NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620038 | 5ubs | 30221 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -12.142 -1.884 -4.037 2 HA MET 1 HA MET 1 -13.921 -2.524 -6.298 3 HB2 MET 1 2HB MET 1 -14.345 -0.255 -4.359 4 HB3 MET 1 3HB MET 1 -15.483 -0.900 -5.534 5 HG2 MET 1 2HG MET 1 -14.493 -2.302 -3.062 6 HG3 MET 1 3HG MET 1 -16.081 -1.573 -3.287 7 HE1 MET 1 1HE MET 1 -16.851 -4.576 -2.513 8 HE2 MET 1 2HE MET 1 -17.639 -3.066 -2.969 9 HE3 MET 1 3HE MET 1 -17.989 -4.548 -3.860 10 H THR 2 H THR 2 -13.107 -1.754 -8.126 11 HA THR 2 HA THR 2 -11.596 0.772 -8.052 12 HB THR 2 HB THR 2 -10.472 0.093 -10.065 13 HG1 THR 2 HG1 THR 2 -12.127 -2.230 -10.009 14 HG21 THR 2 1HG2 THR 2 -9.802 -0.895 -7.791 15 HG22 THR 2 2HG2 THR 2 -9.155 -1.664 -9.240 16 HG23 THR 2 3HG2 THR 2 -10.511 -2.397 -8.384 17 H PHE 3 H PHE 3 -12.396 2.506 -9.049 18 HA PHE 3 HA PHE 3 -14.788 2.158 -10.718 19 HB2 PHE 3 2HB PHE 3 -13.811 4.344 -8.931 20 HB3 PHE 3 3HB PHE 3 -14.845 4.768 -10.291 21 HD1 PHE 3 HD1 PHE 3 -14.660 3.106 -7.055 22 HD2 PHE 3 HD2 PHE 3 -17.156 4.021 -10.379 23 HE1 PHE 3 HE1 PHE 3 -16.642 2.496 -5.730 24 HE2 PHE 3 HE2 PHE 3 -19.142 3.413 -9.060 25 HZ PHE 3 HZ PHE 3 -18.886 2.650 -6.732 26 H LYS 4 H LYS 4 -15.034 3.485 -12.619 27 HA LYS 4 HA LYS 4 -12.525 4.494 -13.760 28 HB2 LYS 4 2HB LYS 4 -12.770 2.260 -14.656 29 HB3 LYS 4 3HB LYS 4 -14.441 2.579 -15.101 30 HG2 LYS 4 2HG LYS 4 -13.615 4.330 -16.670 31 HG3 LYS 4 3HG LYS 4 -11.971 3.802 -16.306 32 HD2 LYS 4 2HD LYS 4 -14.084 1.904 -17.291 33 HD3 LYS 4 3HD LYS 4 -13.066 2.833 -18.394 34 HE2 LYS 4 2HE LYS 4 -11.150 1.704 -17.785 35 HE3 LYS 4 3HE LYS 4 -11.795 1.245 -16.210 36 HZ1 LYS 4 1HZ LYS 4 -13.250 0.144 -18.439 37 HZ2 LYS 4 2HZ LYS 4 -12.684 -0.614 -17.037 38 HZ3 LYS 4 3HZ LYS 4 -11.645 -0.383 -18.352 39 H LEU 5 H LEU 5 -12.758 6.469 -14.569 40 HA LEU 5 HA LEU 5 -15.471 7.472 -15.054 41 HB2 LEU 5 2HB LEU 5 -13.004 9.167 -14.962 42 HB3 LEU 5 3HB LEU 5 -14.677 9.628 -14.649 43 HG LEU 5 HG LEU 5 -14.376 7.969 -12.609 44 HD11 LEU 5 1HD1 LEU 5 -11.959 8.556 -11.760 45 HD12 LEU 5 2HD1 LEU 5 -11.610 8.624 -13.487 46 HD13 LEU 5 3HD1 LEU 5 -12.251 7.143 -12.776 47 HD21 LEU 5 1HD2 LEU 5 -13.513 9.989 -11.303 48 HD22 LEU 5 2HD2 LEU 5 -15.016 10.184 -12.204 49 HD23 LEU 5 3HD2 LEU 5 -13.509 10.832 -12.852 50 H ILE 6 H ILE 6 -16.093 7.249 -17.102 51 HA ILE 6 HA ILE 6 -14.126 7.737 -19.236 52 HB ILE 6 HB ILE 6 -16.787 6.339 -19.500 53 HG12 ILE 6 2HG1 ILE 6 -14.994 4.366 -19.845 54 HG13 ILE 6 3HG1 ILE 6 -14.101 5.358 -18.697 55 HG21 ILE 6 1HG2 ILE 6 -14.438 6.699 -21.344 56 HG22 ILE 6 2HG2 ILE 6 -15.691 5.487 -21.609 57 HG23 ILE 6 3HG2 ILE 6 -16.110 7.200 -21.597 58 HD11 ILE 6 1HD1 ILE 6 -16.932 4.546 -18.173 59 HD12 ILE 6 2HD1 ILE 6 -15.577 3.485 -17.787 60 HD13 ILE 6 3HD1 ILE 6 -15.697 5.074 -17.031 61 H ILE 7 H ILE 7 -14.265 9.608 -20.264 62 HA ILE 7 HA ILE 7 -16.729 11.170 -20.079 63 HB ILE 7 HB ILE 7 -14.057 12.030 -21.188 64 HG12 ILE 7 2HG1 ILE 7 -14.200 13.342 -18.865 65 HG13 ILE 7 3HG1 ILE 7 -15.130 11.918 -18.413 66 HG21 ILE 7 1HG2 ILE 7 -14.997 14.311 -20.700 67 HG22 ILE 7 2HG2 ILE 7 -15.783 13.434 -22.013 68 HG23 ILE 7 3HG2 ILE 7 -16.554 13.528 -20.430 69 HD11 ILE 7 1HD1 ILE 7 -12.785 11.054 -19.751 70 HD12 ILE 7 2HD1 ILE 7 -12.328 12.232 -18.520 71 HD13 ILE 7 3HD1 ILE 7 -13.259 10.803 -18.071 72 H ASN 8 H ASN 8 -18.164 10.916 -21.653 73 HA ASN 8 HA ASN 8 -17.254 10.174 -24.334 74 HB2 ASN 8 2HB ASN 8 -19.167 8.995 -22.999 75 HB3 ASN 8 3HB ASN 8 -20.140 10.362 -23.535 76 HD21 ASN 8 1HD2 ASN 8 -20.323 7.515 -24.193 77 HD22 ASN 8 2HD2 ASN 8 -20.221 7.423 -25.915 78 H GLY 9 H GLY 9 -16.443 12.248 -24.917 79 HA2 GLY 9 2HA GLY 9 -18.450 13.930 -26.113 80 HA3 GLY 9 3HA GLY 9 -17.622 14.697 -24.766 81 H LYS 10 H LYS 10 -17.672 15.117 -27.783 82 HA LYS 10 HA LYS 10 -15.152 14.495 -28.850 83 HB2 LYS 10 2HB LYS 10 -17.342 15.461 -29.953 84 HB3 LYS 10 3HB LYS 10 -16.567 17.008 -29.640 85 HG2 LYS 10 2HG LYS 10 -14.892 16.635 -31.155 86 HG3 LYS 10 3HG LYS 10 -15.007 14.879 -31.015 87 HD2 LYS 10 2HD LYS 10 -17.237 16.497 -32.205 88 HD3 LYS 10 3HD LYS 10 -15.854 15.990 -33.177 89 HE2 LYS 10 2HE LYS 10 -16.365 13.730 -32.942 90 HE3 LYS 10 3HE LYS 10 -17.380 14.008 -31.528 91 HZ1 LYS 10 1HZ LYS 10 -18.539 13.501 -33.708 92 HZ2 LYS 10 2HZ LYS 10 -18.105 15.062 -34.194 93 HZ3 LYS 10 3HZ LYS 10 -19.101 14.843 -32.844 94 H THR 11 H THR 11 -16.201 17.013 -26.700 95 HA THR 11 HA THR 11 -14.041 18.801 -27.068 96 HB THR 11 HB THR 11 -14.713 19.832 -24.984 97 HG1 THR 11 HG1 THR 11 -15.672 18.717 -23.456 98 HG21 THR 11 1HG2 THR 11 -17.303 18.919 -26.185 99 HG22 THR 11 2HG2 THR 11 -16.187 19.914 -27.121 100 HG23 THR 11 3HG2 THR 11 -16.846 20.519 -25.601 101 H LEU 12 H LEU 12 -14.612 16.229 -24.679 102 HA LEU 12 HA LEU 12 -11.710 16.113 -24.238 103 HB2 LEU 12 2HB LEU 12 -13.110 17.285 -22.401 104 HB3 LEU 12 3HB LEU 12 -13.639 15.654 -21.994 105 HG LEU 12 HG LEU 12 -10.731 16.416 -22.083 106 HD11 LEU 12 1HD1 LEU 12 -12.666 16.644 -19.787 107 HD12 LEU 12 2HD1 LEU 12 -11.693 17.926 -20.506 108 HD13 LEU 12 3HD1 LEU 12 -10.912 16.628 -19.602 109 HD21 LEU 12 1HD2 LEU 12 -12.342 14.112 -21.063 110 HD22 LEU 12 2HD2 LEU 12 -10.784 14.499 -20.331 111 HD23 LEU 12 3HD2 LEU 12 -10.879 14.109 -22.049 112 H LYS 13 H LYS 13 -10.890 14.132 -24.432 113 HA LYS 13 HA LYS 13 -12.687 11.823 -24.114 114 HB2 LYS 13 2HB LYS 13 -10.886 12.514 -26.398 115 HB3 LYS 13 3HB LYS 13 -11.119 10.821 -25.985 116 HG2 LYS 13 2HG LYS 13 -13.503 12.573 -26.339 117 HG3 LYS 13 3HG LYS 13 -12.639 11.980 -27.760 118 HD2 LYS 13 2HD LYS 13 -13.378 10.048 -25.613 119 HD3 LYS 13 3HD LYS 13 -14.633 10.615 -26.717 120 HE2 LYS 13 2HE LYS 13 -13.900 8.798 -27.884 121 HE3 LYS 13 3HE LYS 13 -12.802 10.017 -28.529 122 HZ1 LYS 13 1HZ LYS 13 -11.783 8.828 -26.147 123 HZ2 LYS 13 2HZ LYS 13 -11.064 8.963 -27.671 124 HZ3 LYS 13 3HZ LYS 13 -12.091 7.662 -27.333 125 H GLY 14 H GLY 14 -11.964 10.933 -22.269 126 HA2 GLY 14 2HA GLY 14 -9.223 9.943 -22.236 127 HA3 GLY 14 3HA GLY 14 -9.665 11.043 -20.938 128 H GLU 15 H GLU 15 -8.833 8.663 -20.142 129 HA GLU 15 HA GLU 15 -11.156 7.561 -18.863 130 HB2 GLU 15 2HB GLU 15 -11.276 6.320 -20.944 131 HB3 GLU 15 3HB GLU 15 -9.583 5.867 -20.809 132 HG2 GLU 15 2HG GLU 15 -11.425 5.109 -18.607 133 HG3 GLU 15 3HG GLU 15 -11.514 4.220 -20.126 134 H THR 16 H THR 16 -10.633 6.877 -16.882 135 HA THR 16 HA THR 16 -7.894 5.991 -16.338 136 HB THR 16 HB THR 16 -7.645 7.399 -14.406 137 HG1 THR 16 HG1 THR 16 -9.454 9.117 -14.273 138 HG21 THR 16 1HG2 THR 16 -6.999 8.382 -16.564 139 HG22 THR 16 2HG2 THR 16 -7.562 9.613 -15.433 140 HG23 THR 16 3HG2 THR 16 -8.617 9.061 -16.733 141 H THR 17 H THR 17 -7.682 4.934 -14.215 142 HA THR 17 HA THR 17 -10.054 4.142 -12.805 143 HB THR 17 HB THR 17 -8.570 1.890 -14.140 144 HG1 THR 17 HG1 THR 17 -9.476 2.641 -15.922 145 HG21 THR 17 1HG2 THR 17 -11.423 1.892 -13.224 146 HG22 THR 17 2HG2 THR 17 -10.114 1.669 -12.063 147 HG23 THR 17 3HG2 THR 17 -10.308 0.537 -13.402 148 H THR 18 H THR 18 -9.607 3.289 -10.802 149 HA THR 18 HA THR 18 -7.054 2.236 -10.084 150 HB THR 18 HB THR 18 -6.341 4.540 -10.140 151 HG1 THR 18 HG1 THR 18 -6.809 3.980 -7.399 152 HG21 THR 18 1HG2 THR 18 -8.629 5.522 -9.905 153 HG22 THR 18 2HG2 THR 18 -7.407 6.298 -8.898 154 HG23 THR 18 3HG2 THR 18 -8.550 5.164 -8.180 155 H GLU 19 H GLU 19 -6.920 1.731 -7.757 156 HA GLU 19 HA GLU 19 -9.589 1.131 -6.714 157 HB2 GLU 19 2HB GLU 19 -7.948 -0.719 -6.997 158 HB3 GLU 19 3HB GLU 19 -6.907 0.065 -5.816 159 HG2 GLU 19 2HG GLU 19 -8.554 -0.233 -4.091 160 HG3 GLU 19 3HG GLU 19 -9.709 -0.877 -5.256 161 H ALA 20 H ALA 20 -10.054 1.420 -4.453 162 HA ALA 20 HA ALA 20 -8.415 3.476 -3.132 163 HB1 ALA 20 1HB ALA 20 -10.221 4.833 -2.646 164 HB2 ALA 20 2HB ALA 20 -10.595 4.288 -4.282 165 HB3 ALA 20 3HB ALA 20 -11.394 3.540 -2.899 166 H VAL 21 H VAL 21 -9.756 3.772 -0.804 167 HA VAL 21 HA VAL 21 -9.110 1.345 0.576 168 HB VAL 21 HB VAL 21 -9.813 2.549 2.609 169 HG11 VAL 21 1HG1 VAL 21 -8.243 4.669 1.389 170 HG12 VAL 21 2HG1 VAL 21 -7.818 3.548 2.685 171 HG13 VAL 21 3HG1 VAL 21 -7.631 3.062 0.999 172 HG21 VAL 21 1HG2 VAL 21 -11.505 3.996 2.264 173 HG22 VAL 21 2HG2 VAL 21 -10.201 5.143 1.956 174 HG23 VAL 21 3HG2 VAL 21 -11.010 4.345 0.607 175 H ASP 22 H ASP 22 -12.060 2.980 -0.400 176 HA ASP 22 HA ASP 22 -13.565 0.551 0.123 177 HB2 ASP 22 2HB ASP 22 -13.592 2.257 2.151 178 HB3 ASP 22 3HB ASP 22 -14.800 3.065 1.156 179 H ALA 23 H ALA 23 -15.705 0.584 -0.865 180 HA ALA 23 HA ALA 23 -15.669 1.609 -3.474 181 HB1 ALA 23 1HB ALA 23 -18.343 1.057 -2.452 182 HB2 ALA 23 2HB ALA 23 -17.453 0.299 -3.773 183 HB3 ALA 23 3HB ALA 23 -17.185 -0.230 -2.112 184 H ALA 24 H ALA 24 -17.587 2.644 -0.653 185 HA ALA 24 HA ALA 24 -18.781 4.855 -1.957 186 HB1 ALA 24 1HB ALA 24 -19.721 3.797 0.055 187 HB2 ALA 24 2HB ALA 24 -18.371 4.426 1.000 188 HB3 ALA 24 3HB ALA 24 -19.515 5.538 0.248 189 H THR 25 H THR 25 -15.833 4.461 -0.085 190 HA THR 25 HA THR 25 -15.225 7.168 0.330 191 HB THR 25 HB THR 25 -13.302 4.860 -0.022 192 HG1 THR 25 HG1 THR 25 -14.832 5.819 2.134 193 HG21 THR 25 1HG2 THR 25 -12.184 6.660 1.736 194 HG22 THR 25 2HG2 THR 25 -12.918 7.703 0.517 195 HG23 THR 25 3HG2 THR 25 -11.747 6.474 0.038 196 H ALA 26 H ALA 26 -14.503 5.001 -2.366 197 HA ALA 26 HA ALA 26 -12.998 7.023 -3.779 198 HB1 ALA 26 1HB ALA 26 -13.118 4.247 -3.871 199 HB2 ALA 26 2HB ALA 26 -13.805 4.777 -5.406 200 HB3 ALA 26 3HB ALA 26 -12.189 5.304 -4.934 201 H GLU 27 H GLU 27 -16.269 5.901 -3.631 202 HA GLU 27 HA GLU 27 -17.128 6.840 -6.169 203 HB2 GLU 27 2HB GLU 27 -18.471 5.209 -5.051 204 HB3 GLU 27 3HB GLU 27 -18.617 6.219 -3.620 205 HG2 GLU 27 2HG GLU 27 -19.645 7.256 -6.210 206 HG3 GLU 27 3HG GLU 27 -20.570 6.022 -5.356 207 H LYS 28 H LYS 28 -16.932 8.289 -2.969 208 HA LYS 28 HA LYS 28 -18.342 10.673 -3.671 209 HB2 LYS 28 2HB LYS 28 -17.453 11.536 -1.515 210 HB3 LYS 28 3HB LYS 28 -18.273 9.988 -1.360 211 HG2 LYS 28 2HG LYS 28 -16.135 8.839 -1.276 212 HG3 LYS 28 3HG LYS 28 -15.289 10.373 -1.494 213 HD2 LYS 28 2HD LYS 28 -16.688 11.068 0.624 214 HD3 LYS 28 3HD LYS 28 -16.749 9.323 0.885 215 HE2 LYS 28 2HE LYS 28 -14.430 9.157 1.101 216 HE3 LYS 28 3HE LYS 28 -14.153 10.716 0.326 217 HZ1 LYS 28 1HZ LYS 28 -13.814 10.758 2.750 218 HZ2 LYS 28 2HZ LYS 28 -15.443 10.364 2.977 219 HZ3 LYS 28 3HZ LYS 28 -15.022 11.830 2.246 220 H VAL 29 H VAL 29 -15.005 9.641 -3.755 221 HA VAL 29 HA VAL 29 -13.965 12.288 -4.233 222 HB VAL 29 HB VAL 29 -12.619 9.600 -4.538 223 HG11 VAL 29 1HG1 VAL 29 -10.943 10.709 -5.481 224 HG12 VAL 29 2HG1 VAL 29 -11.795 12.241 -5.282 225 HG13 VAL 29 3HG1 VAL 29 -10.758 11.634 -3.992 226 HG21 VAL 29 1HG2 VAL 29 -12.357 11.573 -2.278 227 HG22 VAL 29 2HG2 VAL 29 -13.442 10.183 -2.238 228 HG23 VAL 29 3HG2 VAL 29 -11.700 9.939 -2.366 229 H PHE 30 H PHE 30 -14.486 9.352 -6.163 230 HA PHE 30 HA PHE 30 -13.458 10.272 -8.582 231 HB2 PHE 30 2HB PHE 30 -15.395 8.166 -7.778 232 HB3 PHE 30 3HB PHE 30 -15.385 8.638 -9.474 233 HD1 PHE 30 HD1 PHE 30 -12.758 8.067 -6.881 234 HD2 PHE 30 HD2 PHE 30 -14.213 7.173 -10.780 235 HE1 PHE 30 HE1 PHE 30 -10.813 6.611 -7.270 236 HE2 PHE 30 HE2 PHE 30 -12.271 5.715 -11.174 237 HZ PHE 30 HZ PHE 30 -10.568 5.432 -9.418 238 H LYS 31 H LYS 31 -16.395 11.066 -6.955 239 HA LYS 31 HA LYS 31 -17.848 12.013 -9.214 240 HB2 LYS 31 2HB LYS 31 -18.143 12.115 -6.267 241 HB3 LYS 31 3HB LYS 31 -18.957 13.384 -7.173 242 HG2 LYS 31 2HG LYS 31 -19.884 11.429 -8.598 243 HG3 LYS 31 3HG LYS 31 -19.426 10.435 -7.213 244 HD2 LYS 31 2HD LYS 31 -20.815 11.788 -5.751 245 HD3 LYS 31 3HD LYS 31 -21.223 12.858 -7.095 246 HE2 LYS 31 2HE LYS 31 -22.575 11.283 -8.108 247 HE3 LYS 31 3HE LYS 31 -21.768 9.930 -7.318 248 HZ1 LYS 31 1HZ LYS 31 -24.136 10.912 -6.564 249 HZ2 LYS 31 2HZ LYS 31 -23.108 11.775 -5.534 250 HZ3 LYS 31 3HZ LYS 31 -23.087 10.083 -5.527 251 H GLN 32 H GLN 32 -15.457 13.394 -7.091 252 HA GLN 32 HA GLN 32 -15.932 16.094 -8.047 253 HB2 GLN 32 2HB GLN 32 -15.337 15.931 -5.743 254 HB3 GLN 32 3HB GLN 32 -13.950 14.913 -6.105 255 HG2 GLN 32 2HG GLN 32 -12.831 16.771 -7.181 256 HG3 GLN 32 3HG GLN 32 -14.236 17.799 -6.908 257 HE21 GLN 32 1HE2 GLN 32 -12.652 15.470 -4.771 258 HE22 GLN 32 2HE2 GLN 32 -12.261 16.607 -3.531 259 H TYR 33 H TYR 33 -13.959 13.390 -8.814 260 HA TYR 33 HA TYR 33 -11.685 14.508 -9.895 261 HB2 TYR 33 2HB TYR 33 -13.232 12.033 -10.370 262 HB3 TYR 33 3HB TYR 33 -12.135 12.506 -11.662 263 HD1 TYR 33 HD1 TYR 33 -10.394 10.958 -11.528 264 HD2 TYR 33 HD2 TYR 33 -11.719 12.904 -7.984 265 HE1 TYR 33 HE1 TYR 33 -8.509 9.975 -10.291 266 HE2 TYR 33 HE2 TYR 33 -9.837 11.928 -6.737 267 HH TYR 33 HH TYR 33 -7.399 9.927 -8.359 268 H PHE 34 H PHE 34 -14.652 13.711 -11.713 269 HA PHE 34 HA PHE 34 -13.807 15.189 -14.011 270 HB2 PHE 34 2HB PHE 34 -15.861 14.535 -15.002 271 HB3 PHE 34 3HB PHE 34 -15.366 13.177 -13.997 272 HD1 PHE 34 HD1 PHE 34 -16.603 12.573 -12.024 273 HD2 PHE 34 HD2 PHE 34 -17.753 15.923 -14.384 274 HE1 PHE 34 HE1 PHE 34 -18.774 12.638 -10.867 275 HE2 PHE 34 HE2 PHE 34 -19.925 15.994 -13.230 276 HZ PHE 34 HZ PHE 34 -20.437 14.351 -11.469 277 H ASN 35 H ASN 35 -15.523 15.937 -11.119 278 HA ASN 35 HA ASN 35 -17.129 18.057 -11.850 279 HB2 ASN 35 2HB ASN 35 -16.934 17.038 -9.558 280 HB3 ASN 35 3HB ASN 35 -15.454 17.966 -9.335 281 HD21 ASN 35 1HD2 ASN 35 -15.618 19.943 -8.539 282 HD22 ASN 35 2HD2 ASN 35 -17.080 20.851 -8.394 283 H ASP 36 H ASP 36 -13.649 18.005 -11.303 284 HA ASP 36 HA ASP 36 -13.244 20.802 -11.432 285 HB2 ASP 36 2HB ASP 36 -11.655 18.862 -10.646 286 HB3 ASP 36 3HB ASP 36 -11.144 18.866 -12.332 287 H ASN 37 H ASN 37 -13.475 18.295 -13.863 288 HA ASN 37 HA ASN 37 -12.464 19.864 -16.018 289 HB2 ASN 37 2HB ASN 37 -14.178 17.370 -16.009 290 HB3 ASN 37 3HB ASN 37 -13.456 18.078 -17.451 291 HD21 ASN 37 1HD2 ASN 37 -12.604 15.796 -17.453 292 HD22 ASN 37 2HD2 ASN 37 -11.086 15.535 -16.669 293 H GLY 38 H GLY 38 -15.449 19.759 -14.361 294 HA2 GLY 38 2HA GLY 38 -17.415 20.905 -14.657 295 HA3 GLY 38 3HA GLY 38 -16.527 21.944 -15.762 296 H ILE 39 H ILE 39 -16.988 18.479 -16.165 297 HA ILE 39 HA ILE 39 -17.940 18.818 -18.828 298 HB ILE 39 HB ILE 39 -17.961 16.344 -17.096 299 HG12 ILE 39 2HG1 ILE 39 -15.994 17.056 -19.269 300 HG13 ILE 39 3HG1 ILE 39 -15.722 17.477 -17.582 301 HG21 ILE 39 1HG2 ILE 39 -17.863 15.330 -19.522 302 HG22 ILE 39 2HG2 ILE 39 -19.401 15.759 -18.775 303 HG23 ILE 39 3HG2 ILE 39 -18.656 16.848 -19.944 304 HD11 ILE 39 1HD1 ILE 39 -14.728 15.289 -18.599 305 HD12 ILE 39 2HD1 ILE 39 -15.375 15.304 -16.958 306 HD13 ILE 39 3HD1 ILE 39 -16.342 14.653 -18.281 307 H ASP 40 H ASP 40 -19.921 19.404 -19.385 308 HA ASP 40 HA ASP 40 -22.140 18.927 -17.535 309 HB2 ASP 40 2HB ASP 40 -21.604 21.216 -18.624 310 HB3 ASP 40 3HB ASP 40 -22.326 20.526 -20.075 311 H GLY 41 H GLY 41 -23.591 17.378 -17.880 312 HA2 GLY 41 2HA GLY 41 -24.811 16.658 -20.229 313 HA3 GLY 41 3HA GLY 41 -23.366 15.660 -20.163 314 H GLU 42 H GLU 42 -24.502 13.735 -19.958 315 HA GLU 42 HA GLU 42 -26.253 13.425 -17.637 316 HB2 GLU 42 2HB GLU 42 -27.084 12.561 -19.759 317 HB3 GLU 42 3HB GLU 42 -25.652 11.556 -19.936 318 HG2 GLU 42 2HG GLU 42 -26.316 10.090 -18.268 319 HG3 GLU 42 3HG GLU 42 -27.435 11.251 -17.557 320 H TRP 43 H TRP 43 -24.782 13.404 -15.943 321 HA TRP 43 HA TRP 43 -22.674 11.380 -15.973 322 HB2 TRP 43 2HB TRP 43 -21.936 12.458 -13.859 323 HB3 TRP 43 3HB TRP 43 -22.009 13.583 -15.213 324 HD1 TRP 43 HD1 TRP 43 -23.871 15.497 -15.124 325 HE1 TRP 43 HE1 TRP 43 -25.266 16.454 -13.185 326 HE3 TRP 43 HE3 TRP 43 -23.104 11.803 -11.674 327 HZ2 TRP 43 HZ2 TRP 43 -25.951 15.737 -10.541 328 HZ3 TRP 43 HZ3 TRP 43 -24.164 12.015 -9.464 329 HH2 TRP 43 HH2 TRP 43 -25.557 13.943 -8.911 330 H THR 44 H THR 44 -22.889 9.476 -15.002 331 HA THR 44 HA THR 44 -24.552 9.163 -12.654 332 HB THR 44 HB THR 44 -25.186 7.222 -14.825 333 HG1 THR 44 HG1 THR 44 -25.540 9.193 -15.871 334 HG21 THR 44 1HG2 THR 44 -27.486 7.945 -13.478 335 HG22 THR 44 2HG2 THR 44 -26.237 8.050 -12.238 336 HG23 THR 44 3HG2 THR 44 -26.475 6.545 -13.124 337 H TYR 45 H TYR 45 -24.272 7.094 -11.616 338 HA TYR 45 HA TYR 45 -21.695 5.868 -12.317 339 HB2 TYR 45 2HB TYR 45 -23.157 6.274 -9.739 340 HB3 TYR 45 3HB TYR 45 -22.035 4.924 -9.879 341 HD1 TYR 45 HD1 TYR 45 -19.819 5.276 -9.325 342 HD2 TYR 45 HD2 TYR 45 -22.185 8.601 -10.530 343 HE1 TYR 45 HE1 TYR 45 -17.938 6.784 -8.836 344 HE2 TYR 45 HE2 TYR 45 -20.310 10.118 -10.046 345 HH TYR 45 HH TYR 45 -17.947 10.100 -9.784 346 H ASP 46 H ASP 46 -21.697 3.913 -13.185 347 HA ASP 46 HA ASP 46 -24.123 2.376 -13.367 348 HB2 ASP 46 2HB ASP 46 -21.331 1.622 -14.255 349 HB3 ASP 46 3HB ASP 46 -22.837 0.862 -14.764 350 H ASP 47 H ASP 47 -24.699 1.586 -11.389 351 HA ASP 47 HA ASP 47 -22.989 0.535 -9.447 352 HB2 ASP 47 2HB ASP 47 -24.913 -0.221 -8.336 353 HB3 ASP 47 3HB ASP 47 -25.480 1.165 -9.263 354 H ALA 48 H ALA 48 -24.121 -0.817 -12.403 355 HA ALA 48 HA ALA 48 -24.071 -3.536 -11.946 356 HB1 ALA 48 1HB ALA 48 -24.541 -3.483 -14.112 357 HB2 ALA 48 2HB ALA 48 -23.986 -1.812 -14.221 358 HB3 ALA 48 3HB ALA 48 -22.845 -3.136 -14.453 359 H THR 49 H THR 49 -21.336 -1.888 -13.520 360 HA THR 49 HA THR 49 -19.533 -3.752 -12.126 361 HB THR 49 HB THR 49 -17.959 -3.480 -13.937 362 HG1 THR 49 HG1 THR 49 -19.814 -1.836 -15.310 363 HG21 THR 49 1HG2 THR 49 -20.769 -3.982 -14.922 364 HG22 THR 49 2HG2 THR 49 -19.627 -5.179 -14.309 365 HG23 THR 49 3HG2 THR 49 -19.310 -4.359 -15.837 366 H LYS 50 H LYS 50 -20.594 -1.090 -11.215 367 HA LYS 50 HA LYS 50 -19.862 0.811 -10.195 368 HB2 LYS 50 2HB LYS 50 -17.452 -0.975 -9.852 369 HB3 LYS 50 3HB LYS 50 -17.614 0.590 -9.066 370 HG2 LYS 50 2HG LYS 50 -18.341 -0.823 -7.417 371 HG3 LYS 50 3HG LYS 50 -19.866 -0.395 -8.196 372 HD2 LYS 50 2HD LYS 50 -19.947 -2.457 -9.367 373 HD3 LYS 50 3HD LYS 50 -18.277 -2.842 -8.943 374 HE2 LYS 50 2HE LYS 50 -20.264 -2.414 -6.761 375 HE3 LYS 50 3HE LYS 50 -20.293 -3.934 -7.654 376 HZ1 LYS 50 1HZ LYS 50 -18.270 -2.891 -5.823 377 HZ2 LYS 50 2HZ LYS 50 -17.725 -3.810 -7.134 378 HZ3 LYS 50 3HZ LYS 50 -18.824 -4.476 -6.034 379 H THR 51 H THR 51 -19.734 1.057 -12.899 380 HA THR 51 HA THR 51 -17.170 2.434 -13.370 381 HB THR 51 HB THR 51 -19.078 1.408 -15.478 382 HG1 THR 51 HG1 THR 51 -17.143 -0.098 -15.727 383 HG21 THR 51 1HG2 THR 51 -17.793 2.463 -16.965 384 HG22 THR 51 2HG2 THR 51 -16.330 1.759 -16.275 385 HG23 THR 51 3HG2 THR 51 -16.982 3.260 -15.618 386 H PHE 52 H PHE 52 -17.197 4.568 -13.696 387 HA PHE 52 HA PHE 52 -19.783 5.922 -13.743 388 HB2 PHE 52 2HB PHE 52 -18.229 6.720 -12.076 389 HB3 PHE 52 3HB PHE 52 -16.976 6.948 -13.291 390 HD1 PHE 52 HD1 PHE 52 -16.587 9.100 -13.959 391 HD2 PHE 52 HD2 PHE 52 -20.506 8.015 -12.700 392 HE1 PHE 52 HE1 PHE 52 -17.333 11.422 -14.291 393 HE2 PHE 52 HE2 PHE 52 -21.258 10.334 -13.031 394 HZ PHE 52 HZ PHE 52 -19.671 12.041 -13.829 395 H THR 53 H THR 53 -20.633 6.442 -15.636 396 HA THR 53 HA THR 53 -18.823 7.233 -17.825 397 HB THR 53 HB THR 53 -21.514 5.963 -18.288 398 HG1 THR 53 HG1 THR 53 -20.637 4.021 -18.100 399 HG21 THR 53 1HG2 THR 53 -19.333 6.974 -19.934 400 HG22 THR 53 2HG2 THR 53 -21.000 6.603 -20.372 401 HG23 THR 53 3HG2 THR 53 -19.789 5.321 -20.346 402 H ILE 54 H ILE 54 -19.449 8.952 -19.123 403 HA ILE 54 HA ILE 54 -21.830 10.443 -18.236 404 HB ILE 54 HB ILE 54 -19.162 11.632 -19.007 405 HG12 ILE 54 2HG1 ILE 54 -20.582 11.679 -16.338 406 HG13 ILE 54 3HG1 ILE 54 -19.276 10.569 -16.739 407 HG21 ILE 54 1HG2 ILE 54 -20.465 13.349 -19.643 408 HG22 ILE 54 2HG2 ILE 54 -21.862 12.753 -18.749 409 HG23 ILE 54 3HG2 ILE 54 -20.598 13.652 -17.911 410 HD11 ILE 54 1HD1 ILE 54 -18.869 12.857 -15.469 411 HD12 ILE 54 2HD1 ILE 54 -17.687 12.173 -16.585 412 HD13 ILE 54 3HD1 ILE 54 -18.768 13.458 -17.124 413 H THR 55 H THR 55 -23.026 11.467 -19.802 414 HA THR 55 HA THR 55 -22.140 11.136 -22.590 415 HB THR 55 HB THR 55 -25.040 10.863 -21.872 416 HG1 THR 55 HG1 THR 55 -23.178 8.706 -21.990 417 HG21 THR 55 1HG2 THR 55 -23.344 9.778 -24.126 418 HG22 THR 55 2HG2 THR 55 -24.431 11.164 -24.221 419 HG23 THR 55 3HG2 THR 55 -25.083 9.549 -23.944 420 H GLU 56 H GLU 56 -21.697 13.210 -23.106 421 HA GLU 56 HA GLU 56 -23.202 15.433 -22.159 422 HB2 GLU 56 2HB GLU 56 -21.207 15.206 -24.419 423 HB3 GLU 56 3HB GLU 56 -21.876 16.723 -23.834 424 HG2 GLU 56 2HG GLU 56 -20.766 16.563 -21.789 425 HG3 GLU 56 3HG GLU 56 -20.442 14.843 -21.997 Start of MODEL 2 1 H1 MET 1 H MET 1 -11.828 -1.648 -4.204 2 HA MET 1 HA MET 1 -13.583 -2.486 -6.409 3 HB2 MET 1 2HB MET 1 -14.234 -0.381 -4.337 4 HB3 MET 1 3HB MET 1 -15.228 -0.794 -5.727 5 HG2 MET 1 2HG MET 1 -14.495 -2.919 -3.772 6 HG3 MET 1 3HG MET 1 -15.764 -1.764 -3.369 7 HE1 MET 1 1HE MET 1 -16.563 -4.660 -3.273 8 HE2 MET 1 2HE MET 1 -17.788 -3.392 -3.216 9 HE3 MET 1 3HE MET 1 -17.993 -4.769 -4.300 10 H THR 2 H THR 2 -12.620 -1.718 -8.176 11 HA THR 2 HA THR 2 -11.323 0.910 -8.079 12 HB THR 2 HB THR 2 -10.180 0.321 -10.104 13 HG1 THR 2 HG1 THR 2 -11.716 -2.082 -10.132 14 HG21 THR 2 1HG2 THR 2 -9.033 -1.786 -9.425 15 HG22 THR 2 2HG2 THR 2 -10.249 -1.990 -8.163 16 HG23 THR 2 3HG2 THR 2 -9.163 -0.600 -8.127 17 H PHE 3 H PHE 3 -12.049 2.625 -9.211 18 HA PHE 3 HA PHE 3 -14.487 2.235 -10.813 19 HB2 PHE 3 2HB PHE 3 -13.574 4.437 -9.005 20 HB3 PHE 3 3HB PHE 3 -14.652 4.822 -10.344 21 HD1 PHE 3 HD1 PHE 3 -16.867 4.944 -9.802 22 HD2 PHE 3 HD2 PHE 3 -14.392 2.179 -7.717 23 HE1 PHE 3 HE1 PHE 3 -18.799 4.239 -8.451 24 HE2 PHE 3 HE2 PHE 3 -16.320 1.469 -6.363 25 HZ PHE 3 HZ PHE 3 -18.527 2.498 -6.729 26 H LYS 4 H LYS 4 -14.698 3.256 -12.801 27 HA LYS 4 HA LYS 4 -12.245 4.471 -13.890 28 HB2 LYS 4 2HB LYS 4 -12.472 2.206 -14.764 29 HB3 LYS 4 3HB LYS 4 -14.120 2.546 -15.278 30 HG2 LYS 4 2HG LYS 4 -13.133 4.360 -16.750 31 HG3 LYS 4 3HG LYS 4 -11.560 3.638 -16.401 32 HD2 LYS 4 2HD LYS 4 -13.839 1.980 -17.432 33 HD3 LYS 4 3HD LYS 4 -12.801 2.893 -18.530 34 HE2 LYS 4 2HE LYS 4 -11.516 1.162 -16.481 35 HE3 LYS 4 3HE LYS 4 -12.272 0.386 -17.872 36 HZ1 LYS 4 1HZ LYS 4 -9.778 1.669 -17.728 37 HZ2 LYS 4 2HZ LYS 4 -10.752 2.524 -18.816 38 HZ3 LYS 4 3HZ LYS 4 -10.476 0.871 -19.047 39 H LEU 5 H LEU 5 -12.518 6.423 -14.754 40 HA LEU 5 HA LEU 5 -15.250 7.395 -15.162 41 HB2 LEU 5 2HB LEU 5 -12.720 9.019 -15.172 42 HB3 LEU 5 3HB LEU 5 -14.374 9.596 -14.990 43 HG LEU 5 HG LEU 5 -14.255 8.062 -12.819 44 HD11 LEU 5 1HD1 LEU 5 -11.417 8.683 -13.524 45 HD12 LEU 5 2HD1 LEU 5 -12.116 7.188 -12.902 46 HD13 LEU 5 3HD1 LEU 5 -11.918 8.579 -11.837 47 HD21 LEU 5 1HD2 LEU 5 -13.948 10.845 -13.419 48 HD22 LEU 5 2HD2 LEU 5 -12.958 10.425 -12.021 49 HD23 LEU 5 3HD2 LEU 5 -14.688 10.083 -12.011 50 H ILE 6 H ILE 6 -15.985 7.119 -17.164 51 HA ILE 6 HA ILE 6 -14.145 7.614 -19.412 52 HB ILE 6 HB ILE 6 -16.654 5.934 -19.421 53 HG12 ILE 6 2HG1 ILE 6 -13.764 5.053 -19.572 54 HG13 ILE 6 3HG1 ILE 6 -14.756 4.959 -18.122 55 HG21 ILE 6 1HG2 ILE 6 -16.573 6.281 -21.622 56 HG22 ILE 6 2HG2 ILE 6 -14.982 7.034 -21.524 57 HG23 ILE 6 3HG2 ILE 6 -15.122 5.278 -21.622 58 HD11 ILE 6 1HD1 ILE 6 -15.318 2.923 -18.779 59 HD12 ILE 6 2HD1 ILE 6 -16.258 3.680 -20.065 60 HD13 ILE 6 3HD1 ILE 6 -14.599 3.165 -20.371 61 H ILE 7 H ILE 7 -14.463 9.733 -19.868 62 HA ILE 7 HA ILE 7 -17.096 10.908 -19.871 63 HB ILE 7 HB ILE 7 -14.487 12.073 -20.850 64 HG12 ILE 7 2HG1 ILE 7 -14.933 13.368 -18.559 65 HG13 ILE 7 3HG1 ILE 7 -15.749 11.861 -18.160 66 HG21 ILE 7 1HG2 ILE 7 -15.963 14.192 -20.136 67 HG22 ILE 7 2HG2 ILE 7 -15.952 13.530 -21.770 68 HG23 ILE 7 3HG2 ILE 7 -17.249 13.103 -20.655 69 HD11 ILE 7 1HD1 ILE 7 -13.017 11.701 -19.298 70 HD12 ILE 7 2HD1 ILE 7 -13.201 12.247 -17.631 71 HD13 ILE 7 3HD1 ILE 7 -13.817 10.667 -18.114 72 H ASN 8 H ASN 8 -18.462 10.447 -21.466 73 HA ASN 8 HA ASN 8 -17.563 9.676 -24.084 74 HB2 ASN 8 2HB ASN 8 -19.674 8.868 -22.816 75 HB3 ASN 8 3HB ASN 8 -20.409 10.362 -23.391 76 HD21 ASN 8 1HD2 ASN 8 -20.925 7.499 -23.996 77 HD22 ASN 8 2HD2 ASN 8 -20.853 7.386 -25.719 78 H GLY 9 H GLY 9 -16.415 11.534 -24.782 79 HA2 GLY 9 2HA GLY 9 -18.195 13.723 -25.653 80 HA3 GLY 9 3HA GLY 9 -16.602 14.049 -24.986 81 H LYS 10 H LYS 10 -18.027 14.358 -27.721 82 HA LYS 10 HA LYS 10 -16.600 12.764 -29.571 83 HB2 LYS 10 2HB LYS 10 -18.749 14.220 -29.877 84 HB3 LYS 10 3HB LYS 10 -17.609 15.508 -30.246 85 HG2 LYS 10 2HG LYS 10 -16.969 14.568 -32.219 86 HG3 LYS 10 3HG LYS 10 -17.290 12.921 -31.667 87 HD2 LYS 10 2HD LYS 10 -19.482 14.919 -32.176 88 HD3 LYS 10 3HD LYS 10 -18.857 13.851 -33.434 89 HE2 LYS 10 2HE LYS 10 -19.684 11.950 -32.414 90 HE3 LYS 10 3HE LYS 10 -19.734 12.703 -30.820 91 HZ1 LYS 10 1HZ LYS 10 -21.485 13.683 -32.976 92 HZ2 LYS 10 2HZ LYS 10 -21.694 13.791 -31.302 93 HZ3 LYS 10 3HZ LYS 10 -21.922 12.311 -32.088 94 H THR 11 H THR 11 -15.954 15.880 -28.079 95 HA THR 11 HA THR 11 -13.490 16.161 -29.637 96 HB THR 11 HB THR 11 -14.716 18.109 -27.675 97 HG1 THR 11 HG1 THR 11 -15.967 17.691 -29.630 98 HG21 THR 11 1HG2 THR 11 -12.554 18.495 -29.750 99 HG22 THR 11 2HG2 THR 11 -12.292 18.383 -28.009 100 HG23 THR 11 3HG2 THR 11 -13.206 19.735 -28.678 101 H LEU 12 H LEU 12 -14.639 15.788 -26.325 102 HA LEU 12 HA LEU 12 -11.849 15.434 -25.451 103 HB2 LEU 12 2HB LEU 12 -13.006 17.285 -24.355 104 HB3 LEU 12 3HB LEU 12 -14.280 16.185 -23.833 105 HG LEU 12 HG LEU 12 -11.481 15.629 -22.977 106 HD11 LEU 12 1HD1 LEU 12 -11.663 17.985 -22.522 107 HD12 LEU 12 2HD1 LEU 12 -11.816 17.091 -21.010 108 HD13 LEU 12 3HD1 LEU 