NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560903 | 2lrv | 18283 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 7 H ASN 7 9.743 -20.636 0.491 2 HA ASN 7 HA ASN 7 12.573 -19.816 0.612 3 HB2 ASN 7 1HB ASN 7 13.009 -21.502 -1.156 4 HB3 ASN 7 2HB ASN 7 12.371 -22.222 0.316 5 HD21 ASN 7 2HD2 ASN 7 10.300 -23.071 0.319 6 HD22 ASN 7 1HD2 ASN 7 9.448 -23.400 -1.143 7 H GLY 8 H GLY 8 9.654 -19.788 -1.347 8 HA2 GLY 8 1HA GLY 8 10.951 -17.932 -3.210 9 HA3 GLY 8 2HA GLY 8 9.478 -18.844 -3.530 10 H LEU 9 H LEU 9 10.850 -16.169 -1.767 11 HA LEU 9 HA LEU 9 8.340 -15.321 -0.683 12 HB2 LEU 9 1HB LEU 9 11.057 -14.015 -0.766 13 HB3 LEU 9 2HB LEU 9 9.659 -13.271 -0.022 14 HG LEU 9 HG LEU 9 9.538 -15.263 1.526 15 HD11 LEU 9 1HD1 LEU 9 12.268 -15.844 0.385 16 HD12 LEU 9 2HD1 LEU 9 10.831 -16.854 0.213 17 HD13 LEU 9 3HD1 LEU 9 11.555 -16.616 1.802 18 HD21 LEU 9 3HD2 LEU 9 11.351 -14.465 2.964 19 HD22 LEU 9 1HD2 LEU 9 10.454 -13.130 2.240 20 HD23 LEU 9 2HD2 LEU 9 12.036 -13.578 1.602 21 HA PRO 10 HA PRO 10 6.987 -13.247 -4.414 22 HB2 PRO 10 1HB PRO 10 5.162 -11.961 -2.449 23 HB3 PRO 10 2HB PRO 10 4.779 -12.793 -3.959 24 HG2 PRO 10 1HG PRO 10 4.299 -13.959 -1.619 25 HG3 PRO 10 2HG PRO 10 4.919 -14.897 -2.992 26 HD2 PRO 10 1HD PRO 10 6.369 -13.875 -0.583 27 HD3 PRO 10 2HD PRO 10 6.535 -15.428 -1.435 28 H SER 11 H SER 11 7.128 -11.162 -5.247 29 HA SER 11 HA SER 11 9.140 -9.525 -4.290 30 HB2 SER 11 1HB SER 11 6.868 -8.655 -6.074 31 HB3 SER 11 2HB SER 11 8.503 -7.992 -6.022 32 HG SER 11 HG SER 11 9.281 -9.742 -7.022 33 H GLU 12 H GLU 12 5.623 -9.032 -4.077 34 HA GLU 12 HA GLU 12 5.842 -6.580 -2.662 35 HB2 GLU 12 1HB GLU 12 3.375 -6.959 -2.163 36 HB3 GLU 12 2HB GLU 12 3.834 -6.844 -3.852 37 HG2 GLU 12 1HG GLU 12 3.534 -9.503 -2.496 38 HG3 GLU 12 2HG GLU 12 2.144 -8.642 -3.153 39 H THR 13 H THR 13 6.465 -9.690 -1.614 40 HA THR 13 HA THR 13 5.563 -9.199 1.117 41 HB THR 13 HB THR 13 6.735 -11.672 -0.188 42 HG1 THR 13 HG1 THR 13 4.126 -11.693 0.751 43 HG21 THR 13 3HG2 THR 13 7.197 -11.595 2.223 44 HG22 THR 13 1HG2 THR 13 6.027 -12.855 1.837 45 HG23 THR 13 2HG2 THR 13 5.483 -11.334 2.546 46 H TYR 14 H TYR 14 8.327 -9.252 -0.930 47 HA TYR 14 HA TYR 14 10.190 -9.385 1.314 48 HB2 TYR 14 1HB TYR 14 10.505 -10.904 -0.620 49 HB3 TYR 14 2HB TYR 14 10.688 -9.504 -1.666 50 HD1 TYR 14 HD2 TYR 14 12.166 -11.088 1.358 51 HD2 TYR 14 HD1 TYR 14 12.805 -8.665 -2.073 52 HE1 TYR 14 HE2 TYR 14 14.569 -11.091 1.817 53 HE2 TYR 14 HE1 TYR 14 15.211 -8.658 -1.632 54 HH TYR 14 HH TYR 14 16.681 -10.776 0.579 55 H ILE 15 H ILE 15 8.570 -7.114 -0.490 56 HA ILE 15 HA ILE 15 10.760 -5.179 -0.367 57 HB ILE 15 HB ILE 15 8.293 -5.217 -2.125 58 HG12 ILE 15 1HG1 ILE 15 9.888 -6.740 -2.975 59 HG13 ILE 15 2HG1 ILE 15 10.071 -5.278 -3.937 60 HG21 ILE 15 1HG2 ILE 15 10.474 -3.135 -2.022 61 HG22 ILE 15 2HG2 ILE 15 8.806 -2.917 -1.489 62 HG23 ILE 15 3HG2 ILE 15 9.156 -3.202 -3.194 63 HD11 ILE 15 3HD1 ILE 15 12.003 -4.646 -2.554 64 HD12 ILE 15 1HD1 ILE 15 12.234 -6.196 -3.371 65 HD13 ILE 15 2HD1 ILE 15 11.821 -6.151 -1.655 66 H THR 16 H THR 16 10.368 -3.130 0.419 67 HA THR 16 HA THR 16 8.266 -3.062 2.446 68 HB THR 16 HB THR 16 10.589 -1.152 2.167 69 HG1 THR 16 HG1 THR 16 10.599 -3.820 2.804 70 HG21 THR 16 3HG2 THR 16 8.795 -0.552 3.719 71 HG22 THR 16 1HG2 THR 16 10.282 -0.946 4.589 72 HG23 THR 16 2HG2 THR 16 8.966 -2.122 4.505 73 H CYS 17 H CYS 17 6.942 -1.137 2.650 74 HA CYS 17 HA CYS 17 6.064 -0.182 0.146 75 HB2 CYS 17 1HB CYS 17 4.337 0.841 1.266 76 HB3 CYS 17 2HB CYS 17 4.808 -0.376 2.445 77 H ALA 18 H ALA 18 8.405 1.039 2.402 78 HA ALA 18 HA ALA 18 8.520 3.715 1.488 79 HB1 ALA 18 3HB ALA 18 9.549 3.027 3.597 80 HB2 ALA 18 1HB ALA 18 10.742 3.774 2.535 81 HB3 ALA 18 2HB ALA 18 10.699 2.021 2.717 82 H GLU 19 H GLU 19 10.170 0.756 0.522 83 HA GLU 19 HA GLU 19 11.795 1.986 -1.464 84 HB2 GLU 19 1HB GLU 19 12.311 -0.202 -0.354 85 HB3 GLU 19 2HB GLU 19 10.974 -0.917 -1.243 86 HG2 GLU 19 1HG GLU 19 12.123 -0.255 -3.353 87 HG3 GLU 19 2HG GLU 19 13.503 0.245 -2.379 88 H ALA 20 H ALA 20 8.568 0.679 -1.333 89 HA ALA 20 HA ALA 20 8.150 0.400 -4.097 90 HB1 ALA 20 3HB ALA 20 6.670 -0.634 -2.444 91 HB2 ALA 20 1HB ALA 20 5.757 0.399 -3.545 92 HB3 ALA 20 2HB ALA 20 6.136 0.963 -1.917 93 H ASN 21 H ASN 21 8.054 3.017 -1.886 94 HA ASN 21 HA ASN 21 6.729 4.930 -3.571 95 HB2 ASN 21 1HB ASN 21 6.839 5.205 -1.107 96 HB3 ASN 21 2HB ASN 21 8.584 5.397 -1.216 97 HD21 ASN 21 2HD2 ASN 21 8.568 7.437 -0.340 98 HD22 ASN 21 1HD2 ASN 21 7.939 8.815 -1.172 99 H GLU 22 H GLU 22 10.039 4.174 -2.742 100 HA GLU 22 HA GLU 22 11.404 5.944 -4.363 101 HB2 GLU 22 1HB GLU 22 12.429 4.387 -2.710 102 HB3 GLU 22 2HB GLU 22 12.189 3.073 -3.852 103 HG2 GLU 22 1HG GLU 22 14.476 3.916 -3.871 104 HG3 GLU 22 2HG GLU 22 13.676 4.127 -5.429 105 H MET 23 H MET 23 10.106 2.741 -5.244 106 HA MET 23 HA MET 23 11.018 2.719 -7.899 107 HB2 MET 23 1HB MET 23 8.464 1.475 -6.867 108 HB3 MET 23 2HB MET 23 9.303 1.045 -8.348 109 HG2 MET 23 1HG MET 23 11.261 0.397 -6.889 110 HG3 MET 23 2HG MET 23 10.167 0.560 -5.517 111 HE1 MET 23 3HE MET 23 7.467 -0.418 -7.283 112 HE2 MET 23 1HE MET 23 7.690 -0.793 -5.574 113 HE3 MET 23 2HE MET 23 7.368 -2.087 -6.726 114 H ALA 24 H ALA 24 8.039 3.898 -6.511 115 HA ALA 24 HA ALA 24 6.565 4.706 -8.647 116 HB1 ALA 24 3HB ALA 24 5.552 6.430 -7.274 117 HB2 ALA 24 1HB ALA 24 6.907 6.351 -6.147 118 HB3 ALA 24 2HB ALA 24 5.830 4.966 -6.330 119 H LYS 25 H LYS 25 9.545 6.221 -7.645 120 HA LYS 25 HA LYS 25 9.227 8.635 -9.115 121 HB2 LYS 25 1HB LYS 25 11.608 7.188 -8.008 122 HB3 LYS 25 2HB LYS 25 11.849 8.538 -9.103 123 HG2 LYS 25 1HG LYS 25 12.025 9.321 -6.851 124 HG3 LYS 25 2HG LYS 25 10.542 9.964 -7.554 125 HD2 LYS 25 1HD LYS 25 9.258 8.214 -6.425 126 HD3 LYS 25 2HD LYS 25 10.747 7.582 -5.719 127 HE2 LYS 25 1HE LYS 25 11.098 9.684 -4.545 128 HE3 LYS 25 2HE LYS 25 9.645 10.352 -5.287 129 HZ1 LYS 25 3HZ LYS 25 9.205 9.594 -3.057 130 HZ2 LYS 25 1HZ LYS 25 9.746 8.039 -3.439 131 HZ3 LYS 25 2HZ LYS 25 8.344 8.653 -4.165 132 H THR 26 H THR 26 10.249 5.441 -9.932 133 HA THR 26 HA THR 26 10.977 6.231 -12.651 134 HB THR 26 HB THR 26 11.088 3.491 -11.357 135 HG1 THR 26 HG1 THR 26 12.687 5.684 -11.090 136 HG21 THR 26 3HG2 THR 26 11.075 3.457 -13.815 137 HG22 THR 26 1HG2 THR 26 12.640 2.957 -13.177 138 HG23 THR 26 2HG2 THR 26 12.435 4.579 -13.836 139 H ASP 27 H ASP 27 8.715 4.224 -10.838 140 HA ASP 27 HA ASP 27 6.906 4.227 -13.137 141 HB2 ASP 27 1HB ASP 27 8.041 1.878 -11.737 142 HB3 ASP 27 2HB ASP 27 6.345 1.797 -12.207 143 H SER 28 H SER 28 5.894 5.885 -11.895 144 HA SER 28 HA SER 28 4.812 5.512 -9.333 145 HB2 SER 28 1HB SER 28 5.063 7.725 -10.407 146 HB3 SER 28 2HB SER 28 3.795 7.301 -11.555 147 HG SER 28 HG SER 28 3.412 7.315 -8.743 148 H ALA 29 H ALA 29 3.409 4.976 -12.549 149 HA ALA 29 HA ALA 29 0.824 4.299 -11.657 150 HB1 ALA 29 3HB ALA 29 2.158 3.399 -14.205 151 HB2 ALA 29 1HB ALA 29 1.365 4.956 -13.975 152 HB3 ALA 29 2HB ALA 29 0.428 3.467 -13.880 153 H GLN 30 H GLN 30 3.751 2.409 -11.979 154 HA GLN 30 HA GLN 30 2.521 -0.145 -11.861 155 HB2 GLN 30 1HB GLN 30 4.826 0.187 -12.671 156 HB3 GLN 30 2HB GLN 30 5.313 0.674 -11.053 157 HG2 GLN 30 1HG GLN 30 5.979 -1.609 -11.505 158 HG3 GLN 30 2HG GLN 30 4.785 -1.546 -10.209 159 HE21 GLN 30 2HE2 GLN 30 2.712 -2.337 -10.583 160 HE22 GLN 30 1HE2 GLN 30 2.348 -3.364 -11.925 161 H VAL 31 H VAL 31 3.783 2.056 -9.432 162 HA VAL 31 HA VAL 31 3.422 0.210 -7.262 163 HB VAL 31 HB VAL 31 3.914 3.195 -7.185 164 HG11 VAL 31 1HG1 VAL 31 4.726 2.780 -4.905 165 HG12 VAL 31 2HG1 VAL 31 4.255 1.087 -5.051 166 HG13 VAL 31 3HG1 VAL 31 3.025 2.350 -5.080 167 HG21 VAL 31 3HG2 VAL 31 6.260 2.598 -6.825 168 HG22 VAL 31 1HG2 VAL 31 5.675 2.024 -8.387 169 HG23 VAL 31 2HG2 VAL 31 5.855 0.895 -7.043 170 H ALA 32 H ALA 32 1.646 2.805 -8.748 171 HA ALA 32 HA ALA 32 -0.249 3.154 -6.639 172 HB1 ALA 32 3HB ALA 32 0.207 4.926 -8.265 173 HB2 ALA 32 1HB ALA 32 -1.498 4.477 -8.266 174 HB3 ALA 32 2HB ALA 32 -0.437 3.910 -9.555 175 H GLU 33 H GLU 33 0.042 1.154 -9.466 176 HA GLU 33 HA GLU 33 -2.633 0.233 -9.515 177 HB2 GLU 33 1HB GLU 33 -0.791 0.120 -11.340 178 HB3 GLU 33 2HB GLU 33 -0.298 -1.357 -10.524 179 HG2 GLU 33 1HG GLU 33 -1.720 -1.960 -12.318 180 HG3 GLU 33 2HG GLU 33 -2.620 -2.205 -10.820 181 H ILE 34 H ILE 34 0.360 -0.962 -8.034 182 HA ILE 34 HA ILE 34 -0.672 -3.474 -7.230 183 HB ILE 34 HB ILE 34 1.660 -1.915 -6.085 184 HG12 ILE 34 1HG1 ILE 34 1.993 -2.406 -8.442 185 HG13 ILE 34 2HG1 ILE 34 3.046 -3.429 -7.474 186 HG21 ILE 34 1HG2 ILE 34 2.434 -4.063 -5.187 187 HG22 ILE 34 2HG2 ILE 34 0.950 -4.829 -5.754 188 HG23 ILE 34 3HG2 ILE 34 0.879 -3.587 -4.504 189 HD11 ILE 34 3HD1 ILE 34 0.470 -4.249 -8.800 190 HD12 ILE 34 1HD1 ILE 34 1.452 -5.286 -7.765 191 HD13 ILE 34 2HD1 ILE 34 2.103 -4.693 -9.291 192 H VAL 35 H VAL 35 -0.165 -0.430 -5.495 193 HA VAL 35 HA VAL 35 -1.251 -1.328 -3.060 194 HB VAL 35 HB VAL 35 -1.450 1.014 -2.415 195 HG11 VAL 35 1HG1 VAL 35 0.904 1.663 -2.671 196 HG12 VAL 35 2HG1 VAL 35 1.096 0.413 -3.900 197 HG13 VAL 35 3HG1 VAL 35 0.720 -0.036 -2.237 198 HG21 VAL 35 3HG2 VAL 35 -0.811 2.816 -3.968 199 HG22 VAL 35 1HG2 VAL 35 -2.278 1.976 -4.476 200 HG23 VAL 35 2HG2 VAL 35 -0.744 1.632 -5.275 201 H ALA 36 H ALA 36 -2.763 -0.267 -5.978 202 HA ALA 36 HA ALA 36 -5.319 0.220 -4.753 203 HB1 ALA 36 3HB ALA 36 -6.134 0.541 -7.024 204 HB2 ALA 36 1HB ALA 36 -4.613 -0.075 -7.672 205 HB3 ALA 36 2HB ALA 36 -4.638 1.440 -6.771 206 H VAL 37 H VAL 37 -3.921 -2.304 -6.843 207 HA VAL 37 HA VAL 37 -6.126 -3.932 -7.133 208 HB VAL 37 HB VAL 37 -3.224 -4.770 -6.908 209 HG11 VAL 37 1HG1 VAL 37 -5.582 -6.379 -7.898 210 HG12 VAL 37 2HG1 VAL 37 -4.672 -6.683 -6.420 211 HG13 VAL 37 3HG1 VAL 37 -3.890 -6.868 -7.990 212 HG21 VAL 37 3HG2 VAL 37 -3.731 -3.263 -8.764 213 HG22 VAL 37 1HG2 VAL 37 -5.021 -4.342 -9.295 214 HG23 VAL 37 2HG2 VAL 37 -3.342 -4.880 -9.350 215 H MET 38 H MET 38 -3.554 -4.753 -4.679 216 HA MET 38 HA MET 38 -5.385 -6.411 -3.336 217 HB2 MET 38 1HB MET 38 -2.931 -6.757 -3.324 218 HB3 MET 38 2HB MET 38 -2.762 -5.318 -2.326 219 HG2 MET 38 1HG MET 38 -4.131 -6.384 -0.584 220 HG3 MET 38 2HG MET 38 -4.237 -7.836 -1.574 221 HE1 MET 38 3HE MET 38 -0.391 -6.243 0.398 222 HE2 MET 38 1HE MET 38 -1.991 -5.530 0.592 223 HE3 MET 38 2HE MET 38 -1.156 -5.419 -0.958 224 H GLY 39 H GLY 39 -4.409 -3.078 -2.927 225 HA2 GLY 39 1HA GLY 39 -5.270 -2.654 -0.306 226 HA3 GLY 39 2HA GLY 39 -5.220 -1.424 -1.560 227 H ASN 40 H ASN 40 -7.062 -1.968 -3.277 228 HA ASN 40 HA ASN 40 -9.480 -1.293 -2.044 229 HB2 ASN 40 1HB ASN 40 -10.328 -1.042 -4.158 230 HB3 ASN 40 2HB ASN 40 -8.625 -1.205 -4.585 231 HD21 ASN 40 2HD2 ASN 40 -7.923 -3.026 -5.577 232 HD22 ASN 40 1HD2 ASN 40 -8.978 -4.211 -6.266 233 H ALA 41 H ALA 41 -8.312 -4.455 -3.113 234 HA ALA 41 HA ALA 41 -10.699 -5.859 -2.542 235 HB1 ALA 41 3HB ALA 41 -7.857 -6.878 -2.615 236 HB2 ALA 41 1HB ALA 41 -8.955 -6.780 -3.992 237 HB3 ALA 41 2HB ALA 41 -9.312 -7.874 -2.655 238 H SER 42 H SER 42 -7.756 -5.326 -0.748 239 HA SER 42 HA SER 42 -8.317 -6.800 1.557 240 HB2 SER 42 1HB SER 42 -6.089 -5.857 1.044 241 HB3 SER 42 2HB SER 42 -6.706 -4.241 1.379 242 HG SER 42 HG SER 42 -6.222 -6.374 3.140 243 H VAL 43 H VAL 43 -8.810 -3.279 1.051 244 HA VAL 43 HA VAL 43 -10.070 -2.847 3.506 245 HB VAL 43 HB VAL 43 -10.918 -0.736 2.590 246 HG11 VAL 43 1HG1 VAL 43 -8.626 -0.797 3.338 247 HG12 VAL 43 2HG1 VAL 43 -8.776 0.268 1.941 248 HG13 VAL 43 3HG1 VAL 43 -8.095 -1.347 1.749 249 HG21 VAL 43 3HG2 VAL 43 -10.446 -0.112 0.247 250 HG22 VAL 43 1HG2 VAL 43 -11.599 -1.441 0.381 251 HG23 VAL 43 2HG2 VAL 43 -9.924 -1.769 -0.061 252 H ALA 44 H ALA 44 -11.494 -3.747 0.338 253 HA ALA 44 HA ALA 44 -14.143 -3.556 1.267 254 HB1 ALA 44 3HB ALA 44 -12.990 -5.032 -1.097 255 HB2 ALA 44 1HB ALA 44 -13.532 -3.356 -1.092 256 HB3 ALA 44 2HB ALA 44 -14.696 -4.659 -0.841 257 H SER 45 H SER 45 -11.699 -5.868 1.897 258 HA SER 45 HA SER 45 -13.491 -8.120 2.036 259 HB2 SER 45 1HB SER 45 -10.616 -7.794 2.916 260 HB3 SER 45 2HB SER 45 -11.516 -9.308 2.986 261 HG SER 45 HG SER 45 -10.956 -7.780 0.657 262 H ARG 46 H ARG 46 -12.606 -5.565 4.127 263 HA ARG 46 HA ARG 46 -13.520 -7.142 6.454 264 HB2 ARG 46 1HB ARG 46 -12.118 -4.489 6.609 265 HB3 ARG 46 2HB ARG 46 -12.288 -5.709 7.860 266 HG2 ARG 46 1HG ARG 46 -10.629 -6.009 5.369 267 HG3 ARG 46 2HG ARG 46 -10.010 -5.551 6.953 268 HD2 ARG 46 1HD ARG 46 -10.832 -7.706 7.846 269 HD3 ARG 46 2HD ARG 46 -11.338 -8.154 6.216 270 HE ARG 46 HE ARG 46 -8.676 -7.455 6.028 271 HH11 ARG 46 1HH1 ARG 46 -10.556 -9.871 7.711 272 HH12 ARG 46 2HH1 ARG 46 -9.267 -11.017 7.780 273 HH21 ARG 46 1HH2 ARG 46 -6.945 -8.985 6.120 274 HH22 ARG 46 2HH2 ARG 46 -7.222 -10.518 6.876 275 H ASP 47 H ASP 47 -14.162 -4.431 4.435 276 HA ASP 47 HA ASP 47 -16.285 -3.546 6.240 277 HB2 ASP 47 1HB ASP 47 -14.502 -1.917 5.713 278 HB3 ASP 47 2HB ASP 47 -14.939 -2.039 4.016 279 H LEU 48 H LEU 48 -15.507 -3.976 2.812 280 HA LEU 48 HA LEU 48 -16.690 -4.732 1.043 281 HB2 LEU 48 1HB LEU 48 -17.619 -6.412 2.605 282 HB3 LEU 48 2HB LEU 48 -18.918 -5.307 2.999 283 HG LEU 48 HG LEU 48 -19.688 -5.424 0.642 284 HD11 LEU 48 1HD1 LEU 48 -17.586 -5.995 -0.428 285 HD12 LEU 48 2HD1 LEU 48 -18.818 -7.200 -0.800 286 HD13 LEU 48 3HD1 LEU 48 -17.571 -7.554 0.396 287 HD21 LEU 48 3HD2 LEU 48 -20.690 -6.843 2.348 288 HD22 LEU 48 1HD2 LEU 48 -19.457 -8.072 2.065 289 HD23 LEU 48 2HD2 LEU 48 -20.620 -7.681 0.798 290 H LYS 49 H LYS 49 -17.581 -2.080 2.851 291 HA LYS 49 HA LYS 49 -19.646 -1.260 0.932 292 HB2 LYS 49 1HB LYS 49 -18.816 0.032 3.529 293 HB3 LYS 49 2HB LYS 49 -20.165 0.523 2.519 294 HG2 LYS 49 1HG LYS 49 -21.369 -1.474 3.007 295 HG3 LYS 49 2HG LYS 49 -19.968 -2.190 3.806 296 HD2 LYS 49 1HD LYS 49 -21.367 0.313 4.749 297 HD3 LYS 49 2HD LYS 49 -21.694 -1.301 5.378 298 HE2 LYS 49 1HE LYS 49 -18.956 -0.024 5.408 299 HE3 LYS 49 2HE LYS 49 -20.091 0.072 6.754 300 HZ1 LYS 49 3HZ LYS 49 -19.943 -2.229 7.086 301 HZ2 LYS 49 1HZ LYS 49 -18.357 -1.688 6.855 302 HZ3 LYS 49 2HZ LYS 49 -19.164 -2.489 5.601 303 H ILE 50 H ILE 50 -16.391 -0.943 1.613 304 HA ILE 50 HA ILE 50 -15.970 1.728 0.733 305 HB ILE 50 HB ILE 50 -14.030 -0.593 0.965 306 HG12 ILE 50 1HG1 ILE 50 -14.507 1.789 2.773 307 HG13 ILE 50 2HG1 ILE 50 -15.095 0.160 3.078 308 HG21 ILE 50 1HG2 ILE 50 -13.461 2.351 0.560 309 HG22 ILE 50 2HG2 ILE 50 -13.213 1.079 -0.635 310 HG23 ILE 50 3HG2 ILE 50 -12.255 1.097 0.846 311 HD11 ILE 50 3HD1 ILE 50 -12.817 -0.646 3.258 312 HD12 ILE 50 1HD1 ILE 50 -13.100 0.682 4.381 313 HD13 ILE 50 2HD1 ILE 50 -12.201 0.966 2.890 314 H GLU 51 H GLU 51 -15.707 2.498 -1.235 315 HA GLU 51 HA GLU 51 -16.038 0.645 -3.490 316 HB2 GLU 51 1HB GLU 51 -16.603 3.601 -3.299 317 HB3 GLU 51 2HB GLU 51 -16.796 2.642 -4.757 318 HG2 GLU 51 1HG GLU 51 -18.303 2.267 -2.179 319 HG3 GLU 51 2HG GLU 51 -18.925 3.004 -3.654 320 H GLN 52 H GLN 52 -15.120 1.662 -5.614 321 HA GLN 52 HA GLN 52 -12.272 1.768 -5.301 322 HB2 GLN 52 1HB GLN 52 -13.902 2.248 -7.804 323 HB3 GLN 52 2HB GLN 52 -12.194 1.848 -7.725 324 HG2 GLN 52 1HG GLN 52 -14.431 0.050 -6.836 325 HG3 GLN 52 2HG GLN 52 -13.604 -0.049 -8.388 326 HE21 GLN 52 2HE2 GLN 52 -13.855 -1.955 -6.184 327 HE22 GLN 52 1HE2 GLN 52 -12.233 -2.377 -5.740 328 H SER 53 H SER 53 -12.555 3.777 -3.894 329 HA SER 53 HA SER 53 -12.909 6.246 -5.365 330 HB2 SER 53 1HB SER 53 -12.158 5.799 -2.473 331 HB3 SER 53 2HB SER 53 -12.718 7.312 -3.189 332 HG SER 53 HG SER 53 -14.706 6.223 -3.662 333 HA PRO 54 HA PRO 54 -8.489 6.250 -6.398 334 HB2 PRO 54 1HB PRO 54 -9.200 8.992 -7.288 335 HB3 PRO 54 2HB