PHE 110 H PHE 110 -1.835 3.285 -9.985 511 HA PHE 110 HA PHE 110 -1.801 0.637 -8.632 512 HB2 PHE 110 2HB PHE 110 -2.802 1.508 -11.362 513 HB3 PHE 110 3HB PHE 110 -2.286 -0.124 -11.083 514 HD1 PHE 110 2HD PHE 110 -3.504 -1.704 -9.548 515 HD2 PHE 110 1HD PHE 110 -4.936 2.324 -10.362 516 HE1 PHE 110 2HE PHE 110 -5.741 -2.306 -8.735 517 HE2 PHE 110 1HE PHE 110 -7.168 1.668 -9.477 518 HZ PHE 110 HZ PHE 110 -7.549 -0.642 -8.627 519 HA PRO 111 HA PRO 111 2.363 0.515 -10.089 520 HB2 PRO 111 2HB PRO 111 2.779 -2.187 -10.574 521 HB3 PRO 111 3HB PRO 111 2.657 -1.485 -8.936 522 HG2 PRO 111 2HG PRO 111 0.530 -2.898 -10.567 523 HG3 PRO 111 3HG PRO 111 0.895 -3.033 -8.812 524 HD2 PRO 111 2HD PRO 111 -1.153 -1.533 -9.808 525 HD3 PRO 111 3HD PRO 111 -0.294 -1.126 -8.289 526 HA PRO 112 HA PRO 112 2.549 0.590 -14.474 527 HB2 PRO 112 2HB PRO 112 4.987 -0.545 -15.140 528 HB3 PRO 112 3HB PRO 112 4.818 1.060 -14.370 529 HG2 PRO 112 2HG PRO 112 5.293 -1.604 -12.980 530 HG3 PRO 112 3HG PRO 112 6.250 -0.108 -12.802 531 HD2 PRO 112 2HD PRO 112 4.357 -0.624 -11.023 532 HD3 PRO 112 3HD PRO 112 4.426 1.023 -11.714 533 H GLY 113 H GLY 113 2.288 -0.710 -16.378 534 HA2 GLY 113 1HA GLY 113 1.944 -2.607 -17.603 535 HA3 GLY 113 2HA GLY 113 2.365 -3.623 -16.221 536 H PHE 114 H PHE 114 0.368 -2.124 -14.415 537 HA PHE 114 HA PHE 114 -1.836 -3.834 -14.974 538 HB2 PHE 114 2HB PHE 114 -1.205 -2.861 -12.658 539 HB3 PHE 114 3HB PHE 114 -1.899 -1.355 -13.206 540 HD1 PHE 114 2HD PHE 114 -2.768 -5.037 -13.223 541 HD2 PHE 114 1HD PHE 114 -4.209 -0.970 -12.776 542 HE1 PHE 114 2HE PHE 114 -5.037 -5.883 -12.800 543 HE2 PHE 114 1HE PHE 114 -6.466 -1.845 -12.287 544 HZ PHE 114 HZ PHE 114 -6.920 -4.290 -12.306 545 H GLU 115 H GLU 115 -1.468 -0.295 -15.278 546 HA GLU 115 HA GLU 115 -4.062 0.142 -16.484 547 HB2 GLU 115 1HB GLU 115 -1.556 1.854 -16.231 548 HB3 GLU 115 2HB GLU 115 -3.107 2.446 -16.830 549 HG2 GLU 115 1HG GLU 115 -2.853 1.190 -14.050 550 HG3 GLU 115 2HG GLU 115 -2.435 2.863 -14.349 Start of MODEL 17 1 H1 GLY 41 H GLY 41 41.203 -0.692 -27.507 2 HA2 GLY 41 1HA GLY 41 40.009 -0.240 -25.403 3 HA3 GLY 41 2HA GLY 41 38.868 -0.657 -26.708 4 H ALA 42 H ALA 42 37.621 -1.208 -24.446 5 HA ALA 42 HA ALA 42 37.757 -4.100 -24.136 6 HB1 ALA 42 3HB ALA 42 37.956 -2.124 -21.804 7 HB2 ALA 42 1HB ALA 42 37.696 -3.874 -21.660 8 HB3 ALA 42 2HB ALA 42 39.228 -3.263 -22.312 9 H MET 43 H MET 43 35.673 -4.835 -23.287 10 HA MET 43 HA MET 43 33.471 -3.135 -24.126 11 HB2 MET 43 1HB MET 43 33.447 -5.925 -22.914 12 HB3 MET 43 2HB MET 43 32.098 -5.096 -23.697 13 HG2 MET 43 1HG MET 43 34.666 -6.057 -24.986 14 HG3 MET 43 2HG MET 43 33.046 -6.685 -25.240 15 HE1 MET 43 3HE MET 43 31.190 -5.539 -26.733 16 HE2 MET 43 1HE MET 43 31.222 -4.131 -25.647 17 HE3 MET 43 2HE MET 43 31.339 -3.898 -27.399 18 H GLY 44 H GLY 44 33.960 -1.446 -22.560 19 HA2 GLY 44 1HA GLY 44 32.448 -1.829 -20.024 20 HA3 GLY 44 2HA GLY 44 34.074 -1.154 -19.945 21 HA PRO 45 HA PRO 45 31.995 2.741 -20.601 22 HB2 PRO 45 2HB PRO 45 34.047 4.338 -21.539 23 HB3 PRO 45 3HB PRO 45 33.815 3.864 -19.827 24 HG2 PRO 45 2HG PRO 45 35.616 2.571 -21.895 25 HG3 PRO 45 3HG PRO 45 36.013 3.023 -20.204 26 HD2 PRO 45 2HD PRO 45 35.346 0.486 -20.860 27 HD3 PRO 45 3HD PRO 45 34.748 1.208 -19.333 28 H GLN 46 H GLN 46 30.527 2.687 -22.107 29 HA GLN 46 HA GLN 46 31.085 3.218 -24.944 30 HB2 GLN 46 1HB GLN 46 29.411 0.934 -23.807 31 HB3 GLN 46 2HB GLN 46 29.336 1.447 -25.486 32 HG2 GLN 46 1HG GLN 46 31.436 0.524 -26.005 33 HG3 GLN 46 2HG GLN 46 31.957 0.472 -24.316 34 HE21 GLN 46 2HE2 GLN 46 30.959 -1.082 -22.853 35 HE22 GLN 46 1HE2 GLN 46 30.315 -2.594 -23.512 36 H GLY 47 H GLY 47 29.663 5.045 -25.273 37 HA2 GLY 47 1HA GLY 47 27.042 5.073 -23.893 38 HA3 GLY 47 2HA GLY 47 28.184 6.339 -23.446 39 H SER 48 H SER 48 26.085 5.098 -25.947 40 HA SER 48 HA SER 48 26.085 7.675 -27.350 41 HB2 SER 48 1HB SER 48 26.598 5.086 -28.877 42 HB3 SER 48 2HB SER 48 26.604 6.739 -29.511 43 HG SER 48 HG SER 48 28.404 6.996 -27.840 44 H THR 49 H THR 49 24.429 7.062 -29.493 45 HA THR 49 HA THR 49 21.874 6.804 -28.336 46 HB THR 49 HB THR 49 21.270 6.521 -30.815 47 HG1 THR 49 1HG THR 49 23.376 5.560 -31.265 48 HG21 THR 49 3HG2 THR 49 23.154 8.849 -30.209 49 HG22 THR 49 1HG2 THR 49 21.452 8.763 -29.714 50 HG23 THR 49 2HG2 THR 49 21.877 8.796 -31.438 51 H GLN 50 H GLN 50 20.746 4.990 -27.783 52 HA GLN 50 HA GLN 50 20.398 2.804 -27.245 53 HB2 GLN 50 1HB GLN 50 20.575 2.631 -30.254 54 HB3 GLN 50 2HB GLN 50 19.790 1.439 -29.216 55 HG2 GLN 50 1HG GLN 50 18.949 4.344 -29.604 56 HG3 GLN 50 2HG GLN 50 18.158 2.910 -30.256 57 HE21 GLN 50 2HE2 GLN 50 16.506 1.974 -28.989 58 HE22 GLN 50 1HE2 GLN 50 16.235 2.382 -27.303 59 H ASN 51 H ASN 51 23.006 3.412 -26.795 60 HA ASN 51 HA ASN 51 24.867 1.523 -27.754 61 HB2 ASN 51 1HB ASN 51 26.305 2.239 -25.997 62 HB3 ASN 51 2HB ASN 51 25.423 3.606 -26.562 63 HD21 ASN 51 2HD2 ASN 51 23.945 4.682 -25.138 64 HD22 ASN 51 1HD2 ASN 51 23.741 4.261 -23.463 65 H ALA 52 H ALA 52 25.040 -0.592 -27.447 66 HA ALA 52 HA ALA 52 23.166 -2.084 -25.851 67 HB1 ALA 52 3HB ALA 52 23.959 -2.852 -28.056 68 HB2 ALA 52 1HB ALA 52 25.627 -2.893 -27.465 69 HB3 ALA 52 2HB ALA 52 24.424 -4.013 -26.795 70 H LEU 53 H LEU 53 23.430 -2.221 -23.628 71 HA LEU 53 HA LEU 53 25.972 -3.170 -22.552 72 HB2 LEU 53 1HB LEU 53 25.581 -0.435 -22.406 73 HB3 LEU 53 2HB LEU 53 24.774 -0.940 -20.952 74 HG LEU 53 HG LEU 53 27.001 -0.315 -20.395 75 HD11 LEU 53 1HD1 LEU 53 27.125 -3.350 -20.373 76 HD12 LEU 53 2HD1 LEU 53 26.427 -2.286 -19.091 77 HD13 LEU 53 3HD1 LEU 53 28.134 -2.238 -19.457 78 HD21 LEU 53 3HD2 LEU 53 29.020 -1.316 -21.399 79 HD22 LEU 53 1HD2 LEU 53 28.052 -0.409 -22.546 80 HD23 LEU 53 2HD2 LEU 53 28.001 -2.184 -22.572 81 H ARG 54 H ARG 54 25.294 -3.184 -19.943 82 HA ARG 54 HA ARG 54 22.813 -4.828 -19.745 83 HB2 ARG 54 1HB ARG 54 25.477 -4.782 -18.225 84 HB3 ARG 54 2HB ARG 54 24.087 -5.684 -17.652 85 HG2 ARG 54 1HG ARG 54 25.457 -6.135 -20.352 86 HG3 ARG 54 2HG ARG 54 25.786 -7.059 -18.885 87 HD2 ARG 54 1HD ARG 54 23.101 -6.909 -20.312 88 HD3 ARG 54 2HD ARG 54 24.254 -8.255 -20.370 89 HE ARG 54 HE ARG 54 23.904 -8.018 -17.724 90 HH11 ARG 54 1HH1 ARG 54 21.545 -8.427 -20.344 91 HH12 ARG 54 2HH1 ARG 54 20.329 -9.121 -19.295 92 HH21 ARG 54 1HH2 ARG 54 22.363 -8.994 -16.392 93 HH22 ARG 54 2HH2 ARG 54 20.812 -9.434 -16.993 94 H ARG 55 H ARG 55 21.970 -4.653 -17.283 95 HA ARG 55 HA ARG 55 22.299 -1.873 -16.376 96 HB2 ARG 55 1HB ARG 55 20.241 -1.848 -17.707 97 HB3 ARG 55 2HB ARG 55 19.642 -3.249 -16.827 98 HG2 ARG 55 1HG ARG 55 18.483 -1.442 -15.922 99 HG3 ARG 55 2HG ARG 55 19.652 -1.841 -14.697 100 HD2 ARG 55 1HD ARG 55 19.736 0.525 -16.614 101 HD3 ARG 55 2HD ARG 55 19.380 0.549 -14.899 102 HE ARG 55 HE ARG 55 21.599 0.218 -14.342 103 HH11 ARG 55 1HH1 ARG 55 21.214 0.678 -17.877 104 HH12 ARG 55 2HH1 ARG 55 22.851 1.129 -18.134 105 HH21 ARG 55 1HH2 ARG 55 23.811 0.775 -14.711 106 HH22 ARG 55 2HH2 ARG 55 24.385 0.998 -16.330 107 H THR 56 H THR 56 23.675 -2.616 -14.765 108 HA THR 56 HA THR 56 22.816 -4.712 -12.951 109 HB THR 56 HB THR 56 25.174 -4.199 -13.391 110 HG1 THR 56 1HG THR 56 24.460 -3.704 -10.694 111 HG21 THR 56 3HG2 THR 56 24.759 -1.529 -12.009 112 HG22 THR 56 1HG2 THR 56 25.177 -1.774 -13.708 113 HG23 THR 56 2HG2 THR 56 26.320 -2.242 -12.448 114 H GLY 57 H GLY 57 22.065 -4.251 -10.682 115 HA2 GLY 57 1HA GLY 57 21.467 -2.387 -9.126 116 HA3 GLY 57 2HA GLY 57 20.609 -1.647 -10.480 117 H ARG 58 H ARG 58 18.741 -1.777 -9.034 118 HA ARG 58 HA ARG 58 17.360 -4.418 -9.171 119 HB2 ARG 58 1HB ARG 58 17.179 -2.438 -6.857 120 HB3 ARG 58 2HB ARG 58 16.207 -3.868 -7.064 121 HG2 ARG 58 1HG ARG 58 17.706 -5.093 -5.948 122 HG3 ARG 58 2HG ARG 58 18.875 -4.840 -7.234 123 HD2 ARG 58 1HD ARG 58 18.491 -3.210 -4.703 124 HD3 ARG 58 2HD ARG 58 19.909 -4.165 -5.165 125 HE ARG 58 HE ARG 58 19.635 -2.361 -7.204 126 HH11 ARG 58 1HH1 ARG 58 20.185 -1.965 -3.701 127 HH12 ARG 58 2HH1 ARG 58 20.283 -0.243 -3.802 128 HH21 ARG 58 1HH2 ARG 58 19.826 -0.043 -7.315 129 HH22 ARG 58 2HH2 ARG 58 20.050 0.822 -5.836 130 H VAL 59 H VAL 59 15.749 -4.152 -10.596 131 HA VAL 59 HA VAL 59 14.840 -1.532 -11.419 132 HB VAL 59 HB VAL 59 13.623 -2.856 -13.127 133 HG11 VAL 59 1HG1 VAL 59 16.532 -3.748 -12.835 134 HG12 VAL 59 2HG1 VAL 59 15.568 -3.654 -14.314 135 HG13 VAL 59 3HG1 VAL 59 15.992 -2.172 -13.457 136 HG21 VAL 59 3HG2 VAL 59 13.119 -4.871 -11.740 137 HG22 VAL 59 1HG2 VAL 59 13.878 -5.270 -13.280 138 HG23 VAL 59 2HG2 VAL 59 14.831 -5.342 -11.790 139 H ASN 60 H ASN 60 14.059 -2.558 -8.618 140 HA ASN 60 HA ASN 60 11.366 -3.270 -8.550 141 HB2 ASN 60 1HB ASN 60 13.046 -1.675 -6.585 142 HB3 ASN 60 2HB ASN 60 11.346 -2.003 -6.279 143 HD21 ASN 60 2HD2 ASN 60 10.700 -4.447 -6.786 144 HD22 ASN 60 1HD2 ASN 60 11.808 -5.610 -6.073 145 H GLY 61 H GLY 61 12.635 0.052 -8.856 146 HA2 GLY 61 1HA GLY 61 11.284 1.629 -10.179 147 HA3 GLY 61 2HA GLY 61 9.825 0.986 -9.394 148 H GLY 62 H GLY 62 10.013 0.925 -6.879 149 HA2 GLY 62 1HA GLY 62 11.119 3.477 -5.830 150 HA3 GLY 62 2HA GLY 62 9.657 2.634 -5.264 151 H HIS 63 H HIS 63 10.409 2.355 -3.187 152 HA HIS 63 HA HIS 63 12.961 1.140 -2.473 153 HB2 HIS 63 1HB HIS 63 10.353 1.598 -0.923 154 HB3 HIS 63 2HB HIS 63 11.868 1.058 -0.200 155 HD1 HIS 63 HD1 HIS 63 14.009 2.972 -0.622 156 HD2 HIS 63 HD2 HIS 63 9.950 4.135 -0.789 157 HE1 HIS 63 HE1 HIS 63 13.944 5.485 -0.129 158 HA PRO 64 HA PRO 64 11.441 -3.017 -3.075 159 HB2 PRO 64 2HB PRO 64 12.970 -4.541 -1.389 160 HB3 PRO 64 3HB PRO 64 13.608 -3.749 -2.853 161 HG2 PRO 64 2HG PRO 64 13.736 -2.763 0.011 162 HG3 PRO 64 3HG PRO 64 15.071 -2.837 -1.187 163 HD2 PRO 64 2HD PRO 64 13.617 -0.561 -0.683 164 HD3 PRO 64 3HD PRO 64 14.254 -0.942 -2.324 165 H VAL 65 H VAL 65 9.824 -4.289 -2.298 166 HA VAL 65 HA VAL 65 9.068 -4.131 0.598 167 HB VAL 65 HB VAL 65 6.772 -3.954 0.071 168 HG11 VAL 65 1HG1 VAL 65 8.356 -1.914 -1.556 169 HG12 VAL 65 2HG1 VAL 65 6.695 -1.755 -1.058 170 HG13 VAL 65 3HG1 VAL 65 7.974 -1.817 0.169 171 HG21 VAL 65 3HG2 VAL 65 5.836 -3.682 -2.158 172 HG22 VAL 65 1HG2 VAL 65 7.424 -3.919 -2.897 173 HG23 VAL 65 2HG2 VAL 65 6.628 -5.258 -2.040 174 H THR 66 H THR 66 7.628 -5.942 1.279 175 HA THR 66 HA THR 66 8.301 -8.490 -0.080 176 HB THR 66 HB THR 66 8.213 -9.351 2.339 177 HG1 THR 66 1HG THR 66 8.815 -6.680 3.039 178 HG21 THR 66 3HG2 THR 66 10.498 -7.436 1.655 179 HG22 THR 66 1HG2 THR 66 10.365 -9.128 1.133 180 HG23 THR 66 2HG2 THR 66 10.539 -8.752 2.850 181 H THR 67 H THR 67 6.699 -10.219 0.391 182 HA THR 67 HA THR 67 4.094 -9.539 -0.127 183 HB THR 67 HB THR 67 5.096 -11.973 1.408 184 HG1 THR 67 1HG THR 67 5.115 -12.739 -0.925 185 HG21 THR 67 3HG2 THR 67 2.632 -11.877 1.222 186 HG22 THR 67 1HG2 THR 67 3.303 -13.191 0.260 187 HG23 THR 67 2HG2 THR 67 2.779 -11.694 -0.547 188 H GLN 68 H GLN 68 5.642 -9.933 3.106 189 HA GLN 68 HA GLN 68 3.274 -9.840 4.622 190 HB2 GLN 68 1HB GLN 68 4.620 -8.932 6.497 191 HB3 GLN 68 2HB GLN 68 5.173 -10.454 5.891 192 HG2 GLN 68 1HG GLN 68 6.529 -7.941 4.901 193 HG3 GLN 68 2HG GLN 68 6.803 -8.472 6.541 194 HE21 GLN 68 2HE2 GLN 68 6.317 -11.199 4.291 195 HE22 GLN 68 1HE2 GLN 68 8.037 -11.494 4.100 196 H MET 69 H MET 69 5.321 -7.047 3.487 197 HA MET 69 HA MET 69 3.804 -5.191 4.993 198 HB2 MET 69 1HB MET 69 5.426 -4.892 2.446 199 HB3 MET 69 2HB MET 69 4.705 -3.535 3.337 200 HG2 MET 69 1HG MET 69 5.901 -4.752 5.395 201 HG3 MET 69 2HG MET 69 6.926 -5.402 4.137 202 HE1 MET 69 3HE MET 69 7.898 -1.432 2.879 203 HE2 MET 69 1HE MET 69 7.704 -3.050 2.164 204 HE3 MET 69 2HE MET 69 6.276 -2.093 2.623 205 H VAL 70 H VAL 70 3.139 -6.686 1.845 206 HA VAL 70 HA VAL 70 0.968 -4.983 1.200 207 HB VAL 70 HB VAL 70 1.328 -7.837 0.275 208 HG11 VAL 70 1HG1 VAL 70 -0.064 -5.497 -1.040 209 HG12 VAL 70 2HG1 VAL 70 0.119 -7.116 -1.725 210 HG13 VAL 70 3HG1 VAL 70 -0.857 -6.890 -0.267 211 HG21 VAL 70 3HG2 VAL 70 3.418 -6.699 -0.143 212 HG22 VAL 70 1HG2 VAL 70 2.555 -7.002 -1.645 213 HG23 VAL 70 2HG2 VAL 70 2.552 -5.370 -0.951 214 H GLU 71 H GLU 71 1.008 -8.246 2.763 215 HA GLU 71 HA GLU 71 -1.824 -8.161 3.221 216 HB2 GLU 71 1HB GLU 71 -1.177 -9.846 5.170 217 HB3 GLU 71 2HB GLU 71 -1.299 -10.317 3.467 218 HG2 GLU 71 1HG GLU 71 1.047 -10.172 3.216 219 HG3 GLU 71 2HG GLU 71 1.234 -9.541 4.850 220 H THR 72 H THR 72 0.911 -6.875 5.217 221 HA THR 72 HA THR 72 -0.622 -6.437 7.532 222 HB THR 72 HB THR 72 1.593 -4.646 6.465 223 HG1 THR 72 1HG THR 72 1.711 -6.944 8.152 224 HG21 THR 72 3HG2 THR 72 0.303 -3.655 8.376 225 HG22 THR 72 1HG2 THR 72 1.952 -4.064 8.816 226 HG23 THR 72 2HG2 THR 72 0.595 -5.131 9.312 227 H VAL 73 H VAL 73 0.052 -4.021 4.849 228 HA VAL 73 HA VAL 73 -1.841 -2.134 5.725 229 HB VAL 73 HB VAL 73 -1.115 -2.850 2.880 230 HG11 VAL 73 1HG1 VAL 73 -2.476 -0.340 3.965 231 HG12 VAL 73 2HG1 VAL 73 -1.824 -0.501 2.318 232 HG13 VAL 73 3HG1 VAL 73 -3.168 -1.517 2.829 233 HG21 VAL 73 3HG2 VAL 73 0.408 -0.990 2.940 234 HG22 VAL 73 1HG2 VAL 73 -0.057 -0.593 4.599 235 HG23 VAL 73 2HG2 VAL 73 0.806 -2.118 4.243 236 H GLN 74 H GLN 74 -2.356 -4.937 3.471 237 HA GLN 74 HA GLN 74 -5.052 -4.461 2.928 238 HB2 GLN 74 1HB GLN 74 -3.500 -6.294 2.009 239 HB3 GLN 74 2HB GLN 74 -3.939 -7.236 3.439 240 HG2 GLN 74 1HG GLN 74 -5.474 -8.004 1.895 241 HG3 GLN 74 2HG GLN 74 -6.424 -6.778 2.713 242 HE21 GLN 74 2HE2 GLN 74 -6.946 -4.750 1.518 243 HE22 GLN 74 1HE2 GLN 74 -6.813 -4.795 -0.209 244 H ASN 75 H ASN 75 -3.731 -6.210 5.768 245 HA ASN 75 HA ASN 75 -6.262 -6.942 6.920 246 HB2 ASN 75 1HB ASN 75 -3.548 -6.446 8.219 247 HB3 ASN 75 2HB ASN 75 -4.954 -6.971 9.102 248 HD21 ASN 75 2HD2 ASN 75 -2.428 -8.073 7.014 249 HD22 ASN 75 1HD2 ASN 75 -2.779 -9.750 7.222 250 H LEU 76 H LEU 76 -4.279 -3.997 7.144 251 HA LEU 76 HA LEU 76 -6.147 -2.841 9.133 252 HB2 LEU 76 1HB LEU 76 -3.730 -1.524 7.891 253 HB3 LEU 76 2HB LEU 76 -4.621 -1.038 9.328 254 HG LEU 76 HG LEU 76 -2.721 -3.372 8.975 255 HD11 LEU 76 1HD1 LEU 76 -2.811 -1.148 11.035 256 HD12 LEU 76 2HD1 LEU 76 -1.778 -1.205 9.587 257 HD13 LEU 76 3HD1 LEU 76 -1.558 -2.405 10.859 258 HD21 LEU 76 3HD2 LEU 76 -3.185 -4.083 11.303 259 HD22 LEU 76 1HD2 LEU 76 -4.478 -4.461 10.190 260 HD23 LEU 76 2HD2 LEU 76 -4.648 -3.070 11.299 261 H ALA 77 H ALA 77 -5.813 -2.862 5.703 262 HA ALA 77 HA ALA 77 -7.877 -0.789 5.335 263 HB1 ALA 77 3HB ALA 77 -5.319 -1.174 3.714 264 HB2 ALA 77 1HB ALA 77 -6.606 -0.021 3.359 265 HB3 ALA 77 2HB ALA 77 -5.643 0.159 4.845 266 HA PRO 78 HA PRO 78 -8.923 -4.840 3.176 267 HB2 PRO 78 2HB PRO 78 -11.540 -5.026 4.004 268 HB3 PRO 78 3HB PRO 78 -10.158 -5.580 4.998 269 HG2 PRO 78 2HG PRO 78 -11.580 -2.914 5.123 270 HG3 PRO 78 3HG PRO 78 -11.228 -4.038 6.490 271 HD2 PRO 78 2HD PRO 78 -9.611 -1.917 5.963 272 HD3 PRO 78 3HD PRO 78 -8.910 -3.505 6.398 273 H ASN 79 H ASN 79 -9.826 -1.608 2.915 274 HA ASN 79 HA ASN 79 -11.872 -1.896 0.789 275 HB2 ASN 79 1HB ASN 79 -11.686 -0.155 2.767 276 HB3 ASN 79 2HB ASN 79 -10.615 0.700 1.654 277 HD21 ASN 79 2HD2 ASN 79 -11.759 0.519 -0.774 278 HD22 ASN 79 1HD2 ASN 79 -13.403 1.127 -0.768 279 H LEU 80 H LEU 80 -8.404 -1.754 0.998 280 HA LEU 80 HA LEU 80 -8.126 -0.533 -1.680 281 HB2 LEU 80 1HB LEU 80 -6.160 -1.527 0.441 282 HB3 LEU 80 2HB LEU 80 -5.654 -0.940 -1.129 283 HG LEU 80 HG LEU 80 -7.120 0.685 1.005 284 HD11 LEU 80 1HD1 LEU 80 -4.759 0.213 1.527 285 HD12 LEU 80 2HD1 LEU 80 -4.979 1.920 1.136 286 HD13 LEU 80 3HD1 LEU 80 -4.282 0.820 -0.084 287 HD21 LEU 80 3HD2 LEU 80 -7.810 1.552 -1.136 288 HD22 LEU 80 1HD2 LEU 80 -6.148 1.507 -1.770 289 HD23 LEU 80 2HD2 LEU 80 -6.610 2.649 -0.479 290 H HIS 81 H HIS 81 -6.785 -1.576 -3.310 291 HA HIS 81 HA HIS 81 -7.471 -4.391 -3.687 292 HB2 HIS 81 1HB HIS 81 -7.547 -2.480 -5.486 293 HB3 HIS 81 2HB HIS 81 -5.804 -2.496 -5.376 294 HD2 HIS 81 HD2 HIS 81 -8.725 -4.621 -6.714 295 HE1 HIS 81 HE1 HIS 81 -5.064 -6.208 -8.274 296 HE2 HIS 81 HE2 HIS 81 -7.655 -6.343 -8.383 297 HA PRO 82 HA PRO 82 -3.492 -5.679 -2.099 298 HB2 PRO 82 2HB PRO 82 -2.854 -7.865 -3.658 299 HB3 PRO 82 3HB PRO 82 -4.057 -7.862 -2.342 300 HG2 PRO 82 2HG PRO 82 -4.570 -7.575 -5.296 301 HG3 PRO 82 3HG PRO 82 -5.451 -8.582 -4.097 302 HD2 PRO 82 2HD PRO 82 -6.321 -6.167 -4.925 303 HD3 PRO 82 3HD PRO 82 -6.581 -6.707 -3.228 304 H GLU 83 H GLU 83 -3.763 -5.088 -5.614 305 HA GLU 83 HA GLU 83 -0.892 -4.947 -5.879 306 HB2 GLU 83 1HB GLU 83 -3.195 -5.099 -7.631 307 HB3 GLU 83 2HB GLU 83 -2.208 -3.712 -8.143 308 HG2 GLU 83 1HG GLU 83 -0.219 -5.283 -7.960 309 HG3 GLU 83 2HG GLU 83 -1.409 -6.603 -7.739 310 H GLN 84 H GLN 84 -3.442 -2.577 -5.322 311 HA GLN 84 HA GLN 84 -1.906 -0.231 -5.936 312 HB2 GLN 84 1HB GLN 84 -4.010 -0.673 -3.761 313 HB3 GLN 84 2HB GLN 84 -3.346 0.892 -4.195 314 HG2 GLN 84 1HG GLN 84 -4.246 0.774 -6.426 315 HG3 GLN 84 2HG GLN 84 -4.789 -0.871 -6.196 316 HE21 GLN 84 2HE2 GLN 84 -5.548 2.454 -5.814 317 HE22 GLN 84 1HE2 GLN 84 -7.106 2.270 -5.115 318 H ILE 85 H ILE 85 -2.356 -2.139 -2.997 319 HA ILE 85 HA ILE 85 -0.846 -0.672 -1.167 320 HB ILE 85 HB ILE 85 -1.413 -3.642 -1.432 321 HG12 ILE 85 1HG1 ILE 85 -2.674 -1.603 0.449 322 HG13 ILE 85 2HG1 ILE 85 -3.364 -1.980 -1.109 323 HG21 ILE 85 1HG2 ILE 85 -0.789 -3.769 0.962 324 HG22 ILE 85 2HG2 ILE 85 0.558 -3.341 -0.066 325 HG23 ILE 85 3HG2 ILE 85 -0.223 -2.075 0.889 326 HD11 ILE 85 3HD1 ILE 85 -4.479 -3.330 0.546 327 HD12 ILE 85 1HD1 ILE 85 -3.492 -4.378 -0.498 328 HD13 ILE 85 2HD1 ILE 85 -2.943 -3.990 1.141 329 H ARG 86 H ARG 86 0.326 -3.537 -3.108 330 HA ARG 86 HA ARG 86 3.012 -3.351 -2.415 331 HB2 ARG 86 1HB ARG 86 2.491 -5.194 -3.627 332 HB3 ARG 86 2HB ARG 86 1.514 -4.348 -4.812 333 HG2 ARG 86 1HG ARG 86 4.494 -3.827 -4.796 334 HG3 ARG 86 2HG ARG 86 3.907 -5.366 -5.406 335 HD2 ARG 86 1HD ARG 86 2.834 -4.496 -7.225 336 HD3 ARG 86 2HD ARG 86 2.408 -2.988 -6.444 337 HE ARG 86 HE ARG 86 4.726 -2.219 -6.661 338 HH11 ARG 86 1HH1 ARG 86 3.555 -4.684 -9.038 339 HH12 ARG 86 2HH1 ARG 86 4.892 -4.381 -10.091 340 HH21 ARG 86 1HH2 ARG 86 6.483 -2.063 -8.000 341 HH22 ARG 86 2HH2 ARG 86 6.666 -2.943 -9.508 342 H TYR 87 H TYR 87 1.501 -1.402 -5.074 343 HA TYR 87 HA TYR 87 3.924 -0.087 -5.773 344 HB2 TYR 87 2HB TYR 87 1.781 -0.252 -7.070 345 HB3 TYR 87 3HB TYR 87 1.042 0.884 -5.979 346 HD1 TYR 87 2HD TYR 87 4.399 0.846 -7.800 347 HD2 TYR 87 1HD TYR 87 0.698 2.934 -6.962 348 HE1 TYR 87 2HE TYR 87 5.046 2.640 -9.366 349 HE2 TYR 87 1HE TYR 87 1.401 4.766 -8.476 350 HH TYR 87 HH TYR 87 3.867 4.409 -10.783 351 H SER 88 H SER 88 1.321 0.881 -3.522 352 HA SER 88 HA SER 88 2.520 3.467 -2.968 353 HB2 SER 88 1HB SER 88 0.933 3.583 -1.074 354 HB3 SER 88 2HB SER 88 0.228 3.260 -2.675 355 HG SER 88 HG SER 88 -0.763 1.934 -1.368 356 H LEU 89 H LEU 89 2.764 0.288 -1.451 357 HA LEU 89 HA LEU 89 4.422 1.023 0.773 358 HB2 LEU 89 1HB LEU 89 4.338 -1.517 -0.924 359 HB3 LEU 89 2HB LEU 89 5.259 -1.356 0.571 360 HG LEU 89 HG LEU 89 2.239 -1.048 0.489 361 HD11 LEU 89 1HD1 LEU 89 2.865 -3.276 -0.240 362 HD12 LEU 89 2HD1 LEU 89 2.298 -3.331 1.435 363 HD13 LEU 89 3HD1 LEU 89 4.039 -3.437 1.072 364 HD21 LEU 89 3HD2 LEU 89 4.223 -1.370 2.739 365 HD22 LEU 89 1HD2 LEU 89 2.477 -1.514 2.877 366 HD23 LEU 89 2HD2 LEU 89 3.182 0.019 2.366 367 H GLU 90 H GLU 90 5.216 0.301 -2.666 368 HA GLU 90 HA GLU 90 8.082 0.341 -2.225 369 HB2 GLU 90 1HB GLU 90 6.292 0.663 -4.663 370 HB3 GLU 90 2HB GLU 90 8.036 0.815 -4.775 371 HG2 GLU 90 1HG GLU 90 8.319 -1.469 -3.856 372 HG3 GLU 90 2HG GLU 90 6.598 -1.631 -3.641 373 H ASN 91 H ASN 91 5.653 2.776 -2.958 374 HA ASN 91 HA ASN 91 7.587 4.882 -3.503 375 HB2 ASN 91 1HB ASN 91 4.587 4.812 -3.059 376 HB3 ASN 91 2HB ASN 91 5.449 6.345 -3.043 377 HD21 ASN 91 2HD2 ASN 91 4.696 3.508 -5.079 378 HD22 ASN 91 1HD2 ASN 91 5.236 4.240 -6.579 379 H THR 92 H THR 92 5.439 4.265 -0.722 380 HA THR 92 HA THR 92 6.497 6.311 0.938 381 HB THR 92 HB THR 92 5.161 5.149 2.658 382 HG1 THR 92 1HG THR 92 4.393 3.250 0.764 383 HG21 THR 92 3HG2 THR 92 3.898 6.566 1.121 384 HG22 THR 92 1HG2 THR 92 2.956 5.119 1.559 385 HG23 THR 92 2HG2 THR 92 3.729 5.229 -0.030 386 H GLY 93 H GLY 93 7.174 2.818 0.721 387 HA2 GLY 93 1HA GLY 93 9.232 1.759 1.163 388 HA3 GLY 93 2HA GLY 93 9.827 3.174 2.023 389 H SER 94 H SER 94 6.857 2.867 3.420 390 HA SER 94 HA SER 94 7.445 0.580 5.132 391 HB2 SER 94 1HB SER 94 8.651 2.573 6.141 392 HB3 SER 94 2HB SER 94 7.052 3.302 6.394 393 HG SER 94 HG SER 94 8.158 0.907 7.476 394 H VAL 95 H VAL 95 5.643 -0.250 6.055 395 HA VAL 95 HA VAL 95 3.132 0.091 4.796 396 HB VAL 95 HB VAL 95 4.012 -1.246 7.389 397 HG11 VAL 95 1HG1 VAL 95 1.770 -2.461 7.189 398 HG12 VAL 95 2HG1 VAL 95 1.792 -0.874 7.955 399 HG13 VAL 95 3HG1 VAL 95 1.224 -1.052 6.288 400 HG21 VAL 95 3HG2 VAL 95 3.815 -3.270 6.196 401 HG22 VAL 95 1HG2 VAL 95 3.062 -2.464 4.800 402 HG23 VAL 95 2HG2 VAL 95 4.766 -2.154 5.215 403 H GLU 96 H GLU 96 4.433 1.214 7.918 404 HA GLU 96 HA GLU 96 2.251 2.321 9.098 405 HB2 GLU 96 1HB GLU 96 3.724 3.575 10.429 406 HB3 GLU 96 2HB GLU 96 4.616 2.120 9.969 407 HG2 GLU 96 1HG GLU 96 5.883 3.425 8.298 408 HG3 GLU 96 2HG GLU 96 4.961 4.861 8.695 409 H GLU 97 H GLU 97 4.303 3.944 6.668 410 HA GLU 97 HA GLU 97 2.702 6.342 6.699 411 HB2 GLU 97 1HB GLU 97 4.997 6.391 5.933 412 HB3 GLU 97 2HB GLU 97 4.641 5.265 4.640 413 HG2 GLU 97 1HG GLU 97 4.782 7.617 3.823 414 HG3 GLU 97 2HG GLU 97 3.232 6.880 3.500 415 H THR 98 H THR 98 2.644 3.416 4.702 416 HA THR 98 HA THR 98 0.703 4.267 2.822 417 HB THR 98 HB THR 98 1.235 1.450 3.821 418 HG1 THR 98 1HG THR 98 3.124 2.563 3.046 419 HG21 THR 98 3HG2 THR 98 0.545 0.845 1.501 420 HG22 THR 98 1HG2 THR 98 0.143 2.544 1.206 421 HG23 THR 98 2HG2 THR 98 -0.779 1.611 2.415 422 H VAL 99 H VAL 99 0.398 2.918 6.027 423 HA VAL 99 HA VAL 99 -2.506 2.680 5.958 424 HB VAL 99 HB VAL 99 -0.493 2.529 8.233 425 HG11 VAL 99 1HG1 VAL 99 -2.307 1.464 9.552 426 HG12 VAL 99 2HG1 VAL 99 -2.657 3.156 9.201 427 HG13 VAL 99 3HG1 VAL 99 -3.475 1.877 8.271 428 HG21 VAL 99 3HG2 VAL 99 -0.428 0.707 6.478 429 HG22 VAL 99 1HG2 VAL 99 -0.848 0.134 8.081 430 HG23 VAL 99 2HG2 VAL 99 -2.121 0.337 6.851 431 H GLU 100 H GLU 100 -0.179 5.180 7.082 432 HA GLU 100 HA GLU 100 -2.148 6.843 8.333 433 HB2 GLU 100 1HB GLU 100 0.731 7.137 7.532 434 HB3 GLU 100 2HB GLU 100 -0.204 8.606 7.858 435 HG2 GLU 100 1HG GLU 100 -0.754 7.962 10.072 436 HG3 GLU 100 2HG GLU 100 -0.280 6.286 9.791 437 H ARG 101 H ARG 101 -0.837 6.753 5.011 438 HA ARG 101 HA ARG 101 -2.334 9.132 4.258 439 HB2 ARG 101 1HB ARG 101 -1.626 8.591 1.988 440 HB3 ARG 101 2HB ARG 101 -0.263 8.512 3.128 441 HG2 ARG 101 1HG ARG 101 -0.774 5.986 3.242 442 HG3 ARG 101 2HG ARG 101 -1.812 6.250 1.871 443 HD2 ARG 101 1HD ARG 101 1.171 6.511 2.119 444 HD3 ARG 101 2HD ARG 101 0.302 5.410 1.051 445 HE ARG 101 HE ARG 101 0.884 8.236 0.908 446 HH11 ARG 101 1HH1 ARG 101 -1.455 5.974 -0.571 447 HH12 ARG 101 2HH1 ARG 101 -1.929 7.099 -1.805 448 HH21 ARG 101 1HH2 ARG 101 0.383 9.579 -0.782 449 HH22 ARG 101 2HH2 ARG 101 -1.036 9.307 -1.755 450 H TYR 102 H TYR 102 -2.827 5.627 4.152 451 HA TYR 102 HA TYR 102 -5.236 5.536 2.645 452 HB2 TYR 102 2HB TYR 102 -4.281 3.491 3.005 453 HB3 TYR 102 3HB TYR 102 -3.971 3.781 4.711 454 HD1 TYR 102 1HD TYR 102 -6.753 3.160 2.292 455 HD2 TYR 102 2HD TYR 102 -5.430 3.093 6.400 456 HE1 TYR 102 1HE TYR 102 -8.803 1.969 2.908 457 HE2 TYR 102 2HE TYR 102 -7.499 1.927 7.059 458 HH TYR 102 HH TYR 102 -10.203 1.516 4.847 459 H LEU 103 H LEU 103 -4.912 5.620 6.240 460 HA LEU 103 HA LEU 103 -7.674 6.017 6.686 461 HB2 LEU 103 1HB LEU 103 -7.100 6.680 8.954 462 HB3 LEU 103 2HB LEU 103 -6.239 5.246 8.425 463 HG LEU 103 HG LEU 103 -4.301 6.883 7.853 464 HD11 LEU 103 1HD1 LEU 103 -4.129 8.808 9.471 465 HD12 LEU 103 2HD1 LEU 103 -5.847 8.593 9.870 466 HD13 LEU 103 3HD1 LEU 103 -5.336 9.095 8.248 467 HD21 LEU 103 3HD2 LEU 103 -3.408 6.628 10.146 468 HD22 LEU 103 1HD2 LEU 103 -4.224 5.164 9.588 469 HD23 LEU 103 2HD2 LEU 103 -5.037 6.256 10.731 470 H ARG 104 H ARG 104 -5.299 8.303 5.581 471 HA ARG 104 HA ARG 104 -6.912 10.624 6.362 472 HB2 ARG 104 1HB ARG 104 -5.110 11.857 6.015 473 HB3 ARG 104 2HB ARG 104 -4.259 10.354 5.998 474 HG2 ARG 104 1HG ARG 104 -3.382 11.135 4.084 475 HG3 ARG 104 2HG ARG 104 -4.823 10.515 3.326 476 HD2 ARG 104 1HD ARG 104 -5.379 12.550 2.631 477 HD3 ARG 104 2HD ARG 104 -5.517 13.081 4.317 478 HE ARG 104 HE ARG 104 -2.768 12.947 3.495 479 HH11 ARG 104 1HH1 ARG 104 -5.612 15.105 3.438 480 HH12 ARG 104 2HH1 ARG 104 -4.668 16.541 3.241 481 HH21 ARG 104 1HH2 ARG 104 -1.559 14.782 3.188 482 HH22 ARG 104 2HH2 ARG 104 -2.229 16.321 3.542 483 H GLY 105 H GLY 105 -6.892 8.346 3.732 484 HA2 GLY 105 1HA GLY 105 -8.504 8.189 2.110 485 HA3 GLY 105 2HA GLY 105 -9.055 9.845 2.444 486 H ASP 106 H ASP 106 -5.733 8.696 1.689 487 HA ASP 106 HA ASP 106 -5.482 10.758 -0.393 488 HB2 ASP 106 1HB ASP 106 -3.640 9.919 1.267 489 HB3 ASP 106 2HB ASP 106 -3.422 8.605 0.110 490 H GLU 107 H GLU 107 -4.330 9.901 -2.491 491 HA GLU 107 HA GLU 107 -6.187 8.043 -3.839 492 HB2 GLU 107 1HB GLU 107 -3.734 9.531 -4.889 493 HB3 GLU 107 2HB GLU 107 -4.938 8.676 -5.842 494 HG2 GLU 107 1HG GLU 107 -6.677 10.309 -5.035 495 HG3 GLU 107 2HG GLU 107 -5.398 11.188 -4.193 496 H PHE 108 H PHE 108 -5.728 6.069 -4.370 497 HA PHE 108 HA PHE 108 -3.017 4.950 -3.856 498 HB2 PHE 108 2HB PHE 108 -5.752 3.880 -3.155 499 HB3 PHE 108 3HB PHE 108 -4.446 2.783 -3.590 500 HD1 PHE 108 2HD PHE 108 -5.129 5.697 -1.322 501 HD2 PHE 108 1HD PHE 108 -2.858 2.103 -2.017 502 HE1 PHE 108 2HE PHE 108 -4.059 5.964 0.870 503 HE2 PHE 108 1HE PHE 108 -1.867 2.312 0.254 504 HZ PHE 108 HZ PHE 108 -2.433 4.263 1.684 505 H SER 109 H SER 109 -2.134 4.697 -5.667 506 HA SER 109 HA SER 109 -3.695 4.256 -8.143 507 HB2 SER 109 1HB SER 109 -0.761 5.006 -7.890 508 HB3 SER 109 2HB SER 109 -1.814 5.138 -9.312 509 HG SER 109 HG SER 109 -1.715 7.123 -8.538 510 H PHE 110 H PHE 110 -2.181 2.918 -9.821 511 HA PHE 110 HA PHE 110 -1.566 0.354 -8.476 512 HB2 PHE 110 2HB PHE 110 -2.814 1.099 -11.139 513 HB3 PHE 110 3HB PHE 110 -2.113 -0.472 -10.894 514 HD1 PHE 110 1HD PHE 110 -4.728 1.861 -9.516 515 HD2 PHE 110 2HD PHE 110 -3.276 -2.218 -9.717 516 HE1 PHE 110 1HE PHE 110 -6.795 1.058 -8.437 517 HE2 PHE 110 2HE PHE 110 -5.358 -2.997 -8.699 518 HZ PHE 110 HZ PHE 110 -7.107 -1.370 -7.979 519 HA PRO 111 HA PRO 111 2.530 0.559 -9.962 520 HB2 PRO 111 2HB PRO 111 3.178 -2.071 -10.478 521 HB3 PRO 111 3HB PRO 111 2.891 -1.402 -8.835 522 HG2 PRO 111 2HG PRO 111 0.972 -2.921 -10.620 523 HG3 PRO 111 3HG PRO 111 1.301 -3.174 -8.869 524 HD2 PRO 111 2HD PRO 111 -0.824 -1.749 -9.767 525 HD3 PRO 111 3HD PRO 111 0.027 -1.325 -8.257 526 HA PRO 112 HA PRO 112 2.939 0.859 -14.308 527 HB2 PRO 112 2HB PRO 112 5.499 -0.068 -14.858 528 HB3 PRO 112 3HB PRO 112 5.122 1.523 -14.126 529 HG2 PRO 112 2HG PRO 112 5.875 -1.049 -12.717 530 HG3 PRO 112 3HG PRO 112 6.546 0.599 -12.448 531 HD2 PRO 112 2HD PRO 112 4.647 -0.396 -10.836 532 HD3 PRO 112 3HD PRO 112 4.546 1.304 -11.362 533 H GLY 113 H GLY 113 2.352 -0.332 -16.107 534 HA2 GLY 113 1HA GLY 113 2.256 -2.188 -17.500 535 HA3 GLY 113 2HA GLY 113 2.776 -3.255 -16.194 536 H PHE 114 H PHE 114 0.647 -1.645 -14.391 537 HA PHE 114 HA PHE 114 -1.420 -3.606 -14.850 538 HB2 PHE 114 2HB PHE 114 -0.882 -2.644 -12.588 539 HB3 PHE 114 3HB PHE 114 -1.576 -1.111 -13.128 540 HD1 PHE 114 1HD PHE 114 -4.125 -1.154 -13.886 541 HD2 PHE 114 2HD PHE 114 -2.203 -4.384 -11.792 542 HE1 PHE 114 1HE PHE 114 -6.336 -2.149 -13.360 543 HE2 PHE 114 2HE PHE 114 -4.404 -5.281 -11.134 544 HZ PHE 114 HZ PHE 114 -6.490 -4.189 -11.942 545 H GLU 115 H GLU 115 -1.060 -0.092 -15.520 546 HA GLU 115 HA GLU 115 -3.720 0.066 -16.685 547 HB2 GLU 115 1HB GLU 115 -3.325 2.416 -16.958 548 HB3 GLU 115 2HB GLU 115 -2.910 1.891 -15.349 549 HG2 GLU 115 1HG GLU 115 -1.154 3.260 -15.673 550 HG3 GLU 115 2HG GLU 115 -0.417 1.816 -16.330 Start of MODEL 18 1 H1 GLY 41 H GLY 41 47.687 1.916 -23.590 2 HA2 GLY 41 1HA GLY 41 49.847 3.106 -23.674 3 HA3 GLY 41 2HA GLY 41 48.940 4.602 -23.327 4 H ALA 42 H ALA 42 50.844 4.246 -21.485 5 HA ALA 42 HA ALA 42 50.025 2.468 -19.329 6 HB1 ALA 42 3HB ALA 42 52.420 3.006 -19.791 7 HB2 ALA 42 1HB ALA 42 52.092 4.724 -19.439 8 HB3 ALA 42 2HB ALA 42 51.942 3.504 -18.162 9 H MET 43 H MET 43 49.964 3.669 -17.054 10 HA MET 43 HA MET 43 48.449 6.164 -17.006 11 HB2 MET 43 1HB MET 43 47.424 3.484 -15.932 12 HB3 MET 43 2HB MET 43 46.794 5.056 -15.429 13 HG2 MET 43 1HG MET 43 46.176 5.571 -17.768 14 HG3 MET 43 2HG MET 43 46.707 3.954 -18.255 15 HE1 MET 43 3HE MET 43 42.732 3.951 -18.465 16 HE2 MET 43 1HE MET 43 43.777 5.370 -18.697 17 HE3 MET 43 2HE MET 43 44.239 3.799 -19.400 18 H GLY 44 H GLY 44 48.149 6.606 -14.418 19 HA2 GLY 44 1HA GLY 44 50.156 5.408 -12.735 20 HA3 GLY 44 2HA GLY 44 50.547 7.063 -13.263 21 HA PRO 45 HA PRO 45 47.443 7.024 -9.670 22 HB2 PRO 45 2HB PRO 45 48.988 8.091 -7.668 23 HB3 PRO 45 3HB PRO 45 48.932 6.343 -8.047 24 HG2 PRO 45 2HG PRO 45 50.996 8.374 -8.947 25 HG3 PRO 45 3HG PRO 45 51.272 6.747 -8.252 26 HD2 PRO 45 2HD PRO 45 51.313 7.217 -10.946 27 HD3 PRO 45 3HD PRO 45 50.681 5.685 -10.272 28 H GLN 46 H GLN 46 46.195 8.633 -10.627 29 HA GLN 46 HA GLN 46 47.063 11.439 -10.206 30 HB2 GLN 46 1HB GLN 46 47.405 10.822 -12.595 31 HB3 GLN 46 2HB GLN 46 45.704 10.336 -12.703 32 HG2 GLN 46 1HG GLN 46 45.061 12.700 -12.039 33 HG3 GLN 46 2HG GLN 46 46.768 13.137 -12.102 34 HE21 GLN 46 2HE2 GLN 46 47.869 12.948 -14.303 35 HE22 GLN 46 1HE2 GLN 46 46.820 13.097 -15.708 36 H GLY 47 H GLY 47 45.695 12.075 -8.603 37 HA2 GLY 47 1HA GLY 47 42.956 10.989 -8.402 38 HA3 GLY 47 2HA GLY 47 43.778 12.089 -7.269 39 H SER 48 H SER 48 42.370 11.922 -10.598 40 HA SER 48 HA SER 48 42.461 14.765 -11.025 41 HB2 SER 48 1HB SER 48 40.842 14.038 -12.928 42 HB3 SER 48 2HB SER 48 42.517 13.471 -12.947 43 HG SER 48 HG SER 48 41.383 11.681 -13.290 44 H THR 49 H THR 49 40.060 12.595 -9.540 45 HA THR 49 HA THR 49 38.693 14.693 -8.275 46 HB THR 49 HB THR 49 37.669 15.226 -10.378 47 HG1 THR 49 1HG THR 49 35.612 13.645 -9.449 48 HG21 THR 49 3HG2 THR 49 38.115 13.180 -11.677 49 HG22 THR 49 1HG2 THR 49 36.425 13.672 -11.774 50 HG23 THR 49 2HG2 THR 49 36.897 12.304 -10.728 51 H GLN 50 H GLN 50 36.893 13.735 -6.947 52 HA GLN 50 HA GLN 50 36.849 10.826 -6.726 53 HB2 GLN 50 1HB GLN 50 37.389 10.921 -4.306 54 HB3 GLN 50 2HB GLN 50 38.759 11.341 -5.320 55 HG2 GLN 50 1HG GLN 50 36.990 13.371 -3.868 56 HG3 GLN 50 2HG GLN 50 38.491 12.713 -3.236 57 HE21 GLN 50 2HE2 GLN 50 37.346 15.499 -4.687 58 HE22 GLN 50 1HE2 GLN 50 38.854 15.932 -5.481 59 H ASN 51 H ASN 51 35.185 10.135 -5.102 60 HA ASN 51 HA ASN 51 33.207 12.084 -4.302 61 HB2 ASN 51 1HB ASN 51 32.514 11.496 -6.689 62 HB3 ASN 51 2HB ASN 51 32.357 9.817 -6.160 63 HD21 ASN 51 2HD2 ASN 51 30.012 9.733 -6.480 64 HD22 ASN 51 1HD2 ASN 51 28.957 10.691 -5.472 65 H ALA 52 H ALA 52 31.615 10.984 -2.915 66 HA ALA 52 HA ALA 52 32.610 8.454 -1.676 67 HB1 ALA 52 3HB ALA 52 33.177 10.358 -0.274 68 HB2 ALA 52 1HB ALA 52 31.519 10.982 -0.379 69 HB3 ALA 52 2HB ALA 52 31.856 9.463 0.482 70 H LEU 53 H LEU 53 30.330 8.322 0.077 71 HA LEU 53 HA LEU 53 28.507 6.890 -1.555 72 HB2 LEU 53 1HB LEU 53 28.916 6.790 1.028 73 HB3 LEU 53 2HB LEU 53 27.880 8.207 1.105 74 HG LEU 53 HG LEU 53 26.073 6.724 -0.087 75 HD11 LEU 53 1HD1 LEU 53 26.297 4.347 0.296 76 HD12 LEU 53 2HD1 LEU 53 27.908 4.572 1.015 77 HD13 LEU 53 3HD1 LEU 53 27.621 4.903 -0.731 78 HD21 LEU 53 3HD2 LEU 53 26.977 6.229 2.743 79 HD22 LEU 53 1HD2 LEU 53 25.393 5.762 2.078 80 HD23 LEU 53 2HD2 LEU 53 25.841 7.470 2.187 81 H ARG 54 H ARG 54 26.258 7.353 -1.943 82 HA ARG 54 HA ARG 54 25.751 9.920 -3.096 83 HB2 ARG 54 1HB ARG 54 24.081 7.445 -2.468 84 HB3 ARG 54 2HB ARG 54 23.342 8.850 -3.217 85 HG2 ARG 54 1HG ARG 54 25.850 7.615 -4.439 86 HG3 ARG 54 2HG ARG 54 24.261 6.940 -4.751 87 HD2 ARG 54 1HD ARG 54 23.470 9.212 -5.489 88 HD3 ARG 54 2HD ARG 54 25.112 9.820 -5.270 89 HE ARG 54 HE ARG 54 25.796 8.789 -7.201 90 HH11 ARG 54 1HH1 ARG 54 22.587 7.402 -6.367 91 HH12 ARG 54 2HH1 ARG 54 22.219 7.184 -8.057 92 HH21 ARG 54 1HH2 ARG 54 25.352 8.130 -9.265 93 HH22 ARG 54 2HH2 ARG 54 23.972 7.112 -9.639 94 H ARG 55 H ARG 55 23.489 10.951 -2.489 95 HA ARG 55 HA ARG 55 23.410 11.468 0.428 96 HB2 ARG 55 1HB ARG 55 22.758 13.848 -0.299 97 HB3 ARG 55 2HB ARG 55 24.457 13.418 -0.311 98 HG2 ARG 55 1HG ARG 55 22.823 13.206 -2.851 99 HG3 ARG 55 2HG ARG 55 23.379 14.777 -2.300 100 HD2 ARG 55 1HD ARG 55 25.281 12.439 -2.807 101 HD3 ARG 55 2HD ARG 55 24.879 13.680 -3.987 102 HE ARG 55 HE ARG 55 25.708 15.315 -2.164 103 HH11 ARG 55 1HH1 ARG 55 27.341 12.134 -2.585 104 HH12 ARG 55 2HH1 ARG 55 28.888 12.898 -2.710 105 HH21 ARG 55 1HH2 ARG 55 27.712 16.144 -2.104 106 HH22 ARG 55 2HH2 ARG 55 29.127 15.150 -2.404 107 H THR 56 H THR 56 21.329 12.206 1.152 108 HA THR 56 HA THR 56 19.148 10.877 -0.359 109 HB THR 56 HB THR 56 19.120 11.812 2.518 110 HG1 THR 56 1HG THR 56 19.843 9.874 3.133 111 HG21 THR 56 3HG2 THR 56 16.944 11.112 1.481 112 HG22 THR 56 1HG2 THR 56 17.455 10.066 2.807 113 HG23 THR 56 2HG2 THR 56 17.654 9.528 1.127 114 H GLY 57 H GLY 57 19.655 13.945 1.619 115 HA2 GLY 57 1HA GLY 57 18.610 15.969 1.442 116 HA3 GLY 57 2HA GLY 57 18.361 15.594 -0.276 117 H ARG 58 H ARG 58 17.072 13.660 2.398 118 HA ARG 58 HA ARG 58 14.966 13.092 3.065 119 HB2 ARG 58 1HB ARG 58 13.980 15.768 2.033 120 HB3 ARG 58 2HB ARG 58 13.273 14.784 3.287 121 HG2 ARG 58 1HG ARG 58 15.989 16.149 3.508 122 HG3 ARG 58 2HG ARG 58 14.485 16.836 4.096 123 HD2 ARG 58 1HD ARG 58 15.568 14.143 5.037 124 HD3 ARG 58 2HD ARG 58 15.894 15.692 5.823 125 HE ARG 58 HE ARG 58 13.089 15.426 5.482 126 HH11 ARG 58 1HH1 ARG 58 15.680 14.097 7.531 127 HH12 ARG 58 2HH1 ARG 58 14.617 13.775 8.867 128 HH21 ARG 58 1HH2 ARG 58 11.706 14.949 7.189 129 HH22 ARG 58 2HH2 ARG 58 12.282 14.192 8.624 130 H VAL 59 H VAL 59 15.836 12.840 0.073 131 HA VAL 59 HA VAL 59 13.173 12.542 -1.091 132 HB VAL 59 HB VAL 59 15.955 12.080 -2.258 133 HG11 VAL 59 1HG1 VAL 59 14.885 12.026 -4.414 134 HG12 VAL 59 2HG1 VAL 59 14.224 10.747 -3.415 135 HG13 VAL 59 3HG1 VAL 59 13.272 12.214 -3.657 136 HG21 VAL 59 3HG2 VAL 59 14.032 14.441 -2.303 137 HG22 VAL 59 1HG2 VAL 59 15.743 14.415 -1.836 138 HG23 VAL 59 2HG2 VAL 59 15.288 14.223 -3.529 139 H ASN 60 H ASN 60 12.171 10.711 -1.565 140 HA ASN 60 HA ASN 60 13.427 8.068 -1.292 141 HB2 ASN 60 1HB ASN 60 10.920 9.079 0.128 142 HB3 ASN 60 2HB ASN 60 11.353 7.379 0.014 143 HD21 ASN 60 2HD2 ASN 60 13.899 7.051 0.649 144 HD22 ASN 60 1HD2 ASN 60 14.462 8.093 1.958 145 H GLY 61 H GLY 61 11.749 6.442 -2.042 146 HA2 GLY 61 1HA GLY 61 9.598 6.332 -3.453 147 HA3 GLY 61 2HA GLY 61 10.448 7.443 -4.544 148 H GLY 62 H GLY 62 9.857 4.173 -3.913 149 HA2 GLY 62 1HA GLY 62 10.527 2.397 -5.252 150 HA3 GLY 62 2HA GLY 62 11.934 3.320 -5.831 151 H HIS 63 H HIS 63 10.523 1.663 -3.030 152 HA HIS 63 HA HIS 63 13.223 1.168 -1.873 153 HB2 HIS 63 1HB HIS 63 10.602 1.992 -0.602 154 HB3 HIS 63 2HB HIS 63 11.879 1.186 0.332 155 HD1 HIS 63 HD1 HIS 63 14.226 2.582 0.670 156 HD2 HIS 63 HD2 HIS 63 11.030 4.506 -1.325 157 HE1 HIS 63 HE1 HIS 63 14.935 5.008 0.359 158 HA PRO 64 HA PRO 64 11.994 -3.018 -2.318 159 HB2 PRO 64 2HB PRO 64 13.425 -4.362 -0.440 160 HB3 PRO 64 3HB PRO 64 14.190 -3.578 -1.855 161 HG2 PRO 64 2HG PRO 64 13.902 -2.469 0.957 162 HG3 PRO 64 3HG PRO 64 15.371 -2.521 -0.066 163 HD2 PRO 64 2HD PRO 64 13.772 -0.308 0.107 164 HD3 PRO 64 3HD PRO 64 14.601 -0.743 -1.420 165 H VAL 65 H VAL 65 10.345 -4.291 -1.696 166 HA VAL 65 HA VAL 65 9.298 -4.050 1.046 167 HB VAL 65 HB VAL 65 7.035 -3.777 0.317 168 HG11 VAL 65 1HG1 VAL 65 7.104 -1.574 -0.794 169 HG12 VAL 65 2HG1 VAL 65 8.246 -1.680 0.563 170 HG13 VAL 65 3HG1 VAL 65 8.796 -1.756 -1.122 171 HG21 VAL 65 3HG2 VAL 65 6.368 -3.409 -2.037 172 HG22 VAL 65 1HG2 VAL 65 8.000 -3.881 -2.564 173 HG23 VAL 65 2HG2 VAL 65 6.935 -5.050 -1.734 174 H THR 66 H THR 66 7.891 -5.867 1.614 175 HA THR 66 HA THR 66 8.382 -8.284 -0.041 176 HB THR 66 HB THR 66 8.298 -9.348 2.387 177 HG1 THR 66 1HG THR 66 9.718 -7.781 3.658 178 HG21 THR 66 3HG2 THR 66 10.716 -9.369 2.420 179 HG22 THR 66 1HG2 THR 66 10.791 -7.921 1.391 180 HG23 THR 66 2HG2 THR 66 10.175 -9.461 0.747 181 H THR 67 H THR 67 6.781 -9.977 0.321 182 HA THR 67 HA THR 67 4.219 -9.264 -0.212 183 HB THR 67 HB THR 67 5.270 -11.749 1.219 184 HG1 THR 67 1HG THR 67 6.028 -12.383 -0.786 185 HG21 THR 67 3HG2 THR 67 3.013 -11.234 -0.806 186 HG22 THR 67 1HG2 THR 67 2.865 -11.886 0.843 187 HG23 THR 67 2HG2 THR 67 3.632 -12.851 -0.438 188 H GLN 68 H GLN 68 5.673 -9.910 2.967 189 HA GLN 68 HA GLN 68 3.372 -9.927 4.577 190 HB2 GLN 68 1HB GLN 68 4.935 -9.509 6.419 191 HB3 GLN 68 2HB GLN 68 5.616 -10.657 5.274 192 HG2 GLN 68 1HG GLN 68 6.632 -8.318 4.240 193 HG3 GLN 68 2HG GLN 68 6.423 -7.823 5.907 194 HE21 GLN 68 2HE2 GLN 68 7.574 -11.002 4.408 195 HE22 GLN 68 1HE2 GLN 68 9.182 -10.775 5.056 196 H MET 69 H MET 69 5.296 -7.094 3.342 197 HA MET 69 HA MET 69 3.932 -5.187 4.966 198 HB2 MET 69 1HB MET 69 5.332 -4.905 2.271 199 HB3 MET 69 2HB MET 69 4.787 -3.556 3.265 200 HG2 MET 69 1HG MET 69 6.289 -4.188 5.068 201 HG3 MET 69 2HG MET 69 6.724 -5.675 4.239 202 HE1 MET 69 3HE MET 69 7.182 -1.807 4.439 203 HE2 MET 69 1HE MET 69 8.190 -1.450 3.022 204 HE3 MET 69 2HE MET 69 6.483 -1.885 2.795 205 H VAL 70 H VAL 70 3.206 -6.642 1.817 206 HA VAL 70 HA VAL 70 1.037 -4.970 1.165 207 HB VAL 70 HB VAL 70 1.280 -7.883 0.348 208 HG11 VAL 70 1HG1 VAL 70 0.087 -7.221 -1.618 209 HG12 VAL 70 2HG1 VAL 70 -0.823 -6.739 -0.172 210 HG13 VAL 70 3HG1 VAL 70 0.080 -5.522 -1.103 211 HG21 VAL 70 3HG2 VAL 70 2.555 -7.089 -1.618 212 HG22 VAL 70 1HG2 VAL 70 2.695 -5.486 -0.860 213 HG23 VAL 70 2HG2 VAL 70 3.450 -6.911 -0.111 214 H GLU 71 H GLU 71 1.068 -8.171 2.775 215 HA GLU 71 HA GLU 71 -1.764 -8.108 3.269 216 HB2 GLU 71 1HB GLU 71 -1.275 -9.791 5.102 217 HB3 GLU 71 2HB GLU 71 -0.978 -10.267 3.408 218 HG2 GLU 71 1HG GLU 71 1.325 -10.129 3.660 219 HG3 GLU 71 2HG GLU 71 1.175 -9.171 5.116 220 H THR 72 H THR 72 0.991 -6.886 5.284 221 HA THR 72 HA THR 72 -0.519 -6.316 7.575 222 HB THR 72 HB THR 72 1.603 -4.431 6.519 223 HG1 THR 72 1HG THR 72 2.399 -6.394 8.321 224 HG21 THR 72 3HG2 THR 72 0.710 -5.236 9.354 225 HG22 THR 72 1HG2 THR 72 0.412 -3.670 8.578 226 HG23 THR 72 2HG2 THR 72 2.059 -4.138 8.995 227 H VAL 73 H VAL 73 0.133 -3.955 4.869 228 HA VAL 73 HA VAL 73 -1.747 -2.026 5.676 229 HB VAL 73 HB VAL 73 -0.958 -2.828 2.861 230 HG11 VAL 73 1HG1 VAL 73 -2.110 -0.152 3.760 231 HG12 VAL 73 2HG1 VAL 73 -1.581 -0.569 2.128 232 HG13 VAL 73 3HG1 VAL 73 -2.996 -1.364 2.808 233 HG21 VAL 73 3HG2 VAL 73 0.590 -0.947 2.949 234 HG22 VAL 73 1HG2 VAL 73 0.165 -0.641 4.638 235 HG23 VAL 73 2HG2 VAL 73 0.976 -2.162 4.175 236 H GLN 74 H GLN 74 -2.261 -4.815 3.456 237 HA GLN 74 HA GLN 74 -4.959 -4.265 2.819 238 HB2 GLN 74 1HB GLN 74 -3.529 -6.007 1.695 239 HB3 GLN 74 2HB GLN 74 -3.660 -6.996 3.140 240 HG2 GLN 74 1HG GLN 74 -5.180 -7.940 1.670 241 HG3 GLN 74 2HG GLN 74 -6.189 -7.033 2.789 242 HE21 GLN 74 2HE2 GLN 74 -6.758 -4.581 1.842 243 HE22 GLN 74 1HE2 GLN 74 -7.133 -4.613 0.147 244 H ASN 75 H ASN 75 -3.664 -6.104 5.616 245 HA ASN 75 HA ASN 75 -6.181 -6.979 6.630 246 HB2 ASN 75 1HB ASN 75 -3.539 -6.472 8.037 247 HB3 ASN 75 2HB ASN 75 -4.970 -7.149 8.817 248 HD21 ASN 75 2HD2 ASN 75 -2.129 -8.181 7.553 249 HD22 ASN 75 1HD2 ASN 75 -2.644 -9.767 7.082 250 H LEU 76 H LEU 76 -4.201 -4.048 7.236 251 HA LEU 76 HA LEU 76 -6.166 -2.972 9.083 252 HB2 LEU 76 1HB LEU 76 -3.952 -1.457 7.676 253 HB3 LEU 76 2HB LEU 76 -4.832 -0.992 9.130 254 HG LEU 76 HG LEU 76 -2.619 -2.988 8.745 255 HD11 LEU 76 1HD1 LEU 76 -1.629 -1.903 10.607 256 HD12 LEU 76 2HD1 LEU 76 -3.120 -0.994 10.956 257 HD13 LEU 76 3HD1 LEU 76 -2.185 -0.694 9.467 258 HD21 LEU 76 3HD2 LEU 76 -4.611 -3.205 11.013 259 HD22 LEU 76 1HD2 LEU 76 -2.954 -3.837 11.091 260 HD23 LEU 76 2HD2 LEU 76 -4.076 -4.487 9.904 261 H ALA 77 H ALA 77 -5.743 -2.771 5.605 262 HA ALA 77 HA ALA 77 -8.085 -0.969 5.316 263 HB1 ALA 77 3HB ALA 77 -7.028 -0.234 3.197 264 HB2 ALA 77 1HB ALA 77 -6.079 0.196 4.603 265 HB3 ALA 77 2HB ALA 77 -5.577 -1.172 3.593 266 HA PRO 78 HA PRO 78 -9.035 -5.002 3.254 267 HB2 PRO 78 2HB PRO 78 -11.739 -5.070 3.791 268 HB3 PRO 78 3HB PRO 78 -10.481 -5.612 4.933 269 HG2 PRO 78 2HG PRO 78 -11.841 -2.927 4.834 270 HG3 PRO 78 3HG PRO 78 -11.620 -3.990 6.264 271 HD2 PRO 78 2HD PRO 78 -9.938 -1.912 5.773 272 HD3 PRO 78 3HD PRO 78 -9.299 -3.472 6.380 273 H ASN 79 H ASN 79 -10.349 -1.763 2.973 274 HA ASN 79 HA ASN 79 -11.898 -2.205 0.544 275 HB2 ASN 79 1HB ASN 79 -12.106 -0.423 2.517 276 HB3 ASN 79 2HB ASN 79 -11.020 0.506 1.476 277 HD21 ASN 79 2HD2 ASN 79 -11.840 0.224 -1.011 278 HD22 ASN 79 1HD2 ASN 79 -13.545 0.645 -1.205 279 H LEU 80 H LEU 80 -8.493 -1.622 1.138 280 HA LEU 80 HA LEU 80 -8.119 -0.320 -1.457 281 HB2 LEU 80 1HB LEU 80 -6.241 -1.364 0.693 282 HB3 LEU 80 2HB LEU 80 -5.645 -0.778 -0.860 283 HG LEU 80 HG LEU 80 -7.183 0.847 1.193 284 HD11 LEU 80 1HD1 LEU 80 -4.284 0.874 0.258 285 HD12 LEU 80 2HD1 LEU 80 -4.895 0.447 1.860 286 HD13 LEU 80 3HD1 LEU 80 -5.014 2.116 1.285 287 HD21 LEU 80 3HD2 LEU 80 -6.582 2.819 -0.323 288 HD22 LEU 80 1HD2 LEU 80 -7.891 1.786 -0.866 289 HD23 LEU 80 2HD2 LEU 80 -6.301 1.635 -1.613 290 H HIS 81 H HIS 81 -6.844 -1.223 -3.177 291 HA HIS 81 HA HIS 81 -7.601 -3.965 -3.767 292 HB2 HIS 81 1HB HIS 81 -7.560 -1.955 -5.379 293 HB3 HIS 81 2HB HIS 81 -5.807 -2.049 -5.290 294 HD2 HIS 81 HD2 HIS 81 -8.894 -3.847 -6.630 295 HE1 HIS 81 HE1 HIS 81 -5.542 -5.615 -8.553 296 HE2 HIS 81 HE2 HIS 81 -8.076 -5.429 -8.553 297 HA PRO 82 HA PRO 82 -3.746 -5.543 -2.167 298 HB2 PRO 82 2HB PRO 82 -3.342 -7.807 -3.652 299 HB3 PRO 82 3HB PRO 82 -4.567 -7.661 -2.362 300 HG2 PRO 82 2HG PRO 82 -4.955 -7.301 -5.349 301 HG3 PRO 82 3HG PRO 82 -5.931 -8.295 -4.222 302 HD2 PRO 82 2HD PRO 82 -6.690 -5.780 -4.945 303 HD3 PRO 82 3HD PRO 82 -6.939 -6.321 -3.269 304 H GLU 83 H GLU 83 -4.066 -5.008 -5.693 305 HA GLU 83 HA GLU 83 -1.250 -5.179 -6.064 306 HB2 GLU 83 1HB GLU 83 -3.472 -5.355 -7.692 307 HB3 GLU 83 2HB GLU 83 -2.923 -3.724 -8.111 308 HG2 GLU 83 1HG GLU 83 -2.048 -5.385 -9.648 309 HG3 GLU 83 2HG GLU 83 -0.714 -4.730 -8.708 310 H GLN 84 H GLN 84 -3.488 -2.458 -5.631 311 HA GLN 84 HA GLN 84 -1.637 -0.340 -6.179 312 HB2 GLN 84 1HB GLN 84 -3.966 -0.445 -4.216 313 HB3 GLN 84 2HB GLN 84 -3.119 1.012 -4.739 314 HG2 GLN 84 1HG GLN 84 -3.984 0.788 -6.995 315 HG3 GLN 84 2HG GLN 84 -4.731 -0.757 -6.604 316 HE21 GLN 84 2HE2 GLN 84 -4.669 2.707 -5.546 317 HE22 GLN 84 1HE2 GLN 84 -6.290 2.732 -4.919 318 H ILE 85 H ILE 85 -2.312 -2.288 -3.240 319 HA ILE 85 HA ILE 85 -0.932 -0.730 -1.364 320 HB ILE 85 HB ILE 85 -1.425 -3.708 -1.523 321 HG12 ILE 85 1HG1 ILE 85 -2.640 -1.610 0.336 322 HG13 ILE 85 2HG1 ILE 85 -3.357 -2.003 -1.205 323 HG21 ILE 85 1HG2 ILE 85 0.567 -3.367 -0.146 324 HG22 ILE 85 2HG2 ILE 85 -0.223 -2.070 0.762 325 HG23 ILE 85 3HG2 ILE 85 -0.784 -3.757 0.886 326 HD11 ILE 85 3HD1 ILE 85 -2.937 -3.906 1.117 327 HD12 ILE 85 1HD1 ILE 85 -4.475 -3.363 0.407 328 HD13 ILE 85 2HD1 ILE 85 -3.389 -4.437 -0.507 329 H ARG 86 H ARG 86 0.426 -3.636 -3.141 330 HA ARG 86 HA ARG 86 3.059 -3.205 -2.241 331 HB2 ARG 86 1HB ARG 86 2.570 -5.251 -3.262 332 HB3 ARG 86 2HB ARG 86 1.967 -4.503 -4.732 333 HG2 ARG 86 1HG ARG 86 4.846 -4.011 -3.908 334 HG3 ARG 86 2HG ARG 86 4.424 -5.560 -4.621 335 HD2 ARG 86 1HD ARG 86 3.844 -4.699 -6.656 336 HD3 ARG 86 2HD ARG 86 3.349 -3.150 -6.069 337 HE ARG 86 HE ARG 86 5.490 -2.339 -5.990 338 HH11 ARG 86 1HH1 ARG 86 5.183 -5.581 -7.498 339 HH12 ARG 86 2HH1 ARG 86 6.829 -5.757 -7.944 340 HH21 ARG 86 1HH2 ARG 86 7.991 -2.741 -6.578 341 HH22 ARG 86 2HH2 ARG 86 8.314 -4.077 -7.580 342 H TYR 87 H TYR 87 1.474 -1.561 -5.015 343 HA TYR 87 HA TYR 87 3.872 -0.337 -5.935 344 HB2 TYR 87 2HB TYR 87 1.721 -0.461 -7.207 345 HB3 TYR 87 3HB TYR 87 0.990 0.715 -6.138 346 HD1 TYR 87 2HD TYR 87 4.325 0.480 -7.927 347 HD2 TYR 87 1HD TYR 87 0.792 2.842 -7.079 348 HE1 TYR 87 2HE TYR 87 5.222 2.268 -9.263 349 HE2 TYR 87 1HE TYR 87 1.733 4.695 -8.412 350 HH TYR 87 HH TYR 87 5.035 4.731 -9.511 351 H SER 88 H SER 88 1.428 0.704 -3.675 352 HA SER 88 HA SER 88 2.554 3.282 -3.157 353 HB2 SER 88 1HB SER 88 1.010 3.366 -1.207 354 HB3 SER 88 2HB SER 88 0.304 3.076 -2.813 355 HG SER 88 HG SER 88 -0.031 0.983 -2.356 356 H LEU 89 H LEU 89 2.840 0.163 -1.456 357 HA LEU 89 HA LEU 89 4.605 0.966 0.635 358 HB2 LEU 89 1HB LEU 89 4.553 -1.624 -0.968 359 HB3 LEU 89 2HB LEU 89 5.431 -1.381 0.545 360 HG LEU 89 HG LEU 89 2.421 -1.057 0.385 361 HD11 LEU 89 1HD1 LEU 89 2.413 -3.291 1.489 362 HD12 LEU 89 2HD1 LEU 89 4.132 -3.475 1.025 363 HD13 LEU 89 3HD1 LEU 89 2.879 -3.328 -0.202 364 HD21 LEU 89 3HD2 LEU 89 4.393 -1.245 2.654 365 HD22 LEU 89 1HD2 LEU 89 2.642 -1.470 2.814 366 HD23 LEU 89 2HD2 LEU 89 3.295 0.075 2.237 367 H GLU 90 H GLU 90 5.401 0.196 -2.836 368 HA GLU 90 HA GLU 90 8.271 0.421 -2.337 369 HB2 GLU 90 1HB GLU 90 6.475 0.217 -4.746 370 HB3 GLU 90 2HB GLU 90 8.033 0.963 -5.016 371 HG2 GLU 90 1HG GLU 90 8.281 -1.508 -3.404 372 HG3 GLU 90 2HG GLU 90 7.425 -1.774 -4.902 373 H ASN 91 H ASN 91 5.696 2.657 -3.184 374 HA ASN 91 HA ASN 91 7.460 4.900 -3.827 375 HB2 ASN 91 1HB ASN 91 4.470 4.726 -3.234 376 HB3 ASN 91 2HB ASN 91 5.318 6.249 -3.393 377 HD21 ASN 91 2HD2 ASN 91 5.255 3.145 -5.346 378 HD22 ASN 91 1HD2 ASN 91 5.199 4.012 -6.856 379 H THR 92 H THR 92 5.529 4.003 -0.886 380 HA THR 92 HA THR 92 6.378 6.266 0.672 381 HB THR 92 HB THR 92 4.934 5.167 2.332 382 HG1 THR 92 1HG THR 92 4.019 3.203 1.923 383 HG21 THR 92 3HG2 THR 92 3.721 5.168 -0.448 384 HG22 THR 92 1HG2 THR 92 3.765 6.497 0.720 385 HG23 THR 92 2HG2 THR 92 2.828 5.021 1.065 386 H GLY 93 H GLY 93 7.284 2.838 0.445 387 HA2 GLY 93 1HA GLY 93 9.241 1.839 1.057 388 HA3 GLY 93 2HA GLY 93 9.759 3.294 1.929 389 H SER 94 H SER 94 6.789 2.993 3.229 390 HA SER 94 HA SER 94 7.399 0.767 5.054 391 HB2 SER 94 1HB SER 94 6.557 3.533 5.977 392 HB3 SER 94 2HB SER 94 7.044 2.161 6.978 393 HG SER 94 HG SER 94 8.477 3.991 6.626 394 H VAL 95 H VAL 95 5.681 -0.115 5.987 395 HA VAL 95 HA VAL 95 3.070 0.054 4.805 396 HB VAL 95 HB VAL 95 4.144 -1.212 7.355 397 HG11 VAL 95 1HG1 VAL 95 1.799 -0.732 7.820 398 HG12 VAL 95 2HG1 VAL 95 1.326 -1.600 6.341 399 HG13 VAL 95 3HG1 VAL 95 2.156 -2.425 7.666 400 HG21 VAL 95 3HG2 VAL 95 4.908 -2.226 5.267 401 HG22 VAL 95 1HG2 VAL 95 3.870 -3.308 6.200 402 HG23 VAL 95 2HG2 VAL 95 3.210 -2.480 4.778 403 H GLU 96 H GLU 96 4.430 1.193 7.956 404 HA GLU 96 HA GLU 96 2.258 2.290 9.121 405 HB2 GLU 96 1HB GLU 96 3.718 3.576 10.446 406 HB3 GLU 96 2HB GLU 96 4.630 2.130 9.987 407 HG2 GLU 96 1HG GLU 96 5.811 3.406 8.248 408 HG3 GLU 96 2HG GLU 96 4.933 4.863 8.699 409 H GLU 97 H GLU 97 4.258 3.883 6.666 410 HA GLU 97 HA GLU 97 2.919 6.361 6.577 411 HB2 GLU 97 1HB GLU 97 5.217 5.933 5.733 412 HB3 GLU 97 2HB GLU 97 4.591 4.857 4.514 413 HG2 GLU 97 1HG GLU 97 5.184 6.937 3.495 414 HG3 GLU 97 2HG GLU 97 3.450 6.707 3.377 415 H THR 98 H THR 98 2.686 3.450 4.436 416 HA THR 98 HA THR 98 0.628 4.296 2.755 417 HB THR 98 HB THR 98 1.250 1.490 3.727 418 HG1 THR 98 1HG THR 98 2.532 1.675 1.697 419 HG21 THR 98 3HG2 THR 98 0.209 2.503 1.062 420 HG22 THR 98 1HG2 THR 98 -0.804 1.716 2.304 421 HG23 THR 98 2HG2 THR 98 0.494 0.814 1.491 422 H VAL 99 H VAL 99 0.437 2.869 5.957 423 HA VAL 99 HA VAL 99 -2.451 2.557 5.939 424 HB VAL 99 HB VAL 99 -0.400 2.557 8.194 425 HG11 VAL 99 1HG1 VAL 99 -2.643 3.094 9.115 426 HG12 VAL 99 2HG1 VAL 99 -3.309 1.642 8.327 427 HG13 VAL 99 3HG1 VAL 99 -2.085 1.513 9.624 428 HG21 VAL 99 3HG2 VAL 99 -0.315 0.641 6.466 429 HG22 VAL 99 1HG2 VAL 99 -0.456 0.192 8.166 430 HG23 VAL 99 2HG2 VAL 99 -1.872 0.127 7.106 431 H GLU 100 H GLU 100 -0.182 5.074 7.092 432 HA GLU 100 HA GLU 100 -2.096 6.694 8.467 433 HB2 GLU 100 1HB GLU 100 0.715 7.074 7.382 434 HB3 GLU 100 2HB GLU 100 -0.180 8.452 8.032 435 HG2 GLU 100 1HG GLU 100 -0.263 7.618 10.170 436 HG3 GLU 100 2HG GLU 100 -0.179 5.946 9.683 437 H ARG 101 H ARG 101 -0.855 6.720 5.162 438 HA ARG 101 HA ARG 101 -2.558 8.978 4.441 439 HB2 ARG 101 1HB ARG 101 -1.823 8.479 2.088 440 HB3 ARG 101 2HB ARG 101 -0.555 8.823 3.259 441 HG2 ARG 101 1HG ARG 101 -0.676 6.078 3.382 442 HG3 ARG 101 2HG ARG 101 -1.180 6.313 1.758 443 HD2 ARG 101 1HD ARG 101 1.319 7.472 3.035 444 HD3 ARG 101 2HD ARG 101 1.270 6.044 2.021 445 HE ARG 101 HE ARG 101 0.302 7.416 0.223 446 HH11 ARG 101 1HH1 ARG 101 2.571 8.943 2.594 447 HH12 ARG 101 2HH1 ARG 101 3.414 9.806 1.387 448 HH21 ARG 101 1HH2 ARG 101 1.142 8.987 -1.284 449 HH22 ARG 101 2HH2 ARG 101 2.475 9.990 -0.792 450 H TYR 102 H TYR 102 -2.935 5.482 4.306 451 HA TYR 102 HA TYR 102 -5.252 5.387 2.632 452 HB2 TYR 102 2HB TYR 102 -4.278 3.377 3.043 453 HB3 TYR 102 3HB TYR 102 -3.974 3.659 4.741 454 HD1 TYR 102 1HD TYR 102 -6.862 3.181 2.396 455 HD2 TYR 102 2HD TYR 102 -5.327 2.752 6.411 456 HE1 TYR 102 1HE TYR 102 -8.943 2.065 3.066 457 HE2 TYR 102 2HE TYR 102 -7.443 1.661 7.103 458 HH TYR 102 HH TYR 102 -10.236 1.449 4.923 459 H LEU 103 H LEU 103 -4.984 5.425 6.245 460 HA LEU 103 HA LEU 103 -7.797 5.587 6.608 461 HB2 LEU 103 1HB LEU 103 -7.337 6.130 8.927 462 HB3 LEU 103 2HB LEU 103 -6.384 4.781 8.326 463 HG LEU 103 HG LEU 103 -4.481 6.544 8.021 464 HD11 LEU 103 1HD1 LEU 103 -5.589 8.646 8.488 465 HD12 LEU 103 2HD1 LEU 103 -4.525 8.296 9.828 466 HD13 LEU 103 3HD1 LEU 103 -6.275 8.013 9.989 467 HD21 LEU 103 3HD2 LEU 103 -3.715 6.090 10.276 468 HD22 LEU 103 1HD2 LEU 103 -4.502 4.659 9.621 469 HD23 LEU 103 2HD2 LEU 103 -5.362 5.680 10.797 470 H ARG 104 H ARG 104 -5.480 8.054 5.819 471 HA ARG 104 HA ARG 104 -7.349 10.191 6.596 472 HB2 ARG 104 1HB ARG 104 -5.715 11.704 6.353 473 HB3 ARG 104 2HB ARG 104 -4.703 10.284 6.532 474 HG2 ARG 104 1HG ARG 104 -4.882 10.274 3.863 475 HG3 ARG 104 2HG ARG 104 -5.301 11.956 4.062 476 HD2 ARG 104 1HD ARG 104 -2.855 10.937 5.515 477 HD3 ARG 104 2HD ARG 104 -2.796 11.001 3.746 478 HE ARG 104 HE ARG 104 -3.735 13.489 4.779 479 HH11 ARG 104 1HH1 ARG 104 -0.774 11.537 4.610 480 HH12 ARG 104 2HH1 ARG 104 0.288 12.845 4.332 481 HH21 ARG 104 1HH2 ARG 104 -2.268 15.329 4.465 482 HH22 ARG 104 2HH2 ARG 104 -0.585 15.047 4.328 483 H GLY 105 H GLY 105 -7.104 8.083 3.905 484 HA2 GLY 105 1HA GLY 105 -8.538 7.949 2.131 485 HA3 GLY 105 2HA GLY 105 -9.241 9.516 2.545 486 H ASP 106 H ASP 106 -5.750 8.777 1.989 487 HA ASP 106 HA ASP 106 -5.596 11.021 0.171 488 HB2 ASP 106 1HB ASP 106 -3.736 10.083 1.818 489 HB3 ASP 106 2HB ASP 106 -3.337 9.063 0.415 490 H GLU 107 H GLU 107 -3.927 10.396 -1.858 491 HA GLU 107 HA GLU 107 -5.576 8.737 -3.619 492 HB2 GLU 107 1HB GLU 107 -4.316 9.793 -5.369 493 HB3 GLU 107 2HB GLU 107 -4.953 10.988 -4.220 494 HG2 GLU 107 1HG GLU 107 -2.693 11.069 -3.124 495 HG3 GLU 107 2HG GLU 107 -2.093 10.001 -4.401 496 H PHE 108 H PHE 108 -5.086 6.974 -4.591 497 HA PHE 108 HA PHE 108 -2.461 5.684 -4.125 498 HB2 PHE 108 2HB PHE 108 -5.223 4.596 -3.477 499 HB3 PHE 108 3HB PHE 108 -3.833 3.564 -3.783 500 HD1 PHE 108 2HD PHE 108 -5.151 6.176 -1.414 501 HD2 PHE 108 1HD PHE 108 -2.169 3.136 -2.183 502 HE1 PHE 108 2HE PHE 108 -4.450 6.298 0.905 503 HE2 PHE 108 1HE PHE 108 -1.595 3.134 0.209 504 HZ PHE 108 HZ PHE 108 -2.708 4.702 1.775 505 H SER 109 H SER 109 -1.751 5.495 -6.048 506 HA SER 109 HA SER 109 -3.459 4.889 -8.381 507 HB2 SER 109 1HB SER 109 -0.501 5.597 -8.152 508 HB3 SER 109 2HB SER 109 -1.370 5.335 -9.676 509 HG SER 109 HG SER 109 -2.892 7.042 -8.480 510 H PHE 110 H PHE 110 -2.032 3.341 -10.001 511 HA PHE 110 HA PHE 110 -1.769 0.748 -8.596 512 HB2 PHE 110 2HB PHE 110 -2.906 1.553 -11.297 513 HB3 PHE 110 3HB PHE 110 -2.376 -0.082 -11.005 514 HD1 PHE 110 1HD PHE 110 -4.769 2.533 -9.726 515 HD2 PHE 110 2HD PHE 110 -3.771 -1.680 -9.865 516 HE1 PHE 110 1HE PHE 110 -6.969 1.961 -8.813 517 HE2 PHE 110 2HE PHE 110 -5.989 -2.222 -8.947 518 HZ PHE 110 HZ PHE 110 -7.605 -0.418 -8.408 519 HA PRO 111 HA PRO 111 2.353 0.562 -10.160 520 HB2 PRO 111 2HB PRO 111 2.742 -2.143 -10.600 521 HB3 PRO 111 3HB PRO 111 2.560 -1.443 -8.972 522 HG2 PRO 111 2HG PRO 111 0.468 -2.760 -10.722 523 HG3 PRO 111 3HG PRO 111 0.802 -3.050 -8.985 524 HD2 PRO 111 2HD PRO 111 -1.204 -1.434 -9.819 525 HD3 PRO 111 3HD PRO 111 -0.262 -1.067 -8.344 526 HA PRO 112 HA PRO 112 2.662 0.337 -14.589 527 HB2 PRO 112 2HB PRO 112 5.195 -0.640 -15.043 528 HB3 PRO 112 3HB PRO 112 4.879 1.016 -14.436 529 HG2 PRO 112 2HG PRO 112 5.595 -1.470 -12.848 530 HG3 PRO 112 