12 -13.250 17.760 -21.787 109 HD21 LEU 12 1HD2 LEU 12 -14.206 14.877 -22.247 110 HD22 LEU 12 2HD2 LEU 12 -13.189 15.287 -20.864 111 HD23 LEU 12 3HD2 LEU 12 -12.684 14.024 -21.989 112 H LYS 13 H LYS 13 -11.260 13.603 -24.372 113 HA LYS 13 HA LYS 13 -13.281 11.660 -23.596 114 HB2 LYS 13 2HB LYS 13 -12.570 11.320 -26.062 115 HB3 LYS 13 3HB LYS 13 -11.051 10.741 -25.390 116 HG2 LYS 13 2HG LYS 13 -12.266 8.799 -25.703 117 HG3 LYS 13 3HG LYS 13 -12.522 9.156 -23.994 118 HD2 LYS 13 2HD LYS 13 -14.676 8.722 -24.647 119 HD3 LYS 13 3HD LYS 13 -14.611 10.464 -24.924 120 HE2 LYS 13 2HE LYS 13 -15.506 9.762 -26.912 121 HE3 LYS 13 3HE LYS 13 -13.788 9.726 -27.308 122 HZ1 LYS 13 1HZ LYS 13 -15.530 7.434 -26.607 123 HZ2 LYS 13 2HZ LYS 13 -13.843 7.322 -26.660 124 HZ3 LYS 13 3HZ LYS 13 -14.709 7.705 -28.061 125 H GLY 14 H GLY 14 -12.717 11.384 -21.527 126 HA2 GLY 14 2HA GLY 14 -9.853 11.031 -20.905 127 HA3 GLY 14 3HA GLY 14 -11.056 11.621 -19.768 128 H GLU 15 H GLU 15 -9.126 9.200 -19.999 129 HA GLU 15 HA GLU 15 -11.057 7.289 -18.908 130 HB2 GLU 15 2HB GLU 15 -10.616 6.736 -21.315 131 HB3 GLU 15 3HB GLU 15 -8.926 6.490 -20.895 132 HG2 GLU 15 2HG GLU 15 -9.348 4.554 -19.741 133 HG3 GLU 15 3HG GLU 15 -11.020 4.995 -19.397 134 H THR 16 H THR 16 -10.383 6.420 -17.056 135 HA THR 16 HA THR 16 -7.656 5.786 -16.511 136 HB THR 16 HB THR 16 -7.321 8.096 -16.082 137 HG1 THR 16 HG1 THR 16 -7.053 8.059 -13.736 138 HG21 THR 16 1HG2 THR 16 -10.001 7.940 -14.758 139 HG22 THR 16 2HG2 THR 16 -9.406 9.097 -15.949 140 HG23 THR 16 3HG2 THR 16 -8.853 9.188 -14.277 141 H THR 17 H THR 17 -7.375 4.718 -14.470 142 HA THR 17 HA THR 17 -9.726 4.215 -12.847 143 HB THR 17 HB THR 17 -8.326 1.820 -14.014 144 HG1 THR 17 HG1 THR 17 -9.630 1.864 -15.717 145 HG21 THR 17 1HG2 THR 17 -11.131 2.046 -12.952 146 HG22 THR 17 2HG2 THR 17 -9.752 1.727 -11.899 147 HG23 THR 17 3HG2 THR 17 -10.160 0.594 -13.187 148 H THR 18 H THR 18 -9.248 3.477 -10.795 149 HA THR 18 HA THR 18 -6.643 2.517 -10.081 150 HB THR 18 HB THR 18 -6.055 4.858 -10.221 151 HG1 THR 18 HG1 THR 18 -5.389 5.135 -8.040 152 HG21 THR 18 1HG2 THR 18 -7.181 6.560 -8.872 153 HG22 THR 18 2HG2 THR 18 -8.336 5.355 -8.304 154 HG23 THR 18 3HG2 THR 18 -8.303 5.811 -10.006 155 H GLU 19 H GLU 19 -6.461 2.105 -7.735 156 HA GLU 19 HA GLU 19 -9.020 1.213 -6.700 157 HB2 GLU 19 2HB GLU 19 -6.702 -0.041 -6.688 158 HB3 GLU 19 3HB GLU 19 -6.449 0.875 -5.210 159 HG2 GLU 19 2HG GLU 19 -7.375 -0.975 -4.306 160 HG3 GLU 19 3HG GLU 19 -8.858 -0.088 -4.655 161 H ALA 20 H ALA 20 -9.727 1.656 -4.533 162 HA ALA 20 HA ALA 20 -8.565 4.003 -3.237 163 HB1 ALA 20 1HB ALA 20 -11.351 4.388 -3.095 164 HB2 ALA 20 2HB ALA 20 -10.157 5.388 -3.922 165 HB3 ALA 20 3HB ALA 20 -10.964 4.082 -4.789 166 H VAL 21 H VAL 21 -10.164 4.470 -1.209 167 HA VAL 21 HA VAL 21 -9.707 2.465 0.631 168 HB VAL 21 HB VAL 21 -11.914 4.527 0.713 169 HG11 VAL 21 1HG1 VAL 21 -12.552 3.231 2.458 170 HG12 VAL 21 2HG1 VAL 21 -10.951 2.516 2.655 171 HG13 VAL 21 3HG1 VAL 21 -11.279 4.131 3.283 172 HG21 VAL 21 1HG2 VAL 21 -9.653 5.067 2.398 173 HG22 VAL 21 2HG2 VAL 21 -9.129 4.857 0.727 174 HG23 VAL 21 3HG2 VAL 21 -10.356 6.060 1.122 175 H ASP 22 H ASP 22 -12.779 3.190 -1.025 176 HA ASP 22 HA ASP 22 -13.471 0.415 -1.160 177 HB2 ASP 22 2HB ASP 22 -14.066 1.403 1.245 178 HB3 ASP 22 3HB ASP 22 -15.492 1.969 0.380 179 H ALA 23 H ALA 23 -16.002 0.348 -1.786 180 HA ALA 23 HA ALA 23 -16.167 1.705 -4.270 181 HB1 ALA 23 1HB ALA 23 -17.476 -0.063 -4.593 182 HB2 ALA 23 2HB ALA 23 -17.658 -0.331 -2.858 183 HB3 ALA 23 3HB ALA 23 -18.727 0.797 -3.693 184 H ALA 24 H ALA 24 -17.883 2.117 -1.186 185 HA ALA 24 HA ALA 24 -19.448 4.322 -2.111 186 HB1 ALA 24 1HB ALA 24 -18.872 3.546 0.742 187 HB2 ALA 24 2HB ALA 24 -20.221 4.513 0.145 188 HB3 ALA 24 3HB ALA 24 -20.119 2.800 -0.257 189 H THR 25 H THR 25 -16.278 3.965 -0.793 190 HA THR 25 HA THR 25 -16.043 6.734 0.016 191 HB THR 25 HB THR 25 -13.664 4.948 -0.285 192 HG1 THR 25 HG1 THR 25 -15.794 4.633 1.544 193 HG21 THR 25 1HG2 THR 25 -12.726 6.274 1.330 194 HG22 THR 25 2HG2 THR 25 -14.272 6.606 2.111 195 HG23 THR 25 3HG2 THR 25 -13.844 7.434 0.615 196 H ALA 26 H ALA 26 -15.135 4.709 -2.698 197 HA ALA 26 HA ALA 26 -13.509 6.759 -3.925 198 HB1 ALA 26 1HB ALA 26 -13.228 4.195 -4.112 199 HB2 ALA 26 2HB ALA 26 -14.479 4.313 -5.350 200 HB3 ALA 26 3HB ALA 26 -12.962 5.192 -5.543 201 H GLU 27 H GLU 27 -16.787 5.565 -4.148 202 HA GLU 27 HA GLU 27 -17.456 6.784 -6.617 203 HB2 GLU 27 2HB GLU 27 -19.709 6.236 -6.116 204 HB3 GLU 27 3HB GLU 27 -18.731 4.939 -5.443 205 HG2 GLU 27 2HG GLU 27 -18.936 5.901 -3.226 206 HG3 GLU 27 3HG GLU 27 -19.861 7.250 -3.882 207 H LYS 28 H LYS 28 -17.412 7.903 -3.305 208 HA LYS 28 HA LYS 28 -18.870 10.322 -3.850 209 HB2 LYS 28 2HB LYS 28 -18.210 10.949 -1.544 210 HB3 LYS 28 3HB LYS 28 -18.977 9.369 -1.629 211 HG2 LYS 28 2HG LYS 28 -16.804 8.286 -1.488 212 HG3 LYS 28 3HG LYS 28 -16.012 9.863 -1.446 213 HD2 LYS 28 2HD LYS 28 -17.708 10.196 0.589 214 HD3 LYS 28 3HD LYS 28 -17.540 8.440 0.658 215 HE2 LYS 28 2HE LYS 28 -15.778 8.981 1.976 216 HE3 LYS 28 3HE LYS 28 -14.965 9.095 0.416 217 HZ1 LYS 28 1HZ LYS 28 -14.888 11.030 2.199 218 HZ2 LYS 28 2HZ LYS 28 -16.297 11.499 1.391 219 HZ3 LYS 28 3HZ LYS 28 -14.846 11.336 0.536 220 H VAL 29 H VAL 29 -15.552 9.307 -3.901 221 HA VAL 29 HA VAL 29 -14.499 12.002 -3.929 222 HB VAL 29 HB VAL 29 -13.120 9.362 -4.440 223 HG11 VAL 29 1HG1 VAL 29 -11.364 10.528 -5.132 224 HG12 VAL 29 2HG1 VAL 29 -12.259 12.035 -4.922 225 HG13 VAL 29 3HG1 VAL 29 -11.322 11.371 -3.583 226 HG21 VAL 29 1HG2 VAL 29 -12.461 9.346 -2.213 227 HG22 VAL 29 2HG2 VAL 29 -12.805 11.061 -1.993 228 HG23 VAL 29 3HG2 VAL 29 -14.132 9.906 -2.122 229 H PHE 30 H PHE 30 -14.827 9.319 -6.236 230 HA PHE 30 HA PHE 30 -13.650 10.542 -8.444 231 HB2 PHE 30 2HB PHE 30 -15.680 8.372 -8.098 232 HB3 PHE 30 3HB PHE 30 -15.378 9.004 -9.713 233 HD1 PHE 30 HD1 PHE 30 -13.135 8.255 -6.829 234 HD2 PHE 30 HD2 PHE 30 -14.114 7.505 -10.903 235 HE1 PHE 30 HE1 PHE 30 -11.167 6.793 -7.029 236 HE2 PHE 30 HE2 PHE 30 -12.147 6.041 -11.109 237 HZ PHE 30 HZ PHE 30 -10.672 5.682 -9.170 238 H LYS 31 H LYS 31 -16.722 11.081 -6.959 239 HA LYS 31 HA LYS 31 -18.119 12.207 -9.126 240 HB2 LYS 31 2HB LYS 31 -18.340 12.515 -6.142 241 HB3 LYS 31 3HB LYS 31 -19.370 13.439 -7.228 242 HG2 LYS 31 2HG LYS 31 -19.257 10.538 -7.727 243 HG3 LYS 31 3HG LYS 31 -20.026 11.039 -6.219 244 HD2 LYS 31 2HD LYS 31 -21.757 12.069 -7.286 245 HD3 LYS 31 3HD LYS 31 -20.779 12.499 -8.691 246 HE2 LYS 31 2HE LYS 31 -21.675 9.693 -8.049 247 HE3 LYS 31 3HE LYS 31 -22.545 10.781 -9.129 248 HZ1 LYS 31 1HZ LYS 31 -19.972 9.436 -9.524 249 HZ2 LYS 31 2HZ LYS 31 -20.209 10.940 -10.260 250 HZ3 LYS 31 3HZ LYS 31 -21.251 9.653 -10.609 251 H GLN 32 H GLN 32 -15.860 13.584 -6.801 252 HA GLN 32 HA GLN 32 -16.214 16.258 -7.875 253 HB2 GLN 32 2HB GLN 32 -15.728 15.565 -5.397 254 HB3 GLN 32 3HB GLN 32 -14.055 15.513 -5.936 255 HG2 GLN 32 2HG GLN 32 -13.948 17.777 -6.282 256 HG3 GLN 32 3HG GLN 32 -15.689 17.933 -6.517 257 HE21 GLN 32 1HE2 GLN 32 -16.771 16.845 -4.346 258 HE22 GLN 32 2HE2 GLN 32 -16.274 17.672 -2.912 259 H TYR 33 H TYR 33 -14.173 13.537 -8.338 260 HA TYR 33 HA TYR 33 -11.783 14.622 -9.170 261 HB2 TYR 33 2HB TYR 33 -13.228 12.126 -9.618 262 HB3 TYR 33 3HB TYR 33 -12.190 12.561 -10.971 263 HD1 TYR 33 HD1 TYR 33 -10.317 11.203 -10.868 264 HD2 TYR 33 HD2 TYR 33 -11.745 13.013 -7.292 265 HE1 TYR 33 HE1 TYR 33 -8.364 10.330 -9.653 266 HE2 TYR 33 HE2 TYR 33 -9.795 12.146 -6.068 267 HH TYR 33 HH TYR 33 -7.113 11.265 -7.267 268 H PHE 34 H PHE 34 -14.519 13.798 -11.307 269 HA PHE 34 HA PHE 34 -13.400 15.224 -13.520 270 HB2 PHE 34 2HB PHE 34 -15.320 14.552 -14.735 271 HB3 PHE 34 3HB PHE 34 -14.962 13.216 -13.644 272 HD1 PHE 34 HD1 PHE 34 -17.264 15.961 -14.388 273 HD2 PHE 34 HD2 PHE 34 -16.434 12.670 -11.820 274 HE1 PHE 34 HE1 PHE 34 -19.560 16.072 -13.509 275 HE2 PHE 34 HE2 PHE 34 -18.728 12.774 -10.938 276 HZ PHE 34 HZ PHE 34 -20.295 14.477 -11.784 277 H ASN 35 H ASN 35 -15.439 16.038 -10.866 278 HA ASN 35 HA ASN 35 -16.940 18.145 -11.824 279 HB2 ASN 35 2HB ASN 35 -17.012 17.172 -9.502 280 HB3 ASN 35 3HB ASN 35 -15.570 18.113 -9.130 281 HD21 ASN 35 1HD2 ASN 35 -18.728 18.633 -10.669 282 HD22 ASN 35 2HD2 ASN 35 -19.076 20.108 -9.840 283 H ASP 36 H ASP 36 -13.582 18.177 -10.690 284 HA ASP 36 HA ASP 36 -13.120 20.922 -10.842 285 HB2 ASP 36 2HB ASP 36 -11.280 18.556 -11.181 286 HB3 ASP 36 3HB ASP 36 -10.695 20.217 -11.219 287 H ASN 37 H ASN 37 -13.274 18.499 -13.340 288 HA ASN 37 HA ASN 37 -12.006 20.044 -15.374 289 HB2 ASN 37 2HB ASN 37 -12.326 17.509 -15.334 290 HB3 ASN 37 3HB ASN 37 -13.986 17.814 -15.835 291 HD21 ASN 37 1HD2 ASN 37 -10.812 17.381 -16.843 292 HD22 ASN 37 2HD2 ASN 37 -11.011 17.825 -18.501 293 H GLY 38 H GLY 38 -15.108 20.097 -13.946 294 HA2 GLY 38 2HA GLY 38 -16.930 21.444 -14.329 295 HA3 GLY 38 3HA GLY 38 -15.927 22.354 -15.449 296 H ILE 39 H ILE 39 -16.851 18.938 -15.596 297 HA ILE 39 HA ILE 39 -17.689 19.264 -18.338 298 HB ILE 39 HB ILE 39 -17.784 16.823 -16.563 299 HG12 ILE 39 2HG1 ILE 39 -15.831 17.368 -18.788 300 HG13 ILE 39 3HG1 ILE 39 -15.514 17.897 -17.140 301 HG21 ILE 39 1HG2 ILE 39 -17.684 15.907 -19.117 302 HG22 ILE 39 2HG2 ILE 39 -19.162 16.078 -18.171 303 HG23 ILE 39 3HG2 ILE 39 -18.688 17.345 -19.303 304 HD11 ILE 39 1HD1 ILE 39 -15.311 15.731 -16.353 305 HD12 ILE 39 2HD1 ILE 39 -16.189 15.045 -17.721 306 HD13 ILE 39 3HD1 ILE 39 -14.549 15.655 -17.942 307 H ASP 40 H ASP 40 -19.715 19.390 -19.105 308 HA ASP 40 HA ASP 40 -21.912 19.257 -17.148 309 HB2 ASP 40 2HB ASP 40 -21.466 21.474 -18.261 310 HB3 ASP 40 3HB ASP 40 -21.921 20.727 -19.789 311 H GLY 41 H GLY 41 -23.587 17.899 -17.478 312 HA2 GLY 41 2HA GLY 41 -24.794 16.966 -19.674 313 HA3 GLY 41 3HA GLY 41 -23.336 15.984 -19.649 314 H GLU 42 H GLU 42 -24.468 14.064 -19.331 315 HA GLU 42 HA GLU 42 -26.048 13.821 -16.880 316 HB2 GLU 42 2HB GLU 42 -26.913 12.947 -19.078 317 HB3 GLU 42 3HB GLU 42 -25.629 11.748 -19.035 318 HG2 GLU 42 2HG GLU 42 -26.535 10.894 -16.910 319 HG3 GLU 42 3HG GLU 42 -27.857 12.054 -17.034 320 H TRP 43 H TRP 43 -24.619 13.665 -15.217 321 HA TRP 43 HA TRP 43 -22.433 11.729 -15.412 322 HB2 TRP 43 2HB TRP 43 -21.693 12.737 -13.244 323 HB3 TRP 43 3HB TRP 43 -21.771 13.886 -14.575 324 HD1 TRP 43 HD1 TRP 43 -23.634 15.794 -14.448 325 HE1 TRP 43 HE1 TRP 43 -25.038 16.707 -12.493 326 HE3 TRP 43 HE3 TRP 43 -22.870 12.030 -11.075 327 HZ2 TRP 43 HZ2 TRP 43 -25.729 15.933 -9.867 328 HZ3 TRP 43 HZ3 TRP 43 -23.936 12.192 -8.865 329 HH2 TRP 43 HH2 TRP 43 -25.335 14.105 -8.275 330 H THR 44 H THR 44 -22.580 9.773 -14.542 331 HA THR 44 HA THR 44 -24.052 9.287 -12.118 332 HB THR 44 HB THR 44 -24.968 7.539 -14.347 333 HG1 THR 44 HG1 THR 44 -26.384 9.924 -13.829 334 HG21 THR 44 1HG2 THR 44 -27.068 7.624 -12.988 335 HG22 THR 44 2HG2 THR 44 -26.212 8.641 -11.828 336 HG23 THR 44 3HG2 THR 44 -25.671 6.988 -12.120 337 H TYR 45 H TYR 45 -23.716 7.146 -11.275 338 HA TYR 45 HA TYR 45 -21.321 5.869 -12.411 339 HB2 TYR 45 2HB TYR 45 -21.018 4.948 -10.081 340 HB3 TYR 45 3HB TYR 45 -20.846 6.694 -10.223 341 HD1 TYR 45 HD1 TYR 45 -22.578 8.190 -9.329 342 HD2 TYR 45 HD2 TYR 45 -22.824 3.972 -8.827 343 HE1 TYR 45 HE1 TYR 45 -24.270 8.503 -7.572 344 HE2 TYR 45 HE2 TYR 45 -24.517 4.273 -7.070 345 HH TYR 45 HH TYR 45 -26.168 5.968 -6.376 346 H ASP 46 H ASP 46 -21.536 3.914 -13.261 347 HA ASP 46 HA ASP 46 -24.038 2.514 -13.119 348 HB2 ASP 46 2HB ASP 46 -21.402 1.916 -14.457 349 HB3 ASP 46 3HB ASP 46 -22.756 0.790 -14.501 350 H ASP 47 H ASP 47 -24.597 1.276 -11.465 351 HA ASP 47 HA ASP 47 -22.778 0.352 -9.503 352 HB2 ASP 47 2HB ASP 47 -25.056 0.764 -8.870 353 HB3 ASP 47 3HB ASP 47 -25.655 -0.370 -10.078 354 H ALA 48 H ALA 48 -23.864 -0.950 -12.501 355 HA ALA 48 HA ALA 48 -23.626 -3.675 -12.156 356 HB1 ALA 48 1HB ALA 48 -24.427 -2.938 -14.229 357 HB2 ALA 48 2HB ALA 48 -23.017 -1.915 -14.510 358 HB3 ALA 48 3HB ALA 48 -22.864 -3.670 -14.593 359 H THR 49 H THR 49 -21.032 -1.704 -13.603 360 HA THR 49 HA THR 49 -19.085 -3.519 -12.338 361 HB THR 49 HB THR 49 -17.550 -3.035 -14.160 362 HG1 THR 49 HG1 THR 49 -17.900 -1.441 -15.526 363 HG21 THR 49 1HG2 THR 49 -20.313 -3.910 -14.973 364 HG22 THR 49 2HG2 THR 49 -18.910 -4.914 -14.606 365 HG23 THR 49 3HG2 THR 49 -18.944 -3.952 -16.083 366 H LYS 50 H LYS 50 -20.319 -0.962 -11.339 367 HA LYS 50 HA LYS 50 -19.706 0.955 -10.269 368 HB2 LYS 50 2HB LYS 50 -17.069 -0.503 -10.021 369 HB3 LYS 50 3HB LYS 50 -17.591 0.856 -9.035 370 HG2 LYS 50 2HG LYS 50 -19.217 -1.651 -9.140 371 HG3 LYS 50 3HG LYS 50 -17.798 -1.538 -8.098 372 HD2 LYS 50 2HD LYS 50 -18.743 0.104 -6.769 373 HD3 LYS 50 3HD LYS 50 -19.875 0.612 -8.026 374 HE2 LYS 50 2HE LYS 50 -21.153 -0.525 -6.389 375 HE3 LYS 50 3HE LYS 50 -20.998 -1.627 -7.756 376 HZ1 LYS 50 1HZ LYS 50 -20.257 -3.107 -6.298 377 HZ2 LYS 50 2HZ LYS 50 -20.121 -1.957 -5.067 378 HZ3 LYS 50 3HZ LYS 50 -18.846 -2.184 -6.155 379 H THR 51 H THR 51 -19.304 0.848 -13.163 380 HA THR 51 HA THR 51 -16.928 2.497 -13.576 381 HB THR 51 HB THR 51 -18.902 1.376 -15.576 382 HG1 THR 51 HG1 THR 51 -16.283 0.597 -14.774 383 HG21 THR 51 1HG2 THR 51 -18.080 3.089 -16.819 384 HG22 THR 51 2HG2 THR 51 -16.724 1.980 -17.031 385 HG23 THR 51 3HG2 THR 51 -16.636 3.262 -15.823 386 H PHE 52 H PHE 52 -16.974 4.634 -13.986 387 HA PHE 52 HA PHE 52 -19.581 5.964 -13.845 388 HB2 PHE 52 2HB PHE 52 -17.992 6.732 -12.201 389 HB3 PHE 52 3HB PHE 52 -16.771 7.002 -13.440 390 HD1 PHE 52 HD1 PHE 52 -16.499 9.118 -14.305 391 HD2 PHE 52 HD2 PHE 52 -20.206 8.083 -12.488 392 HE1 PHE 52 HE1 PHE 52 -17.267 11.442 -14.557 393 HE2 PHE 52 HE2 PHE 52 -20.980 10.405 -12.737 394 HZ PHE 52 HZ PHE 52 -19.511 12.088 -13.774 395 H THR 53 H THR 53 -20.485 6.743 -15.621 396 HA THR 53 HA THR 53 -18.751 7.549 -17.860 397 HB THR 53 HB THR 53 -21.401 6.123 -18.152 398 HG1 THR 53 HG1 THR 53 -20.076 4.493 -17.683 399 HG21 THR 53 1HG2 THR 53 -21.026 7.605 -20.002 400 HG22 THR 53 2HG2 THR 53 -20.679 5.962 -20.542 401 HG23 THR 53 3HG2 THR 53 -19.356 7.063 -20.162 402 H ILE 54 H ILE 54 -19.256 9.437 -18.845 403 HA ILE 54 HA ILE 54 -21.634 10.860 -17.845 404 HB ILE 54 HB ILE 54 -19.045 12.038 -18.860 405 HG12 ILE 54 2HG1 ILE 54 -20.184 12.001 -16.057 406 HG13 ILE 54 3HG1 ILE 54 -18.898 10.941 -16.626 407 HG21 ILE 54 1HG2 ILE 54 -20.521 13.956 -17.463 408 HG22 ILE 54 2HG2 ILE 54 -20.219 13.892 -19.198 409 HG23 ILE 54 3HG2 ILE 54 -21.675 13.154 -18.529 410 HD11 ILE 54 1HD1 ILE 54 -18.257 13.031 -15.302 411 HD12 ILE 54 2HD1 ILE 54 -17.373 12.690 -16.790 412 HD13 ILE 54 3HD1 ILE 54 -18.637 13.918 -16.778 413 H THR 55 H THR 55 -23.078 11.660 -19.262 414 HA THR 55 HA THR 55 -22.482 11.325 -22.129 415 HB THR 55 HB THR 55 -25.300 11.490 -21.167 416 HG1 THR 55 HG1 THR 55 -23.552 9.285 -20.812 417 HG21 THR 55 1HG2 THR 55 -25.097 11.368 -23.504 418 HG22 THR 55 2HG2 THR 55 -25.480 9.719 -23.012 419 HG23 THR 55 3HG2 THR 55 -23.820 10.156 -23.416 420 H GLU 56 H GLU 56 -21.814 13.325 -22.736 421 HA GLU 56 HA GLU 56 -22.920 15.745 -21.754 422 HB2 GLU 56 2HB GLU 56 -21.198 15.111 -24.146 423 HB3 GLU 56 3HB GLU 56 -21.709 16.747 -23.756 424 HG2 GLU 56 2HG GLU 56 -20.595 16.582 -21.591 425 HG3 GLU 56 3HG GLU 56 -20.083 14.941 -21.978 Start of MODEL 3 1 H1 MET 1 H MET 1 -12.196 -2.196 -4.220 2 HA MET 1 HA MET 1 -13.507 -2.826 -6.778 3 HB2 MET 1 2HB MET 1 -14.463 -0.933 -4.626 4 HB3 MET 1 3HB MET 1 -15.358 -1.456 -6.046 5 HG2 MET 1 2HG MET 1 -15.400 -3.736 -5.193 6 HG3 MET 1 3HG MET 1 -14.484 -3.226 -3.777 7 HE1 MET 1 1HE MET 1 -16.052 -4.495 -2.596 8 HE2 MET 1 2HE MET 1 -16.532 -3.258 -1.433 9 HE3 MET 1 3HE MET 1 -17.762 -4.162 -2.319 10 H THR 2 H THR 2 -12.309 -1.865 -8.326 11 HA THR 2 HA THR 2 -11.286 0.833 -7.922 12 HB THR 2 HB THR 2 -10.053 0.546 -9.954 13 HG1 THR 2 HG1 THR 2 -10.621 -0.850 -11.473 14 HG21 THR 2 1HG2 THR 2 -9.631 -0.978 -7.762 15 HG22 THR 2 2HG2 THR 2 -8.563 -0.964 -9.166 16 HG23 THR 2 3HG2 THR 2 -9.780 -2.229 -8.995 17 H PHE 3 H PHE 3 -11.958 2.628 -9.017 18 HA PHE 3 HA PHE 3 -14.468 2.347 -10.521 19 HB2 PHE 3 2HB PHE 3 -13.353 4.460 -8.739 20 HB3 PHE 3 3HB PHE 3 -14.400 4.970 -10.059 21 HD1 PHE 3 HD1 PHE 3 -14.430 2.124 -7.641 22 HD2 PHE 3 HD2 PHE 3 -16.526 5.414 -9.344 23 HE1 PHE 3 HE1 PHE 3 -16.404 1.563 -6.285 24 HE2 PHE 3 HE2 PHE 3 -18.503 4.859 -7.989 25 HZ PHE 3 HZ PHE 3 -18.444 2.932 -6.457 26 H LYS 4 H LYS 4 -14.714 3.219 -12.540 27 HA LYS 4 HA LYS 4 -12.279 4.315 -13.791 28 HB2 LYS 4 2HB LYS 4 -12.723 2.103 -14.664 29 HB3 LYS 4 3HB LYS 4 -14.401 2.525 -14.986 30 HG2 LYS 4 2HG LYS 4 -13.890 3.721 -16.858 31 HG3 LYS 4 3HG LYS 4 -12.277 4.146 -16.281 32 HD2 LYS 4 2HD LYS 4 -12.050 2.603 -18.105 33 HD3 LYS 4 3HD LYS 4 -11.600 1.774 -16.614 34 HE2 LYS 4 2HE LYS 4 -13.541 0.499 -16.589 35 HE3 LYS 4 3HE LYS 4 -14.404 1.615 -17.646 36 HZ1 LYS 4 1HZ LYS 4 -12.518 0.873 -19.302 37 HZ2 LYS 4 2HZ LYS 4 -13.938 -0.028 -19.118 38 HZ3 LYS 4 3HZ LYS 4 -12.521 -0.512 -18.331 39 H LEU 5 H LEU 5 -12.523 6.410 -14.180 40 HA LEU 5 HA LEU 5 -15.171 7.536 -14.588 41 HB2 LEU 5 2HB LEU 5 -13.014 8.461 -13.266 42 HB3 LEU 5 3HB LEU 5 -12.780 9.249 -14.826 43 HG LEU 5 HG LEU 5 -15.255 9.497 -13.116 44 HD11 LEU 5 1HD1 LEU 5 -14.410 11.351 -12.154 45 HD12 LEU 5 2HD1 LEU 5 -13.492 11.811 -13.586 46 HD13 LEU 5 3HD1 LEU 5 -12.866 10.571 -12.499 47 HD21 LEU 5 1HD2 LEU 5 -14.436 10.582 -15.776 48 HD22 LEU 5 2HD2 LEU 5 -15.495 11.528 -14.728 49 HD23 LEU 5 3HD2 LEU 5 -15.987 9.920 -15.262 50 H ILE 6 H ILE 6 -16.006 7.555 -16.561 51 HA ILE 6 HA ILE 6 -14.193 7.924 -18.855 52 HB ILE 6 HB ILE 6 -16.913 6.611 -18.835 53 HG12 ILE 6 2HG1 ILE 6 -15.168 5.272 -17.705 54 HG13 ILE 6 3HG1 ILE 6 -15.716 4.521 -19.199 55 HG21 ILE 6 1HG2 ILE 6 -16.357 5.963 -21.142 56 HG22 ILE 6 2HG2 ILE 6 -16.454 7.712 -20.943 57 HG23 ILE 6 3HG2 ILE 6 -14.881 6.922 -21.039 58 HD11 ILE 6 1HD1 ILE 6 -13.207 6.157 -18.931 59 HD12 ILE 6 2HD1 ILE 6 -13.279 4.395 -18.869 60 HD13 ILE 6 3HD1 ILE 6 -13.736 5.245 -20.345 61 H ILE 7 H ILE 7 -14.496 9.613 -20.181 62 HA ILE 7 HA ILE 7 -16.822 11.343 -19.662 63 HB ILE 7 HB ILE 7 -14.141 12.123 -20.815 64 HG12 ILE 7 2HG1 ILE 7 -14.244 13.490 -18.535 65 HG13 ILE 7 3HG1 ILE 7 -15.267 12.141 -18.053 66 HG21 ILE 7 1HG2 ILE 7 -16.524 13.793 -20.027 67 HG22 ILE 7 2HG2 ILE 7 -14.956 14.425 -20.526 68 HG23 ILE 7 3HG2 ILE 7 -15.939 13.508 -21.666 69 HD11 ILE 7 1HD1 ILE 7 -12.582 11.669 -19.277 70 HD12 ILE 7 2HD1 ILE 7 -12.756 12.025 -17.558 71 HD13 ILE 7 3HD1 ILE 7 -13.542 10.606 -18.249 72 H ASN 8 H ASN 8 -18.319 10.786 -21.144 73 HA ASN 8 HA ASN 8 -17.632 10.064 -23.835 74 HB2 ASN 8 2HB ASN 8 -19.687 9.335 -22.367 75 HB3 ASN 8 3HB ASN 8 -20.417 10.801 -23.013 76 HD21 ASN 8 1HD2 ASN 8 -21.193 8.053 -23.439 77 HD22 ASN 8 2HD2 ASN 8 -21.106 7.775 -25.143 78 H GLY 9 H GLY 9 -16.476 11.959 -24.501 79 HA2 GLY 9 2HA GLY 9 -18.291 14.161 -25.264 80 HA3 GLY 9 3HA GLY 9 -16.679 14.477 -24.641 81 H LYS 10 H LYS 10 -18.379 14.504 -27.373 82 HA LYS 10 HA LYS 10 -16.919 13.070 -29.263 83 HB2 LYS 10 2HB LYS 10 -19.119 14.531 -29.435 84 HB3 LYS 10 3HB LYS 10 -17.988 15.766 -29.971 85 HG2 LYS 10 2HG LYS 10 -17.321 14.482 -31.838 86 HG3 LYS 10 3HG LYS 10 -18.123 13.037 -31.219 87 HD2 LYS 10 2HD LYS 10 -20.272 14.491 -31.347 88 HD3 LYS 10 3HD LYS 10 -19.320 15.491 -32.447 89 HE2 LYS 10 2HE LYS 10 -19.172 13.829 -34.040 90 HE3 LYS 10 3HE LYS 10 -19.429 12.538 -32.867 91 HZ1 LYS 10 1HZ LYS 10 -21.461 14.399 -33.961 92 HZ2 LYS 10 2HZ LYS 10 -21.754 13.364 -32.657 93 HZ3 LYS 10 3HZ LYS 10 -21.380 12.723 -34.177 94 H THR 11 H THR 11 -16.157 16.002 -27.586 95 HA THR 11 HA THR 11 -13.854 16.479 -29.346 96 HB THR 11 HB THR 11 -15.009 18.273 -27.202 97 HG1 THR 11 HG1 THR 11 -15.079 18.767 -29.984 98 HG21 THR 11 1HG2 THR 11 -13.419 19.651 -29.116 99 HG22 THR 11 2HG2 THR 11 -12.481 18.291 -28.499 100 HG23 THR 11 3HG2 THR 11 -13.148 19.481 -27.383 101 H LEU 12 H LEU 12 -14.764 15.776 -26.027 102 HA LEU 12 HA LEU 12 -11.911 15.478 -25.356 103 HB2 LEU 12 2HB LEU 12 -13.177 17.204 -24.077 104 HB3 LEU 12 3HB LEU 12 -14.205 15.916 -23.452 105 HG LEU 12 HG LEU 12 -11.263 15.717 -23.027 106 HD11 LEU 12 1HD1 LEU 12 -11.543 17.026 -20.921 107 HD12 LEU 12 2HD1 LEU 12 -13.104 17.572 -21.531 108 HD13 LEU 12 3HD1 LEU 12 -11.625 17.989 -22.396 109 HD21 LEU 12 1HD2 LEU 12 -11.901 14.068 -21.686 110 HD22 LEU 12 2HD2 LEU 12 -13.566 14.331 -22.205 111 HD23 LEU 12 3HD2 LEU 12 -12.945 15.160 -20.777 112 H LYS 13 H LYS 13 -11.227 13.466 -25.103 113 HA LYS 13 HA LYS 13 -13.106 11.437 -24.106 114 HB2 LYS 13 2HB LYS 13 -11.498 11.404 -26.611 115 HB3 LYS 13 3HB LYS 13 -11.644 9.895 -25.720 116 HG2 LYS 13 2HG LYS 13 -13.964 11.564 -26.668 117 HG3 LYS 13 3HG LYS 13 -13.332 10.137 -27.492 118 HD2 LYS 13 2HD LYS 13 -13.715 8.975 -25.194 119 HD3 LYS 13 3HD LYS 13 -14.799 10.335 -24.892 120 HE2 LYS 13 2HE LYS 13 -16.069 9.789 -26.890 121 HE3 LYS 13 3HE LYS 13 -14.957 8.474 -27.261 122 HZ1 LYS 13 1HZ LYS 13 -15.760 7.944 -24.718 123 HZ2 LYS 13 2HZ LYS 13 -16.358 7.203 -26.116 124 HZ3 LYS 13 3HZ LYS 13 -17.172 8.526 -25.447 125 H GLY 14 H GLY 14 -12.318 10.916 -22.164 126 HA2 GLY 14 2HA GLY 14 -9.529 10.029 -22.012 127 HA3 GLY 14 3HA GLY 14 -10.059 11.273 -20.889 128 H GLU 15 H GLU 15 -9.052 8.661 -20.230 129 HA GLU 15 HA GLU 15 -11.316 7.745 -18.628 130 HB2 GLU 15 2HB GLU 15 -9.593 5.758 -20.100 131 HB3 GLU 15 3HB GLU 15 -11.081 5.455 -19.214 132 HG2 GLU 15 2HG GLU 15 -11.842 5.368 -21.361 133 HG3 GLU 15 3HG GLU 15 -12.116 7.070 -20.990 134 H THR 16 H THR 16 -10.753 7.273 -16.592 135 HA THR 16 HA THR 16 -7.939 6.694 -15.989 136 HB THR 16 HB THR 16 -7.970 8.203 -14.062 137 HG1 THR 16 HG1 THR 16 -10.577 8.812 -15.020 138 HG21 THR 16 1HG2 THR 16 -8.781 10.197 -15.990 139 HG22 THR 16 2HG2 THR 16 -7.795 8.947 -16.746 140 HG23 THR 16 3HG2 THR 16 -7.175 9.838 -15.357 141 H THR 17 H THR 17 -7.622 5.217 -14.402 142 HA THR 17 HA THR 17 -9.916 4.406 -12.761 143 HB THR 17 HB THR 17 -8.118 2.343 -14.021 144 HG1 THR 17 HG1 THR 17 -10.403 3.618 -15.066 145 HG21 THR 17 1HG2 THR 17 -9.385 1.666 -12.040 146 HG22 THR 17 2HG2 THR 17 -9.980 0.840 -13.481 147 HG23 THR 17 3HG2 THR 17 -10.880 2.198 -12.807 148 H THR 18 H THR 18 -9.390 3.462 -10.769 149 HA THR 18 HA THR 18 -6.675 2.967 -10.001 150 HB THR 18 HB THR 18 -6.719 5.447 -9.912 151 HG1 THR 18 HG1 THR 18 -5.504 5.354 -8.160 152 HG21 THR 18 1HG2 THR 18 -8.508 6.516 -9.127 153 HG22 THR 18 2HG2 THR 18 -8.201 5.836 -7.528 154 HG23 THR 18 3HG2 THR 18 -9.243 4.981 -8.666 155 H GLU 19 H GLU 19 -6.493 2.218 -7.780 156 HA GLU 19 HA GLU 19 -8.802 0.699 -7.001 157 HB2 GLU 19 2HB GLU 19 -5.957 0.869 -6.145 158 HB3 GLU 19 3HB GLU 19 -7.114 0.220 -4.992 159 HG2 GLU 19 2HG GLU 19 -6.266 -1.642 -6.114 160 HG3 GLU 19 3HG GLU 19 -7.847 -1.356 -6.839 161 H ALA 20 H ALA 20 -10.031 0.898 -5.151 162 HA ALA 20 HA ALA 20 -9.633 3.355 -3.576 163 HB1 ALA 20 1HB ALA 20 -12.261 2.222 -4.527 164 HB2 ALA 20 2HB ALA 20 -12.073 3.605 -3.449 165 HB3 ALA 20 3HB ALA 20 -11.484 3.694 -5.109 166 H VAL 21 H VAL 21 -11.208 3.207 -1.557 167 HA VAL 21 HA VAL 21 -10.479 0.716 -0.206 168 HB VAL 21 HB VAL 21 -9.874 2.908 0.828 169 HG11 VAL 21 1HG1 VAL 21 -11.416 4.445 1.547 170 HG12 VAL 21 2HG1 VAL 21 -12.214 3.851 0.089 171 HG13 VAL 21 3HG1 VAL 21 -12.709 3.252 1.673 172 HG21 VAL 21 1HG2 VAL 21 -10.932 0.600 2.022 173 HG22 VAL 21 2HG2 VAL 21 -9.860 1.794 2.752 174 HG23 VAL 21 3HG2 VAL 21 -11.607 1.965 2.912 175 H ASP 22 H ASP 22 -13.259 2.584 -1.198 176 HA ASP 22 HA ASP 22 -14.980 0.311 -0.729 177 HB2 ASP 22 2HB ASP 22 -15.326 2.902 0.778 178 HB3 ASP 22 3HB ASP 22 -16.648 1.764 0.535 179 H ALA 23 H ALA 23 -17.158 0.646 -1.628 180 HA ALA 23 HA ALA 23 -17.038 1.838 -4.184 181 HB1 ALA 23 1HB ALA 23 -19.582 1.406 -4.106 182 HB2 ALA 23 2HB ALA 23 -18.484 0.026 -4.041 183 HB3 ALA 23 3HB ALA 23 -19.241 0.620 -2.563 184 H ALA 24 H ALA 24 -18.382 2.908 -1.111 185 HA ALA 24 HA ALA 24 -19.621 5.248 -2.250 186 HB1 ALA 24 1HB ALA 24 -19.118 4.985 0.674 187 HB2 ALA 24 2HB ALA 24 -20.522 5.631 -0.177 188 HB3 ALA 24 3HB ALA 24 -20.263 3.889 -0.100 189 H THR 25 H THR 25 -16.578 4.431 -0.772 190 HA THR 25 HA THR 25 -15.773 7.128 -0.235 191 HB THR 25 HB THR 25 -14.093 4.621 -0.438 192 HG1 THR 25 HG1 THR 25 -15.847 4.928 1.269 193 HG21 THR 25 1HG2 THR 25 -13.418 7.423 -0.022 194 HG22 THR 25 2HG2 THR 25 -12.370 6.049 -0.377 195 HG23 THR 25 3HG2 THR 25 -12.854 6.385 1.286 196 H ALA 26 H ALA 26 -15.486 4.911 -2.921 197 HA ALA 26 HA ALA 26 -13.547 6.528 -4.322 198 HB1 ALA 26 1HB ALA 26 -13.338 4.795 -5.757 199 HB2 ALA 26 2HB ALA 26 -14.104 3.908 -4.438 200 HB3 ALA 26 3HB ALA 26 -15.072 4.476 -5.799 201 H GLU 27 H GLU 27 -17.002 6.222 -4.170 202 HA GLU 27 HA GLU 27 -17.609 7.459 -6.652 203 HB2 GLU 27 2HB GLU 27 -19.210 6.068 -5.355 204 HB3 GLU 27 3HB GLU 27 -19.300 7.343 -4.149 205 HG2 GLU 27 2HG GLU 27 -20.280 8.853 -5.732 206 HG3 GLU 27 3HG GLU 27 -20.047 7.697 -7.041 207 H LYS 28 H LYS 28 -17.431 8.690 -3.325 208 HA LYS 28 HA LYS 28 -18.164 11.331 -3.847 209 HB2 LYS 28 2HB LYS 28 -16.902 11.868 -1.752 210 HB3 LYS 28 3HB LYS 28 -18.061 10.556 -1.583 211 HG2 LYS 28 2HG LYS 28 -16.216 8.936 -1.818 212 HG3 LYS 28 3HG LYS 28 -15.077 10.282 -1.888 213 HD2 LYS 28 2HD LYS 28 -16.981 9.891 0.409 214 HD3 LYS 28 3HD LYS 28 -15.377 9.155 0.370 215 HE2 LYS 28 2HE LYS 28 -14.296 11.219 0.446 216 HE3 