PRO 54 -8.403 7.691 -8.178 336 HG2 PRO 54 1HG PRO 54 -10.931 8.331 -8.702 337 HG3 PRO 54 2HG PRO 54 -10.402 6.638 -8.698 338 HD2 PRO 54 1HD PRO 54 -11.924 8.154 -6.618 339 HD3 PRO 54 2HD PRO 54 -12.150 6.488 -7.193 340 H GLU 55 H GLU 55 -10.240 8.578 -4.521 341 HA GLU 55 HA GLU 55 -7.970 10.096 -3.663 342 HB2 GLU 55 1HB GLU 55 -10.788 9.898 -2.617 343 HB3 GLU 55 2HB GLU 55 -9.574 10.955 -1.909 344 HG2 GLU 55 1HG GLU 55 -9.394 12.215 -3.923 345 HG3 GLU 55 2HG GLU 55 -10.412 11.068 -4.792 346 H LEU 56 H LEU 56 -9.374 7.116 -2.726 347 HA LEU 56 HA LEU 56 -8.239 7.128 -0.080 348 HB2 LEU 56 1HB LEU 56 -9.900 5.252 -1.670 349 HB3 LEU 56 2HB LEU 56 -8.891 4.551 -0.416 350 HG LEU 56 HG LEU 56 -11.206 4.975 0.336 351 HD11 LEU 56 1HD1 LEU 56 -9.372 4.940 1.947 352 HD12 LEU 56 2HD1 LEU 56 -10.641 6.063 2.435 353 HD13 LEU 56 3HD1 LEU 56 -9.145 6.676 1.731 354 HD21 LEU 56 3HD2 LEU 56 -10.507 7.891 -0.024 355 HD22 LEU 56 1HD2 LEU 56 -11.977 7.260 0.716 356 HD23 LEU 56 2HD2 LEU 56 -11.664 6.988 -0.998 357 H SER 57 H SER 57 -7.515 5.620 -3.200 358 HA SER 57 HA SER 57 -5.310 4.124 -2.264 359 HB2 SER 57 1HB SER 57 -4.682 4.178 -4.776 360 HB3 SER 57 2HB SER 57 -6.197 3.400 -4.316 361 HG SER 57 HG SER 57 -5.775 5.585 -5.871 362 H ALA 58 H ALA 58 -5.466 7.139 -4.085 363 HA ALA 58 HA ALA 58 -2.917 8.028 -4.105 364 HB1 ALA 58 3HB ALA 58 -5.253 9.778 -3.354 365 HB2 ALA 58 1HB ALA 58 -4.815 9.304 -4.995 366 HB3 ALA 58 2HB ALA 58 -3.723 10.315 -4.048 367 H LYS 59 H LYS 59 -4.968 8.009 -1.222 368 HA LYS 59 HA LYS 59 -2.841 9.279 0.312 369 HB2 LYS 59 1HB LYS 59 -5.645 8.517 1.130 370 HB3 LYS 59 2HB LYS 59 -4.471 9.272 2.199 371 HG2 LYS 59 1HG LYS 59 -4.348 11.153 0.492 372 HG3 LYS 59 2HG LYS 59 -5.781 10.436 -0.242 373 HD2 LYS 59 1HD LYS 59 -5.567 11.357 2.627 374 HD3 LYS 59 2HD LYS 59 -6.321 12.269 1.322 375 HE2 LYS 59 1HE LYS 59 -7.957 10.466 1.020 376 HE3 LYS 59 2HE LYS 59 -7.200 9.564 2.332 377 HZ1 LYS 59 3HZ LYS 59 -7.752 11.385 3.837 378 HZ2 LYS 59 1HZ LYS 59 -9.142 10.753 3.116 379 HZ3 LYS 59 2HZ LYS 59 -8.504 12.223 2.583 380 H VAL 60 H VAL 60 -4.359 6.134 -0.039 381 HA VAL 60 HA VAL 60 -3.377 4.929 2.303 382 HB VAL 60 HB VAL 60 -5.110 3.976 0.627 383 HG11 VAL 60 1HG1 VAL 60 -2.631 2.742 -0.557 384 HG12 VAL 60 2HG1 VAL 60 -3.607 3.987 -1.328 385 HG13 VAL 60 3HG1 VAL 60 -4.302 2.396 -1.008 386 HG21 VAL 60 3HG2 VAL 60 -4.653 1.668 1.357 387 HG22 VAL 60 1HG2 VAL 60 -4.483 2.831 2.672 388 HG23 VAL 60 2HG2 VAL 60 -3.049 2.170 1.889 389 H VAL 61 H VAL 61 -1.728 5.844 -0.525 390 HA VAL 61 HA VAL 61 0.567 4.142 0.186 391 HB VAL 61 HB VAL 61 -0.105 4.053 -2.199 392 HG11 VAL 61 1HG1 VAL 61 0.654 6.968 -2.274 393 HG12 VAL 61 2HG1 VAL 61 -0.964 6.300 -2.482 394 HG13 VAL 61 3HG1 VAL 61 0.288 5.966 -3.679 395 HG21 VAL 61 3HG2 VAL 61 2.605 5.314 -1.744 396 HG22 VAL 61 1HG2 VAL 61 2.127 4.407 -3.178 397 HG23 VAL 61 2HG2 VAL 61 2.221 3.600 -1.614 398 H GLU 62 H GLU 62 -0.497 7.404 -0.122 399 HA GLU 62 HA GLU 62 1.931 8.781 0.227 400 HB2 GLU 62 1HB GLU 62 -0.198 9.840 -0.506 401 HB3 GLU 62 2HB GLU 62 -0.824 9.660 1.123 402 HG2 GLU 62 1HG GLU 62 1.732 11.122 0.831 403 HG3 GLU 62 2HG GLU 62 0.284 11.910 0.217 404 H LYS 63 H LYS 63 -0.478 7.756 2.630 405 HA LYS 63 HA LYS 63 1.168 8.627 4.815 406 HB2 LYS 63 1HB LYS 63 -1.288 6.861 4.794 407 HB3 LYS 63 2HB LYS 63 -0.515 7.500 6.237 408 HG2 LYS 63 1HG LYS 63 -1.833 9.112 4.060 409 HG3 LYS 63 2HG LYS 63 -2.474 8.804 5.675 410 HD2 LYS 63 1HD LYS 63 -0.562 9.991 6.651 411 HD3 LYS 63 2HD LYS 63 0.067 10.304 5.033 412 HE2 LYS 63 1HE LYS 63 -2.043 11.522 4.523 413 HE3 LYS 63 2HE LYS 63 -2.514 11.319 6.211 414 HZ1 LYS 63 3HZ LYS 63 -0.498 12.527 6.847 415 HZ2 LYS 63 1HZ LYS 63 -1.508 13.467 5.871 416 HZ3 LYS 63 2HZ LYS 63 -0.122 12.761 5.217 417 H LEU 64 H LEU 64 0.505 5.643 3.181 418 HA LEU 64 HA LEU 64 1.543 3.757 4.895 419 HB2 LEU 64 1HB LEU 64 0.378 3.284 2.799 420 HB3 LEU 64 2HB LEU 64 1.786 3.814 1.895 421 HG LEU 64 HG LEU 64 3.059 1.931 2.872 422 HD11 LEU 64 1HD1 LEU 64 1.712 0.133 3.942 423 HD12 LEU 64 2HD1 LEU 64 0.384 1.285 4.078 424 HD13 LEU 64 3HD1 LEU 64 1.906 1.586 4.919 425 HD21 LEU 64 3HD2 LEU 64 2.004 1.713 0.687 426 HD22 LEU 64 1HD2 LEU 64 0.504 1.185 1.452 427 HD23 LEU 64 2HD2 LEU 64 1.951 0.183 1.563 428 H ASN 65 H ASN 65 3.369 5.361 2.284 429 HA ASN 65 HA ASN 65 5.831 4.189 2.913 430 HB2 ASN 65 1HB ASN 65 6.879 5.682 1.382 431 HB3 ASN 65 2HB ASN 65 5.279 5.349 0.738 432 HD21 ASN 65 2HD2 ASN 65 3.795 7.005 0.588 433 HD22 ASN 65 1HD2 ASN 65 4.218 8.657 0.864 434 H GLN 66 H GLN 66 4.250 6.828 4.319 435 HA GLN 66 HA GLN 66 6.550 7.950 5.603 436 HB2 GLN 66 1HB GLN 66 4.848 9.517 5.405 437 HB3 GLN 66 2HB GLN 66 3.589 8.366 5.778 438 HG2 GLN 66 1HG GLN 66 5.510 9.279 7.892 439 HG3 GLN 66 2HG GLN 66 4.122 10.269 7.443 440 HE21 GLN 66 2HE2 GLN 66 2.524 7.868 6.849 441 HE22 GLN 66 1HE2 GLN 66 2.063 7.197 8.350 442 H VAL 67 H VAL 67 3.976 5.721 6.551 443 HA VAL 67 HA VAL 67 4.820 5.098 9.125 444 HB VAL 67 HB VAL 67 3.602 3.176 7.119 445 HG11 VAL 67 1HG1 VAL 67 4.561 2.035 9.059 446 HG12 VAL 67 2HG1 VAL 67 2.800 1.939 9.062 447 HG13 VAL 67 3HG1 VAL 67 3.622 3.071 10.134 448 HG21 VAL 67 3HG2 VAL 67 1.454 3.787 8.129 449 HG22 VAL 67 1HG2 VAL 67 2.241 5.177 7.383 450 HG23 VAL 67 2HG2 VAL 67 2.271 4.983 9.135 451 H CYS 68 H CYS 68 5.848 3.702 6.044 452 HA CYS 68 HA CYS 68 7.639 1.793 7.201 453 HB2 CYS 68 1HB CYS 68 7.558 2.914 4.402 454 HB3 CYS 68 2HB CYS 68 8.583 1.579 4.912 455 H ALA 69 H ALA 69 7.987 5.094 6.101 456 HA ALA 69 HA ALA 69 10.776 5.307 6.179 457 HB1 ALA 69 3HB ALA 69 9.325 7.061 5.264 458 HB2 ALA 69 1HB ALA 69 10.444 7.711 6.462 459 HB3 ALA 69 2HB ALA 69 8.756 7.438 6.890 460 H LYS 70 H LYS 70 8.447 5.155 8.734 461 HA LYS 70 HA LYS 70 10.450 5.835 10.755 462 HB2 LYS 70 1HB LYS 70 7.501 5.261 11.011 463 HB3 LYS 70 2HB LYS 70 8.558 5.740 12.333 464 HG2 LYS 70 1HG LYS 70 8.922 7.883 11.352 465 HG3 LYS 70 2HG LYS 70 8.075 7.405 9.880 466 HD2 LYS 70 1HD LYS 70 6.011 7.139 11.171 467 HD3 LYS 70 2HD LYS 70 6.864 7.653 12.628 468 HE2 LYS 70 1HE LYS 70 7.308 9.809 11.644 469 HE3 LYS 70 2HE LYS 70 6.577 9.291 10.125 470 HZ1 LYS 70 3HZ LYS 70 5.145 9.524 12.717 471 HZ2 LYS 70 1HZ LYS 70 4.464 9.081 11.231 472 HZ3 LYS 70 2HZ LYS 70 5.070 10.644 11.453 473 H ASP 71 H ASP 71 8.859 3.125 9.338 474 HA ASP 71 HA ASP 71 10.292 1.345 11.152 475 HB2 ASP 71 1HB ASP 71 7.340 1.204 10.540 476 HB3 ASP 71 2HB ASP 71 8.253 -0.205 11.066 477 HA PRO 72 HA PRO 72 11.260 0.251 6.836 478 HB2 PRO 72 1HB PRO 72 13.453 -1.171 8.221 479 HB3 PRO 72 2HB PRO 72 13.533 0.001 6.902 480 HG2 PRO 72 1HG PRO 72 14.290 0.662 9.373 481 HG3 PRO 72 2HG PRO 72 13.435 1.818 8.336 482 HD2 PRO 72 1HD PRO 72 12.376 0.157 10.594 483 HD3 PRO 72 2HD PRO 72 12.044 1.857 10.189 484 H GLN 73 H GLN 73 10.697 -1.724 9.632 485 HA GLN 73 HA GLN 73 10.810 -4.240 8.289 486 HB2 GLN 73 1HB GLN 73 9.436 -3.581 10.893 487 HB3 GLN 73 2HB GLN 73 9.924 -5.175 10.334 488 HG2 GLN 73 1HG GLN 73 11.736 -2.893 11.074 489 HG3 GLN 73 2HG GLN 73 11.476 -4.380 11.984 490 HE21 GLN 73 2HE2 GLN 73 13.873 -3.171 10.788 491 HE22 GLN 73 1HE2 GLN 73 14.572 -4.407 9.800 492 H MET 74 H MET 74 8.654 -1.819 7.915 493 HA MET 74 HA MET 74 6.232 -3.392 7.888 494 HB2 MET 74 1HB MET 74 6.743 -0.580 6.909 495 HB3 MET 74 2HB MET 74 5.166 -1.350 6.953 496 HG2 MET 74 1HG MET 74 6.908 -0.807 9.347 497 HG3 MET 74 2HG MET 74 5.538 0.174 8.837 498 HE1 MET 74 3HE MET 74 2.519 -2.242 9.419 499 HE2 MET 74 1HE MET 74 3.408 -1.966 7.922 500 HE3 MET 74 2HE MET 74 3.012 -0.608 8.975 501 H LEU 75 H LEU 75 6.896 -5.053 6.445 502 HA LEU 75 HA LEU 75 7.652 -4.767 3.755 503 HB2 LEU 75 1HB LEU 75 5.847 -6.892 4.926 504 HB3 LEU 75 2HB LEU 75 6.789 -7.020 3.456 505 HG LEU 75 HG LEU 75 7.944 -6.770 6.233 506 HD11 LEU 75 1HD1 LEU 75 6.829 -8.904 5.924 507 HD12 LEU 75 2HD1 LEU 75 8.579 -9.113 5.955 508 HD13 LEU 75 3HD1 LEU 75 7.712 -9.165 4.420 509 HD21 LEU 75 3HD2 LEU 75 9.259 -7.283 3.565 510 HD22 LEU 75 1HD2 LEU 75 10.064 -7.346 5.133 511 HD23 LEU 75 2HD2 LEU 75 9.407 -5.821 4.540 512 H LEU 76 H LEU 76 6.494 -4.543 1.865 513 HA LEU 76 HA LEU 76 4.330 -2.822 1.829 514 HB2 LEU 76 1HB LEU 76 5.816 -3.173 -0.068 515 HB3 LEU 76 2HB LEU 76 5.182 -4.795 -0.288 516 HG LEU 76 HG LEU 76 2.958 -3.794 -0.819 517 HD11 LEU 76 1HD1 LEU 76 2.845 -1.419 -1.374 518 HD12 LEU 76 2HD1 LEU 76 4.495 -1.204 -0.794 519 HD13 LEU 76 3HD1 LEU 76 3.219 -1.668 0.331 520 HD21 LEU 76 3HD2 LEU 76 5.261 -2.906 -2.551 521 HD22 LEU 76 1HD2 LEU 76 3.580 -3.052 -3.065 522 HD23 LEU 76 2HD2 LEU 76 4.485 -4.489 -2.586 523 H ILE 77 H ILE 77 4.273 -6.339 1.359 524 HA ILE 77 HA ILE 77 1.575 -6.634 0.832 525 HB ILE 77 HB ILE 77 3.366 -8.393 0.595 526 HG12 ILE 77 1HG1 ILE 77 1.827 -10.310 1.278 527 HG13 ILE 77 2HG1 ILE 77 0.737 -9.070 1.892 528 HG21 ILE 77 1HG2 ILE 77 3.816 -9.891 2.472 529 HG22 ILE 77 2HG2 ILE 77 2.897 -8.828 3.536 530 HG23 ILE 77 3HG2 ILE 77 4.384 -8.251 2.785 531 HD11 ILE 77 3HD1 ILE 77 1.707 -9.295 -0.947 532 HD12 ILE 77 1HD1 ILE 77 0.570 -8.097 -0.330 533 HD13 ILE 77 2HD1 ILE 77 0.123 -9.802 -0.357 534 H THR 78 H THR 78 3.206 -6.616 3.994 535 HA THR 78 HA THR 78 0.775 -7.031 5.450 536 HB THR 78 HB THR 78 3.437 -6.096 6.531 537 HG1 THR 78 HG1 THR 78 3.658 -8.493 6.857 538 HG21 THR 78 3HG2 THR 78 1.217 -7.736 7.772 539 HG22 THR 78 1HG2 THR 78 1.518 -6.027 8.091 540 HG23 THR 78 2HG2 THR 78 2.709 -7.237 8.566 541 H ALA 79 H ALA 79 2.912 -4.295 4.787 542 HA ALA 79 HA ALA 79 1.841 -2.411 6.503 543 HB1 ALA 79 3HB ALA 79 3.932 -2.209 5.147 544 HB2 ALA 79 1HB ALA 79 2.932 -0.757 5.194 545 HB3 ALA 79 2HB ALA 79 2.920 -1.791 3.765 546 H ILE 80 H ILE 80 0.746 -3.227 3.221 547 HA ILE 80 HA ILE 80 -1.205 -1.189 3.073 548 HB ILE 80 HB ILE 80 -1.106 -3.860 1.648 549 HG12 ILE 80 1HG1 ILE 80 -0.317 -1.078 0.747 550 HG13 ILE 80 2HG1 ILE 80 0.800 -2.365 1.186 551 HG21 ILE 80 1HG2 ILE 80 -2.825 -1.441 1.075 552 HG22 ILE 80 2HG2 ILE 80 -3.388 -3.003 1.668 553 HG23 ILE 80 3HG2 ILE 80 -2.698 -2.872 0.051 554 HD11 ILE 80 3HD1 ILE 80 -1.134 -2.436 -1.120 555 HD12 ILE 80 1HD1 ILE 80 0.029 -3.691 -0.698 556 HD13 ILE 80 2HD1 ILE 80 0.595 -2.109 -1.232 557 H ASP 81 H ASP 81 -1.366 -4.562 4.156 558 HA ASP 81 HA ASP 81 -4.134 -4.627 4.723 559 HB2 ASP 81 1HB ASP 81 -2.746 -6.668 4.566 560 HB3 ASP 81 2HB ASP 81 -1.876 -6.190 6.018 561 H ASP 82 H ASP 82 -1.315 -3.713 6.605 562 HA ASP 82 HA ASP 82 -2.596 -3.282 9.074 563 HB2 ASP 82 1HB ASP 82 -0.195 -3.480 8.970 564 HB3 ASP 82 2HB ASP 82 -0.080 -2.071 7.921 565 H THR 83 H THR 83 -2.014 -1.108 6.325 566 HA THR 83 HA THR 83 -3.056 1.188 7.614 567 HB THR 83 HB THR 83 -2.776 0.604 4.653 568 HG1 THR 83 HG1 THR 83 -0.757 0.532 5.591 569 HG21 THR 83 3HG2 THR 83 -2.772 3.055 4.405 570 HG22 THR 83 1HG2 THR 83 -3.067 3.231 6.134 571 HG23 THR 83 2HG2 THR 83 -4.289 2.488 5.103 572 H MET 84 H MET 84 -4.401 -1.397 5.656 573 HA MET 84 HA MET 84 -6.971 -0.302 5.291 574 HB2 MET 84 1HB MET 84 -6.397 -2.173 3.926 575 HB3 MET 84 2HB MET 84 -5.946 -3.147 5.312 576 HG2 MET 84 1HG MET 84 -8.760 -2.219 4.931 577 HG3 MET 84 2HG MET 84 -8.146 -3.631 4.073 578 HE1 MET 84 3HE MET 84 -6.138 -4.849 6.322 579 HE2 MET 84 1HE MET 84 -7.213 -5.741 5.242 580 HE3 MET 84 2HE MET 84 -7.255 -6.045 6.977 581 H ARG 85 H ARG 85 -5.420 -1.831 7.946 582 HA ARG 85 HA ARG 85 -7.799 -2.383 9.449 583 HB2 ARG 85 1HB ARG 85 -4.932 -2.088 10.356 584 HB3 ARG 85 2HB ARG 85 -6.251 -2.612 11.391 585 HG2 ARG 85 1HG ARG 85 -6.604 -4.542 9.877 586 HG3 ARG 85 2HG ARG 85 -5.177 -4.037 8.969 587 HD2 ARG 85 1HD ARG 85 -4.659 -5.794 10.599 588 HD3 ARG 85 2HD ARG 85 -3.796 -4.296 10.951 589 HE ARG 85 HE ARG 85 -6.246 -4.391 12.361 590 HH11 ARG 85 1HH1 ARG 85 -3.019 -5.807 12.406 591 HH12 ARG 85 2HH1 ARG 85 -3.023 -6.049 14.116 592 HH21 ARG 85 1HH2 ARG 85 -6.229 -4.706 14.630 593 HH22 ARG 85 2HH2 ARG 85 -4.848 -5.426 15.386 594 H ALA 86 H ALA 86 -5.448 0.233 9.349 595 HA ALA 86 HA ALA 86 -6.501 1.751 11.463 596 HB1 ALA 86 3HB ALA 86 -4.251 2.088 10.580 597 HB2 ALA 86 1HB ALA 86 -5.176 3.589 10.569 598 HB3 ALA 86 2HB ALA 86 -4.929 2.694 9.069 599 H ILE 87 H ILE 87 -6.968 2.132 7.916 600 HA ILE 87 HA ILE 87 -9.071 4.066 8.503 601 HB ILE 87 HB ILE 87 -9.162 4.386 5.996 602 HG12 ILE 87 1HG1 ILE 87 -6.963 3.677 4.832 603 HG13 ILE 87 2HG1 ILE 87 -6.801 2.505 6.130 604 HG21 ILE 87 1HG2 ILE 87 -6.565 4.932 7.414 605 HG22 ILE 87 2HG2 ILE 87 -8.010 5.942 7.424 606 HG23 ILE 87 3HG2 ILE 87 -7.099 5.721 5.930 607 HD11 ILE 87 3HD1 ILE 87 -8.921 1.485 5.463 608 HD12 ILE 87 1HD1 ILE 87 -7.757 1.501 4.138 609 HD13 ILE 87 2HD1 ILE 87 -9.078 2.669 4.165 610 H GLY 88 H GLY 88 -9.057 0.882 8.487 611 HA2 GLY 88 1HA GLY 88 -11.254 0.251 6.764 612 HA3 GLY 88 2HA GLY 88 -10.544 -0.788 7.980 613 H LYS 89 H LYS 89 -11.222 2.000 9.567 614 HA LYS 89 HA LYS 89 -13.984 1.259 10.138 615 HB2 LYS 89 1HB LYS 89 -12.576 0.302 11.904 616 HB3 LYS 89 2HB LYS 89 -11.818 1.865 12.167 617 HG2 LYS 89 1HG LYS 89 -13.960 2.776 12.908 618 HG3 LYS 89 2HG LYS 89 -14.713 1.199 12.659 619 HD2 LYS 89 1HD LYS 89 -13.246 0.216 14.334 620 HD3 LYS 89 2HD LYS 89 -12.427 1.764 14.547 621 HE2 LYS 89 1HE LYS 89 -14.039 1.401 16.330 622 HE3 LYS 89 2HE LYS 89 -14.526 2.761 15.322 623 HZ1 LYS 89 3HZ LYS 89 -16.095 1.318 14.194 624 HZ2 LYS 89 1HZ LYS 89 -16.390 1.322 15.856 625 HZ3 LYS 89 2HZ LYS 89 -15.612 0.006 15.139 626 H LYS 90 H LYS 90 -14.727 3.002 8.959 627 HA LYS 90 HA LYS 90 -13.837 5.643 9.849 628 HB2 LYS 90 1HB LYS 90 -14.899 6.451 7.687 629 HB3 LYS 90 2HB LYS 90 -13.439 5.490 7.532 630 HG2 LYS 90 1HG LYS 90 -14.792 3.529 6.956 631 HG3 LYS 90 2HG LYS 90 -16.258 4.497 7.121 632 HD2 LYS 90 1HD LYS 90 -15.476 5.976 5.329 633 HD3 LYS 90 2HD LYS 90 -14.017 5.000 5.167 634 HE2 LYS 90 1HE LYS 90 -15.346 3.075 4.510 635 HE3 LYS 90 2HE LYS 90 -16.830 3.995 4.745 636 HZ1 LYS 90 3HZ LYS 90 -14.715 4.652 2.759 637 HZ2 LYS 90 1HZ LYS 90 -16.174 5.473 2.969 638 HZ3 LYS 90 2HZ LYS 90 -16.181 3.886 2.403 Start of MODEL 2 1 H ASN 7 H ASN 7 8.790 -20.842 -3.656 2 HA ASN 7 HA ASN 7 11.355 -21.934 -2.686 3 HB2 ASN 7 1HB ASN 7 12.291 -20.938 -4.819 4 HB3 ASN 7 2HB ASN 7 11.186 -22.284 -5.046 5 HD21 ASN 7 2HD2 ASN 7 10.192 -18.967 -4.275 6 HD22 ASN 7 1HD2 ASN 7 9.381 -18.677 -5.763 7 H GLY 8 H GLY 8 9.328 -19.466 -2.222 8 HA2 GLY 8 1HA GLY 8 10.588 -17.776 -0.692 9 HA3 GLY 8 2HA GLY 8 11.288 -17.314 -2.241 10 H LEU 9 H LEU 9 9.694 -15.634 -0.626 11 HA LEU 9 HA LEU 9 7.045 -15.636 -1.687 12 HB2 LEU 9 1HB LEU 9 8.535 -13.827 0.188 13 HB3 LEU 9 2HB LEU 9 6.943 -13.410 -0.408 14 HG LEU 9 HG LEU 9 6.035 -15.475 0.611 15 HD11 LEU 9 1HD1 LEU 9 8.790 -15.792 1.783 16 HD12 LEU 9 2HD1 LEU 9 8.070 -16.825 0.547 17 HD13 LEU 9 3HD1 LEU 9 7.371 -16.770 2.170 18 HD21 LEU 9 3HD2 LEU 9 7.542 -13.666 2.495 19 HD22 LEU 9 1HD2 LEU 9 6.216 -14.736 2.946 20 HD23 LEU 9 2HD2 LEU 9 5.925 -13.394 1.843 21 HA PRO 10 HA PRO 10 7.772 -13.304 -5.390 22 HB2 PRO 10 1HB PRO 10 5.048 -12.246 -4.841 23 HB3 PRO 10 2HB PRO 10 5.675 -13.038 -6.289 24 HG2 PRO 10 1HG PRO 10 4.043 -14.327 -4.624 25 HG3 PRO 10 2HG PRO 10 5.394 -15.163 -5.411 26 HD2 PRO 10 1HD PRO 10 5.139 -14.198 -2.599 27 HD3 PRO 10 2HD PRO 10 5.917 -15.664 -3.233 28 H SER 11 H SER 11 7.843 -11.086 -6.134 29 HA SER 11 HA SER 11 9.008 -9.293 -4.414 30 HB2 SER 11 1HB SER 11 7.446 -8.601 -6.909 31 HB3 SER 11 2HB SER 11 8.704 -7.619 -6.156 32 HG SER 11 HG SER 11 10.101 -8.738 -7.227 33 H GLU 12 H GLU 12 5.587 -9.746 -5.014 34 HA GLU 12 HA GLU 12 4.522 -7.359 -4.044 35 HB2 GLU 12 1HB GLU 12 3.348 -10.104 -3.614 36 HB3 GLU 12 2HB GLU 12 2.478 -8.580 -3.696 