3HG PRO 112 6.304 0.172 -12.707 531 HD2 PRO 112 2HD PRO 112 4.390 -0.707 -11.015 532 HD3 PRO 112 3HD PRO 112 4.391 0.985 -11.580 533 H GLY 113 H GLY 113 1.947 -1.180 -16.108 534 HA2 GLY 113 1HA GLY 113 1.914 -3.257 -17.152 535 HA3 GLY 113 2HA GLY 113 2.390 -4.075 -15.655 536 H PHE 114 H PHE 114 0.173 -1.889 -14.507 537 HA PHE 114 HA PHE 114 -1.941 -3.929 -14.467 538 HB2 PHE 114 2HB PHE 114 -1.372 -2.521 -12.487 539 HB3 PHE 114 3HB PHE 114 -1.879 -1.088 -13.379 540 HD1 PHE 114 2HD PHE 114 -3.047 -4.274 -11.833 541 HD2 PHE 114 1HD PHE 114 -4.224 -0.598 -13.754 542 HE1 PHE 114 2HE PHE 114 -5.403 -4.673 -11.148 543 HE2 PHE 114 1HE PHE 114 -6.581 -0.985 -13.035 544 HZ PHE 114 HZ PHE 114 -7.165 -3.022 -11.735 545 H GLU 115 H GLU 115 -1.152 -1.016 -16.235 546 HA GLU 115 HA GLU 115 -3.792 -0.913 -17.531 547 HB2 GLU 115 1HB GLU 115 -3.123 1.266 -18.379 548 HB3 GLU 115 2HB GLU 115 -3.095 1.180 -16.622 549 HG2 GLU 115 1HG GLU 115 -0.612 0.923 -16.675 550 HG3 GLU 115 2HG GLU 115 -0.667 1.064 -18.453 Start of MODEL 19 1 H1 GLY 41 H GLY 41 0.648 33.248 24.936 2 HA2 GLY 41 1HA GLY 41 -1.178 34.414 23.722 3 HA3 GLY 41 2HA GLY 41 0.106 35.275 22.823 4 H ALA 42 H ALA 42 0.092 34.339 20.707 5 HA ALA 42 HA ALA 42 -0.550 31.552 20.323 6 HB1 ALA 42 3HB ALA 42 0.244 32.013 18.016 7 HB2 ALA 42 1HB ALA 42 -0.896 33.259 18.553 8 HB3 ALA 42 2HB ALA 42 0.857 33.592 18.525 9 H MET 43 H MET 43 1.093 30.022 19.408 10 HA MET 43 HA MET 43 3.808 30.377 20.608 11 HB2 MET 43 1HB MET 43 2.333 28.671 21.697 12 HB3 MET 43 2HB MET 43 2.256 27.777 20.189 13 HG2 MET 43 1HG MET 43 4.791 28.395 21.770 14 HG3 MET 43 2HG MET 43 3.867 26.901 21.865 15 HE1 MET 43 3HE MET 43 5.869 25.294 21.439 16 HE2 MET 43 1HE MET 43 7.086 25.563 20.177 17 HE3 MET 43 2HE MET 43 6.917 26.732 21.505 18 H GLY 44 H GLY 44 2.808 27.867 18.341 19 HA2 GLY 44 1HA GLY 44 3.313 29.081 15.839 20 HA3 GLY 44 2HA GLY 44 4.844 28.447 16.474 21 HA PRO 45 HA PRO 45 1.887 24.648 16.362 22 HB2 PRO 45 2HB PRO 45 -0.456 24.790 14.936 23 HB3 PRO 45 3HB PRO 45 -0.310 25.292 16.645 24 HG2 PRO 45 2HG PRO 45 -0.215 27.068 14.204 25 HG3 PRO 45 3HG PRO 45 -1.180 27.278 15.702 26 HD2 PRO 45 2HD PRO 45 1.203 28.543 15.351 27 HD3 PRO 45 3HD PRO 45 0.710 27.912 16.951 28 H GLN 46 H GLN 46 2.502 26.696 13.553 29 HA GLN 46 HA GLN 46 3.555 24.481 12.047 30 HB2 GLN 46 1HB GLN 46 1.982 24.754 10.123 31 HB3 GLN 46 2HB GLN 46 1.172 24.177 11.568 32 HG2 GLN 46 1HG GLN 46 0.446 26.592 12.008 33 HG3 GLN 46 2HG GLN 46 1.128 26.988 10.423 34 HE21 GLN 46 2HE2 GLN 46 -0.863 27.580 9.503 35 HE22 GLN 46 1HE2 GLN 46 -2.152 26.401 9.210 36 H GLY 47 H GLY 47 4.159 25.385 9.760 37 HA2 GLY 47 1HA GLY 47 4.406 27.844 8.797 38 HA3 GLY 47 2HA GLY 47 5.576 27.923 10.130 39 H SER 48 H SER 48 4.762 26.229 7.114 40 HA SER 48 HA SER 48 7.567 25.673 6.632 41 HB2 SER 48 1HB SER 48 5.538 23.401 6.730 42 HB3 SER 48 2HB SER 48 7.199 23.282 6.129 43 HG SER 48 HG SER 48 7.101 24.406 8.603 44 H THR 49 H THR 49 7.899 26.136 4.530 45 HA THR 49 HA THR 49 5.592 26.785 2.860 46 HB THR 49 HB THR 49 7.561 28.278 3.235 47 HG1 THR 49 1HG THR 49 6.244 28.519 1.462 48 HG21 THR 49 3HG2 THR 49 9.379 26.562 3.171 49 HG22 THR 49 1HG2 THR 49 9.655 27.933 2.098 50 HG23 THR 49 2HG2 THR 49 9.105 26.381 1.426 51 H GLN 50 H GLN 50 5.646 25.980 0.471 52 HA GLN 50 HA GLN 50 6.529 23.122 0.397 53 HB2 GLN 50 1HB GLN 50 3.954 24.435 -0.501 54 HB3 GLN 50 2HB GLN 50 4.556 22.965 -1.253 55 HG2 GLN 50 1HG GLN 50 3.085 22.186 0.341 56 HG3 GLN 50 2HG GLN 50 4.653 21.941 1.098 57 HE21 GLN 50 2HE2 GLN 50 4.940 22.844 3.156 58 HE22 GLN 50 1HE2 GLN 50 3.955 24.138 3.799 59 H ASN 51 H ASN 51 8.209 22.976 -0.869 60 HA ASN 51 HA ASN 51 8.072 24.001 -3.608 61 HB2 ASN 51 1HB ASN 51 10.390 24.877 -3.559 62 HB3 ASN 51 2HB ASN 51 9.240 25.799 -2.610 63 HD21 ASN 51 2HD2 ASN 51 11.540 22.940 -1.871 64 HD22 ASN 51 1HD2 ASN 51 12.133 23.816 -0.468 65 H ALA 52 H ALA 52 10.000 23.008 -4.892 66 HA ALA 52 HA ALA 52 9.805 20.170 -4.595 67 HB1 ALA 52 3HB ALA 52 11.700 21.898 -6.250 68 HB2 ALA 52 1HB ALA 52 11.528 20.142 -6.418 69 HB3 ALA 52 2HB ALA 52 10.149 21.190 -6.775 70 H LEU 53 H LEU 53 11.646 18.716 -4.400 71 HA LEU 53 HA LEU 53 13.742 19.588 -2.488 72 HB2 LEU 53 1HB LEU 53 11.612 17.563 -2.224 73 HB3 LEU 53 2HB LEU 53 13.176 16.785 -2.192 74 HG LEU 53 HG LEU 53 12.170 17.421 0.024 75 HD11 LEU 53 1HD1 LEU 53 14.298 18.160 1.033 76 HD12 LEU 53 2HD1 LEU 53 14.945 18.483 -0.587 77 HD13 LEU 53 3HD1 LEU 53 14.515 16.834 -0.113 78 HD21 LEU 53 3HD2 LEU 53 13.124 20.234 -0.571 79 HD22 LEU 53 1HD2 LEU 53 12.180 19.637 0.817 80 HD23 LEU 53 2HD2 LEU 53 11.426 19.733 -0.773 81 H ARG 54 H ARG 54 15.692 18.658 -2.716 82 HA ARG 54 HA ARG 54 16.554 18.084 -5.320 83 HB2 ARG 54 1HB ARG 54 18.688 17.856 -4.352 84 HB3 ARG 54 2HB ARG 54 17.838 18.903 -3.204 85 HG2 ARG 54 1HG ARG 54 17.442 16.930 -1.713 86 HG3 ARG 54 2HG ARG 54 18.251 15.891 -2.882 87 HD2 ARG 54 1HD ARG 54 19.993 16.164 -1.567 88 HD3 ARG 54 2HD ARG 54 20.265 17.586 -2.584 89 HE ARG 54 HE ARG 54 18.669 18.512 -0.522 90 HH11 ARG 54 1HH1 ARG 54 21.793 16.759 -0.589 91 HH12 ARG 54 2HH1 ARG 54 22.292 17.399 0.942 92 HH21 ARG 54 1HH2 ARG 54 19.363 19.347 1.412 93 HH22 ARG 54 2HH2 ARG 54 20.953 19.069 2.023 94 H ARG 55 H ARG 55 17.461 16.046 -6.219 95 HA ARG 55 HA ARG 55 15.769 13.765 -5.532 96 HB2 ARG 55 1HB ARG 55 16.507 14.152 -7.848 97 HB3 ARG 55 2HB ARG 55 18.209 13.967 -7.369 98 HG2 ARG 55 1HG ARG 55 17.758 11.588 -6.744 99 HG3 ARG 55 2HG ARG 55 16.042 11.818 -7.164 100 HD2 ARG 55 1HD ARG 55 16.791 12.482 -9.461 101 HD3 ARG 55 2HD ARG 55 18.445 11.991 -9.031 102 HE ARG 55 HE ARG 55 16.914 9.784 -8.416 103 HH11 ARG 55 1HH1 ARG 55 17.383 11.752 -11.326 104 HH12 ARG 55 2HH1 ARG 55 16.595 10.644 -12.391 105 HH21 ARG 55 1HH2 ARG 55 15.844 8.303 -9.830 106 HH22 ARG 55 2HH2 ARG 55 15.714 8.624 -11.516 107 H THR 56 H THR 56 16.362 11.943 -4.354 108 HA THR 56 HA THR 56 19.127 11.768 -3.407 109 HB THR 56 HB THR 56 17.621 13.219 -1.839 110 HG1 THR 56 1HG THR 56 19.711 12.567 -1.434 111 HG21 THR 56 3HG2 THR 56 15.767 11.554 -1.619 112 HG22 THR 56 1HG2 THR 56 16.473 12.015 -0.067 113 HG23 THR 56 2HG2 THR 56 16.888 10.451 -0.784 114 H GLY 57 H GLY 57 16.094 10.248 -4.236 115 HA2 GLY 57 1HA GLY 57 16.730 7.671 -3.181 116 HA3 GLY 57 2HA GLY 57 15.568 8.048 -4.462 117 H ARG 58 H ARG 58 17.138 5.861 -4.451 118 HA ARG 58 HA ARG 58 19.529 6.118 -6.082 119 HB2 ARG 58 1HB ARG 58 17.869 3.791 -5.016 120 HB3 ARG 58 2HB ARG 58 19.320 3.520 -5.988 121 HG2 ARG 58 1HG ARG 58 20.770 4.415 -4.388 122 HG3 ARG 58 2HG ARG 58 19.517 5.378 -3.605 123 HD2 ARG 58 1HD ARG 58 18.462 3.312 -2.736 124 HD3 ARG 58 2HD ARG 58 19.828 2.377 -3.407 125 HE ARG 58 HE ARG 58 20.631 4.634 -1.768 126 HH11 ARG 58 1HH1 ARG 58 19.565 1.246 -1.545 127 HH12 ARG 58 2HH1 ARG 58 20.419 0.884 -0.100 128 HH21 ARG 58 1HH2 ARG 58 21.581 4.259 0.312 129 HH22 ARG 58 2HH2 ARG 58 21.439 2.693 1.044 130 H VAL 59 H VAL 59 19.621 4.449 -8.028 131 HA VAL 59 HA VAL 59 18.105 5.601 -10.112 132 HB VAL 59 HB VAL 59 20.337 4.520 -10.260 133 HG11 VAL 59 1HG1 VAL 59 20.611 2.119 -10.426 134 HG12 VAL 59 2HG1 VAL 59 19.836 2.467 -8.882 135 HG13 VAL 59 3HG1 VAL 59 18.877 1.848 -10.236 136 HG21 VAL 59 3HG2 VAL 59 18.372 3.314 -12.238 137 HG22 VAL 59 1HG2 VAL 59 18.981 4.982 -12.291 138 HG23 VAL 59 2HG2 VAL 59 20.096 3.625 -12.486 139 H ASN 60 H ASN 60 17.250 3.056 -7.905 140 HA ASN 60 HA ASN 60 15.313 1.699 -9.543 141 HB2 ASN 60 1HB ASN 60 15.615 1.843 -6.509 142 HB3 ASN 60 2HB ASN 60 14.639 0.670 -7.382 143 HD21 ASN 60 2HD2 ASN 60 16.011 -0.540 -9.221 144 HD22 ASN 60 1HD2 ASN 60 17.637 -0.997 -8.806 145 H GLY 61 H GLY 61 13.041 1.904 -9.514 146 HA2 GLY 61 1HA GLY 61 11.932 4.447 -9.485 147 HA3 GLY 61 2HA GLY 61 11.022 2.930 -9.411 148 H GLY 62 H GLY 62 11.240 1.842 -6.949 149 HA2 GLY 62 1HA GLY 62 10.809 3.943 -4.967 150 HA3 GLY 62 2HA GLY 62 9.729 2.550 -5.209 151 H HIS 63 H HIS 63 10.377 2.255 -3.072 152 HA HIS 63 HA HIS 63 13.034 1.121 -2.386 153 HB2 HIS 63 1HB HIS 63 10.574 1.931 -0.769 154 HB3 HIS 63 2HB HIS 63 12.045 1.238 -0.057 155 HD1 HIS 63 HD1 HIS 63 14.007 3.180 -2.090 156 HD2 HIS 63 HD2 HIS 63 10.800 4.266 0.418 157 HE1 HIS 63 HE1 HIS 63 14.329 5.615 -1.544 158 HA PRO 64 HA PRO 64 11.326 -2.904 -3.162 159 HB2 PRO 64 2HB PRO 64 13.030 -4.585 -1.856 160 HB3 PRO 64 3HB PRO 64 13.486 -3.665 -3.322 161 HG2 PRO 64 2HG PRO 64 13.945 -2.868 -0.429 162 HG3 PRO 64 3HG PRO 64 15.157 -2.949 -1.727 163 HD2 PRO 64 2HD PRO 64 13.942 -0.617 -1.121 164 HD3 PRO 64 3HD PRO 64 14.194 -1.052 -2.838 165 H VAL 65 H VAL 65 9.594 -3.815 -2.425 166 HA VAL 65 HA VAL 65 9.084 -4.028 0.512 167 HB VAL 65 HB VAL 65 6.743 -4.064 -0.023 168 HG11 VAL 65 1HG1 VAL 65 8.288 -1.862 -1.444 169 HG12 VAL 65 2HG1 VAL 65 6.573 -1.844 -1.231 170 HG13 VAL 65 3HG1 VAL 65 7.616 -1.884 0.212 171 HG21 VAL 65 3HG2 VAL 65 6.678 -5.292 -2.147 172 HG22 VAL 65 1HG2 VAL 65 5.837 -3.741 -2.264 173 HG23 VAL 65 2HG2 VAL 65 7.453 -3.924 -2.979 174 H THR 66 H THR 66 7.755 -5.890 1.167 175 HA THR 66 HA THR 66 8.410 -8.418 -0.239 176 HB THR 66 HB THR 66 8.344 -9.306 2.207 177 HG1 THR 66 1HG THR 66 9.247 -6.706 2.795 178 HG21 THR 66 3HG2 THR 66 10.743 -8.869 2.552 179 HG22 THR 66 1HG2 THR 66 10.709 -7.626 1.284 180 HG23 THR 66 2HG2 THR 66 10.378 -9.315 0.875 181 H THR 67 H THR 67 6.745 -10.043 0.114 182 HA THR 67 HA THR 67 4.153 -9.080 -0.264 183 HB THR 67 HB THR 67 4.993 -11.824 0.769 184 HG1 THR 67 1HG THR 67 6.124 -11.533 -1.040 185 HG21 THR 67 3HG2 THR 67 2.532 -10.813 -0.757 186 HG22 THR 67 1HG2 THR 67 2.573 -11.588 0.837 187 HG23 THR 67 2HG2 THR 67 2.967 -12.530 -0.612 188 H GLN 68 H GLN 68 5.755 -9.955 2.822 189 HA GLN 68 HA GLN 68 3.474 -9.957 4.462 190 HB2 GLN 68 1HB GLN 68 5.002 -9.586 6.318 191 HB3 GLN 68 2HB GLN 68 5.641 -10.753 5.179 192 HG2 GLN 68 1HG GLN 68 6.693 -8.275 4.294 193 HG3 GLN 68 2HG GLN 68 6.706 -8.121 6.032 194 HE21 GLN 68 2HE2 GLN 68 7.313 -11.166 4.099 195 HE22 GLN 68 1HE2 GLN 68 8.989 -11.243 4.584 196 H MET 69 H MET 69 5.350 -7.096 3.244 197 HA MET 69 HA MET 69 4.014 -5.258 4.994 198 HB2 MET 69 1HB MET 69 5.413 -4.916 2.308 199 HB3 MET 69 2HB MET 69 4.780 -3.572 3.260 200 HG2 MET 69 1HG MET 69 6.261 -4.103 5.120 201 HG3 MET 69 2HG MET 69 6.819 -5.556 4.298 202 HE1 MET 69 3HE MET 69 7.029 -1.639 4.494 203 HE2 MET 69 1HE MET 69 8.047 -1.231 3.097 204 HE3 MET 69 2HE MET 69 6.380 -1.752 2.834 205 H VAL 70 H VAL 70 3.189 -6.748 1.877 206 HA VAL 70 HA VAL 70 1.045 -5.001 1.240 207 HB VAL 70 HB VAL 70 1.366 -7.864 0.292 208 HG11 VAL 70 1HG1 VAL 70 0.061 -5.579 -1.160 209 HG12 VAL 70 2HG1 VAL 70 0.067 -7.308 -1.548 210 HG13 VAL 70 3HG1 VAL 70 -0.822 -6.750 -0.143 211 HG21 VAL 70 3HG2 VAL 70 2.577 -5.384 -0.943 212 HG22 VAL 70 1HG2 VAL 70 3.468 -6.700 -0.148 213 HG23 VAL 70 2HG2 VAL 70 2.576 -7.019 -1.634 214 H GLU 71 H GLU 71 1.078 -8.280 2.722 215 HA GLU 71 HA GLU 71 -1.721 -8.302 3.200 216 HB2 GLU 71 1HB GLU 71 -1.028 -9.978 5.143 217 HB3 GLU 71 2HB GLU 71 -1.036 -10.424 3.433 218 HG2 GLU 71 1HG GLU 71 1.301 -10.072 3.267 219 HG3 GLU 71 2HG GLU 71 1.402 -9.492 4.917 220 H THR 72 H THR 72 0.987 -7.021 5.289 221 HA THR 72 HA THR 72 -0.657 -6.470 7.516 222 HB THR 72 HB THR 72 1.664 -4.832 6.471 223 HG1 THR 72 1HG THR 72 2.921 -6.159 7.584 224 HG21 THR 72 3HG2 THR 72 0.555 -5.131 9.305 225 HG22 THR 72 1HG2 THR 72 0.333 -3.696 8.304 226 HG23 THR 72 2HG2 THR 72 1.960 -4.123 8.830 227 H VAL 73 H VAL 73 0.143 -4.192 4.776 228 HA VAL 73 HA VAL 73 -1.712 -2.218 5.587 229 HB VAL 73 HB VAL 73 -0.775 -3.055 2.823 230 HG11 VAL 73 1HG1 VAL 73 -2.538 -0.735 3.652 231 HG12 VAL 73 2HG1 VAL 73 -1.656 -0.742 2.106 232 HG13 VAL 73 3HG1 VAL 73 -2.913 -1.945 2.436 233 HG21 VAL 73 3HG2 VAL 73 0.914 -2.072 4.273 234 HG22 VAL 73 1HG2 VAL 73 0.500 -0.989 2.925 235 HG23 VAL 73 2HG2 VAL 73 -0.136 -0.646 4.544 236 H GLN 74 H GLN 74 -2.236 -4.977 3.351 237 HA GLN 74 HA GLN 74 -4.907 -4.430 2.736 238 HB2 GLN 74 1HB GLN 74 -3.460 -6.155 1.697 239 HB3 GLN 74 2HB GLN 74 -3.675 -7.177 3.115 240 HG2 GLN 74 1HG GLN 74 -5.164 -8.055 1.556 241 HG3 GLN 74 2HG GLN 74 -6.185 -7.159 2.659 242 HE21 GLN 74 2HE2 GLN 74 -6.687 -4.690 1.804 243 HE22 GLN 74 1HE2 GLN 74 -6.910 -4.602 0.072 244 H ASN 75 H ASN 75 -3.714 -6.249 5.557 245 HA ASN 75 HA ASN 75 -6.250 -7.041 6.617 246 HB2 ASN 75 1HB ASN 75 -3.536 -6.478 7.914 247 HB3 ASN 75 2HB ASN 75 -4.936 -6.937 8.842 248 HD21 ASN 75 2HD2 ASN 75 -2.380 -8.132 6.938 249 HD22 ASN 75 1HD2 ASN 75 -2.730 -9.807 7.092 250 H LEU 76 H LEU 76 -4.232 -4.128 7.090 251 HA LEU 76 HA LEU 76 -6.179 -2.995 8.993 252 HB2 LEU 76 1HB LEU 76 -3.676 -1.707 7.866 253 HB3 LEU 76 2HB LEU 76 -4.599 -1.229 9.281 254 HG LEU 76 HG LEU 76 -2.844 -3.691 8.981 255 HD11 LEU 76 1HD1 LEU 76 -1.686 -2.737 10.936 256 HD12 LEU 76 2HD1 LEU 76 -2.723 -1.286 10.815 257 HD13 LEU 76 3HD1 LEU 76 -1.618 -1.724 9.498 258 HD21 LEU 76 3HD2 LEU 76 -3.426 -4.266 11.334 259 HD22 LEU 76 1HD2 LEU 76 -4.670 -4.600 10.155 260 HD23 LEU 76 2HD2 LEU 76 -4.837 -3.168 11.192 261 H ALA 77 H ALA 77 -5.820 -3.009 5.625 262 HA ALA 77 HA ALA 77 -7.711 -0.767 5.296 263 HB1 ALA 77 3HB ALA 77 -5.440 0.073 4.794 264 HB2 ALA 77 1HB ALA 77 -5.233 -1.219 3.592 265 HB3 ALA 77 2HB ALA 77 -6.476 0.019 3.355 266 HA PRO 78 HA PRO 78 -8.993 -4.785 3.304 267 HB2 PRO 78 2HB PRO 78 -11.514 -4.959 4.328 268 HB3 PRO 78 3HB PRO 78 -10.056 -5.465 5.236 269 HG2 PRO 78 2HG PRO 78 -11.473 -2.779 5.370 270 HG3 PRO 78 3HG PRO 78 -11.044 -3.865 6.741 271 HD2 PRO 78 2HD PRO 78 -9.453 -1.808 6.061 272 HD3 PRO 78 3HD PRO 78 -8.740 -3.389 6.508 273 H ASN 79 H ASN 79 -9.583 -1.560 2.900 274 HA ASN 79 HA ASN 79 -11.662 -1.911 0.801 275 HB2 ASN 79 1HB ASN 79 -11.832 -0.257 2.913 276 HB3 ASN 79 2HB ASN 79 -10.943 0.808 1.825 277 HD21 ASN 79 2HD2 ASN 79 -11.944 0.564 -0.607 278 HD22 ASN 79 1HD2 ASN 79 -13.707 0.761 -0.620 279 H LEU 80 H LEU 80 -8.527 -2.239 0.811 280 HA LEU 80 HA LEU 80 -8.003 -0.527 -1.595 281 HB2 LEU 80 1HB LEU 80 -6.111 -1.566 0.556 282 HB3 LEU 80 2HB LEU 80 -5.565 -0.928 -0.980 283 HG LEU 80 HG LEU 80 -7.070 0.611 1.174 284 HD11 LEU 80 1HD1 LEU 80 -4.661 0.147 1.630 285 HD12 LEU 80 2HD1 LEU 80 -4.953 1.869 1.374 286 HD13 LEU 80 3HD1 LEU 80 -4.241 0.880 0.075 287 HD21 LEU 80 3HD2 LEU 80 -7.815 1.576 -0.884 288 HD22 LEU 80 1HD2 LEU 80 -6.184 1.524 -1.604 289 HD23 LEU 80 2HD2 LEU 80 -6.559 2.639 -0.268 290 H HIS 81 H HIS 81 -6.686 -1.553 -3.284 291 HA HIS 81 HA HIS 81 -7.433 -4.333 -3.687 292 HB2 HIS 81 1HB HIS 81 -7.538 -2.461 -5.409 293 HB3 HIS 81 2HB HIS 81 -5.779 -2.445 -5.378 294 HD2 HIS 81 HD2 HIS 81 -8.764 -4.461 -6.644 295 HE1 HIS 81 HE1 HIS 81 -5.274 -6.249 -8.307 296 HE2 HIS 81 HE2 HIS 81 -7.787 -6.231 -8.373 297 HA PRO 82 HA PRO 82 -3.489 -5.831 -2.173 298 HB2 PRO 82 2HB PRO 82 -3.065 -8.079 -3.705 299 HB3 PRO 82 3HB PRO 82 -4.172 -7.959 -2.314 300 HG2 PRO 82 2HG PRO 82 -4.829 -7.708 -5.253 301 HG3 PRO 82 3HG PRO 82 -5.716 -8.637 -4.005 302 HD2 PRO 82 2HD PRO 82 -6.476 -6.174 -4.865 303 HD3 PRO 82 3HD PRO 82 -6.706 -6.640 -3.155 304 H GLU 83 H GLU 83 -3.840 -5.262 -5.675 305 HA GLU 83 HA GLU 83 -0.998 -5.343 -6.101 306 HB2 GLU 83 1HB GLU 83 -3.315 -5.535 -7.655 307 HB3 GLU 83 2HB GLU 83 -2.693 -3.956 -8.130 308 HG2 GLU 83 1HG GLU 83 -1.907 -5.594 -9.654 309 HG3 GLU 83 2HG GLU 83 -0.508 -5.168 -8.664 310 H GLN 84 H GLN 84 -3.442 -2.738 -5.711 311 HA GLN 84 HA GLN 84 -1.725 -0.540 -6.247 312 HB2 GLN 84 1HB GLN 84 -3.974 -0.749 -4.198 313 HB3 GLN 84 2HB GLN 84 -3.232 0.747 -4.722 314 HG2 GLN 84 1HG GLN 84 -4.019 0.538 -6.962 315 HG3 GLN 84 2HG GLN 84 -4.708 -1.045 -6.601 316 HE21 GLN 84 2HE2 GLN 84 -4.944 2.465 -5.698 317 HE22 GLN 84 1HE2 GLN 84 -6.638 2.360 -5.320 318 H ILE 85 H ILE 85 -2.306 -2.368 -3.236 319 HA ILE 85 HA ILE 85 -0.924 -0.829 -1.409 320 HB ILE 85 HB ILE 85 -1.366 -3.808 -1.611 321 HG12 ILE 85 1HG1 ILE 85 -2.624 -1.728 0.239 322 HG13 ILE 85 2HG1 ILE 85 -3.314 -2.129 -1.299 323 HG21 ILE 85 1HG2 ILE 85 -0.196 -2.195 0.701 324 HG22 ILE 85 2HG2 ILE 85 -0.759 -3.883 0.801 325 HG23 ILE 85 3HG2 ILE 85 0.604 -3.481 -0.219 326 HD11 ILE 85 3HD1 ILE 85 -3.376 -4.544 -0.649 327 HD12 ILE 85 1HD1 ILE 85 -2.912 -4.070 0.990 328 HD13 ILE 85 2HD1 ILE 85 -4.443 -3.487 0.298 329 H ARG 86 H ARG 86 0.484 -3.646 -3.232 330 HA ARG 86 HA ARG 86 3.097 -3.409 -2.440 331 HB2 ARG 86 1HB ARG 86 2.497 -5.226 -3.788 332 HB3 ARG 86 2HB ARG 86 1.859 -4.225 -5.085 333 HG2 ARG 86 1HG ARG 86 4.768 -3.916 -4.424 334 HG3 ARG 86 2HG ARG 86 4.269 -5.428 -5.195 335 HD2 ARG 86 1HD ARG 86 3.864 -4.498 -7.206 336 HD3 ARG 86 2HD ARG 86 3.179 -3.031 -6.534 337 HE ARG 86 HE ARG 86 5.264 -2.044 -6.351 338 HH11 ARG 86 1HH1 ARG 86 5.727 -5.446 -7.398 339 HH12 ARG 86 2HH1 ARG 86 7.300 -5.151 -8.051 340 HH21 ARG 86 1HH2 ARG 86 7.408 -1.703 -7.330 341 HH22 ARG 86 2HH2 ARG 86 8.298 -3.058 -7.863 342 H TYR 87 H TYR 87 1.635 -1.537 -5.142 343 HA TYR 87 HA TYR 87 3.999 -0.121 -5.797 344 HB2 TYR 87 2HB TYR 87 1.846 -0.312 -7.112 345 HB3 TYR 87 3HB TYR 87 1.125 0.850 -6.038 346 HD1 TYR 87 2HD TYR 87 4.422 0.596 -7.936 347 HD2 TYR 87 1HD TYR 87 0.995 3.015 -6.857 348 HE1 TYR 87 2HE TYR 87 5.227 2.395 -9.412 349 HE2 TYR 87 1HE TYR 87 1.829 4.830 -8.338 350 HH TYR 87 HH TYR 87 4.075 4.324 -10.751 351 H SER 88 H SER 88 1.343 0.739 -3.545 352 HA SER 88 HA SER 88 2.453 3.327 -2.957 353 HB2 SER 88 1HB SER 88 0.990 3.252 -0.924 354 HB3 SER 88 2HB SER 88 0.266 3.083 -2.533 355 HG SER 88 HG SER 88 0.828 0.658 -1.392 356 H LEU 89 H LEU 89 2.883 0.144 -1.386 357 HA LEU 89 HA LEU 89 4.558 0.992 0.764 358 HB2 LEU 89 1HB LEU 89 4.505 -1.575 -0.843 359 HB3 LEU 89 2HB LEU 89 5.384 -1.330 0.687 360 HG LEU 89 HG LEU 89 2.365 -1.014 0.458 361 HD11 LEU 89 1HD1 LEU 89 2.327 -3.292 1.442 362 HD12 LEU 89 2HD1 LEU 89 4.066 -3.457 1.075 363 HD13 LEU 89 3HD1 LEU 89 2.901 -3.249 -0.236 364 HD21 LEU 89 3HD2 LEU 89 4.315 -1.311 2.760 365 HD22 LEU 89 1HD2 LEU 89 2.563 -1.465 2.882 366 HD23 LEU 89 2HD2 LEU 89 3.278 0.065 2.356 367 H GLU 90 H GLU 90 5.280 0.338 -2.674 368 HA GLU 90 HA GLU 90 8.143 0.439 -2.312 369 HB2 GLU 90 1HB GLU 90 6.300 0.743 -4.692 370 HB3 GLU 90 2HB GLU 90 8.011 0.991 -4.854 371 HG2 GLU 90 1HG GLU 90 7.107 -1.571 -3.530 372 HG3 GLU 90 2HG GLU 90 6.732 -1.347 -5.221 373 H ASN 91 H ASN 91 5.603 2.825 -2.954 374 HA ASN 91 HA ASN 91 7.492 5.010 -3.410 375 HB2 ASN 91 1HB ASN 91 4.467 4.878 -3.103 376 HB3 ASN 91 2HB ASN 91 5.336 6.399 -3.172 377 HD21 ASN 91 2HD2 ASN 91 4.537 3.484 -5.082 378 HD22 ASN 91 1HD2 ASN 91 4.940 4.198 -6.622 379 H THR 92 H THR 92 5.405 4.051 -0.594 380 HA THR 92 HA THR 92 6.171 6.320 1.001 381 HB THR 92 HB THR 92 4.858 5.177 2.708 382 HG1 THR 92 1HG THR 92 4.454 3.102 2.638 383 HG21 THR 92 3HG2 THR 92 3.548 6.415 1.178 384 HG22 THR 92 1HG2 THR 92 2.689 4.918 1.569 385 HG23 THR 92 2HG2 THR 92 3.506 5.092 -0.001 386 H GLY 93 H GLY 93 7.191 2.934 0.681 387 HA2 GLY 93 1HA GLY 93 9.300 2.076 1.210 388 HA3 GLY 93 2HA GLY 93 9.646 3.475 2.210 389 H SER 94 H SER 94 6.803 2.986 3.505 390 HA SER 94 HA SER 94 7.362 0.588 5.099 391 HB2 SER 94 1HB SER 94 8.520 2.525 6.203 392 HB3 SER 94 2HB SER 94 6.950 3.344 6.313 393 HG SER 94 HG SER 94 7.408 2.262 8.245 394 H VAL 95 H VAL 95 5.540 -0.185 6.105 395 HA VAL 95 HA VAL 95 2.999 0.127 4.815 396 HB VAL 95 HB VAL 95 3.909 -1.231 7.392 397 HG11 VAL 95 1HG1 VAL 95 1.156 -0.957 6.317 398 HG12 VAL 95 2HG1 VAL 95 1.645 -2.578 6.802 399 HG13 VAL 95 3HG1 VAL 95 1.726 -1.241 7.961 400 HG21 VAL 95 3HG2 VAL 95 3.827 -3.280 6.175 401 HG22 VAL 95 1HG2 VAL 95 3.234 -2.458 4.730 402 HG23 VAL 95 2HG2 VAL 95 4.880 -2.142 5.333 403 H GLU 96 H GLU 96 4.341 1.227 7.936 404 HA GLU 96 HA GLU 96 2.192 2.224 9.209 405 HB2 GLU 96 1HB GLU 96 3.719 3.563 10.455 406 HB3 GLU 96 2HB GLU 96 4.605 2.110 9.957 407 HG2 GLU 96 1HG GLU 96 5.481 3.493 7.975 408 HG3 GLU 96 2HG GLU 96 4.778 4.891 8.758 409 H GLU 97 H GLU 97 4.082 3.938 6.748 410 HA GLU 97 HA GLU 97 2.591 6.362 6.773 411 HB2 GLU 97 1HB GLU 97 4.905 6.243 6.034 412 HB3 GLU 97 2HB GLU 97 4.493 5.086 4.779 413 HG2 GLU 97 1HG GLU 97 4.850 7.279 3.811 414 HG3 GLU 97 2HG GLU 97 3.185 6.773 3.578 415 H THR 98 H THR 98 2.458 3.411 4.695 416 HA THR 98 HA THR 98 0.499 4.295 2.913 417 HB THR 98 HB THR 98 0.907 1.469 3.923 418 HG1 THR 98 1HG THR 98 2.324 2.887 1.895 419 HG21 THR 98 3HG2 THR 98 -0.983 1.649 2.448 420 HG22 THR 98 1HG2 THR 98 0.348 0.898 1.556 421 HG23 THR 98 2HG2 THR 98 -0.058 2.607 1.268 422 H VAL 99 H VAL 99 0.155 2.871 6.125 423 HA VAL 99 HA VAL 99 -2.754 2.747 5.998 424 HB VAL 99 HB VAL 99 -0.848 2.504 8.337 425 HG11 VAL 99 1HG1 VAL 99 -3.117 3.086 9.155 426 HG12 VAL 99 2HG1 VAL 99 -3.812 1.789 8.160 427 HG13 VAL 99 3HG1 VAL 99 -2.735 1.404 9.526 428 HG21 VAL 99 3HG2 VAL 99 -0.596 0.711 6.613 429 HG22 VAL 99 1HG2 VAL 99 -1.258 0.084 8.117 430 HG23 VAL 99 2HG2 VAL 99 -2.327 0.369 6.721 431 H GLU 100 H GLU 100 -0.401 5.143 7.258 432 HA GLU 100 HA GLU 100 -2.321 6.822 8.564 433 HB2 GLU 100 1HB GLU 100 0.478 7.269 7.454 434 HB3 GLU 100 2HB GLU 100 -0.454 8.601 8.120 435 HG2 GLU 100 1HG GLU 100 0.165 6.078 9.696 436 HG3 GLU 100 2HG GLU 100 1.181 7.517 9.699 437 H ARG 101 H ARG 101 -0.946 6.825 5.272 438 HA ARG 101 HA ARG 101 -2.420 9.203 4.504 439 HB2 ARG 101 1HB ARG 101 -1.569 8.769 2.278 440 HB3 ARG 101 2HB ARG 101 -0.283 8.603 3.487 441 HG2 ARG 101 1HG ARG 101 -0.838 6.074 3.428 442 HG3 ARG 101 2HG ARG 101 -1.771 6.433 2.019 443 HD2 ARG 101 1HD ARG 101 1.201 6.795 2.399 444 HD3 ARG 101 2HD ARG 101 0.430 5.612 1.323 445 HE ARG 101 HE ARG 101 0.684 8.462 1.053 446 HH11 ARG 101 1HH1 ARG 101 -1.099 5.618 -0.181 447 HH12 ARG 101 2HH1 ARG 101 -1.624 6.446 -1.614 448 HH21 ARG 101 1HH2 ARG 101 0.139 9.401 -1.114 449 HH22 ARG 101 2HH2 ARG 101 -0.976 8.525 -2.114 450 H TYR 102 H TYR 102 -2.973 5.748 4.275 451 HA TYR 102 HA TYR 102 -5.282 5.714 2.591 452 HB2 TYR 102 2HB TYR 102 -4.428 3.657 3.016 453 HB3 TYR 102 3HB TYR 102 -4.190 3.945 4.735 454 HD1 TYR 102 1HD TYR 102 -6.877 3.372 2.170 455 HD2 TYR 102 2HD TYR 102 -5.691 3.195 6.318 456 HE1 TYR 102 1HE TYR 102 -8.871 1.993 2.685 457 HE2 TYR 102 2HE TYR 102 -7.658 1.889 6.861 458 HH TYR 102 HH TYR 102 -9.882 1.245 5.932 459 H LEU 103 H LEU 103 -5.235 5.727 6.200 460 HA LEU 103 HA LEU 103 -8.035 6.178 6.450 461 HB2 LEU 103 1HB LEU 103 -7.608 6.848 8.748 462 HB3 LEU 103 2HB LEU 103 -6.772 5.379 8.287 463 HG LEU 103 HG LEU 103 -4.691 6.871 7.911 464 HD11 LEU 103 1HD1 LEU 103 -5.536 9.172 8.122 465 HD12 LEU 103 2HD1 LEU 103 -4.588 8.830 9.544 466 HD13 LEU 103 3HD1 LEU 103 -6.355 8.767 9.645 467 HD21 LEU 103 3HD2 LEU 103 -5.810 6.353 10.686 468 HD22 LEU 103 1HD2 LEU 103 -4.098 6.658 10.309 469 HD23 LEU 103 2HD2 LEU 103 -4.892 5.214 9.668 470 H ARG 104 H ARG 104 -5.477 8.443 5.639 471 HA ARG 104 HA ARG 104 -7.102 10.796 6.206 472 HB2 ARG 104 1HB ARG 104 -5.199 11.931 6.017 473 HB3 ARG 104 2HB ARG 104 -4.437 10.376 6.015 474 HG2 ARG 104 1HG ARG 104 -3.388 11.098 4.152 475 HG3 ARG 104 2HG ARG 104 -4.872 10.645 3.328 476 HD2 ARG 104 1HD ARG 104 -4.840 12.743 2.567 477 HD3 ARG 104 2HD ARG 104 -5.580 13.081 4.145 478 HE ARG 104 HE ARG 104 -2.636 13.101 3.852 479 HH11 ARG 104 1HH1 ARG 104 -5.551 15.072 4.451 480 HH12 ARG 104 2HH1 ARG 104 -4.609 16.479 4.881 481 HH21 ARG 104 1HH2 ARG 104 -1.509 14.799 4.635 482 HH22 ARG 104 2HH2 ARG 104 -2.224 16.351 4.941 483 H GLY 105 H GLY 105 -7.102 8.473 3.749 484 HA2 GLY 105 1HA GLY 105 -8.417 8.255 1.912 485 HA3 GLY 105 2HA GLY 105 -9.104 9.849 2.203 486 H ASP 106 H ASP 106 -5.627 8.980 1.776 487 HA ASP 106 HA ASP 106 -5.311 11.112 -0.164 488 HB2 ASP 106 1HB ASP 106 -3.586 10.111 1.620 489 HB3 ASP 106 2HB ASP 106 -3.129 9.080 0.264 490 H GLU 107 H GLU 107 -3.505 10.138 -2.074 491 HA GLU 107 HA GLU 107 -5.349 8.717 -3.864 492 HB2 GLU 107 1HB GLU 107 -4.113 9.541 -5.565 493 HB3 GLU 107 2HB GLU 107 -3.815 10.778 -4.389 494 HG2 GLU 107 1HG GLU 107 -1.738 10.407 -5.403 495 HG3 GLU 107 2HG GLU 107 -1.603 9.592 -3.847 496 H PHE 108 H PHE 108 -5.083 6.638 -4.629 497 HA PHE 108 HA PHE 108 -2.714 5.095 -3.678 498 HB2 PHE 108 2HB PHE 108 -5.669 4.419 -3.371 499 HB3 PHE 108 3HB PHE 108 -4.431 3.173 -3.507 500 HD1 PHE 108 2HD PHE 108 -5.149 6.296 -1.493 501 HD2 PHE 108 1HD PHE 108 -3.380 2.375 -1.598 502 HE1 PHE 108 2HE PHE 108 -4.285 6.626 0.786 503 HE2 PHE 108 1HE PHE 108 -2.528 2.682 0.691 504 HZ PHE 108 HZ PHE 108 -2.962 4.781 1.886 505 H SER 109 H SER 109 -1.693 4.858 -5.492 506 HA SER 109 HA SER 109 -3.111 4.482 -8.066 507 HB2 SER 109 1HB SER 109 -0.260 5.139 -7.237 508 HB3 SER 109 2HB SER 109 -0.666 4.676 -8.898 509 HG SER 109 HG SER 109 -1.712 6.887 -7.415 510 H PHE 110 H PHE 110 -2.218 2.925 -9.621 511 HA PHE 110 HA PHE 110 -1.842 0.271 -8.366 512 HB2 PHE 110 2HB PHE 110 -2.835 1.263 -11.056 513 HB3 PHE 110 3HB PHE 110 -2.289 -0.379 -10.861 514 HD1 PHE 110 2HD PHE 110 -3.432 -1.988 -9.358 515 HD2 PHE 110 1HD PHE 110 -5.041 1.941 -10.141 516 HE1 PHE 110 2HE PHE 110 -5.652 -2.735 -8.584 517 HE2 PHE 110 1HE PHE 110 -7.266 1.150 -9.455 518 HZ PHE 110 HZ PHE 110 -7.591 -1.182 -8.650 519 HA PRO 111 HA PRO 111 2.346 0.169 -9.712 520 HB2 PRO 111 2HB PRO 111 2.715 -2.503 -10.433 521 HB3 PRO 111 3HB PRO 111 2.636 -1.895 -8.751 522 HG2 PRO 111 2HG PRO 111 0.478 -3.202 -10.401 523 HG3 PRO 111 3HG PRO 111 0.866 -3.418 -8.661 524 HD2 PRO 111 2HD PRO 111 -1.178 -1.844 -9.608 525 HD3 PRO 111 3HD PRO 111 -0.323 -1.491 -8.083 526 HA PRO 112 HA PRO 112 2.645 0.682 -14.045 527 HB2 PRO 112 2HB PRO 112 5.146 -0.233 -14.742 528 HB3 PRO 112 3HB PRO 112 4.837 1.276 -13.827 529 HG2 PRO 112 2HG PRO 112 5.593 -1.442 -12.720 530 HG3 PRO 112 3HG PRO 112 6.302 0.157 -12.319 531 HD2 PRO 112 2HD PRO 112 4.405 -0.974 -10.758 532 HD3 PRO 112 3HD PRO 112 4.404 0.789 -11.065 533 H GLY 113 H GLY 113 2.076 -0.383 -15.908 534 HA2 GLY 113 1HA GLY 113 1.864 -2.164 -17.429 535 HA3 GLY 113 2HA GLY 113 2.524 -3.294 -16.238 536 H PHE 114 H PHE 114 0.307 -1.759 -14.384 537 HA PHE 114 HA PHE 114 -1.648 -3.906 -14.640 538 HB2 PHE 114 2HB PHE 114 -0.911 -2.902 -12.484 539 HB3 PHE 114 3HB PHE 114 -1.585 -1.355 -12.979 540 HD1 PHE 114 1HD PHE 114 -4.015 -1.018 -13.182 541 HD2 PHE 114 2HD PHE 114 -2.351 -4.697 -11.672 542 HE1 PHE 114 1HE PHE 114 -6.234 -1.641 -12.242 543 HE2 PHE 114 2HE PHE 114 -4.555 -5.285 -10.681 544 HZ PHE 114 HZ PHE 114 -6.517 -3.781 -11.022 545 H GLU 115 H GLU 115 -1.199 -0.737 -15.895 546 HA GLU 115 HA GLU 115 -3.789 0.227 -16.311 547 HB2 GLU 115 1HB GLU 115 -2.710 1.598 -18.117 548 HB3 GLU 115 2HB GLU 115 -1.946 1.713 -16.531 549 HG2 GLU 115 1HG GLU 115 -0.081 0.433 -17.171 550 HG3 GLU 115 2HG GLU 115 -0.892 -0.268 -18.569 Start of MODEL 20 1 H1 GLY 41 H GLY 41 -4.645 -23.341 -8.130 2 HA2 GLY 41 1HA GLY 41 -4.553 -21.719 -10.045 3 HA3 GLY 41 2HA GLY 41 -5.206 -20.537 -8.887 4 H ALA 42 H ALA 42 -3.267 -19.226 -9.142 5 HA ALA 42 HA ALA 42 -0.761 -20.435 -8.053 6 HB1 ALA 42 3HB ALA 42 -1.123 -17.813 -9.548 7 HB2 ALA 42 1HB ALA 42 0.398 -18.583 -9.065 8 HB3 ALA 42 2HB ALA 42 -0.613 -19.354 -10.290 9 H MET 43 H MET 43 -3.276 -18.140 -7.372 10 HA MET 43 HA MET 43 -3.652 -16.634 -5.740 11 HB2 MET 43 1HB MET 43 -2.302 -18.824 -4.135 12 HB3 MET 43 2HB MET 43 -3.261 -17.503 -3.464 13 HG2 MET 43 1HG MET 43 -5.234 -18.246 -4.699 14 HG3 MET 43 2HG MET 43 -4.300 -19.512 -5.499 15 HE1 MET 43 3HE MET 43 -3.848 -18.716 -1.554 16 HE2 MET 43 1HE MET 43 -5.423 -18.096 -2.105 17 HE3 MET 43 2HE MET 43 -5.354 -19.481 -1.005 18 H GLY 44 H GLY 44 -2.040 -15.231 -6.938 19 HA2 GLY 44 1HA GLY 44 -0.823 -13.315 -6.438 20 HA3 GLY 44 2HA GLY 44 -0.280 -14.036 -4.916 21 HA PRO 45 HA PRO 45 3.162 -14.295 -8.094 22 HB2 PRO 45 2HB PRO 45 4.955 -12.597 -6.931 23 HB3 PRO 45 3HB PRO 45 3.586 -11.978 -7.908 24 HG2 PRO 45 2HG PRO 45 3.794 -12.247 -4.893 25 HG3 PRO 45 3HG PRO 45 3.239 -10.831 -5.838 26 HD2 PRO 45 2HD PRO 45 1.506 -12.692 -4.757 27 HD3 PRO 45 3HD PRO 45 1.162 -11.827 -6.279 28 H GLN 46 H GLN 46 5.177 -15.345 -7.836 29 HA GLN 46 HA GLN 46 5.367 -17.163 -5.578 30 HB2 GLN 46 1HB GLN 46 7.235 -16.653 -7.944 31 HB3 GLN 46 2HB GLN 46 7.330 -18.031 -6.852 32 HG2 GLN 46 1HG GLN 46 5.021 -17.421 -8.748 33 HG3 GLN 46 2HG GLN 46 6.279 -18.624 -8.975 34 HE21 GLN 46 2HE2 GLN 46 3.101 -18.339 -7.980 35 HE22 GLN 46 1HE2 GLN 46 3.011 -19.734 -6.920 36 H GLY 47 H GLY 47 6.735 -14.042 -6.209 37 HA2 GLY 47 1HA GLY 47 7.860 -13.255 -3.978 38 HA3 GLY 47 2HA GLY 47 9.098 -14.425 -4.466 39 H SER 48 H SER 48 9.509 -11.514 -4.313 40 HA SER 48 HA SER 48 10.596 -11.054 -6.980 41 HB2 SER 48 1HB SER 48 8.111 -10.376 -7.049 42 HB3 SER 48 2HB SER 48 8.544 -9.086 -5.915 43 HG SER 48 HG SER 48 8.604 -8.502 -8.141 44 H THR 49 H THR 49 11.013 -8.366 -6.659 45 HA THR 49 HA THR 49 12.758 -7.062 -5.933 46 HB THR 49 HB THR 49 12.322 -6.289 -3.536 47 HG1 THR 49 1HG THR 49 10.562 -7.063 -2.511 48 HG21 THR 49 3HG2 THR 49 10.019 -6.432 -5.536 49 HG22 THR 49 1HG2 THR 49 11.329 -5.240 -5.556 50 HG23 THR 49 2HG2 THR 49 10.170 -5.243 -4.219 51 H GLN 50 H GLN 50 14.089 -9.008 -6.527 52 HA GLN 50 HA GLN 50 15.240 -10.625 -4.474 53 HB2 GLN 50 1HB GLN 50 15.702 -10.168 -7.392 54 HB3 GLN 50 2HB GLN 50 17.156 -10.568 -6.494 55 HG2 GLN 50 1HG GLN 50 16.363 -12.633 -7.172 56 HG3 GLN 50 2HG GLN 50 15.919 -12.549 -5.477 57 HE21 GLN 50 2HE2 GLN 50 14.784 -12.872 -8.723 58 HE22 GLN 50 1HE2 GLN 50 13.088 -13.087 -8.316 59 H ASN 51 H ASN 51 17.536 -10.714 -3.974 60 HA ASN 51 HA ASN 51 18.616 -8.082 -3.172 61 HB2 ASN 51 1HB ASN 51 19.586 -9.260 -1.345 62 HB3 ASN 51 2HB ASN 51 17.913 -9.809 -1.431 63 HD21 ASN 51 2HD2 ASN 51 20.808 -11.025 -0.683 64 HD22 ASN 51 1HD2 ASN 51 20.712 -12.622 -1.394 65 H ALA 52 H ALA 52 21.185 -8.457 -2.854 66 HA ALA 52 HA ALA 52 23.164 -8.440 -3.953 67 HB1 ALA 52 3HB ALA 52 22.944 -10.805 -3.195 68 HB2 ALA 52 1HB ALA 52 22.318 -11.227 -4.804 69 HB3 ALA 52 2HB ALA 52 23.974 -10.614 -4.626 70 H LEU 53 H LEU 53 20.930 -7.372 -5.462 71 HA LEU 53 HA LEU 53 21.084 -8.068 -8.198 72 HB2 LEU 53 1HB LEU 53 19.551 -6.374 -8.590 73 HB3 LEU 53 2HB LEU 53 19.132 -7.027 -7.016 74 HG LEU 53 HG LEU 53 20.620 -4.404 -7.543 75 HD11 LEU 53 1HD1 LEU 53 17.760 -5.033 -6.732 76 HD12 LEU 53 2HD1 LEU 53 18.309 -4.303 -8.253 77 HD13 LEU 53 3HD1 LEU 53 18.465 -3.411 -6.733 78 HD21 LEU 53 3HD2 LEU 53 20.208 -3.901 -5.159 79 HD22 LEU 53 1HD2 LEU 53 21.332 -5.233 -5.370 80 HD23 LEU 53 2HD2 LEU 53 19.631 -5.560 -4.902 81 H ARG 54 H ARG 54 21.369 -6.129 -9.795 82 HA ARG 54 HA ARG 54 24.117 -5.730 -10.129 83 HB2 ARG 54 1HB ARG 54 21.771 -5.309 -11.637 84 HB3 ARG 54 2HB ARG 54 22.409 -3.693 -11.417 85 HG2 ARG 54 1HG ARG 54 23.369 -4.506 -13.446 86 HG3 ARG 54 2HG ARG 54 24.655 -4.536 -12.244 87 HD2 ARG 54 1HD ARG 54 24.749 -6.517 -13.620 88 HD3 ARG 54 2HD ARG 54 24.300 -7.003 -11.983 89 HE ARG 54 HE ARG 54 21.869 -6.705 -13.144 90 HH11 ARG 54 1HH1 ARG 54 24.722 -8.523 -14.389 91 HH12 ARG 54 2HH1 ARG 54 23.682 -9.702 -15.148 92 HH21 ARG 54 1HH2 ARG 54 20.680 -8.251 -14.164 93 HH22 ARG 54 2HH2 ARG 54 21.444 -9.560 -15.051 94 H ARG 55 H ARG 55 25.529 -4.151 -9.673 95 HA ARG 55 HA ARG 55 25.195 -2.493 -7.430 96 HB2 ARG 55 1HB ARG 55 27.310 -3.462 -8.141 97 HB3 ARG 55 2HB ARG 55 27.274 -2.541 -9.647 98 HG2 ARG 55 1HG ARG 55 27.530 -0.430 -8.404 99 HG3 ARG 55 2HG ARG 55 27.370 -1.304 -6.877 100 HD2 ARG 55 1HD ARG 55 29.694 -0.840 -7.219 101 HD3 ARG 55 2HD ARG 55 29.461 -2.584 -7.428 102 HE ARG 55 HE ARG 55 29.239 -1.570 -9.990 103 HH11 ARG 55 1HH1 ARG 55 31.788 -1.530 -7.474 104 HH12 ARG 55 2HH1 ARG 55 33.054 -1.299 -8.636 105 HH21 ARG 55 1HH2 ARG 55 30.975 -0.962 -11.432 106 HH22 ARG 55 2HH2 ARG 55 32.607 -0.963 -10.828 107 H THR 56 H THR 56 23.800 -0.730 -7.378 108 HA THR 56 HA THR 56 24.268 1.396 -9.330 109 HB THR 56 HB THR 56 21.907 1.748 -9.801 110 HG1 THR 56 1HG THR 56 21.043 -0.715 -9.044 111 HG21 THR 56 3HG2 THR 56 23.112 0.355 -11.422 112 HG22 THR 56 1HG2 THR 56 21.389 -0.039 -11.332 113 HG23 THR 56 2HG2 THR 56 22.583 -1.111 -10.573 114 H GLY 57 H GLY 57 22.517 3.233 -8.565 115 HA2 GLY 57 1HA GLY 57 22.719 3.512 -5.587 116 HA3 GLY 57 2HA GLY 57 23.047 4.846 -6.718 117 H ARG 58 H ARG 58 20.934 4.426 -8.608 118 HA ARG 58 HA ARG 58 18.486 4.634 -6.993 119 HB2 ARG 58 1HB ARG 58 19.423 6.906 -8.817 120 HB3 ARG 58 2HB ARG 58 17.935 6.831 -7.864 121 HG2 ARG 58 1HG ARG 58 19.342 6.731 -5.772 122 HG3 ARG 58 2HG ARG 58 20.779 6.959 -6.793 123 HD2 ARG 58 1HD ARG 58 20.242 8.960 -5.717 124 HD3 ARG 58 2HD ARG 58 20.015 9.129 -7.467 125 HE ARG 58 HE ARG 58 17.547 8.313 -6.307 126 HH11 ARG 58 1HH1 ARG 58 19.478 11.332 -6.231 127 HH12 ARG 58 2HH1 ARG 58 18.077 12.282 -5.883 128 HH21 ARG 58 1HH2 ARG 58 15.838 9.556 -6.022 129 HH22 ARG 58 2HH2 ARG 58 15.919 11.303 -6.074 130 H VAL 59 H VAL 59 16.725 3.939 -8.204 131 HA VAL 59 HA VAL 59 16.911 3.715 -11.115 132 HB VAL 59 HB VAL 59 16.267 1.278 -9.392 133 HG11 VAL 59 1HG1 VAL 59 15.111 1.177 -11.509 134 HG12 VAL 59 2HG1 VAL 59 16.541 1.704 -12.405 135 HG13 VAL 59 3HG1 VAL 59 16.467 0.089 -11.634 136 HG21 VAL 59 3HG2 VAL 59 18.346 0.239 -10.199 137 HG22 VAL 59 1HG2 VAL 59 18.816 1.773 -10.990 138 HG23 VAL 59 2HG2 VAL 59 18.691 1.645 -9.220 139 H ASN 60 H ASN 60 14.743 3.250 -12.001 140 HA ASN 60 HA ASN 60 12.696 4.803 -10.828 141 HB2 ASN 60 1HB ASN 60 13.006 3.060 -13.235 142 HB3 ASN 60 2HB ASN 60 11.360 3.128 -12.621 143 HD21 ASN 60 2HD2 ASN 60 14.140 5.333 -13.207 144 HD22 ASN 60 1HD2 ASN 60 13.176 6.712 -13.621 145 H GLY 61 H GLY 61 10.493 4.080 -10.330 146 HA2 GLY 61 1HA GLY 61 8.927 2.545 -9.539 147 HA3 GLY 61 2HA GLY 61 10.208 1.405 -9.100 148 H GLY 62 H GLY 62 10.844 1.400 -6.922 149 HA2 GLY 62 1HA GLY 62 10.797 3.841 -5.361 150 HA3 GLY 62 2HA GLY 62 9.564 2.663 -4.963 151 H HIS 63 H HIS 63 10.395 2.365 -3.079 152 HA HIS 63 HA HIS 63 13.060 1.462 -2.313 153 HB2 HIS 63 1HB HIS 63 10.371 1.750 -0.864 154 HB3 HIS 63 2HB HIS 63 11.884 1.381 -0.059 155 HD1 HIS 63 HD1 HIS 63 13.898 3.447 -0.633 156 HD2 HIS 63 HD2 HIS 63 9.756 4.245 -0.754 157 HE1 HIS 63 HE1 HIS 63 13.640 5.964 -0.381 158 HA PRO 64 HA PRO 64 12.029 -2.870 -2.574 159 HB2 PRO 64 2HB PRO 64 13.393 -4.063 -0.566 160 HB3 PRO 64 3HB PRO 64 14.241 -3.251 -1.917 161 HG2 PRO 64 2HG PRO 64 13.625 -2.138 0.847 162 HG3 PRO 64 3HG PRO 64 15.180 -2.113 -0.032 163 HD2 PRO 64 2HD PRO 64 13.485 0.009 -0.054 164 HD3 PRO 64 3HD PRO 64 14.447 -0.433 -1.495 165 H VAL 65 H VAL 65 10.402 -4.221 -1.890 166 HA VAL 65 HA VAL 65 9.264 -3.916 0.827 167 HB VAL 65 HB VAL 65 7.056 -3.763 0.043 168 HG11 VAL 65 1HG1 VAL 65 8.727 -1.687 -1.410 169 HG12 VAL 65 2HG1 VAL 65 7.007 -1.605 -1.085 170 HG13 VAL 65 3HG1 VAL 65 8.153 -1.622 0.268 171 HG21 VAL 65 3HG2 VAL 65 6.346 -3.553 -2.246 172 HG22 VAL 65 1HG2 VAL 65 8.021 -3.700 -2.854 173 HG23 VAL 65 2HG2 VAL 65 7.204 -5.082 -2.077 174 H THR 66 H THR 66 7.864 -5.765 1.391 175 HA THR 66 HA THR 66 8.610 -8.239 -0.017 176 HB THR 66 HB THR 66 8.572 -9.085 2.564 177 HG1 THR 66 1HG THR 66 8.450 -6.760 3.243 178 HG21 THR 66 3HG2 THR 66 10.355 -9.541 0.952 179 HG22 THR 66 1HG2 THR 66 11.079 -8.901 2.436 180 HG23 THR 66 2HG2 THR 66 10.898 -7.854 1.021 181 H THR 67 H THR 67 7.068 -9.952 0.299 182 HA THR 67 HA THR 67 4.466 -9.521 -0.236 183 HB THR 67 HB THR 67 5.592 -11.669 1.623 184 HG1 THR 67 1HG THR 67 5.781 -12.123 -1.096 185 HG21 THR 67 3HG2 THR 67 3.170 -11.911 1.123 186 HG22 THR 67 1HG2 THR 67 4.089 -13.218 0.355 187 HG23 THR 67 2HG2 THR 67 3.508 -11.846 -0.613 188 H GLN 68 H GLN 68 5.792 -9.983 2.983 189 HA GLN 68 HA GLN 68 3.555 -9.905 4.591 190 HB2 GLN 68 1HB GLN 68 5.148 -9.381 6.391 191 HB3 GLN 68 2HB GLN 68 5.830 -10.559 5.269 192 HG2 GLN 68 1HG GLN 68 6.908 -8.435 4.089 193 HG3 GLN 68 2HG GLN 68 6.521 -7.621 5.596 194 HE21 GLN 68 2HE2 GLN 68 8.305 -10.460 4.176 195 HE22 GLN 68 1HE2 GLN 68 9.490 -10.476 5.413 196 H MET 69 H MET 69 5.343 -7.065 3.216 197 HA MET 69 HA MET 69 3.992 -5.196 4.910 198 HB2 MET 69 1HB MET 69 5.390 -4.935 2.225 199 HB3 MET 69 2HB MET 69 4.847 -3.567 3.199 200 HG2 MET 69 1HG MET 69 6.384 -4.131 4.983 201 HG3 MET 69 2HG MET 69 6.773 -5.674 4.238 202 HE1 MET 69 3HE MET 69 8.192 -1.570 2.640 203 HE2 MET 69 1HE MET 69 6.510 -2.079 2.411 204 HE3 MET 69 2HE MET 69 7.144 -1.802 4.051 205 H VAL 70 H VAL 70 3.316 -6.580 1.637 206 HA VAL 70 HA VAL 70 1.084 -4.964 1.078 207 HB VAL 70 HB VAL 70 1.298 -7.863 0.177 208 HG11 VAL 70 1HG1 VAL 70 0.012 -7.144 -1.681 209 HG12 VAL 70 2HG1 VAL 70 -0.846 -6.665 -0.233 210 HG13 VAL 70 3HG1 VAL 70 0.066 -5.449 -1.170 211 HG21 VAL 70 3HG2 VAL 70 2.402 -7.069 -1.849 212 HG22 VAL 70 1HG2 VAL 70 2.678 -5.501 -1.061 213 HG23 VAL 70 2HG2 VAL 70 3.377 -7.034 -0.390 214 H GLU 71 H GLU 71 1.142 -8.265 2.442 215 HA GLU 71 HA GLU 71 -1.653 -8.363 2.903 216 HB2 GLU 71 1HB GLU 71 -1.091 -10.156 4.625 217 HB3 GLU 71 2HB GLU 71 -0.634 -10.454 2.937 218 HG2 GLU 71 1HG GLU 71 1.605 -9.985 3.331 219 HG3 GLU 71 2HG GLU 71 1.295 -9.286 4.906 220 H THR 72 H THR 72 0.955 -7.126 5.074 221 HA THR 72 HA THR 72 -0.744 -6.751 7.319 222 HB THR 72 HB THR 72 1.689 -5.136 6.498 223 HG1 THR 72 1HG THR 72 2.750 -6.566 7.753 224 HG21 THR 72 3HG2 THR 72 0.367 -3.920 8.223 225 HG22 THR 72 1HG2 THR 72 1.831 -4.592 8.938 226 HG23 THR 72 2HG2 THR 72 0.261 -5.404 9.189 227 H VAL 73 H VAL 73 0.172 -4.141 4.895 228 HA VAL 73 HA VAL 73 -1.722 -2.280 5.773 229 HB VAL 73 HB VAL 73 -0.869 -2.832 2.913 230 HG11 VAL 73 1HG1 VAL 73 -2.060 -0.278 4.079 231 HG12 VAL 73 2HG1 VAL 73 -1.456 -0.490 2.419 232 HG13 VAL 73 3HG1 VAL 73 -2.873 -1.376 2.947 233 HG21 VAL 73 3HG2 VAL 73 0.323 -0.948 4.965 234 HG22 VAL 73 1HG2 VAL 73 1.091 -2.345 4.181 235 HG23 VAL 73 2HG2 VAL 73 0.688 -0.913 3.232 236 H GLN 74 H GLN 74 -2.175 -4.930 3.350 237 HA GLN 74 HA GLN 74 -4.845 -4.270 2.748 238 HB2 GLN 74 1HB GLN 74 -3.462 -5.844 1.437 239 HB3 GLN 74 2HB GLN 74 -3.503 -6.988 2.741 240 HG2 GLN 74 1HG GLN 74 -5.043 -7.761 1.155 241 HG3 GLN 74 2HG GLN 74 -6.035 -7.144 2.440 242 HE21 GLN 74 2HE2 GLN 74 -6.608 -4.434 1.918 243 HE22 GLN 74 1HE2 GLN 74 -7.081 -4.311 0.237 244 H ASN 75 H ASN 75 -3.656 -6.250 5.478 245 HA ASN 75 HA ASN 75 -6.251 -7.251 6.281 246 HB2 ASN 75 1HB ASN 75 -3.660 -6.791 7.845 247 HB3 ASN 75 2HB ASN 75 -5.141 -7.320 8.609 248 HD21 ASN 75 2HD2 ASN 75 -2.476 -8.349 6.673 249 HD22 ASN 75 1HD2 ASN 75 -2.799 -10.048 6.729 250 H LEU 76 H LEU 76 -4.322 -4.353 7.048 251 HA LEU 76 HA LEU 76 -6.283 -3.367 8.987 252 HB2 LEU 76 1HB LEU 76 -4.026 -1.798 7.685 253 HB3 LEU 76 2HB LEU 76 -4.908 -1.432 9.164 254 HG LEU 76 HG LEU 76 -2.705 -3.426 8.713 255 HD11 LEU 76 1HD1 LEU 76 -2.183 -1.198 9.535 256 HD12 LEU 76 2HD1 LEU 76 -1.860 -2.406 10.784 257 HD13 LEU 76 3HD1 LEU 76 -3.311 -1.399 10.896 258 HD21 LEU 76 3HD2 LEU 76 -4.343 -4.884 9.816 259 HD22 LEU 76 1HD2 LEU 76 -4.625 -3.638 11.058 260 HD23 LEU 76 2HD2 LEU 76 -3.055 -4.456 10.922 261 H ALA 77 H ALA 77 -5.585 -2.778 5.555 262 HA ALA 77 HA ALA 77 -7.797 -0.818 5.363 263 HB1 ALA 77 3HB ALA 77 -5.600 0.165 4.883 264 HB2 ALA 77 1HB ALA 77 -5.257 -1.123 3.707 265 HB3 ALA 77 2HB ALA 77 -6.552 0.024 3.391 266 HA PRO 78 HA PRO 78 -8.939 -4.736 3.101 267 HB2 PRO 78 2HB PRO 78 -11.594 -4.807 3.835 268 HB3 PRO 78 3HB PRO 78 -10.266 -5.498 4.820 269 HG2 PRO 78 2HG PRO 78 -11.598 -2.784 5.107 270 HG3 PRO 78 3HG PRO 78 -11.259 -3.995 6.388 271 HD2 PRO 78 2HD PRO 78 -9.600 -1.887 5.959 272 HD3 PRO 78 3HD PRO 78 -8.947 -3.507 6.358 273 H ASN 79 H ASN 79 -9.930 -1.438 3.075 274 HA ASN 79 HA ASN 79 -11.739 -1.627 0.790 275 HB2 ASN 79 1HB ASN 79 -12.046 -0.025 2.651 276 HB3 ASN 79 2HB ASN 79 -10.520 0.744 2.240 277 HD21 ASN 79 2HD2 ASN 79 -12.979 -0.301 -0.269 278 HD22 ASN 79 1HD2 ASN 79 -13.492 1.329 -0.571 279 H LEU 80 H LEU 80 -8.328 -1.744 0.996 280 HA LEU 80 HA LEU 80 -7.959 -0.254 -1.571 281 HB2 LEU 80 1HB LEU 80 -6.034 -1.366 0.514 282 HB3 LEU 80 2HB LEU 80 -5.509 -0.828 -1.071 283 HG LEU 80 HG LEU 80 -6.792 0.887 1.079 284 HD11 LEU 80 1HD1 LEU 80 -4.396 0.265 1.386 285 HD12 LEU 80 2HD1 LEU 80 -4.616 2.000 1.099 286 HD13 LEU 80 3HD1 LEU 80 -4.041 0.963 -0.228 287 HD21 LEU 80 3HD2 LEU 80 -7.590 1.807 -1.008 288 HD22 LEU 80 1HD2 LEU 80 -5.972 1.637 -1.761 289 HD23 LEU 80 2HD2 LEU 80 -6.261 2.820 -0.470 290 H HIS 81 H HIS 81 -6.829 -1.293 -3.334 291 HA HIS 81 HA HIS 81 -7.657 -4.047 -3.701 292 HB2 HIS 81 1HB HIS 81 -7.580 -2.183 -5.471 293 HB3 HIS 81 2HB HIS 81 -5.833 -2.278 -5.358 294 HD2 HIS 81 HD2 HIS 81 -8.875 -4.196 -6.688 295 HE1 HIS 81 HE1 HIS 81 -5.383 -5.951 -8.395 296 HE2 HIS 81 HE2 HIS 81 -7.945 -5.839 -8.502 297 HA PRO 82 HA PRO 82 -3.844 -5.604 -1.995 298 HB2 PRO 82 2HB PRO 82 -3.425 -7.904 -3.489 299 HB3 PRO 82 3HB PRO 82 -4.578 -7.751 -2.136 300 HG2 PRO 82 2HG PRO 82 -5.096 -7.557 -5.108 301 HG3 PRO 82 3HG PRO 82 -6.067 -8.404 -3.865 302 HD2 PRO 82 2HD PRO 82 -6.714 -5.948 -4.820 303 HD3 PRO 82 3HD PRO 82 -7.024 -6.385 -3.108 304 H GLU 83 H GLU 83 -4.048 -5.215 -5.541 305 HA GLU 83 HA GLU 83 -1.211 -5.375 -5.923 306 HB2 GLU 83 1HB GLU 83 -3.405 -5.682 -7.497 307 HB3 GLU 83 2HB GLU 83 -2.983 -4.029 -7.934 308 HG2 GLU 83 1HG GLU 83 -1.910 -5.270 -9.531 309 HG3 GLU 83 2HG GLU 83 -0.591 -5.046 -8.373 310 H GLN 84 H GLN 84 -3.507 -2.671 -5.493 311 HA GLN 84 HA GLN 84 -1.798 -0.491 -6.179 312 HB2 GLN 84 1HB GLN 84 -3.928 -0.729 -4.000 313 HB3 GLN 84 2HB GLN 84 -3.098 0.776 -4.385 314 HG2 GLN 84 1HG GLN 84 -4.038 0.811 -6.619 315 HG3 GLN 84 2HG GLN 84 -4.802 -0.745 -6.349 316 HE21 GLN 84 2HE2 GLN 84 -5.130 2.686 -5.924 317 HE22 GLN 84 1HE2 GLN 84 -6.600 2.659 -5.038 318 H ILE 85 H ILE 85 -2.305 -2.232 -3.122 319 HA ILE 85 HA ILE 85 -0.792 -0.690 -1.400 320 HB ILE 85 HB ILE 85 -1.308 -3.671 -1.454 321 HG12 ILE 85 1HG1 ILE 85 -2.505 -1.478 0.283 322 HG13 ILE 85 2HG1 ILE 85 -3.242 -1.975 -1.228 323 HG21 ILE 85 1HG2 ILE 85 -0.646 -3.672 0.925 324 HG22 ILE 85 2HG2 ILE 85 0.700 -3.229 -0.101 325 HG23 ILE 85 3HG2 ILE 85 -0.151 -1.963 0.801 326 HD11 ILE 85 3HD1 ILE 85 -4.348 -3.201 0.493 327 HD12 ILE 85 1HD1 ILE 85 -3.309 -4.334 -0.408 328 HD13 ILE 85 2HD1 ILE 85 -2.797 -3.735 1.179 329 H ARG 86 H ARG 86 0.473 -3.556 -3.253 330 HA ARG 86 HA ARG 86 3.116 -3.258 -2.426 331 HB2 ARG 86 1HB ARG 86 2.504 -5.138 -3.758 332 HB3 ARG 86 2HB ARG 86 2.077 -4.141 -5.144 333 HG2 ARG 86 1HG ARG 86 4.894 -4.037 -3.994 334 HG3 ARG 86 2HG ARG 86 4.419 -5.413 -4.965 335 HD2 ARG 86 1HD ARG 86 4.647 -2.509 -5.862 336 HD3 ARG 86 2HD ARG 86 5.588 -3.869 -6.396 337 HE ARG 86 HE ARG 86 3.144 -2.944 -7.453 338 HH11 ARG 86 1HH1 ARG 86 5.091 -5.870 -6.998 339 HH12 ARG 86 2HH1 ARG 86 4.126 -6.891 -8.021 340 HH21 ARG 86 1HH2 ARG 86 2.023 -4.328 -9.183 341 HH22 ARG 86 2HH2 ARG 86 2.365 -5.996 -9.217 342 H TYR 87 H TYR 87 1.590 -1.446 -5.165 343 HA TYR 87 HA TYR 87 4.005 -0.092 -5.844 344 HB2 TYR 87 2HB TYR 87 1.782 -0.275 -7.163 345 HB3 TYR 87 3HB TYR 87 1.190 1.039 -6.178 346 HD1 TYR 87 2HD TYR 87 4.503 0.325 -7.925 347 HD2 TYR 87 1HD TYR 87 1.172 3.047 -7.405 348 HE1 TYR 87 2HE TYR 87 5.494 1.828 -9.534 349 HE2 TYR 87 1HE TYR 87 2.209 4.592 -9.044 350 HH TYR 87 HH TYR 87 5.134 3.780 -10.915 351 H SER 88 H SER 88 1.408 0.675 -3.594 352 HA SER 88 HA SER 88 2.319 3.333 -2.963 353 HB2 SER 88 1HB SER 88 0.620 1.423 -1.315 354 HB3 SER 88 2HB SER 88 0.886 3.149 -0.966 355 HG SER 88 HG SER 88 -0.003 3.669 -2.965 356 H LEU 89 H LEU 89 2.841 0.183 -1.359 357 HA LEU 89 HA LEU 89 4.556 0.981 0.745 358 HB2 LEU 89 1HB LEU 89 4.553 -1.542 -0.965 359 HB3 LEU 89 2HB LEU 89 5.465 -1.347 0.529 360 HG LEU 89 HG LEU 89 2.442 -1.108 0.414 361 HD11 LEU 89 1HD1 LEU 89 2.520 -3.369 1.415 362 HD12 LEU 89 2HD1 LEU 89 4.258 -3.446 0.992 363 HD13 LEU 89 3HD1 LEU 89 3.033 -3.312 -0.278 364 HD21 LEU 89 3HD2 LEU 89 4.472 -1.207 2.657 365 HD22 LEU 89 1HD2 LEU 89 2.763 -1.619 2.872 366 HD23 LEU 89 2HD2 LEU 89 3.216 -0.003 2.312 367 H GLU 90 H GLU 90 5.283 0.334 -2.725 368 HA GLU 90 HA GLU 90 8.160 0.438 -2.326 369 HB2 GLU 90 1HB GLU 90 6.357 0.585 -4.780 370 HB3 GLU 90 2HB GLU 90 8.067 0.970 -4.868 371 HG2 GLU 90 1HG GLU 90 8.423 -1.352 -3.683 372 HG3 GLU 90 2HG GLU 90 6.774 -1.684 -4.167 373 H ASN 91 H ASN 91 5.616 2.850 -3.082 374 HA ASN 91 HA ASN 91 7.619 4.939 -3.501 375 HB2 ASN 91 1HB ASN 91 4.590 4.956 -3.335 376 HB3 ASN 91 2HB ASN 91 5.552 6.439 -3.398 377 HD21 ASN 91 2HD2 ASN 91 4.674 3.498 -5.264 378 HD22 ASN 91 1HD2 ASN 91 5.421 4.052 -6.754 379 H THR 92 H THR 92 5.337 4.196 -0.739 380 HA THR 92 HA THR 92 6.270 6.366 0.849 381 HB THR 92 HB THR 92 4.923 5.202 2.565 382 HG1 THR 92 1HG THR 92 3.827 3.237 1.734 383 HG21 THR 92 3HG2 THR 92 2.749 5.154 1.434 384 HG22 THR 92 1HG2 THR 92 3.534 5.166 -0.155 385 HG23 THR 92 2HG2 THR 92 3.692 6.570 0.923 386 H GLY 93 H GLY 93 7.096 2.909 0.593 387 HA2 GLY 93 1HA GLY 93 9.048 1.832 1.084 388 HA3 GLY 93 2HA GLY 93 9.659 3.249 1.951 389 H SER 94 H SER 94 6.542 2.872 3.170 390 HA SER 94 HA SER 94 7.240 0.820 5.182 391 HB2 SER 94 1HB SER 94 6.151 3.516 5.962 392 HB3 SER 94 2HB SER 94 6.974 2.320 6.966 393 HG SER 94 HG SER 94 8.923 2.862 5.910 394 H VAL 95 H VAL 95 5.579 -0.125 6.098 395 HA VAL 95 HA VAL 95 2.989 -0.295 4.812 396 HB VAL 95 HB VAL 95 4.028 -1.278 7.505 397 HG11 VAL 95 1HG1 VAL 95 2.219 -2.520 7.965 398 HG12 VAL 95 2HG1 VAL 95 1.421 -1.094 7.314 399 HG13 VAL 95 3HG1 VAL 95 1.605 -2.548 6.309 400 HG21 VAL 95 3HG2 VAL 95 4.199 -3.458 6.452 401 HG22 VAL 95 1HG2 VAL 95 3.616 -2.758 4.915 402 HG23 VAL 95 2HG2 VAL 95 5.186 -2.260 5.604 403 H GLU 96 H GLU 96 4.127 0.939 7.959 404 HA GLU 96 HA GLU 96 1.842 2.000 9.014 405 HB2 GLU 96 1HB GLU 96 3.323 3.210 10.464 406 HB3 GLU 96 2HB GLU 96 4.069 1.659 10.035 407 HG2 GLU 96 1HG GLU 96 5.300 3.037 8.180 408 HG3 GLU 96 2HG GLU 96 4.865 4.440 9.156 409 H GLU 97 H GLU 97 4.173 3.763 6.938 410 HA GLU 97 HA GLU 97 2.767 6.194 6.812 411 HB2 GLU 97 1HB GLU 97 5.112 5.867 6.081 412 HB3 GLU 97 2HB GLU 97 4.559 4.899 4.715 413 HG2 GLU 97 1HG GLU 97 5.106 7.051 3.899 414 HG3 GLU 97 2HG GLU 97 3.362 6.899 3.802 415 H THR 98 H THR 98 2.529 3.310 4.746 416 HA THR 98 HA THR 98 0.650 4.322 2.890 417 HB THR 98 HB THR 98 1.107 1.438 3.735 418 HG1 THR 98 1HG THR 98 3.062 2.213 3.159 419 HG21 THR 98 3HG2 THR 98 0.515 0.928 1.417 420 HG22 THR 98 1HG2 THR 98 0.197 2.654 1.114 421 HG23 THR 98 2HG2 THR 98 -0.832 1.751 2.250 422 H VAL 99 H VAL 99 0.232 2.732 6.002 423 HA VAL 99 HA VAL 99 -2.678 2.631 5.839 424 HB VAL 99 HB VAL 99 -0.715 2.208 8.133 425 HG11 VAL 99 1HG1 VAL 99 -2.623 1.090 9.294 426 HG12 VAL 99 2HG1 VAL 99 -2.874 2.827 9.120 427 HG13 VAL 99 3HG1 VAL 99 -3.706 1.690 8.029 428 HG21 VAL 99 3HG2 VAL 99 -2.402 0.208 6.547 429 HG22 VAL 99 1HG2 VAL 99 -0.693 0.538 6.230 430 HG23 VAL 99 2HG2 VAL 99 -1.167 -0.156 7.774 431 H GLU 100 H GLU 100 -0.292 4.919 7.159 432 HA GLU 100 HA GLU 100 -2.092 6.579 8.629 433 HB2 GLU 100 1HB GLU 100 0.715 6.962 7.506 434 HB3 GLU 100 2HB GLU 100 -0.161 8.248 8.286 435 HG2 GLU 100 1HG GLU 100 -0.460 6.412 10.225 436 HG3 GLU 100 2HG GLU 100 1.022 5.786 9.532 437 H ARG 101 H ARG 101 -0.930 6.658 5.275 438 HA ARG 101 HA ARG 101 -2.335 9.188 4.696 439 HB2 ARG 101 1HB ARG 101 -1.511 8.817 2.428 440 HB3 ARG 101 2HB ARG 101 -0.199 8.563 3.590 441 HG2 ARG 101 1HG ARG 101 -0.804 6.078 3.421 442 HG3 ARG 101 2HG ARG 101 -1.805 6.513 2.054 443 HD2 ARG 101 1HD ARG 101 1.185 6.774 2.368 444 HD3 ARG 101 2HD ARG 101 0.365 5.655 1.278 445 HE ARG 101 HE ARG 101 0.735 8.518 1.070 446 HH11 ARG 101 1HH1 ARG 101 -1.288 5.848 -0.236 447 HH12 ARG 101 2HH1 ARG 101 -1.727 6.755 -1.640 448 HH21 ARG 101 1HH2 ARG 101 0.231 9.566 -1.005 449 HH22 ARG 101 2HH2 ARG 101 -0.987 8.834 -2.036 450 H TYR 102 H TYR 102 -2.874 5.719 4.269 451 HA TYR 102 HA TYR 102 -5.193 5.761 2.628 452 HB2 TYR 102 2HB TYR 102 -4.263 3.676 2.987 453 HB3 TYR 102 3HB TYR 102 -4.103 3.905 4.721 454 HD1 TYR 102 1HD TYR 102 -6.589 3.323 2.011 455 HD2 TYR 102 2HD TYR 102 -5.781 3.306 6.246 456 HE1 TYR 102 1HE TYR 102 -8.632 1.989 2.382 457 HE2 TYR 102 2HE TYR 102 -7.791 2.048 6.660 458 HH TYR 102 HH TYR 102 -9.902 1.394 5.594 459 H LEU 103 H LEU 103 -5.102 5.728 6.234 460 HA LEU 103 HA LEU 103 -7.897 6.210 6.511 461 HB2 LEU 103 1HB LEU 103 -7.438 6.851 8.806 462 HB3 LEU 103 2HB LEU 103 -6.648 5.371 8.326 463 HG LEU 103 HG LEU 103 -4.544 6.868 7.920 464 HD11 LEU 103 1HD1 LEU 103 -6.411 8.731 9.393 465 HD12 LEU 103 2HD1 LEU 103 -5.159 9.109 8.180 466 HD13 LEU 103 3HD1 LEU 103 -4.729 8.763 9.857 467 HD21 LEU 103 3HD2 LEU 103 -3.882 6.649 10.304 468 HD22 LEU 103 1HD2 LEU 103 -4.614 5.195 9.629 469 HD23 LEU 103 2HD2 LEU 103 -5.566 6.247 10.708 470 H ARG 104 H ARG 104 -5.513 8.434 5.472 471 HA ARG 104 HA ARG 104 -7.014 10.871 6.245 472 HB2 ARG 104 1HB ARG 104 -4.969 11.809 6.022 473 HB3 ARG 104 2HB ARG 104 -4.295 10.298 5.462 474 HG2 ARG 104 1HG ARG 104 -5.209 10.975 3.136 475 HG3 ARG 104 2HG ARG 104 -5.360 12.609 3.799 476 HD2 ARG 104 1HD ARG 104 -2.935 10.839 3.448 477 HD3 ARG 104 2HD ARG 104 -3.416 12.169 2.380 478 HE ARG 104 HE ARG 104 -3.046 13.621 4.494 479 HH11 ARG 104 1HH1 ARG 104 -1.040 11.149 2.981 480 HH12 ARG 104 2HH1 ARG 104 0.361 11.404 3.995 481 HH21 ARG 104 1HH2 ARG 104 -1.086 14.269 5.604 482 HH22 ARG 104 2HH2 ARG 104 0.332 13.307 5.440 483 H GLY 105 H GLY 105 -6.963 8.477 3.720 484 HA2 GLY 105 1HA GLY 105 -8.447 8.169 2.023 485 HA3 GLY 105 2HA GLY 105 -9.095 9.816 2.254 486 H ASP 106 H ASP 106 -5.656 9.042 1.945 487 HA ASP 106 HA ASP 106 -5.096 11.054 0.019 488 HB2 ASP 106 1HB ASP 106 -3.579 9.543 1.697 489 HB3 ASP 106 2HB ASP 106 -3.275 8.702 0.172 490 H GLU 107 H GLU 107 -3.728 10.361 -1.997 491 HA GLU 107 HA GLU 107 -5.493 8.779 -3.707 492 HB2 GLU 107 1HB GLU 107 -4.086 9.570 -5.487 493 HB3 GLU 107 2HB GLU 107 -4.708 10.883 -4.450 494 HG2 GLU 107 1HG GLU 107 -2.534 11.195 -3.450 495 HG3 GLU 107 2HG GLU 107 -1.877 9.804 -4.305 496 H PHE 108 H PHE 108 -5.109 6.918 -4.650 497 HA PHE 108 HA PHE 108 -2.566 5.470 -4.077 498 HB2 PHE 108 2HB PHE 108 -5.395 4.541 -3.467 499 HB3 PHE 108 3HB PHE 108 -4.087 3.418 -3.784 500 HD1 PHE 108 2HD PHE 108 -5.074 6.192 -1.457 501 HD2 PHE 108 1HD PHE 108 -2.634 2.703 -2.114 502 HE1 PHE 108 2HE PHE 108 -4.275 6.337 0.846 503 HE2 PHE 108 1HE PHE 108 -1.884 2.792 0.230 504 HZ PHE 108 HZ PHE 108 -2.678 4.616 1.735 505 H SER 109 H SER 109 -1.813 5.302 -6.018 506 HA SER 109 HA SER 109 -3.522 4.693 -8.360 507 HB2 SER 109 1HB SER 109 -0.519 5.198 -8.083 508 HB3 SER 109 2HB SER 109 -1.356 4.956 -9.626 509 HG SER 109 HG SER 109 -0.982 7.184 -8.482 510 H PHE 110 H PHE 110 -2.377 3.049 -9.929 511 HA PHE 110 HA PHE 110 -2.013 0.521 -8.426 512 HB2 PHE 110 2HB PHE 110 -3.115 1.212 -11.161 513 HB3 PHE 110 3HB PHE 110 -2.544 -0.397 -10.822 514 HD1 PHE 110 1HD PHE 110 -4.989 2.203 -9.632 515 HD2 PHE 110 2HD PHE 110 -3.852 -1.963 -9.577 516 HE1 PHE 110 1HE PHE 110 -7.061 1.643 -8.400 517 HE2 PHE 110 2HE PHE 110 -5.962 -2.511 -8.426 518 HZ PHE 110 HZ PHE 110 -7.551 -0.690 -7.777 519 HA PRO 111 HA PRO 111 2.149 0.334 -9.762 520 HB2 PRO 111 2HB PRO 111 2.481 -2.381 -10.306 521 HB3 PRO 111 3HB PRO 111 2.470 -1.679 -8.667 522 HG2 PRO 111 2HG PRO 111 0.242 -3.063 -10.174 523 HG3 PRO 111 3HG PRO 111 0.644 -3.164 -8.433 524 HD2 PRO 111 2HD PRO 111 -1.386 -1.658 -9.440 525 HD3 PRO 111 3HD PRO 111 -0.488 -1.178 -7.978 526 HA PRO 112 HA PRO 112 2.506 0.345 -14.092 527 HB2 PRO 112 2HB PRO 112 5.089 -0.555 -14.604 528 HB3 PRO 112 3HB PRO 112 4.671 1.073 -13.992 529 HG2 PRO 112 2HG PRO 112 5.507 -1.361 -12.385 530 HG3 PRO 112 3HG PRO 112 6.123 0.322 -12.262 531 HD2 PRO 112 2HD PRO 112 4.227 -0.557 -10.557 532 HD3 PRO 112 3HD PRO 112 4.100 1.078 -11.290 533 H GLY 113 H GLY 113 2.179 -1.061 -15.860 534 HA2 GLY 113 1HA GLY 113 2.079 -3.120 -16.975 535 HA3 GLY 113 2HA GLY 113 2.557 -3.972 -15.511 536 H PHE 114 H PHE 114 0.173 -1.905 -14.371 537 HA PHE 114 HA PHE 114 -1.838 -4.044 -14.484 538 HB2 PHE 114 2HB PHE 114 -1.160 -2.849 -12.415 539 HB3 PHE 114 3HB PHE 114 -1.808 -1.360 -13.067 540 HD1 PHE 114 2HD PHE 114 -2.676 -4.684 -11.674 541 HD2 PHE 114 1HD PHE 114 -4.147 -0.991 -13.280 542 HE1 PHE 114 2HE PHE 114 -4.900 -5.159 -10.674 543 HE2 PHE 114 1HE PHE 114 -6.418 -1.461 -12.305 544 HZ PHE 114 HZ PHE 114 -6.770 -3.542 -10.973 545 H GLU 115 H GLU 115 -1.261 -0.917 -15.991 546 HA GLU 115 HA GLU 115 -4.001 -0.533 -16.909 547 HB2 GLU 115 1HB GLU 115 -3.187 1.308 -18.251 548 HB3 GLU 115 2HB GLU 115 -2.664 1.443 -16.579 549 HG2 GLU 115 1HG GLU 115 -0.465 0.564 -17.187 550 HG3 GLU 115 2HG GLU 115 -0.914 0.540 -18.896
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