LYS 28 3HE LYS 28 -15.732 12.096 -0.080 217 HZ1 LYS 28 1HZ LYS 28 -15.537 12.536 2.192 218 HZ2 LYS 28 2HZ LYS 28 -15.173 10.930 2.579 219 HZ3 LYS 28 3HZ LYS 28 -16.742 11.350 2.105 220 H VAL 29 H VAL 29 -14.986 9.773 -3.944 221 HA VAL 29 HA VAL 29 -13.521 12.143 -4.491 222 HB VAL 29 HB VAL 29 -12.781 9.279 -5.106 223 HG11 VAL 29 1HG1 VAL 29 -11.054 10.198 -6.177 224 HG12 VAL 29 2HG1 VAL 29 -11.444 11.812 -5.582 225 HG13 VAL 29 3HG1 VAL 29 -10.477 10.717 -4.594 226 HG21 VAL 29 1HG2 VAL 29 -12.333 8.977 -2.947 227 HG22 VAL 29 2HG2 VAL 29 -11.441 10.496 -2.854 228 HG23 VAL 29 3HG2 VAL 29 -13.191 10.486 -2.630 229 H PHE 30 H PHE 30 -14.415 9.420 -6.618 230 HA PHE 30 HA PHE 30 -13.537 10.539 -9.008 231 HB2 PHE 30 2HB PHE 30 -15.545 8.444 -8.298 232 HB3 PHE 30 3HB PHE 30 -15.492 9.030 -9.958 233 HD1 PHE 30 HD1 PHE 30 -14.257 7.768 -11.408 234 HD2 PHE 30 HD2 PHE 30 -13.048 7.986 -7.332 235 HE1 PHE 30 HE1 PHE 30 -12.385 6.245 -11.886 236 HE2 PHE 30 HE2 PHE 30 -11.174 6.464 -7.804 237 HZ PHE 30 HZ PHE 30 -10.838 5.592 -10.083 238 H LYS 31 H LYS 31 -16.392 11.172 -7.149 239 HA LYS 31 HA LYS 31 -17.990 12.337 -9.161 240 HB2 LYS 31 2HB LYS 31 -19.010 11.702 -7.090 241 HB3 LYS 31 3HB LYS 31 -17.916 12.726 -6.169 242 HG2 LYS 31 2HG LYS 31 -18.932 14.710 -7.219 243 HG3 LYS 31 3HG LYS 31 -20.070 13.654 -8.057 244 HD2 LYS 31 2HD LYS 31 -21.163 13.062 -6.089 245 HD3 LYS 31 3HD LYS 31 -19.800 13.544 -5.075 246 HE2 LYS 31 2HE LYS 31 -20.287 15.919 -5.998 247 HE3 LYS 31 3HE LYS 31 -21.862 15.249 -6.417 248 HZ1 LYS 31 1HZ LYS 31 -20.851 14.846 -3.695 249 HZ2 LYS 31 2HZ LYS 31 -22.444 15.007 -4.239 250 HZ3 LYS 31 3HZ LYS 31 -21.453 16.372 -4.110 251 H GLN 32 H GLN 32 -15.479 13.633 -7.062 252 HA GLN 32 HA GLN 32 -15.897 16.335 -8.039 253 HB2 GLN 32 2HB GLN 32 -15.327 16.175 -5.728 254 HB3 GLN 32 3HB GLN 32 -13.955 15.131 -6.071 255 HG2 GLN 32 2HG GLN 32 -12.838 16.993 -7.209 256 HG3 GLN 32 3HG GLN 32 -14.204 18.036 -6.816 257 HE21 GLN 32 1HE2 GLN 32 -12.467 15.604 -4.915 258 HE22 GLN 32 2HE2 GLN 32 -12.018 16.673 -3.634 259 H TYR 33 H TYR 33 -13.969 13.592 -8.774 260 HA TYR 33 HA TYR 33 -11.662 14.656 -9.836 261 HB2 TYR 33 2HB TYR 33 -13.219 12.201 -10.224 262 HB3 TYR 33 3HB TYR 33 -12.251 12.650 -11.623 263 HD1 TYR 33 HD1 TYR 33 -11.524 13.058 -7.989 264 HD2 TYR 33 HD2 TYR 33 -10.466 11.159 -11.647 265 HE1 TYR 33 HE1 TYR 33 -9.532 12.101 -6.909 266 HE2 TYR 33 HE2 TYR 33 -8.472 10.196 -10.576 267 HH TYR 33 HH TYR 33 -7.477 9.782 -8.570 268 H PHE 34 H PHE 34 -14.628 13.927 -11.684 269 HA PHE 34 HA PHE 34 -13.726 15.384 -13.973 270 HB2 PHE 34 2HB PHE 34 -15.781 14.774 -14.987 271 HB3 PHE 34 3HB PHE 34 -15.330 13.407 -13.974 272 HD1 PHE 34 HD1 PHE 34 -17.649 16.206 -14.393 273 HD2 PHE 34 HD2 PHE 34 -16.603 12.834 -12.015 274 HE1 PHE 34 HE1 PHE 34 -19.832 16.327 -13.266 275 HE2 PHE 34 HE2 PHE 34 -18.785 12.950 -10.884 276 HZ PHE 34 HZ PHE 34 -20.403 14.698 -11.510 277 H ASN 35 H ASN 35 -15.451 16.171 -11.097 278 HA ASN 35 HA ASN 35 -17.007 18.324 -11.843 279 HB2 ASN 35 2HB ASN 35 -16.844 17.298 -9.547 280 HB3 ASN 35 3HB ASN 35 -15.355 18.210 -9.315 281 HD21 ASN 35 1HD2 ASN 35 -16.388 19.225 -7.533 282 HD22 ASN 35 2HD2 ASN 35 -17.498 20.525 -7.786 283 H ASP 36 H ASP 36 -13.549 18.282 -11.064 284 HA ASP 36 HA ASP 36 -13.133 21.062 -11.327 285 HB2 ASP 36 2HB ASP 36 -11.206 18.750 -11.630 286 HB3 ASP 36 3HB ASP 36 -10.725 20.443 -11.555 287 H ASN 37 H ASN 37 -13.343 18.473 -13.636 288 HA ASN 37 HA ASN 37 -12.077 19.836 -15.795 289 HB2 ASN 37 2HB ASN 37 -12.552 17.294 -15.494 290 HB3 ASN 37 3HB ASN 37 -14.129 17.676 -16.177 291 HD21 ASN 37 1HD2 ASN 37 -11.675 16.159 -17.118 292 HD22 ASN 37 2HD2 ASN 37 -11.390 16.780 -18.704 293 H GLY 38 H GLY 38 -15.154 20.066 -14.330 294 HA2 GLY 38 2HA GLY 38 -16.960 21.408 -14.787 295 HA3 GLY 38 3HA GLY 38 -15.949 22.231 -15.965 296 H ILE 39 H ILE 39 -16.873 18.819 -15.941 297 HA ILE 39 HA ILE 39 -17.894 19.116 -18.651 298 HB ILE 39 HB ILE 39 -17.538 16.628 -16.975 299 HG12 ILE 39 2HG1 ILE 39 -15.874 17.529 -19.326 300 HG13 ILE 39 3HG1 ILE 39 -15.458 17.938 -17.665 301 HG21 ILE 39 1HG2 ILE 39 -19.198 16.131 -18.559 302 HG22 ILE 39 2HG2 ILE 39 -18.386 17.052 -19.824 303 HG23 ILE 39 3HG2 ILE 39 -17.701 15.526 -19.266 304 HD11 ILE 39 1HD1 ILE 39 -15.951 15.086 -18.263 305 HD12 ILE 39 2HD1 ILE 39 -14.479 15.811 -18.908 306 HD13 ILE 39 3HD1 ILE 39 -14.788 15.837 -17.171 307 H ASP 40 H ASP 40 -19.963 19.537 -18.997 308 HA ASP 40 HA ASP 40 -21.933 18.920 -16.930 309 HB2 ASP 40 2HB ASP 40 -22.353 20.460 -19.496 310 HB3 ASP 40 3HB ASP 40 -23.409 20.426 -18.086 311 H GLY 41 H GLY 41 -23.343 17.294 -17.085 312 HA2 GLY 41 2HA GLY 41 -24.688 16.360 -19.275 313 HA3 GLY 41 3HA GLY 41 -23.173 15.470 -19.295 314 H GLU 42 H GLU 42 -24.827 13.681 -19.090 315 HA GLU 42 HA GLU 42 -26.044 13.327 -16.506 316 HB2 GLU 42 2HB GLU 42 -27.099 12.449 -18.551 317 HB3 GLU 42 3HB GLU 42 -25.726 11.379 -18.797 318 HG2 GLU 42 2HG GLU 42 -26.305 10.473 -16.452 319 HG3 GLU 42 3HG GLU 42 -27.865 11.252 -16.714 320 H TRP 43 H TRP 43 -24.477 13.231 -14.947 321 HA TRP 43 HA TRP 43 -22.353 11.233 -15.240 322 HB2 TRP 43 2HB TRP 43 -21.410 12.327 -13.183 323 HB3 TRP 43 3HB TRP 43 -21.534 13.389 -14.584 324 HD1 TRP 43 HD1 TRP 43 -23.307 15.385 -14.462 325 HE1 TRP 43 HE1 TRP 43 -24.519 16.493 -12.480 326 HE3 TRP 43 HE3 TRP 43 -22.443 11.829 -10.892 327 HZ2 TRP 43 HZ2 TRP 43 -25.039 15.933 -9.762 328 HZ3 TRP 43 HZ3 TRP 43 -23.331 12.192 -8.626 329 HH2 TRP 43 HH2 TRP 43 -24.602 14.202 -8.074 330 H THR 44 H THR 44 -22.470 9.335 -14.243 331 HA THR 44 HA THR 44 -23.781 9.039 -11.689 332 HB THR 44 HB THR 44 -25.107 7.007 -12.753 333 HG1 THR 44 HG1 THR 44 -25.719 7.361 -14.836 334 HG21 THR 44 1HG2 THR 44 -25.913 9.163 -11.556 335 HG22 THR 44 2HG2 THR 44 -27.055 8.265 -12.556 336 HG23 THR 44 3HG2 THR 44 -26.292 9.726 -13.183 337 H TYR 45 H TYR 45 -23.744 6.633 -11.031 338 HA TYR 45 HA TYR 45 -21.160 5.523 -11.895 339 HB2 TYR 45 2HB TYR 45 -21.285 4.295 -9.666 340 HB3 TYR 45 3HB TYR 45 -21.042 6.036 -9.586 341 HD1 TYR 45 HD1 TYR 45 -22.836 7.509 -8.809 342 HD2 TYR 45 HD2 TYR 45 -23.331 3.284 -8.881 343 HE1 TYR 45 HE1 TYR 45 -24.797 7.719 -7.338 344 HE2 TYR 45 HE2 TYR 45 -25.294 3.482 -7.413 345 HH TYR 45 HH TYR 45 -26.649 6.599 -6.567 346 H ASP 46 H ASP 46 -21.161 3.685 -12.993 347 HA ASP 46 HA ASP 46 -23.583 2.280 -13.544 348 HB2 ASP 46 2HB ASP 46 -20.702 1.628 -14.196 349 HB3 ASP 46 3HB ASP 46 -22.086 0.717 -14.798 350 H ASP 47 H ASP 47 -24.523 0.886 -12.221 351 HA ASP 47 HA ASP 47 -23.298 -0.200 -9.927 352 HB2 ASP 47 2HB ASP 47 -25.701 0.104 -10.022 353 HB3 ASP 47 3HB ASP 47 -25.824 -1.017 -11.376 354 H ALA 48 H ALA 48 -23.396 -1.237 -13.211 355 HA ALA 48 HA ALA 48 -23.109 -3.975 -13.040 356 HB1 ALA 48 1HB ALA 48 -23.332 -2.950 -15.175 357 HB2 ALA 48 2HB ALA 48 -21.845 -2.026 -14.957 358 HB3 ALA 48 3HB ALA 48 -21.774 -3.777 -15.155 359 H THR 49 H THR 49 -20.279 -1.918 -13.666 360 HA THR 49 HA THR 49 -18.749 -3.599 -11.787 361 HB THR 49 HB THR 49 -16.830 -3.508 -13.202 362 HG1 THR 49 HG1 THR 49 -18.295 -1.914 -15.047 363 HG21 THR 49 1HG2 THR 49 -18.440 -5.217 -13.834 364 HG22 THR 49 2HG2 THR 49 -17.647 -4.577 -15.274 365 HG23 THR 49 3HG2 THR 49 -19.286 -4.068 -14.869 366 H LYS 50 H LYS 50 -20.083 -1.087 -11.230 367 HA LYS 50 HA LYS 50 -19.714 0.946 -10.267 368 HB2 LYS 50 2HB LYS 50 -16.977 -0.112 -9.580 369 HB3 LYS 50 3HB LYS 50 -17.947 1.047 -8.680 370 HG2 LYS 50 2HG LYS 50 -18.620 -1.864 -9.058 371 HG3 LYS 50 3HG LYS 50 -17.891 -1.158 -7.613 372 HD2 LYS 50 2HD LYS 50 -20.544 -0.274 -8.735 373 HD3 LYS 50 3HD LYS 50 -20.380 -1.525 -7.501 374 HE2 LYS 50 2HE LYS 50 -19.224 0.097 -6.049 375 HE3 LYS 50 3HE LYS 50 -19.459 1.341 -7.277 376 HZ1 LYS 50 1HZ LYS 50 -21.956 0.383 -6.914 377 HZ2 LYS 50 2HZ LYS 50 -21.334 1.769 -6.173 378 HZ3 LYS 50 3HZ LYS 50 -21.321 0.291 -5.349 379 H THR 51 H THR 51 -19.301 1.042 -12.961 380 HA THR 51 HA THR 51 -16.815 2.556 -13.343 381 HB THR 51 HB THR 51 -18.757 1.505 -15.411 382 HG1 THR 51 HG1 THR 51 -16.118 0.614 -14.814 383 HG21 THR 51 1HG2 THR 51 -16.480 1.979 -16.762 384 HG22 THR 51 2HG2 THR 51 -16.382 3.262 -15.555 385 HG23 THR 51 3HG2 THR 51 -17.783 3.158 -16.622 386 H PHE 52 H PHE 52 -16.878 4.697 -13.340 387 HA PHE 52 HA PHE 52 -19.414 6.084 -13.347 388 HB2 PHE 52 2HB PHE 52 -17.335 6.616 -11.894 389 HB3 PHE 52 3HB PHE 52 -16.724 7.427 -13.333 390 HD1 PHE 52 HD1 PHE 52 -19.564 7.360 -10.953 391 HD2 PHE 52 HD2 PHE 52 -17.404 9.596 -13.860 392 HE1 PHE 52 HE1 PHE 52 -20.848 9.372 -10.355 393 HE2 PHE 52 HE2 PHE 52 -18.684 11.611 -13.265 394 HZ PHE 52 HZ PHE 52 -20.407 11.502 -11.510 395 H THR 53 H THR 53 -20.323 7.094 -15.019 396 HA THR 53 HA THR 53 -18.674 7.710 -17.375 397 HB THR 53 HB THR 53 -21.478 6.655 -17.666 398 HG1 THR 53 HG1 THR 53 -20.297 4.993 -16.685 399 HG21 THR 53 1HG2 THR 53 -19.130 7.083 -19.493 400 HG22 THR 53 2HG2 THR 53 -20.770 7.714 -19.637 401 HG23 THR 53 3HG2 THR 53 -20.454 6.004 -19.927 402 H ILE 54 H ILE 54 -19.352 9.479 -18.614 403 HA ILE 54 HA ILE 54 -21.518 11.100 -17.453 404 HB ILE 54 HB ILE 54 -18.862 12.155 -18.431 405 HG12 ILE 54 2HG1 ILE 54 -20.015 12.112 -15.633 406 HG13 ILE 54 3HG1 ILE 54 -18.773 11.011 -16.221 407 HG21 ILE 54 1HG2 ILE 54 -21.296 13.553 -17.336 408 HG22 ILE 54 2HG2 ILE 54 -19.721 14.319 -17.538 409 HG23 ILE 54 3HG2 ILE 54 -20.597 13.721 -18.947 410 HD11 ILE 54 1HD1 ILE 54 -17.392 13.078 -16.716 411 HD12 ILE 54 2HD1 ILE 54 -18.574 13.963 -15.750 412 HD13 ILE 54 3HD1 ILE 54 -17.635 12.662 -15.020 413 H THR 55 H THR 55 -23.059 11.356 -18.915 414 HA THR 55 HA THR 55 -22.455 11.137 -21.751 415 HB THR 55 HB THR 55 -25.207 11.741 -20.765 416 HG1 THR 55 HG1 THR 55 -25.492 9.610 -20.126 417 HG21 THR 55 1HG2 THR 55 -23.924 10.289 -23.031 418 HG22 THR 55 2HG2 THR 55 -25.251 11.452 -23.044 419 HG23 THR 55 3HG2 THR 55 -25.535 9.794 -22.515 420 H GLU 56 H GLU 56 -21.649 12.946 -22.633 421 HA GLU 56 HA GLU 56 -22.586 15.558 -21.785 422 HB2 GLU 56 2HB GLU 56 -20.155 14.905 -22.384 423 HB3 GLU 56 3HB GLU 56 -20.681 15.055 -24.054 424 HG2 GLU 56 2HG GLU 56 -21.548 17.390 -23.244 425 HG3 GLU 56 3HG GLU 56 -20.350 17.154 -21.974 Start of MODEL 4 1 H1 MET 1 H MET 1 -12.185 -1.827 -3.721 2 HA MET 1 HA MET 1 -13.512 -2.699 -6.202 3 HB2 MET 1 2HB MET 1 -14.485 -0.921 -3.970 4 HB3 MET 1 3HB MET 1 -15.283 -0.998 -5.535 5 HG2 MET 1 2HG MET 1 -16.520 -2.494 -4.329 6 HG3 MET 1 3HG MET 1 -15.329 -3.560 -5.071 7 HE1 MET 1 1HE MET 1 -15.943 -1.358 -1.821 8 HE2 MET 1 2HE MET 1 -17.120 -2.665 -1.954 9 HE3 MET 1 3HE MET 1 -15.930 -2.679 -0.651 10 H THR 2 H THR 2 -12.606 -1.754 -7.905 11 HA THR 2 HA THR 2 -11.526 0.959 -7.642 12 HB THR 2 HB THR 2 -10.291 0.565 -9.659 13 HG1 THR 2 HG1 THR 2 -11.654 -1.933 -9.858 14 HG21 THR 2 1HG2 THR 2 -8.758 -0.672 -8.604 15 HG22 THR 2 2HG2 THR 2 -9.782 -2.106 -8.662 16 HG23 THR 2 3HG2 THR 2 -9.960 -0.947 -7.344 17 H PHE 3 H PHE 3 -12.147 2.637 -8.986 18 HA PHE 3 HA PHE 3 -14.674 2.200 -10.430 19 HB2 PHE 3 2HB PHE 3 -13.653 4.424 -8.747 20 HB3 PHE 3 3HB PHE 3 -14.630 4.869 -10.143 21 HD1 PHE 3 HD1 PHE 3 -14.720 2.324 -7.410 22 HD2 PHE 3 HD2 PHE 3 -16.859 5.172 -9.740 23 HE1 PHE 3 HE1 PHE 3 -16.762 1.832 -6.130 24 HE2 PHE 3 HE2 PHE 3 -18.904 4.686 -8.462 25 HZ PHE 3 HZ PHE 3 -18.858 3.015 -6.654 26 H LYS 4 H LYS 4 -14.929 2.954 -12.502 27 HA LYS 4 HA LYS 4 -12.467 3.871 -13.833 28 HB2 LYS 4 2HB LYS 4 -13.255 1.680 -14.600 29 HB3 LYS 4 3HB LYS 4 -14.826 2.371 -14.986 30 HG2 LYS 4 2HG LYS 4 -13.872 3.718 -16.724 31 HG3 LYS 4 3HG LYS 4 -12.240 3.224 -16.269 32 HD2 LYS 4 2HD LYS 4 -14.313 1.212 -17.084 33 HD3 LYS 4 3HD LYS 4 -13.343 2.068 -18.284 34 HE2 LYS 4 2HE LYS 4 -12.006 0.706 -15.984 35 HE3 LYS 4 3HE LYS 4 -12.554 -0.244 -17.364 36 HZ1 LYS 4 1HZ LYS 4 -10.399 1.716 -17.194 37 HZ2 LYS 4 2HZ LYS 4 -11.273 1.663 -18.642 38 HZ3 LYS 4 3HZ LYS 4 -10.485 0.276 -18.079 39 H LEU 5 H LEU 5 -12.533 6.008 -14.101 40 HA LEU 5 HA LEU 5 -15.062 7.367 -14.550 41 HB2 LEU 5 2HB LEU 5 -12.910 8.084 -13.133 42 HB3 LEU 5 3HB LEU 5 -12.497 8.840 -14.671 43 HG LEU 5 HG LEU 5 -14.980 9.372 -13.040 44 HD11 LEU 5 1HD1 LEU 5 -13.637 11.724 -13.290 45 HD12 LEU 5 2HD1 LEU 5 -12.311 10.572 -13.130 46 HD13 LEU 5 3HD1 LEU 5 -13.558 10.659 -11.885 47 HD21 LEU 5 1HD2 LEU 5 -14.054 10.358 -15.721 48 HD22 LEU 5 2HD2 LEU 5 -15.172 11.285 -14.720 49 HD23 LEU 5 3HD2 LEU 5 -15.616 9.670 -15.276 50 H ILE 6 H ILE 6 -15.842 7.632 -16.525 51 HA ILE 6 HA ILE 6 -13.942 7.934 -18.759 52 HB ILE 6 HB ILE 6 -16.682 6.683 -18.949 53 HG12 ILE 6 2HG1 ILE 6 -13.968 5.345 -18.922 54 HG13 ILE 6 3HG1 ILE 6 -15.150 5.279 -17.620 55 HG21 ILE 6 1HG2 ILE 6 -14.885 7.715 -20.889 56 HG22 ILE 6 2HG2 ILE 6 -14.939 5.962 -21.067 57 HG23 ILE 6 3HG2 ILE 6 -16.430 6.902 -21.141 58 HD11 ILE 6 1HD1 ILE 6 -15.398 4.106 -20.375 59 HD12 ILE 6 2HD1 ILE 6 -15.279 3.246 -18.839 60 HD13 ILE 6 3HD1 ILE 6 -16.723 4.186 -19.214 61 H ILE 7 H ILE 7 -14.265 9.592 -20.151 62 HA ILE 7 HA ILE 7 -16.564 11.351 -19.605 63 HB ILE 7 HB ILE 7 -13.879 12.123 -20.751 64 HG12 ILE 7 2HG1 ILE 7 -13.956 13.456 -18.453 65 HG13 ILE 7 3HG1 ILE 7 -14.992 12.112 -17.983 66 HG21 ILE 7 1HG2 ILE 7 -15.620 13.554 -21.588 67 HG22 ILE 7 2HG2 ILE 7 -16.278 13.769 -19.967 68 HG23 ILE 7 3HG2 ILE 7 -14.696 14.435 -20.372 69 HD11 ILE 7 1HD1 ILE 7 -13.288 10.564 -18.188 70 HD12 ILE 7 2HD1 ILE 7 -12.327 11.611 -19.233 71 HD13 ILE 7 3HD1 ILE 7 -12.470 11.973 -17.513 72 H ASN 8 H ASN 8 -18.016 10.568 -21.091 73 HA ASN 8 HA ASN 8 -17.294 10.018 -23.806 74 HB2 ASN 8 2HB ASN 8 -19.901 10.166 -22.313 75 HB3 ASN 8 3HB ASN 8 -19.872 9.991 -24.065 76 HD21 ASN 8 1HD2 ASN 8 -21.049 7.995 -23.358 77 HD22 ASN 8 2HD2 ASN 8 -20.095 6.585 -23.060 78 H GLY 9 H GLY 9 -16.248 12.135 -24.179 79 HA2 GLY 9 2HA GLY 9 -18.224 14.237 -24.814 80 HA3 GLY 9 3HA GLY 9 -16.546 14.551 -24.400 81 H LYS 10 H LYS 10 -18.312 15.118 -26.818 82 HA LYS 10 HA LYS 10 -17.557 13.670 -29.042 83 HB2 LYS 10 2HB LYS 10 -18.995 15.973 -28.591 84 HB3 LYS 10 3HB LYS 10 -17.622 16.560 -29.520 85 HG2 LYS 10 2HG LYS 10 -18.996 16.048 -31.239 86 HG3 LYS 10 3HG LYS 10 -18.248 14.462 -31.029 87 HD2 LYS 10 2HD LYS 10 -20.665 15.061 -29.414 88 HD3 LYS 10 3HD LYS 10 -20.890 14.796 -31.145 89 HE2 LYS 10 2HE LYS 10 -19.293 12.724 -30.605 90 HE3 LYS 10 3HE LYS 10 -20.043 12.912 -29.020 91 HZ1 LYS 10 1HZ LYS 10 -21.969 13.049 -31.115 92 HZ2 LYS 10 2HZ LYS 10 -21.921 12.030 -29.766 93 HZ3 LYS 10 3HZ LYS 10 -21.100 11.599 -31.180 94 H THR 11 H THR 11 -15.963 16.596 -27.772 95 HA THR 11 HA THR 11 -13.674 16.136 -29.503 96 HB THR 11 HB THR 11 -14.023 18.317 -27.442 97 HG1 THR 11 HG1 THR 11 -14.708 19.570 -29.278 98 HG21 THR 11 1HG2 THR 11 -12.119 19.239 -28.233 99 HG22 THR 11 2HG2 THR 11 -12.454 18.755 -29.895 100 HG23 THR 11 3HG2 THR 11 -11.768 17.594 -28.760 101 H LEU 12 H LEU 12 -14.318 16.407 -26.013 102 HA LEU 12 HA LEU 12 -11.655 15.494 -25.357 103 HB2 LEU 12 2HB LEU 12 -12.939 17.195 -24.031 104 HB3 LEU 12 3HB LEU 12 -13.998 15.887 -23.507 105 HG LEU 12 HG LEU 12 -11.054 15.693 -23.023 106 HD11 LEU 12 1HD1 LEU 12 -12.730 16.886 -20.899 107 HD12 LEU 12 2HD1 LEU 12 -12.254 17.940 -22.229 108 HD13 LEU 12 3HD1 LEU 12 -11.022 17.123 -21.269 109 HD21 LEU 12 1HD2 LEU 12 -11.728 13.830 -22.026 110 HD22 LEU 12 2HD2 LEU 12 -13.418 14.233 -22.328 111 HD23 LEU 12 3HD2 LEU 12 -12.621 14.811 -20.864 112 H LYS 13 H LYS 13 -11.071 13.444 -25.139 113 HA LYS 13 HA LYS 13 -13.057 11.457 -24.315 114 HB2 LYS 13 2HB LYS 13 -11.549 11.514 -26.878 115 HB3 LYS 13 3HB LYS 13 -11.738 9.954 -26.087 116 HG2 LYS 13 2HG LYS 13 -14.120 11.701 -26.514 117 HG3 LYS 13 3HG LYS 13 -13.478 10.734 -27.844 118 HD2 LYS 13 2HD LYS 13 -13.940 9.410 -25.217 119 HD3 LYS 13 3HD LYS 13 -15.337 9.786 -26.228 120 HE2 LYS 13 2HE LYS 13 -14.804 7.663 -26.946 121 HE3 LYS 13 3HE LYS 13 -13.928 8.659 -28.108 122 HZ1 LYS 13 1HZ LYS 13 -11.906 8.231 -27.059 123 HZ2 LYS 13 2HZ LYS 13 -12.688 6.731 -27.051 124 HZ3 LYS 13 3HZ LYS 13 -12.637 7.665 -25.642 125 H GLY 14 H GLY 14 -12.269 10.601 -22.508 126 HA2 GLY 14 2HA GLY 14 -9.686 9.352 -22.483 127 HA3 GLY 14 3HA GLY 14 -9.740 10.796 -21.483 128 H GLU 15 H GLU 15 -9.472 7.848 -20.881 129 HA GLU 15 HA GLU 15 -11.418 7.832 -18.700 130 HB2 GLU 15 2HB GLU 15 -11.770 5.340 -19.155 131 HB3 GLU 15 3HB GLU 15 -12.591 6.475 -20.217 132 HG2 GLU 15 2HG GLU 15 -11.297 5.947 -22.019 133 HG3 GLU 15 3HG GLU 15 -9.918 5.474 -21.031 134 H THR 16 H THR 16 -10.710 6.840 -16.845 135 HA THR 16 HA THR 16 -8.122 5.467 -16.907 136 HB THR 16 HB THR 16 -7.173 6.763 -15.150 137 HG1 THR 16 HG1 THR 16 -9.469 8.420 -15.042 138 HG21 THR 16 1HG2 THR 16 -8.410 8.929 -16.800 139 HG22 THR 16 2HG2 THR 16 -7.354 7.743 -17.566 140 HG23 THR 16 3HG2 THR 16 -6.743 8.750 -16.254 141 H THR 17 H THR 17 -7.638 4.854 -14.420 142 HA THR 17 HA THR 17 -9.999 4.115 -12.941 143 HB THR 17 HB THR 17 -8.270 1.836 -13.880 144 HG1 THR 17 HG1 THR 17 -10.818 2.359 -14.979 145 HG21 THR 17 1HG2 THR 17 -9.573 1.422 -11.878 146 HG22 THR 17 2HG2 THR 17 -10.256 0.513 -13.227 147 HG23 THR 17 3HG2 THR 17 -11.035 1.997 -12.677 148 H THR 18 H THR 18 -9.529 3.282 -10.850 149 HA THR 18 HA THR 18 -6.824 2.893 -9.984 150 HB THR 18 HB THR 18 -6.803 5.328 -10.057 151 HG1 THR 18 HG1 THR 18 -6.094 5.608 -7.961 152 HG21 THR 18 1HG2 THR 18 -8.922 6.170 -9.861 153 HG22 THR 18 2HG2 THR 18 -8.378 6.384 -8.198 154 HG23 THR 18 3HG2 THR 18 -9.389 5.004 -8.625 155 H GLU 19 H GLU 19 -6.679 2.260 -7.748 156 HA GLU 19 HA GLU 19 -9.124 0.977 -6.839 157 HB2 GLU 19 2HB GLU 19 -6.865 -0.180 -6.940 158 HB3 GLU 19 3HB GLU 19 -6.395 0.812 -5.567 159 HG2 GLU 19 2HG GLU 19 -8.903 -0.758 -5.358 160 HG3 GLU 19 3HG GLU 19 -7.367 -1.620 -5.266 161 H ALA 20 H ALA 20 -9.947 1.184 -4.710 162 HA ALA 20 HA ALA 20 -9.048 3.546 -3.212 163 HB1 ALA 20 1HB ALA 20 -10.936 4.264 -4.571 164 HB2 ALA 20 2HB ALA 20 -11.921 2.953 -3.918 165 HB3 ALA 20 3HB ALA 20 -11.365 4.251 -2.861 166 H VAL 21 H VAL 21 -10.463 3.611 -1.064 167 HA VAL 21 HA VAL 21 -9.856 1.149 0.298 168 HB VAL 21 HB VAL 21 -10.585 2.300 2.327 169 HG11 VAL 21 1HG1 VAL 21 -8.883 3.972 2.401 170 HG12 VAL 21 2HG1 VAL 21 -8.308 2.670 1.358 171 HG13 VAL 21 3HG1 VAL 21 -8.919 4.167 0.649 172 HG21 VAL 21 1HG2 VAL 21 -11.213 4.759 2.074 173 HG22 VAL 21 2HG2 VAL 21 -11.540 4.384 0.382 174 HG23 VAL 21 3HG2 VAL 21 -12.446 3.570 1.656 175 H ASP 22 H ASP 22 -12.724 2.798 -0.844 176 HA ASP 22 HA ASP 22 -14.279 0.401 -0.591 177 HB2 ASP 22 2HB ASP 22 -14.652 2.671 1.314 178 HB3 ASP 22 3HB ASP 22 -16.080 1.819 0.735 179 H ALA 23 H ALA 23 -16.439 0.637 -1.527 180 HA ALA 23 HA ALA 23 -16.405 2.058 -3.937 181 HB1 ALA 23 1HB ALA 23 -19.045 1.586 -3.602 182 HB2 ALA 23 2HB ALA 23 -17.886 0.379 -4.162 183 HB3 ALA 23 3HB ALA 23 -18.358 0.427 -2.463 184 H ALA 24 H ALA 24 -18.170 2.729 -0.920 185 HA ALA 24 HA ALA 24 -19.413 5.095 -1.808 186 HB1 ALA 24 1HB ALA 24 -18.673 4.497 1.045 187 HB2 ALA 24 2HB ALA 24 -20.020 5.467 0.448 188 HB3 ALA 24 3HB ALA 24 -20.023 3.719 0.218 189 H THR 25 H THR 25 -16.199 4.433 -0.747 190 HA THR 25 HA THR 25 -15.576 7.194 -0.137 191 HB THR 25 HB THR 25 -13.765 4.780 -0.349 192 HG1 THR 25 HG1 THR 25 -14.882 6.141 1.896 193 HG21 THR 25 1HG2 THR 25 -12.581 6.711 1.271 194 HG22 THR 25 2HG2 THR 25 -13.194 7.609 -0.118 195 HG23 THR 25 3HG2 THR 25 -12.090 6.255 -0.360 196 H ALA 26 H ALA 26 -15.160 4.933 -2.784 197 HA ALA 26 HA ALA 26 -13.429 6.705 -4.273 198 HB1 ALA 26 1HB ALA 26 -14.490 4.680 -5.947 199 HB2 ALA 26 2HB ALA 26 -12.866 4.807 -5.272 200 HB3 ALA 26 3HB ALA 26 -14.126 3.952 -4.383 201 H GLU 27 H GLU 27 -16.829 5.924 -4.122 202 HA GLU 27 HA GLU 27 -17.575 7.081 -6.602 203 HB2 GLU 27 2HB GLU 27 -19.820 6.824 -5.885 204 HB3 GLU 27 3HB GLU 27 -18.939 5.456 -5.220 205 HG2 GLU 27 2HG GLU 27 -18.833 6.546 -3.055 206 HG3 GLU 27 3HG GLU 27 -19.661 7.958 -3.711 207 H LYS 28 H LYS 28 -17.106 8.344 -3.376 208 HA LYS 28 HA LYS 28 -18.327 10.887 -3.930 209 HB2 LYS 28 2HB LYS 28 -17.380 11.542 -1.734 210 HB3 LYS 28 3HB LYS 28 -18.327 10.062 -1.657 211 HG2 LYS 28 2HG LYS 28 -16.285 8.738 -1.653 212 HG3 LYS 28 3HG LYS 28 -15.321 10.212 -1.770 213 HD2 LYS 28 2HD LYS 28 -16.739 10.848 0.386 214 HD3 LYS 28 3HD LYS 28 -16.820 9.091 0.537 215 HE2 LYS 28 2HE LYS 28 -14.887 9.453 1.680 216 HE3 LYS 28 3HE LYS 28 -14.218 9.319 0.055 217 HZ1 LYS 28 1HZ LYS 28 -13.494 11.282 1.487 218 HZ2 LYS 28 2HZ LYS 28 -15.021 11.935 1.164 219 HZ3 LYS 28 3HZ LYS 28 -13.955 11.608 -0.108 220 H VAL 29 H VAL 29 -15.148 9.502 -4.179 221 HA VAL 29 HA VAL 29 -13.815 12.048 -4.471 222 HB VAL 29 HB VAL 29 -12.797 9.245 -4.960 223 HG11 VAL 29 1HG1 VAL 29 -11.606 11.904 -5.357 224 HG12 VAL 29 2HG1 VAL 29 -10.600 10.753 -4.473 225 HG13 VAL 29 3HG1 VAL 29 -11.193 10.352 -6.086 226 HG21 VAL 29 1HG2 VAL 29 -12.062 11.003 -2.649 227 HG22 VAL 29 2HG2 VAL 29 -13.513 10.001 -2.594 228 HG23 VAL 29 3HG2 VAL 29 -11.930 9.251 -2.803 229 H PHE 30 H PHE 30 -14.768 9.363 -6.580 230 HA PHE 30 HA PHE 30 -13.658 10.386 -8.954 231 HB2 PHE 30 2HB PHE 30 -15.681 8.320 -8.265 232 HB3 PHE 30 3HB PHE 30 -15.681 8.919 -9.920 233 HD1 PHE 30 HD1 PHE 30 -14.492 7.670 -11.419 234 HD2 PHE 30 HD2 PHE 30 -13.153 7.858 -7.383 235 HE1 PHE 30 HE1 PHE 30 -12.633 6.155 -11.969 236 HE2 PHE 30 HE2 PHE 30 -11.292 6.344 -7.926 237 HZ PHE 30 HZ PHE 30 -11.030 5.490 -10.222 238 H LYS 31 H LYS 31 -16.443 11.278 -7.166 239 HA LYS 31 HA LYS 31 -17.941 12.423 -9.308 240 HB2 LYS 31 2HB LYS 31 -18.091 12.434 -6.336 241 HB3 LYS 31 3HB LYS 31 -18.922 13.726 -7.192 242 HG2 LYS 31 2HG LYS 31 -20.354 12.234 -8.289 243 HG3 LYS 31 3HG LYS 31 -19.340 10.843 -7.899 244 HD2 LYS 31 2HD LYS 31 -21.101 10.639 -6.397 245 HD3 LYS 31 3HD LYS 31 -19.860 11.449 -5.439 246 HE2 LYS 31 2HE LYS 31 -21.015 13.623 -6.294 247 HE3 LYS 31 3HE LYS 31 -22.380 12.554 -6.609 248 HZ1 LYS 31 1HZ LYS 31 -22.896 12.977 -4.490 249 HZ2 LYS 31 2HZ LYS 31 -21.345 13.524 -4.098 250 HZ3 LYS 31 3HZ LYS 31 -21.681 11.866 -4.104 251 H GLN 32 H GLN 32 -15.596 13.657 -6.979 252 HA GLN 32 HA GLN 32 -15.875 16.382 -7.845 253 HB2 GLN 32 2HB GLN 32 -15.015 15.358 -5.551 254 HB3 GLN 32 3HB GLN 32 -13.459 15.453 -6.364 255 HG2 GLN 32 2HG GLN 32 -13.454 17.492 -5.399 256 HG3 GLN 32 3HG GLN 32 -14.318 17.913 -6.877 257 HE21 GLN 32 1HE2 GLN 32 -16.715 17.751 -6.740 258 HE22 GLN 32 2HE2 GLN 32 -17.467 18.267 -5.273 259 H TYR 33 H TYR 33 -14.069 13.641 -8.852 260 HA TYR 33 HA TYR 33 -11.784 14.739 -9.949 261 HB2 TYR 33 2HB TYR 33 -13.426 12.338 -10.482 262 HB3 TYR 33 3HB TYR 33 -12.354 12.836 -11.786 263 HD1 TYR 33 HD1 TYR 33 -10.665 11.225 -11.779 264 HD2 TYR 33 HD2 TYR 33 -11.809 13.051 -8.111 265 HE1 TYR 33 HE1 TYR 33 -8.776 10.127 -10.650 266 HE2 TYR 33 HE2 TYR 33 -9.923 11.959 -6.971 267 HH TYR 33 HH TYR 33 -8.071 9.474 -8.454 268 H PHE 34 H PHE 34 -14.834 14.116 -11.693 269 HA PHE 34 HA PHE 34 -14.018 15.702 -13.935 270 HB2 PHE 34 2HB PHE 34 -16.072 15.095 -14.930 271 HB3 PHE 34 3HB PHE 34 -15.601 13.694 -13.974 272 HD1 PHE 34 HD1 PHE 34 -17.940 16.490 -14.267 273 HD2 PHE 34 HD2 PHE 34 -16.839 13.055 -12.010 274 HE1 PHE 34 HE1 PHE 34 -20.107 16.564 -13.104 275 HE2 PHE 34 HE2 PHE 34 -19.004 13.122 -10.844 276 HZ PHE 34 HZ PHE 34 -20.642 14.878 -11.390 277 H ASN 35 H ASN 35 -15.678 16.288 -10.972 278 HA ASN 35 HA ASN 35 -17.281 18.457 -11.550 279 HB2 ASN 35 2HB ASN 35 -17.217 17.413 -9.342 280 HB3 ASN 35 3HB ASN 35 -15.581 18.014 -9.086 281 HD21 ASN 35 1HD2 ASN 35 -18.469 19.572 -10.414 282 HD22 ASN 35 2HD2 ASN 35 -18.514 20.861 -9.263 283 H ASP 36 H ASP 36 -13.816 18.454 -10.773 284 HA ASP 36 HA ASP 36 -13.508 21.269 -11.006 285 HB2 ASP 36 2HB ASP 36 -11.884 20.107 -9.713 286 HB3 ASP 36 3HB ASP 36 -11.542 18.981 -11.024 287 H ASN 37 H ASN 37 -13.523 18.652 -13.274 288 HA ASN 37 HA ASN 37 -12.157 20.023 -15.377 289 HB2 ASN 37 2HB ASN 37 -13.666 17.472 -15.104 290 HB3 ASN 37 3HB ASN 37 -13.495 18.140 -16.724 291 HD21 ASN 37 1HD2 ASN 37 -12.121 16.629 -17.519 292 HD22 ASN 37 2HD2 ASN 37 -10.507 16.401 -16.945 293 H GLY 38 H GLY 38 -15.325 20.141 -14.107 294 HA2 GLY 38 2HA GLY 38 -17.146 21.415 -14.695 295 HA3 GLY 38 3HA GLY 38 -16.107 22.231 -15.856 296 H ILE 39 H ILE 39 -16.958 18.798 -15.716 297 HA ILE 39 HA ILE 39 -17.796 18.924 -18.497 298 HB ILE 39 HB ILE 39 -17.572 16.548 -16.645 299 HG12 ILE 39 2HG1 ILE 39 -15.740 17.254 -18.932 300 HG13 ILE 39 3HG1 ILE 39 -15.450 17.843 -17.298 301 HG21 ILE 39 1HG2 ILE 39 -18.003 16.678 -19.626 302 HG22 ILE 39 2HG2 ILE 39 -17.715 15.208 -18.698 303 HG23 ILE 39 3HG2 ILE 39 -19.178 16.152 -18.422 304 HD11 ILE 39 1HD1 ILE 39 -14.506 15.930 -16.726 305 HD12 ILE 39 2HD1 ILE 39 -15.917 15.015 -17.259 306 HD13 ILE 39 3HD1 ILE 39 -14.641 15.415 -18.407 307 H ASP 40 H ASP 40 -19.816 19.591 -18.845 308 HA ASP 40 HA ASP 40 -21.934 18.959 -16.955 309 HB2 ASP 40 2HB ASP 40 -21.786 20.694 -19.414 310 HB3 ASP 40 3HB ASP 40 -23.319 20.332 -18.626 311 H GLY 41 H GLY 41 -23.407 17.395 -17.208 312 HA2 GLY 41 2HA GLY 41 -24.629 16.465 -19.451 313 HA3 GLY 41 3HA GLY 41 -23.126 15.556 -19.406 314 H GLU 42 H GLU 42 -24.536 13.679 -19.224 315 HA GLU 42 HA GLU 42 -25.982 13.354 -16.729 316 HB2 GLU 42 2HB GLU 42 -26.900 12.473 -18.854 317 HB3 GLU 42 3HB GLU 42 -25.528 11.381 -18.973 318 HG2 GLU 42 2HG GLU 42 -27.178 10.031 -18.101 319 HG3 GLU 42 3HG GLU 42 -26.290 10.530 -16.663 320 H TRP 43 H TRP 43 -24.441 13.316 -15.121 321 HA TRP 