37 HG2 GLU 12 1HG GLU 12 2.997 -8.362 -6.037 38 HG3 GLU 12 2HG GLU 12 4.002 -9.810 -5.980 39 H THR 13 H THR 13 5.448 -10.287 -2.327 40 HA THR 13 HA THR 13 4.732 -9.183 0.263 41 HB THR 13 HB THR 13 5.778 -11.502 0.938 42 HG1 THR 13 HG1 THR 13 6.518 -11.736 -1.360 43 HG21 THR 13 3HG2 THR 13 3.409 -10.974 1.155 44 HG22 THR 13 1HG2 THR 13 3.626 -12.595 0.498 45 HG23 THR 13 2HG2 THR 13 3.172 -11.265 -0.571 46 H TYR 14 H TYR 14 7.464 -9.264 -1.732 47 HA TYR 14 HA TYR 14 9.334 -9.276 0.516 48 HB2 TYR 14 1HB TYR 14 9.716 -10.915 -1.256 49 HB3 TYR 14 2HB TYR 14 9.781 -9.628 -2.452 50 HD1 TYR 14 HD1 TYR 14 11.487 -10.971 0.549 51 HD2 TYR 14 HD2 TYR 14 11.789 -8.568 -2.934 52 HE1 TYR 14 HE1 TYR 14 13.904 -10.800 0.887 53 HE2 TYR 14 HE2 TYR 14 14.199 -8.381 -2.618 54 HH TYR 14 HH TYR 14 15.912 -10.336 -0.379 55 H ILE 15 H ILE 15 7.775 -7.103 -1.506 56 HA ILE 15 HA ILE 15 9.974 -5.262 -1.741 57 HB ILE 15 HB ILE 15 8.245 -5.673 -3.578 58 HG12 ILE 15 1HG1 ILE 15 9.838 -3.659 -3.407 59 HG13 ILE 15 2HG1 ILE 15 8.471 -3.526 -4.499 60 HG21 ILE 15 1HG2 ILE 15 6.168 -4.391 -3.509 61 HG22 ILE 15 2HG2 ILE 15 6.512 -3.942 -1.840 62 HG23 ILE 15 3HG2 ILE 15 6.236 -5.633 -2.259 63 HD11 ILE 15 3HD1 ILE 15 8.845 -1.467 -3.265 64 HD12 ILE 15 1HD1 ILE 15 8.649 -2.333 -1.740 65 HD13 ILE 15 2HD1 ILE 15 7.286 -2.176 -2.851 66 H THR 16 H THR 16 10.279 -3.525 -0.530 67 HA THR 16 HA THR 16 8.617 -3.292 1.837 68 HB THR 16 HB THR 16 11.245 -1.922 1.234 69 HG1 THR 16 HG1 THR 16 11.804 -4.037 1.333 70 HG21 THR 16 3HG2 THR 16 9.745 -2.485 3.768 71 HG22 THR 16 1HG2 THR 16 9.922 -0.906 3.003 72 HG23 THR 16 2HG2 THR 16 11.341 -1.726 3.674 73 H CYS 17 H CYS 17 7.316 -1.600 2.254 74 HA CYS 17 HA CYS 17 6.362 0.010 0.205 75 HB2 CYS 17 1HB CYS 17 5.318 1.339 2.125 76 HB3 CYS 17 2HB CYS 17 4.898 -0.362 1.965 77 H ALA 18 H ALA 18 8.567 0.962 2.841 78 HA ALA 18 HA ALA 18 8.855 3.642 2.167 79 HB1 ALA 18 3HB ALA 18 10.943 1.792 3.320 80 HB2 ALA 18 1HB ALA 18 9.740 2.699 4.235 81 HB3 ALA 18 2HB ALA 18 11.004 3.553 3.351 82 H GLU 19 H GLU 19 10.421 0.795 0.808 83 HA GLU 19 HA GLU 19 12.245 2.294 -0.777 84 HB2 GLU 19 1HB GLU 19 12.615 -0.044 0.097 85 HB3 GLU 19 2HB GLU 19 11.509 -0.596 -1.153 86 HG2 GLU 19 1HG GLU 19 12.959 0.200 -2.876 87 HG3 GLU 19 2HG GLU 19 14.015 0.969 -1.694 88 H ALA 20 H ALA 20 8.932 1.427 -1.190 89 HA ALA 20 HA ALA 20 8.767 1.174 -3.959 90 HB1 ALA 20 3HB ALA 20 6.742 2.392 -2.085 91 HB2 ALA 20 1HB ALA 20 6.903 0.675 -2.451 92 HB3 ALA 20 2HB ALA 20 6.423 1.806 -3.718 93 H ASN 21 H ASN 21 9.551 3.849 -2.056 94 HA ASN 21 HA ASN 21 8.702 5.926 -3.882 95 HB2 ASN 21 1HB ASN 21 10.716 6.032 -1.619 96 HB3 ASN 21 2HB ASN 21 10.092 7.428 -2.487 97 HD21 ASN 21 2HD2 ASN 21 9.983 6.600 0.336 98 HD22 ASN 21 1HD2 ASN 21 8.310 6.631 0.768 99 H GLU 22 H GLU 22 11.555 4.076 -3.216 100 HA GLU 22 HA GLU 22 13.446 5.426 -4.787 101 HB2 GLU 22 1HB GLU 22 13.943 3.641 -3.106 102 HB3 GLU 22 2HB GLU 22 13.322 2.454 -4.242 103 HG2 GLU 22 1HG GLU 22 15.691 2.425 -4.373 104 HG3 GLU 22 2HG GLU 22 15.080 3.177 -5.847 105 H MET 23 H MET 23 11.629 2.460 -5.593 106 HA MET 23 HA MET 23 12.359 2.573 -8.313 107 HB2 MET 23 1HB MET 23 10.458 0.854 -8.592 108 HB3 MET 23 2HB MET 23 11.839 0.413 -7.607 109 HG2 MET 23 1HG MET 23 10.053 -0.355 -6.369 110 HG3 MET 23 2HG MET 23 10.391 1.199 -5.620 111 HE1 MET 23 3HE MET 23 7.965 -0.948 -7.697 112 HE2 MET 23 1HE MET 23 8.485 0.186 -8.946 113 HE3 MET 23 2HE MET 23 6.824 0.228 -8.348 114 H ALA 24 H ALA 24 9.561 3.736 -6.610 115 HA ALA 24 HA ALA 24 7.866 4.560 -8.607 116 HB1 ALA 24 3HB ALA 24 7.067 6.345 -7.206 117 HB2 ALA 24 1HB ALA 24 8.564 6.336 -6.274 118 HB3 ALA 24 2HB ALA 24 7.469 4.960 -6.190 119 H LYS 25 H LYS 25 10.987 5.933 -7.912 120 HA LYS 25 HA LYS 25 10.800 8.348 -9.316 121 HB2 LYS 25 1HB LYS 25 13.198 6.545 -8.955 122 HB3 LYS 25 2HB LYS 25 13.267 8.220 -9.482 123 HG2 LYS 25 1HG LYS 25 12.444 8.985 -7.367 124 HG3 LYS 25 2HG LYS 25 12.145 7.329 -6.837 125 HD2 LYS 25 1HD LYS 25 14.575 6.884 -7.020 126 HD3 LYS 25 2HD LYS 25 14.826 8.584 -7.417 127 HE2 LYS 25 1HE LYS 25 13.959 9.258 -5.278 128 HE3 LYS 25 2HE LYS 25 13.519 7.598 -4.886 129 HZ1 LYS 25 3HZ LYS 25 16.267 8.674 -5.220 130 HZ2 LYS 25 1HZ LYS 25 15.899 7.032 -4.993 131 HZ3 LYS 25 2HZ LYS 25 15.541 8.155 -3.782 132 H THR 26 H THR 26 11.018 5.105 -10.448 133 HA THR 26 HA THR 26 11.273 6.089 -13.211 134 HB THR 26 HB THR 26 12.187 3.860 -13.823 135 HG1 THR 26 HG1 THR 26 11.531 2.496 -12.228 136 HG21 THR 26 3HG2 THR 26 13.747 5.291 -11.663 137 HG22 THR 26 1HG2 THR 26 13.726 5.715 -13.376 138 HG23 THR 26 2HG2 THR 26 14.423 4.181 -12.856 139 H ASP 27 H ASP 27 9.633 3.943 -10.984 140 HA ASP 27 HA ASP 27 7.547 3.491 -12.997 141 HB2 ASP 27 1HB ASP 27 8.647 1.398 -11.114 142 HB3 ASP 27 2HB ASP 27 7.305 1.168 -12.232 143 H SER 28 H SER 28 6.652 5.313 -11.740 144 HA SER 28 HA SER 28 5.786 4.846 -9.042 145 HB2 SER 28 1HB SER 28 4.534 6.988 -9.350 146 HB3 SER 28 2HB SER 28 6.258 7.109 -9.707 147 HG SER 28 HG SER 28 4.473 7.958 -11.239 148 H ALA 29 H ALA 29 4.518 4.214 -12.151 149 HA ALA 29 HA ALA 29 1.742 4.226 -11.600 150 HB1 ALA 29 3HB ALA 29 2.618 4.207 -13.885 151 HB2 ALA 29 1HB ALA 29 1.489 2.880 -13.620 152 HB3 ALA 29 2HB ALA 29 3.225 2.569 -13.641 153 H GLN 30 H GLN 30 4.168 1.674 -11.441 154 HA GLN 30 HA GLN 30 2.430 -0.446 -10.836 155 HB2 GLN 30 1HB GLN 30 5.336 -0.112 -10.090 156 HB3 GLN 30 2HB GLN 30 4.440 -1.623 -10.050 157 HG2 GLN 30 1HG GLN 30 4.100 -1.470 -12.475 158 HG3 GLN 30 2HG GLN 30 5.038 0.023 -12.498 159 HE21 GLN 30 2HE2 GLN 30 5.521 -2.520 -13.839 160 HE22 GLN 30 1HE2 GLN 30 7.093 -3.028 -13.333 161 H VAL 31 H VAL 31 3.783 2.065 -8.853 162 HA VAL 31 HA VAL 31 3.464 0.782 -6.339 163 HB VAL 31 HB VAL 31 3.478 3.756 -6.898 164 HG11 VAL 31 1HG1 VAL 31 2.748 3.173 -4.652 165 HG12 VAL 31 2HG1 VAL 31 4.334 3.944 -4.612 166 HG13 VAL 31 3HG1 VAL 31 4.198 2.197 -4.418 167 HG21 VAL 31 3HG2 VAL 31 5.892 3.673 -6.498 168 HG22 VAL 31 1HG2 VAL 31 5.431 2.729 -7.913 169 HG23 VAL 31 2HG2 VAL 31 5.811 1.915 -6.395 170 H ALA 32 H ALA 32 1.525 2.984 -8.281 171 HA ALA 32 HA ALA 32 -0.528 3.315 -6.336 172 HB1 ALA 32 3HB ALA 32 -0.084 4.987 -8.074 173 HB2 ALA 32 1HB ALA 32 -1.756 4.429 -8.116 174 HB3 ALA 32 2HB ALA 32 -0.599 3.834 -9.306 175 H GLU 33 H GLU 33 0.052 1.113 -8.983 176 HA GLU 33 HA GLU 33 -2.587 0.064 -9.054 177 HB2 GLU 33 1HB GLU 33 -0.014 -1.098 -10.097 178 HB3 GLU 33 2HB GLU 33 -1.623 -1.708 -10.461 179 HG2 GLU 33 1HG GLU 33 -2.181 0.447 -11.494 180 HG3 GLU 33 2HG GLU 33 -0.538 1.000 -11.178 181 H ILE 34 H ILE 34 0.392 -0.963 -7.420 182 HA ILE 34 HA ILE 34 -0.655 -3.508 -6.647 183 HB ILE 34 HB ILE 34 1.684 -1.929 -5.539 184 HG12 ILE 34 1HG1 ILE 34 1.603 -4.344 -7.365 185 HG13 ILE 34 2HG1 ILE 34 1.902 -2.691 -7.886 186 HG21 ILE 34 1HG2 ILE 34 0.854 -3.437 -3.824 187 HG22 ILE 34 2HG2 ILE 34 2.390 -4.027 -4.461 188 HG23 ILE 34 3HG2 ILE 34 0.876 -4.782 -4.966 189 HD11 ILE 34 3HD1 ILE 34 3.944 -2.640 -6.556 190 HD12 ILE 34 1HD1 ILE 34 3.964 -3.965 -7.719 191 HD13 ILE 34 2HD1 ILE 34 3.637 -4.291 -6.016 192 H VAL 35 H VAL 35 -0.290 -0.431 -5.079 193 HA VAL 35 HA VAL 35 -1.407 -1.212 -2.583 194 HB VAL 35 HB VAL 35 -1.632 1.131 -2.020 195 HG11 VAL 35 1HG1 VAL 35 0.901 0.595 -3.553 196 HG12 VAL 35 2HG1 VAL 35 0.586 0.178 -1.870 197 HG13 VAL 35 3HG1 VAL 35 0.684 1.869 -2.355 198 HG21 VAL 35 3HG2 VAL 35 -1.003 1.708 -4.912 199 HG22 VAL 35 1HG2 VAL 35 -1.134 2.915 -3.635 200 HG23 VAL 35 2HG2 VAL 35 -2.550 1.979 -4.111 201 H ALA 36 H ALA 36 -2.859 -0.241 -5.577 202 HA ALA 36 HA ALA 36 -5.456 0.216 -4.403 203 HB1 ALA 36 3HB ALA 36 -4.687 0.076 -7.313 204 HB2 ALA 36 1HB ALA 36 -4.710 1.540 -6.330 205 HB3 ALA 36 2HB ALA 36 -6.212 0.675 -6.655 206 H VAL 37 H VAL 37 -4.099 -2.169 -6.698 207 HA VAL 37 HA VAL 37 -6.371 -3.644 -7.150 208 HB VAL 37 HB VAL 37 -3.530 -4.671 -7.040 209 HG11 VAL 37 1HG1 VAL 37 -5.101 -6.532 -6.832 210 HG12 VAL 37 2HG1 VAL 37 -4.331 -6.542 -8.418 211 HG13 VAL 37 3HG1 VAL 37 -5.984 -5.955 -8.245 212 HG21 VAL 37 3HG2 VAL 37 -5.269 -3.758 -9.330 213 HG22 VAL 37 1HG2 VAL 37 -3.653 -4.448 -9.487 214 HG23 VAL 37 2HG2 VAL 37 -3.878 -2.902 -8.669 215 H MET 38 H MET 38 -3.853 -4.872 -4.799 216 HA MET 38 HA MET 38 -5.858 -6.549 -3.707 217 HB2 MET 38 1HB MET 38 -4.107 -7.351 -2.227 218 HB3 MET 38 2HB MET 38 -3.533 -7.291 -3.885 219 HG2 MET 38 1HG MET 38 -2.400 -5.151 -3.361 220 HG3 MET 38 2HG MET 38 -2.896 -5.345 -1.680 221 HE1 MET 38 3HE MET 38 -0.409 -5.279 -0.707 222 HE2 MET 38 1HE MET 38 0.058 -4.858 -2.357 223 HE3 MET 38 2HE MET 38 0.925 -6.125 -1.488 224 H GLY 39 H GLY 39 -4.644 -3.401 -2.990 225 HA2 GLY 39 1HA GLY 39 -5.276 -3.298 -0.244 226 HA3 GLY 39 2HA GLY 39 -5.144 -1.914 -1.319 227 H ASN 40 H ASN 40 -7.087 -2.000 -2.996 228 HA ASN 40 HA ASN 40 -9.371 -1.263 -1.585 229 HB2 ASN 40 1HB ASN 40 -10.224 -0.631 -3.611 230 HB3 ASN 40 2HB ASN 40 -8.571 -0.948 -4.133 231 HD21 ASN 40 2HD2 ASN 40 -8.128 -2.764 -5.339 232 HD22 ASN 40 1HD2 ASN 40 -9.355 -3.677 -6.143 233 H ALA 41 H ALA 41 -8.540 -4.375 -3.008 234 HA ALA 41 HA ALA 41 -11.086 -5.569 -2.614 235 HB1 ALA 41 3HB ALA 41 -8.382 -6.888 -2.868 236 HB2 ALA 41 1HB ALA 41 -9.449 -6.463 -4.206 237 HB3 ALA 41 2HB ALA 41 -9.944 -7.687 -3.035 238 H SER 42 H SER 42 -8.081 -5.721 -0.845 239 HA SER 42 HA SER 42 -8.914 -7.355 1.272 240 HB2 SER 42 1HB SER 42 -6.821 -5.176 1.391 241 HB3 SER 42 2HB SER 42 -7.012 -6.482 2.560 242 HG SER 42 HG SER 42 -6.155 -6.582 -0.118 243 H VAL 43 H VAL 43 -8.873 -3.758 1.185 244 HA VAL 43 HA VAL 43 -9.975 -3.487 3.767 245 HB VAL 43 HB VAL 43 -8.768 -1.675 2.529 246 HG11 VAL 43 1HG1 VAL 43 -9.833 -1.866 0.369 247 HG12 VAL 43 2HG1 VAL 43 -10.015 -0.232 1.007 248 HG13 VAL 43 3HG1 VAL 43 -11.373 -1.355 1.058 249 HG21 VAL 43 3HG2 VAL 43 -9.908 -1.112 4.540 250 HG22 VAL 43 1HG2 VAL 43 -11.461 -1.049 3.705 251 HG23 VAL 43 2HG2 VAL 43 -10.228 0.165 3.363 252 H ALA 44 H ALA 44 -11.491 -3.870 0.620 253 HA ALA 44 HA ALA 44 -14.126 -3.369 1.626 254 HB1 ALA 44 3HB ALA 44 -14.864 -4.100 -0.597 255 HB2 ALA 44 1HB ALA 44 -13.219 -4.615 -0.971 256 HB3 ALA 44 2HB ALA 44 -13.568 -2.909 -0.711 257 H SER 45 H SER 45 -11.984 -5.889 1.928 258 HA SER 45 HA SER 45 -13.977 -8.004 1.752 259 HB2 SER 45 1HB SER 45 -11.695 -8.446 0.892 260 HB3 SER 45 2HB SER 45 -11.054 -8.206 2.514 261 HG SER 45 HG SER 45 -12.996 -9.939 2.764 262 H ARG 46 H ARG 46 -12.628 -5.914 4.088 263 HA ARG 46 HA ARG 46 -13.358 -7.773 6.220 264 HB2 ARG 46 1HB ARG 46 -11.117 -6.760 6.340 265 HB3 ARG 46 2HB ARG 46 -11.847 -5.163 6.399 266 HG2 ARG 46 1HG ARG 46 -11.227 -5.733 8.621 267 HG3 ARG 46 2HG ARG 46 -12.983 -5.860 8.529 268 HD2 ARG 46 1HD ARG 46 -11.029 -8.155 8.366 269 HD3 ARG 46 2HD ARG 46 -12.004 -7.735 9.771 270 HE ARG 46 HE ARG 46 -13.945 -8.143 8.108 271 HH11 ARG 46 1HH1 ARG 46 -10.968 -9.982 8.339 272 HH12 ARG 46 2HH1 ARG 46 -11.632 -11.401 7.608 273 HH21 ARG 46 1HH2 ARG 46 -14.822 -10.031 7.110 274 HH22 ARG 46 2HH2 ARG 46 -13.819 -11.424 6.905 275 H ASP 47 H ASP 47 -14.372 -4.814 4.742 276 HA ASP 47 HA ASP 47 -16.475 -4.653 6.779 277 HB2 ASP 47 1HB ASP 47 -14.577 -2.876 6.683 278 HB3 ASP 47 2HB ASP 47 -15.482 -2.260 5.308 279 H LEU 48 H LEU 48 -15.560 -3.940 3.454 280 HA LEU 48 HA LEU 48 -16.669 -4.097 1.495 281 HB2 LEU 48 1HB LEU 48 -17.712 -6.127 2.526 282 HB3 LEU 48 2HB LEU 48 -19.041 -5.117 3.056 283 HG LEU 48 HG LEU 48 -19.561 -4.611 0.688 284 HD11 LEU 48 1HD1 LEU 48 -17.405 -6.639 0.138 285 HD12 LEU 48 2HD1 LEU 48 -17.373 -4.927 -0.286 286 HD13 LEU 48 3HD1 LEU 48 -18.536 -6.007 -1.054 287 HD21 LEU 48 3HD2 LEU 48 -20.498 -6.806 0.164 288 HD22 LEU 48 1HD2 LEU 48 -20.725 -6.399 1.865 289 HD23 LEU 48 2HD2 LEU 48 -19.466 -7.540 1.392 290 H LYS 49 H LYS 49 -17.375 -2.002 3.884 291 HA LYS 49 HA LYS 49 -19.468 -0.632 2.357 292 HB2 LYS 49 1HB LYS 49 -18.447 0.087 5.104 293 HB3 LYS 49 2HB LYS 49 -19.912 0.673 4.325 294 HG2 LYS 49 1HG LYS 49 -19.371 -2.134 5.273 295 HG3 LYS 49 2HG LYS 49 -20.492 -0.970 5.977 296 HD2 LYS 49 1HD LYS 49 -21.973 -1.130 4.170 297 HD3 LYS 49 2HD LYS 49 -20.754 -1.856 3.119 298 HE2 LYS 49 1HE LYS 49 -20.762 -3.866 4.493 299 HE3 LYS 49 2HE LYS 49 -21.987 -3.152 5.542 300 HZ1 LYS 49 3HZ LYS 49 -22.991 -4.638 3.943 301 HZ2 LYS 49 1HZ LYS 49 -22.324 -3.764 2.656 302 HZ3 LYS 49 2HZ LYS 49 -23.492 -3.057 3.651 303 H ILE 50 H ILE 50 -16.301 -0.789 2.311 304 HA ILE 50 HA ILE 50 -15.629 1.994 2.171 305 HB ILE 50 HB ILE 50 -14.108 -0.558 1.539 306 HG12 ILE 50 1HG1 ILE 50 -12.528 0.532 3.255 307 HG13 ILE 50 2HG1 ILE 50 -13.854 1.632 3.588 308 HG21 ILE 50 1HG2 ILE 50 -13.429 1.025 -0.185 309 HG22 ILE 50 2HG2 ILE 50 -12.125 0.777 0.976 310 HG23 ILE 50 3HG2 ILE 50 -13.100 2.244 1.044 311 HD11 ILE 50 3HD1 ILE 50 -15.263 -0.261 4.214 312 HD12 ILE 50 1HD1 ILE 50 -13.795 -0.184 5.190 313 HD13 ILE 50 2HD1 ILE 50 -13.923 -1.362 3.883 314 H GLU 51 H GLU 51 -14.905 3.031 0.120 315 HA GLU 51 HA GLU 51 -16.602 2.068 -2.069 316 HB2 GLU 51 1HB GLU 51 -17.392 4.183 -1.051 317 HB3 GLU 51 2HB GLU 51 -15.838 4.920 -1.413 318 HG2 GLU 51 1HG GLU 51 -17.555 5.555 -3.026 319 HG3 GLU 51 2HG GLU 51 -16.237 4.666 -3.785 320 H GLN 52 H GLN 52 -15.744 2.014 -4.103 321 HA GLN 52 HA GLN 52 -12.852 2.038 -4.239 322 HB2 GLN 52 1HB GLN 52 -14.936 1.359 -6.313 323 HB3 GLN 52 2HB GLN 52 -13.204 1.247 -6.578 324 HG2 GLN 52 1HG GLN 52 -13.059 -0.411 -4.774 325 HG3 GLN 52 2HG GLN 52 -14.812 -0.326 -4.583 326 HE21 GLN 52 2HE2 GLN 52 -15.056 -2.493 -5.105 327 HE22 GLN 52 1HE2 GLN 52 -14.879 -3.074 -6.721 328 H SER 53 H SER 53 -12.222 4.136 -4.119 329 HA SER 53 HA SER 53 -12.792 5.746 -6.496 330 HB2 SER 53 1HB SER 53 -12.733 6.838 -3.667 331 HB3 SER 53 2HB SER 53 -13.025 7.761 -5.140 332 HG SER 53 HG SER 53 -14.827 6.055 -5.360 333 HA PRO 54 HA PRO 54 -8.389 6.321 -6.708 334 HB2 PRO 54 1HB PRO 54 -8.906 9.206 -7.209 335 HB3 PRO 54 2HB PRO 54 -8.032 8.035 -8.203 336 HG2 PRO 54 1HG PRO 54 -10.456 8.876 -8.912 337 HG3 PRO 54 2HG PRO 54 -9.973 7.187 -9.145 338 HD2 PRO 54 1HD PRO 54 -11.725 8.386 -7.040 339 HD3 PRO 54 2HD PRO 54 -11.899 6.850 -7.913 340 H GLU 55 H GLU 55 -10.357 8.339 -4.726 341 HA GLU 55 HA GLU 55 -8.454 9.811 -3.291 342 HB2 GLU 55 1HB GLU 55 -11.043 8.695 -2.211 343 HB3 GLU 55 2HB GLU 55 -10.178 10.114 -1.637 344 HG2 GLU 55 1HG GLU 55 -10.655 11.273 -3.709 345 HG3 GLU 55 2HG GLU 55 -11.460 9.840 -4.346 346 H LEU 56 H LEU 56 -9.726 6.557 -2.864 347 HA LEU 56 HA LEU 56 -8.488 6.069 -0.364 348 HB2 LEU 56 1HB LEU 56 -9.684 4.255 -2.446 349 HB3 LEU 56 2HB LEU 56 -8.912 3.618 -1.006 350 HG LEU 56 HG LEU 56 -11.293 3.631 -0.682 351 HD11 LEU 56 1HD1 LEU 56 -10.056 5.864 0.910 352 HD12 LEU 56 2HD1 LEU 56 -9.918 4.141 1.258 353 HD13 LEU 56 3HD1 LEU 56 -11.491 4.935 1.346 354 HD21 LEU 56 3HD2 LEU 56 -12.616 5.701 -0.706 355 HD22 LEU 56 1HD2 LEU 56 -11.927 5.340 -2.289 356 HD23 LEU 56 2HD2 LEU 56 -11.203 6.588 -1.277 357 H SER 57 H SER 57 -7.621 5.182 -3.702 358 HA SER 57 HA SER 57 -5.275 3.798 -3.167 359 HB2 SER 57 1HB SER 57 -6.344 3.918 -5.401 360 HB3 SER 57 2HB SER 57 -5.867 5.607 -5.535 361 HG SER 57 HG SER 57 -4.030 3.464 -5.200 362 H ALA 58 H ALA 58 -5.474 7.146 -4.228 363 HA ALA 58 HA ALA 58 -3.003 8.118 -3.741 364 HB1 ALA 58 3HB ALA 58 -5.529 9.595 -3.008 365 HB2 ALA 58 1HB ALA 58 -4.829 9.485 -4.623 366 HB3 ALA 58 2HB ALA 58 -3.956 10.323 -3.341 367 H LYS 59 H LYS 59 -5.443 7.655 -1.200 368 HA LYS 59 HA LYS 59 -3.752 8.772 0.846 369 HB2 LYS 59 1HB LYS 59 -6.144 9.019 1.033 370 HB3 LYS 59 2HB LYS 59 -6.369 7.278 1.016 371 HG2 LYS 59 1HG LYS 59 -5.150 7.124 3.156 372 HG3 LYS 59 2HG LYS 59 -5.006 8.882 3.177 373 HD2 LYS 59 1HD LYS 59 -7.608 7.350 3.135 374 HD3 LYS 59 2HD LYS 59 -6.873 8.059 4.574 375 HE2 LYS 59 1HE LYS 59 -7.041 10.274 3.576 376 HE3 LYS 59 2HE LYS 59 -7.738 9.577 2.115 377 HZ1 LYS 59 3HZ LYS 59 -8.941 9.539 4.824 378 HZ2 LYS 59 1HZ LYS 59 -9.601 8.795 3.455 379 HZ3 LYS 59 2HZ LYS 59 -9.447 10.473 3.505 380 H VAL 60 H VAL 60 -4.764 5.506 -0.080 381 HA VAL 60 HA VAL 60 -3.734 4.146 2.139 382 HB VAL 60 HB VAL 60 -5.345 3.233 0.396 383 HG11 VAL 60 1HG1 VAL 60 -4.402 1.977 -1.469 384 HG12 VAL 60 2HG1 VAL 60 -2.796 2.575 -1.056 385 HG13 VAL 60 3HG1 VAL 60 -4.041 3.700 -1.592 386 HG21 VAL 60 3HG2 VAL 60 -3.050 1.498 1.296 387 HG22 VAL 60 1HG2 VAL 60 -4.608 0.904 0.717 388 HG23 VAL 60 2HG2 VAL 60 -4.522 1.853 2.200 389 H VAL 61 H VAL 61 -2.042 5.515 -0.493 390 HA VAL 61 HA VAL 61 0.329 3.912 0.201 391 HB VAL 61 HB VAL 61 -0.174 3.902 -2.204 392 HG11 VAL 61 1HG1 VAL 61 -1.231 6.075 -2.421 393 HG12 VAL 61 2HG1 VAL 61 0.099 5.912 -3.568 394 HG13 VAL 61 3HG1 VAL 61 0.311 6.873 -2.104 395 HG21 VAL 61 3HG2 VAL 61 2.375 5.382 -1.525 396 HG22 VAL 61 1HG2 VAL 61 2.068 4.519 -3.031 397 HG23 VAL 61 2HG2 VAL 61 2.152 3.635 -1.508 398 H GLU 62 H GLU 62 -0.902 7.169 0.051 399 HA GLU 62 HA GLU 62 1.496 8.569 0.465 400 HB2 GLU 62 1HB GLU 62 -0.685 9.568 -0.246 401 HB3 GLU 62 2HB GLU 62 -1.230 9.426 1.419 402 HG2 GLU 62 1HG GLU 62 0.712 10.839 2.090 403 HG3 GLU 62 2HG GLU 62 1.038 11.094 0.378 404 H LYS 63 H LYS 63 -1.044 7.898 2.892 405 HA LYS 63 HA LYS 63 0.579 8.692 5.078 406 HB2 LYS 63 1HB LYS 63 -1.926 7.010 4.992 407 HB3 LYS 63 2HB LYS 63 -1.156 7.545 6.478 408 HG2 LYS 63 1HG LYS 63 -1.452 9.901 5.647 409 HG3 LYS 63 2HG LYS 63 -2.458 9.231 4.362 410 HD2 LYS 63 1HD LYS 63 -4.017 8.351 5.937 411 HD3 LYS 63 2HD LYS 63 -2.949 8.736 7.289 412 HE2 LYS 63 1HE LYS 63 -3.186 11.144 6.698 413 HE3 LYS 63 2HE LYS 63 -4.381 10.681 5.487 414 HZ1 LYS 63 3HZ LYS 63 -5.381 11.388 7.586 415 HZ2 LYS 63 1HZ LYS 63 -4.608 10.124 8.393 416 HZ3 LYS 63 2HZ LYS 63 -5.775 9.791 7.216 417 H LEU 64 H LEU 64 -0.112 5.663 3.594 418 HA LEU 64 HA LEU 64 0.943 3.821 5.339 419 HB2 LEU 64 1HB LEU 64 -0.179 3.258 3.256 420 HB3 LEU 64 2HB LEU 64 1.163 3.894 2.337 421 HG LEU 64 HG LEU 64 1.701 1.640 4.200 422 HD11 LEU 64 1HD1 LEU 64 0.357 1.365 1.508 423 HD12 LEU 64 2HD1 LEU 64 -0.360 0.966 3.069 424 HD13 LEU 64 3HD1 LEU 64 1.013 0.037 2.467 425 HD21 LEU 64 3HD2 LEU 64 3.514 2.684 2.945 426 HD22 LEU 64 1HD2 LEU 64 2.659 2.370 1.433 427 HD23 LEU 64 2HD2 LEU 64 3.248 1.023 2.408 428 H ASN 65 H ASN 65 2.729 5.530 2.808 429 HA ASN 65 HA ASN 65 5.273 4.532 3.382 430 HB2 ASN 65 1HB ASN 65 4.876 5.611 1.299 431 HB3 ASN 65 2HB ASN 65 4.445 7.130 2.089 432 HD21 ASN 65 2HD2 ASN 65 5.991 8.477 1.391 433 HD22 ASN 65 1HD2 ASN 65 7.689 8.229 1.594 434 H GLN 66 H GLN 66 3.563 7.274 4.674 435 HA GLN 66 HA GLN 66 5.656 8.517 6.032 436 HB2 GLN 66 1HB GLN 66 3.733 9.794 6.008 437 HB3 GLN 66 2HB GLN 66 2.690 8.442 6.374 438 HG2 GLN 66 1HG GLN 66 4.550 9.520 8.457 439 HG3 GLN 66 2HG GLN 66 3.026 10.339 8.112 440 HE21 GLN 66 2HE2 GLN 66 1.693 7.816 7.444 441 HE22 GLN 66 1HE2 GLN 66 1.399 7.002 8.920 442 H VAL 67 H VAL 67 3.486 5.956 7.164 443 HA VAL 67 HA VAL 67 4.734 5.426 9.611 444 HB VAL 67 HB VAL 67 3.402 3.410 7.780 445 HG11 VAL 67 1HG1 VAL 67 3.953 3.273 10.745 446 HG12 VAL 67 2HG1 VAL 67 4.752 2.321 9.494 447 HG13 VAL 67 3HG1 VAL 67 3.034 2.092 9.814 448 HG21 VAL 67 3HG2 VAL 67 2.268 5.082 10.018 449 HG22 VAL 67 1HG2 VAL 67 1.408 3.795 9.173 450 HG23 VAL 67 2HG2 VAL 67 1.909 5.242 8.299 451 H CYS 68 H CYS 68 5.361 3.990 6.419 452 HA CYS 68 HA CYS 68 7.404 2.234 7.205 453 HB2 CYS 68 1HB CYS 68 7.026 3.537 4.510 454 HB3 CYS 68 2HB CYS 68 7.912 2.054 4.845 455 H ALA 69 H ALA 69 7.451 5.616 6.539 456 HA ALA 69 HA ALA 69 10.266 5.886 6.154 457 HB1 ALA 69 3HB ALA 69 8.271 7.949 7.101 458 HB2 ALA 69 1HB ALA 69 8.687 7.616 5.419 459 HB3 ALA 69 2HB ALA 69 9.902 8.277 6.515 460 H LYS 70 H LYS 70 8.218 5.536 8.888 461 HA LYS 70 HA LYS 70 10.330 6.324 10.742 462 HB2 LYS 70 1HB LYS 70 7.464 5.526 11.263 463 HB3 LYS 70 2HB LYS 70 8.591 6.169 12.454 464 HG2 LYS 70 1HG LYS 70 8.672 8.271 11.374 465 HG3 LYS 70 2HG LYS 70 7.807 7.652 9.969 466 HD2 LYS 70 1HD LYS 70 5.837 7.274 11.423 467 HD3 LYS 70 2HD LYS 70 6.718 8.048 12.748 468 HE2 LYS 70 1HE LYS 70 6.933 10.080 11.432 469 HE3 LYS 70 2HE LYS 70 6.100 9.306 10.087 470 HZ1 LYS 70 3HZ LYS 70 4.667 10.764 11.391 471 HZ2 LYS 70 1HZ LYS 70 4.902 9.792 12.754 472 HZ3 LYS 70 2HZ LYS 70 4.112 9.164 11.392 473 H ASP 71 H ASP 71 9.069 3.554 9.253 474 HA ASP 71 HA ASP 71 10.785 1.883 10.891 475 HB2 ASP 71 1HB ASP 71 8.542 1.661 11.938 476 HB3 ASP 71 2HB ASP 71 7.895 1.132 10.387 477 HA PRO 72 HA PRO 72 11.310 0.966 6.536 478 HB2 PRO 72 1HB PRO 72 13.865 0.038 6.763 479 HB3 PRO 72 2HB PRO 72 13.445 1.748 6.623 480 HG2 PRO 72 1HG PRO 72 14.287 0.195 8.993 481 HG3 PRO 72 2HG PRO 72 14.515 1.912 8.632 482 HD2 PRO 72 1HD PRO 72 12.609 0.822 10.366 483 HD3 PRO 72 2HD PRO 72 12.597 2.471 9.722 484 H GLN 73 H GLN 73 11.506 -1.185 9.266 485 HA GLN 73 HA GLN 73 11.897 -3.578 7.809 486 HB2 GLN 73 1HB GLN 73 10.599 -3.139 10.502 487 HB3 GLN 73 2HB GLN 73 10.979 -4.714 9.831 488 HG2 GLN 73 1HG GLN 73 12.732 -4.341 11.270 489 HG3 GLN 73 2HG GLN 73 13.401 -3.816 9.730 490 HE21 GLN 73 2HE2 GLN 73 12.102 -2.784 12.776 491 HE22 GLN 73 1HE2 GLN 73 12.750 -1.189 12.756 492 H MET 74 H MET 74 9.247 -1.491 7.934 493 HA MET 74 HA MET 74 7.147 -3.421 7.834 494 HB2 MET 74 1HB MET 74 6.726 -1.159 8.637 495 HB3 MET 74 2HB MET 74 7.200 -0.493 7.084 496 HG2 MET 74 1HG MET 74 4.810 -0.473 7.254 497 HG3 MET 74 2HG MET 74 5.296 -1.646 6.033 498 HE1 MET 74 3HE MET 74 3.776 -1.072 9.584 499 HE2 MET 74 1HE MET 74 5.274 -1.916 9.985 500 HE3 MET 74 2HE MET 74 3.721 -2.707 10.241 501 H LEU 75 H LEU 75 6.687 -4.680 6.173 502 HA LEU 75 HA LEU 75 7.765 -4.152 3.545 503 HB2 LEU 75 1HB LEU 75 5.943 -6.356 4.519 504 HB3 LEU 75 2HB LEU 75 6.712 -6.298 2.946 505 HG LEU 75 HG LEU 75 8.182 -6.498 5.576 506 HD11 LEU 75 1HD1 LEU 75 7.610 -8.601 3.496 507 HD12 LEU 75 2HD1 LEU 75 6.918 -8.520 5.116 508 HD13 LEU 75 3HD1 LEU 75 8.644 -8.804 4.910 509 HD21 LEU 75 3HD2 LEU 75 9.149 -6.686 2.722 510 HD22 LEU 75 1HD2 LEU 75 10.125 -7.007 4.156 511 HD23 LEU 75 2HD2 LEU 75 9.499 -5.386 3.862 512 H LEU 76 H LEU 76 6.348 -4.164 1.602 513 HA LEU 76 HA LEU 76 4.289 -2.241 1.910 514 HB2 LEU 76 1HB LEU 76 5.629 -2.438 -0.129 515 HB3 LEU 76 2HB LEU 76 4.903 -4.001 -0.458 516 HG LEU 76 HG LEU 76 2.703 -2.924 -0.738 517 HD11 LEU 76 1HD1 LEU 76 2.998 -1.013 0.724 518 HD12 LEU 76 2HD1 LEU 76 2.558 -0.483 -0.899 519 HD13 LEU 76 3HD1 LEU 76 4.229 -0.355 -0.352 520 HD21 LEU 76 3HD2 LEU 76 3.183 -1.797 -2.858 521 HD22 LEU 76 1HD2 LEU 76 4.113 -3.285 -2.689 522 HD23 LEU 76 2HD2 LEU 76 4.893 -1.723 -2.429 523 H ILE 77 H ILE 77 4.265 -5.730 1.498 524 HA ILE 77 HA ILE 77 1.510 -5.994 1.093 525 HB ILE 77 HB ILE 77 3.080 -7.822 0.623 526 HG12 ILE 77 1HG1 ILE 77 1.753 -9.696 1.691 527 HG13 ILE 77 2HG1 ILE 77 0.880 -8.458 2.587 528 HG21 ILE 77 1HG2 ILE 77 3.971 -9.235 2.422 529 HG22 ILE 77 2HG2 ILE 77 3.357 -8.085 3.609 530 HG23 ILE 77 3HG2 ILE 77 4.612 -7.593 2.471 531 HD11 ILE 77 3HD1 ILE 77 0.092 -7.487 0.494 532 HD12 ILE 77 1HD1 ILE 77 -0.345 -9.192 0.605 533 HD13 ILE 77 2HD1 ILE 77 1.004 -8.690 -0.414 534 H THR 78 H THR 78 3.410 -6.150 4.147 535 HA THR 78 HA THR 78 1.168 -6.501 5.799 536 HB THR 78 HB THR 78 2.729 -5.718 7.628 537 HG1 THR 78 HG1 THR 78 4.270 -4.464 6.834 538 HG21 THR 78 3HG2 THR 78 2.566 -8.083 6.950 539 HG22 THR 78 1HG2 THR 78 4.197 -7.656 7.470 540 HG23 THR 78 2HG2 THR 78 3.832 -7.811 5.752 541 H ALA 79 H ALA 79 2.946 -3.653 4.772 542 HA ALA 79 HA ALA 79 1.634 -1.678 6.168 543 HB1 ALA 79 3HB ALA 79 2.562 -1.491 3.309 544 HB2 ALA 79 1HB ALA 79 3.590 -1.309 4.730 545 HB3 ALA 79 2HB ALA 79 2.303 -0.149 4.422 546 H ILE 80 H ILE 80 0.605 -3.192 3.109 547 HA ILE 80 HA ILE 80 -1.718 -1.617 2.751 548 HB ILE 80 HB ILE 80 -1.081 -4.418 1.782 549 HG12 ILE 80 1HG1 ILE 80 0.371 -2.627 0.904 550 HG13 ILE 80 2HG1 ILE 80 -0.627 -3.335 -0.358 551 HG21 ILE 80 1HG2 ILE 80 -3.370 -2.634 0.948 552 HG22 ILE 80 2HG2 ILE 80 -3.502 -4.145 1.850 553 HG23 ILE 80 3HG2 ILE 80 -2.923 -4.158 0.182 554 HD11 ILE 80 3HD1 ILE 80 -2.144 -1.424 -0.228 555 HD12 ILE 80 1HD1 ILE 80 -0.493 -0.932 -0.595 556 HD13 ILE 80 2HD1 ILE 80 -1.132 -0.713 1.031 557 H ASP 81 H ASP 81 -1.100 -4.577 4.518 558 HA ASP 81 HA ASP 81 -3.780 -5.124 5.264 559 HB2 ASP 81 1HB ASP 81 -2.128 -6.864 5.453 560 HB3 ASP 81 2HB ASP 81 -1.131 -5.875 6.514 561 H ASP 82 H ASP 82 -1.226 -3.162 6.643 562 HA ASP 82 HA ASP 82 -2.517 -2.575 9.105 563 HB2 ASP 82 1HB ASP 82 -0.072 -2.337 8.747 564 HB3 ASP 82 2HB ASP 82 -0.384 -0.971 7.680 565 H THR 83 H THR 83 -2.564 -1.076 5.922 566 HA THR 83 HA THR 83 -4.030 1.205 6.860 567 HB THR 83 HB THR 83 -4.356 1.456 4.256 568 HG1 THR 83 HG1 THR 83 -1.967 -0.032 4.205 569 HG21 THR 83 3HG2 THR 83 -2.180 2.573 4.117 570 HG22 THR 83 1HG2 THR 83 -1.656 1.742 5.583 571 HG23 THR 83 2HG2 THR 83 -2.968 2.919 5.655 572 H MET 84 H MET 84 -4.734 -1.834 5.193 573 HA MET 84 HA MET 84 -7.387 -1.582 4.537 574 HB2 MET 84 1HB MET 84 -6.082 -3.609 4.096 575 HB3 MET 84 2HB MET 84 -6.065 -3.989 5.814 576 HG2 MET 84 1HG MET 84 -8.682 -3.863 5.478 577 HG3 MET 84 2HG MET 84 -8.225 -4.231 3.815 578 HE1 MET 84 3HE MET 84 -8.517 -5.405 7.435 579 HE2 MET 84 1HE MET 84 -6.756 -5.391 7.330 580 HE3 MET 84 2HE MET 84 -7.620 -6.924 7.485 581 H ARG 85 H ARG 85 -6.020 -2.174 7.715 582 HA ARG 85 HA ARG 85 -8.642 -2.465 8.918 583 HB2 ARG 85 1HB ARG 85 -7.418 -2.737 11.046 584 HB3 ARG 85 2HB ARG 85 -6.868 -3.850 9.805 585 HG2 ARG 85 1HG ARG 85 -4.907 -2.507 9.409 586 HG3 ARG 85 2HG ARG 85 -5.482 -1.287 10.546 587 HD2 ARG 85 1HD ARG 85 -4.815 -4.142 11.226 588 HD3 ARG 85 2HD ARG 85 -3.781 -2.747 11.528 589 HE ARG 85 HE ARG 85 -6.376 -2.457 12.684 590 HH11 ARG 85 1HH1 ARG 85 -3.211 -3.880 13.161 591 HH12 ARG 85 2HH1 ARG 85 -3.349 -3.948 14.884 592 HH21 ARG 85 1HH2 ARG 85 -6.576 -2.526 14.966 593 HH22 ARG 85 2HH2 ARG 85 -5.282 -3.166 15.919 594 H ALA 86 H ALA 86 -6.151 -0.030 8.604 595 HA ALA 86 HA ALA 86 -7.088 1.815 10.486 596 HB1 ALA 86 3HB ALA 86 -5.701 2.408 7.872 597 HB2 ALA 86 1HB ALA 86 -4.896 1.981 9.383 598 HB3 ALA 86 2HB ALA 86 -5.812 3.484 9.267 599 H ILE 87 H ILE 87 -7.955 1.359 7.065 600 HA ILE 87 HA ILE 87 -9.849 3.535 7.100 601 HB ILE 87 HB ILE 87 -9.614 1.318 5.049 602 HG12 ILE 87 1HG1 ILE 87 -8.194 3.987 5.089 603 HG13 ILE 87 2HG1 ILE 87 -7.435 2.429 5.406 604 HG21 ILE 87 1HG2 ILE 87 -11.652 2.656 4.875 605 HG22 ILE 87 2HG2 ILE 87 -10.577 2.984 3.516 606 HG23 ILE 87 3HG2 ILE 87 -10.691 4.136 4.846 607 HD11 ILE 87 3HD1 ILE 87 -8.741 3.265 2.839 608 HD12 ILE 87 1HD1 ILE 87 -7.976 1.709 3.150 609 HD13 ILE 87 2HD1 ILE 87 -7.002 3.184 3.141 610 H GLY 88 H GLY 88 -9.814 0.480 8.324 611 HA2 GLY 88 1HA GLY 88 -12.562 -0.263 7.816 612 HA3 GLY 88 2HA GLY 88 -11.435 -1.095 8.880 613 H LYS 89 H LYS 89 -12.699 2.193 8.747 614 HA LYS 89 HA LYS 89 -13.087 2.147 11.637 615 HB2 LYS 89 1HB LYS 89 -11.952 4.076 10.661 616 HB3 LYS 89 2HB LYS 89 -13.335 4.385 9.622 617 HG2 LYS 89 1HG LYS 89 -14.708 4.891 11.565 618 HG3 LYS 89 2HG LYS 89 -13.346 4.535 12.629 619 HD2 LYS 89 1HD LYS 89 -12.076 6.365 11.629 620 HD3 LYS 89 2HD LYS 89 -13.414 6.703 10.531 621 HE2 LYS 89 1HE LYS 89 -14.849 7.240 12.423 622 HE3 LYS 89 2HE LYS 89 -13.542 6.854 13.540 623 HZ1 LYS 89 3HZ LYS 89 -12.269 8.669 12.691 624 HZ2 LYS 89 1HZ LYS 89 -13.796 9.245 13.127 625 HZ3 LYS 89 2HZ LYS 89 -13.419 8.994 11.498 626 H LYS 90 H LYS 90 -15.002 2.058 12.617 627 HA LYS 90 HA LYS 90 -17.228 1.898 12.997 628 HB2 LYS 90 1HB LYS 90 -17.366 4.136 12.008 629 HB3 LYS 90 2HB LYS 90 -17.454 3.437 10.401 630 HG2 LYS 90 1HG LYS 90 -19.569 2.233 11.357 631 HG3 LYS 90 2HG LYS 90 -19.525 3.540 12.542 632 HD2 LYS 90 1HD LYS 90 -20.890 4.410 10.871 633 HD3 LYS 90 2HD LYS 90 -19.314 5.089 10.475 634 HE2 LYS 90 1HE LYS 90 -20.591 2.665 9.189 635 HE3 LYS 90 2HE LYS 90 -20.441 4.261 8.464 636 HZ1 LYS 90 3HZ LYS 90 -18.739 2.851 7.594 637 HZ2 LYS 90 1HZ LYS 90 -18.226 2.387 9.141 638 HZ3 LYS 90 2HZ LYS 90 -17.990 3.976 8.600 Start of MODEL 3 1 H ASN 7 H ASN 7 10.063 -20.057 -2.458 2 HA ASN 7 HA ASN 7 8.489 -22.402 -2.200 3 HB2 ASN 7 1HB ASN 7 9.668 -20.523 -0.164 4 HB3 ASN 7 2HB ASN 7 8.725 -21.930 0.291 5 HD21 ASN 7 2HD2 ASN 7 11.451 -21.327 0.871 6 HD22 ASN 7 1HD2 ASN 7 12.400 -22.612 0.218 7 H GLY 8 H GLY 8 7.913 -18.990 -1.598 8 HA2 GLY 8 1HA GLY 8 5.191 -19.043 -2.043 9 HA3 GLY 8 2HA GLY 8 5.372 -19.410 -0.334 10 H LEU 9 H LEU 9 7.450 -17.273 -2.188 11 HA LEU 9 HA LEU 9 6.344 -15.011 -0.688 12 HB2 LEU 9 1HB LEU 9 9.233 -15.547 -1.372 13 HB3 LEU 9 2HB LEU 9 8.635 -14.068 -0.645 14 HG LEU 9 HG LEU 9 8.519 -16.803 0.634 15 HD11 LEU 9 1HD1 LEU 9 10.806 -16.033 0.448 16 HD12 LEU 9 2HD1 LEU 9 10.266 -15.933 2.124 17 HD13 LEU 9 3HD1 LEU 9 10.363 -14.472 1.139 18 HD21 LEU 9 3HD2 LEU 9 7.934 -15.534 2.669 19 HD22 LEU 9 1HD2 LEU 9 6.718 -15.370 1.401 20 HD23 LEU 9 2HD2 LEU 9 7.857 -14.060 1.705 21 HA PRO 10 HA PRO 10 5.920 -13.979 -5.103 22 HB2 PRO 10 1HB PRO 10 3.899 -12.115 -4.054 23 HB3 PRO 10 2HB PRO 10 3.716 -13.397 -5.255 24 HG2 PRO 10 1HG PRO 10 2.659 -13.607 -2.793 25 HG3 PRO 10 2HG PRO 10 3.298 -15.012 -3.664 26 HD2 PRO 10 1HD PRO 10 4.567 -13.397 -1.484 27 HD3 PRO 10 2HD PRO 10 4.532 -15.162 -1.707 28 H SER 11 H SER 11 6.251 -11.952 -6.232 29 HA SER 11 HA SER 11 8.230 -10.303 -5.202 30 HB2 SER 11 1HB SER 11 7.501 -8.747 -7.100 31 HB3 SER 11 2HB SER 11 7.957 -10.390 -7.554 32 HG SER 11 HG SER 11 5.709 -9.177 -8.096 33 H GLU 12 H GLU 12 4.826 -10.207 -4.812 34 HA GLU 12 HA GLU 12 4.417 -7.517 -4.116 35 HB2 GLU 12 1HB GLU 12 2.850 -9.876 -3.090 36 HB3 GLU 12 2HB GLU 12 2.287 -8.228 -3.331 37 HG2 GLU 12 1HG GLU 12 2.428 -8.468 -5.715 38 HG3 GLU 12 2HG GLU 12 3.163 -10.060 -5.550 39 H THR 13 H THR 13 5.487 -10.329 -2.235 40 HA THR 13 HA THR 13 5.362 -8.795 0.244 41 HB THR 13 HB THR 13 6.127 -10.911 1.318 42 HG1 THR 13 HG1 THR 13 7.263 -11.910 -0.312 43 HG21 THR 13 3HG2 THR 13 3.747 -10.542 1.155 44 HG22 THR 13 1HG2 THR 13 4.089 -12.245 0.854 45 HG23 THR 13 2HG2 THR 13 3.728 -11.167 -0.496 46 H TYR 14 H TYR 14 7.469 -9.450 -2.279 47 HA TYR 14 HA TYR 14 9.915 -9.389 -0.766 48 HB2 TYR 14 1HB TYR 14 9.722 -10.772 -2.783 49 HB3 TYR 14 2HB TYR 14 9.381 -9.340 -3.743 50 HD1 TYR 14 HD1 TYR 14 11.993 -10.877 -1.593 51 HD2 TYR 14 HD2 TYR 14 11.118 -8.168 -4.749 52 HE1 TYR 14 HE1 TYR 14 14.390 -10.598 -2.010 53 HE2 TYR 14 HE2 TYR 14 13.506 -7.877 -5.177 54 HH TYR 14 HH TYR 14 15.884 -9.916 -3.765 55 H ILE 15 H ILE 15 7.727 -7.118 -1.999 56 HA ILE 15 HA ILE 15 9.798 -5.090 -2.242 57 HB ILE 15 HB ILE 15 8.241 -5.349 -4.165 58 HG12 ILE 15 1HG1 ILE 15 9.286 -3.092 -3.444 59 HG13 ILE 15 2HG1 ILE 15 8.007 -3.074 -4.646 60 HG21 ILE 15 1HG2 ILE 15 6.091 -4.493 -2.255 61 HG22 ILE 15 2HG2 ILE 15 6.248 -6.060 -3.048 62 HG23 ILE 15 3HG2 ILE 15 5.913 -4.616 -4.005 63 HD11 ILE 15 3HD1 ILE 15 7.700 -2.437 -1.718 64 HD12 ILE 15 1HD1 ILE 15 6.409 -2.413 -2.920 65 HD13 ILE 15 2HD1 ILE 15 7.749 -1.274 -3.044 66 H THR 16 H THR 16 10.051 -3.667 -0.693 67 HA THR 16 HA THR 16 8.349 -3.868 1.642 68 HB THR 16 HB THR 16 10.813 -2.149 1.376 69 HG1 THR 16 HG1 THR 16 12.046 -3.950 1.823 70 HG21 THR 16 3HG2 THR 16 11.011 -2.666 3.769 71 HG22 THR 16 1HG2 THR 16 9.555 -3.655 3.665 72 HG23 THR 16 2HG2 THR 16 9.456 -1.915 3.399 73 H CYS 17 H CYS 17 7.226 -2.169 2.540 74 HA CYS 17 HA CYS 17 5.932 -0.408 0.843 75 HB2 CYS 17 1HB CYS 17 4.914 -1.024 2.891 76 HB3 CYS 17 2HB CYS 17 6.269 -0.414 3.827 77 H ALA 18 H ALA 18 8.651 0.285 3.032 78 HA ALA 18 HA ALA 18 8.841 3.029 2.527 79 HB1 ALA 18 3HB ALA 18 11.123 2.867 3.380 80 HB2 ALA 18 1HB ALA 18 11.077 1.115 3.201 81 HB3 ALA 18 2HB ALA 18 10.019 1.908 4.366 82 H GLU 19 H GLU 19 10.065 0.273 0.749 83 HA GLU 19 HA GLU 19 11.792 1.738 -0.987 84 HB2 GLU 19 1HB GLU 19 10.634 -1.038 -1.230 85 HB3 GLU 19 2HB GLU 19 11.886 -0.377 -2.273 86 HG2 GLU 19 1HG GLU 19 12.134 -0.737 0.701 87 HG3 GLU 19 2HG GLU 19 12.765 -1.850 -0.511 88 H ALA 20 H ALA 20 8.416 1.158 -0.926 89 HA ALA 20 HA ALA 20 7.790 1.133 -3.640 90 HB1 ALA 20 3HB ALA 20 6.159 2.242 -1.360 91 HB2 ALA 20 1HB ALA 20 6.185 0.564 -1.896 92 HB3 ALA 20 2HB ALA 20 5.546 1.818 -2.957 93 H ASN 21 H ASN 21 8.455 3.808 -1.470 94 HA ASN 21 HA ASN 21 7.559 5.864 -3.268 95 HB2 ASN 21 1HB ASN 21 7.844 6.087 -0.728 96 HB3 ASN 21 2HB ASN 21 9.571 6.213 -1.034 97 HD21 ASN 21 2HD2 ASN 21 7.850 8.162 0.174 98 HD22 ASN 21 1HD2 ASN 21 7.927 9.579 -0.815 99 H GLU 22 H GLU 22 10.632 4.470 -2.363 100 HA GLU 22 HA GLU 22 12.330 5.946 -3.972 101 HB2 GLU 22 1HB GLU 22 12.987 4.284 -2.208 102 HB3 GLU 22 2HB GLU 22 12.643 3.007 -3.367 103 HG2 GLU 22 1HG GLU 22 14.359 3.841 -4.843 104 HG3 GLU 22 2HG GLU 22 14.665 5.195 -3.756 105 H MET 23 H MET 23 10.568 2.930 -4.805 106 HA MET 23 HA MET 23 11.503 2.787 -7.454 107 HB2 MET 23 1HB MET 23 10.332 0.939 -6.247 108 HB3 MET 23 2HB MET 23 8.825 1.832 -6.426 109 HG2 MET 23 1HG MET 23 9.460 1.802 -8.967 110 HG3 MET 23 2HG MET 23 10.455 0.429 -8.491 111 HE1 MET 23 3HE MET 23 7.641 -1.914 -6.926 112 HE2 MET 23 1HE MET 23 8.502 -0.648 -6.051 113 HE3 MET 23 2HE MET 23 9.379 -1.710 -7.155 114 H ALA 24 H ALA 24 8.605 4.235 -6.097 115 HA ALA 24 HA ALA 24 7.157 5.003 -8.246 116 HB1 ALA 24 3HB ALA 24 6.194 6.771 -6.920 117 HB2 ALA 24 1HB ALA 24 7.570 6.727 -5.817 118 HB3 ALA 24 2HB ALA 24 6.477 5.347 -5.917 119 H LYS 25 H LYS 25 10.144 6.532 -7.286 120 HA LYS 25 HA LYS 25 9.756 8.888 -8.858 121 HB2 LYS 25 1HB LYS 25 12.064 9.418 -8.446 122 HB3 LYS 25 2HB LYS 25 11.370 8.778 -6.967 123 HG2 LYS 25 1HG LYS 25 12.411 6.613 -7.430 124 HG3 LYS 25 2HG LYS 25 13.128 7.288 -8.896 125 HD2 LYS 25 1HD LYS 25 14.314 8.951 -7.524 126 HD3 LYS 25 2HD LYS 25 13.617 8.222 -6.075 127 HE2 LYS 25 1HE LYS 25 14.755 6.149 -6.503 128 HE3 LYS 25 2HE LYS 25 15.341 6.746 -8.056 129 HZ1 LYS 25 3HZ LYS 25 17.018 6.824 -6.283 130 HZ2 LYS 25 1HZ LYS 25 16.058 7.917 -5.427 131 HZ3 LYS 25 2HZ LYS 25 16.694 8.352 -6.932 132 H THR 26 H THR 26 10.757 5.712 -9.523 133 HA THR 26 HA THR 26 11.594 6.447 -12.225 134 HB THR 26 HB THR 26 11.792 3.757 -10.839 135 HG1 THR 26 HG1 THR 26 13.512 5.994 -10.919 136 HG21 THR 26 3HG2 THR 26 11.864 3.627 -13.276 137 HG22 THR 26 1HG2 THR 26 13.455 3.288 -12.598 138 HG23 THR 26 2HG2 THR 26 13.121 4.862 -13.320 139 H ASP 27 H ASP 27 9.279 4.554 -10.321 140 HA ASP 27 HA ASP 27 7.503 4.576 -12.629 141 HB2 ASP 27 1HB ASP 27 8.886 2.390 -12.086 142 HB3 ASP 27 2HB ASP 27 7.530 2.129 -11.001 143 H SER 28 H SER 28 6.295 6.091 -11.609 144 HA SER 28 HA SER 28 5.227 5.845 -8.982 145 HB2 SER 28 1HB SER 28 4.169 7.468 -11.309 146 HB3 SER 28 2HB SER 28 3.694 7.662 -9.622 147 HG SER 28 HG SER 28 6.342 7.770 -9.719 148 H ALA 29 H ALA 29 4.092 4.845 -12.177 149 HA ALA 29 HA ALA 29 1.447 4.237 -11.474 150 HB1 ALA 29 3HB ALA 29 1.420 2.943 -13.559 151 HB2 ALA 29 1HB ALA 29 3.170 3.119 -13.676 152 HB3 ALA 29 2HB ALA 29 2.133 4.541 -13.776 153 H GLN 30 H GLN 30 4.367 2.194 -11.625 154 HA GLN 30 HA GLN 30 3.240 -0.284 -11.164 155 HB2 GLN 30 1HB GLN 30 5.641 0.281 -11.709 156 HB3 GLN 30 2HB GLN 30 5.858 0.674 -10.012 157 HG2 GLN 30 1HG GLN 30 6.685 -1.499 -10.368 158 HG3 GLN 30 2HG GLN 30 5.180 -1.649 -9.461 159 HE21 GLN 30 2HE2 GLN 30 6.765 -2.210 -12.486 160 HE22 GLN 30 1HE2 GLN 30 5.551 -3.226 -13.177 161 H VAL 31 H VAL 31 4.170 2.191 -8.855 162 HA VAL 31 HA VAL 31 3.673 0.556 -6.557 163 HB VAL 31 HB VAL 31 4.059 3.545 -6.749 164 HG11 VAL 31 1HG1 VAL 31 4.694 3.363 -4.360 165 HG12 VAL 31 2HG1 VAL 31 4.170 1.676 -4.387 166 HG13 VAL 31 3HG1 VAL 31 3.003 2.967 -4.664 167 HG21 VAL 31 3HG2 VAL 31 5.963 2.331 -7.641 168 HG22 VAL 31 1HG2 VAL 31 6.033 1.336 -6.187 169 HG23 VAL 31 2HG2 VAL 31 6.378 3.062 -6.091 170 H ALA 32 H ALA 32 1.841 2.878 -8.406 171 HA ALA 32 HA ALA 32 -0.163 3.244 -6.373 172 HB1 ALA 32 3HB ALA 32 0.399 5.066 -7.912 173 HB2 ALA 32 1HB ALA 32 -1.305 4.623 -8.025 174 HB3 ALA 32 2HB ALA 32 -0.171 4.093 -9.268 175 H GLU 33 H GLU 33 0.241 1.372 -9.310 176 HA GLU 33 HA GLU 33 -2.468 0.481 -9.353 177 HB2 GLU 33 1HB GLU 33 -0.022 -0.444 -10.842 178 HB3 GLU 33 2HB GLU 33 -1.628 -1.115 -11.095 179 HG2 GLU 33 1HG GLU 33 -2.445 1.109 -11.730 180 HG3 GLU 33 2HG GLU 33 -0.822 1.758 -11.506 181 H ILE 34 H ILE 34 0.605 -1.105 -8.433 182 HA ILE 34 HA ILE 34 -0.527 -3.604 -7.810 183 HB ILE 34 HB ILE 34 1.952 -2.287 -6.674 184 HG12 ILE 34 1HG1 ILE 34 1.588 -4.434 -8.780 185 HG13 ILE 34 2HG1 ILE 34 2.014 -2.755 -9.087 186 HG21 ILE 34 1HG2 ILE 34 1.052 -5.155 -6.380 187 HG22 ILE 34 2HG2 ILE 34 1.143 -3.958 -5.091 188 HG23 ILE 34 3HG2 ILE 34 2.618 -4.516 -5.882 189 HD11 ILE 34 3HD1 ILE 34 3.966 -4.189 -9.224 190 HD12 ILE 34 1HD1 ILE 34 3.683 -4.760 -7.579 191 HD13 ILE 34 2HD1 ILE 34 4.113 -3.075 -7.866 192 H VAL 35 H VAL 35 0.122 -0.821 -5.712 193 HA VAL 35 HA VAL 35 -0.837 -1.921 -3.329 194 HB VAL 35 HB VAL 35 -0.572 0.928 -4.278 195 HG11 VAL 35 1HG1 VAL 35 -2.370 0.896 -2.641 196 HG12 VAL 35 2HG1 VAL 35 -0.928 1.671 -1.989 197 HG13 VAL 35 3HG1 VAL 35 -1.335 0.022 -1.506 198 HG21 VAL 35 3HG2 VAL 35 0.986 -0.741 -2.316 199 HG22 VAL 35 1HG2 VAL 35 1.290 0.961 -2.667 200 HG23 VAL 35 2HG2 VAL 35 1.505 -0.251 -3.930 201 H ALA 36 H ALA 36 -2.525 -0.234 -5.917 202 HA ALA 36 HA ALA 36 -4.970 0.051 -4.486 203 HB1 ALA 36 3HB ALA 36 -4.519 0.206 -7.458 204 HB2 ALA 36 1HB ALA 36 -4.343 1.546 -6.326 205 HB3 ALA 36 2HB ALA 36 -5.922 0.805 -6.573 206 H VAL 37 H VAL 37 -3.899 -2.210 -7.035 207 HA VAL 37 HA VAL 37 -6.286 -3.530 -7.456 208 HB VAL 37 HB VAL 37 -3.497 -4.695 -7.571 209 HG11 VAL 37 1HG1 VAL 37 -4.455 -6.453 -8.988 210 HG12 VAL 37 2HG1 VAL 37 -6.070 -5.803 -8.704 211 HG13 VAL 37 3HG1 VAL 37 -5.148 -6.491 -7.367 212 HG21 VAL 37 3HG2 VAL 37 -3.855 -2.819 -9.080 213 HG22 VAL 37 1HG2 VAL 37 -5.312 -3.587 -9.711 214 HG23 VAL 37 2HG2 VAL 37 -3.735 -4.326 -9.987 215 H MET 38 H MET 38 -3.705 -5.020 -5.340 216 HA MET 38 HA MET 38 -5.603 -6.710 -4.153 217 HB2 MET 38 1HB MET 38 -3.286 -7.357 -4.383 218 HB3 MET 38 2HB MET 38 -2.760 -5.989 -3.426 219 HG2 MET 38 1HG MET 38 -4.534 -8.118 -2.275 220 HG3 MET 38 2HG MET 38 -2.788 -8.320 -2.352 221 HE1 MET 38 3HE MET 38 -1.550 -5.336 -0.109 222 HE2 MET 38 1HE MET 38 -1.915 -5.148 -1.825 223 HE3 MET 38 2HE MET 38 -1.091 -6.598 -1.252 224 H GLY 39 H GLY 39 -4.193 -3.625 -3.233 225 HA2 GLY 39 1HA GLY 39 -4.840 -3.582 -0.530 226 HA3 GLY 39 2HA GLY 39 -4.690 -2.160 -1.548 227 H ASN 40 H ASN 40 -6.746 -2.201 -3.198 228 HA ASN 40 HA ASN 40 -8.898 -1.366 -1.641 229 HB2 ASN 40 1HB ASN 40 -9.906 -0.748 -3.603 230 HB3 ASN 40 2HB ASN 40 -8.293 -1.072 -4.236 231 HD21 ASN 40 2HD2 ASN 40 -7.954 -2.837 -5.509 232 HD22 ASN 40 1HD2 ASN 40 -9.239 -3.774 -6.191 233 H ALA 41 H ALA 41 -8.251 -4.528 -3.031 234 HA ALA 41 HA ALA 41 -10.817 -5.613 -2.449 235 HB1 ALA 41 3HB ALA 41 -9.787 -7.780 -2.930 236 HB2 ALA 41 1HB ALA 41 -8.191 -7.031 -2.911 237 HB3 ALA 41 2HB ALA 41 -9.358 -6.588 -4.157 238 H SER 42 H SER 42 -7.678 -5.823 -0.894 239 HA SER 42 HA SER 42 -8.447 -7.409 1.281 240 HB2 SER 42 1HB SER 42 -6.204 -5.403 1.077 241 HB3 SER 42 2HB SER 42 -6.402 -6.537 2.415 242 HG SER 42 HG SER 42 -5.174 -7.003 0.175 243 H VAL 43 H VAL 43 -8.340 -3.820 1.081 244 HA VAL 43 HA VAL 43 -9.252 -3.479 3.727 245 HB VAL 43 HB VAL 43 -9.809 -1.167 3.131 246 HG11 VAL 43 1HG1 VAL 43 -7.216 -2.107 1.922 247 HG12 VAL 43 2HG1 VAL 43 -7.499 -1.643 3.601 248 HG13 VAL 43 3HG1 VAL 43 -7.603 -0.433 2.323 249 HG21 VAL 43 3HG2 VAL 43 -9.247 -2.001 0.289 250 HG22 VAL 43 1HG2 VAL 43 -9.503 -0.344 0.833 251 HG23 VAL 43 2HG2 VAL 43 -10.809 -1.523 0.951 252 H ALA 44 H ALA 44 -10.935 -3.990 0.690 253 HA ALA 44 HA ALA 44 -13.523 -3.458 1.730 254 HB1 ALA 44 3HB ALA 44 -13.081 -3.238 -0.634 255 HB2 ALA 44 1HB ALA 44 -14.283 -4.503 -0.380 256 HB3 ALA 44 2HB ALA 44 -12.611 -4.934 -0.735 257 H SER 45 H SER 45 -11.358 -6.004 2.195 258 HA SER 45 HA SER 45 -13.334 -8.105 2.288 259 HB2 SER 45 1HB SER 45 -10.427 -8.088 3.132 260 HB3 SER 45 2HB SER 45 -11.461 -9.516 3.091 261 HG SER 45 HG SER 45 -11.081 -7.893 0.798 262 H ARG 46 H ARG 46 -12.035 -5.782 4.498 263 HA ARG 46 HA ARG 46 -13.087 -7.357 6.754 264 HB2 ARG 46 1HB ARG 46 -11.280 -4.950 6.892 265 HB3 ARG 46 2HB ARG 46 -11.708 -6.032 8.209 266 HG2 ARG 46 1HG ARG 46 -10.087 -6.774 5.778 267 HG3 ARG 46 2HG ARG 46 -9.448 -6.443 7.387 268 HD2 ARG 46 1HD ARG 46 -10.724 -8.344 8.268 269 HD3 ARG 46 2HD ARG 46 -11.337 -8.676 6.648 270 HE ARG 46 HE ARG 46 -8.492 -8.596 6.698 271 HH11 ARG 46 1HH1 ARG 46 -11.243 -10.651 7.433 272 HH12 ARG 46 2HH1 ARG 46 -10.344 -12.118 7.282 273 HH21 ARG 46 1HH2 ARG 46 -7.307 -10.545 6.480 274 HH22 ARG 46 2HH2 ARG 46 -8.100 -12.060 6.736 275 H ASP 47 H ASP 47 -13.571 -4.443 4.947 276 HA ASP 47 HA ASP 47 -15.471 -3.483 6.940 277 HB2 ASP 47 1HB ASP 47 -13.734 -1.927 6.018 278 HB3 ASP 47 2HB ASP 47 -14.500 -2.093 4.445 279 H LEU 48 H LEU 48 -15.175 -4.683 3.682 280 HA LEU 48 HA LEU 48 -16.628 -5.639 2.255 281 HB2 LEU 48 1HB LEU 48 -18.605 -5.475 4.524 282 HB3 LEU 48 2HB LEU 48 -18.818 -6.403 3.056 283 HG LEU 48 HG LEU 48 -16.687 -6.891 5.142 284 HD11 LEU 48 1HD1 LEU 48 -17.947 -8.924 5.639 285 HD12 LEU 48 2HD1 LEU 48 -19.189 -8.435 4.487 286 HD13 LEU 48 3HD1 LEU 48 -18.909 -7.476 5.941 287 HD21 LEU 48 3HD2 LEU 48 -17.391 -8.424 2.641 288 HD22 LEU 48 1HD2 LEU 48 -16.249 -8.953 3.877 289 HD23 LEU 48 2HD2 LEU 48 -15.911 -7.508 2.925 290 H LYS 49 H LYS 49 -16.875 -2.529 3.130 291 HA LYS 49 HA LYS 49 -18.924 -2.058 1.083 292 HB2 LYS 49 1HB LYS 49 -19.717 -0.087 2.459 293 HB3 LYS 49 2HB LYS 49 -20.128 -1.681 3.075 294 HG2 LYS 49 1HG LYS 49 -18.266 -1.556 4.634 295 HG3 LYS 49 2HG LYS 49 -17.877 0.052 4.028 296 HD2 LYS 49 1HD LYS 49 -20.041 0.869 4.772 297 HD3 LYS 49 2HD LYS 49 -20.467 -0.749 5.338 298 HE2 LYS 49 1HE LYS 49 -19.705 0.593 7.209 299 HE3 LYS 49 2HE LYS 49 -18.551 -0.702 6.859 300 HZ1 LYS 49 3HZ LYS 49 -17.530 1.487 7.301 301 HZ2 LYS 49 1HZ LYS 49 -18.216 2.075 5.872 302 HZ3 LYS 49 2HZ LYS 49 -17.091 0.801 5.823 303 H ILE 50 H ILE 50 -15.855 -1.819 1.504 304 HA ILE 50 HA ILE 50 -15.482 0.976 0.795 305 HB ILE 50 HB ILE 50 -13.466 -1.266 1.126 306 HG12 ILE 50 1HG1 ILE 50 -14.042 1.190 2.797 307 HG13 ILE 50 2HG1 ILE 50 -14.489 -0.458 3.214 308 HG21 ILE 50 1HG2 ILE 50 -11.735 0.468 0.915 309 HG22 ILE 50 2HG2 ILE 50 -12.981 1.654 0.530 310 HG23 ILE 50 3HG2 ILE 50 -12.681 0.306 -0.565 311 HD11 ILE 50 3HD1 ILE 50 -12.522 0.275 4.437 312 HD12 ILE 50 1HD1 ILE 50 -11.681 0.589 2.919 313 HD13 ILE 50 2HD1 ILE 50 -12.129 -1.061 3.355 314 H GLU 51 H GLU 51 -14.956 1.699 -1.221 315 HA GLU 51 HA GLU 51 -15.125 -0.293 -3.365 316 HB2 GLU 51 1HB GLU 51 -16.186 2.530 -3.370 317 HB3 GLU 51 2HB GLU 51 -16.271 1.396 -4.713 318 HG2 GLU 51 1HG GLU 51 -17.675 -0.083 -3.417 319 HG3 GLU 51 2HG GLU 51 -17.547 0.991 -2.026 320 H GLN 52 H GLN 52 -14.341 0.771 -5.504 321 HA GLN 52 HA GLN 52 -11.583 1.422 -4.988 322 HB2 GLN 52 1HB GLN 52 -12.981 1.018 -7.632 323 HB3 GLN 52 2HB GLN 52 -11.245 1.108 -7.379 324 HG2 GLN 52 1HG GLN 52 -11.707 -1.172 -7.613 325 HG3 GLN 52 2HG GLN 52 -11.509 -0.919 -5.879 326 HE21 GLN 52 2HE2 GLN 52 -12.688 -2.730 -5.365 327 HE22 GLN 52 1HE2 GLN 52 -14.412 -2.803 -5.543 328 H SER 53 H SER 53 -11.719 3.504 -4.184 329 HA SER 53 HA SER 53 -12.430 5.551 -6.156 330 HB2 SER 53 1HB SER 53 -11.996 5.807 -3.171 331 HB3 SER 53 2HB SER 53 -12.494 7.107 -4.255 332 HG SER 53 HG SER 53 -14.126 5.059 -4.644 333 HA PRO 54 HA PRO 54 -8.025 5.819 -7.019 334 HB2 PRO 54 1HB PRO 54 -8.947 8.481 -8.007 335 HB3 PRO 54 2HB PRO 54 -7.927 7.279 -8.807 336 HG2 PRO 54 1HG PRO 54 -10.463 7.553 -9.517 337 HG3 PRO 54 2HG PRO 54 -9.734 5.941 -9.389 338 HD2 PRO 54 1HD PRO 54 -11.623 7.320 -7.534 339 HD3 PRO 54 2HD PRO 54 -11.515 5.602 -7.970 340 H GLU 55 H GLU 55 -9.857 8.417 -5.488 341 HA GLU 55 HA GLU 55 -7.618 9.888 -4.534 342 HB2 GLU 55 1HB GLU 55 -9.860 10.876 -4.669 343 HB3 GLU 55 2HB GLU 55 -10.430 9.761 -3.435 344 HG2 GLU 55 1HG GLU 55 -8.896 10.762 -1.820 345 HG3 GLU 55 2HG GLU 55 -8.329 11.880 -3.059 346 H LEU 56 H LEU 56 -9.566 7.291 -3.202 347 HA LEU 56 HA LEU 56 -8.427 7.254 -0.625 348 HB2 LEU 56 1HB LEU 56 -10.547 6.158 -1.122 349 HB3 LEU 56 2HB LEU 56 -9.741 5.055 -2.225 350 HG LEU 56 HG LEU 56 -8.496 4.096 -0.308 351 HD11 LEU 56 1HD1 LEU 56 -9.209 4.608 1.962 352 HD12 LEU 56 2HD1 LEU 56 -10.297 5.851 1.351 353 HD13 LEU 56 3HD1 LEU 56 -8.552 6.037 1.167 354 HD21 LEU 56 3HD2 LEU 56 -10.395 2.884 0.647 355 HD22 LEU 56 1HD2 LEU 56 -10.546 3.046 -1.103 356 HD23 LEU 56 2HD2 LEU 56 -11.499 4.077 -0.036 357 H SER 57 H SER 57 -7.656 5.604 -3.635 358 HA SER 57 HA SER 57 -5.611 3.941 -2.692 359 HB2 SER 57 1HB SER 57 -5.782 5.234 -5.425 360 HB3 SER 57 2HB SER 57 -4.921 3.752 -5.012 361 HG SER 57 HG SER 57 -7.092 3.517 -5.984 362 H ALA 58 H ALA 58 -5.277 7.017 -4.422 363 HA ALA 58 HA ALA 58 -2.633 7.567 -4.026 364 HB1 ALA 58 3HB ALA 58 -4.861 9.594 -3.885 365 HB2 ALA 58 1HB ALA 58 -4.110 8.980 -5.358 366 HB3 ALA 58 2HB ALA 58 -3.164 9.942 -4.220 367 H LYS 59 H LYS 59 -5.211 8.049 -1.654 368 HA LYS 59 HA LYS 59 -3.514 9.340 0.261 369 HB2 LYS 59 1HB LYS 59 -5.901 9.781 0.245 370 HB3 LYS 59 2HB LYS 59 -6.245 8.083 0.538 371 HG2 LYS 59 1HG LYS 59 -5.266 8.229 2.745 372 HG3 LYS 59 2HG LYS 59 -4.796 9.904 2.450 373 HD2 LYS 59 1HD LYS 59 -6.822 9.789 3.804 374 HD3 LYS 59 2HD LYS 59 -7.154 10.530 2.239 375 HE2 LYS 59 1HE LYS 59 -8.089 8.435 1.427 376 HE3 LYS 59 2HE LYS 59 -7.690 7.644 2.952 377 HZ1 LYS 59 3HZ LYS 59 -9.226 9.093 4.085 378 HZ2 LYS 59 1HZ LYS 59 -10.030 8.317 2.815 379 HZ3 LYS 59 2HZ LYS 59 -9.561 9.929 2.659 380 H VAL 60 H VAL 60 -4.884 6.093 -0.020 381 HA VAL 60 HA VAL 60 -3.867 5.019 2.346 382 HB VAL 60 HB VAL 60 -5.616 3.982 0.777 383 HG11 VAL 60 1HG1 VAL 60 -3.173 2.722 -0.448 384 HG12 VAL 60 2HG1 VAL 60 -4.220 3.903 -1.230 385 HG13 VAL 60 3HG1 VAL 60 -4.854 2.313 -0.798 386 HG21 VAL 60 3HG2 VAL 60 -4.927 2.926 2.848 387 HG22 VAL 60 1HG2 VAL 60 -3.524 2.220 2.045 388 HG23 VAL 60 2HG2 VAL 60 -5.150 1.710 1.591 389 H VAL 61 H VAL 61 -2.144 5.803 -0.481 390 HA VAL 61 HA VAL 61 0.088 4.057 0.329 391 HB VAL 61 HB VAL 61 -0.544 3.884 -2.058 392 HG11 VAL 61 1HG1 VAL 61 -1.312 6.144 -2.459 393 HG12 VAL 61 2HG1 VAL 61 -0.056 5.704 -3.618 394 HG13 VAL 61 3HG1 VAL 61 0.329 6.759 -2.256 395 HG21 VAL 61 3HG2 VAL 61 2.198 5.067 -1.606 396 HG22 VAL 61 1HG2 VAL 61 1.714 4.109 -3.005 397 HG23 VAL 61 2HG2 VAL 61 1.746 3.376 -1.402 398 H GLU 62 H GLU 62 -0.779 7.391 -0.199 399 HA GLU 62 HA GLU 62 1.689 8.656 0.116 400 HB2 GLU 62 1HB GLU 62 -0.289 9.873 -0.598 401 HB3 GLU 62 2HB GLU 62 -1.048 9.613 0.964 402 HG2 GLU 62 1HG GLU 62 -0.216 11.878 0.775 403 HG3 GLU 62 2HG GLU 62 0.659 10.999 2.028 404 H LYS 63 H LYS 63 -0.770 8.166 2.653 405 HA LYS 63 HA LYS 63 1.002 8.944 4.751 406 HB2 LYS 63 1HB LYS 63 -1.588 7.390 4.934 407 HB3 LYS 63 2HB LYS 63 -0.759 8.173 6.270 408 HG2 LYS 63 1HG LYS 63 -1.102 10.354 5.144 409 HG3 LYS 63 2HG LYS 63 -2.039 9.523 3.901 410 HD2 LYS 63 