43 HA TRP 43 -22.301 11.328 -15.300 322 HB2 TRP 43 2HB TRP 43 -21.460 12.423 -13.215 323 HB3 TRP 43 3HB TRP 43 -21.575 13.513 -14.594 324 HD1 TRP 43 HD1 TRP 43 -23.399 15.459 -14.475 325 HE1 TRP 43 HE1 TRP 43 -24.710 16.478 -12.507 326 HE3 TRP 43 HE3 TRP 43 -22.563 11.828 -10.974 327 HZ2 TRP 43 HZ2 TRP 43 -25.308 15.829 -9.827 328 HZ3 TRP 43 HZ3 TRP 43 -23.540 12.104 -8.733 329 HH2 TRP 43 HH2 TRP 43 -24.882 14.064 -8.172 330 H THR 44 H THR 44 -22.442 9.422 -14.324 331 HA THR 44 HA THR 44 -23.814 9.073 -11.825 332 HB THR 44 HB THR 44 -25.166 7.093 -12.993 333 HG1 THR 44 HG1 THR 44 -24.817 7.390 -15.105 334 HG21 THR 44 1HG2 THR 44 -26.290 9.870 -13.197 335 HG22 THR 44 2HG2 THR 44 -25.958 9.129 -11.631 336 HG23 THR 44 3HG2 THR 44 -27.106 8.377 -12.738 337 H TYR 45 H TYR 45 -23.871 6.621 -11.276 338 HA TYR 45 HA TYR 45 -21.299 5.482 -12.143 339 HB2 TYR 45 2HB TYR 45 -21.500 4.175 -9.953 340 HB3 TYR 45 3HB TYR 45 -21.165 5.898 -9.825 341 HD1 TYR 45 HD1 TYR 45 -22.737 7.394 -8.815 342 HD2 TYR 45 HD2 TYR 45 -23.746 3.303 -9.403 343 HE1 TYR 45 HE1 TYR 45 -24.692 7.671 -7.347 344 HE2 TYR 45 HE2 TYR 45 -25.704 3.569 -7.939 345 HH TYR 45 HH TYR 45 -26.553 6.720 -6.559 346 H ASP 46 H ASP 46 -21.256 3.558 -13.122 347 HA ASP 46 HA ASP 46 -23.732 2.277 -13.818 348 HB2 ASP 46 2HB ASP 46 -20.855 1.900 -14.531 349 HB3 ASP 46 3HB ASP 46 -21.975 0.574 -14.827 350 H ASP 47 H ASP 47 -24.713 0.704 -12.742 351 HA ASP 47 HA ASP 47 -23.711 -0.346 -10.324 352 HB2 ASP 47 2HB ASP 47 -26.165 -0.136 -11.203 353 HB3 ASP 47 3HB ASP 47 -25.862 -1.731 -11.888 354 H ALA 48 H ALA 48 -23.377 -1.342 -13.612 355 HA ALA 48 HA ALA 48 -22.931 -4.057 -13.421 356 HB1 ALA 48 1HB ALA 48 -21.240 -3.610 -15.332 357 HB2 ALA 48 2HB ALA 48 -22.944 -3.234 -15.584 358 HB3 ALA 48 3HB ALA 48 -21.802 -1.943 -15.211 359 H THR 49 H THR 49 -20.193 -1.813 -13.732 360 HA THR 49 HA THR 49 -18.798 -3.326 -11.626 361 HB THR 49 HB THR 49 -16.748 -3.318 -12.855 362 HG1 THR 49 HG1 THR 49 -16.772 -2.407 -15.045 363 HG21 THR 49 1HG2 THR 49 -17.359 -4.618 -14.883 364 HG22 THR 49 2HG2 THR 49 -19.043 -4.159 -14.627 365 HG23 THR 49 3HG2 THR 49 -18.208 -5.152 -13.433 366 H LYS 50 H LYS 50 -20.198 -0.858 -11.341 367 HA LYS 50 HA LYS 50 -19.960 1.262 -10.539 368 HB2 LYS 50 2HB LYS 50 -17.491 -0.135 -9.559 369 HB3 LYS 50 3HB LYS 50 -17.744 1.570 -9.207 370 HG2 LYS 50 2HG LYS 50 -18.550 0.396 -7.339 371 HG3 LYS 50 3HG LYS 50 -19.981 0.907 -8.238 372 HD2 LYS 50 2HD LYS 50 -18.904 -1.731 -8.978 373 HD3 LYS 50 3HD LYS 50 -19.559 -1.616 -7.343 374 HE2 LYS 50 2HE LYS 50 -21.126 -0.507 -9.627 375 HE3 LYS 50 3HE LYS 50 -21.102 -2.251 -9.366 376 HZ1 LYS 50 1HZ LYS 50 -22.806 -1.797 -8.005 377 HZ2 LYS 50 2HZ LYS 50 -22.385 -0.169 -7.818 378 HZ3 LYS 50 3HZ LYS 50 -21.604 -1.355 -6.899 379 H THR 51 H THR 51 -19.594 1.380 -13.137 380 HA THR 51 HA THR 51 -17.066 2.785 -13.640 381 HB THR 51 HB THR 51 -19.134 1.803 -15.617 382 HG1 THR 51 HG1 THR 51 -16.724 0.725 -14.614 383 HG21 THR 51 1HG2 THR 51 -18.138 3.311 -16.958 384 HG22 THR 51 2HG2 THR 51 -16.799 2.164 -16.990 385 HG23 THR 51 3HG2 THR 51 -16.772 3.521 -15.864 386 H PHE 52 H PHE 52 -17.075 4.923 -13.526 387 HA PHE 52 HA PHE 52 -19.555 6.401 -13.535 388 HB2 PHE 52 2HB PHE 52 -17.434 6.823 -12.081 389 HB3 PHE 52 3HB PHE 52 -16.837 7.675 -13.502 390 HD1 PHE 52 HD1 PHE 52 -19.527 7.599 -10.975 391 HD2 PHE 52 HD2 PHE 52 -17.600 9.838 -14.041 392 HE1 PHE 52 HE1 PHE 52 -20.769 9.608 -10.284 393 HE2 PHE 52 HE2 PHE 52 -18.839 11.850 -13.353 394 HZ PHE 52 HZ PHE 52 -20.425 11.737 -11.472 395 H THR 53 H THR 53 -20.489 7.122 -15.319 396 HA THR 53 HA THR 53 -18.784 7.833 -17.617 397 HB THR 53 HB THR 53 -21.613 6.942 -18.025 398 HG1 THR 53 HG1 THR 53 -20.825 4.786 -18.222 399 HG21 THR 53 1HG2 THR 53 -19.641 7.839 -19.703 400 HG22 THR 53 2HG2 THR 53 -21.036 6.879 -20.195 401 HG23 THR 53 3HG2 THR 53 -19.495 6.089 -19.856 402 H ILE 54 H ILE 54 -19.318 9.666 -18.780 403 HA ILE 54 HA ILE 54 -21.466 11.335 -17.646 404 HB ILE 54 HB ILE 54 -18.783 12.291 -18.651 405 HG12 ILE 54 2HG1 ILE 54 -19.930 12.342 -15.852 406 HG13 ILE 54 3HG1 ILE 54 -18.745 11.172 -16.421 407 HG21 ILE 54 1HG2 ILE 54 -20.079 14.328 -17.254 408 HG22 ILE 54 2HG2 ILE 54 -19.799 14.236 -18.991 409 HG23 ILE 54 3HG2 ILE 54 -21.309 13.631 -18.309 410 HD11 ILE 54 1HD1 ILE 54 -17.702 12.954 -15.140 411 HD12 ILE 54 2HD1 ILE 54 -17.154 12.972 -16.816 412 HD13 ILE 54 3HD1 ILE 54 -18.344 14.150 -16.264 413 H THR 55 H THR 55 -22.993 11.004 -19.200 414 HA THR 55 HA THR 55 -22.359 11.072 -22.005 415 HB THR 55 HB THR 55 -25.166 11.350 -21.018 416 HG1 THR 55 HG1 THR 55 -23.817 8.850 -21.028 417 HG21 THR 55 1HG2 THR 55 -25.544 9.714 -22.866 418 HG22 THR 55 2HG2 THR 55 -23.822 9.805 -23.236 419 HG23 THR 55 3HG2 THR 55 -24.836 11.238 -23.397 420 H GLU 56 H GLU 56 -21.626 13.029 -22.675 421 HA GLU 56 HA GLU 56 -22.793 15.496 -21.799 422 HB2 GLU 56 2HB GLU 56 -20.734 14.786 -23.876 423 HB3 GLU 56 3HB GLU 56 -21.327 16.431 -23.692 424 HG2 GLU 56 2HG GLU 56 -20.683 16.063 -21.185 425 HG3 GLU 56 3HG GLU 56 -19.643 14.807 -21.854 Start of MODEL 5 1 H1 MET 1 H MET 1 -12.138 -1.176 -3.561 2 HA MET 1 HA MET 1 -13.194 -2.420 -6.004 3 HB2 MET 1 2HB MET 1 -14.341 -0.470 -4.030 4 HB3 MET 1 3HB MET 1 -15.011 -0.596 -5.651 5 HG2 MET 1 2HG MET 1 -16.359 -2.036 -4.497 6 HG3 MET 1 3HG MET 1 -15.125 -3.137 -5.107 7 HE1 MET 1 1HE MET 1 -16.515 -4.443 -3.545 8 HE2 MET 1 2HE MET 1 -15.295 -5.175 -2.503 9 HE3 MET 1 3HE MET 1 -16.615 -4.241 -1.796 10 H THR 2 H THR 2 -12.058 -1.739 -7.717 11 HA THR 2 HA THR 2 -11.062 0.985 -7.856 12 HB THR 2 HB THR 2 -9.889 0.327 -9.837 13 HG1 THR 2 HG1 THR 2 -10.581 -1.246 -11.084 14 HG21 THR 2 1HG2 THR 2 -9.612 -2.215 -8.345 15 HG22 THR 2 2HG2 THR 2 -9.365 -0.729 -7.427 16 HG23 THR 2 3HG2 THR 2 -8.382 -1.060 -8.853 17 H PHE 3 H PHE 3 -11.947 2.601 -8.993 18 HA PHE 3 HA PHE 3 -14.366 2.003 -10.548 19 HB2 PHE 3 2HB PHE 3 -13.475 4.340 -8.927 20 HB3 PHE 3 3HB PHE 3 -14.524 4.647 -10.306 21 HD1 PHE 3 HD1 PHE 3 -16.643 5.091 -9.542 22 HD2 PHE 3 HD2 PHE 3 -14.439 1.905 -7.781 23 HE1 PHE 3 HE1 PHE 3 -18.605 4.490 -8.183 24 HE2 PHE 3 HE2 PHE 3 -16.397 1.297 -6.419 25 HZ PHE 3 HZ PHE 3 -18.483 2.591 -6.620 26 H LYS 4 H LYS 4 -14.666 2.849 -12.610 27 HA LYS 4 HA LYS 4 -12.207 3.808 -13.921 28 HB2 LYS 4 2HB LYS 4 -12.951 1.578 -14.673 29 HB3 LYS 4 3HB LYS 4 -14.505 2.261 -15.134 30 HG2 LYS 4 2HG LYS 4 -13.457 3.622 -16.824 31 HG3 LYS 4 3HG LYS 4 -11.857 3.082 -16.310 32 HD2 LYS 4 2HD LYS 4 -13.938 1.111 -17.190 33 HD3 LYS 4 3HD LYS 4 -12.944 1.967 -18.371 34 HE2 LYS 4 2HE LYS 4 -11.776 0.439 -16.057 35 HE3 LYS 4 3HE LYS 4 -12.109 -0.308 -17.619 36 HZ1 LYS 4 1HZ LYS 4 -10.476 0.902 -18.651 37 HZ2 LYS 4 2HZ LYS 4 -9.779 0.676 -17.127 38 HZ3 LYS 4 3HZ LYS 4 -10.507 2.154 -17.512 39 H LEU 5 H LEU 5 -12.320 5.925 -14.276 40 HA LEU 5 HA LEU 5 -14.892 7.213 -14.709 41 HB2 LEU 5 2HB LEU 5 -12.672 7.990 -13.361 42 HB3 LEU 5 3HB LEU 5 -12.427 8.809 -14.903 43 HG LEU 5 HG LEU 5 -14.917 9.101 -13.227 44 HD11 LEU 5 1HD1 LEU 5 -12.569 10.980 -13.408 45 HD12 LEU 5 2HD1 LEU 5 -12.900 9.913 -12.043 46 HD13 LEU 5 3HD1 LEU 5 -14.037 11.198 -12.453 47 HD21 LEU 5 1HD2 LEU 5 -13.943 10.217 -15.796 48 HD22 LEU 5 2HD2 LEU 5 -14.815 11.302 -14.713 49 HD23 LEU 5 3HD2 LEU 5 -15.581 9.817 -15.280 50 H ILE 6 H ILE 6 -15.686 7.314 -16.695 51 HA ILE 6 HA ILE 6 -13.828 7.810 -18.926 52 HB ILE 6 HB ILE 6 -16.337 6.148 -19.134 53 HG12 ILE 6 2HG1 ILE 6 -13.455 5.236 -18.981 54 HG13 ILE 6 3HG1 ILE 6 -14.668 5.013 -17.726 55 HG21 ILE 6 1HG2 ILE 6 -14.229 5.857 -21.136 56 HG22 ILE 6 2HG2 ILE 6 -15.969 6.048 -21.339 57 HG23 ILE 6 3HG2 ILE 6 -14.950 7.465 -21.086 58 HD11 ILE 6 1HD1 ILE 6 -14.820 2.983 -18.693 59 HD12 ILE 6 2HD1 ILE 6 -15.938 3.839 -19.756 60 HD13 ILE 6 3HD1 ILE 6 -14.272 3.568 -20.264 61 H ILE 7 H ILE 7 -14.215 9.692 -19.868 62 HA ILE 7 HA ILE 7 -16.864 10.914 -19.586 63 HB ILE 7 HB ILE 7 -14.292 12.191 -20.522 64 HG12 ILE 7 2HG1 ILE 7 -14.732 13.352 -18.159 65 HG13 ILE 7 3HG1 ILE 7 -15.501 11.804 -17.826 66 HG21 ILE 7 1HG2 ILE 7 -16.068 13.450 -21.396 67 HG22 ILE 7 2HG2 ILE 7 -17.032 13.263 -19.932 68 HG23 ILE 7 3HG2 ILE 7 -15.602 14.294 -19.919 69 HD11 ILE 7 1HD1 ILE 7 -12.768 11.828 -18.995 70 HD12 ILE 7 2HD1 ILE 7 -12.979 12.197 -17.283 71 HD13 ILE 7 3HD1 ILE 7 -13.532 10.651 -17.928 72 H ASN 8 H ASN 8 -18.085 10.034 -21.200 73 HA ASN 8 HA ASN 8 -17.105 9.695 -23.869 74 HB2 ASN 8 2HB ASN 8 -19.773 9.378 -22.534 75 HB3 ASN 8 3HB ASN 8 -19.665 9.364 -24.292 76 HD21 ASN 8 1HD2 ASN 8 -20.536 7.175 -23.923 77 HD22 ASN 8 2HD2 ASN 8 -19.414 5.889 -23.657 78 H GLY 9 H GLY 9 -16.348 11.887 -24.238 79 HA2 GLY 9 2HA GLY 9 -18.529 13.795 -24.795 80 HA3 GLY 9 3HA GLY 9 -16.867 14.251 -24.448 81 H LYS 10 H LYS 10 -18.159 15.271 -26.644 82 HA LYS 10 HA LYS 10 -17.406 13.715 -28.972 83 HB2 LYS 10 2HB LYS 10 -19.465 14.912 -29.159 84 HB3 LYS 10 3HB LYS 10 -18.715 16.412 -28.628 85 HG2 LYS 10 2HG LYS 10 -19.113 16.485 -31.003 86 HG3 LYS 10 3HG LYS 10 -17.376 16.449 -30.690 87 HD2 LYS 10 2HD LYS 10 -17.802 14.953 -32.495 88 HD3 LYS 10 3HD LYS 10 -17.457 13.968 -31.070 89 HE2 LYS 10 2HE LYS 10 -19.638 13.265 -30.863 90 HE3 LYS 10 3HE LYS 10 -20.285 14.680 -31.692 91 HZ1 LYS 10 1HZ LYS 10 -19.190 12.207 -32.815 92 HZ2 LYS 10 2HZ LYS 10 -18.983 13.638 -33.693 93 HZ3 LYS 10 3HZ LYS 10 -20.539 13.106 -33.299 94 H THR 11 H THR 11 -16.219 16.410 -27.114 95 HA THR 11 HA THR 11 -14.020 16.764 -29.043 96 HB THR 11 HB THR 11 -14.946 18.708 -26.919 97 HG1 THR 11 HG1 THR 11 -15.391 18.602 -29.730 98 HG21 THR 11 1HG2 THR 11 -12.529 18.525 -28.424 99 HG22 THR 11 2HG2 THR 11 -13.020 19.769 -27.274 100 HG23 THR 11 3HG2 THR 11 -13.434 19.931 -28.981 101 H LEU 12 H LEU 12 -14.833 16.276 -25.657 102 HA LEU 12 HA LEU 12 -11.982 15.962 -25.023 103 HB2 LEU 12 2HB LEU 12 -13.216 17.547 -23.636 104 HB3 LEU 12 3HB LEU 12 -14.361 16.281 -23.199 105 HG LEU 12 HG LEU 12 -11.479 15.870 -22.566 106 HD11 LEU 12 1HD1 LEU 12 -12.111 16.990 -20.304 107 HD12 LEU 12 2HD1 LEU 12 -13.281 17.875 -21.283 108 HD13 LEU 12 3HD1 LEU 12 -11.561 17.984 -21.654 109 HD21 LEU 12 1HD2 LEU 12 -13.930 14.586 -22.023 110 HD22 LEU 12 2HD2 LEU 12 -13.344 15.241 -20.495 111 HD23 LEU 12 3HD2 LEU 12 -12.322 14.156 -21.439 112 H LYS 13 H LYS 13 -11.241 14.124 -23.913 113 HA LYS 13 HA LYS 13 -13.046 11.899 -23.479 114 HB2 LYS 13 2HB LYS 13 -12.171 11.956 -25.951 115 HB3 LYS 13 3HB LYS 13 -10.685 11.343 -25.237 116 HG2 LYS 13 2HG LYS 13 -11.879 9.454 -25.954 117 HG3 LYS 13 3HG LYS 13 -12.092 9.514 -24.203 118 HD2 LYS 13 2HD LYS 13 -14.270 10.709 -24.622 119 HD3 LYS 13 3HD LYS 13 -14.062 10.327 -26.332 120 HE2 LYS 13 2HE LYS 13 -13.861 8.133 -24.326 121 HE3 LYS 13 3HE LYS 13 -15.455 8.757 -24.747 122 HZ1 LYS 13 1HZ LYS 13 -13.572 7.227 -26.363 123 HZ2 LYS 13 2HZ LYS 13 -14.461 8.423 -27.165 124 HZ3 LYS 13 3HZ LYS 13 -15.262 7.183 -26.339 125 H GLY 14 H GLY 14 -12.504 11.272 -21.497 126 HA2 GLY 14 2HA GLY 14 -9.633 10.963 -20.882 127 HA3 GLY 14 3HA GLY 14 -10.732 11.708 -19.731 128 H GLU 15 H GLU 15 -9.067 9.048 -20.076 129 HA GLU 15 HA GLU 15 -11.084 7.413 -18.723 130 HB2 GLU 15 2HB GLU 15 -9.275 6.265 -20.847 131 HB3 GLU 15 3HB GLU 15 -10.599 5.461 -20.017 132 HG2 GLU 15 2HG GLU 15 -12.186 6.987 -21.102 133 HG3 GLU 15 3HG GLU 15 -10.848 7.741 -21.965 134 H THR 16 H THR 16 -10.324 6.503 -16.925 135 HA THR 16 HA THR 16 -7.651 5.550 -16.645 136 HB THR 16 HB THR 16 -6.996 7.810 -16.333 137 HG1 THR 16 HG1 THR 16 -6.669 7.779 -13.900 138 HG21 THR 16 1HG2 THR 16 -9.502 8.015 -14.702 139 HG22 THR 16 2HG2 THR 16 -8.942 9.044 -16.020 140 HG23 THR 16 3HG2 THR 16 -8.170 9.139 -14.438 141 H THR 17 H THR 17 -7.392 4.253 -14.842 142 HA THR 17 HA THR 17 -9.732 4.012 -13.066 143 HB THR 17 HB THR 17 -8.073 1.691 -14.067 144 HG1 THR 17 HG1 THR 17 -10.739 2.376 -14.800 145 HG21 THR 17 1HG2 THR 17 -8.986 0.682 -12.286 146 HG22 THR 17 2HG2 THR 17 -10.509 0.756 -13.173 147 HG23 THR 17 3HG2 THR 17 -10.107 2.013 -12.004 148 H THR 18 H THR 18 -9.334 3.449 -10.924 149 HA THR 18 HA THR 18 -6.643 2.933 -10.012 150 HB THR 18 HB THR 18 -6.545 5.359 -10.188 151 HG1 THR 18 HG1 THR 18 -5.596 4.276 -8.329 152 HG21 THR 18 1HG2 THR 18 -8.055 6.718 -8.680 153 HG22 THR 18 2HG2 THR 18 -9.048 5.269 -8.510 154 HG23 THR 18 3HG2 THR 18 -8.829 6.010 -10.097 155 H GLU 19 H GLU 19 -6.549 2.510 -7.689 156 HA GLU 19 HA GLU 19 -9.006 1.244 -6.788 157 HB2 GLU 19 2HB GLU 19 -6.843 0.033 -6.685 158 HB3 GLU 19 3HB GLU 19 -6.256 1.225 -5.534 159 HG2 GLU 19 2HG GLU 19 -7.929 0.560 -3.929 160 HG3 GLU 19 3HG GLU 19 -8.638 -0.560 -5.091 161 H ALA 20 H ALA 20 -9.885 1.565 -4.680 162 HA ALA 20 HA ALA 20 -9.066 3.988 -3.265 163 HB1 ALA 20 1HB ALA 20 -11.227 4.001 -5.027 164 HB2 ALA 20 2HB ALA 20 -11.942 3.905 -3.417 165 HB3 ALA 20 3HB ALA 20 -10.833 5.218 -3.812 166 H VAL 21 H VAL 21 -10.949 4.201 -1.379 167 HA VAL 21 HA VAL 21 -10.382 2.047 0.366 168 HB VAL 21 HB VAL 21 -12.561 4.107 0.714 169 HG11 VAL 21 1HG1 VAL 21 -12.042 3.745 3.132 170 HG12 VAL 21 2HG1 VAL 21 -12.743 2.344 2.318 171 HG13 VAL 21 3HG1 VAL 21 -11.011 2.397 2.651 172 HG21 VAL 21 1HG2 VAL 21 -10.785 5.513 0.427 173 HG22 VAL 21 2HG2 VAL 21 -10.595 5.153 2.143 174 HG23 VAL 21 3HG2 VAL 21 -9.605 4.312 0.948 175 H ASP 22 H ASP 22 -13.424 3.072 -1.183 176 HA ASP 22 HA ASP 22 -14.276 0.353 -1.504 177 HB2 ASP 22 2HB ASP 22 -16.394 0.679 -0.169 178 HB3 ASP 22 3HB ASP 22 -14.925 0.517 0.787 179 H ALA 23 H ALA 23 -16.811 0.486 -2.120 180 HA ALA 23 HA ALA 23 -16.899 1.928 -4.541 181 HB1 ALA 23 1HB ALA 23 -18.183 -0.021 -4.489 182 HB2 ALA 23 2HB ALA 23 -18.961 0.421 -2.969 183 HB3 ALA 23 3HB ALA 23 -19.377 1.277 -4.453 184 H ALA 24 H ALA 24 -18.094 2.625 -1.318 185 HA ALA 24 HA ALA 24 -19.685 4.873 -2.105 186 HB1 ALA 24 1HB ALA 24 -18.789 4.842 0.672 187 HB2 ALA 24 2HB ALA 24 -20.422 4.839 0.006 188 HB3 ALA 24 3HB ALA 24 -19.526 3.327 0.150 189 H THR 25 H THR 25 -16.451 4.443 -0.731 190 HA THR 25 HA THR 25 -15.908 7.224 -0.461 191 HB THR 25 HB THR 25 -13.991 4.890 -0.606 192 HG1 THR 25 HG1 THR 25 -15.617 5.093 1.186 193 HG21 THR 25 1HG2 THR 25 -12.526 6.571 0.687 194 HG22 THR 25 2HG2 THR 25 -13.601 7.800 0.019 195 HG23 THR 25 3HG2 THR 25 -12.667 6.763 -1.060 196 H ALA 26 H ALA 26 -14.927 4.784 -2.859 197 HA ALA 26 HA ALA 26 -13.437 6.523 -4.494 198 HB1 ALA 26 1HB ALA 26 -13.179 4.750 -5.899 199 HB2 ALA 26 2HB ALA 26 -13.702 3.886 -4.452 200 HB3 ALA 26 3HB ALA 26 -14.857 4.233 -5.738 201 H GLU 27 H GLU 27 -16.849 5.949 -4.206 202 HA GLU 27 HA GLU 27 -17.646 6.960 -6.727 203 HB2 GLU 27 2HB GLU 27 -19.194 5.624 -5.484 204 HB3 GLU 27 3HB GLU 27 -19.104 6.703 -4.099 205 HG2 GLU 27 2HG GLU 27 -20.050 7.793 -6.697 206 HG3 GLU 27 3HG GLU 27 -21.135 6.772 -5.755 207 H LYS 28 H LYS 28 -17.792 8.478 -3.501 208 HA LYS 28 HA LYS 28 -18.524 11.027 -4.357 209 HB2 LYS 28 2HB LYS 28 -17.637 11.812 -2.182 210 HB3 LYS 28 3HB LYS 28 -18.662 10.393 -2.025 211 HG2 LYS 28 2HG LYS 28 -16.738 8.971 -1.759 212 HG3 LYS 28 3HG LYS 28 -15.652 10.328 -2.066 213 HD2 LYS 28 2HD LYS 28 -17.048 11.360 -0.036 214 HD3 LYS 28 3HD LYS 28 -17.215 9.649 0.359 215 HE2 LYS 28 2HE LYS 28 -14.743 9.434 0.195 216 HE3 LYS 28 3HE LYS 28 -14.647 11.179 -0.042 217 HZ1 LYS 28 1HZ LYS 28 -14.568 9.916 2.349 218 HZ2 LYS 28 2HZ LYS 28 -16.180 10.419 2.268 219 HZ3 LYS 28 3HZ LYS 28 -14.933 11.553 2.124 220 H VAL 29 H VAL 29 -15.367 9.508 -4.144 221 HA VAL 29 HA VAL 29 -13.849 11.879 -4.571 222 HB VAL 29 HB VAL 29 -13.079 8.997 -5.051 223 HG11 VAL 29 1HG1 VAL 29 -10.753 10.179 -4.563 224 HG12 VAL 29 2HG1 VAL 29 -11.423 10.069 -6.192 225 HG13 VAL 29 3HG1 VAL 29 -11.596 11.560 -5.263 226 HG21 VAL 29 1HG2 VAL 29 -13.637 10.310 -2.657 227 HG22 VAL 29 2HG2 VAL 29 -12.787 8.778 -2.854 228 HG23 VAL 29 3HG2 VAL 29 -11.877 10.286 -2.765 229 H PHE 30 H PHE 30 -14.875 9.227 -6.706 230 HA PHE 30 HA PHE 30 -13.700 10.294 -9.049 231 HB2 PHE 30 2HB PHE 30 -15.684 8.156 -8.442 232 HB3 PHE 30 3HB PHE 30 -15.601 8.749 -10.097 233 HD1 PHE 30 HD1 PHE 30 -13.117 7.898 -7.439 234 HD2 PHE 30 HD2 PHE 30 -14.372 7.403 -11.477 235 HE1 PHE 30 HE1 PHE 30 -11.183 6.436 -7.859 236 HE2 PHE 30 HE2 PHE 30 -12.441 5.940 -11.902 237 HZ PHE 30 HZ PHE 30 -10.843 5.454 -10.092 238 H LYS 31 H LYS 31 -16.675 10.917 -7.390 239 HA LYS 31 HA LYS 31 -18.112 12.065 -9.551 240 HB2 LYS 31 2HB LYS 31 -19.269 11.310 -7.558 241 HB3 LYS 31 3HB LYS 31 -18.374 12.452 -6.565 242 HG2 LYS 31 2HG LYS 31 -19.795 13.734 -8.755 243 HG3 LYS 31 3HG LYS 31 -20.860 12.857 -7.654 244 HD2 LYS 31 2HD LYS 31 -18.754 14.587 -6.470 245 HD3 LYS 31 3HD LYS 31 -20.147 15.374 -7.214 246 HE2 LYS 31 2HE LYS 31 -21.613 14.552 -5.661 247 HE3 LYS 31 3HE LYS 31 -20.643 13.114 -5.346 248 HZ1 LYS 31 1HZ LYS 31 -19.512 15.695 -4.576 249 HZ2 LYS 31 2HZ LYS 31 -19.377 14.188 -3.822 250 HZ3 LYS 31 3HZ LYS 31 -20.789 15.100 -3.638 251 H GLN 32 H GLN 32 -15.825 13.331 -7.208 252 HA GLN 32 HA GLN 32 -16.232 16.063 -8.098 253 HB2 GLN 32 2HB GLN 32 -15.830 15.814 -5.760 254 HB3 GLN 32 3HB GLN 32 -14.413 14.813 -6.042 255 HG2 GLN 32 2HG GLN 32 -13.258 16.747 -7.014 256 HG3 GLN 32 3HG GLN 32 -14.673 17.743 -6.680 257 HE21 GLN 32 1HE2 GLN 32 -13.026 15.264 -4.760 258 HE22 GLN 32 2HE2 GLN 32 -12.697 16.285 -3.405 259 H TYR 33 H TYR 33 -14.192 13.394 -8.802 260 HA TYR 33 HA TYR 33 -11.846 14.579 -9.654 261 HB2 TYR 33 2HB TYR 33 -13.127 12.042 -9.958 262 HB3 TYR 33 3HB TYR 33 -12.484 12.532 -11.521 263 HD1 TYR 33 HD1 TYR 33 -10.028 13.900 -10.907 264 HD2 TYR 33 HD2 TYR 33 -11.709 10.465 -9.042 265 HE1 TYR 33 HE1 TYR 33 -7.779 13.185 -10.210 266 HE2 TYR 33 HE2 TYR 33 -9.466 9.741 -8.340 267 HH TYR 33 HH TYR 33 -6.597 11.234 -9.530 268 H PHE 34 H PHE 34 -14.636 13.759 -11.725 269 HA PHE 34 HA PHE 34 -13.640 15.288 -13.923 270 HB2 PHE 34 2HB PHE 34 -15.572 14.602 -15.089 271 HB3 PHE 34 3HB PHE 34 -15.195 13.255 -14.021 272 HD1 PHE 34 HD1 PHE 34 -16.622 12.705 -12.157 273 HD2 PHE 34 HD2 PHE 34 -17.512 15.998 -14.703 274 HE1 PHE 34 HE1 PHE 34 -18.897 12.805 -11.226 275 HE2 PHE 34 HE2 PHE 34 -19.789 16.105 -13.775 276 HZ PHE 34 HZ PHE 34 -20.484 14.508 -12.033 277 H ASN 35 H ASN 35 -15.619 15.959 -11.174 278 HA ASN 35 HA ASN 35 -17.127 18.120 -12.051 279 HB2 ASN 35 2HB ASN 35 -17.457 17.110 -9.856 280 HB3 ASN 35 3HB ASN 35 -15.870 17.669 -9.336 281 HD21 ASN 35 1HD2 ASN 35 -18.861 18.960 -10.744 282 HD22 ASN 35 2HD2 ASN 35 -18.902 20.388 -9.772 283 H ASP 36 H ASP 36 -13.735 17.898 -11.360 284 HA ASP 36 HA ASP 36 -13.331 20.755 -11.241 285 HB2 ASP 36 2HB ASP 36 -11.842 19.419 -9.927 286 HB3 ASP 36 3HB ASP 36 -11.426 18.413 -11.313 287 H ASN 37 H ASN 37 -13.293 18.258 -13.645 288 HA ASN 37 HA ASN 37 -11.758 19.667 -15.591 289 HB2 ASN 37 2HB ASN 37 -12.109 17.180 -15.562 290 HB3 ASN 37 3HB ASN 37 -13.771 17.461 -16.073 291 HD21 ASN 37 1HD2 ASN 37 -10.635 16.927 -17.080 292 HD22 ASN 37 2HD2 ASN 37 -10.819 17.345 -18.747 293 H GLY 38 H GLY 38 -14.981 19.910 -14.488 294 HA2 GLY 38 2HA GLY 38 -16.614 21.439 -15.062 295 HA3 GLY 38 3HA GLY 38 -15.519 22.085 -16.274 296 H ILE 39 H ILE 39 -16.746 18.778 -15.954 297 HA ILE 39 HA ILE 39 -17.560 18.818 -18.733 298 HB ILE 39 HB ILE 39 -17.737 16.604 -16.686 299 HG12 ILE 39 2HG1 ILE 39 -15.429 17.216 -17.158 300 HG13 ILE 39 3HG1 ILE 39 -15.798 15.667 -17.909 301 HG21 ILE 39 1HG2 ILE 39 -19.308 15.988 -18.258 302 HG22 ILE 39 2HG2 ILE 39 -18.438 16.760 -19.583 303 HG23 ILE 39 3HG2 ILE 39 -17.847 15.243 -18.906 304 HD11 ILE 39 1HD1 ILE 39 -16.342 17.239 -19.974 305 HD12 ILE 39 2HD1 ILE 39 -15.184 18.281 -19.144 306 HD13 ILE 39 3HD1 ILE 39 -14.715 16.651 -19.632 307 H ASP 40 H ASP 40 -19.565 19.109 -19.466 308 HA ASP 40 HA ASP 40 -21.750 19.230 -17.499 309 HB2 ASP 40 2HB ASP 40 -21.479 21.343 -18.579 310 HB3 ASP 40 3HB ASP 40 -21.379 20.590 -20.169 311 H GLY 41 H GLY 41 -23.282 17.725 -17.561 312 HA2 GLY 41 2HA GLY 41 -24.681 16.730 -19.657 313 HA3 GLY 41 3HA GLY 41 -23.244 15.720 -19.639 314 H GLU 42 H GLU 42 -24.294 13.832 -19.088 315 HA GLU 42 HA GLU 42 -25.865 13.787 -16.626 316 HB2 GLU 42 2HB GLU 42 -26.543 12.616 -18.816 317 HB3 GLU 42 3HB GLU 42 -25.317 11.425 -18.408 318 HG2 GLU 42 2HG GLU 42 -26.458 10.837 -16.396 319 HG3 GLU 42 3HG GLU 42 -27.601 12.164 -16.597 320 H TRP 43 H TRP 43 -24.771 13.550 -14.796 321 HA TRP 43 HA TRP 43 -22.360 11.865 -14.794 322 HB2 TRP 43 2HB TRP 43 -21.894 13.054 -12.591 323 HB3 TRP 43 3HB TRP 43 -21.796 14.042 -14.047 324 HD1 TRP 43 HD1 TRP 43 -23.751 15.859 -14.431 325 HE1 TRP 43 HE1 TRP 43 -25.357 16.998 -12.774 326 HE3 TRP 43 HE3 TRP 43 -23.210 12.684 -10.461 327 HZ2 TRP 43 HZ2 TRP 43 -26.273 16.605 -10.133 328 HZ3 TRP 43 HZ3 TRP 43 -24.485 13.135 -8.406 329 HH2 TRP 43 HH2 TRP 43 -25.984 15.056 -8.248 330 H THR 44 H THR 44 -22.569 9.906 -13.959 331 HA THR 44 HA THR 44 -23.982 9.461 -11.495 332 HB THR 44 HB THR 44 -24.967 7.786 -13.779 333 HG1 THR 44 HG1 THR 44 -26.535 9.248 -14.234 334 HG21 THR 44 1HG2 THR 44 -26.981 8.248 -11.919 335 HG22 THR 44 2HG2 THR 44 -25.515 8.095 -10.949 336 HG23 THR 44 3HG2 THR 44 -25.983 6.800 -12.051 337 H TYR 45 H TYR 45 -23.787 7.192 -10.761 338 HA TYR 45 HA TYR 45 -21.270 6.040 -11.743 339 HB2 TYR 45 2HB TYR 45 -21.252 4.852 -9.528 340 HB3 TYR 45 3HB TYR 45 -21.155 6.606 -9.417 341 HD1 TYR 45 HD1 TYR 45 -23.007 7.901 -8.516 342 HD2 TYR 45 HD2 TYR 45 -23.227 3.660 -8.773 343 HE1 TYR 45 HE1 TYR 45 -24.943 7.916 -7.000 344 HE2 TYR 45 HE2 TYR 45 -25.165 3.662 -7.257 345 HH TYR 45 HH TYR 45 -26.342 6.662 -5.788 346 H ASP 46 H ASP 46 -21.243 4.124 -12.722 347 HA ASP 46 HA ASP 46 -23.726 2.717 -13.154 348 HB2 ASP 46 2HB ASP 46 -21.870 3.104 -14.887 349 HB3 ASP 46 3HB ASP 46 -21.004 1.806 -14.070 350 H ASP 47 H ASP 47 -24.419 1.569 -11.443 351 HA ASP 47 HA ASP 47 -22.766 0.293 -9.553 352 HB2 ASP 47 2HB ASP 47 -24.895 -0.956 -8.953 353 HB3 ASP 47 3HB ASP 47 -24.993 0.801 -8.898 354 H ALA 48 H ALA 48 -23.802 -0.633 -12.696 355 HA ALA 48 HA ALA 48 -23.825 -3.389 -12.606 356 HB1 ALA 48 1HB ALA 48 -22.977 -3.262 -14.986 357 HB2 ALA 48 2HB ALA 48 -24.433 -2.333 -14.627 358 HB3 ALA 48 3HB ALA 48 -22.876 -1.516 -14.758 359 H THR 49 H THR 49 -20.998 -1.670 -13.902 360 HA THR 49 HA THR 49 -19.289 -3.669 -12.569 361 HB THR 49 HB THR 49 -17.722 -3.514 -14.355 362 HG1 THR 49 HG1 THR 49 -17.740 -1.354 -14.870 363 HG21 THR 49 1HG2 THR 49 -19.704 -4.911 -14.806 364 HG22 THR 49 2HG2 THR 49 -19.023 -4.226 -16.283 365 HG23 THR 49 3HG2 THR 49 -20.483 -3.530 -15.578 366 H LYS 50 H LYS 50 -20.261 -0.999 -11.605 367 HA LYS 50 HA LYS 50 -19.472 0.852 -10.533 368 HB2 LYS 50 2HB LYS 50 -17.174 -1.072 -10.209 369 HB3 LYS 50 3HB LYS 50 -17.187 0.514 -9.446 370 HG2 LYS 50 2HG LYS 50 -17.965 -0.909 -7.786 371 HG3 LYS 50 3HG LYS 50 -19.438 -0.198 -8.449 372 HD2 LYS 50 2HD LYS 50 -19.908 -2.167 -9.713 373 HD3 LYS 50 3HD LYS 50 -18.324 -2.851 -9.343 374 HE2 LYS 50 2HE LYS 50 -20.355 -2.204 -7.222 375 HE3 LYS 50 3HE LYS 50 -20.290 -3.769 -8.030 376 HZ1 LYS 50 1HZ LYS 50 -18.124 -4.155 -7.188 377 HZ2 LYS 50 2HZ LYS 50 -19.067 -3.645 -5.879 378 HZ3 LYS 50 3HZ LYS 50 -17.980 -2.572 -6.607 379 H THR 51 H THR 51 -19.260 1.038 -13.291 380 HA THR 51 HA THR 51 -16.680 2.407 -13.677 381 HB THR 51 HB THR 51 -18.554 1.283 -15.768 382 HG1 THR 51 HG1 THR 51 -16.469 0.007 -16.093 383 HG21 THR 51 1HG2 THR 51 -16.233 1.767 -17.062 384 HG22 THR 51 2HG2 THR 51 -16.238 3.104 -15.913 385 HG23 THR 51 3HG2 THR 51 -17.588 2.894 -17.028 386 H PHE 52 H PHE 52 -16.874 4.528 -13.384 387 HA PHE 52 HA PHE 52 -19.354 5.918 -13.637 388 HB2 PHE 52 2HB PHE 52 -17.369 6.485 -12.100 389 HB3 PHE 52 3HB PHE 52 -16.646 7.232 -13.521 390 HD1 PHE 52 HD1 PHE 52 -17.241 9.393 -14.172 391 HD2 PHE 52 HD2 PHE 52 -19.626 7.319 -11.321 392 HE1 PHE 52 HE1 PHE 52 -18.503 11.459 -13.729 393 HE2 PHE 52 HE2 PHE 52 -20.892 9.381 -10.874 394 HZ PHE 52 HZ PHE 52 -20.331 11.454 -12.080 395 H THR 53 H THR 53 -20.261 6.412 -15.512 396 HA THR 53 HA THR 53 -18.527 7.309 -17.720 397 HB THR 53 HB THR 53 -21.084 5.736 -18.065 398 HG1 THR 53 HG1 THR 53 -18.371 4.886 -18.307 399 HG21 THR 53 1HG2 THR 53 -20.909 6.744 -20.089 400 HG22 THR 53 2HG2 THR 53 -19.721 5.472 -20.376 401 HG23 THR 53 3HG2 THR 53 -19.189 7.081 -19.890 402 H ILE 54 H ILE 54 -18.920 9.342 -18.270 403 HA ILE 54 HA ILE 54 -21.443 10.584 -17.489 404 HB ILE 54 HB ILE 54 -18.969 11.863 -18.658 405 HG12 ILE 54 2HG1 ILE 54 -19.923 11.706 -15.790 406 HG13 ILE 54 3HG1 ILE 54 -18.538 10.851 -16.460 407 HG21 ILE 54 1HG2 ILE 54 -21.610 12.838 -18.287 408 HG22 ILE 54 2HG2 ILE 54 -20.554 13.656 -17.137 409 HG23 ILE 54 3HG2 ILE 54 -20.187 13.707 -18.860 410 HD11 ILE 54 1HD1 ILE 54 -17.605 12.666 -15.359 411 HD12 ILE 54 2HD1 ILE 54 -17.643 13.178 -17.047 412 HD13 ILE 54 3HD1 ILE 54 -18.860 13.773 -15.919 413 H THR 55 H THR 55 -22.984 11.210 -18.879 414 HA THR 55 HA THR 55 -22.438 10.879 -21.758 415 HB THR 55 HB THR 55 -25.212 10.801 -21.429 416 HG1 THR 55 HG1 THR 55 -25.455 9.139 -19.856 417 HG21 THR 55 1HG2 THR 55 -25.017 8.879 -22.612 418 HG22 THR 55 2HG2 THR 55 -23.778 8.221 -21.544 419 HG23 THR 55 3HG2 THR 55 -23.343 9.406 -22.776 420 H GLU 56 H GLU 56 -22.001 12.934 -22.396 421 HA GLU 56 HA GLU 56 -23.711 15.120 -21.511 422 HB2 GLU 56 2HB GLU 56 -21.406 15.307 -23.443 423 HB3 GLU 56 3HB GLU 56 -22.109 16.590 -22.469 424 HG2 GLU 56 2HG GLU 56 -20.214 16.161 -21.283 425 HG3 GLU 56 3HG GLU 56 -21.345 15.075 -20.475 Start of MODEL 6 1 H1 MET 1 H MET 1 -12.134 -2.462 -4.080 2 HA MET 1 HA MET 1 -13.415 -3.088 -6.658 3 HB2 MET 1 2HB MET 1 -14.482 -1.192 -4.567 4 HB3 MET 1 3HB MET 1 -15.314 -1.790 -5.996 5 HG2 MET 1 2HG MET 1 -14.477 -3.453 -3.631 6 HG3 MET 1 3HG MET 1 -16.106 -2.862 -3.953 7 HE1 MET 1 1HE MET 1 -14.828 -6.499 -4.068 8 HE2 MET 1 2HE MET 1 -15.892 -5.408 -3.181 9 HE3 MET 1 3HE MET 1 -16.564 -6.522 -4.374 10 H THR 2 H THR 2 -12.615 -1.944 -8.282 11 HA THR 2 HA THR 2 -11.461 0.704 -7.723 12 HB THR 2 HB THR 2 -10.119 0.475 -9.688 13 HG1 THR 2 HG1 THR 2 -11.352 -2.032 -10.221 14 HG21 THR 2 1HG2 THR 2 -9.663 -2.279 -8.949 15 HG22 THR 2 2HG2 THR 2 -9.939 -1.281 -7.522 16 HG23 THR 2 3HG2 THR 2 -8.659 -0.860 -8.658 17 H PHE 3 H PHE 3 -12.165 2.500 -8.774 18 HA PHE 3 HA PHE 3 -14.526 2.161 -10.496 19 HB2 PHE 3 2HB PHE 3 -13.753 4.196 -8.463 20 HB3 PHE 3 3HB PHE 3 -14.699 4.742 -9.843 21 HD1 PHE 3 HD1 PHE 3 -16.944 4.890 -9.451 22 HD2 PHE 3 HD2 PHE 3 -14.725 1.810 -7.527 23 HE1 PHE 3 HE1 PHE 3 -19.000 4.099 -8.355 24 HE2 PHE 3 HE2 PHE 3 -16.777 1.013 -6.428 25 HZ PHE 3 HZ PHE 3 -18.918 2.157 -6.842 26 H LYS 4 H LYS 4 -14.445 2.799 -12.552 27 HA LYS 4 HA LYS 4 -12.115 4.383 -13.415 28 HB2 LYS 4 2HB LYS 4 -12.022 2.176 -14.366 29 HB3 LYS 4 3HB LYS 4 -13.701 2.271 -14.881 30 HG2 LYS 4 2HG LYS 4 -13.117 4.040 -16.462 31 HG3 LYS 4 3HG LYS 4 -11.433 3.945 -15.944 32 HD2 LYS 4 2HD LYS 4 -12.850 1.503 -16.942 33 HD3 LYS 4 3HD LYS 4 -12.185 2.676 -18.081 34 HE2 LYS 4 2HE LYS 4 -9.980 2.414 -17.097 35 HE3 LYS 4 3HE LYS 4 -10.629 1.305 -15.891 36 HZ1 LYS 4 1HZ LYS 4 -10.446 -0.376 -17.303 37 HZ2 LYS 4 2HZ LYS 4 -9.618 0.649 -18.364 38 HZ3 LYS 4 3HZ LYS 4 -11.290 0.450 -18.516 39 H LEU 5 H LEU 5 -12.445 6.258 -14.455 40 HA LEU 5 HA LEU 5 -15.228 7.016 -15.021 41 HB2 LEU 5 2HB LEU 5 -12.808 8.533 -14.171 42 HB3 LEU 5 3HB LEU 5 -14.052 9.365 -15.102 43 HG LEU 5 HG LEU 5 -15.694 8.897 -13.376 44 HD11 LEU 5 1HD1 LEU 5 -15.097 7.816 -11.297 45 HD12 LEU 5 2HD1 LEU 5 -13.445 7.574 -11.865 46 HD13 LEU 5 3HD1 LEU 5 -14.779 6.730 -12.650 47 HD21 LEU 5 1HD2 LEU 5 -14.931 10.428 -11.768 48 HD22 LEU 5 2HD2 LEU 5 -14.088 10.872 -13.253 49 HD23 LEU 5 3HD2 LEU 5 -13.245 9.962 -11.998 50 H ILE 6 H ILE 6 -15.848 7.238 -17.062 51 HA ILE 6 HA ILE 6 -13.797 7.771 -19.109 52 HB ILE 6 HB ILE 6 -16.168 5.921 -19.399 53 HG12 ILE 6 2HG1 ILE 6 -13.228 5.241 -19.521 54 HG13 ILE 6 3HG1 ILE 6 -14.190 5.084 -18.055 55 HG21 ILE 6 1HG2 ILE 6 -14.697 5.442 -21.576 56 HG22 ILE 6 2HG2 ILE 6 -15.979 6.651 -21.536 57 HG23 ILE 6 3HG2 ILE 6 -14.297 7.142 -21.338 58 HD11 ILE 6 1HD1 ILE 6 -14.085 3.386 -20.435 59 HD12 ILE 6 2HD1 ILE 6 -14.497 2.989 -18.766 60 HD13 ILE 6 3HD1 ILE 6 -15.708 3.709 -19.827 61 H ILE 7 H ILE 7 -14.197 9.876 -19.529 62 HA ILE 7 HA ILE 7 -16.821 10.996 -19.610 63 HB ILE 7 HB ILE 7 -14.227 12.121 -20.672 64 HG12 ILE 7 2HG1 ILE 7 -14.734 13.546 -18.451 65 HG13 ILE 7 3HG1 ILE 7 -15.484 12.024 -17.982 66 HG21 ILE 7 1HG2 ILE 7 -16.961 13.294 -20.313 67 HG22 ILE 7 2HG2 ILE 7 -15.520 14.309 -20.294 68 HG23 ILE 7 3HG2 ILE 7 -15.905 13.351 -21.724 69 HD11 ILE 7 1HD1 ILE 7 -12.893 12.625 -17.584 70 HD12 ILE 7 2HD1 ILE 7 -13.512 10.981 -17.750 71 HD13 ILE 7 3HD1 ILE 7 -12.794 11.797 -19.138 72 H ASN 8 H ASN 8 -18.178 10.217 -21.121 73 HA ASN 8 HA ASN 8 -17.265 9.662 -23.812 74 HB2 ASN 8 2HB ASN 8 -19.032 8.334 -22.460 75 HB3 ASN 8 3HB ASN 8 -20.139 9.621 -22.930 76 HD21 ASN 8 1HD2 ASN 8 -20.751 7.155 -23.713 77 HD22 ASN 8 2HD2 ASN 8 -20.475 6.947 -25.405 78 H GLY 9 H GLY 9 -16.613 11.882 -24.277 79 HA2 GLY 9 2HA GLY 9 -18.926 13.495 -25.152 80 HA3 GLY 9 3HA GLY 9 -17.546 14.238 -24.357 81 H LYS 10 H LYS 10 -18.382 15.097 -26.835 82 HA LYS 10 HA LYS 10 -16.622 13.870 -28.809 83 HB2 LYS 10 2HB LYS 10 -18.833 15.888 -28.919 84 HB3 LYS 10 3HB LYS 10 -17.679 15.791 -30.243 85 HG2 LYS 10 2HG LYS 10 -18.257 13.262 -30.222 86 HG3 LYS 10 3HG LYS 10 -19.695 13.783 -29.339 87 HD2 LYS 10 2HD LYS 10 -20.560 14.905 -31.140 88 HD3 LYS 10 3HD LYS 10 -18.971 15.226 -31.841 89 HE2 LYS 10 2HE LYS 10 -20.271 13.611 -33.166 90 HE3 LYS 10 3HE LYS 10 -18.778 12.917 -32.539 91 HZ1 LYS 10 1HZ LYS 10 -20.804 11.485 -32.339 92 HZ2 LYS 10 2HZ LYS 10 -21.397 12.580 -31.195 93 HZ3 LYS 10 3HZ LYS 10 -19.962 11.737 -30.893 94 H THR 11 H THR 11 -16.816 16.660 -26.762 95 HA THR 11 HA THR 11 -14.671 18.040 -28.166 96 HB THR 11 HB THR 11 -16.133 18.818 -25.635 97 HG1 THR 11 HG1 THR 11 -17.435 18.800 -27.564 98 HG21 THR 11 1HG2 THR 11 -15.176 21.041 -26.027 99 HG22 THR 11 2HG2 THR 11 -14.282 20.413 -27.412 100 HG23 THR 11 3HG2 THR 11 -13.913 19.834 -25.788 101 H LEU 12 H LEU 12 -15.255 16.465 -25.047 102 HA LEU 12 HA LEU 12 -12.344 16.479 -24.585 103 HB2 LEU 12 2HB LEU 12 -13.737 17.810 -22.978 104 HB3 LEU 12 3HB LEU 12 -14.491 16.297 -22.482 105 HG LEU 12 HG LEU 12 -11.525 16.532 -22.321 106 HD11 LEU 12 1HD1 LEU 12 -11.812 18.461 -21.160 107 HD12 LEU 12 2HD1 LEU 12 -12.143 17.318 -19.859 108 HD13 LEU 12 3HD1 LEU 12 -13.477 18.083 -20.721 109 HD21 LEU 12 1HD2 LEU 12 -11.835 14.558 -21.357 110 HD22 LEU 12 2HD2 LEU 12 -13.587 14.749 -21.436 111 HD23 LEU 12 3HD2 LEU 12 -12.693 15.368 -20.046 112 H LYS 13 H LYS 13 -11.388 14.601 -23.747 113 HA LYS 13 HA LYS 13 -12.973 12.221 -23.342 114 HB2 LYS 13 2HB LYS 13 -12.420 12.607 -25.903 115 HB3 LYS 13 3HB LYS 13 -10.862 11.941 -25.435 116 HG2 LYS 13 2HG LYS 13 -11.987 10.059 -26.107 117 HG3 LYS 13 3HG LYS 13 -12.296 10.049 -24.369 118 HD2 LYS 13 2HD LYS 13 -14.472 11.089 -24.739 119 HD3 LYS 13 3HD LYS 13 -14.161 11.142 -26.476 120 HE2 LYS 13 2HE LYS 13 -15.574 9.257 -25.995 121 HE3 LYS 13 3HE LYS 13 -13.981 8.669 -26.467 122 HZ1 LYS 13 1HZ LYS 13 -15.071 7.597 -24.460 123 HZ2 LYS 13 2HZ LYS 13 -14.718 9.027 -23.627 124 HZ3 LYS 13 3HZ LYS 13 -13.465 8.097 -24.280 125 H GLY 14 H GLY 14 -12.048 11.014 -21.811 126 HA2 GLY 14 2HA GLY 14 -9.158 10.831 -21.602 127 HA3 GLY 14 3HA GLY 14 -9.952 11.644 -20.261 128 H GLU 15 H GLU 15 -8.815 9.761 -19.173 129 HA GLU 15 HA GLU 15 -10.783 7.824 -18.470 130 HB2 GLU 15 2HB GLU 15 -9.922 6.849 -20.593 131 HB3 GLU 15 3HB GLU 15 -8.319 6.785 -19.877 132 HG2 GLU 15 2HG GLU 15 -9.023 5.191 -18.254 133 HG3 GLU 15 3HG GLU 15 -10.711 5.380 -18.722 134 H THR 16 H THR 16 -10.450 7.142 -16.436 135 HA THR 16 HA THR 16 -7.773 7.091 -15.307 136 HB THR 16 HB THR 16 -8.336 8.507 -13.394 137 HG1 THR 16 HG1 THR 16 -10.303 9.770 -13.549 138 HG21 THR 16 1HG2 THR 16 -8.265 10.658 -14.498 139 HG22 THR 16 2HG2 THR 16 -8.882 9.949 -15.990 140 HG23 THR 16 3HG2 THR 16 -7.279 9.508 -15.401 141 H THR 17 H THR 17 -7.621 5.906 -13.361 142 HA THR 17 HA THR 17 -9.961 4.744 -12.159 143 HB THR 17 HB THR 17 -8.064 2.754 -13.370 144 HG1 THR 17 HG1 THR 17 -8.904 3.134 -15.265 145 HG21 THR 17 1HG2 THR 17 -9.520 1.947 -11.608 146 HG22 THR 17 2HG2 THR 17 -10.043 1.280 -13.155 147 HG23 THR 17 3HG2 THR 17 -10.929 2.618 -12.427 148 H THR 18 H THR 18 -9.461 3.451 -10.282 149 HA THR 18 HA THR 18 -6.809 3.041 -9.374 150 HB THR 18 HB THR 18 -6.923 5.521 -9.137 151 HG1 THR 18 HG1 THR 18 -6.823 4.178 -6.626 152 HG21 THR 18 1HG2 THR 18 -8.513 5.570 -6.740 153 HG22 THR 18 2HG2 THR 18 -9.471 4.971 -8.094 154 HG23 THR 18 3HG2 THR 18 -8.674 6.539 -8.206 155 H GLU 19 H GLU 19 -6.745 2.261 -7.115 156 HA GLU 19 HA GLU 19 -9.168 0.757 -6.531 157 HB2 GLU 19 2HB GLU 19 -6.858 -0.290 -6.605 158 HB3 GLU 19 3HB GLU 19 -6.512 0.573 -5.113 159 HG2 GLU 19 2HG GLU 19 -8.072 -0.667 -3.895 160 HG3 GLU 19 3HG GLU 19 -8.874 -1.252 -5.351 161 H ALA 20 H ALA 20 -10.379 0.955 -4.704 162 HA ALA 20 HA ALA 20 -9.551 2.958 -2.718 163 HB1 ALA 20 1HB ALA 20 -12.278 3.257 -2.795 164 HB2 ALA 20 2HB ALA 20 -11.102 4.341 -3.540 165 HB3 ALA 20 3HB ALA 20 -11.858 3.066 -4.497 166 H VAL 21 H VAL 21 -10.545 2.721 -0.633 167 HA VAL 21 HA VAL 21 -10.595 0.133 0.352 168 HB VAL 21 HB VAL 21 -10.279 2.015 1.834 169 HG11 VAL 21 1HG1 VAL 21 -11.856 3.531 0.617 170 HG12 VAL 21 2HG1 VAL 21 -13.184 2.707 1.436 171 HG13 VAL 21 3HG1 VAL 21 -11.983 3.595 2.375 172 HG21 VAL 21 1HG2 VAL 21 -11.723 -0.208 2.424 173 HG22 VAL 21 2HG2 VAL 21 -11.189 0.981 3.613 174 HG23 VAL 21 3HG2 VAL 21 -12.823 1.066 2.953 175 H ASP 22 H ASP 22 -13.266 2.155 -0.762 176 HA ASP 22 HA ASP 22 -14.924 -0.233 -1.003 177 HB2 ASP 22 2HB ASP 22 -15.522 2.102 0.767 178 HB3 ASP 22 3HB ASP 22 -16.854 1.295 -0.055 179 H ALA 23 H ALA 23 -17.187 0.598 -1.956 180 HA ALA 23 HA ALA 23 -16.539 1.707 -4.503 181 HB1 ALA 23 1HB ALA 23 -18.255 0.275 -4.812 182 HB2 ALA 23 2HB ALA 23 -18.934 0.568 -3.211 183 HB3 ALA 23 3HB ALA 23 -19.227 1.717 -4.517 184 H ALA 24 H ALA 24 -18.734 2.836 -1.922 185 HA ALA 24 HA ALA 24 -19.368 5.307 -2.993 186 HB1 ALA 24 1HB ALA 24 -20.591 4.555 -1.118 187 HB2 ALA 24 2HB ALA 24 -19.136 4.410 -0.132 188 HB3 ALA 24 3HB ALA 24 -19.736 6.004 -0.590 189 H THR 25 H THR 25 -16.627 4.427 -0.923 190 HA THR 25 HA THR 25 -15.548 6.929 -0.461 191 HB THR 25 HB THR 25 -13.276 5.511 -0.692 192 HG1 THR 25 HG1 THR 25 -14.255 3.660 -1.544 193 HG21 THR 25 1HG2 THR 25 -13.346 5.719 1.528 194 HG22 THR 25 2HG2 THR 25 -14.670 4.560 1.648 195 HG23 THR 25 3HG2 THR 25 -15.015 6.265 1.365 196 H ALA 26 H ALA 26 -15.218 4.857 -3.298 197 HA ALA 26 HA ALA 26 -13.365 6.659 -4.590 198 HB1 ALA 26 1HB ALA 26 -12.849 4.832 -5.733 199 HB2 ALA 26 2HB ALA 26 -14.151 3.957 -4.926 200 HB3 ALA 26 3HB ALA 26 -14.465 4.805 -6.439 201 H GLU 27 H GLU 27 -16.792 6.118 -4.508 202 HA GLU 27 HA GLU 27 -17.422 7.444 -6.950 203 HB2 GLU 27 2HB GLU 27 -19.029 5.916 -6.057 204 HB3 GLU 27 3HB GLU 27 -19.067 6.759 -4.515 205 HG2 GLU 27 2HG GLU 27 -21.051 7.155 -5.952 206 HG3 GLU 27 3HG GLU 27 -20.197 8.621 -5.473 207 H LYS 28 H LYS 28 -16.918 8.472 -3.653 208 HA LYS 28 HA LYS 28 -17.990 11.113 -4.063 209 HB2 LYS 28 2HB LYS 28 -17.068 11.568 -1.806 210 HB3 LYS 28 3HB LYS 28 -18.106 10.149 -1.849 211 HG2 LYS 28 2HG LYS 28 -16.170 8.694 -1.853 212 HG3 LYS 28 3HG LYS 28 -15.095 10.094 -1.902 213 HD2 LYS 28 2HD LYS 28 -16.458 10.763 0.264 214 HD3 LYS 28 3HD LYS 28 -16.727 9.020 0.343 215 HE2 LYS 28 2HE LYS 28 -14.422 8.570 0.499 216 HE3 LYS 28 3HE LYS 28 -13.986 10.199 -0.013 217 HZ1 LYS 28 1HZ LYS 28 -13.989 9.429 2.519 218 HZ2 LYS 28 2HZ LYS 28 -15.580 9.992 2.412 219 HZ3 LYS 28 3HZ LYS 28 -14.291 11.025 2.047 220 H VAL 29 H VAL 29 -14.817 9.597 -4.058 221 HA VAL 29 HA VAL 29 -13.344 12.039 -4.212 222 HB VAL 29 HB VAL 29 -12.493 9.236 -4.956 223 HG11 VAL 29 1HG1 VAL 29 -10.782 10.362 -5.894 224 HG12 VAL 29 2HG1 VAL 29 -11.117 11.839 -4.988 225 HG13 VAL 29 3HG1 VAL 29 -10.229 10.518 -4.227 226 HG21 VAL 29 1HG2 VAL 29 -12.166 8.803 -2.791 227 HG22 VAL 29 2HG2 VAL 29 -11.412 10.372 -2.509 228 HG23 VAL 29 3HG2 VAL 29 -13.169 10.218 -2.464 229 H PHE 30 H PHE 30 -14.171 9.535 -6.609 230 HA PHE 30 HA PHE 30 -13.026 10.854 -8.816 231 HB2 PHE 30 2HB PHE 30 -15.030 8.658 -8.481 232 HB3 PHE 30 3HB PHE 30 -14.800 9.370 -10.076 233 HD1 PHE 30 HD1 PHE 30 -13.984 6.633 -8.312 234 HD2 PHE 30 HD2 PHE 30 -12.038 9.787 -10.406 235 HE1 PHE 30 HE1 PHE 30 -12.027 5.185 -8.669 236 HE2 PHE 30 HE2 PHE 30 -10.079 8.343 -10.767 237 HZ PHE 30 HZ PHE 30 -10.072 6.039 -9.900 238 H LYS 31 H LYS 31 -15.854 11.492 -7.043 239 HA LYS 31 HA LYS 31 -17.541 12.567 -9.009 240 HB2 LYS 31 2HB LYS 31 -18.290 12.077 -6.725 241 HB3 LYS 31 3HB LYS 31 -17.258 13.359 -6.103 242 HG2 LYS 31 2HG LYS 31 -19.270 14.062 -8.171 243 HG3 LYS 31 3HG LYS 31 -19.832 13.729 -6.531 244 HD2 LYS 31 2HD LYS 31 -17.954 15.368 -5.820 245 HD3 LYS 31 3HD LYS 31 -18.005 15.894 -7.505 246 HE2 LYS 31 2HE LYS 31 -20.355 16.438 -7.296 247 HE3 LYS 31 3HE LYS 31 -20.381 15.812 -5.648 248 HZ1 LYS 31 1HZ LYS 31 -18.371 17.820 -6.074 249 HZ2 LYS 31 2HZ LYS 31 -19.533 17.697 -4.851 250 HZ3 LYS 31 3HZ LYS 31 -19.942 18.391 -6.339 251 H GLN 32 H GLN 32 -14.943 14.031 -7.110 252 HA GLN 32 HA GLN 32 -15.349 16.612 -8.377 253 HB2 GLN 32 2HB GLN 32 -14.571 16.076 -5.911 254 HB3 GLN 32 3HB GLN 32 -12.981 16.005 -6.659 255 HG2 GLN 32 2HG GLN 32 -13.242 18.197 -5.845 256 HG3 GLN 32 3HG GLN 32 -13.434 18.290 -7.595 257 HE21 GLN 32 1HE2 GLN 32 -15.538 17.556 -4.828 258 HE22 GLN 32 2HE2 GLN 32 -16.801 18.643 -5.283 259 H TYR 33 H TYR 33 -13.443 13.788 -8.812 260 HA TYR 33 HA TYR 33 -11.138 14.713 -10.003 261 HB2 TYR 33 2HB TYR 33 -12.761 12.244 -10.228 262 HB3 TYR 33 3HB TYR 33 -11.609 12.537 -11.526 263 HD1 TYR 33 HD1 TYR 33 -11.316 13.303 -7.891 264 HD2 TYR 33 HD2 TYR 33 -9.903 10.990 -11.171 265 HE1 TYR 33 HE1 TYR 33 -9.508 12.414 -6.479 266 HE2 TYR 33 HE2 TYR 33 -8.093 10.095 -9.768 267 HH TYR 33 HH TYR 33 -7.605 9.754 -7.387 268 H PHE 34 H PHE 34 -14.119 13.792 -11.735 269 HA PHE 34 HA PHE 34 -13.229 14.973 -14.182 270 HB2 PHE 34 2HB PHE 34 -15.289 14.256 -15.107 271 HB3 PHE 34 3HB PHE 34 -14.848 13.019 -13.936 272 HD1 PHE 34 HD1 PHE 34 -17.141 15.767 -14.690 273 HD2 PHE 34 HD2 PHE 34 -16.121 12.702 -11.918 274 HE1 PHE 34 HE1 PHE 34 -19.320 16.047 -13.583 275 HE2 PHE 34 HE2 PHE 34 -18.299 12.977 -10.807 276 HZ PHE 34 HZ PHE 34 -19.902 14.651 -11.639 277 H ASN 35 H ASN 35 -14.929 16.095 -11.405 278 HA ASN 35 HA ASN 35 -16.477 18.158 -12.383 279 HB2 ASN 35 2HB ASN 35 -16.305 17.402 -9.986 280 HB3 ASN 35 3HB ASN 35 -14.808 18.322 -9.867 281 HD21 ASN 35 1HD2 ASN 35 -14.918 20.620 -10.224 282 HD22 ASN 35 2HD2 ASN 35 -16.369 21.474 -9.836 283 H ASP 36 H ASP 36 -13.010 17.964 -12.074 284 HA ASP 36 HA ASP 36 -12.326 20.661 -12.226 285 HB2 ASP 36 2HB ASP 36 -10.597 19.111 -11.739 286 HB3 ASP 36 3HB ASP 36 -10.924 18.174 -13.194 287 H ASN 37 H ASN 37 -12.967 18.332 -14.821 288 HA ASN 37 HA ASN 37 -12.442 20.181 -16.926 289 HB2 ASN 37 2HB ASN 37 -14.070 17.634 -17.047 290 HB3 ASN 37 3HB ASN 37 -13.323 18.474 -18.403 291 HD21 ASN 37 1HD2 ASN 37 -13.007 15.733 -17.247 292 HD22 ASN 37 2HD2 ASN 37 -11.305 15.553 -17.012 293 H GLY 38 H GLY 38 -15.098 19.652 -14.846 294 HA2 GLY 38 2HA GLY 38 -17.184 20.600 -14.724 295 HA3 GLY 38 3HA GLY 38 -16.548 21.858 -15.773 296 H ILE 39 H ILE 39 -16.926 18.415 -16.495 297 HA ILE 39 HA ILE 39 -18.077 18.903 -19.025 298 HB ILE 39 HB ILE 39 -18.161 16.369 -17.383 299 HG12 ILE 39 2HG1 ILE 39 -15.873 17.102 -17.770 300 HG13 ILE 39 3HG1 ILE 39 -16.224 15.698 -18.771 301 HG21 ILE 39 1HG2 ILE 39 -18.886 16.999 -20.214 302 HG22 ILE 39 2HG2 ILE 39 -18.293 15.396 -19.784 303 HG23 ILE 39 3HG2 ILE 39 -19.754 16.028 -19.025 304 HD11 ILE 39 1HD1 ILE 39 -15.397 18.350 -19.537 305 HD12 ILE 39 2HD1 ILE 39 -15.429 16.860 -20.479 306 HD13 ILE 39 3HD1 ILE 39 -16.874 17.865 -20.371 307 H ASP 40 H ASP 40 -20.153 18.957 -19.727 308 HA ASP 40 HA ASP 40 -22.243 18.907 -17.654 309 HB2 ASP 40 2HB ASP 40 -21.862 21.087 -18.829 310 HB3 ASP 40 3HB ASP 40 -22.344 20.306 -20.332 311 H GLY 41 H GLY 41 -23.722 17.349 -17.746 312 HA2 GLY 41 2HA GLY 41 -25.162 16.419 -19.848 313 HA3 GLY 41 3HA GLY 41 -23.688 15.465 -19.932 314 H GLU 42 H GLU 42 -24.608 13.506 -19.435 315 HA GLU 42 HA GLU 42 -26.160 13.254 -16.983 316 HB2 GLU 42 2HB GLU 42 -26.697 12.085 -19.217 317 HB3 GLU 42 3HB GLU 42 -25.383 10.992 -18.808 318 HG2 GLU 42 2HG GLU 42 -26.575 10.533 -16.646 319 HG3 GLU 42 3HG GLU 42 -27.943 11.433 -17.301 320 H TRP 43 H TRP 43 -24.935 13.257 -15.197 321 HA TRP 43 HA TRP 43 -22.497 11.609 -15.171 322 HB2 TRP 43 2HB TRP 43 -21.950 12.958 -13.089 323 HB3 TRP 43 3HB TRP 43 -21.946 13.850 -14.609 324 HD1 TRP 43 HD1 TRP 43 -23.972 15.591 -15.013 325 HE1 TRP 43 HE1 TRP 43 -25.510 16.811 -13.349 326 HE3 TRP 43 HE3 TRP 43 -23.129 12.719 -10.868 327 HZ2 TRP 43 HZ2 TRP 43 -26.266 16.587 -10.638 328 HZ3 TRP 43 HZ3 TRP 43 -24.299 13.289 -8.780 329 HH2 TRP 43 HH2 TRP 43 -25.834 15.184 -8.670 330 H THR 44 H THR 44 -22.682 9.701 -14.222 331 HA THR 44 HA THR 44 -23.947 9.414 -11.659 332 HB THR 44 HB THR 44 -25.306 7.372 -12.752 333 HG1 THR 44 HG1 THR 44 -25.904 7.760 -14.782 334 HG21 THR 44 1HG2 THR 44 -26.663 10.004 -12.984 335 HG22 THR 44 2HG2 THR 44 -25.982 9.577 -11.414 336 HG23 THR 44 3HG2 THR 44 -27.184 8.529 -12.169 337 H TYR 45 H TYR 45 -23.797 7.126 -10.868 338 HA TYR 45 HA TYR 45 -21.316 5.927 -11.885 339 HB2 TYR 45 2HB TYR 45 -21.296 4.769 -9.633 340 HB3 TYR 45 3HB TYR 45 -21.098 6.517 -9.588 341 HD1 TYR 45 HD1 TYR 45 -23.325 3.718 -8.799 342 HD2 TYR 45 HD2 TYR 45 -22.837 7.943 -8.672 343 HE1 TYR 45 HE1 TYR 45 -25.214 3.884 -7.232 344 HE2 TYR 45 HE2 TYR 45 -24.724 8.119 -7.104 345 HH TYR 45 HH TYR 45 -26.924 5.728 -6.599 346 H ASP 46 H ASP 46 -21.346 4.007 -12.849 347 HA ASP 46 HA ASP 46 -23.838 2.623 -13.221 348 HB2 ASP 46 2HB ASP 46 -21.046 1.850 -14.097 349 HB3 ASP 46 3HB ASP 46 -22.546 1.120 -14.663 350 H ASP 47 H ASP 47 -24.594 1.534 -11.504 351 HA ASP 47 HA ASP 47 -23.015 0.308 -9.521 352 HB2 ASP 47 2HB ASP 47 -25.481 0.993 -9.397 353 HB3 ASP 47 3HB ASP 47 -25.827 -0.530 -10.211 354 H ALA 48 H ALA 48 -23.964 -0.719 -12.660 355 HA ALA 48 HA ALA 48 -24.027 -3.470 -12.472 356 HB1 ALA 48 1HB ALA 48 -24.558 -2.601 -14.560 357 HB2 ALA 48 2HB ALA 48 -23.089 -1.627 -14.638 358 HB3 ALA 48 3HB ALA 48 -22.998 -3.378 -14.833 359 H THR 49 H THR 49 -21.137 -1.834 -13.736 360 HA THR 49 HA THR 49 -19.500 -3.818 -12.297 361 HB THR 49 HB THR 49 -17.853 -3.680 -14.023 362 HG1 THR 49 HG1 THR 49 -17.898 -2.149 -15.607 363 HG21 THR 49 1HG2 THR 49 -19.153 -4.349 -16.035 364 HG22 THR 49 2HG2 THR 49 -20.624 -3.828 -15.214 365 HG23 THR 49 3HG2 THR 49 -19.677 -5.165 -14.562 366 H LYS 50 H LYS 50 -20.484 -1.095 -11.447 367 HA LYS 50 HA LYS 50 -19.716 0.767 -10.383 368 HB2 LYS 50 2HB LYS 50 -17.455 -1.167 -9.883 369 HB3 LYS 50 3HB LYS 50 -17.535 0.421 -9.132 370 HG2 LYS 50 2HG LYS 50 -18.484 -0.837 -7.493 371 HG3 LYS 50 3HG LYS 50 -19.928 -0.413 -8.414 372 HD2 LYS 50 2HD LYS 50 -19.797 -2.551 -9.601 373 HD3 LYS 50 3HD LYS 50 -18.351 -2.973 -8.680 374 HE2 LYS 50 2HE LYS 50 -21.061 -2.407 -7.482 375 HE3 LYS 50 3HE LYS 50 -20.414 -4.017 -7.796 376 HZ1 LYS 50 1HZ LYS 50 -19.864 -2.224 -5.631 377 HZ2 LYS 50 2HZ LYS 50 -18.451 -2.796 -6.364 378 HZ3 LYS 50 3HZ LYS 50 -19.586 -3.889 -5.749 379 H THR 51 H THR 51 -19.412 1.019 -13.063 380 HA THR 51 HA THR 51 -16.770 2.298 -13.347 381 HB THR 51 HB THR 51 -18.486 1.149 -15.558 382 HG1 THR 51 HG1 THR 51 -17.170 -0.256 -13.980 383 HG21 THR 51 1HG2 THR 51 -17.313 2.694 -16.734 384 HG22 THR 51 2HG2 THR 51 -16.044 1.473 -16.640 385 HG23 THR 51 3HG2 THR 51 -16.053 2.826 -15.510 386 H PHE 52 H PHE 52 -16.966 4.429 -13.175 387 HA PHE 52 HA PHE 52 -19.431 5.799 -13.664 388 HB2 PHE 52 2HB PHE 52 -17.562 6.408 -11.983 389 HB3 PHE 52 3HB PHE 52 -16.763 7.154 -13.362 390 HD1 PHE 52 HD1 PHE 52 -17.477 9.239 -14.214 391 HD2 PHE 52 HD2 PHE 52 -19.772 7.247 -11.234 392 HE1 PHE 52 HE1 PHE 52 -18.814 11.279 -13.886 393 HE2 PHE 52 HE2 PHE 52 -21.113 9.282 -10.902 394 HZ PHE 52 HZ PHE 52 -20.636 11.302 -12.228 395 H THR 53 H THR 53 -20.055 6.987 -15.391 396 HA THR 53 HA THR 53 -18.190 7.677 -17.493 397 HB THR 53 HB THR 53 -20.516 5.856 -18.140 398 HG1 THR 53 HG1 THR 53 -18.965 4.271 -18.448 399 HG21 THR 53 1HG2 THR 53 -18.361 6.245 -20.090 400 HG22 THR 53 2HG2 THR 53 -19.304 7.698 -19.754 401 HG23 THR 53 3HG2 THR 53 -20.110 6.233 -20.319 402 H ILE 54 H ILE 54 -18.741 9.590 -18.311 403 HA ILE 54 HA ILE 54 -21.362 10.691 -17.666 404 HB ILE 54 HB ILE 54 -18.948 12.027 -18.897 405 HG12 ILE 54 2HG1 ILE 54 -20.044 12.237 -16.086 406 HG13 ILE 54 3HG1 ILE 54 -18.665 11.242 -16.540 407 HG21 ILE 54 1HG2 ILE 54 -20.456 13.559 -19.520 408 HG22 ILE 54 2HG2 ILE 54 -21.705 12.898 -18.464 409 HG23 ILE 54 3HG2 ILE 54 -20.491 14.000 -17.814 410 HD11 ILE 54 1HD1 ILE 54 -17.855 13.269 -15.595 411 HD12 ILE 54 2HD1 ILE 54 -17.529 13.308 -17.328 412 HD13 ILE 54 3HD1 ILE 54 -18.872 14.236 -16.663 413 H THR 55 H THR 55 -22.860 11.353 -19.152 414 HA THR 55 HA THR 55 -22.275 10.798 -21.985 415 HB THR 55 HB THR 55 -25.041 10.410 -21.609 416 HG1 THR 55 HG1 THR 55 -24.627 8.455 -20.115 417 HG21 THR 55 1HG2 THR 55 -24.649 8.523 -22.810 418 HG22 THR 55 2HG2 THR 55 -23.281 8.040 -21.807 419 HG23 THR 55 3HG2 THR 55 -23.073 9.278 -23.046 420 H GLU 56 H GLU 56 -22.084 12.860 -22.712 421 HA GLU 56 HA GLU 56 -23.947 14.913 -21.893 422 HB2 GLU 56 2HB GLU 56 -21.867 15.104 -24.070 423 HB3 GLU 56 3HB GLU 56 -22.615 16.422 -23.179 424 HG2 GLU 56 2HG GLU 56 -21.529 15.512 -21.111 425 HG3 GLU 56 3HG GLU 56 -20.637 14.407 -22.155 Start of MODEL 7 1 H1 MET 1 H MET 1 -11.684 -1.064 -3.751 2 HA MET 1 HA MET 1 -13.016 -2.598 -5.756 3 HB2 MET 1 2HB MET 1 -14.896 -1.836 -4.224 4 HB3 MET 1 3HB MET 1 -14.536 -0.196 -4.748 5 HG2 MET 1 2HG MET 1 -16.274 -0.819 -6.133 6 HG3 MET 1 3HG MET 1 -14.849 -1.113 -7.127 7 HE1 MET 1 1HE MET 1 -17.419 -2.462 -4.769 8 HE2 MET 1 2HE MET 1 -17.656 -4.151 -5.217 9 HE3 MET 1 3HE MET 1 -16.297 -3.693 -4.189 10 H THR 2 H THR 2 -12.773 -1.721 -7.788 11 HA THR 2 HA THR 2 -11.182 0.755 -7.903 12 HB THR 2 HB THR 2 -10.196 -0.025 -9.934 13 HG1 THR 2 HG1 THR 2 -11.396 -1.240 -11.175 14 HG21 THR 2 1HG2 THR 2 -9.792 -1.258 -7.537 15 HG22 THR 2 2HG2 THR 2 -8.814 -1.527 -8.980 16 HG23 THR 2 3HG2 THR 2 -10.130 -2.633 -8.588 17 H PHE 3 H PHE 3 -11.931 2.476 -8.979 18 HA PHE 3 HA PHE 3 -14.483 2.185 -10.405 19 HB2 PHE 3 2HB PHE 3 -13.270 4.332 -8.756 20 HB3 PHE 3 3HB PHE 3 -14.236 4.852 -10.133 21 HD1 PHE 3 HD1 PHE 3 -14.383 2.546 -7.212 22 HD2 PHE 3 HD2 PHE 3 -16.512 5.089 -9.879 23 HE1 PHE 3 HE1 PHE 3 -16.433 2.205 -5.894 24 HE2 PHE 3 HE2 PHE 3 -18.565 4.754 -8.565 25 HZ PHE 3 HZ PHE 3 -18.527 3.312 -6.569 26 H LYS 4 H LYS 4 -14.728 2.840 -12.490 27 HA LYS 4 HA LYS 4 -12.279 3.705 -13.884 28 HB2 LYS 4 2HB LYS 4 -13.107 1.468 -14.536 29 HB3 LYS 4 3HB LYS 4 -14.646 2.184 -14.998 30 HG2 LYS 4 2HG LYS 4 -13.499 3.518 -16.706 31 HG3 LYS 4 3HG LYS 4 -11.971 2.760 -16.257 32 HD2 LYS 4 2HD LYS 4 -14.285 1.025 -16.982 33 HD3 LYS 4 3HD LYS 4 -13.396 1.844 -18.268 34 HE2 LYS 4 2HE LYS 4 -12.042 0.191 -16.152 35 HE3 LYS 4 3HE LYS 4 -12.626 -0.497 -17.666 36 HZ1 LYS 4 1HZ LYS 4 -10.247 0.963 -17.168 37 HZ2 LYS 4 2HZ LYS 4 -11.162 1.732 -18.365 38 HZ3 LYS 4 3HZ LYS 4 -10.708 0.115 -18.558 39 H LEU 5 H LEU 5 -12.357 5.825 -14.249 40 HA LEU 5 HA LEU 5 -14.896 7.165 -14.688 41 HB2 LEU 5 2HB LEU 5 -12.673 7.935 -13.394 42 HB3 LEU 5 3HB LEU 5 -12.354 8.642 -14.977 43 HG LEU 5 HG LEU 5 -14.786 9.191 -13.276 44 HD11 LEU 5 1HD1 LEU 5 -12.718 11.230 -13.910 45 HD12 LEU 5 2HD1 LEU 5 -12.387 10.062 -12.631 46 HD13 LEU 5 3HD1 LEU 5 -13.802 11.109 -12.524 47 HD21 LEU 5 1HD2 LEU 5 -14.793 11.168 -15.023 48 HD22 LEU 5 2HD2 LEU 5 -15.564 9.622 -15.380 49 HD23 LEU 5 3HD2 LEU 5 -13.958 9.978 -16.022 50 H ILE 6 H ILE 6 -15.742 7.314 -16.648 51 HA ILE 6 HA ILE 6 -13.925 7.608 -18.948 52 HB ILE 6 HB ILE 6 -16.530 6.082 -18.968 53 HG12 ILE 6 2HG1 ILE 6 -13.696 5.034 -19.127 54 HG13 ILE 6 3HG1 ILE 6 -14.730 4.926 -17.707 55 HG21 ILE 6 1HG2 ILE 6 -15.985 7.185 -21.087 56 HG22 ILE 6 2HG2 ILE 6 -14.411 6.389 -21.091 57 HG23 ILE 6 3HG2 ILE 6 -15.884 5.429 -21.222 58 HD11 ILE 6 1HD1 ILE 6 -15.391 2.960 -18.477 59 HD12 ILE 6 2HD1 ILE 6 -16.242 3.828 -19.755 60 HD13 ILE 6 3HD1 ILE 6 -14.606 3.231 -20.032 61 H ILE 7 H ILE 7 -14.254 9.402 -20.076 62 HA ILE 7 HA ILE 7 -16.769 10.866 -19.686 63 HB ILE 7 HB ILE 7 -14.175 11.887 -20.845 64 HG12 ILE 7 2HG1 ILE 7 -14.346 13.184 -18.523 65 HG13 ILE 7 3HG1 ILE 7 -15.219 11.728 -18.057 66 HG21 ILE 7 1HG2 ILE 7 -15.198 14.106 -20.425 67 HG22 ILE 7 2HG2 ILE 7 -16.062 13.152 -21.629 68 HG23 ILE 7 3HG2 ILE 7 -16.700 13.292 -19.990 69 HD11 ILE 7 1HD1 ILE 7 -13.367 10.403 -18.216 70 HD12 ILE 7 2HD1 ILE 7 -12.586 11.446 -19.405 71 HD13 ILE 7 3HD1 ILE 7 -12.637 11.926 -17.709 72 H ASN 8 H ASN 8 -18.236 10.451 -21.203 73 HA ASN 8 HA ASN 8 -17.376 9.868 -23.935 74 HB2 ASN 8 2HB ASN 8 -20.070 9.625 -22.581 75 HB3 ASN 8 3HB ASN 8 -19.779 9.250 -24.277 76 HD21 ASN 8 1HD2 ASN 8 -20.793 7.259 -22.992 77 HD22 ASN 8 2HD2 ASN 8 -19.625 6.061 -22.564 78 H GLY 9 H GLY 9 -16.710 12.160 -24.179 79 HA2 GLY 9 2HA GLY 9 -19.021 13.772 -25.051 80 HA3 GLY 9 3HA GLY 9 -17.730 14.496 -24.105 81 H LYS 10 H LYS 10 -18.555 15.370 -26.671 82 HA LYS 10 HA LYS 10 -16.685 14.395 -28.627 83 HB2 LYS 10 2HB LYS 10 -19.058 15.524 -28.927 84 HB3 LYS 10 3HB LYS 10 -18.106 17.003 -28.943 85 HG2 LYS 10 2HG LYS 10 -16.901 16.313 -30.861 86 HG3 LYS 10 3HG LYS 10 -17.539 14.672 -30.753 87 HD2 LYS 10 2HD LYS 10 -19.851 15.863 -30.989 88 HD3 LYS 10 3HD LYS 10 -18.888 17.180 -31.661 89 HE2 LYS 10 2HE LYS 10 -17.846 15.281 -33.120 90 HE3 LYS 10 3HE LYS 10 -19.325 14.417 -32.708 91 HZ1 LYS 10 1HZ LYS 10 -20.634 16.087 -33.715 92 HZ2 LYS 10 2HZ LYS 10 -19.402 15.727 -34.818 93 HZ3 LYS 10 3HZ LYS 10 -19.317 17.136 -33.885 94 H THR 11 H THR 11 -16.760 16.906 -26.244 95 HA THR 11 HA THR 11 -14.782 18.604 -27.334 96 HB THR 11 HB THR 11 -15.380 18.203 -24.399 97 HG1 THR 11 HG1 THR 11 -17.087 19.526 -24.660 98 HG21 THR 11 1HG2 THR 11 -13.733 19.710 -24.197 99 HG22 THR 11 2HG2 THR 11 -14.873 20.872 -24.876 100 HG23 THR 11 3HG2 THR 11 -13.720 20.050 -25.928 101 H LEU 12 H LEU 12 -14.580 16.004 -24.912 102 HA LEU 12 HA LEU 12 -11.826 15.507 -25.715 103 HB2 LEU 12 2HB LEU 12 -10.879 15.722 -23.582 104 HB3 LEU 12 3HB LEU 12 -11.848 17.175 -23.814 105 HG LEU 12 HG LEU 12 -13.646 15.706 -22.510 106 HD11 LEU 12 1HD1 LEU 12 -12.668 13.740 -21.967 107 HD12 LEU 12 2HD1 LEU 12 -12.076 14.690 -20.605 108 HD13 LEU 12 3HD1 LEU 12 -11.037 14.412 -22.002 109 HD21 LEU 12 1HD2 LEU 12 -12.683 16.744 -20.389 110 HD22 LEU 12 