1HD LYS 63 -3.571 10.459 5.484 411 HD3 LYS 63 2HD LYS 63 -3.565 8.710 5.708 412 HE2 LYS 63 1HE LYS 63 -3.544 9.879 7.855 413 HE3 LYS 63 2HE LYS 63 -2.061 8.956 7.623 414 HZ1 LYS 63 3HZ LYS 63 -2.349 11.879 7.170 415 HZ2 LYS 63 1HZ LYS 63 -0.922 10.991 7.009 416 HZ3 LYS 63 2HZ LYS 63 -1.639 11.166 8.525 417 H LEU 64 H LEU 64 0.194 5.998 3.205 418 HA LEU 64 HA LEU 64 0.991 4.068 5.039 419 HB2 LEU 64 1HB LEU 64 -0.111 3.674 2.843 420 HB3 LEU 64 2HB LEU 64 1.432 3.969 2.066 421 HG LEU 64 HG LEU 64 2.358 2.025 3.317 422 HD11 LEU 64 1HD1 LEU 64 0.847 1.963 5.170 423 HD12 LEU 64 2HD1 LEU 64 0.702 0.452 4.269 424 HD13 LEU 64 3HD1 LEU 64 -0.524 1.704 4.096 425 HD21 LEU 64 3HD2 LEU 64 1.616 1.806 1.004 426 HD22 LEU 64 1HD2 LEU 64 -0.030 1.485 1.552 427 HD23 LEU 64 2HD2 LEU 64 1.260 0.340 1.918 428 H ASN 65 H ASN 65 2.939 5.353 2.361 429 HA ASN 65 HA ASN 65 5.311 4.072 3.184 430 HB2 ASN 65 1HB ASN 65 5.051 4.722 0.909 431 HB3 ASN 65 2HB ASN 65 4.883 6.421 1.337 432 HD21 ASN 65 2HD2 ASN 65 7.078 3.740 0.986 433 HD22 ASN 65 1HD2 ASN 65 8.534 4.674 1.027 434 H GLN 66 H GLN 66 3.840 7.045 4.121 435 HA GLN 66 HA GLN 66 6.117 8.337 5.159 436 HB2 GLN 66 1HB GLN 66 3.496 9.019 4.874 437 HB3 GLN 66 2HB GLN 66 3.568 8.709 6.605 438 HG2 GLN 66 1HG GLN 66 3.955 11.040 6.172 439 HG3 GLN 66 2HG GLN 66 5.426 10.297 6.797 440 HE21 GLN 66 2HE2 GLN 66 4.282 9.879 3.519 441 HE22 GLN 66 1HE2 GLN 66 5.559 10.756 2.761 442 H VAL 67 H VAL 67 3.658 6.301 6.682 443 HA VAL 67 HA VAL 67 4.869 6.075 9.205 444 HB VAL 67 HB VAL 67 3.264 3.894 7.886 445 HG11 VAL 67 1HG1 VAL 67 4.270 3.205 9.950 446 HG12 VAL 67 2HG1 VAL 67 2.535 3.408 10.194 447 HG13 VAL 67 3HG1 VAL 67 3.657 4.638 10.773 448 HG21 VAL 67 3HG2 VAL 67 2.240 6.312 9.377 449 HG22 VAL 67 1HG2 VAL 67 1.256 4.958 8.825 450 HG23 VAL 67 2HG2 VAL 67 2.053 6.003 7.650 451 H CYS 68 H CYS 68 5.243 4.106 6.283 452 HA CYS 68 HA CYS 68 6.919 2.151 7.422 453 HB2 CYS 68 1HB CYS 68 6.838 3.047 4.544 454 HB3 CYS 68 2HB CYS 68 7.366 1.481 5.156 455 H ALA 69 H ALA 69 7.565 5.213 5.864 456 HA ALA 69 HA ALA 69 10.334 5.147 5.713 457 HB1 ALA 69 3HB ALA 69 8.978 6.965 4.783 458 HB2 ALA 69 1HB ALA 69 10.295 7.580 5.782 459 HB3 ALA 69 2HB ALA 69 8.647 7.547 6.414 460 H LYS 70 H LYS 70 8.359 5.251 8.517 461 HA LYS 70 HA LYS 70 10.332 6.318 10.281 462 HB2 LYS 70 1HB LYS 70 7.857 4.716 10.899 463 HB3 LYS 70 2HB LYS 70 8.820 5.611 12.068 464 HG2 LYS 70 1HG LYS 70 8.285 7.688 10.922 465 HG3 LYS 70 2HG LYS 70 7.325 6.793 9.746 466 HD2 LYS 70 1HD LYS 70 5.834 6.048 11.516 467 HD3 LYS 70 2HD LYS 70 6.805 6.913 12.712 468 HE2 LYS 70 1HE LYS 70 5.337 8.138 10.390 469 HE3 LYS 70 2HE LYS 70 4.826 8.190 12.077 470 HZ1 LYS 70 3HZ LYS 70 5.924 10.235 11.489 471 HZ2 LYS 70 1HZ LYS 70 7.289 9.405 10.947 472 HZ3 LYS 70 2HZ LYS 70 6.892 9.395 12.583 473 H ASP 71 H ASP 71 9.230 3.012 9.409 474 HA ASP 71 HA ASP 71 11.802 2.082 10.306 475 HB2 ASP 71 1HB ASP 71 11.009 0.285 11.703 476 HB3 ASP 71 2HB ASP 71 10.317 1.781 12.301 477 HA PRO 72 HA PRO 72 11.369 0.276 6.275 478 HB2 PRO 72 1HB PRO 72 13.752 -1.273 7.107 479 HB3 PRO 72 2HB PRO 72 13.526 -0.206 5.719 480 HG2 PRO 72 1HG PRO 72 15.006 0.552 7.803 481 HG3 PRO 72 2HG PRO 72 13.969 1.704 6.943 482 HD2 PRO 72 1HD PRO 72 13.521 0.336 9.565 483 HD3 PRO 72 2HD PRO 72 13.176 2.012 9.081 484 H GLN 73 H GLN 73 11.152 -1.453 9.216 485 HA GLN 73 HA GLN 73 11.063 -4.100 8.243 486 HB2 GLN 73 1HB GLN 73 9.719 -2.994 10.705 487 HB3 GLN 73 2HB GLN 73 10.195 -4.662 10.411 488 HG2 GLN 73 1HG GLN 73 12.516 -4.066 10.479 489 HG3 GLN 73 2HG GLN 73 12.112 -2.357 10.603 490 HE21 GLN 73 2HE2 GLN 73 11.263 -1.570 12.531 491 HE22 GLN 73 1HE2 GLN 73 11.443 -2.422 14.022 492 H MET 74 H MET 74 8.930 -1.594 7.714 493 HA MET 74 HA MET 74 6.523 -3.183 7.775 494 HB2 MET 74 1HB MET 74 6.967 -0.378 6.761 495 HB3 MET 74 2HB MET 74 5.403 -1.166 6.918 496 HG2 MET 74 1HG MET 74 5.812 -1.393 9.341 497 HG3 MET 74 2HG MET 74 7.306 -0.482 9.143 498 HE1 MET 74 3HE MET 74 3.064 1.223 8.528 499 HE2 MET 74 1HE MET 74 3.418 -0.419 9.069 500 HE3 MET 74 2HE MET 74 3.776 0.060 7.408 501 H LEU 75 H LEU 75 6.517 -4.782 6.300 502 HA LEU 75 HA LEU 75 7.407 -4.478 3.602 503 HB2 LEU 75 1HB LEU 75 5.618 -6.547 4.902 504 HB3 LEU 75 2HB LEU 75 6.086 -6.616 3.219 505 HG LEU 75 HG LEU 75 7.462 -8.147 4.378 506 HD11 LEU 75 1HD1 LEU 75 8.622 -6.848 2.695 507 HD12 LEU 75 2HD1 LEU 75 9.704 -7.303 4.010 508 HD13 LEU 75 3HD1 LEU 75 9.081 -5.658 3.912 509 HD21 LEU 75 3HD2 LEU 75 8.135 -5.935 6.313 510 HD22 LEU 75 1HD2 LEU 75 8.855 -7.545 6.302 511 HD23 LEU 75 2HD2 LEU 75 7.138 -7.351 6.648 512 H LEU 76 H LEU 76 6.005 -4.509 1.675 513 HA LEU 76 HA LEU 76 4.112 -2.457 1.774 514 HB2 LEU 76 1HB LEU 76 5.324 -3.188 -0.268 515 HB3 LEU 76 2HB LEU 76 4.295 -4.611 -0.327 516 HG LEU 76 HG LEU 76 2.320 -3.081 -0.533 517 HD11 LEU 76 1HD1 LEU 76 4.457 -0.990 -0.894 518 HD12 LEU 76 2HD1 LEU 76 3.275 -1.072 0.414 519 HD13 LEU 76 3HD1 LEU 76 2.744 -0.766 -1.238 520 HD21 LEU 76 3HD2 LEU 76 3.271 -4.184 -2.483 521 HD22 LEU 76 1HD2 LEU 76 4.427 -2.867 -2.679 522 HD23 LEU 76 2HD2 LEU 76 2.703 -2.568 -2.896 523 H ILE 77 H ILE 77 3.585 -5.953 1.487 524 HA ILE 77 HA ILE 77 0.806 -5.935 1.432 525 HB ILE 77 HB ILE 77 2.613 -8.035 2.650 526 HG12 ILE 77 1HG1 ILE 77 3.156 -7.574 0.305 527 HG13 ILE 77 2HG1 ILE 77 2.422 -9.162 0.475 528 HG21 ILE 77 1HG2 ILE 77 0.320 -8.324 3.396 529 HG22 ILE 77 2HG2 ILE 77 0.757 -9.592 2.251 530 HG23 ILE 77 3HG2 ILE 77 -0.252 -8.244 1.730 531 HD11 ILE 77 3HD1 ILE 77 1.577 -8.045 -1.482 532 HD12 ILE 77 1HD1 ILE 77 1.065 -6.666 -0.510 533 HD13 ILE 77 2HD1 ILE 77 0.287 -8.233 -0.297 534 H THR 78 H THR 78 2.963 -6.259 4.265 535 HA THR 78 HA THR 78 0.948 -6.469 6.184 536 HB THR 78 HB THR 78 3.577 -5.140 6.753 537 HG1 THR 78 HG1 THR 78 3.994 -7.687 6.971 538 HG21 THR 78 3HG2 THR 78 1.895 -7.191 8.210 539 HG22 THR 78 1HG2 THR 78 2.006 -5.476 8.604 540 HG23 THR 78 2HG2 THR 78 3.415 -6.518 8.794 541 H ALA 79 H ALA 79 2.814 -3.652 5.120 542 HA ALA 79 HA ALA 79 1.684 -1.692 6.671 543 HB1 ALA 79 3HB ALA 79 3.627 -1.429 5.153 544 HB2 ALA 79 1HB ALA 79 2.468 -0.103 5.062 545 HB3 ALA 79 2HB ALA 79 2.501 -1.332 3.800 546 H ILE 80 H ILE 80 0.477 -2.805 3.492 547 HA ILE 80 HA ILE 80 -1.661 -0.965 3.364 548 HB ILE 80 HB ILE 80 -1.477 -3.695 2.047 549 HG12 ILE 80 1HG1 ILE 80 -0.732 -0.951 1.003 550 HG13 ILE 80 2HG1 ILE 80 0.411 -2.185 1.517 551 HG21 ILE 80 1HG2 ILE 80 -3.221 -1.308 1.412 552 HG22 ILE 80 2HG2 ILE 80 -3.768 -2.876 2.007 553 HG23 ILE 80 3HG2 ILE 80 -3.062 -2.738 0.394 554 HD11 ILE 80 3HD1 ILE 80 0.212 -2.075 -0.906 555 HD12 ILE 80 1HD1 ILE 80 -1.511 -2.425 -0.787 556 HD13 ILE 80 2HD1 ILE 80 -0.328 -3.635 -0.289 557 H ASP 81 H ASP 81 -1.358 -4.090 4.905 558 HA ASP 81 HA ASP 81 -4.131 -4.357 5.574 559 HB2 ASP 81 1HB ASP 81 -2.718 -6.336 5.525 560 HB3 ASP 81 2HB ASP 81 -1.648 -5.647 6.739 561 H ASP 82 H ASP 82 -1.388 -2.740 6.930 562 HA ASP 82 HA ASP 82 -2.468 -2.324 9.543 563 HB2 ASP 82 1HB ASP 82 -0.016 -2.281 8.972 564 HB3 ASP 82 2HB ASP 82 -0.288 -0.735 8.176 565 H THR 83 H THR 83 -2.444 -0.482 6.539 566 HA THR 83 HA THR 83 -3.785 1.754 7.705 567 HB THR 83 HB THR 83 -4.321 2.211 5.170 568 HG1 THR 83 HG1 THR 83 -2.321 1.130 4.089 569 HG21 THR 83 3HG2 THR 83 -2.741 3.500 6.524 570 HG22 THR 83 1HG2 THR 83 -2.097 3.220 4.905 571 HG23 THR 83 2HG2 THR 83 -1.505 2.269 6.267 572 H MET 84 H MET 84 -4.751 -1.203 6.090 573 HA MET 84 HA MET 84 -7.440 -0.731 5.666 574 HB2 MET 84 1HB MET 84 -6.366 -2.774 4.895 575 HB3 MET 84 2HB MET 84 -6.087 -3.295 6.547 576 HG2 MET 84 1HG MET 84 -8.846 -2.854 5.452 577 HG3 MET 84 2HG MET 84 -7.998 -4.388 5.260 578 HE1 MET 84 3HE MET 84 -7.588 -5.478 9.023 579 HE2 MET 84 1HE MET 84 -6.447 -4.458 8.148 580 HE3 MET 84 2HE MET 84 -7.188 -5.842 7.342 581 H ARG 85 H ARG 85 -5.816 -1.618 8.647 582 HA ARG 85 HA ARG 85 -8.276 -1.997 10.090 583 HB2 ARG 85 1HB ARG 85 -6.918 -2.209 12.094 584 HB3 ARG 85 2HB ARG 85 -6.172 -3.120 10.791 585 HG2 ARG 85 1HG ARG 85 -4.612 -1.247 10.425 586 HG3 ARG 85 2HG ARG 85 -5.325 -0.422 11.810 587 HD2 ARG 85 1HD ARG 85 -4.670 -2.328 13.239 588 HD3 ARG 85 2HD ARG 85 -3.914 -3.080 11.830 589 HE ARG 85 HE ARG 85 -2.169 -1.571 11.952 590 HH11 ARG 85 1HH1 ARG 85 -4.658 -0.695 14.273 591 HH12 ARG 85 2HH1 ARG 85 -3.660 0.464 15.082 592 HH21 ARG 85 1HH2 ARG 85 -0.866 -0.046 13.019 593 HH22 ARG 85 2HH2 ARG 85 -1.498 0.842 14.370 594 H ALA 86 H ALA 86 -6.066 0.624 9.531 595 HA ALA 86 HA ALA 86 -7.074 2.453 11.402 596 HB1 ALA 86 3HB ALA 86 -5.892 4.148 10.126 597 HB2 ALA 86 1HB ALA 86 -5.718 3.031 8.773 598 HB3 ALA 86 2HB ALA 86 -4.901 2.701 10.301 599 H ILE 87 H ILE 87 -7.736 2.320 7.833 600 HA ILE 87 HA ILE 87 -9.882 4.246 8.235 601 HB ILE 87 HB ILE 87 -10.067 4.216 5.773 602 HG12 ILE 87 1HG1 ILE 87 -7.715 2.307 5.884 603 HG13 ILE 87 2HG1 ILE 87 -9.361 1.851 5.464 604 HG21 ILE 87 1HG2 ILE 87 -7.268 4.624 6.827 605 HG22 ILE 87 2HG2 ILE 87 -8.576 5.805 6.847 606 HG23 ILE 87 3HG2 ILE 87 -7.896 5.271 5.311 607 HD11 ILE 87 3HD1 ILE 87 -7.949 2.104 3.500 608 HD12 ILE 87 1HD1 ILE 87 -7.636 3.784 3.937 609 HD13 ILE 87 2HD1 ILE 87 -9.270 3.271 3.507 610 H GLY 88 H GLY 88 -9.558 0.936 8.249 611 HA2 GLY 88 1HA GLY 88 -11.905 0.121 6.850 612 HA3 GLY 88 2HA GLY 88 -10.975 -0.845 7.972 613 H LYS 89 H LYS 89 -11.402 1.500 9.947 614 HA LYS 89 HA LYS 89 -14.149 0.823 10.659 615 HB2 LYS 89 1HB LYS 89 -11.762 0.777 12.506 616 HB3 LYS 89 2HB LYS 89 -13.436 0.659 13.034 617 HG2 LYS 89 1HG LYS 89 -13.706 -1.392 11.770 618 HG3 LYS 89 2HG LYS 89 -12.044 -1.269 11.196 619 HD2 LYS 89 1HD LYS 89 -11.230 -1.480 13.475 620 HD3 LYS 89 2HD LYS 89 -12.892 -1.546 14.073 621 HE2 LYS 89 1HE LYS 89 -13.285 -3.569 12.786 622 HE3 LYS 89 2HE LYS 89 -11.640 -3.508 12.162 623 HZ1 LYS 89 3HZ LYS 89 -10.818 -3.786 14.406 624 HZ2 LYS 89 1HZ LYS 89 -11.849 -5.062 13.990 625 HZ3 LYS 89 2HZ LYS 89 -12.395 -3.827 15.008 626 H LYS 90 H LYS 90 -15.183 2.633 10.551 627 HA LYS 90 HA LYS 90 -13.866 5.104 11.398 628 HB2 LYS 90 1HB LYS 90 -16.288 4.683 9.637 629 HB3 LYS 90 2HB LYS 90 -15.624 6.249 10.081 630 HG2 LYS 90 1HG LYS 90 -13.556 5.734 8.912 631 HG3 LYS 90 2HG LYS 90 -14.161 4.125 8.519 632 HD2 LYS 90 1HD LYS 90 -15.926 5.073 7.172 633 HD3 LYS 90 2HD LYS 90 -15.455 6.704 7.645 634 HE2 LYS 90 1HE LYS 90 -14.609 6.247 5.436 635 HE3 LYS 90 2HE LYS 90 -13.259 6.341 6.562 636 HZ1 LYS 90 3HZ LYS 90 -13.081 4.492 4.981 637 HZ2 LYS 90 1HZ LYS 90 -14.493 3.816 5.607 638 HZ3 LYS 90 2HZ LYS 90 -13.113 3.941 6.578 Start of MODEL 4 1 H ASN 7 H ASN 7 7.081 -20.782 2.391 2 HA ASN 7 HA ASN 7 9.782 -19.828 1.729 3 HB2 ASN 7 1HB ASN 7 10.149 -21.985 0.598 4 HB3 ASN 7 2HB ASN 7 9.769 -22.213 2.302 5 HD21 ASN 7 2HD2 ASN 7 8.627 -22.530 -0.947 6 HD22 ASN 7 1HD2 ASN 7 7.287 -23.557 -0.598 7 H GLY 8 H GLY 8 6.517 -20.286 0.669 8 HA2 GLY 8 1HA GLY 8 7.196 -19.600 -2.095 9 HA3 GLY 8 2HA GLY 8 5.623 -20.132 -1.512 10 H LEU 9 H LEU 9 7.602 -17.648 -0.081 11 HA LEU 9 HA LEU 9 5.482 -15.773 -0.035 12 HB2 LEU 9 1HB LEU 9 7.794 -14.329 0.475 13 HB3 LEU 9 2HB LEU 9 6.731 -15.056 1.658 14 HG LEU 9 HG LEU 9 8.171 -17.098 1.635 15 HD11 LEU 9 1HD1 LEU 9 9.996 -15.413 -0.079 16 HD12 LEU 9 2HD1 LEU 9 9.168 -16.897 -0.565 17 HD13 LEU 9 3HD1 LEU 9 10.417 -16.954 0.674 18 HD21 LEU 9 3HD2 LEU 9 9.547 -14.505 2.312 19 HD22 LEU 9 1HD2 LEU 9 10.001 -16.097 2.919 20 HD23 LEU 9 2HD2 LEU 9 8.439 -15.402 3.349 21 HA PRO 10 HA PRO 10 6.152 -14.215 -4.197 22 HB2 PRO 10 1HB PRO 10 4.144 -12.214 -3.387 23 HB3 PRO 10 2HB PRO 10 4.083 -13.388 -4.704 24 HG2 PRO 10 1HG PRO 10 2.564 -13.657 -2.510 25 HG3 PRO 10 2HG PRO 10 3.244 -15.060 -3.353 26 HD2 PRO 10 1HD PRO 10 4.176 -13.724 -0.840 27 HD3 PRO 10 2HD PRO 10 4.063 -15.457 -1.234 28 H SER 11 H SER 11 6.845 -12.193 -5.151 29 HA SER 11 HA SER 11 8.739 -10.813 -3.613 30 HB2 SER 11 1HB SER 11 7.528 -10.013 -6.264 31 HB3 SER 11 2HB SER 11 9.034 -9.398 -5.585 32 HG SER 11 HG SER 11 9.972 -11.051 -6.427 33 H GLU 12 H GLU 12 5.375 -10.336 -3.969 34 HA GLU 12 HA GLU 12 5.108 -7.597 -3.430 35 HB2 GLU 12 1HB GLU 12 3.308 -9.872 -2.572 36 HB3 GLU 12 2HB GLU 12 2.859 -8.174 -2.621 37 HG2 GLU 12 1HG GLU 12 3.081 -8.133 -5.014 38 HG3 GLU 12 2HG GLU 12 3.683 -9.790 -5.015 39 H THR 13 H THR 13 5.849 -10.314 -1.385 40 HA THR 13 HA THR 13 5.562 -8.730 1.050 41 HB THR 13 HB THR 13 6.069 -10.799 2.263 42 HG1 THR 13 HG1 THR 13 6.613 -11.812 -0.351 43 HG21 THR 13 3HG2 THR 13 4.097 -11.301 0.027 44 HG22 THR 13 1HG2 THR 13 3.750 -10.437 1.525 45 HG23 THR 13 2HG2 THR 13 4.155 -12.152 1.570 46 H TYR 14 H TYR 14 7.869 -9.332 -1.281 47 HA TYR 14 HA TYR 14 10.187 -9.418 0.397 48 HB2 TYR 14 1HB TYR 14 10.267 -10.589 -1.686 49 HB3 TYR 14 2HB TYR 14 9.762 -9.163 -2.579 50 HD1 TYR 14 HD1 TYR 14 12.559 -10.760 -0.804 51 HD2 TYR 14 HD2 TYR 14 11.342 -7.497 -3.238 52 HE1 TYR 14 HE1 TYR 14 14.909 -10.203 -1.230 53 HE2 TYR 14 HE2 TYR 14 13.683 -6.928 -3.669 54 HH TYR 14 HH TYR 14 16.242 -9.021 -2.936 55 H ILE 15 H ILE 15 8.302 -6.925 -1.150 56 HA ILE 15 HA ILE 15 10.463 -4.988 -0.766 57 HB ILE 15 HB ILE 15 9.051 -3.441 -2.079 58 HG12 ILE 15 1HG1 ILE 15 7.297 -5.838 -2.618 59 HG13 ILE 15 2HG1 ILE 15 6.895 -4.602 -1.432 60 HG21 ILE 15 1HG2 ILE 15 9.386 -4.543 -4.239 61 HG22 ILE 15 2HG2 ILE 15 9.603 -6.089 -3.419 62 HG23 ILE 15 3HG2 ILE 15 10.770 -4.791 -3.174 63 HD11 ILE 15 3HD1 ILE 15 5.752 -4.247 -3.535 64 HD12 ILE 15 1HD1 ILE 15 7.304 -4.143 -4.371 65 HD13 ILE 15 2HD1 ILE 15 6.862 -2.928 -3.167 66 H THR 16 H THR 16 9.695 -2.766 -0.093 67 HA THR 16 HA THR 16 7.804 -3.013 2.151 68 HB THR 16 HB THR 16 9.144 -1.298 3.316 69 HG1 THR 16 HG1 THR 16 11.104 -1.636 1.288 70 HG21 THR 16 3HG2 THR 16 10.796 -3.648 2.368 71 HG22 THR 16 1HG2 THR 16 9.695 -3.643 3.744 72 HG23 THR 16 2HG2 THR 16 11.153 -2.654 3.779 73 H CYS 17 H CYS 17 6.836 -0.826 2.749 74 HA CYS 17 HA CYS 17 5.838 0.388 0.353 75 HB2 CYS 17 1HB CYS 17 4.391 1.691 1.771 76 HB3 CYS 17 2HB CYS 17 4.400 0.034 2.352 77 H ALA 18 H ALA 18 8.447 0.961 2.450 78 HA ALA 18 HA ALA 18 8.779 3.752 2.000 79 HB1 ALA 18 3HB ALA 18 9.895 2.666 3.866 80 HB2 ALA 18 1HB ALA 18 11.101 3.350 2.781 81 HB3 ALA 18 2HB ALA 18 10.782 1.618 2.761 82 H GLU 19 H GLU 19 10.021 0.811 0.519 83 HA GLU 19 HA GLU 19 11.633 2.037 -1.437 84 HB2 GLU 19 1HB GLU 19 10.340 -0.685 -1.370 85 HB3 GLU 19 2HB GLU 19 11.538 -0.183 -2.558 86 HG2 GLU 19 1HG GLU 19 13.201 0.071 -0.873 87 HG3 GLU 19 2HG GLU 19 12.019 -0.186 0.405 88 H ALA 20 H ALA 20 8.230 1.658 -1.190 89 HA ALA 20 HA ALA 20 7.545 1.590 -3.886 90 HB1 ALA 20 3HB ALA 20 5.927 1.148 -2.112 91 HB2 ALA 20 1HB ALA 20 5.355 2.434 -3.175 92 HB3 ALA 20 2HB ALA 20 6.024 2.830 -1.592 93 H ASN 21 H ASN 21 8.564 4.192 -1.784 94 HA ASN 21 HA ASN 21 7.752 6.348 -3.462 95 HB2 ASN 21 1HB ASN 21 9.956 6.277 -1.382 96 HB3 ASN 21 2HB ASN 21 9.328 7.734 -2.141 97 HD21 ASN 21 2HD2 ASN 21 8.867 5.351 0.267 98 HD22 ASN 21 1HD2 ASN 21 7.440 6.028 0.972 99 H GLU 22 H GLU 22 10.714 4.528 -3.076 100 HA GLU 22 HA GLU 22 12.391 5.816 -4.870 101 HB2 GLU 22 1HB GLU 22 12.182 2.825 -4.466 102 HB3 GLU 22 2HB GLU 22 13.560 3.680 -5.141 103 HG2 GLU 22 1HG GLU 22 12.521 3.969 -2.333 104 HG3 GLU 22 2HG GLU 22 13.928 3.025 -2.822 105 H MET 23 H MET 23 10.199 3.103 -5.546 106 HA MET 23 HA MET 23 10.553 3.113 -8.328 107 HB2 MET 23 1HB MET 23 8.186 2.164 -6.711 108 HB3 MET 23 2HB MET 23 8.436 1.821 -8.414 109 HG2 MET 23 1HG MET 23 10.560 0.678 -7.795 110 HG3 MET 23 2HG MET 23 10.120 0.897 -6.103 111 HE1 MET 23 3HE MET 23 6.897 0.482 -6.328 112 HE2 MET 23 1HE MET 23 7.900 -0.155 -5.023 113 HE3 MET 23 2HE MET 