2HD2 LEU 12 -13.075 17.838 -21.717 111 HD23 LEU 12 3HD2 LEU 12 -11.400 17.375 -21.421 112 H LYS 13 H LYS 13 -10.959 13.546 -24.438 113 HA LYS 13 HA LYS 13 -12.972 11.694 -23.505 114 HB2 LYS 13 2HB LYS 13 -12.784 11.645 -26.130 115 HB3 LYS 13 3HB LYS 13 -11.327 10.715 -25.806 116 HG2 LYS 13 2HG LYS 13 -12.815 9.012 -25.970 117 HG3 LYS 13 3HG LYS 13 -12.981 9.358 -24.246 118 HD2 LYS 13 2HD LYS 13 -15.187 9.305 -24.893 119 HD3 LYS 13 3HD LYS 13 -14.830 11.024 -25.075 120 HE2 LYS 13 2HE LYS 13 -14.416 9.178 -27.385 121 HE3 LYS 13 3HE LYS 13 -16.047 9.711 -26.982 122 HZ1 LYS 13 1HZ LYS 13 -15.595 11.518 -28.164 123 HZ2 LYS 13 2HZ LYS 13 -13.950 11.142 -28.275 124 HZ3 LYS 13 3HZ LYS 13 -14.535 11.992 -26.934 125 H GLY 14 H GLY 14 -12.034 10.975 -21.709 126 HA2 GLY 14 2HA GLY 14 -9.221 10.091 -21.885 127 HA3 GLY 14 3HA GLY 14 -9.809 11.004 -20.503 128 H GLU 15 H GLU 15 -8.769 8.913 -19.590 129 HA GLU 15 HA GLU 15 -10.901 7.301 -18.605 130 HB2 GLU 15 2HB GLU 15 -10.526 6.252 -20.834 131 HB3 GLU 15 3HB GLU 15 -8.869 5.906 -20.356 132 HG2 GLU 15 2HG GLU 15 -9.483 4.254 -18.900 133 HG3 GLU 15 3HG GLU 15 -11.081 4.940 -18.621 134 H THR 16 H THR 16 -10.399 6.745 -16.590 135 HA THR 16 HA THR 16 -7.627 6.157 -15.883 136 HB THR 16 HB THR 16 -7.534 7.669 -14.040 137 HG1 THR 16 HG1 THR 16 -10.034 8.812 -14.634 138 HG21 THR 16 1HG2 THR 16 -8.711 9.240 -16.333 139 HG22 THR 16 2HG2 THR 16 -7.067 8.600 -16.319 140 HG23 THR 16 3HG2 THR 16 -7.554 9.806 -15.127 141 H THR 17 H THR 17 -7.392 4.968 -13.936 142 HA THR 17 HA THR 17 -9.789 4.110 -12.537 143 HB THR 17 HB THR 17 -8.015 1.954 -13.649 144 HG1 THR 17 HG1 THR 17 -10.433 2.851 -14.858 145 HG21 THR 17 1HG2 THR 17 -10.931 1.868 -12.892 146 HG22 THR 17 2HG2 THR 17 -9.630 1.564 -11.739 147 HG23 THR 17 3HG2 THR 17 -9.830 0.513 -13.141 148 H THR 18 H THR 18 -9.385 3.214 -10.507 149 HA THR 18 HA THR 18 -6.831 2.458 -9.570 150 HB THR 18 HB THR 18 -6.311 4.838 -9.754 151 HG1 THR 18 HG1 THR 18 -5.255 4.019 -8.040 152 HG21 THR 18 1HG2 THR 18 -7.545 6.365 -8.081 153 HG22 THR 18 2HG2 THR 18 -8.810 5.136 -8.117 154 HG23 THR 18 3HG2 THR 18 -8.349 5.973 -9.599 155 H GLU 19 H GLU 19 -6.891 1.643 -7.473 156 HA GLU 19 HA GLU 19 -9.540 1.065 -6.483 157 HB2 GLU 19 2HB GLU 19 -7.501 -0.527 -6.574 158 HB3 GLU 19 3HB GLU 19 -6.983 0.291 -5.106 159 HG2 GLU 19 2HG GLU 19 -8.759 -0.523 -3.868 160 HG3 GLU 19 3HG GLU 19 -9.733 -0.859 -5.299 161 H ALA 20 H ALA 20 -10.216 1.422 -4.291 162 HA ALA 20 HA ALA 20 -8.824 3.599 -2.895 163 HB1 ALA 20 1HB ALA 20 -11.815 3.580 -3.178 164 HB2 ALA 20 2HB ALA 20 -10.771 4.885 -2.615 165 HB3 ALA 20 3HB ALA 20 -10.765 4.423 -4.317 166 H VAL 21 H VAL 21 -9.968 3.950 -0.669 167 HA VAL 21 HA VAL 21 -9.600 1.645 0.860 168 HB VAL 21 HB VAL 21 -9.430 3.834 1.871 169 HG11 VAL 21 1HG1 VAL 21 -11.316 5.282 2.224 170 HG12 VAL 21 2HG1 VAL 21 -11.208 4.903 0.504 171 HG13 VAL 21 3HG1 VAL 21 -12.411 4.099 1.512 172 HG21 VAL 21 1HG2 VAL 21 -10.354 1.714 3.118 173 HG22 VAL 21 2HG2 VAL 21 -10.289 3.280 3.927 174 HG23 VAL 21 3HG2 VAL 21 -11.812 2.697 3.255 175 H ASP 22 H ASP 22 -12.544 3.079 -0.456 176 HA ASP 22 HA ASP 22 -13.908 0.543 -0.223 177 HB2 ASP 22 2HB ASP 22 -14.757 2.955 1.374 178 HB3 ASP 22 3HB ASP 22 -15.890 1.678 0.939 179 H ALA 23 H ALA 23 -15.914 0.486 -1.403 180 HA ALA 23 HA ALA 23 -15.832 1.791 -3.858 181 HB1 ALA 23 1HB ALA 23 -17.063 -0.159 -3.883 182 HB2 ALA 23 2HB ALA 23 -17.949 0.255 -2.415 183 HB3 ALA 23 3HB ALA 23 -18.329 1.068 -3.933 184 H ALA 24 H ALA 24 -18.093 2.388 -1.161 185 HA ALA 24 HA ALA 24 -19.368 4.611 -2.262 186 HB1 ALA 24 1HB ALA 24 -20.564 4.442 -0.403 187 HB2 ALA 24 2HB ALA 24 -19.441 3.208 0.172 188 HB3 ALA 24 3HB ALA 24 -19.174 4.902 0.580 189 H THR 25 H THR 25 -16.258 4.311 -0.765 190 HA THR 25 HA THR 25 -15.923 7.112 -0.218 191 HB THR 25 HB THR 25 -13.818 4.947 -0.377 192 HG1 THR 25 HG1 THR 25 -15.632 4.787 1.242 193 HG21 THR 25 1HG2 THR 25 -13.627 7.774 -0.055 194 HG22 THR 25 2HG2 THR 25 -12.338 6.572 -0.019 195 HG23 THR 25 3HG2 THR 25 -13.181 7.005 1.467 196 H ALA 26 H ALA 26 -15.150 4.925 -2.845 197 HA ALA 26 HA ALA 26 -13.513 6.857 -4.234 198 HB1 ALA 26 1HB ALA 26 -12.727 4.887 -4.950 199 HB2 ALA 26 2HB ALA 26 -14.225 4.039 -4.565 200 HB3 ALA 26 3HB ALA 26 -14.079 4.930 -6.081 201 H GLU 27 H GLU 27 -16.849 5.931 -4.142 202 HA GLU 27 HA GLU 27 -17.634 6.888 -6.683 203 HB2 GLU 27 2HB GLU 27 -19.026 5.376 -5.328 204 HB3 GLU 27 3HB GLU 27 -19.260 6.655 -4.146 205 HG2 GLU 27 2HG GLU 27 -20.042 7.068 -6.998 206 HG3 GLU 27 3HG GLU 27 -21.099 6.193 -5.892 207 H LYS 28 H LYS 28 -17.260 8.423 -3.546 208 HA LYS 28 HA LYS 28 -18.459 10.903 -4.362 209 HB2 LYS 28 2HB LYS 28 -17.582 11.746 -2.194 210 HB3 LYS 28 3HB LYS 28 -18.555 10.290 -2.032 211 HG2 LYS 28 2HG LYS 28 -16.573 8.942 -1.779 212 HG3 LYS 28 3HG LYS 28 -15.544 10.344 -2.075 213 HD2 LYS 28 2HD LYS 28 -15.649 9.903 0.299 214 HD3 LYS 28 3HD LYS 28 -16.485 11.416 -0.056 215 HE2 LYS 28 2HE LYS 28 -18.609 10.408 0.191 216 HE3 LYS 28 3HE LYS 28 -17.923 8.784 0.165 217 HZ1 LYS 28 1HZ LYS 28 -16.665 9.732 2.264 218 HZ2 LYS 28 2HZ LYS 28 -18.202 9.037 2.386 219 HZ3 LYS 28 3HZ LYS 28 -18.036 10.720 2.348 220 H VAL 29 H VAL 29 -15.228 9.566 -4.227 221 HA VAL 29 HA VAL 29 -13.859 12.035 -4.650 222 HB VAL 29 HB VAL 29 -12.898 9.215 -5.156 223 HG11 VAL 29 1HG1 VAL 29 -11.170 10.244 -6.128 224 HG12 VAL 29 2HG1 VAL 29 -11.681 11.831 -5.546 225 HG13 VAL 29 3HG1 VAL 29 -10.725 10.775 -4.506 226 HG21 VAL 29 1HG2 VAL 29 -11.815 10.544 -2.832 227 HG22 VAL 29 2HG2 VAL 29 -13.572 10.425 -2.741 228 HG23 VAL 29 3HG2 VAL 29 -12.601 8.970 -2.963 229 H PHE 30 H PHE 30 -14.590 9.272 -6.779 230 HA PHE 30 HA PHE 30 -13.529 10.332 -9.128 231 HB2 PHE 30 2HB PHE 30 -15.555 8.244 -8.489 232 HB3 PHE 30 3HB PHE 30 -15.469 8.819 -10.152 233 HD1 PHE 30 HD1 PHE 30 -14.116 7.659 -11.586 234 HD2 PHE 30 HD2 PHE 30 -13.151 7.716 -7.442 235 HE1 PHE 30 HE1 PHE 30 -12.218 6.152 -12.011 236 HE2 PHE 30 HE2 PHE 30 -11.252 6.210 -7.860 237 HZ PHE 30 HZ PHE 30 -10.782 5.426 -10.147 238 H LYS 31 H LYS 31 -16.491 11.032 -7.473 239 HA LYS 31 HA LYS 31 -17.940 12.162 -9.616 240 HB2 LYS 31 2HB LYS 31 -18.990 11.518 -7.493 241 HB3 LYS 31 3HB LYS 31 -18.090 12.776 -6.658 242 HG2 LYS 31 2HG LYS 31 -19.780 13.598 -8.948 243 HG3 LYS 31 3HG LYS 31 -20.593 13.110 -7.460 244 HD2 LYS 31 2HD LYS 31 -18.787 14.721 -6.381 245 HD3 LYS 31 3HD LYS 31 -18.827 15.443 -7.991 246 HE2 LYS 31 2HE LYS 31 -20.410 16.594 -6.612 247 HE3 LYS 31 3HE LYS 31 -21.301 15.619 -7.779 248 HZ1 LYS 31 1HZ LYS 31 -22.413 14.991 -5.943 249 HZ2 LYS 31 2HZ LYS 31 -21.144 15.370 -4.890 250 HZ3 LYS 31 3HZ LYS 31 -21.123 13.913 -5.751 251 H GLN 32 H GLN 32 -15.555 13.472 -7.389 252 HA GLN 32 HA GLN 32 -15.892 16.163 -8.423 253 HB2 GLN 32 2HB GLN 32 -14.282 14.915 -6.235 254 HB3 GLN 32 3HB GLN 32 -13.795 16.483 -6.864 255 HG2 GLN 32 2HG GLN 32 -16.519 15.841 -5.756 256 HG3 GLN 32 3HG GLN 32 -15.222 16.636 -4.865 257 HE21 GLN 32 1HE2 GLN 32 -17.765 17.004 -7.111 258 HE22 GLN 32 2HE2 GLN 32 -17.584 18.701 -7.387 259 H TYR 33 H TYR 33 -13.948 13.395 -9.009 260 HA TYR 33 HA TYR 33 -11.574 14.429 -9.950 261 HB2 TYR 33 2HB TYR 33 -13.128 11.979 -10.400 262 HB3 TYR 33 3HB TYR 33 -12.061 12.400 -11.735 263 HD1 TYR 33 HD1 TYR 33 -11.586 12.847 -8.064 264 HD2 TYR 33 HD2 TYR 33 -10.288 10.901 -11.618 265 HE1 TYR 33 HE1 TYR 33 -9.682 11.890 -6.836 266 HE2 TYR 33 HE2 TYR 33 -8.381 9.937 -10.400 267 HH TYR 33 HH TYR 33 -7.667 10.852 -7.084 268 H PHE 34 H PHE 34 -14.432 13.687 -11.956 269 HA PHE 34 HA PHE 34 -13.391 15.101 -14.212 270 HB2 PHE 34 2HB PHE 34 -15.387 14.489 -15.332 271 HB3 PHE 34 3HB PHE 34 -15.010 13.137 -14.270 272 HD1 PHE 34 HD1 PHE 34 -16.402 12.610 -12.381 273 HD2 PHE 34 HD2 PHE 34 -17.272 15.949 -14.873 274 HE1 PHE 34 HE1 PHE 34 -18.644 12.766 -11.381 275 HE2 PHE 34 HE2 PHE 34 -19.517 16.111 -13.877 276 HZ PHE 34 HZ PHE 34 -20.205 14.519 -12.129 277 H ASN 35 H ASN 35 -15.271 15.948 -11.453 278 HA ASN 35 HA ASN 35 -16.753 18.108 -12.333 279 HB2 ASN 35 2HB ASN 35 -16.782 17.113 -10.025 280 HB3 ASN 35 3HB ASN 35 -15.287 17.984 -9.692 281 HD21 ASN 35 1HD2 ASN 35 -18.651 18.409 -10.647 282 HD22 ASN 35 2HD2 ASN 35 -18.836 19.984 -9.960 283 H ASP 36 H ASP 36 -13.322 17.885 -11.695 284 HA ASP 36 HA ASP 36 -12.641 20.573 -11.543 285 HB2 ASP 36 2HB ASP 36 -11.171 18.449 -11.282 286 HB3 ASP 36 3HB ASP 36 -10.917 18.603 -13.018 287 H ASN 37 H ASN 37 -13.247 18.550 -14.366 288 HA ASN 37 HA ASN 37 -12.428 20.501 -16.277 289 HB2 ASN 37 2HB ASN 37 -14.304 18.170 -16.715 290 HB3 ASN 37 3HB ASN 37 -13.358 19.016 -17.936 291 HD21 ASN 37 1HD2 ASN 37 -10.953 19.001 -17.507 292 HD22 ASN 37 2HD2 ASN 37 -10.276 17.504 -16.973 293 H GLY 38 H GLY 38 -15.237 20.078 -14.379 294 HA2 GLY 38 2HA GLY 38 -17.225 21.220 -14.279 295 HA3 GLY 38 3HA GLY 38 -16.408 22.490 -15.177 296 H ILE 39 H ILE 39 -16.538 19.395 -16.657 297 HA ILE 39 HA ILE 39 -17.929 20.357 -18.914 298 HB ILE 39 HB ILE 39 -16.336 18.428 -18.923 299 HG12 ILE 39 2HG1 ILE 39 -19.088 17.897 -20.065 300 HG13 ILE 39 3HG1 ILE 39 -17.829 18.868 -20.821 301 HG21 ILE 39 1HG2 ILE 39 -18.628 16.731 -17.998 302 HG22 ILE 39 2HG2 ILE 39 -16.922 16.310 -18.137 303 HG23 ILE 39 3HG2 ILE 39 -17.460 17.400 -16.858 304 HD11 ILE 39 1HD1 ILE 39 -18.268 16.053 -20.958 305 HD12 ILE 39 2HD1 ILE 39 -17.109 17.048 -21.840 306 HD13 ILE 39 3HD1 ILE 39 -16.676 16.372 -20.271 307 H ASP 40 H ASP 40 -20.011 19.950 -19.663 308 HA ASP 40 HA ASP 40 -21.953 19.329 -17.553 309 HB2 ASP 40 2HB ASP 40 -23.597 20.368 -19.185 310 HB3 ASP 40 3HB ASP 40 -22.386 21.458 -18.516 311 H GLY 41 H GLY 41 -23.025 17.466 -17.574 312 HA2 GLY 41 2HA GLY 41 -24.100 16.219 -19.835 313 HA3 GLY 41 3HA GLY 41 -22.547 15.466 -19.503 314 H GLU 42 H GLU 42 -24.550 13.787 -19.397 315 HA GLU 42 HA GLU 42 -25.824 13.658 -16.831 316 HB2 GLU 42 2HB GLU 42 -26.864 12.726 -18.868 317 HB3 GLU 42 3HB GLU 42 -25.572 11.538 -18.972 318 HG2 GLU 42 2HG GLU 42 -27.312 10.367 -17.995 319 HG3 GLU 42 3HG GLU 42 -26.304 10.824 -16.624 320 H TRP 43 H TRP 43 -24.198 13.636 -15.285 321 HA TRP 43 HA TRP 43 -22.185 11.538 -15.377 322 HB2 TRP 43 2HB TRP 43 -21.317 12.612 -13.318 323 HB3 TRP 43 3HB TRP 43 -21.464 13.744 -14.659 324 HD1 TRP 43 HD1 TRP 43 -23.293 15.676 -14.449 325 HE1 TRP 43 HE1 TRP 43 -24.569 16.630 -12.427 326 HE3 TRP 43 HE3 TRP 43 -22.373 11.947 -11.075 327 HZ2 TRP 43 HZ2 TRP 43 -25.113 15.899 -9.755 328 HZ3 TRP 43 HZ3 TRP 43 -23.307 12.151 -8.808 329 HH2 TRP 43 HH2 TRP 43 -24.648 14.087 -8.163 330 H THR 44 H THR 44 -22.361 9.646 -14.373 331 HA THR 44 HA THR 44 -23.817 9.335 -11.916 332 HB THR 44 HB THR 44 -25.153 7.359 -13.109 333 HG1 THR 44 HG1 THR 44 -25.930 8.245 -15.156 334 HG21 THR 44 1HG2 THR 44 -25.795 9.798 -12.002 335 HG22 THR 44 2HG2 THR 44 -26.947 8.557 -12.495 336 HG23 THR 44 3HG2 THR 44 -26.547 9.876 -13.595 337 H TYR 45 H TYR 45 -23.806 6.997 -11.204 338 HA TYR 45 HA TYR 45 -21.305 5.739 -12.112 339 HB2 TYR 45 2HB TYR 45 -21.416 4.606 -9.819 340 HB3 TYR 45 3HB TYR 45 -21.035 6.323 -9.845 341 HD1 TYR 45 HD1 TYR 45 -23.463 3.800 -8.850 342 HD2 TYR 45 HD2 TYR 45 -22.701 7.977 -9.112 343 HE1 TYR 45 HE1 TYR 45 -25.330 4.231 -7.308 344 HE2 TYR 45 HE2 TYR 45 -24.565 8.420 -7.569 345 HH TYR 45 HH TYR 45 -26.146 7.536 -6.289 346 H ASP 46 H ASP 46 -21.544 3.961 -13.276 347 HA ASP 46 HA ASP 46 -24.041 2.600 -13.502 348 HB2 ASP 46 2HB ASP 46 -22.075 2.861 -15.227 349 HB3 ASP 46 3HB ASP 46 -21.472 1.396 -14.458 350 H ASP 47 H ASP 47 -24.810 1.306 -11.976 351 HA ASP 47 HA ASP 47 -23.239 0.121 -9.947 352 HB2 ASP 47 2HB ASP 47 -25.352 -1.178 -9.454 353 HB3 ASP 47 3HB ASP 47 -25.530 0.575 -9.465 354 H ALA 48 H ALA 48 -24.064 -0.869 -13.139 355 HA ALA 48 HA ALA 48 -23.986 -3.623 -13.015 356 HB1 ALA 48 1HB ALA 48 -23.322 -3.602 -15.331 357 HB2 ALA 48 2HB ALA 48 -24.474 -2.297 -15.047 358 HB3 ALA 48 3HB ALA 48 -22.754 -1.938 -15.190 359 H THR 49 H THR 49 -21.165 -1.729 -14.080 360 HA THR 49 HA THR 49 -19.450 -3.701 -12.715 361 HB THR 49 HB THR 49 -17.738 -3.295 -14.375 362 HG1 THR 49 HG1 THR 49 -19.560 -1.565 -15.709 363 HG21 THR 49 1HG2 THR 49 -19.221 -5.024 -15.025 364 HG22 THR 49 2HG2 THR 49 -19.001 -4.017 -16.458 365 HG23 THR 49 3HG2 THR 49 -20.472 -3.874 -15.497 366 H LYS 50 H LYS 50 -20.613 -1.137 -11.705 367 HA LYS 50 HA LYS 50 -19.994 0.704 -10.512 368 HB2 LYS 50 2HB LYS 50 -18.658 -1.364 -9.501 369 HB3 LYS 50 3HB LYS 50 -17.276 -0.433 -10.065 370 HG2 LYS 50 2HG LYS 50 -17.604 0.168 -7.814 371 HG3 LYS 50 3HG LYS 50 -18.216 1.518 -8.773 372 HD2 LYS 50 2HD LYS 50 -19.864 1.207 -7.154 373 HD3 LYS 50 3HD LYS 50 -20.503 0.354 -8.560 374 HE2 LYS 50 2HE LYS 50 -20.858 -1.175 -6.866 375 HE3 LYS 50 3HE LYS 50 -19.312 -1.708 -7.525 376 HZ1 LYS 50 1HZ LYS 50 -19.624 0.036 -5.143 377 HZ2 LYS 50 2HZ LYS 50 -18.172 -0.582 -5.749 378 HZ3 LYS 50 3HZ LYS 50 -19.326 -1.628 -5.089 379 H THR 51 H THR 51 -19.465 0.779 -13.347 380 HA THR 51 HA THR 51 -16.979 2.321 -13.529 381 HB THR 51 HB THR 51 -18.824 1.338 -15.716 382 HG1 THR 51 HG1 THR 51 -16.732 0.101 -16.108 383 HG21 THR 51 1HG2 THR 51 -16.734 1.937 -17.120 384 HG22 THR 51 2HG2 THR 51 -16.314 2.980 -15.761 385 HG23 THR 51 3HG2 THR 51 -17.826 3.233 -16.634 386 H PHE 52 H PHE 52 -16.922 4.468 -13.975 387 HA PHE 52 HA PHE 52 -19.451 5.907 -13.783 388 HB2 PHE 52 2HB PHE 52 -17.332 6.435 -12.402 389 HB3 PHE 52 3HB PHE 52 -16.726 7.178 -13.878 390 HD1 PHE 52 HD1 PHE 52 -19.562 7.268 -11.487 391 HD2 PHE 52 HD2 PHE 52 -17.300 9.365 -14.420 392 HE1 PHE 52 HE1 PHE 52 -20.768 9.339 -10.931 393 HE2 PHE 52 HE2 PHE 52 -18.502 11.440 -13.868 394 HZ PHE 52 HZ PHE 52 -20.238 11.429 -12.120 395 H THR 53 H THR 53 -20.392 6.918 -15.438 396 HA THR 53 HA THR 53 -18.815 7.451 -17.860 397 HB THR 53 HB THR 53 -21.646 6.471 -18.080 398 HG1 THR 53 HG1 THR 53 -21.019 4.452 -17.840 399 HG21 THR 53 1HG2 THR 53 -19.295 6.799 -19.907 400 HG22 THR 53 2HG2 THR 53 -20.958 7.348 -20.116 401 HG23 THR 53 3HG2 THR 53 -20.564 5.638 -20.295 402 H ILE 54 H ILE 54 -19.497 9.211 -19.106 403 HA ILE 54 HA ILE 54 -21.595 10.891 -17.902 404 HB ILE 54 HB ILE 54 -18.961 11.870 -19.012 405 HG12 ILE 54 2HG1 ILE 54 -20.006 11.963 -16.174 406 HG13 ILE 54 3HG1 ILE 54 -18.841 10.782 -16.763 407 HG21 ILE 54 1HG2 ILE 54 -20.558 13.513 -19.526 408 HG22 ILE 54 2HG2 ILE 54 -21.395 13.300 -17.989 409 HG23 ILE 54 3HG2 ILE 54 -19.806 14.064 -18.029 410 HD11 ILE 54 1HD1 ILE 54 -17.827 13.300 -17.463 411 HD12 ILE 54 2HD1 ILE 54 -18.401 13.431 -15.800 412 HD13 ILE 54 3HD1 ILE 54 -17.227 12.189 -16.232 413 H THR 55 H THR 55 -23.202 10.824 -19.342 414 HA THR 55 HA THR 55 -22.550 11.065 -22.200 415 HB THR 55 HB THR 55 -25.274 10.331 -21.171 416 HG1 THR 55 HG1 THR 55 -24.577 8.129 -21.288 417 HG21 THR 55 1HG2 THR 55 -25.050 10.836 -23.545 418 HG22 THR 55 2HG2 THR 55 -25.380 9.119 -23.312 419 HG23 THR 55 3HG2 THR 55 -23.745 9.659 -23.687 420 H GLU 56 H GLU 56 -22.613 13.112 -22.870 421 HA GLU 56 HA GLU 56 -24.585 14.943 -21.708 422 HB2 GLU 56 2HB GLU 56 -22.360 15.817 -21.645 423 HB3 GLU 56 3HB GLU 56 -22.086 15.411 -23.333 424 HG2 GLU 56 2HG GLU 56 -22.518 17.849 -22.763 425 HG3 GLU 56 3HG GLU 56 -23.434 17.150 -24.098 Start of MODEL 8 1 H1 MET 1 H MET 1 -12.547 -1.784 -3.991 2 HA MET 1 HA MET 1 -13.948 -2.578 -6.457 3 HB2 MET 1 2HB MET 1 -14.727 -0.343 -4.583 4 HB3 MET 1 3HB MET 1 -15.679 -1.012 -5.900 5 HG2 MET 1 2HG MET 1 -14.876 -2.539 -3.437 6 HG3 MET 1 3HG MET 1 -16.422 -1.722 -3.650 7 HE1 MET 1 1HE MET 1 -16.772 -5.548 -3.594 8 HE2 MET 1 2HE MET 1 -16.808 -4.030 -2.696 9 HE3 MET 1 3HE MET 1 -18.152 -4.460 -3.757 10 H THR 2 H THR 2 -12.865 -1.845 -8.169 11 HA THR 2 HA THR 2 -11.549 0.771 -8.026 12 HB THR 2 HB THR 2 -10.395 0.127 -10.094 13 HG1 THR 2 HG1 THR 2 -11.932 -2.260 -9.830 14 HG21 THR 2 1HG2 THR 2 -9.803 -2.325 -8.724 15 HG22 THR 2 2HG2 THR 2 -10.053 -1.031 -7.552 16 HG23 THR 2 3HG2 THR 2 -8.846 -0.848 -8.824 17 H PHE 3 H PHE 3 -12.288 2.496 -9.099 18 HA PHE 3 HA PHE 3 -14.619 2.121 -10.845 19 HB2 PHE 3 2HB PHE 3 -13.688 4.372 -9.098 20 HB3 PHE 3 3HB PHE 3 -14.753 4.710 -10.460 21 HD1 PHE 3 HD1 PHE 3 -17.031 4.602 -10.151 22 HD2 PHE 3 HD2 PHE 3 -14.479 2.459 -7.503 23 HE1 PHE 3 HE1 PHE 3 -18.979 3.979 -8.784 24 HE2 PHE 3 HE2 PHE 3 -16.424 1.831 -6.133 25 HZ PHE 3 HZ PHE 3 -18.678 2.590 -6.772 26 H LYS 4 H LYS 4 -14.801 3.421 -12.771 27 HA LYS 4 HA LYS 4 -12.253 4.414 -13.838 28 HB2 LYS 4 2HB LYS 4 -12.482 2.171 -14.718 29 HB3 LYS 4 3HB LYS 4 -14.134 2.496 -15.223 30 HG2 LYS 4 2HG LYS 4 -13.251 4.217 -16.787 31 HG3 LYS 4 3HG LYS 4 -11.618 3.705 -16.351 32 HD2 LYS 4 2HD LYS 4 -13.572 1.642 -17.250 33 HD3 LYS 4 3HD LYS 4 -12.851 2.708 -18.459 34 HE2 LYS 4 2HE LYS 4 -11.413 0.870 -18.399 35 HE3 LYS 4 3HE LYS 4 -10.606 2.073 -17.394 36 HZ1 LYS 4 1HZ LYS 4 -12.360 0.482 -15.836 37 HZ2 LYS 4 2HZ LYS 4 -10.693 0.712 -15.666 38 HZ3 LYS 4 3HZ LYS 4 -11.280 -0.504 -16.684 39 H LEU 5 H LEU 5 -12.456 6.390 -14.649 40 HA LEU 5 HA LEU 5 -15.131 7.450 -15.141 41 HB2 LEU 5 2HB LEU 5 -12.515 8.937 -15.165 42 HB3 LEU 5 3HB LEU 5 -14.136 9.620 -15.062 43 HG LEU 5 HG LEU 5 -14.142 8.127 -12.831 44 HD11 LEU 5 1HD1 LEU 5 -11.971 7.251 -12.908 45 HD12 LEU 5 2HD1 LEU 5 -11.878 8.585 -11.758 46 HD13 LEU 5 3HD1 LEU 5 -11.271 8.794 -13.401 47 HD21 LEU 5 1HD2 LEU 5 -13.452 10.931 -13.452 48 HD22 LEU 5 2HD2 LEU 5 -13.077 10.371 -11.822 49 HD23 LEU 5 3HD2 LEU 5 -14.730 10.274 -12.430 50 H ILE 6 H ILE 6 -15.906 7.273 -17.132 51 HA ILE 6 HA ILE 6 -14.049 7.625 -19.395 52 HB ILE 6 HB ILE 6 -16.579 5.974 -19.364 53 HG12 ILE 6 2HG1 ILE 6 -14.800 4.915 -18.060 54 HG13 ILE 6 3HG1 ILE 6 -15.067 4.038 -19.563 55 HG21 ILE 6 1HG2 ILE 6 -14.514 6.467 -21.499 56 HG22 ILE 6 2HG2 ILE 6 -15.732 5.195 -21.580 57 HG23 ILE 6 3HG2 ILE 6 -16.226 6.888 -21.542 58 HD11 ILE 6 1HD1 ILE 6 -13.074 5.975 -20.056 59 HD12 ILE 6 2HD1 ILE 6 -12.665 5.151 -18.551 60 HD13 ILE 6 3HD1 ILE 6 -12.919 4.219 -20.026 61 H ILE 7 H ILE 7 -14.335 9.705 -19.972 62 HA ILE 7 HA ILE 7 -16.962 10.918 -19.975 63 HB ILE 7 HB ILE 7 -14.314 12.026 -20.920 64 HG12 ILE 7 2HG1 ILE 7 -14.801 13.418 -18.714 65 HG13 ILE 7 3HG1 ILE 7 -15.719 11.979 -18.284 66 HG21 ILE 7 1HG2 ILE 7 -15.706 14.211 -20.432 67 HG22 ILE 7 2HG2 ILE 7 -15.799 13.394 -21.992 68 HG23 ILE 7 3HG2 ILE 7 -17.066 13.147 -20.790 69 HD11 ILE 7 1HD1 ILE 7 -12.906 11.716 -19.237 70 HD12 ILE 7 2HD1 ILE 7 -13.240 12.194 -17.571 71 HD13 ILE 7 3HD1 ILE 7 -13.841 10.654 -18.186 72 H ASN 8 H ASN 8 -18.329 10.523 -21.580 73 HA ASN 8 HA ASN 8 -17.353 9.778 -24.212 74 HB2 ASN 8 2HB ASN 8 -19.991 9.711 -22.818 75 HB3 ASN 8 3HB ASN 8 -19.985 9.755 -24.579 76 HD21 ASN 8 1HD2 ASN 8 -21.093 7.625 -23.867 77 HD22 ASN 8 2HD2 ASN 8 -20.062 6.238 -23.851 78 H GLY 9 H GLY 9 -16.582 11.527 -25.285 79 HA2 GLY 9 2HA GLY 9 -18.543 13.587 -25.981 80 HA3 GLY 9 3HA GLY 9 -17.023 14.116 -25.275 81 H LYS 10 H LYS 10 -17.725 15.038 -27.734 82 HA LYS 10 HA LYS 10 -16.344 13.407 -29.720 83 HB2 LYS 10 2HB LYS 10 -17.116 15.150 -31.319 84 HB3 LYS 10 3HB LYS 10 -18.428 14.378 -30.439 85 HG2 LYS 10 2HG LYS 10 -17.402 16.795 -29.157 86 HG3 LYS 10 3HG LYS 10 -18.105 17.064 -30.754 87 HD2 LYS 10 2HD LYS 10 -19.481 15.540 -28.545 88 HD3 LYS 10 3HD LYS 10 -19.720 17.263 -28.847 89 HE2 LYS 10 2HE LYS 10 -20.067 15.329 -31.091 90 HE3 LYS 10 3HE LYS 10 -21.340 15.473 -29.880 91 HZ1 LYS 10 1HZ LYS 10 -22.026 17.082 -31.283 92 HZ2 LYS 10 2HZ LYS 10 -20.484 17.377 -31.909 93 HZ3 LYS 10 3HZ LYS 10 -20.927 18.028 -30.411 94 H THR 11 H THR 11 -15.877 16.236 -27.774 95 HA THR 11 HA THR 11 -13.397 16.867 -29.226 96 HB THR 11 HB THR 11 -14.553 18.649 -27.110 97 HG1 THR 11 HG1 THR 11 -15.356 18.549 -29.846 98 HG21 THR 11 1HG2 THR 11 -13.509 19.920 -29.471 99 HG22 THR 11 2HG2 THR 11 -12.344 18.757 -28.837 100 HG23 THR 11 3HG2 THR 11 -12.957 20.044 -27.801 101 H LEU 12 H LEU 12 -14.706 16.467 -25.945 102 HA LEU 12 HA LEU 12 -11.976 16.170 -24.920 103 HB2 LEU 12 2HB LEU 12 -13.449 17.756 -23.773 104 HB3 LEU 12 3HB LEU 12 -14.594 16.456 -23.451 105 HG LEU 12 HG LEU 12 -11.808 16.193 -22.427 106 HD11 LEU 12 1HD1 LEU 12 -12.362 17.435 -20.421 107 HD12 LEU 12 2HD1 LEU 12 -13.938 17.855 -21.091 108 HD13 LEU 12 3HD1 LEU 12 -12.469 18.482 -21.837 109 HD21 LEU 12 1HD2 LEU 12 -13.884 15.509 -20.600 110 HD22 LEU 12 2HD2 LEU 12 -12.719 14.452 -21.400 111 HD23 LEU 12 3HD2 LEU 12 -14.263 14.812 -22.175 112 H LYS 13 H LYS 13 -11.324 14.357 -23.761 113 HA LYS 13 HA LYS 13 -13.105 12.133 -23.352 114 HB2 LYS 13 2HB LYS 13 -12.234 12.145 -25.833 115 HB3 LYS 13 3HB LYS 13 -10.759 11.519 -25.107 116 HG2 LYS 13 2HG LYS 13 -11.801 9.562 -25.590 117 HG3 LYS 13 3HG LYS 13 -12.451 9.839 -23.972 118 HD2 LYS 13 2HD LYS 13 -14.362 11.069 -25.194 119 HD3 LYS 13 3HD LYS 13 -13.778 10.233 -26.634 120 HE2 LYS 13 2HE LYS 13 -14.458 8.801 -24.077 121 HE3 LYS 13 3HE LYS 13 -15.645 9.101 -25.345 122 HZ1 LYS 13 1HZ LYS 13 -13.406 7.242 -25.299 123 HZ2 LYS 13 2HZ LYS 13 -13.700 8.016 -26.775 124 HZ3 LYS 13 3HZ LYS 13 -14.919 7.099 -26.045 125 H GLY 14 H GLY 14 -12.534 11.322 -21.450 126 HA2 GLY 14 2HA GLY 14 -9.660 11.234 -20.778 127 HA3 GLY 14 3HA GLY 14 -10.859 11.768 -19.609 128 H GLU 15 H GLU 15 -8.907 9.400 -19.873 129 HA GLU 15 HA GLU 15 -10.842 7.397 -18.954 130 HB2 GLU 15 2HB GLU 15 -10.242 6.882 -21.301 131 HB3 GLU 15 3HB GLU 15 -8.549 6.806 -20.834 132 HG2 GLU 15 2HG GLU 15 -8.776 4.795 -19.798 133 HG3 GLU 15 3HG GLU 15 -10.462 5.079 -19.371 134 H THR 16 H THR 16 -10.214 6.258 -17.196 135 HA THR 16 HA THR 16 -7.547 5.791 -16.415 136 HB THR 16 HB THR 16 -7.327 8.092 -15.873 137 HG1 THR 16 HG1 THR 16 -8.070 7.105 -13.345 138 HG21 THR 16 1HG2 THR 16 -9.021 9.078 -14.169 139 HG22 THR 16 2HG2 THR 16 -10.087 7.797 -14.743 140 HG23 THR 16 3HG2 THR 16 -9.466 8.999 -15.873 141 H THR 17 H THR 17 -7.387 4.713 -14.342 142 HA THR 17 HA THR 17 -9.802 4.076 -12.902 143 HB THR 17 HB THR 17 -8.372 1.757 -14.189 144 HG1 THR 17 HG1 THR 17 -9.282 2.703 -15.934 145 HG21 THR 17 1HG2 THR 17 -11.204 1.811 -13.219 146 HG22 THR 17 2HG2 THR 17 -9.878 1.609 -12.073 147 HG23 THR 17 3HG2 THR 17 -10.103 0.442 -13.376 148 H THR 18 H THR 18 -9.397 3.345 -10.857 149 HA THR 18 HA THR 18 -6.821 2.287 -10.111 150 HB THR 18 HB THR 18 -6.327 4.694 -10.125 151 HG1 THR 18 HG1 THR 18 -5.115 4.074 -8.508 152 HG21 THR 18 1HG2 THR 18 -7.443 6.100 -8.341 153 HG22 THR 18 2HG2 THR 18 -8.655 4.825 -8.216 154 HG23 THR 18 3HG2 THR 18 -8.444 5.696 -9.735 155 H GLU 19 H GLU 19 -6.736 1.664 -7.831 156 HA GLU 19 HA GLU 19 -9.366 0.822 -6.913 157 HB2 GLU 19 2HB GLU 19 -7.336 -0.714 -7.063 158 HB3 GLU 19 3HB GLU 19 -6.713 0.139 -5.658 159 HG2 GLU 19 2HG GLU 19 -8.436 -0.639 -4.277 160 HG3 GLU 19 3HG GLU 19 -9.419 -1.147 -5.650 161 H ALA 20 H ALA 20 -10.030 1.067 -4.696 162 HA ALA 20 HA ALA 20 -8.805 3.372 -3.332 163 HB1 ALA 20 1HB ALA 20 -10.841 4.112 -4.438 164 HB2 ALA 20 2HB ALA 20 -11.757 2.838 -3.633 165 HB3 ALA 20 3HB ALA 20 -11.038 4.141 -2.686 166 H VAL 21 H VAL 21 -10.179 3.484 -1.048 167 HA VAL 21 HA VAL 21 -9.358 1.050 0.299 168 HB VAL 21 HB VAL 21 -9.838 2.265 2.377 169 HG11 VAL 21 1HG1 VAL 21 -8.242 3.900 0.407 170 HG12 VAL 21 2HG1 VAL 21 -8.111 3.972 2.166 171 HG13 VAL 21 3HG1 VAL 21 -7.648 2.504 1.305 172 HG21 VAL 21 1HG2 VAL 21 -11.530 3.740 2.207 173 HG22 VAL 21 2HG2 VAL 21 -10.249 4.870 1.765 174 HG23 VAL 21 3HG2 VAL 21 -11.201 4.080 0.508 175 H ASP 22 H ASP 22 -12.310 2.768 -0.493 176 HA ASP 22 HA ASP 22 -13.854 0.399 0.184 177 HB2 ASP 22 2HB ASP 22 -13.726 2.045 2.196 178 HB3 ASP 22 3HB ASP 22 -14.837 3.029 1.248 179 H ALA 23 H ALA 23 -16.127 0.586 -0.578 180 HA ALA 23 HA ALA 23 -16.215 1.459 -3.250 181 HB1 ALA 23 1HB ALA 23 -18.722 1.032 -2.977 182 HB2 ALA 23 2HB ALA 23 -17.627 -0.325 -2.713 183 HB3 ALA 23 3HB ALA 23 -18.327 0.523 -1.335 184 H ALA 24 H ALA 24 -17.995 2.714 -0.419 185 HA ALA 24 HA ALA 24 -19.087 4.946 -1.717 186 HB1 ALA 24 1HB ALA 24 -20.072 5.328 0.250 187 HB2 ALA 24 2HB ALA 24 -19.315 3.825 0.776 188 HB3 ALA 24 3HB ALA 24 -18.534 5.370 1.113 189 H THR 25 H THR 25 -15.943 4.384 -0.359 190 HA THR 25 HA THR 25 -15.195 7.152 -0.202 191 HB THR 25 HB THR 25 -13.417 4.705 -0.187 192 HG1 THR 25 HG1 THR 25 -15.170 5.165 1.543 193 HG21 THR 25 1HG2 THR 25 -11.748 6.184 -0.239 194 HG22 THR 25 2HG2 THR 25 -12.296 6.758 1.337 195 HG23 THR 25 3HG2 THR 25 -12.869 7.541 -0.136 196 H ALA 26 H ALA 26 -15.040 4.630 -2.599 197 HA ALA 26 HA ALA 26 -13.187 6.061 -4.295 198 HB1 ALA 26 1HB ALA 26 -14.766 3.823 -5.404 199 HB2 ALA 26 2HB ALA 26 -13.038 4.162 -5.515 200 HB3 ALA 26 3HB ALA 26 -13.704 3.446 -4.047 201 H GLU 27 H GLU 27 -16.639 5.669 -3.973 202 HA GLU 27 HA GLU 27 -17.219 6.851 -6.545 203 HB2 GLU 27 2HB GLU 27 -19.503 6.501 -6.035 204 HB3 GLU 27 3HB GLU 27 -18.652 5.103 -5.393 205 HG2 GLU 27 2HG GLU 27 -18.665 6.259 -3.160 206 HG3 GLU 27 3HG GLU 27 -19.759 7.445 -3.872 207 H LYS 28 H LYS 28 -17.027 7.858 -3.202 208 HA LYS 28 HA LYS 28 -18.300 10.385 -3.563 209 HB2 LYS 28 2HB LYS 28 -17.635 10.869 -1.336 210 HB3 LYS 28 3HB LYS 28 -18.022 9.154 -1.372 211 HG2 LYS 28 2HG LYS 28 -16.073 8.943 -0.289 212 HG3 LYS 28 3HG LYS 28 -15.375 9.074 -1.905 213 HD2 LYS 28 2HD LYS 28 -14.612 11.189 -1.552 214 HD3 LYS 28 3HD LYS 28 -15.940 11.604 -0.465 215 HE2 LYS 28 2HE LYS 28 -13.871 9.607 0.364 216 HE3 LYS 28 3HE LYS 28 -13.537 11.334 0.485 217 HZ1 LYS 28 1HZ LYS 28 -15.877 9.989 1.721 218 HZ2 LYS 28 2HZ LYS 28 -15.418 11.605 1.920 219 HZ3 LYS 28 3HZ LYS 28 -14.447 10.367 2.542 220 H VAL 29 H VAL 29 -15.072 9.183 -4.005 221 HA VAL 29 HA VAL 29 -13.920 11.846 -4.182 222 HB VAL 29 HB VAL 29 -12.669 9.135 -4.649 223 HG11 VAL 29 1HG1 VAL 29 -10.666 10.960 -4.088 224 HG12 VAL 29 2HG1 VAL 29 -11.044 10.270 -5.668 225 HG13 VAL 29 3HG1 VAL 29 -11.733 11.824 -5.195 226 HG21 VAL 29 1HG2 VAL 29 -11.760 9.288 -2.484 227 HG22 VAL 29 2HG2 VAL 29 -12.203 10.989 -2.329 228 HG23 VAL 29 3HG2 VAL 29 -13.454 9.745 -2.306 229 H PHE 30 H PHE 30 -14.509 9.071 -6.321 230 HA PHE 30 HA PHE 30 -13.474 10.195 -8.666 231 HB2 PHE 30 2HB PHE 30 -15.400 8.000 -8.055 232 HB3 PHE 30 3HB PHE 30 -15.293 8.575 -9.715 233 HD1 PHE 30 HD1 PHE 30 -14.084 7.113 -10.999 234 HD2 PHE 30 HD2 PHE 30 -12.764 7.957 -7.041 235 HE1 PHE 30 HE1 PHE 30 -12.104 5.698 -11.361 236 HE2 PHE 30 HE2 PHE 30 -10.782 6.544 -7.398 237 HZ PHE 30 HZ PHE 30 -10.449 5.413 -9.559 238 H LYS 31 H LYS 31 -16.401 10.809 -6.966 239 HA LYS 31 HA LYS 31 -17.900 11.870 -9.148 240 HB2 LYS 31 2HB LYS 31 -18.848 11.025 -6.962 241 HB3 LYS 31 3HB LYS 31 -18.258 12.506 -6.218 242 HG2 LYS 31 2HG LYS 31 -19.636 13.766 -7.910 243 HG3 LYS 31 3HG LYS 31 -20.365 12.218 -8.341 244 HD2 LYS 31 2HD LYS 31 -20.290 13.058 -5.476 245 HD3 LYS 31 3HD LYS 31 -21.494 13.766 -6.555 246 HE2 LYS 31 2HE LYS 31 -22.488 11.687 -6.988 247 HE3 LYS 31 3HE LYS 31 -21.096 10.796 -6.373 248 HZ1 LYS 31 1HZ LYS 31 -22.000 10.773 -4.368 249 HZ2 LYS 31 2HZ LYS 31 -23.387 11.513 -4.989 250 HZ3 LYS 31 3HZ LYS 31 -22.141 12.459 -4.347 251 H GLN 32 H GLN 32 -15.482 13.126 -7.004 252 HA GLN 32 HA GLN 32 -16.061 15.889 -7.679 253 HB2 GLN 32 2HB GLN 32 -15.147 14.920 -5.415 254 HB3 GLN 32 3HB GLN 32 -13.590 15.030 -6.225 255 HG2 GLN 32 2HG GLN 32 -13.690 17.045 -5.143 256 HG3 GLN 32 3HG GLN 32 -14.327 17.469 -6.731 257 HE21 GLN 32 1HE2 GLN 32 -15.732 15.937 -3.855 258 HE22 GLN 32 2HE2 GLN 32 -17.053 17.039 -3.703 259 H TYR 33 H TYR 33 -14.068 13.320 -8.785 260 HA TYR 33 HA TYR 33 -11.875 14.596 -9.860 261 HB2 TYR 33 2HB TYR 33 -13.407 12.147 -10.549 262 HB3 TYR 33 3HB TYR 33 -12.294 12.758 -11.768 263 HD1 TYR 33 HD1 TYR 33 -10.539 11.218 -11.762 264 HD2 TYR 33 HD2 TYR 33 -11.942 12.780 -8.061 265 HE1 TYR 33 HE1 TYR 33 -8.666 10.130 -10.601 266 HE2 TYR 33 HE2 TYR 33 -10.070 11.698 -6.889 267 HH TYR 33 HH TYR 33 -8.268 10.423 -7.080 268 H PHE 34 H PHE 34 -14.905 13.882 -11.605 269 HA PHE 34 HA PHE 34 -14.208 15.583 -13.796 270 HB2 PHE 34 2HB PHE 34 -16.293 14.966 -14.745 271 HB3 PHE 34 3HB PHE 34 -15.716 13.537 -13.894 272 HD1 PHE 34 HD1 PHE 34 -16.840 12.721 -11.930 273 HD2 PHE 34 HD2 PHE 34 -18.186 16.238 -13.914 274 HE1 PHE 34 HE1 PHE 34 -18.952 12.620 -10.670 275 HE2 PHE 34 HE2 PHE 34 -20.298 16.143 -12.657 276 HZ PHE 34 HZ PHE 34 -20.683 14.333 -11.032 277 H ASN 35 H ASN 35 -15.799 16.021 -10.771 278 HA ASN 35 HA ASN 35 -17.487 18.154 -11.232 279 HB2 ASN 35 2HB ASN 35 -17.163 16.939 -9.054 280 HB3 ASN 35 3HB ASN 35 -15.693 17.879 -8.814 281 HD21 ASN 35 1HD2 ASN 35 -18.288 17.744 -7.351 282 HD22 ASN 35 2HD2 ASN 35 -18.820 19.385 -7.245 283 H ASP 36 H ASP 36 -13.985 18.170 -10.764 284 HA ASP 36 HA ASP 36 -13.750 21.018 -10.811 285 HB2 ASP 36 2HB ASP 36 -12.082 19.537 -9.723 286 HB3 ASP 36 3HB ASP 36 -11.624 18.923 -11.310 287 H ASN 37 H ASN 37 -13.838 18.515 -13.212 288 HA ASN 37 HA ASN 37 -12.648 20.014 -15.324 289 HB2 ASN 37 2HB ASN 37 -14.457 17.590 -15.386 290 HB3 ASN 37 3HB ASN 37 -13.622 18.247 -16.790 291 HD21 ASN 37 1HD2 ASN 37 -11.783 17.313 -17.275 292 HD22 ASN 37 2HD2 ASN 37 -10.745 16.468 -16.182 293 H GLY 38 H GLY 38 -15.724 20.046 -13.839 294 HA2 GLY 38 2HA GLY 38 -17.637 21.236 -14.272 295 HA3 GLY 38 3HA GLY 38 -16.639 22.259 -15.295 296 H ILE 39 H ILE 39 -16.952 18.848 -15.918 297 HA ILE 39 HA ILE 39 -17.784 19.258 -18.583 298 HB ILE 39 HB ILE 39 -17.946 16.738 -16.926 299 HG12 ILE 39 2HG1 ILE 39 -15.834 17.442 -18.955 300 HG13 ILE 39 3HG1 ILE 39 -15.672 17.897 -17.262 301 HG21 ILE 39 1HG2 ILE 39 -18.414 17.317 -19.812 302 HG22 ILE 39 2HG2 ILE 39 -17.704 15.772 -19.350 303 HG23 ILE 39 3HG2 ILE 39 -19.285 16.238 -18.723 304 HD11 ILE 39 1HD1 ILE 39 -14.982 15.866 -16.717 305 HD12 ILE 39 2HD1 ILE 39 -16.358 15.113 -17.524 306 HD13 ILE 39 3HD1 ILE 39 -14.904 15.507 -18.441 307 H ASP 40 H ASP 40 -19.732 19.596 -19.420 308 HA ASP 40 HA ASP 40 -22.073 19.302 -17.682 309 HB2 ASP 40 2HB ASP 40 -21.663 21.513 -18.733 310 HB3 ASP 40 3HB ASP 40 -21.825 20.763 -20.319 311 H GLY 41 H GLY 41 -23.472 17.696 -17.976 312 HA2 GLY 41 2HA GLY 41 -24.572 16.759 -20.290 313 HA3 GLY 41 3HA GLY 41 -23.095 15.822 -20.124 314 H GLU 42 H GLU 42 -24.585 13.989 -20.018 315 HA GLU 42 HA GLU 42 -26.159 13.742 -17.586 316 HB2 GLU 42 2HB GLU 42 -26.841 12.895 -19.927 317 HB3 GLU 42 3HB GLU 42 -25.730 11.568 -19.619 318 HG2 GLU 42 2HG GLU 42 -28.038 10.981 -19.084 319 HG3 GLU 42 3HG GLU 42 -26.994 10.915 -17.666 320 H TRP 43 H TRP 43 -24.621 13.670 -15.953 321 HA TRP 43 HA TRP 43 -22.561 11.613 -16.055 322 HB2 TRP 43 2HB TRP 43 -21.783 12.611 -13.929 323 HB3 TRP 43 3HB TRP 43 -21.912 13.805 -15.218 324 HD1 TRP 43 HD1 TRP 43 -23.738 15.716 -14.946 325 HE1 TRP 43 HE1 TRP 43 -25.116 16.530 -12.930 326 HE3 TRP 43 HE3 TRP 43 -22.964 11.770 -11.790 327 HZ2 TRP 43 HZ2 TRP 43 -25.785 15.620 -10.343 328 HZ3 TRP 43 HZ3 TRP 43 -24.008 11.820 -9.562 329 HH2 TRP 43 HH2 TRP 43 -25.389 13.705 -8.856 330 H THR 44 H THR 44 -22.701 9.699 -15.072 331 HA THR 44 HA THR 44 -24.327 9.282 -12.738 332 HB THR 44 HB THR 44 -25.477 7.272 -14.042 333 HG1 THR 44 HG1 THR 44 -24.933 9.235 -16.026 334 HG21 THR 44 1HG2 THR 44 -26.470 9.326 -12.826 335 HG22 THR 44 2HG2 THR 44 -27.464 8.493 -14.021 336 HG23 THR 44 3HG2 THR 44 -26.654 10.001 -14.445 337 H TYR 45 H TYR 45 -23.595 7.598 -11.550 338 HA TYR 45 HA TYR 45 -21.455 5.971 -12.745 339 HB2 TYR 45 2HB TYR 45 -20.816 5.574 -10.311 340 HB3 TYR 45 3HB TYR 45 -20.566 7.203 -10.929 341 HD1 TYR 45 HD1 TYR 45 -21.993 9.047 -10.187 342 HD2 TYR 45 HD2 TYR 45 -22.478 5.122 -8.619 343 HE1 TYR 45 HE1 TYR 45 -23.342 9.957 -8.344 344 HE2 TYR 45 HE2 TYR 45 -23.831 6.022 -6.772 345 HH TYR 45 HH TYR 45 -25.057 7.888 -6.126 346 H ASP 46 H ASP 46 -21.858 3.902 -13.107 347 HA ASP 46 HA ASP 46 -24.256 2.683 -12.009 348 HB2 ASP 46 2HB ASP 46 -23.258 2.513 -14.463 349 HB3 ASP 46 3HB ASP 46 -22.364 1.172 -13.754 350 H ASP 47 H ASP 47 -24.319 1.127 -10.489 351 HA ASP 47 HA ASP 47 -21.866 0.554 -9.051 352 HB2 ASP 47 2HB ASP 47 -23.449 -0.647 -7.478 353 HB3 ASP 47 3HB ASP 47 -23.726 1.083 -7.664 354 H ALA 48 H ALA 48 -24.019 -1.017 -11.264 355 HA ALA 48 HA ALA 48 -23.501 -3.701 -10.723 356 HB1 ALA 48 1HB ALA 48 -23.724 -3.100 -13.569 357 HB2 ALA 48 2HB ALA 48 -24.758 -4.082 -12.531 358 HB3 ALA 48 3HB ALA 48 -24.971 -2.333 -12.586 359 H THR 49 H THR 49 -21.630 -1.329 -12.516 360 HA THR 49 HA THR 49 -19.481 -3.327 -12.788 361 HB THR 49 HB THR 49 -20.250 -2.924 -15.005 362 HG1 THR 49 HG1 THR 49 -18.183 -2.809 -15.442 363 HG21 THR 49 1HG2 THR 49 -19.969 0.039 -14.487 364 HG22 THR 49 2HG2 THR 49 -21.500 -0.836 -14.492 365 HG23 THR 49 3HG2 THR 49 -20.541 -0.728 -15.967 366 H LYS 50 H LYS 50 -20.420 -0.558 -11.275 367 HA LYS 50 HA LYS 50 -19.352 1.076 -10.105 368 HB2 LYS 50 2HB LYS 50 -17.167 -0.983 -10.341 369 HB3 LYS 50 3HB LYS 50 -16.922 0.529 -9.477 370 HG2 LYS 50 2HG LYS 50 -17.561 -0.783 -7.742 371 HG3 LYS 50 3HG LYS 50 -19.152 -0.225 -8.267 372 HD2 LYS 50 2HD LYS 50 -19.402 -2.539 -8.008 373 HD3 LYS 50 3HD LYS 50 -19.192 -2.314 -9.746 374 HE2 LYS 50 2HE LYS 50 -16.649 -2.662 -9.120 375 HE3 LYS 50 3HE LYS 50 -17.346 -3.507 -7.738 376 HZ1 LYS 50 1HZ LYS 50 -17.901 -4.106 -10.595 377 HZ2 LYS 50 2HZ LYS 50 -18.578 -4.913 -9.272 378 HZ3 LYS 50 3HZ LYS 50 -16.916 -5.019 -9.567 379 H THR 51 H THR 51 -19.395 1.198 -13.029 380 HA THR 51 HA THR 51 -16.922 2.691 -13.574 381 HB THR 51 HB THR 51 -18.967 1.913 -15.643 382 HG1 THR 51 HG1 THR 51 -17.307 0.146 -15.990 383 HG21 THR 51 1HG2 THR 51 -16.227 3.033 -15.623 384 HG22 THR 51 2HG2 THR 51 -17.556 3.309 -16.749 385 HG23 THR 51 3HG2 THR 51 -16.585 1.843 -16.873 386 H PHE 52 H PHE 52 -16.989 4.787 -14.397 387 HA PHE 52 HA PHE 52 -19.551 6.178 -13.986 388 HB2 PHE 52 2HB PHE 52 -17.875 6.945 -12.427 389 HB3 PHE 52 3HB PHE 52 -16.712 7.182 -13.727 390 HD1 PHE 52 HD1 PHE 52 -20.265 8.201 -13.200 391 HD2 PHE 52 HD2 PHE 52 -16.274 9.403 -14.062 392 HE1 PHE 52 HE1 PHE 52 -21.022 10.529 -13.445 393 HE2 PHE 52 HE2 PHE 52 -17.025 11.733 -14.308 394 HZ PHE 52 HZ PHE 52 -19.402 12.299 -13.999 395 H THR 53 H THR 53 -20.520 6.968 -15.724 396 HA THR 53 HA THR 53 -18.878 7.612 -18.086 397 HB THR 53 HB THR 53 -21.720 6.662 -18.318 398 HG1 THR 53 HG1 THR 53 -20.724 4.935 -17.346 399 HG21 THR 53 1HG2 THR 53 -19.370 6.607 -20.216 400 HG22 THR 53 2HG2 THR 53 -20.699 7.768 -20.256 401 HG23 THR 53 3HG2 THR 53 -21.008 6.062 -20.579 402 H ILE 54 H ILE 54 -19.535 9.376 -19.349 403 HA ILE 54 HA ILE 54 -21.649 11.069 -18.206 404 HB ILE 54 HB ILE 54 -18.947 12.060 -19.122 405 HG12 ILE 54 2HG1 ILE 54 -20.167 11.963 -16.354 406 HG13 ILE 54 3HG1 ILE 54 -18.868 10.927 -16.935 407 HG21 ILE 54 1HG2 ILE 54 -19.887 14.056 -19.349 408 HG22 ILE 54 2HG2 ILE 54 -21.459 13.366 -18.947 409 HG23 ILE 54 3HG2 ILE 54 -20.421 14.001 -17.669 410 HD11 ILE 54 1HD1 ILE 54 -18.641 13.393 -15.652 411 HD12 ILE 54 2HD1 ILE 54 -17.354 12.442 -16.394 412 HD13 ILE 54 3HD1 ILE 54 -18.186 13.683 -17.330 413 H THR 55 H THR 55 -23.154 11.309 -19.710 414 HA THR 55 HA THR 55 -22.513 11.064 -22.524 415 HB THR 55 HB THR 55 -25.239 11.865 -21.626 416 HG1 THR 55 HG1 THR 55 -24.233 9.218 -21.308 417 HG21 THR 55 1HG2 THR 55 -24.954 11.491 -23.962 418 HG22 THR 55 2HG2 THR 55 -25.822 10.093 -23.327 419 HG23 THR 55 3HG2 THR 55 -24.099 9.976 -23.679 420 H GLU 56 H GLU 56 -21.460 12.840 -23.265 421 HA GLU 56 HA GLU 56 -22.547 15.488 -22.652 422 HB2 GLU 56 2HB GLU 56 -20.050 14.890 -22.487 423 HB3 GLU 56 3HB GLU 56 -20.055 14.935 -24.245 424 HG2 GLU 56 2HG GLU 56 -21.169 17.266 -22.786 425 HG3 GLU 56 3HG GLU 56 -19.421 17.044 -22.797 Start of MODEL 9 1 H1 MET 1 H MET 1 -12.304 -1.524 -3.800 2 HA MET 1 HA MET 1 -13.124 -2.864 -6.268 3 HB2 MET 1 2HB MET 1 -15.204 -1.375 -6.253 4 HB3 MET 1 3HB MET 1 -15.209 -2.772 -5.186 5 HG2 MET 1 2HG MET 1 -14.557 -1.297 -3.316 6 HG3 MET 1 3HG MET 1 -14.678 0.084 -4.404 7 HE1 MET 1 1HE MET 1 -16.351 -2.631 -2.410 8 HE2 MET 1 2HE MET 1 -18.086 -2.382 -2.607 9 HE3 MET 1 3HE MET 1 -17.151 -3.141 -3.897 10 H THR 2 H THR 2 -12.650 -1.737 -8.068 11 HA THR 2 HA THR 2 -11.518 0.952 -7.701 12 HB THR 2 HB THR 2 -10.219 0.615 -9.674 13 HG1 THR 2 HG1 THR 2 -11.370 -1.941 -10.076 14 HG21 THR 2 1HG2 THR 2 -9.721 -2.091 -8.834 15 HG22 THR 2 2HG2 THR 2 -10.010 -1.060 -7.433 16 HG23 THR 2 3HG2 THR 2 -8.740 -0.647 -8.585 17 H PHE 3 H PHE 3 -12.219 2.673 -8.896 18 HA PHE 3 HA PHE 3 -14.695 2.249 -10.417 19 HB2 PHE 3 2HB PHE 3 -13.675 4.438 -8.697 20 HB3 PHE 3 3HB PHE 3 -14.618 4.922 -10.103 21 HD1 PHE 3 HD1 PHE 3 -14.817 2.287 -7.462 22 HD2 PHE 3 HD2 PHE 3 -16.833 5.300 -9.692 23 HE1 PHE 3 HE1 PHE 3 -16.891 1.806 -6.229 24 HE2 PHE 3 HE2 PHE 3 -18.910 4.825 -8.462 25 HZ PHE 3 HZ PHE 3 -18.942 3.077 -6.728 26 H LYS 4 H LYS 4 -14.768 2.620 -12.540 27 HA LYS 4 HA LYS 4 -12.385 3.778 -13.814 28 HB2 LYS 4 2HB LYS 4 -12.917 1.502 -14.515 29 HB3 LYS 4 3HB LYS 4 -14.546 1.997 -14.954 30 HG2 LYS 4 2HG LYS 4 -13.646 3.445 -16.697 31 HG3 LYS 4 3HG LYS 4 -12.006 2.970 -16.249 32 HD2 LYS 4 2HD LYS 4 -14.080 0.949 -17.051 33 HD3 LYS 4 3HD LYS 4 -13.081 1.782 -18.244 34 HE2 LYS 4 2HE LYS 4 -11.833 0.395 -15.902 35 HE3 LYS 4 3HE LYS 4 -12.310 -0.515 -17.334 36 HZ1 LYS 4 1HZ LYS 4 -10.626 1.893 -17.583 37 HZ2 LYS 4 2HZ LYS 4 -10.777 0.587 -18.646 38 HZ3 LYS 4 3HZ LYS 4 -9.933 0.400 -17.192 39 H LEU 5 H LEU 5 -12.600 5.861 -14.291 40 HA LEU 5 HA LEU 5 -15.224 6.995 -14.820 41 HB2 LEU 5 2HB LEU 5 -13.130 7.972 -13.475 42 HB3 LEU 5 3HB LEU 5 -12.769 8.634 -15.069 43 HG LEU 5 HG LEU 5 -15.258 9.126 -13.434 44 HD11 LEU 5 1HD1 LEU 5 -14.009 11.519 -14.090 45 HD12 LEU 5 2HD1 LEU 5 -12.693 10.442 -13.624 46 HD13 LEU 5 3HD1 LEU 5 -14.031 10.731 -12.512 47 HD21 LEU 5 1HD2 LEU 5 -14.509 9.895 -16.239 48 HD22 LEU 5 2HD2 LEU 5 -15.667 10.830 -15.293 49 HD23 LEU 5 3HD2 LEU 5 -15.991 9.135 -15.660 50 H ILE 6 H ILE 6 -15.990 6.761 -16.817 51 HA ILE 6 HA ILE 6 -14.133 7.097 -19.079 52 HB ILE 6 HB ILE 6 -16.790 5.660 -19.046 53 HG12 ILE 6 2HG1 ILE 6 -13.968 4.577 -19.194 54 HG13 ILE 6 3HG1 ILE 6 -15.044 4.453 -17.807 55 HG21 ILE 6 1HG2 ILE 6 -14.720 5.921 -21.224 56 HG22 ILE 6 2HG2 ILE 6 -16.171 4.924 -21.301 57 HG23 ILE 6 3HG2 ILE 6 -16.312 6.678 -21.203 58 HD11 ILE 6 1HD1 ILE 6 -15.250 3.087 -20.463 59 HD12 ILE 6 2HD1 ILE 6 -15.164 2.373 -18.851 60 HD13 ILE 6 3HD1 ILE 6 -16.627 3.211 -19.368 61 H ILE 7 H ILE 7 -14.245 9.235 -19.540 62 HA ILE 7 HA ILE 7 -16.684 10.726 -19.449 63 HB ILE 7 HB ILE 7 -14.029 11.443 -20.697 64 HG12 ILE 7 2HG1 ILE 7 -14.943 12.739 -18.204 65 HG13 ILE 7 3HG1 ILE 7 -14.525 11.036 -18.057 66 HG21 ILE 7 1HG2 ILE 7 -16.597 12.757 -20.735 67 HG22 ILE 7 2HG2 ILE 7 -15.378 13.760 -19.951 68 HG23 ILE 7 3HG2 ILE 7 -15.111 13.169 -21.591 69 HD11 ILE 7 1HD1 ILE 7 -12.815 13.345 -18.306 70 HD12 ILE 7 2HD1 ILE 7 -12.426 11.696 -17.815 71 HD13 ILE 7 3HD1 ILE 7 -12.446 12.126 -19.525 72 H ASN 8 H ASN 8 -18.250 10.579 -20.902 73 HA ASN 8 HA ASN 8 -17.605 9.733 -23.631 74 HB2 ASN 8 2HB ASN 8 -20.170 9.779 -22.046 75 HB3 ASN 8 3HB ASN 8 -20.154 9.516 -23.788 76 HD21 ASN 8 1HD2 ASN 8 -21.232 7.580 -22.384 77 HD22 ASN 8 2HD2 ASN 8 -20.186 6.211 -22.255 78 H GLY 9 H GLY 9 -17.312 11.285 -25.083 79 HA2 GLY 9 2HA GLY 9 -19.156 13.163 -25.861 80 HA3 GLY 9 3HA GLY 9 -18.183 13.977 -24.645 81 H LYS 10 H LYS 10 -18.329 14.837 -27.298 82 HA LYS 10 HA LYS 10 -15.934 13.916 -28.651 83 HB2 LYS 10 2HB LYS 10 -17.794 14.395 -30.070 84 HB3 LYS 10 3HB LYS 10 -18.027 15.977 -29.337 85 HG2 LYS 10 2HG LYS 10 -17.028 16.220 -31.514 86 HG3 LYS 10 3HG LYS 10 -15.874 16.707 -30.272 87 HD2 LYS 10 2HD LYS 10 -14.766 14.537 -30.442 88 HD3 LYS 10 3HD LYS 10 -15.932 14.030 -31.666 89 HE2 LYS 10 2HE LYS 10 -14.188 16.459 -31.990 90 HE3 LYS 10 3HE LYS 10 -13.678 14.851 -32.503 91 HZ1 LYS 10 1HZ LYS 10 -14.619 15.952 -34.367 92 HZ2 LYS 10 2HZ LYS 10 -16.003 16.397 -33.502 93 HZ3 LYS 10 3HZ LYS 10 -15.730 14.772 -33.881 94 H THR 11 H THR 11 -16.935 16.514 -26.594 95 HA THR 11 HA THR 11 -14.920 18.386 -27.243 96 HB THR 11 HB THR 11 -16.285 18.065 -24.565 97 HG1 THR 11 HG1 THR 11 -17.670 19.779 -25.595 98 HG21 THR 11 1HG2 THR 11 -14.735 20.260 -25.892 99 HG22 THR 11 2HG2 THR 11 -14.587 19.624 -24.253 100 HG23 THR 11 3HG2 THR 11 -15.964 20.637 -24.686 101 H LEU 12 H LEU 12 -15.136 15.952 -24.655 102 HA LEU 12 HA LEU 12 -12.208 15.913 -24.546 103 HB2 LEU 12 2HB LEU 12 -12.916 17.355 -22.731 104 HB3 LEU 12 3HB LEU 12 -14.042 16.123 -22.163 105 HG LEU 12 HG LEU 12 -11.149 15.435 -22.286 106 HD11 LEU 12 1HD1 LEU 12 -11.104 16.341 -19.852 107 HD12 LEU 12 2HD1 LEU 12 -12.386 17.410 -20.417 108 HD13 LEU 12 3HD1 LEU 12 -10.805 17.441 -21.199 109 HD21 LEU 12 1HD2 LEU 12 -11.887 14.329 -20.093 110 HD22 LEU 12 2HD2 LEU 12 -12.504 13.661 -21.605 111 HD23 LEU 12 3HD2 LEU 12 -13.530 14.702 -20.617 112 H LYS 13 H LYS 13 -11.312 13.931 -24.144 113 HA LYS 13 HA LYS 13 -13.126 11.703 -23.540 114 HB2 LYS 13 2HB LYS 13 -11.422 12.069 -25.951 115 HB3 LYS 13 3HB LYS 13 -11.504 10.455 -25.259 116 HG2 LYS 13 2HG LYS 13 -13.949 12.048 -25.968 117 HG3 LYS 13 3HG LYS 13 -13.141 10.965 -27.104 118 HD2 LYS 13 2HD LYS 13 -13.950 9.983 -24.393 119 HD3 LYS 13 3HD LYS 13 -15.138 10.082 -25.694 120 HE2 LYS 13 2HE LYS 13 -13.644 8.695 -27.101 121 HE3 LYS 13 3HE LYS 13 -12.551 8.532 -25.728 122 HZ1 LYS 13 1HZ LYS 13 -13.934 6.613 -25.821 123 HZ2 LYS 13 2HZ LYS 13 -15.343 7.545 -25.913 124 HZ3 LYS 13 3HZ LYS 13 -14.430 7.530 -24.488 125 H GLY 14 H GLY 14 -12.398 10.963 -21.648 126 HA2 GLY 14 2HA GLY 14 -9.536 10.309 -21.447 127 HA3 GLY 14 3HA GLY 14 -10.302 11.226 -20.160 128 H GLU 15 H GLU 15 -9.027 8.523 -20.226 129 HA GLU 15 HA GLU 15 -11.179 7.138 -18.819 130 HB2 GLU 15 2HB GLU 15 -9.603 5.977 -21.114 131 HB3 GLU 15 3HB GLU 15 -10.462 4.979 -19.949 132 HG2 GLU 15 2HG GLU 15 -12.563 5.894 -20.601 133 HG3 GLU 15 3HG GLU 15 -11.780 7.111 -21.608 134 H THR 16 H THR 16 -10.475 6.445 -16.917 135 HA THR 16 HA THR 16 -7.880 5.263 -16.574 136 HB THR 16 HB THR 16 -7.075 7.487 -16.399 137 HG1 THR 16 HG1 THR 16 -6.087 7.052 -14.584 138 HG21 THR 16 1HG2 THR 16 -9.020 8.804 -16.205 139 HG22 THR 16 2HG2 THR 16 -8.141 9.068 -14.699 140 HG23 THR 16 3HG2 THR 16 -9.529 7.982 -14.730 141 H THR 17 H THR 17 -7.712 4.076 -14.684 142 HA THR 17 HA THR 17 -10.067 4.107 -12.914 143 HB THR 17 HB THR 17 -8.578 1.601 -13.703 144 HG1 THR 17 HG1 THR 17 -9.983 1.339 -15.305 145 HG21 THR 17 1HG2 THR 17 -11.223 2.044 -12.311 146 HG22 THR 17 2HG2 THR 17 -9.731 1.489 -11.553 147 HG23 THR 17 3HG2 THR 17 -10.543 0.476 -12.748 148 H THR 18 H THR 18 -9.711 3.604 -10.739 149 HA THR 18 HA THR 18 -6.955 3.187 -9.861 150 HB THR 18 HB THR 18 -7.330 5.653 -9.897 151 HG1 THR 18 HG1 THR 18 -5.923 4.615 -8.341 152 HG21 THR 18 1HG2 THR 18 -9.836 5.084 -8.991 153 HG22 THR 18 2HG2 THR 18 -9.070 6.670 -8.890 154 HG23 THR 18 3HG2 THR 18 -9.031 5.581 -7.503 155 H GLU 19 H GLU 19 -6.783 2.510 -7.634 156 HA GLU 19 HA GLU 19 -9.040 0.878 -6.846 157 HB2 GLU 19 2HB GLU 19 -6.535 0.218 -6.800 158 HB3 GLU 19 3HB GLU 19 -6.476 1.132 -5.300 159 HG2 GLU 19 2HG GLU 19 -6.912 -0.908 -4.439 160 HG3 GLU 19 3HG GLU 19 -8.570 -0.389 -4.733 161 H ALA 20 H ALA 20 -10.022 0.925 -4.777 162 HA ALA 20 HA ALA 20 -9.569 3.310 -3.145 163 HB1 ALA 20 1HB ALA 20 -12.329 2.548 -4.084 164 HB2 ALA 20 2HB ALA 20 -11.870 3.954 -3.122 165 HB3 ALA 20 3HB ALA 20 -11.358 3.832 -4.804 166 H VAL 21 H VAL 21 -11.106 3.184 -1.148 167 HA VAL 21 HA VAL 21 -10.684 0.556 0.023 168 HB VAL 21 HB VAL 21 -11.288 1.618 2.154 169 HG11 VAL 21 1HG1 VAL 21 -8.966 1.679 1.345 170 HG12 VAL 21 2HG1 VAL 21 -9.286 3.242 0.588 171 HG13 VAL 21 3HG1 VAL 21 -9.362 3.078 2.342 172 HG21 VAL 21 1HG2 VAL 21 -12.744 3.320 1.987 173 HG22 VAL 21 2HG2 VAL 21 -11.305 4.312 1.741 174 HG23 VAL 21 3HG2 VAL 21 -12.225 3.733 0.352 175 H ASP 22 H ASP 22 -13.315 2.688 -0.891 176 HA ASP 22 HA ASP 22 -15.177 0.467 -0.646 177 HB2 ASP 22 2HB ASP 22 -15.082 2.015 1.502 178 HB3 ASP 22 3HB ASP 22 -16.096 3.062 0.512 179 H ALA 23 H ALA 23 -17.471 1.362 -1.366 180 HA ALA 23 HA ALA 23 -17.118 2.285 -4.042 181 HB1 ALA 23 1HB ALA 23 -19.273 1.187 -2.433 182 HB2 ALA 23 2HB ALA 23 -19.822 2.458 -3.525 183 HB3 ALA 23 3HB ALA 23 -18.971 1.052 -4.166 184 H ALA 24 H ALA 24 -18.591 3.701 -1.131 185 HA ALA 24 HA ALA 24 -19.316 6.152 -2.338 186 HB1 ALA 24 1HB ALA 24 -18.723 6.313 0.512 187 HB2 ALA 24 2HB ALA 24 -20.232 6.609 -0.352 188 HB3 ALA 24 3HB ALA 24 -19.776 4.964 0.089 189 H THR 25 H THR 25 -16.437 5.106 -0.576 190 HA THR 25 HA THR 25 -15.187 7.627 -0.413 191 HB THR 25 HB THR 25 -13.049 6.011 -0.423 192 HG1 THR 25 HG1 THR 25 -14.525 4.214 -1.008 193 HG21 THR 25 1HG2 THR 25 -13.304 5.806 1.977 194 HG22 THR 25 2HG2 THR 25 -15.037 6.103 1.848 195 HG23 THR 25 3HG2 THR 25 -13.892 7.385 1.458 196 H ALA 26 H ALA 26 -15.297 5.193 -2.928 197 HA ALA 26 HA ALA 26 -13.226 6.447 -4.506 198 HB1 ALA 26 1HB ALA 26 -14.062 3.915 -4.392 199 HB2 ALA 26 2HB ALA 26 -15.050 4.472 -5.743 200 HB3 ALA 26 3HB ALA 26 -13.292 4.603 -5.822 201 H GLU 27 H GLU 27 -16.717 6.463 -4.328 202 HA GLU 27 HA GLU 27 -17.098 7.760 -6.861 203 HB2 GLU 27 2HB GLU 27 -18.861 6.362 -5.945 204 HB3 GLU 27 3HB GLU 27 -18.962 7.378 -4.513 205 HG2 GLU 27 2HG GLU 27 -19.644 9.265 -5.986 206 HG3 GLU 27 3HG GLU 27 -19.704 8.125 -7.329 207 H LYS 28 H LYS 28 -17.084 8.782 -3.470 208 HA LYS 28 HA LYS 28 -17.826 11.444 -3.827 209 HB2 LYS 28 2HB LYS 28 -16.821 11.867 -1.665 210 HB3 LYS 28 3HB LYS 28 -17.646 10.314 -1.631 211 HG2 LYS 28 2HG LYS 28 -15.536 9.152 -1.862 212 HG3 LYS 28 3HG LYS 28 -14.681 10.690 -1.998 213 HD2 LYS 28 2HD LYS 28 -16.373 10.054 0.397 214 HD3 LYS 28 3HD LYS 28 -14.700 9.500 0.284 215 HE2 LYS 28 2HE LYS 28 -15.304 12.367 -0.258 216 HE3 LYS 28 3HE LYS 28 -15.312 11.802 1.412 217 HZ1 LYS 28 1HZ LYS 28 -13.045 11.436 -0.469 218 HZ2 LYS 28 2HZ LYS 28 -13.062 11.053 1.178 219 HZ3 LYS 28 3HZ LYS 28 -13.141 12.670 0.685 220 H VAL 29 H VAL 29 -14.825 9.834 -4.481 221 HA VAL 29 HA VAL 29 -13.338 12.316 -4.743 222 HB VAL 29 HB VAL 29 -12.497 9.478 -5.351 223 HG11 VAL 29 1HG1 VAL 29 -10.934 10.604 -6.544 224 HG12 VAL 29 2HG1 VAL 29 -11.155 12.099 -5.631 225 HG13 VAL 29 3HG1 VAL 29 -10.196 10.782 -4.952 226 HG21 VAL 29 1HG2 VAL 29 -11.403 9.463 -3.243 227 HG22 VAL 29 2HG2 VAL 29 -11.729 11.177 -2.986 228 HG23 VAL 29 3HG2 VAL 29 -13.054 10.012 -2.954 229 H PHE 30 H PHE 30 -14.123 9.578 -6.893 230 HA PHE 30 HA PHE 30 -13.259 10.748 -9.268 231 HB2 PHE 30 2HB PHE 30 -15.041 8.505 -8.535 232 HB3 PHE 30 3HB PHE 30 -15.273 9.166 -10.151 233 HD1 PHE 30 HD1 PHE 30 -12.824 9.705 -11.292 234 HD2 PHE 30 HD2 PHE 30 -13.719 6.646 -8.472 235 HE1 PHE 30 HE1 PHE 30 -10.901 8.402 -12.102 236 HE2 PHE 30 HE2 PHE 30 -11.797 5.337 -9.276 237 HZ PHE 30 HZ PHE 30 -10.385 6.215 -11.094 238 H LYS 31 H LYS 31 -16.096 11.327 -7.397 239 HA LYS 31 HA LYS 31 -17.736 12.422 -9.436 240 HB2 LYS 31 2HB LYS 31 -18.693 11.680 -7.332 241 HB3 LYS 31 3HB LYS 31 -17.739 12.861 -6.445 242 HG2 LYS 31 2HG LYS 31 -18.951 14.657 -7.683 243 HG3 LYS 31 3HG LYS 31 -19.992 13.405 -8.363 244 HD2 LYS 31 2HD LYS 31 -21.051 13.014 -6.376 245 HD3 LYS 31 3HD LYS 31 -19.645 13.473 -5.412 246 HE2 LYS 31 2HE LYS 31 -21.105 15.224 -5.023 247 HE3 LYS 31 3HE LYS 31 -20.108 15.853 -6.334 248 HZ1 LYS 31 1HZ LYS 31 -22.173 16.327 -7.124 249 HZ2 LYS 31 2HZ LYS 31 -22.909 15.003 -6.372 250 HZ3 LYS 31 3HZ LYS 31 -21.994 14.777 -7.777 251 H GLN 32 H GLN 32 -15.209 13.725 -7.402 252 HA GLN 32 HA GLN 32 -15.763 16.456 -8.218 253 HB2 GLN 32 2HB GLN 32 -15.051 16.208 -5.955 254 HB3 GLN 32 3HB GLN 32 -13.673 15.222 -6.428 255 HG2 GLN 32 2HG GLN 32 -12.678 17.169 -7.538 256 HG3 GLN 32 3HG GLN 32 -14.046 18.150 -7.016 257 HE21 GLN 32 1HE2 GLN 32 -12.133 15.687 -5.338 258 HE22 GLN 32 2HE2 GLN 32 -11.639 16.710 -4.035 259 H TYR 33 H TYR 33 -13.802 13.811 -9.193 260 HA TYR 33 HA TYR 33 -11.614 15.049 -10.358 261 HB2 TYR 33 2HB TYR 33 -12.851 12.470 -10.455 262 HB3 TYR 33 3HB TYR 33 -12.419 12.951 -12.092 263 HD1 TYR 33 HD1 TYR 33 -9.945 14.359 -11.859 264 HD2 TYR 33 HD2 TYR 33 -11.287 10.983 -9.642 265 HE1 TYR 33 HE1 TYR 33 -7.610 13.717 -11.432 266 HE2 TYR 33 HE2 TYR 33 -8.955 10.334 -9.209 267 HH TYR 33 HH TYR 33 -6.688 11.570 -9.108 268 H PHE 34 H PHE 34 -14.628 14.106 -12.020 269 HA PHE 34 HA PHE 34 -13.990 15.604 -14.363 270 HB2 PHE 34 2HB PHE 34 -16.036 14.843 -15.235 271 HB3 PHE 34 3HB PHE 34 -15.517 13.542 -14.168 272 HD1 PHE 34 HD1 PHE 34 -16.690 13.073 -12.114 273 HD2 PHE 34 HD2 PHE 34 -17.925 16.246 -14.669 274 HE1 PHE 34 HE1 PHE 34 -18.830 13.208 -10.907 275 HE2 PHE 34 HE2 PHE 34 -20.066 16.386 -13.466 276 HZ PHE 34 HZ PHE 34 -20.521 14.866 -11.582 277 H ASN 35 H ASN 35 -15.529 16.330 -11.368 278 HA ASN 35 HA ASN 35 -17.177 18.464 -12.106 279 HB2 ASN 35 2HB ASN 35 -17.332 17.521 -9.893 280 HB3 ASN 35 3HB ASN 35 -15.661 17.953 -9.540 281 HD21 ASN 35 1HD2 ASN 35 -15.604 19.530 -8.124 282 HD22 ASN 35 2HD2 ASN 35 -16.628 20.921 -8.100 283 H ASP 36 H ASP 36 -13.814 18.531 -10.931 284 HA ASP 36 HA ASP 36 -13.463 21.310 -11.256 285 HB2 ASP 36 2HB ASP 36 -12.001 19.954 -9.826 286 HB3 ASP 36 3HB ASP 36 -11.387 19.109 -11.244 287 H ASN 37 H ASN 37 -13.364 18.671 -13.480 288 HA ASN 37 HA ASN 37 -11.789 19.941 -15.490 289 HB2 ASN 37 2HB ASN 37 -12.389 17.413 -15.165 290 HB3 ASN 37 3HB ASN 37 -13.816 17.821 -16.114 291 HD21 ASN 37 1HD2 ASN 37 -11.075 16.348 -16.459 292 HD22 ASN 37 2HD2 ASN 37 -10.592 16.844 -18.042 293 H GLY 38 H GLY 38 -15.028 20.273 -14.458 294 HA2 GLY 38 2HA GLY 38 -16.633 21.780 -15.157 295 HA3 GLY 38 3HA GLY 38 -15.523 22.319 -16.409 296 H ILE 39 H ILE 39 -16.602 19.001 -15.945 297 HA ILE 39 HA ILE 39 -17.628 18.998 -18.670 298 HB ILE 39 HB ILE 39 -17.283 16.714 -16.724 299 HG12 ILE 39 2HG1 ILE 39 -15.648 17.245 -19.195 300 HG13 ILE 39 3HG1 ILE 39 -15.213 17.949 -17.642 301 HG21 ILE 39 1HG2 ILE 39 -18.202 16.832 -19.576 302 HG22 ILE 39 2HG2 ILE 39 -17.475 15.375 -18.901 303 HG23 ILE 39 3HG2 ILE 39 -18.957 16.026 -18.201 304 HD11 ILE 39 1HD1 ILE 39 -13.990 15.876 -18.156 305 HD12 ILE 39 2HD1 ILE 39 -14.948 15.762 -16.679 306 HD13 ILE 39 3HD1 ILE 39 -15.523 15.003 -18.164 307 H ASP 40 H ASP 40 -19.695 19.407 -19.046 308 HA ASP 40 HA ASP 40 -21.658 18.919 -16.920 309 HB2 ASP 40 2HB ASP 40 -23.083 20.504 -18.019 310 HB3 ASP 40 3HB ASP 40 -21.475 21.214 -17.928 311 H GLY 41 H GLY 41 -23.176 17.388 -17.105 312 HA2 GLY 41 2HA GLY 41 -24.522 16.530 -19.331 313 HA3 GLY 41 3HA GLY 41 -23.060 15.556 -19.309 314 H GLU 42 H GLU 42 -24.514 13.733 -19.075 315 HA GLU 42 HA GLU 42 -25.901 13.494 -16.527 316 HB2 GLU 42 2HB GLU 42 -26.987 12.695 -18.596 317 HB3 GLU 42 3HB GLU 42 -25.688 11.532 -18.817 318 HG2 GLU 42 2HG GLU 42 -27.295 10.223 -17.857 319 HG3 GLU 42 3HG GLU 42 -26.383 10.729 -16.437 320 H TRP 43 H TRP 43 -24.250 13.370 -15.019 321 HA TRP 43 HA TRP 43 -22.226 11.294 -15.315 322 HB2 TRP 43 2HB TRP 43 -21.313 12.248 -13.196 323 