23 6.800 -1.223 -5.894 114 H ALA 24 H ALA 24 8.170 4.720 -6.274 115 HA ALA 24 HA ALA 24 6.439 5.747 -8.166 116 HB1 ALA 24 3HB ALA 24 5.853 7.464 -6.555 117 HB2 ALA 24 1HB ALA 24 7.343 7.161 -5.660 118 HB3 ALA 24 2HB ALA 24 6.093 5.920 -5.735 119 H LYS 25 H LYS 25 9.584 6.918 -7.221 120 HA LYS 25 HA LYS 25 9.606 9.405 -8.430 121 HB2 LYS 25 1HB LYS 25 11.394 8.861 -6.994 122 HB3 LYS 25 2HB LYS 25 11.776 7.394 -7.871 123 HG2 LYS 25 1HG LYS 25 12.074 9.975 -9.304 124 HG3 LYS 25 2HG LYS 25 13.254 9.578 -8.051 125 HD2 LYS 25 1HD LYS 25 13.903 7.595 -9.153 126 HD3 LYS 25 2HD LYS 25 12.513 7.651 -10.233 127 HE2 LYS 25 1HE LYS 25 13.414 9.679 -11.280 128 HE3 LYS 25 2HE LYS 25 14.811 9.608 -10.207 129 HZ1 LYS 25 3HZ LYS 25 15.173 8.671 -12.464 130 HZ2 LYS 25 1HZ LYS 25 14.075 7.444 -12.098 131 HZ3 LYS 25 2HZ LYS 25 15.513 7.586 -11.212 132 H THR 26 H THR 26 9.673 6.301 -9.950 133 HA THR 26 HA THR 26 10.097 7.622 -12.559 134 HB THR 26 HB THR 26 10.862 4.757 -11.933 135 HG1 THR 26 HG1 THR 26 12.847 5.461 -11.519 136 HG21 THR 26 3HG2 THR 26 10.330 5.154 -14.283 137 HG22 THR 26 1HG2 THR 26 12.065 4.906 -14.085 138 HG23 THR 26 2HG2 THR 26 11.426 6.534 -14.313 139 H ASP 27 H ASP 27 8.289 5.359 -10.659 140 HA ASP 27 HA ASP 27 6.339 5.083 -12.816 141 HB2 ASP 27 1HB ASP 27 7.421 2.829 -11.120 142 HB3 ASP 27 2HB ASP 27 5.990 2.693 -12.135 143 H SER 28 H SER 28 5.539 6.843 -11.395 144 HA SER 28 HA SER 28 4.546 6.433 -8.806 145 HB2 SER 28 1HB SER 28 3.320 8.229 -10.903 146 HB3 SER 28 2HB SER 28 3.258 8.431 -9.153 147 HG SER 28 HG SER 28 5.791 8.352 -9.657 148 H ALA 29 H ALA 29 3.258 5.638 -11.942 149 HA ALA 29 HA ALA 29 0.584 5.149 -11.142 150 HB1 ALA 29 3HB ALA 29 1.202 5.584 -13.469 151 HB2 ALA 29 1HB ALA 29 0.327 4.063 -13.305 152 HB3 ALA 29 2HB ALA 29 2.076 4.054 -13.522 153 H GLN 30 H GLN 30 3.456 3.096 -11.321 154 HA GLN 30 HA GLN 30 2.011 0.665 -10.998 155 HB2 GLN 30 1HB GLN 30 4.940 1.256 -10.632 156 HB3 GLN 30 2HB GLN 30 4.237 -0.352 -10.555 157 HG2 GLN 30 1HG GLN 30 3.394 0.004 -12.881 158 HG3 GLN 30 2HG GLN 30 4.345 1.487 -12.925 159 HE21 GLN 30 2HE2 GLN 30 6.456 0.271 -11.261 160 HE22 GLN 30 1HE2 GLN 30 7.337 -0.770 -12.317 161 H VAL 31 H VAL 31 3.524 2.895 -8.747 162 HA VAL 31 HA VAL 31 3.392 1.107 -6.541 163 HB VAL 31 HB VAL 31 3.941 2.975 -5.119 164 HG11 VAL 31 1HG1 VAL 31 5.416 3.111 -7.738 165 HG12 VAL 31 2HG1 VAL 31 5.733 1.998 -6.409 166 HG13 VAL 31 3HG1 VAL 31 6.007 3.726 -6.194 167 HG21 VAL 31 3HG2 VAL 31 3.476 4.748 -7.518 168 HG22 VAL 31 1HG2 VAL 31 4.093 5.268 -5.950 169 HG23 VAL 31 2HG2 VAL 31 2.444 4.656 -6.093 170 H ALA 32 H ALA 32 1.182 3.311 -8.016 171 HA ALA 32 HA ALA 32 -0.686 3.264 -5.807 172 HB1 ALA 32 3HB ALA 32 -2.158 4.520 -7.322 173 HB2 ALA 32 1HB ALA 32 -1.011 4.272 -8.639 174 HB3 ALA 32 2HB ALA 32 -0.553 5.247 -7.243 175 H GLU 33 H GLU 33 -0.024 1.586 -8.743 176 HA GLU 33 HA GLU 33 -2.494 0.246 -9.038 177 HB2 GLU 33 1HB GLU 33 -0.980 0.573 -10.908 178 HB3 GLU 33 2HB GLU 33 0.270 -0.355 -10.096 179 HG2 GLU 33 1HG GLU 33 -0.713 -1.709 -11.785 180 HG3 GLU 33 2HG GLU 33 -1.196 -2.342 -10.213 181 H ILE 34 H ILE 34 0.687 -0.766 -7.779 182 HA ILE 34 HA ILE 34 -0.076 -3.404 -7.289 183 HB ILE 34 HB ILE 34 2.275 -2.796 -7.458 184 HG12 ILE 34 1HG1 ILE 34 1.639 -3.859 -4.716 185 HG13 ILE 34 2HG1 ILE 34 1.591 -4.804 -6.200 186 HG21 ILE 34 1HG2 ILE 34 1.927 -1.372 -4.822 187 HG22 ILE 34 2HG2 ILE 34 2.208 -0.608 -6.385 188 HG23 ILE 34 3HG2 ILE 34 3.455 -1.628 -5.666 189 HD11 ILE 34 3HD1 ILE 34 4.032 -3.490 -5.020 190 HD12 ILE 34 1HD1 ILE 34 3.988 -4.441 -6.504 191 HD13 ILE 34 2HD1 ILE 34 3.644 -5.208 -4.954 192 H VAL 35 H VAL 35 0.050 -0.608 -5.076 193 HA VAL 35 HA VAL 35 -0.878 -1.988 -2.847 194 HB VAL 35 HB VAL 35 -1.496 0.167 -1.919 195 HG11 VAL 35 1HG1 VAL 35 1.111 0.262 -3.410 196 HG12 VAL 35 2HG1 VAL 35 0.832 -0.512 -1.852 197 HG13 VAL 35 3HG1 VAL 35 0.696 1.239 -2.003 198 HG21 VAL 35 3HG2 VAL 35 -0.893 1.292 -4.646 199 HG22 VAL 35 1HG2 VAL 35 -1.223 2.238 -3.194 200 HG23 VAL 35 2HG2 VAL 35 -2.481 1.210 -3.880 201 H ALA 36 H ALA 36 -2.595 -0.871 -5.631 202 HA ALA 36 HA ALA 36 -5.177 -0.982 -4.353 203 HB1 ALA 36 3HB ALA 36 -6.077 -0.473 -6.559 204 HB2 ALA 36 1HB ALA 36 -4.484 -0.713 -7.276 205 HB3 ALA 36 2HB ALA 36 -4.754 0.624 -6.158 206 H VAL 37 H VAL 37 -3.267 -2.954 -6.553 207 HA VAL 37 HA VAL 37 -5.060 -4.880 -7.343 208 HB VAL 37 HB VAL 37 -2.187 -5.400 -6.519 209 HG11 VAL 37 1HG1 VAL 37 -3.462 -7.476 -6.676 210 HG12 VAL 37 2HG1 VAL 37 -2.303 -7.346 -7.999 211 HG13 VAL 37 3HG1 VAL 37 -4.013 -7.024 -8.289 212 HG21 VAL 37 3HG2 VAL 37 -3.370 -4.754 -9.219 213 HG22 VAL 37 1HG2 VAL 37 -1.680 -5.140 -8.899 214 HG23 VAL 37 2HG2 VAL 37 -2.390 -3.670 -8.233 215 H MET 38 H MET 38 -2.870 -5.577 -4.564 216 HA MET 38 HA MET 38 -4.763 -7.411 -3.507 217 HB2 MET 38 1HB MET 38 -3.169 -7.620 -1.629 218 HB3 MET 38 2HB MET 38 -2.412 -7.833 -3.200 219 HG2 MET 38 1HG MET 38 -1.308 -5.789 -3.087 220 HG3 MET 38 2HG MET 38 -2.379 -5.177 -1.828 221 HE1 MET 38 3HE MET 38 -2.506 -7.480 0.318 222 HE2 MET 38 1HE MET 38 -2.257 -5.767 0.654 223 HE3 MET 38 2HE MET 38 -1.182 -6.968 1.365 224 H GLY 39 H GLY 39 -4.061 -4.055 -2.969 225 HA2 GLY 39 1HA GLY 39 -5.024 -3.759 -0.358 226 HA3 GLY 39 2HA GLY 39 -4.960 -2.489 -1.568 227 H ASN 40 H ASN 40 -6.720 -3.329 -3.428 228 HA ASN 40 HA ASN 40 -9.174 -2.558 -2.330 229 HB2 ASN 40 1HB ASN 40 -10.049 -2.644 -4.466 230 HB3 ASN 40 2HB ASN 40 -8.327 -2.674 -4.840 231 HD21 ASN 40 2HD2 ASN 40 -7.429 -4.475 -5.682 232 HD22 ASN 40 1HD2 ASN 40 -8.345 -5.820 -6.263 233 H ALA 41 H ALA 41 -7.964 -5.807 -3.026 234 HA ALA 41 HA ALA 41 -10.319 -7.161 -2.202 235 HB1 ALA 41 3HB ALA 41 -8.934 -9.171 -2.180 236 HB2 ALA 41 1HB ALA 41 -7.479 -8.181 -2.288 237 HB3 ALA 41 2HB ALA 41 -8.623 -8.213 -3.628 238 H SER 42 H SER 42 -7.409 -6.145 -0.558 239 HA SER 42 HA SER 42 -7.849 -7.448 1.898 240 HB2 SER 42 1HB SER 42 -6.360 -4.861 1.372 241 HB3 SER 42 2HB SER 42 -6.255 -5.815 2.851 242 HG SER 42 HG SER 42 -5.555 -6.714 0.242 243 H VAL 43 H VAL 43 -8.561 -4.056 0.979 244 HA VAL 43 HA VAL 43 -10.032 -3.549 3.341 245 HB VAL 43 HB VAL 43 -10.810 -1.509 2.228 246 HG11 VAL 43 1HG1 VAL 43 -8.608 -0.482 1.860 247 HG12 VAL 43 2HG1 VAL 43 -7.879 -2.088 1.840 248 HG13 VAL 43 3HG1 VAL 43 -8.647 -1.485 3.309 249 HG21 VAL 43 3HG2 VAL 43 -11.165 -2.273 0.020 250 HG22 VAL 43 1HG2 VAL 43 -9.461 -2.699 -0.175 251 HG23 VAL 43 2HG2 VAL 43 -9.933 -1.004 -0.035 252 H ALA 44 H ALA 44 -11.311 -4.389 -0.011 253 HA ALA 44 HA ALA 44 -13.933 -3.952 0.688 254 HB1 ALA 44 3HB ALA 44 -14.488 -5.155 -1.305 255 HB2 ALA 44 1HB ALA 44 -12.887 -5.898 -1.350 256 HB3 ALA 44 2HB ALA 44 -13.059 -4.161 -1.595 257 H SER 45 H SER 45 -12.028 -6.300 2.043 258 HA SER 45 HA SER 45 -14.161 -8.278 2.125 259 HB2 SER 45 1HB SER 45 -12.376 -9.515 3.596 260 HB3 SER 45 2HB SER 45 -12.189 -9.443 1.844 261 HG SER 45 HG SER 45 -10.580 -8.075 2.034 262 H ARG 46 H ARG 46 -12.542 -5.925 4.186 263 HA ARG 46 HA ARG 46 -14.489 -6.592 6.312 264 HB2 ARG 46 1HB ARG 46 -11.630 -5.696 6.628 265 HB3 ARG 46 2HB ARG 46 -12.793 -5.710 7.945 266 HG2 ARG 46 1HG ARG 46 -13.049 -8.112 7.723 267 HG3 ARG 46 2HG ARG 46 -11.928 -8.117 6.358 268 HD2 ARG 46 1HD ARG 46 -10.173 -7.232 7.826 269 HD3 ARG 46 2HD ARG 46 -11.295 -7.281 9.182 270 HE ARG 46 HE ARG 46 -11.379 -9.742 8.790 271 HH11 ARG 46 1HH1 ARG 46 -8.622 -7.903 7.658 272 HH12 ARG 46 2HH1 ARG 46 -7.494 -9.189 7.867 273 HH21 ARG 46 1HH2 ARG 46 -9.881 -11.479 9.058 274 HH22 ARG 46 2HH2 ARG 46 -8.213 -11.230 8.675 275 H ASP 47 H ASP 47 -13.090 -4.175 4.332 276 HA ASP 47 HA ASP 47 -14.537 -2.094 5.758 277 HB2 ASP 47 1HB ASP 47 -12.085 -1.750 5.585 278 HB3 ASP 47 2HB ASP 47 -12.219 -1.838 3.830 279 H LEU 48 H LEU 48 -16.208 -3.264 4.648 280 HA LEU 48 HA LEU 48 -16.735 -3.336 1.914 281 HB2 LEU 48 1HB LEU 48 -18.765 -2.984 4.114 282 HB3 LEU 48 2HB LEU 48 -19.065 -3.619 2.509 283 HG LEU 48 HG LEU 48 -17.299 -4.957 4.562 284 HD11 LEU 48 1HD1 LEU 48 -19.134 -6.540 4.840 285 HD12 LEU 48 2HD1 LEU 48 -20.138 -5.573 3.761 286 HD13 LEU 48 3HD1 LEU 48 -19.614 -4.911 5.311 287 HD21 LEU 48 3HD2 LEU 48 -17.487 -6.891 3.067 288 HD22 LEU 48 1HD2 LEU 48 -16.715 -5.521 2.269 289 HD23 LEU 48 2HD2 LEU 48 -18.400 -5.911 1.921 290 H LYS 49 H LYS 49 -16.346 -0.574 3.714 291 HA LYS 49 HA LYS 49 -18.314 1.004 2.259 292 HB2 LYS 49 1HB LYS 49 -17.710 2.843 3.720 293 HB3 LYS 49 2HB LYS 49 -17.982 1.409 4.694 294 HG2 LYS 49 1HG LYS 49 -16.081 2.174 5.677 295 HG3 LYS 49 2HG LYS 49 -15.358 1.170 4.421 296 HD2 LYS 49 1HD LYS 49 -15.401 3.335 2.992 297 HD3 LYS 49 2HD LYS 49 -15.614 4.163 4.536 298 HE2 LYS 49 1HE LYS 49 -13.345 2.329 3.771 299 HE3 LYS 49 2HE LYS 49 -13.252 4.090 3.935 300 HZ1 LYS 49 3HZ LYS 49 -13.891 3.731 6.323 301 HZ2 LYS 49 1HZ LYS 49 -12.378 3.089 5.884 302 HZ3 LYS 49 2HZ LYS 49 -13.697 2.059 6.030 303 H ILE 50 H ILE 50 -15.349 -0.198 1.699 304 HA ILE 50 HA ILE 50 -13.787 1.909 0.827 305 HB ILE 50 HB ILE 50 -12.947 -0.432 1.135 306 HG12 ILE 50 1HG1 ILE 50 -11.504 -0.406 -0.961 307 HG13 ILE 50 2HG1 ILE 50 -12.476 0.949 -1.516 308 HG21 ILE 50 1HG2 ILE 50 -14.763 -1.643 0.077 309 HG22 ILE 50 2HG2 ILE 50 -13.225 -2.043 -0.689 310 HG23 ILE 50 3HG2 ILE 50 -14.348 -0.944 -1.488 311 HD11 ILE 50 3HD1 ILE 50 -10.833 0.901 1.008 312 HD12 ILE 50 1HD1 ILE 50 -11.779 2.265 0.409 313 HD13 ILE 50 2HD1 ILE 50 -10.385 1.691 -0.505 314 H GLU 51 H GLU 51 -13.681 3.099 -0.934 315 HA GLU 51 HA GLU 51 -15.494 2.512 -3.158 316 HB2 GLU 51 1HB GLU 51 -14.304 5.140 -2.250 317 HB3 GLU 51 2HB GLU 51 -15.355 4.935 -3.649 318 HG2 GLU 51 1HG GLU 51 -17.178 4.245 -2.246 319 HG3 GLU 51 2HG GLU 51 -16.139 4.264 -0.823 320 H GLN 52 H GLN 52 -14.633 2.180 -5.136 321 HA GLN 52 HA GLN 52 -11.823 1.627 -5.231 322 HB2 GLN 52 1HB GLN 52 -13.870 1.465 -7.441 323 HB3 GLN 52 2HB GLN 52 -12.254 0.773 -7.476 324 HG2 GLN 52 1HG GLN 52 -14.511 -0.018 -5.646 325 HG3 GLN 52 2HG GLN 52 -13.882 -0.941 -7.007 326 HE21 GLN 52 2HE2 GLN 52 -14.105 -1.670 -4.194 327 HE22 GLN 52 1HE2 GLN 52 -12.507 -2.073 -3.676 328 H SER 53 H SER 53 -13.595 4.404 -5.853 329 HA SER 53 HA SER 53 -12.505 5.646 -8.002 330 HB2 SER 53 1HB SER 53 -12.694 7.778 -6.546 331 HB3 SER 53 2HB SER 53 -14.152 6.826 -6.838 332 HG SER 53 HG SER 53 -12.753 5.978 -4.655 333 HA PRO 54 HA PRO 54 -8.127 5.878 -7.659 334 HB2 PRO 54 1HB PRO 54 -7.733 8.355 -8.833 335 HB3 PRO 54 2HB PRO 54 -7.964 6.840 -9.711 336 HG2 PRO 54 1HG PRO 54 -9.956 8.973 -9.053 337 HG3 PRO 54 2HG PRO 54 -9.753 8.055 -10.556 338 HD2 PRO 54 1HD PRO 54 -11.694 7.452 -8.835 339 HD3 PRO 54 2HD PRO 54 -10.806 6.173 -9.690 340 H GLU 55 H GLU 55 -10.082 8.380 -6.304 341 HA GLU 55 HA GLU 55 -7.980 9.840 -5.052 342 HB2 GLU 55 1HB GLU 55 -10.925 9.708 -4.446 343 HB3 GLU 55 2HB GLU 55 -9.809 10.746 -3.568 344 HG2 GLU 55 1HG GLU 55 -9.196 11.811 -5.723 345 HG3 GLU 55 2HG GLU 55 -10.456 10.854 -6.502 346 H LEU 56 H LEU 56 -9.621 6.908 -4.285 347 HA LEU 56 HA LEU 56 -8.738 6.885 -1.548 348 HB2 LEU 56 1HB LEU 56 -10.169 4.952 -3.321 349 HB3 LEU 56 2HB LEU 56 -9.375 4.340 -1.881 350 HG LEU 56 HG LEU 56 -11.755 4.732 -1.487 351 HD11 LEU 56 1HD1 LEU 56 -10.195 4.988 0.372 352 HD12 LEU 56 2HD1 LEU 56 -11.586 6.059 0.534 353 HD13 LEU 56 3HD1 LEU 56 -10.035 6.705 0.003 354 HD21 LEU 56 3HD2 LEU 56 -12.139 6.534 -3.081 355 HD22 LEU 56 1HD2 LEU 56 -11.151 7.624 -2.108 356 HD23 LEU 56 2HD2 LEU 56 -12.674 7.005 -1.468 357 H SER 57 H SER 57 -7.647 5.617 -4.648 358 HA SER 57 HA SER 57 -5.552 4.022 -3.690 359 HB2 SER 57 1HB SER 57 -5.648 5.582 -6.285 360 HB3 SER 57 2HB SER 57 -4.666 4.154 -5.949 361 HG SER 57 HG SER 57 -6.979 3.293 -5.415 362 H ALA 58 H ALA 58 -5.445 7.305 -5.026 363 HA ALA 58 HA ALA 58 -2.928 8.124 -4.362 364 HB1 ALA 58 3HB ALA 58 -3.759 10.414 -4.227 365 HB2 ALA 58 1HB ALA 58 -5.405 9.815 -4.026 366 HB3 ALA 58 2HB ALA 58 -4.547 9.542 -5.543 367 H LYS 59 H LYS 59 -5.679 7.953 -2.176 368 HA LYS 59 HA LYS 59 -4.409 9.069 0.101 369 HB2 LYS 59 1HB LYS 59 -6.838 8.948 -0.115 370 HB3 LYS 59 2HB LYS 59 -6.769 7.195 -0.144 371 HG2 LYS 59 1HG LYS 59 -5.855 7.263 2.174 372 HG3 LYS 59 2HG LYS 59 -6.138 9.003 2.178 373 HD2 LYS 59 1HD LYS 59 -8.534 8.549 1.665 374 HD3 LYS 59 2HD LYS 59 -8.202 6.827 1.849 375 HE2 LYS 59 1HE LYS 59 -9.122 7.609 3.908 376 HE3 LYS 59 2HE LYS 59 -7.404 7.316 4.170 377 HZ1 LYS 59 3HZ LYS 59 -8.681 9.956 3.707 378 HZ2 LYS 59 1HZ LYS 59 -7.018 9.706 3.899 379 HZ3 LYS 59 2HZ LYS 59 -8.071 9.388 5.175 380 H VAL 60 H VAL 60 -5.127 5.724 -0.810 381 HA VAL 60 HA VAL 60 -3.922 4.520 1.419 382 HB VAL 60 HB VAL 60 -5.604 3.467 -0.196 383 HG11 VAL 60 1HG1 VAL 60 -4.753 2.137 -2.014 384 HG12 VAL 60 2HG1 VAL 60 -3.106 2.655 -1.660 385 HG13 VAL 60 3HG1 VAL 60 -4.287 3.825 -2.243 386 HG21 VAL 60 3HG2 VAL 60 -4.821 1.189 0.304 387 HG22 VAL 60 1HG2 VAL 60 -4.673 2.263 1.696 388 HG23 VAL 60 2HG2 VAL 60 -3.244 1.840 0.750 389 H VAL 61 H VAL 61 -2.392 5.832 -1.359 390 HA VAL 61 HA VAL 61 0.032 4.276 -0.739 391 HB VAL 61 HB VAL 61 -0.725 4.399 -3.144 392 HG11 VAL 61 1HG1 VAL 61 0.195 7.258 -2.926 393 HG12 VAL 61 2HG1 VAL 61 -1.452 6.703 -3.225 394 HG13 VAL 61 3HG1 VAL 61 -0.193 6.419 -4.426 395 HG21 VAL 61 3HG2 VAL 61 1.551 3.739 -2.596 396 HG22 VAL 61 1HG2 VAL 61 2.048 5.428 -2.515 397 HG23 VAL 61 2HG2 VAL 61 1.551 4.729 -4.054 398 H GLU 62 H GLU 62 -1.368 7.177 -0.022 399 HA GLU 62 HA GLU 62 1.002 8.842 -0.085 400 HB2 GLU 62 1HB GLU 62 -1.284 9.742 -0.517 401 HB3 GLU 62 2HB GLU 62 -1.669 9.460 1.173 402 HG2 GLU 62 1HG GLU 62 -1.120 11.774 0.852 403 HG3 GLU 62 2HG GLU 62 0.143 11.004 1.812 404 H LYS 63 H LYS 63 -1.180 7.906 2.576 405 HA LYS 63 HA LYS 63 0.874 8.593 4.491 406 HB2 LYS 63 1HB LYS 63 -1.891 7.475 4.909 407 HB3 LYS 63 2HB LYS 63 -0.826 8.067 6.178 408 HG2 LYS 63 1HG LYS 63 -0.880 10.294 5.215 409 HG3 LYS 63 2HG LYS 63 -1.903 9.713 3.900 410 HD2 LYS 63 1HD LYS 63 -3.631 9.119 5.519 411 HD3 LYS 63 2HD LYS 63 -2.610 9.717 6.827 412 HE2 LYS 63 1HE LYS 63 -2.626 11.945 5.783 413 HE3 LYS 63 2HE LYS 63 -3.705 11.330 4.532 414 HZ1 LYS 63 3HZ LYS 63 -5.360 10.877 6.211 415 HZ2 LYS 63 1HZ LYS 63 -4.896 12.499 6.280 416 HZ3 LYS 63 2HZ LYS 63 -4.322 11.403 7.433 417 H LEU 64 H LEU 64 -0.180 5.801 2.899 418 HA LEU 64 HA LEU 64 0.393 3.854 4.840 419 HB2 LEU 64 1HB LEU 64 -1.030 3.383 2.983 420 HB3 LEU 64 2HB LEU 64 0.261 3.694 1.851 421 HG LEU 64 HG LEU 64 0.691 1.483 3.793 422 HD11 LEU 64 1HD1 LEU 64 -1.223 1.346 1.469 423 HD12 LEU 64 2HD1 LEU 64 -1.613 1.103 3.173 424 HD13 LEU 64 3HD1 LEU 64 -0.573 -0.044 2.331 425 HD21 LEU 64 3HD2 LEU 64 1.182 1.785 0.828 426 HD22 LEU 64 1HD2 LEU 64 1.742 0.461 1.850 427 HD23 LEU 64 2HD2 LEU 64 2.368 2.091 2.097 428 H ASN 65 H ASN 65 2.711 5.847 3.280 429 HA ASN 65 HA ASN 65 4.530 3.614 2.931 430 HB2 ASN 65 1HB ASN 65 5.999 5.123 1.639 431 HB3 ASN 65 2HB ASN 65 4.420 4.943 0.893 432 HD21 ASN 65 2HD2 ASN 65 3.286 6.704 0.437 433 HD22 ASN 65 1HD2 ASN 65 3.722 8.302 0.910 434 H GLN 66 H GLN 66 3.523 5.609 5.149 435 HA GLN 66 HA GLN 66 6.073 6.653 6.132 436 HB2 GLN 66 1HB GLN 66 4.846 7.859 7.765 437 HB3 GLN 66 2HB GLN 66 3.864 7.939 6.309 438 HG2 GLN 66 1HG GLN 66 2.593 5.949 7.248 439 HG3 GLN 66 2HG GLN 66 3.414 6.286 8.771 440 HE21 GLN 66 2HE2 GLN 66 0.594 6.399 8.058 441 HE22 GLN 66 1HE2 GLN 66 0.073 8.005 8.415 442 H VAL 67 H VAL 67 3.830 4.101 6.616 443 HA VAL 67 HA VAL 67 4.463 3.065 9.078 444 HB VAL 67 HB VAL 67 3.960 1.464 6.559 445 HG11 VAL 67 1HG1 VAL 67 3.568 0.705 9.451 446 HG12 VAL 67 2HG1 VAL 67 4.818 0.083 8.374 447 HG13 VAL 67 3HG1 VAL 67 3.120 -0.278 8.058 448 HG21 VAL 67 