HB3 TRP 43 3HB TRP 43 -21.443 13.427 -14.498 324 HD1 TRP 43 HD1 TRP 43 -23.188 15.412 -14.193 325 HE1 TRP 43 HE1 TRP 43 -24.442 16.318 -12.136 326 HE3 TRP 43 HE3 TRP 43 -22.423 11.501 -10.990 327 HZ2 TRP 43 HZ2 TRP 43 -25.030 15.485 -9.504 328 HZ3 TRP 43 HZ3 TRP 43 -23.365 11.635 -8.721 329 HH2 TRP 43 HH2 TRP 43 -24.640 13.587 -7.995 330 H THR 44 H THR 44 -22.351 9.354 -14.396 331 HA THR 44 HA THR 44 -23.738 8.904 -11.922 332 HB THR 44 HB THR 44 -25.080 6.975 -13.205 333 HG1 THR 44 HG1 THR 44 -24.521 8.963 -15.108 334 HG21 THR 44 1HG2 THR 44 -26.249 9.735 -13.244 335 HG22 THR 44 2HG2 THR 44 -25.854 8.950 -11.715 336 HG23 THR 44 3HG2 THR 44 -27.015 8.206 -12.814 337 H TYR 45 H TYR 45 -23.721 6.507 -11.367 338 HA TYR 45 HA TYR 45 -21.225 5.327 -12.392 339 HB2 TYR 45 2HB TYR 45 -21.277 4.066 -10.162 340 HB3 TYR 45 3HB TYR 45 -20.902 5.785 -10.102 341 HD1 TYR 45 HD1 TYR 45 -23.580 3.293 -9.534 342 HD2 TYR 45 HD2 TYR 45 -22.275 7.292 -8.896 343 HE1 TYR 45 HE1 TYR 45 -25.411 3.627 -7.927 344 HE2 TYR 45 HE2 TYR 45 -24.102 7.638 -7.287 345 HH TYR 45 HH TYR 45 -25.526 5.958 -5.730 346 H ASP 46 H ASP 46 -21.237 3.320 -13.227 347 HA ASP 46 HA ASP 46 -23.790 2.072 -13.730 348 HB2 ASP 46 2HB ASP 46 -21.683 2.262 -15.297 349 HB3 ASP 46 3HB ASP 46 -21.183 0.794 -14.462 350 H ASP 47 H ASP 47 -24.600 0.266 -12.820 351 HA ASP 47 HA ASP 47 -23.479 -0.642 -10.353 352 HB2 ASP 47 2HB ASP 47 -25.978 -0.499 -11.085 353 HB3 ASP 47 3HB ASP 47 -25.681 -2.083 -11.795 354 H ALA 48 H ALA 48 -23.202 -1.610 -13.633 355 HA ALA 48 HA ALA 48 -22.732 -4.324 -13.496 356 HB1 ALA 48 1HB ALA 48 -21.209 -3.967 -15.458 357 HB2 ALA 48 2HB ALA 48 -22.815 -3.256 -15.620 358 HB3 ALA 48 3HB ALA 48 -21.433 -2.233 -15.229 359 H THR 49 H THR 49 -20.013 -2.055 -13.786 360 HA THR 49 HA THR 49 -18.589 -3.607 -11.725 361 HB THR 49 HB THR 49 -16.554 -3.559 -12.964 362 HG1 THR 49 HG1 THR 49 -16.439 -2.491 -14.999 363 HG21 THR 49 1HG2 THR 49 -17.142 -4.795 -15.012 364 HG22 THR 49 2HG2 THR 49 -18.821 -4.290 -14.823 365 HG23 THR 49 3HG2 THR 49 -18.076 -5.344 -13.621 366 H LYS 50 H LYS 50 -20.021 -1.156 -11.375 367 HA LYS 50 HA LYS 50 -19.803 0.929 -10.488 368 HB2 LYS 50 2HB LYS 50 -17.037 0.001 -9.704 369 HB3 LYS 50 3HB LYS 50 -17.999 1.250 -8.923 370 HG2 LYS 50 2HG LYS 50 -18.844 -1.631 -9.059 371 HG3 LYS 50 3HG LYS 50 -17.897 -0.955 -7.731 372 HD2 LYS 50 2HD LYS 50 -19.754 0.781 -7.515 373 HD3 LYS 50 3HD LYS 50 -20.703 -0.270 -8.569 374 HE2 LYS 50 2HE LYS 50 -20.461 -2.101 -6.982 375 HE3 LYS 50 3HE LYS 50 -19.461 -1.087 -5.943 376 HZ1 LYS 50 1HZ LYS 50 -21.249 -0.121 -5.070 377 HZ2 LYS 50 2HZ LYS 50 -22.155 -1.367 -5.767 378 HZ3 LYS 50 3HZ LYS 50 -21.989 0.110 -6.574 379 H THR 51 H THR 51 -19.350 0.929 -13.173 380 HA THR 51 HA THR 51 -16.929 2.507 -13.634 381 HB THR 51 HB THR 51 -18.936 1.494 -15.657 382 HG1 THR 51 HG1 THR 51 -17.060 0.021 -16.078 383 HG21 THR 51 1HG2 THR 51 -17.733 3.364 -16.545 384 HG22 THR 51 2HG2 THR 51 -17.033 1.904 -17.242 385 HG23 THR 51 3HG2 THR 51 -16.203 2.742 -15.931 386 H PHE 52 H PHE 52 -17.021 4.645 -13.571 387 HA PHE 52 HA PHE 52 -19.545 6.025 -13.497 388 HB2 PHE 52 2HB PHE 52 -17.342 6.577 -12.211 389 HB3 PHE 52 3HB PHE 52 -16.890 7.410 -13.695 390 HD1 PHE 52 HD1 PHE 52 -17.378 9.642 -13.852 391 HD2 PHE 52 HD2 PHE 52 -19.789 7.176 -11.358 392 HE1 PHE 52 HE1 PHE 52 -18.651 11.621 -13.131 393 HE2 PHE 52 HE2 PHE 52 -21.066 9.149 -10.634 394 HZ PHE 52 HZ PHE 52 -20.498 11.377 -11.520 395 H THR 53 H THR 53 -20.555 7.036 -15.115 396 HA THR 53 HA THR 53 -19.079 7.475 -17.627 397 HB THR 53 HB THR 53 -22.005 6.787 -17.604 398 HG1 THR 53 HG1 THR 53 -21.170 4.603 -18.173 399 HG21 THR 53 1HG2 THR 53 -19.829 7.030 -19.616 400 HG22 THR 53 2HG2 THR 53 -21.524 7.509 -19.719 401 HG23 THR 53 3HG2 THR 53 -21.074 5.813 -19.893 402 H ILE 54 H ILE 54 -19.667 9.283 -18.851 403 HA ILE 54 HA ILE 54 -21.536 11.164 -17.580 404 HB ILE 54 HB ILE 54 -18.811 11.891 -18.664 405 HG12 ILE 54 2HG1 ILE 54 -19.901 11.954 -15.842 406 HG13 ILE 54 3HG1 ILE 54 -18.718 10.808 -16.460 407 HG21 ILE 54 1HG2 ILE 54 -19.575 13.959 -18.905 408 HG22 ILE 54 2HG2 ILE 54 -21.179 13.435 -18.396 409 HG23 ILE 54 3HG2 ILE 54 -20.014 13.997 -17.197 410 HD11 ILE 54 1HD1 ILE 54 -17.549 12.448 -15.215 411 HD12 ILE 54 2HD1 ILE 54 -17.216 12.753 -16.922 412 HD13 ILE 54 3HD1 ILE 54 -18.373 13.763 -16.054 413 H THR 55 H THR 55 -23.136 11.011 -19.075 414 HA THR 55 HA THR 55 -22.574 11.034 -21.904 415 HB THR 55 HB THR 55 -25.331 11.489 -20.849 416 HG1 THR 55 HG1 THR 55 -25.318 9.035 -20.716 417 HG21 THR 55 1HG2 THR 55 -24.984 11.348 -23.252 418 HG22 THR 55 2HG2 THR 55 -25.894 9.945 -22.689 419 HG23 THR 55 3HG2 THR 55 -24.177 9.791 -23.065 420 H GLU 56 H GLU 56 -21.794 12.923 -22.660 421 HA GLU 56 HA GLU 56 -22.726 15.464 -21.696 422 HB2 GLU 56 2HB GLU 56 -20.795 14.592 -23.822 423 HB3 GLU 56 3HB GLU 56 -21.312 16.270 -23.724 424 HG2 GLU 56 2HG GLU 56 -20.608 16.053 -21.228 425 HG3 GLU 56 3HG GLU 56 -19.667 14.682 -21.814 Start of MODEL 10 1 H1 MET 1 H MET 1 -12.447 -1.195 -3.886 2 HA MET 1 HA MET 1 -13.612 -2.415 -6.302 3 HB2 MET 1 2HB MET 1 -14.823 -0.436 -4.381 4 HB3 MET 1 3HB MET 1 -15.436 -0.641 -6.017 5 HG2 MET 1 2HG MET 1 -16.816 -2.045 -4.867 6 HG3 MET 1 3HG MET 1 -15.538 -3.163 -5.340 7 HE1 MET 1 1HE MET 1 -16.053 -5.003 -3.341 8 HE2 MET 1 2HE MET 1 -16.642 -4.409 -1.788 9 HE3 MET 1 3HE MET 1 -17.491 -3.984 -3.275 10 H THR 2 H THR 2 -12.688 -1.619 -8.063 11 HA THR 2 HA THR 2 -11.447 1.024 -7.984 12 HB THR 2 HB THR 2 -10.359 0.428 -10.063 13 HG1 THR 2 HG1 THR 2 -10.851 -1.469 -11.139 14 HG21 THR 2 1HG2 THR 2 -8.848 -0.637 -8.821 15 HG22 THR 2 2HG2 THR 2 -9.772 -2.129 -8.992 16 HG23 THR 2 3HG2 THR 2 -10.087 -1.047 -7.636 17 H PHE 3 H PHE 3 -12.091 2.737 -9.199 18 HA PHE 3 HA PHE 3 -14.584 2.395 -10.728 19 HB2 PHE 3 2HB PHE 3 -13.588 4.540 -8.927 20 HB3 PHE 3 3HB PHE 3 -14.544 5.039 -10.318 21 HD1 PHE 3 HD1 PHE 3 -14.623 2.571 -7.526 22 HD2 PHE 3 HD2 PHE 3 -16.829 5.143 -10.102 23 HE1 PHE 3 HE1 PHE 3 -16.683 2.029 -6.296 24 HE2 PHE 3 HE2 PHE 3 -18.893 4.606 -8.875 25 HZ PHE 3 HZ PHE 3 -18.823 3.048 -6.969 26 H LYS 4 H LYS 4 -14.794 3.333 -12.747 27 HA LYS 4 HA LYS 4 -12.339 4.468 -13.914 28 HB2 LYS 4 2HB LYS 4 -12.519 2.221 -14.744 29 HB3 LYS 4 3HB LYS 4 -14.222 2.440 -15.123 30 HG2 LYS 4 2HG LYS 4 -13.737 3.866 -16.937 31 HG3 LYS 4 3HG LYS 4 -12.054 4.050 -16.438 32 HD2 LYS 4 2HD LYS 4 -12.066 2.546 -18.278 33 HD3 LYS 4 3HD LYS 4 -11.783 1.577 -16.830 34 HE2 LYS 4 2HE LYS 4 -13.855 0.597 -16.917 35 HE3 LYS 4 3HE LYS 4 -14.585 1.960 -17.762 36 HZ1 LYS 4 1HZ LYS 4 -14.466 0.301 -19.360 37 HZ2 LYS 4 2HZ LYS 4 -12.933 -0.220 -18.871 38 HZ3 LYS 4 3HZ LYS 4 -13.104 1.246 -19.698 39 H LEU 5 H LEU 5 -12.625 6.432 -14.727 40 HA LEU 5 HA LEU 5 -15.349 7.385 -15.205 41 HB2 LEU 5 2HB LEU 5 -12.875 9.070 -15.324 42 HB3 LEU 5 3HB LEU 5 -14.530 9.561 -14.978 43 HG LEU 5 HG LEU 5 -14.142 8.012 -12.855 44 HD11 LEU 5 1HD1 LEU 5 -11.429 8.644 -13.886 45 HD12 LEU 5 2HD1 LEU 5 -12.010 7.221 -13.021 46 HD13 LEU 5 3HD1 LEU 5 -11.699 8.720 -12.145 47 HD21 LEU 5 1HD2 LEU 5 -14.488 10.627 -13.247 48 HD22 LEU 5 2HD2 LEU 5 -12.833 10.659 -12.641 49 HD23 LEU 5 3HD2 LEU 5 -14.116 9.943 -11.665 50 H ILE 6 H ILE 6 -16.088 7.117 -17.203 51 HA ILE 6 HA ILE 6 -14.219 7.434 -19.456 52 HB ILE 6 HB ILE 6 -16.917 6.084 -19.527 53 HG12 ILE 6 2HG1 ILE 6 -14.175 4.822 -19.302 54 HG13 ILE 6 3HG1 ILE 6 -15.367 4.896 -18.009 55 HG21 ILE 6 1HG2 ILE 6 -14.603 6.095 -21.461 56 HG22 ILE 6 2HG2 ILE 6 -16.074 5.139 -21.635 57 HG23 ILE 6 3HG2 ILE 6 -16.157 6.900 -21.679 58 HD11 ILE 6 1HD1 ILE 6 -16.630 3.746 -20.257 59 HD12 ILE 6 2HD1 ILE 6 -15.069 2.950 -20.050 60 HD13 ILE 6 3HD1 ILE 6 -16.223 2.990 -18.717 61 H ILE 7 H ILE 7 -14.311 9.566 -19.948 62 HA ILE 7 HA ILE 7 -16.841 10.971 -20.034 63 HB ILE 7 HB ILE 7 -14.097 11.940 -20.841 64 HG12 ILE 7 2HG1 ILE 7 -14.539 13.220 -18.551 65 HG13 ILE 7 3HG1 ILE 7 -15.524 11.800 -18.224 66 HG21 ILE 7 1HG2 ILE 7 -15.163 14.191 -20.446 67 HG22 ILE 7 2HG2 ILE 7 -15.725 13.316 -21.868 68 HG23 ILE 7 3HG2 ILE 7 -16.715 13.356 -20.410 69 HD11 ILE 7 1HD1 ILE 7 -13.733 10.432 -18.049 70 HD12 ILE 7 2HD1 ILE 7 -12.783 11.337 -19.227 71 HD13 ILE 7 3HD1 ILE 7 -12.957 11.945 -17.580 72 H ASN 8 H ASN 8 -18.137 10.621 -21.716 73 HA ASN 8 HA ASN 8 -17.031 9.996 -24.332 74 HB2 ASN 8 2HB ASN 8 -19.129 8.926 -23.153 75 HB3 ASN 8 3HB ASN 8 -19.966 10.319 -23.831 76 HD21 ASN 8 1HD2 ASN 8 -20.288 7.506 -24.450 77 HD22 ASN 8 2HD2 ASN 8 -19.968 7.341 -26.140 78 H GLY 9 H GLY 9 -16.093 11.999 -24.887 79 HA2 GLY 9 2HA GLY 9 -18.081 14.048 -25.641 80 HA3 GLY 9 3HA GLY 9 -16.543 14.489 -24.914 81 H LYS 10 H LYS 10 -17.480 15.417 -27.421 82 HA LYS 10 HA LYS 10 -16.076 13.935 -29.473 83 HB2 LYS 10 2HB LYS 10 -18.143 14.997 -30.103 84 HB3 LYS 10 3HB LYS 10 -17.579 16.555 -29.515 85 HG2 LYS 10 2HG LYS 10 -16.556 17.019 -31.434 86 HG3 LYS 10 3HG LYS 10 -15.809 15.422 -31.517 87 HD2 LYS 10 2HD LYS 10 -17.277 15.770 -33.422 88 HD3 LYS 10 3HD LYS 10 -17.916 14.497 -32.380 89 HE2 LYS 10 2HE LYS 10 -19.535 15.993 -31.441 90 HE3 LYS 10 3HE LYS 10 -18.810 17.373 -32.266 91 HZ1 LYS 10 1HZ LYS 10 -20.139 15.070 -33.590 92 HZ2 LYS 10 2HZ LYS 10 -19.446 16.393 -34.382 93 HZ3 LYS 10 3HZ LYS 10 -20.803 16.615 -33.397 94 H THR 11 H THR 11 -15.531 16.693 -27.427 95 HA THR 11 HA THR 11 -13.038 17.301 -28.865 96 HB THR 11 HB THR 11 -14.427 18.988 -26.775 97 HG1 THR 11 HG1 THR 11 -14.888 20.289 -28.739 98 HG21 THR 11 1HG2 THR 11 -12.870 20.651 -28.273 99 HG22 THR 11 2HG2 THR 11 -11.884 19.188 -28.231 100 HG23 THR 11 3HG2 THR 11 -12.393 19.954 -26.727 101 H LEU 12 H LEU 12 -14.353 16.197 -25.845 102 HA LEU 12 HA LEU 12 -11.620 16.004 -24.757 103 HB2 LEU 12 2HB LEU 12 -13.153 17.559 -23.544 104 HB3 LEU 12 3HB LEU 12 -14.178 16.174 -23.176 105 HG LEU 12 HG LEU 12 -11.316 16.082 -22.355 106 HD11 LEU 12 1HD1 LEU 12 -13.456 17.717 -21.011 107 HD12 LEU 12 2HD1 LEU 12 -11.881 18.260 -21.587 108 HD13 LEU 12 3HD1 LEU 12 -11.986 17.174 -20.201 109 HD21 LEU 12 1HD2 LEU 12 -13.208 15.236 -20.401 110 HD22 LEU 12 2HD2 LEU 12 -12.038 14.271 -21.302 111 HD23 LEU 12 3HD2 LEU 12 -13.653 14.541 -21.959 112 H LYS 13 H LYS 13 -11.050 14.108 -23.652 113 HA LYS 13 HA LYS 13 -12.897 11.918 -23.415 114 HB2 LYS 13 2HB LYS 13 -11.963 12.075 -25.884 115 HB3 LYS 13 3HB LYS 13 -10.556 11.303 -25.164 116 HG2 LYS 13 2HG LYS 13 -11.751 9.485 -25.875 117 HG3 LYS 13 3HG LYS 13 -12.316 9.631 -24.210 118 HD2 LYS 13 2HD LYS 13 -14.179 11.115 -25.236 119 HD3 LYS 13 3HD LYS 13 -13.721 10.344 -26.757 120 HE2 LYS 13 2HE LYS 13 -14.481 8.846 -24.254 121 HE3 LYS 13 3HE LYS 13 -15.603 9.225 -25.559 122 HZ1 LYS 13 1HZ LYS 13 -13.531 8.070 -26.856 123 HZ2 LYS 13 2HZ LYS 13 -14.956 7.280 -26.401 124 HZ3 LYS 13 3HZ LYS 13 -13.584 7.184 -25.415 125 H GLY 14 H GLY 14 -12.385 11.225 -21.444 126 HA2 GLY 14 2HA GLY 14 -9.531 10.757 -20.849 127 HA3 GLY 14 3HA GLY 14 -10.588 11.523 -19.674 128 H GLU 15 H GLU 15 -9.037 8.841 -19.966 129 HA GLU 15 HA GLU 15 -11.150 7.249 -18.721 130 HB2 GLU 15 2HB GLU 15 -9.336 6.034 -20.798 131 HB3 GLU 15 3HB GLU 15 -10.758 5.319 -20.050 132 HG2 GLU 15 2HG GLU 15 -12.102 7.146 -21.165 133 HG3 GLU 15 3HG GLU 15 -10.647 7.520 -22.088 134 H THR 16 H THR 16 -10.454 6.441 -16.864 135 HA THR 16 HA THR 16 -7.816 5.341 -16.565 136 HB THR 16 HB THR 16 -7.122 7.576 -16.177 137 HG1 THR 16 HG1 THR 16 -6.581 7.474 -13.930 138 HG21 THR 16 1HG2 THR 16 -9.597 7.814 -14.475 139 HG22 THR 16 2HG2 THR 16 -9.173 8.742 -15.913 140 HG23 THR 16 3HG2 THR 16 -8.275 8.979 -14.414 141 H THR 17 H THR 17 -7.644 3.983 -14.801 142 HA THR 17 HA THR 17 -9.913 3.859 -12.947 143 HB THR 17 HB THR 17 -8.798 1.316 -14.088 144 HG1 THR 17 HG1 THR 17 -10.606 3.106 -15.267 145 HG21 THR 17 1HG2 THR 17 -11.509 1.994 -12.946 146 HG22 THR 17 2HG2 THR 17 -10.184 1.285 -12.024 147 HG23 THR 17 3HG2 THR 17 -10.904 0.390 -13.361 148 H THR 18 H THR 18 -9.465 2.846 -10.945 149 HA THR 18 HA THR 18 -6.954 1.705 -10.301 150 HB THR 18 HB THR 18 -6.079 3.945 -10.497 151 HG1 THR 18 HG1 THR 18 -5.425 4.228 -8.250 152 HG21 THR 18 1HG2 THR 18 -6.953 5.753 -8.991 153 HG22 THR 18 2HG2 THR 18 -8.331 4.710 -8.640 154 HG23 THR 18 3HG2 THR 18 -8.053 5.281 -10.285 155 H GLU 19 H GLU 19 -6.741 1.245 -7.984 156 HA GLU 19 HA GLU 19 -9.333 0.683 -6.832 157 HB2 GLU 19 2HB GLU 19 -7.304 -0.890 -6.856 158 HB3 GLU 19 3HB GLU 19 -6.669 0.106 -5.554 159 HG2 GLU 19 2HG GLU 19 -9.429 -0.919 -5.254 160 HG3 GLU 19 3HG GLU 19 -8.110 -2.082 -5.123 161 H ALA 20 H ALA 20 -9.938 1.253 -4.672 162 HA ALA 20 HA ALA 20 -8.517 3.541 -3.511 163 HB1 ALA 20 1HB ALA 20 -10.909 3.788 -4.951 164 HB2 ALA 20 2HB ALA 20 -11.348 3.943 -3.250 165 HB3 ALA 20 3HB ALA 20 -10.126 5.007 -3.946 166 H VAL 21 H VAL 21 -9.980 4.149 -1.393 167 HA VAL 21 HA VAL 21 -9.455 2.168 0.474 168 HB VAL 21 HB VAL 21 -11.516 4.369 0.674 169 HG11 VAL 21 1HG1 VAL 21 -10.665 3.983 3.195 170 HG12 VAL 21 2HG1 VAL 21 -12.088 3.191 2.515 171 HG13 VAL 21 3HG1 VAL 21 -10.545 2.336 2.579 172 HG21 VAL 21 1HG2 VAL 21 -9.490 5.284 2.119 173 HG22 VAL 21 2HG2 VAL 21 -8.565 4.280 1.003 174 HG23 VAL 21 3HG2 VAL 21 -9.597 5.567 0.382 175 H ASP 22 H ASP 22 -12.606 3.044 -0.943 176 HA ASP 22 HA ASP 22 -13.472 0.295 -0.825 177 HB2 ASP 22 2HB ASP 22 -14.669 2.401 0.963 178 HB3 ASP 22 3HB ASP 22 -15.592 0.990 0.455 179 H ALA 23 H ALA 23 -16.054 0.407 -1.348 180 HA ALA 23 HA ALA 23 -16.164 1.498 -3.982 181 HB1 ALA 23 1HB ALA 23 -18.351 0.262 -2.311 182 HB2 ALA 23 2HB ALA 23 -18.433 0.585 -4.044 183 HB3 ALA 23 3HB ALA 23 -17.280 -0.595 -3.421 184 H ALA 24 H ALA 24 -17.376 2.480 -0.846 185 HA ALA 24 HA ALA 24 -18.995 4.613 -1.960 186 HB1 ALA 24 1HB ALA 24 -18.740 4.972 0.813 187 HB2 ALA 24 2HB ALA 24 -20.108 4.293 -0.069 188 HB3 ALA 24 3HB ALA 24 -18.839 3.232 0.544 189 H THR 25 H THR 25 -15.796 4.161 -0.765 190 HA THR 25 HA THR 25 -15.335 6.965 -0.215 191 HB THR 25 HB THR 25 -13.185 4.872 -0.463 192 HG1 THR 25 HG1 THR 25 -15.166 4.480 1.052 193 HG21 THR 25 1HG2 THR 25 -12.239 6.997 -0.175 194 HG22 THR 25 2HG2 THR 25 -12.272 6.320 1.454 195 HG23 THR 25 3HG2 THR 25 -13.489 7.498 0.962 196 H ALA 26 H ALA 26 -14.791 4.692 -2.815 197 HA ALA 26 HA ALA 26 -13.082 6.494 -4.295 198 HB1 ALA 26 1HB ALA 26 -12.722 4.767 -5.759 199 HB2 ALA 26 2HB ALA 26 -13.125 3.870 -4.295 200 HB3 ALA 26 3HB ALA 26 -14.343 4.104 -5.548 201 H GLU 27 H GLU 27 -16.454 5.807 -4.039 202 HA GLU 27 HA GLU 27 -17.141 6.963 -6.597 203 HB2 GLU 27 2HB GLU 27 -19.390 6.453 -6.068 204 HB3 GLU 27 3HB GLU 27 -18.438 5.114 -5.443 205 HG2 GLU 27 2HG GLU 27 -18.547 6.113 -3.199 206 HG3 GLU 27 3HG GLU 27 -19.559 7.405 -3.844 207 H LYS 28 H LYS 28 -16.981 7.962 -3.250 208 HA LYS 28 HA LYS 28 -18.394 10.427 -3.645 209 HB2 LYS 28 2HB LYS 28 -17.901 10.901 -1.376 210 HB3 LYS 28 3HB LYS 28 -18.187 9.168 -1.454 211 HG2 LYS 28 2HG LYS 28 -16.295 9.035 -0.270 212 HG3 LYS 28 3HG LYS 28 -15.506 9.264 -1.833 213 HD2 LYS 28 2HD LYS 28 -14.467 10.889 -0.582 214 HD3 LYS 28 3HD LYS 28 -15.814 11.807 -1.259 215 HE2 LYS 28 2HE LYS 28 -17.082 11.174 0.865 216 HE3 LYS 28 3HE LYS 28 -15.518 10.677 1.510 217 HZ1 LYS 28 1HZ LYS 28 -15.959 12.915 2.174 218 HZ2 LYS 28 2HZ LYS 28 -16.274 13.393 0.583 219 HZ3 LYS 28 3HZ LYS 28 -14.707 12.946 1.036 220 H VAL 29 H VAL 29 -15.122 9.353 -3.973 221 HA VAL 29 HA VAL 29 -14.042 12.051 -4.000 222 HB VAL 29 HB VAL 29 -12.691 9.402 -4.534 223 HG11 VAL 29 1HG1 VAL 29 -11.822 12.137 -4.920 224 HG12 VAL 29 2HG1 VAL 29 -10.781 11.270 -3.789 225 HG13 VAL 29 3HG1 VAL 29 -11.051 10.629 -5.410 226 HG21 VAL 29 1HG2 VAL 29 -11.918 9.436 -2.328 227 HG22 VAL 29 2HG2 VAL 29 -12.337 11.135 -2.109 228 HG23 VAL 29 3HG2 VAL 29 -13.610 9.917 -2.195 229 H PHE 30 H PHE 30 -14.633 9.395 -6.261 230 HA PHE 30 HA PHE 30 -13.493 10.639 -8.526 231 HB2 PHE 30 2HB PHE 30 -15.360 8.351 -8.077 232 HB3 PHE 30 3HB PHE 30 -15.200 8.996 -9.707 233 HD1 PHE 30 HD1 PHE 30 -13.973 7.481 -10.932 234 HD2 PHE 30 HD2 PHE 30 -12.683 8.503 -7.007 235 HE1 PHE 30 HE1 PHE 30 -11.931 6.148 -11.260 236 HE2 PHE 30 HE2 PHE 30 -10.639 7.172 -7.327 237 HZ PHE 30 HZ PHE 30 -10.260 5.993 -9.457 238 H LYS 31 H LYS 31 -16.489 11.069 -6.893 239 HA LYS 31 HA LYS 31 -18.039 12.093 -9.024 240 HB2 LYS 31 2HB LYS 31 -19.152 11.393 -7.026 241 HB3 LYS 31 3HB LYS 31 -18.193 12.487 -6.036 242 HG2 LYS 31 2HG LYS 31 -19.834 13.696 -8.183 243 HG3 LYS 31 3HG LYS 31 -20.683 13.034 -6.783 244 HD2 LYS 31 2HD LYS 31 -19.820 14.588 -5.353 245 HD3 LYS 31 3HD LYS 31 -18.322 14.759 -6.270 246 HE2 LYS 31 2HE LYS 31 -19.485 16.793 -6.549 247 HE3 LYS 31 3HE LYS 31 -19.704 15.904 -8.054 248 HZ1 LYS 31 1HZ LYS 31 -21.732 15.528 -5.995 249 HZ2 LYS 31 2HZ LYS 31 -21.900 15.616 -7.676 250 HZ3 LYS 31 3HZ LYS 31 -21.707 17.032 -6.771 251 H GLN 32 H GLN 32 -15.736 13.556 -6.814 252 HA GLN 32 HA GLN 32 -16.303 16.229 -7.796 253 HB2 GLN 32 2HB GLN 32 -15.608 15.508 -5.374 254 HB3 GLN 32 3HB GLN 32 -13.977 15.567 -6.029 255 HG2 GLN 32 2HG GLN 32 -14.242 17.671 -5.128 256 HG3 GLN 32 3HG GLN 32 -14.628 17.930 -6.829 257 HE21 GLN 32 1HE2 GLN 32 -16.458 16.679 -4.057 258 HE22 GLN 32 2HE2 GLN 32 -17.783 17.774 -4.221 259 H TYR 33 H TYR 33 -14.158 13.632 -8.460 260 HA TYR 33 HA TYR 33 -11.892 14.864 -9.426 261 HB2 TYR 33 2HB TYR 33 -13.256 12.306 -9.893 262 HB3 TYR 33 3HB TYR 33 -12.244 12.830 -11.234 263 HD1 TYR 33 HD1 TYR 33 -10.341 11.503 -11.173 264 HD2 TYR 33 HD2 TYR 33 -11.773 13.223 -7.554 265 HE1 TYR 33 HE1 TYR 33 -8.347 10.673 -9.996 266 HE2 TYR 33 HE2 TYR 33 -9.782 12.400 -6.367 267 HH TYR 33 HH TYR 33 -7.288 10.512 -8.055 268 H PHE 34 H PHE 34 -14.721 13.927 -11.391 269 HA PHE 34 HA PHE 34 -13.836 15.454 -13.643 270 HB2 PHE 34 2HB PHE 34 -15.797 14.698 -14.739 271 HB3 PHE 34 3HB PHE 34 -15.294 13.365 -13.704 272 HD1 PHE 34 HD1 PHE 34 -16.604 12.706 -11.797 273 HD2 PHE 34 HD2 PHE 34 -17.786 15.993 -14.231 274 HE1 PHE 34 HE1 PHE 34 -18.836 12.670 -10.760 275 HE2 PHE 34 HE2 PHE 34 -20.017 15.962 -13.196 276 HZ PHE 34 HZ PHE 34 -20.544 14.299 -11.458 277 H ASN 35 H ASN 35 -15.724 16.108 -10.838 278 HA ASN 35 HA ASN 35 -17.401 18.145 -11.646 279 HB2 ASN 35 2HB ASN 35 -17.257 17.128 -9.346 280 HB3 ASN 35 3HB ASN 35 -15.846 18.140 -9.052 281 HD21 ASN 35 1HD2 ASN 35 -19.253 17.984 -9.190 282 HD22 ASN 35 2HD2 ASN 35 -19.575 19.627 -8.762 283 H ASP 36 H ASP 36 -13.953 18.267 -10.933 284 HA ASP 36 HA ASP 36 -13.673 21.076 -11.025 285 HB2 ASP 36 2HB ASP 36 -12.013 19.348 -10.122 286 HB3 ASP 36 3HB ASP 36 -11.517 19.115 -11.797 287 H ASN 37 H ASN 37 -13.698 18.595 -13.495 288 HA ASN 37 HA ASN 37 -12.688 20.240 -15.593 289 HB2 ASN 37 2HB ASN 37 -14.252 17.652 -15.637 290 HB3 ASN 37 3HB ASN 37 -13.597 18.425 -17.077 291 HD21 ASN 37 1HD2 ASN 37 -11.269 18.754 -17.148 292 HD22 ASN 37 2HD2 ASN 37 -10.239 17.603 -16.372 293 H GLY 38 H GLY 38 -15.721 19.974 -14.045 294 HA2 GLY 38 2HA GLY 38 -17.728 21.029 -14.399 295 HA3 GLY 38 3HA GLY 38 -16.850 22.127 -15.453 296 H ILE 39 H ILE 39 -17.067 18.664 -15.968 297 HA ILE 39 HA ILE 39 -17.930 18.983 -18.647 298 HB ILE 39 HB ILE 39 -17.978 16.502 -16.925 299 HG12 ILE 39 2HG1 ILE 39 -15.920 17.321 -18.978 300 HG13 ILE 39 3HG1 ILE 39 -15.744 17.656 -17.258 301 HG21 ILE 39 1HG2 ILE 39 -18.745 17.027 -19.704 302 HG22 ILE 39 2HG2 ILE 39 -17.650 15.662 -19.490 303 HG23 ILE 39 3HG2 ILE 39 -19.191 15.699 -18.633 304 HD11 ILE 39 1HD1 ILE 39 -16.365 14.875 -17.765 305 HD12 ILE 39 2HD1 ILE 39 -14.897 15.399 -18.592 306 HD13 ILE 39 3HD1 ILE 39 -15.043 15.595 -16.846 307 H ASP 40 H ASP 40 -19.879 19.779 -19.117 308 HA ASP 40 HA ASP 40 -22.177 19.194 -17.448 309 HB2 ASP 40 2HB ASP 40 -22.026 20.801 -20.008 310 HB3 ASP 40 3HB ASP 40 -23.371 20.768 -18.871 311 H GLY 41 H GLY 41 -23.596 17.617 -17.804 312 HA2 GLY 41 2HA GLY 41 -24.730 16.798 -20.147 313 HA3 GLY 41 3HA GLY 41 -23.254 15.850 -20.045 314 H GLU 42 H GLU 42 -24.469 13.925 -19.898 315 HA GLU 42 HA GLU 42 -26.153 13.586 -17.536 316 HB2 GLU 42 2HB GLU 42 -27.058 12.734 -19.612 317 HB3 GLU 42 3HB GLU 42 -25.609 11.779 -19.896 318 HG2 GLU 42 2HG GLU 42 -27.472 10.413 -19.107 319 HG3 GLU 42 3HG GLU 42 -26.112 10.384 -17.988 320 H TRP 43 H TRP 43 -24.647 13.548 -15.872 321 HA TRP 43 HA TRP 43 -22.506 11.573 -15.966 322 HB2 TRP 43 2HB TRP 43 -21.834 12.572 -13.783 323 HB3 TRP 43 3HB TRP 43 -21.907 13.746 -15.094 324 HD1 TRP 43 HD1 TRP 43 -23.778 15.635 -14.954 325 HE1 TRP 43 HE1 TRP 43 -25.250 16.474 -13.016 326 HE3 TRP 43 HE3 TRP 43 -23.083 11.774 -11.675 327 HZ2 TRP 43 HZ2 TRP 43 -26.014 15.614 -10.438 328 HZ3 TRP 43 HZ3 TRP 43 -24.220 11.860 -9.494 329 HH2 TRP 43 HH2 TRP 43 -25.654 13.742 -8.891 330 H THR 44 H THR 44 -22.634 9.628 -15.056 331 HA THR 44 HA THR 44 -24.257 9.132 -12.730 332 HB THR 44 HB THR 44 -25.348 7.118 -14.064 333 HG1 THR 44 HG1 THR 44 -25.396 9.094 -16.083 334 HG21 THR 44 1HG2 THR 44 -26.729 9.667 -14.639 335 HG22 THR 44 2HG2 THR 44 -26.296 9.378 -12.954 336 HG23 THR 44 3HG2 THR 44 -27.313 8.223 -13.814 337 H TYR 45 H TYR 45 -23.583 7.358 -11.601 338 HA TYR 45 HA TYR 45 -21.368 5.829 -12.797 339 HB2 TYR 45 2HB TYR 45 -20.736 5.415 -10.352 340 HB3 TYR 45 3HB TYR 45 -20.477 7.039 -10.979 341 HD1 TYR 45 HD1 TYR 45 -21.996 8.878 -10.319 342 HD2 TYR 45 HD2 TYR 45 -22.305 4.999 -8.597 343 HE1 TYR 45 HE1 TYR 45 -23.347 9.807 -8.486 344 HE2 TYR 45 HE2 TYR 45 -23.658 5.917 -6.759 345 HH TYR 45 HH TYR 45 -24.808 9.214 -6.791 346 H ASP 46 H ASP 46 -21.898 3.825 -13.321 347 HA ASP 46 HA ASP 46 -24.246 2.541 -12.311 348 HB2 ASP 46 2HB ASP 46 -22.113 1.881 -14.276 349 HB3 ASP 46 3HB ASP 46 -23.009 0.534 -13.578 350 H ASP 47 H ASP 47 -24.461 1.105 -10.702 351 HA ASP 47 HA ASP 47 -22.152 0.597 -9.016 352 HB2 ASP 47 2HB ASP 47 -24.103 1.264 -7.828 353 HB3 ASP 47 3HB ASP 47 -25.107 0.096 -8.680 354 H ALA 48 H ALA 48 -24.168 -1.075 -11.284 355 HA ALA 48 HA ALA 48 -23.747 -3.727 -10.516 356 HB1 ALA 48 1HB ALA 48 -24.443 -2.376 -13.074 357 HB2 ALA 48 2HB ALA 48 -23.984 -4.078 -13.115 358 HB3 ALA 48 3HB ALA 48 -25.354 -3.559 -12.135 359 H THR 49 H THR 49 -21.733 -1.519 -12.364 360 HA THR 49 HA THR 49 -19.621 -3.575 -12.399 361 HB THR 49 HB THR 49 -20.214 -3.245 -14.673 362 HG1 THR 49 HG1 THR 49 -18.031 -3.228 -14.619 363 HG21 THR 49 1HG2 THR 49 -21.500 -1.157 -14.347 364 HG22 THR 49 2HG2 THR 49 -20.409 -1.071 -15.731 365 HG23 THR 49 3HG2 THR 49 -19.982 -0.268 -14.221 366 H LYS 50 H LYS 50 -20.575 -0.663 -11.125 367 HA LYS 50 HA LYS 50 -19.528 0.934 -9.890 368 HB2 LYS 50 2HB LYS 50 -17.025 -0.738 -10.062 369 HB3 LYS 50 3HB LYS 50 -17.485 0.395 -8.798 370 HG2 LYS 50 2HG LYS 50 -18.822 -2.239 -9.387 371 HG3 LYS 50 3HG LYS 50 -17.726 -1.901 -8.045 372 HD2 LYS 50 2HD LYS 50 -20.356 -0.496 -8.506 373 HD3 LYS 50 3HD LYS 50 -20.125 -1.855 -7.403 374 HE2 LYS 50 2HE LYS 50 -18.472 -0.533 -6.153 375 HE3 LYS 50 3HE LYS 50 -18.750 0.826 -7.241 376 HZ1 LYS 50 1HZ LYS 50 -21.239 0.260 -6.428 377 HZ2 LYS 50 2HZ LYS 50 -20.245 1.421 -5.704 378 HZ3 LYS 50 3HZ LYS 50 -20.357 -0.131 -5.038 379 H THR 51 H THR 51 -19.464 0.987 -12.822 380 HA THR 51 HA THR 51 -16.975 2.482 -13.297 381 HB THR 51 HB THR 51 -18.938 1.337 -15.293 382 HG1 THR 51 HG1 THR 51 -17.292 -0.154 -15.683 383 HG21 THR 51 1HG2 THR 51 -18.087 2.954 -16.616 384 HG22 THR 51 2HG2 THR 51 -16.672 1.904 -16.686 385 HG23 THR 51 3HG2 THR 51 -16.717 3.249 -15.545 386 H PHE 52 H PHE 52 -17.005 4.587 -13.964 387 HA PHE 52 HA PHE 52 -19.606 5.945 -13.799 388 HB2 PHE 52 2HB PHE 52 -17.991 6.730 -12.165 389 HB3 PHE 52 3HB PHE 52 -16.799 7.010 -13.430 390 HD1 PHE 52 HD1 PHE 52 -16.421 9.248 -13.725 391 HD2 PHE 52 HD2 PHE 52 -20.399 7.909 -13.021 392 HE1 PHE 52 HE1 PHE 52 -17.239 11.554 -13.986 393 HE2 PHE 52 HE2 PHE 52 -21.224 10.212 -13.282 394 HZ PHE 52 HZ PHE 52 -19.644 12.038 -13.766 395 H THR 53 H THR 53 -20.489 6.669 -15.607 396 HA THR 53 HA THR 53 -18.728 7.361 -17.866 397 HB THR 53 HB THR 53 -21.466 6.135 -18.196 398 HG1 THR 53 HG1 THR 53 -20.494 4.178 -18.385 399 HG21 THR 53 1HG2 THR 53 -20.469 5.624 -20.483 400 HG22 THR 53 2HG2 THR 53 -19.178 6.748 -20.054 401 HG23 THR 53 3HG2 THR 53 -20.847 7.314 -20.147 402 H ILE 54 H ILE 54 -19.522 8.986 -19.299 403 HA ILE 54 HA ILE 54 -21.753 10.593 -18.258 404 HB ILE 54 HB ILE 54 -19.089 11.708 -19.147 405 HG12 ILE 54 2HG1 ILE 54 -20.413 11.668 -16.425 406 HG13 ILE 54 3HG1 ILE 54 -19.012 10.714 -16.902 407 HG21 ILE 54 1HG2 ILE 54 -20.914 13.144 -19.831 408 HG22 ILE 54 2HG2 ILE 54 -21.593 13.098 -18.205 409 HG23 ILE 54 3HG2 ILE 54 -20.039 13.883 -18.490 410 HD11 ILE 54 1HD1 ILE 54 -19.186 13.690 -16.557 411 HD12 ILE 54 2HD1 ILE 54 -18.208 12.540 -15.645 412 HD13 ILE 54 3HD1 ILE 54 -17.822 12.884 -17.331 413 H THR 55 H THR 55 -22.969 11.672 -19.781 414 HA THR 55 HA THR 55 -22.210 11.305 -22.600 415 HB THR 55 HB THR 55 -25.098 11.130 -21.884 416 HG1 THR 55 HG1 THR 55 -23.464 8.814 -21.844 417 HG21 THR 55 1HG2 THR 55 -25.035 9.519 -23.804 418 HG22 THR 55 2HG2 THR 55 -23.324 9.900 -23.992 419 HG23 THR 55 3HG2 THR 55 -24.538 11.160 -24.212 420 H GLU 56 H GLU 56 -21.720 13.393 -23.067 421 HA GLU 56 HA GLU 56 -23.198 15.620 -22.091 422 HB2 GLU 56 2HB GLU 56 -21.234 15.413 -24.380 423 HB3 GLU 56 3HB GLU 56 -21.863 16.922 -23.733 424 HG2 GLU 56 2HG GLU 56 -20.761 16.610 -21.669 425 HG3 GLU 56 3HG GLU 56 -20.371 14.933 -22.050
Contact the webmaster for help, if required. Tuesday, May 7, 2024 8:10:22 AM GMT (wattos1)