3HG2 VAL 67 2.201 3.101 6.913 449 HG22 VAL 67 1HG2 VAL 67 2.013 2.567 8.584 450 HG23 VAL 67 2HG2 VAL 67 1.598 1.481 7.258 451 H CYS 68 H CYS 68 6.107 2.505 6.003 452 HA CYS 68 HA CYS 68 8.147 0.907 7.297 453 HB2 CYS 68 1HB CYS 68 8.212 1.809 4.441 454 HB3 CYS 68 2HB CYS 68 8.907 0.355 5.157 455 H ALA 69 H ALA 69 7.633 4.238 6.581 456 HA ALA 69 HA ALA 69 10.363 4.961 6.333 457 HB1 ALA 69 3HB ALA 69 7.983 6.598 7.226 458 HB2 ALA 69 1HB ALA 69 8.536 6.411 5.561 459 HB3 ALA 69 2HB ALA 69 9.555 7.235 6.740 460 H LYS 70 H LYS 70 8.116 4.473 8.963 461 HA LYS 70 HA LYS 70 9.843 5.500 11.005 462 HB2 LYS 70 1HB LYS 70 7.459 3.652 11.220 463 HB3 LYS 70 2HB LYS 70 8.253 4.450 12.569 464 HG2 LYS 70 1HG LYS 70 7.637 6.631 11.596 465 HG3 LYS 70 2HG LYS 70 6.765 5.781 10.319 466 HD2 LYS 70 1HD LYS 70 5.331 4.731 12.008 467 HD3 LYS 70 2HD LYS 70 6.203 5.595 13.277 468 HE2 LYS 70 1HE LYS 70 5.523 7.731 12.207 469 HE3 LYS 70 2HE LYS 70 4.550 6.804 11.065 470 HZ1 LYS 70 3HZ LYS 70 3.213 7.628 12.888 471 HZ2 LYS 70 1HZ LYS 70 4.196 6.839 14.011 472 HZ3 LYS 70 2HZ LYS 70 3.264 5.947 12.923 473 H ASP 71 H ASP 71 9.069 2.263 9.698 474 HA ASP 71 HA ASP 71 11.468 1.230 10.985 475 HB2 ASP 71 1HB ASP 71 8.673 0.096 11.047 476 HB3 ASP 71 2HB ASP 71 10.058 -0.984 11.089 477 HA PRO 72 HA PRO 72 11.828 0.646 6.514 478 HB2 PRO 72 1HB PRO 72 14.371 -0.360 6.571 479 HB3 PRO 72 2HB PRO 72 13.990 1.364 6.633 480 HG2 PRO 72 1HG PRO 72 14.648 -0.510 8.870 481 HG3 PRO 72 2HG PRO 72 15.200 1.155 8.606 482 HD2 PRO 72 1HD PRO 72 13.246 0.557 10.354 483 HD3 PRO 72 2HD PRO 72 13.230 2.064 9.410 484 H GLN 73 H GLN 73 12.041 -1.728 8.942 485 HA GLN 73 HA GLN 73 12.314 -3.969 7.120 486 HB2 GLN 73 1HB GLN 73 11.700 -3.969 10.067 487 HB3 GLN 73 2HB GLN 73 12.189 -5.357 9.103 488 HG2 GLN 73 1HG GLN 73 14.335 -4.493 8.755 489 HG3 GLN 73 2HG GLN 73 13.868 -2.900 9.346 490 HE21 GLN 73 2HE2 GLN 73 15.302 -2.749 10.870 491 HE22 GLN 73 1HE2 GLN 73 15.373 -3.734 12.297 492 H MET 74 H MET 74 9.846 -1.998 7.781 493 HA MET 74 HA MET 74 7.733 -3.963 8.020 494 HB2 MET 74 1HB MET 74 7.603 -0.997 7.447 495 HB3 MET 74 2HB MET 74 6.201 -2.024 7.692 496 HG2 MET 74 1HG MET 74 8.362 -1.539 9.725 497 HG3 MET 74 2HG MET 74 6.811 -0.708 9.680 498 HE1 MET 74 3HE MET 74 4.762 -3.014 8.913 499 HE2 MET 74 1HE MET 74 4.509 -1.829 10.195 500 HE3 MET 74 2HE MET 74 4.287 -3.546 10.526 501 H LEU 75 H LEU 75 7.159 -5.162 6.381 502 HA LEU 75 HA LEU 75 7.881 -4.606 3.659 503 HB2 LEU 75 1HB LEU 75 5.956 -6.669 4.707 504 HB3 LEU 75 2HB LEU 75 6.809 -6.696 3.176 505 HG LEU 75 HG LEU 75 8.147 -6.900 5.873 506 HD11 LEU 75 1HD1 LEU 75 8.442 -9.263 5.350 507 HD12 LEU 75 2HD1 LEU 75 7.473 -9.060 3.890 508 HD13 LEU 75 3HD1 LEU 75 6.735 -8.834 5.475 509 HD21 LEU 75 3HD2 LEU 75 9.607 -5.989 4.163 510 HD22 LEU 75 1HD2 LEU 75 9.189 -7.310 3.071 511 HD23 LEU 75 2HD2 LEU 75 10.086 -7.640 4.551 512 H LEU 76 H LEU 76 6.423 -4.416 1.886 513 HA LEU 76 HA LEU 76 4.431 -2.454 2.241 514 HB2 LEU 76 1HB LEU 76 5.584 -2.746 0.115 515 HB3 LEU 76 2HB LEU 76 4.891 -4.349 -0.068 516 HG LEU 76 HG LEU 76 2.632 -3.313 -0.210 517 HD11 LEU 76 1HD1 LEU 76 3.084 -1.258 1.002 518 HD12 LEU 76 2HD1 LEU 76 2.453 -0.914 -0.608 519 HD13 LEU 76 3HD1 LEU 76 4.175 -0.728 -0.279 520 HD21 LEU 76 3HD2 LEU 76 2.906 -2.434 -2.476 521 HD22 LEU 76 1HD2 LEU 76 3.850 -3.902 -2.231 522 HD23 LEU 76 2HD2 LEU 76 4.647 -2.329 -2.224 523 H ILE 77 H ILE 77 4.306 -5.940 1.955 524 HA ILE 77 HA ILE 77 1.557 -6.292 1.746 525 HB ILE 77 HB ILE 77 3.264 -8.087 1.447 526 HG12 ILE 77 1HG1 ILE 77 1.940 -9.883 2.771 527 HG13 ILE 77 2HG1 ILE 77 0.906 -8.536 3.243 528 HG21 ILE 77 1HG2 ILE 77 4.693 -7.662 3.330 529 HG22 ILE 77 2HG2 ILE 77 4.103 -9.322 3.386 530 HG23 ILE 77 3HG2 ILE 77 3.405 -8.099 4.450 531 HD11 ILE 77 3HD1 ILE 77 -0.008 -9.689 1.321 532 HD12 ILE 77 1HD1 ILE 77 1.493 -9.427 0.431 533 HD13 ILE 77 2HD1 ILE 77 0.482 -8.054 0.874 534 H THR 78 H THR 78 3.609 -5.961 4.651 535 HA THR 78 HA THR 78 1.528 -6.225 6.531 536 HB THR 78 HB THR 78 3.983 -4.590 7.066 537 HG1 THR 78 HG1 THR 78 3.974 -7.441 6.959 538 HG21 THR 78 3HG2 THR 78 2.515 -6.721 8.633 539 HG22 THR 78 1HG2 THR 78 2.352 -4.980 8.864 540 HG23 THR 78 2HG2 THR 78 3.888 -5.775 9.213 541 H ALA 79 H ALA 79 3.166 -3.427 5.094 542 HA ALA 79 HA ALA 79 1.961 -1.360 6.452 543 HB1 ALA 79 3HB ALA 79 2.467 0.052 4.540 544 HB2 ALA 79 1HB ALA 79 2.674 -1.375 3.524 545 HB3 ALA 79 2HB ALA 79 3.794 -1.068 4.851 546 H ILE 80 H ILE 80 0.767 -2.879 3.454 547 HA ILE 80 HA ILE 80 -1.575 -1.319 3.281 548 HB ILE 80 HB ILE 80 -1.107 -4.110 2.195 549 HG12 ILE 80 1HG1 ILE 80 -0.745 -1.411 0.869 550 HG13 ILE 80 2HG1 ILE 80 0.564 -2.443 1.432 551 HG21 ILE 80 1HG2 ILE 80 -3.477 -3.544 2.240 552 HG22 ILE 80 2HG2 ILE 80 -2.880 -3.542 0.579 553 HG23 ILE 80 3HG2 ILE 80 -3.145 -2.017 1.423 554 HD11 ILE 80 3HD1 ILE 80 -0.120 -4.151 -0.186 555 HD12 ILE 80 1HD1 ILE 80 0.286 -2.619 -0.961 556 HD13 ILE 80 2HD1 ILE 80 -1.403 -3.082 -0.751 557 H ASP 81 H ASP 81 -0.974 -4.499 4.713 558 HA ASP 81 HA ASP 81 -3.603 -5.118 5.453 559 HB2 ASP 81 1HB ASP 81 -1.733 -6.736 5.471 560 HB3 ASP 81 2HB ASP 81 -1.046 -5.909 6.865 561 H ASP 82 H ASP 82 -1.117 -3.325 7.167 562 HA ASP 82 HA ASP 82 -2.687 -3.052 9.550 563 HB2 ASP 82 1HB ASP 82 -0.240 -3.090 9.669 564 HB3 ASP 82 2HB ASP 82 -0.166 -1.593 8.742 565 H THR 83 H THR 83 -2.133 -1.079 6.696 566 HA THR 83 HA THR 83 -3.232 1.292 7.830 567 HB THR 83 HB THR 83 -2.828 0.553 4.915 568 HG1 THR 83 HG1 THR 83 -0.840 0.644 5.891 569 HG21 THR 83 3HG2 THR 83 -3.284 3.252 6.209 570 HG22 THR 83 1HG2 THR 83 -4.446 2.386 5.202 571 HG23 THR 83 2HG2 THR 83 -2.937 2.973 4.501 572 H MET 84 H MET 84 -4.465 -1.392 5.883 573 HA MET 84 HA MET 84 -7.042 -0.265 5.498 574 HB2 MET 84 1HB MET 84 -7.767 -2.555 4.894 575 HB3 MET 84 2HB MET 84 -6.329 -2.037 4.029 576 HG2 MET 84 1HG MET 84 -5.081 -3.667 4.892 577 HG3 MET 84 2HG MET 84 -5.781 -3.489 6.499 578 HE1 MET 84 3HE MET 84 -8.963 -5.614 6.366 579 HE2 MET 84 1HE MET 84 -8.838 -3.879 6.058 580 HE3 MET 84 2HE MET 84 -7.865 -4.618 7.328 581 H ARG 85 H ARG 85 -5.544 -1.693 8.198 582 HA ARG 85 HA ARG 85 -7.994 -2.426 9.548 583 HB2 ARG 85 1HB ARG 85 -5.174 -2.063 10.580 584 HB3 ARG 85 2HB ARG 85 -6.517 -2.648 11.547 585 HG2 ARG 85 1HG ARG 85 -6.700 -4.623 10.201 586 HG3 ARG 85 2HG ARG 85 -5.487 -4.011 9.072 587 HD2 ARG 85 1HD ARG 85 -4.492 -5.633 10.586 588 HD3 ARG 85 2HD ARG 85 -3.817 -4.033 10.867 589 HE ARG 85 HE ARG 85 -5.867 -5.290 12.568 590 HH11 ARG 85 1HH1 ARG 85 -3.042 -3.199 12.187 591 HH12 ARG 85 2HH1 ARG 85 -2.915 -2.874 13.873 592 HH21 ARG 85 1HH2 ARG 85 -5.665 -4.837 14.812 593 HH22 ARG 85 2HH2 ARG 85 -4.394 -3.805 15.367 594 H ALA 86 H ALA 86 -5.708 0.237 9.517 595 HA ALA 86 HA ALA 86 -6.862 1.715 11.630 596 HB1 ALA 86 3HB ALA 86 -4.547 2.033 10.898 597 HB2 ALA 86 1HB ALA 86 -5.453 3.545 10.865 598 HB3 ALA 86 2HB ALA 86 -5.124 2.681 9.364 599 H ILE 87 H ILE 87 -7.213 1.954 8.060 600 HA ILE 87 HA ILE 87 -9.261 3.999 8.493 601 HB ILE 87 HB ILE 87 -9.161 4.400 6.082 602 HG12 ILE 87 1HG1 ILE 87 -6.997 2.278 6.018 603 HG13 ILE 87 2HG1 ILE 87 -8.634 2.059 5.412 604 HG21 ILE 87 1HG2 ILE 87 -7.639 5.628 7.523 605 HG22 ILE 87 2HG2 ILE 87 -6.883 5.300 5.963 606 HG23 ILE 87 3HG2 ILE 87 -6.439 4.343 7.376 607 HD11 ILE 87 3HD1 ILE 87 -8.250 3.805 3.750 608 HD12 ILE 87 1HD1 ILE 87 -7.065 2.505 3.612 609 HD13 ILE 87 2HD1 ILE 87 -6.614 4.034 4.368 610 H GLY 88 H GLY 88 -9.193 0.754 8.408 611 HA2 GLY 88 1HA GLY 88 -11.393 0.288 6.581 612 HA3 GLY 88 2HA GLY 88 -10.579 -0.916 7.570 613 H LYS 89 H LYS 89 -11.374 1.671 9.465 614 HA LYS 89 HA LYS 89 -13.953 0.482 10.211 615 HB2 LYS 89 1HB LYS 89 -11.881 1.739 12.022 616 HB3 LYS 89 2HB LYS 89 -13.469 1.182 12.527 617 HG2 LYS 89 1HG LYS 89 -12.879 -1.101 12.030 618 HG3 LYS 89 2HG LYS 89 -11.328 -0.588 11.359 619 HD2 LYS 89 1HD LYS 89 -11.010 -1.426 13.612 620 HD3 LYS 89 2HD LYS 89 -10.703 0.311 13.571 621 HE2 LYS 89 1HE LYS 89 -13.074 0.637 14.355 622 HE3 LYS 89 2HE LYS 89 -13.151 -1.106 14.603 623 HZ1 LYS 89 3HZ LYS 89 -11.261 0.762 15.922 624 HZ2 LYS 89 1HZ LYS 89 -11.292 -0.917 16.142 625 HZ3 LYS 89 2HZ LYS 89 -12.601 0.029 16.635 626 H LYS 90 H LYS 90 -15.143 1.914 9.002 627 HA LYS 90 HA LYS 90 -16.247 3.813 8.460 628 HB2 LYS 90 1HB LYS 90 -15.368 4.530 11.251 629 HB3 LYS 90 2HB LYS 90 -16.328 5.626 10.269 630 HG2 LYS 90 1HG LYS 90 -18.096 3.960 10.123 631 HG3 LYS 90 2HG LYS 90 -17.126 2.839 11.080 632 HD2 LYS 90 1HD LYS 90 -17.276 4.201 13.004 633 HD3 LYS 90 2HD LYS 90 -17.890 5.570 12.075 634 HE2 LYS 90 1HE LYS 90 -19.337 2.957 12.471 635 HE3 LYS 90 2HE LYS 90 -19.644 4.430 13.392 636 HZ1 LYS 90 3HZ LYS 90 -21.229 4.241 11.625 637 HZ2 LYS 90 1HZ LYS 90 -20.010 4.076 10.465 638 HZ3 LYS 90 2HZ LYS 90 -20.199 5.536 11.287 Start of MODEL 5 1 H ASN 7 H ASN 7 4.795 -19.384 -5.499 2 HA ASN 7 HA ASN 7 5.326 -21.732 -3.955 3 HB2 ASN 7 1HB ASN 7 7.452 -20.631 -3.440 4 HB3 ASN 7 2HB ASN 7 7.098 -20.496 -5.159 5 HD21 ASN 7 2HD2 ASN 7 8.862 -18.840 -3.642 6 HD22 ASN 7 1HD2 ASN 7 8.230 -17.230 -3.752 7 H GLY 8 H GLY 8 3.781 -18.756 -3.353 8 HA2 GLY 8 1HA GLY 8 2.541 -18.364 -1.371 9 HA3 GLY 8 2HA GLY 8 3.670 -19.390 -0.494 10 H LEU 9 H LEU 9 5.271 -17.310 -2.599 11 HA LEU 9 HA LEU 9 5.510 -15.199 -0.594 12 HB2 LEU 9 1HB LEU 9 7.330 -16.771 -0.143 13 HB3 LEU 9 2HB LEU 9 7.856 -16.657 -1.810 14 HG LEU 9 HG LEU 9 8.339 -14.237 -1.437 15 HD11 LEU 9 1HD1 LEU 9 7.776 -14.931 1.440 16 HD12 LEU 9 2HD1 LEU 9 6.856 -13.815 0.429 17 HD13 LEU 9 3HD1 LEU 9 8.520 -13.436 0.873 18 HD21 LEU 9 3HD2 LEU 9 10.110 -15.895 -1.344 19 HD22 LEU 9 1HD2 LEU 9 9.769 -16.184 0.363 20 HD23 LEU 9 2HD2 LEU 9 10.388 -14.618 -0.161 21 HA PRO 10 HA PRO 10 5.103 -13.281 -4.714 22 HB2 PRO 10 1HB PRO 10 3.927 -11.069 -3.222 23 HB3 PRO 10 2HB PRO 10 3.186 -12.087 -4.458 24 HG2 PRO 10 1HG PRO 10 2.473 -12.183 -1.835 25 HG3 PRO 10 2HG PRO 10 2.366 -13.580 -2.921 26 HD2 PRO 10 1HD PRO 10 4.441 -12.924 -0.871 27 HD3 PRO 10 2HD PRO 10 3.710 -14.492 -1.283 28 H SER 11 H SER 11 6.516 -11.866 -5.623 29 HA SER 11 HA SER 11 8.676 -10.813 -4.159 30 HB2 SER 11 1HB SER 11 7.823 -9.708 -6.809 31 HB3 SER 11 2HB SER 11 9.451 -10.017 -6.211 32 HG SER 11 HG SER 11 8.950 -12.286 -6.304 33 H GLU 12 H GLU 12 5.529 -9.627 -4.839 34 HA GLU 12 HA GLU 12 5.942 -6.853 -4.645 35 HB2 GLU 12 1HB GLU 12 3.459 -8.419 -3.933 36 HB3 GLU 12 2HB GLU 12 3.540 -6.711 -4.338 37 HG2 GLU 12 1HG GLU 12 4.270 -7.280 -6.603 38 HG3 GLU 12 2HG GLU 12 4.189 -8.992 -6.194 39 H THR 13 H THR 13 5.503 -9.347 -2.230 40 HA THR 13 HA THR 13 5.320 -7.356 -0.108 41 HB THR 13 HB THR 13 3.877 -9.466 -0.082 42 HG1 THR 13 HG1 THR 13 5.574 -8.953 2.154 43 HG21 THR 13 3HG2 THR 13 6.489 -10.729 0.769 44 HG22 THR 13 1HG2 THR 13 5.611 -11.081 -0.719 45 HG23 THR 13 2HG2 THR 13 4.904 -11.497 0.843 46 H TYR 14 H TYR 14 7.715 -8.741 -1.829 47 HA TYR 14 HA TYR 14 9.548 -9.419 0.258 48 HB2 TYR 14 1HB TYR 14 9.822 -10.569 -1.813 49 HB3 TYR 14 2HB TYR 14 9.848 -9.065 -2.723 50 HD1 TYR 14 HD1 TYR 14 11.750 -11.055 -0.245 51 HD2 TYR 14 HD2 TYR 14 11.867 -7.968 -3.160 52 HE1 TYR 14 HE1 TYR 14 14.195 -11.010 -0.092 53 HE2 TYR 14 HE2 TYR 14 14.304 -7.908 -3.020 54 HH TYR 14 HH TYR 14 16.110 -10.337 -1.403 55 H ILE 15 H ILE 15 8.795 -6.567 -1.622 56 HA ILE 15 HA ILE 15 11.187 -5.186 -0.699 57 HB ILE 15 HB ILE 15 10.349 -3.291 -2.049 58 HG12 ILE 15 1HG1 ILE 15 8.193 -5.171 -2.991 59 HG13 ILE 15 2HG1 ILE 15 7.920 -3.977 -1.726 60 HG21 ILE 15 1HG2 ILE 15 10.669 -4.357 -4.241 61 HG22 ILE 15 2HG2 ILE 15 10.453 -5.939 -3.496 62 HG23 ILE 15 3HG2 ILE 15 11.836 -4.938 -3.054 63 HD11 ILE 15 3HD1 ILE 15 8.481 -2.202 -3.275 64 HD12 ILE 15 1HD1 ILE 15 7.153 -3.186 -3.879 65 HD13 ILE 15 2HD1 ILE 15 8.775 -3.391 -4.548 66 H THR 16 H THR 16 10.727 -2.789 -0.035 67 HA THR 16 HA THR 16 8.771 -2.900 2.143 68 HB THR 16 HB THR 16 10.159 -1.040 3.143 69 HG1 THR 16 HG1 THR 16 12.482 -1.436 2.095 70 HG21 THR 16 3HG2 THR 16 10.324 -3.366 3.916 71 HG22 THR 16 1HG2 THR 16 11.883 -2.550 3.997 72 HG23 THR 16 2HG2 THR 16 11.551 -3.685 2.689 73 H CYS 17 H CYS 17 7.864 -0.785 2.774 74 HA CYS 17 HA CYS 17 6.508 0.416 0.618 75 HB2 CYS 17 1HB CYS 17 6.766 1.810 3.213 76 HB3 CYS 17 2HB CYS 17 5.339 1.525 2.233 77 H ALA 18 H ALA 18 9.305 1.391 2.531 78 HA ALA 18 HA ALA 18 9.589 4.003 1.568 79 HB1 ALA 18 3HB ALA 18 11.760 2.098 2.457 80 HB2 ALA 18 1HB ALA 18 10.809 3.137 3.520 81 HB3 ALA 18 2HB ALA 18 11.901 3.853 2.335 82 H GLU 19 H GLU 19 10.706 0.889 0.324 83 HA GLU 19 HA GLU 19 12.174 2.021 -1.819 84 HB2 GLU 19 1HB GLU 19 12.563 -0.248 -0.825 85 HB3 GLU 19 2HB GLU 19 11.094 -0.784 -1.626 86 HG2 GLU 19 1HG GLU 19 12.027 -0.442 -3.769 87 HG3 GLU 19 2HG GLU 19 13.402 0.437 -3.102 88 H ALA 20 H ALA 20 8.834 1.109 -1.345 89 HA ALA 20 HA ALA 20 8.056 0.991 -4.029 90 HB1 ALA 20 3HB ALA 20 6.432 1.880 -1.641 91 HB2 ALA 20 1HB ALA 20 6.630 0.215 -2.185 92 HB3 ALA 20 2HB ALA 20 5.786 1.379 -3.205 93 H ASN 21 H ASN 21 8.390 3.612 -1.738 94 HA ASN 21 HA ASN 21 7.398 5.656 -3.490 95 HB2 ASN 21 1HB ASN 21 7.413 5.994 -1.049 96 HB3 ASN 21 2HB ASN 21 9.171 5.895 -1.037 97 HD21 ASN 21 2HD2 ASN 21 10.373 7.658 -1.665 98 HD22 ASN 21 1HD2 ASN 21 9.671 9.206 -1.989 99 H GLU 22 H GLU 22 10.527 4.459 -2.551 100 HA GLU 22 HA GLU 22 12.249 6.059 -4.002 101 HB2 GLU 22 1HB GLU 22 12.921 4.322 -2.387 102 HB3 GLU 22 2HB GLU 22 12.462 3.085 -3.542 103 HG2 GLU 22 1HG GLU 22 14.189 3.930 -5.079 104 HG3 GLU 22 2HG GLU 22 14.682 5.083 -3.837 105 H MET 23 H MET 23 10.680 3.044 -5.111 106 HA MET 23 HA MET 23 11.757 3.238 -7.750 107 HB2 MET 23 1HB MET 23 10.311 1.334 -8.286 108 HB3 MET 23 2HB MET 23 11.178 1.065 -6.783 109 HG2 MET 23 1HG MET 23 9.082 1.872 -5.610 110 HG3 MET 23 2HG MET 23 8.281 1.722 -7.171 111 HE1 MET 23 3HE MET 23 8.638 -2.109 -7.894 112 HE2 MET 23 1HE MET 23 9.733 -0.827 -8.407 113 HE3 MET 23 2HE MET 23 7.988 -0.572 -8.466 114 H ALA 24 H ALA 24 8.783 4.220 -6.262 115 HA ALA 24 HA ALA 24 7.145 4.896 -8.328 116 HB1 ALA 24 3HB ALA 24 6.557 5.250 -5.979 117 HB2 ALA 24 1HB ALA 24 6.201 6.671 -6.961 118 HB3 ALA 24 2HB ALA 24 7.629 6.648 -5.925 119 H LYS 25 H LYS 25 10.144 6.489 -7.526 120 HA LYS 25 HA LYS 25 9.807 8.867 -9.006 121 HB2 LYS 25 1HB LYS 25 12.242 7.293 -8.196 122 HB3 LYS 25 2HB LYS 25 12.401 8.678 -9.259 123 HG2 LYS 25 1HG LYS 25 12.868 9.392 -7.037 124 HG3 LYS 25 2HG LYS 25 11.309 10.070 -7.500 125 HD2 LYS 25 1HD LYS 25 10.167 8.323 -6.253 126 HD3 LYS 25 2HD LYS 25 11.716 7.593 -5.831 127 HE2 LYS 25 1HE LYS 25 10.877 8.912 -3.978 128 HE3 LYS 25 2HE LYS 25 12.340 9.645 -4.633 129 HZ1 LYS 25 3HZ LYS 25 9.579 10.513 -5.287 130 HZ2 LYS 25 1HZ LYS 25 11.011 11.261 -5.782 131 HZ3 LYS 25 2HZ LYS 25 10.574 11.261 -4.148 132 H THR 26 H THR 26 10.468 5.632 -9.943 133 HA THR 26 HA THR 26 10.995 6.432 -12.723 134 HB THR 26 HB THR 26 11.307 3.659 -11.579 135 HG1 THR 26 HG1 THR 26 12.901 5.923 -11.274 136 HG21 THR 26 3HG2 THR 26 12.596 5.062 -13.929 137 HG22 THR 26 1HG2 THR 26 11.303 3.864 -14.027 138 HG23 THR 26 2HG2 THR 26 12.896 3.397 -13.432 139 H ASP 27 H ASP 27 8.970 4.412 -10.653 140 HA ASP 27 HA ASP 27 7.055 4.149 -12.867 141 HB2 ASP 27 1HB ASP 27 8.028 1.970 -11.041 142 HB3 ASP 27 2HB ASP 27 6.527 1.840 -11.952 143 H SER 28 H SER 28 6.172 6.033 -11.620 144 HA SER 28 HA SER 28 5.029 5.807 -9.101 145 HB2 SER 28 1HB SER 28 3.935 7.394 -11.435 146 HB3 SER 28 2HB SER 28 3.693 7.724 -9.720 147 HG SER 28 HG SER 28 6.289 7.647 -10.035 148 H ALA 29 H ALA 29 3.720 4.952 -12.295 149 HA ALA 29 HA ALA 29 1.101 4.359 -11.406 150 HB1 ALA 29 3HB ALA 29 2.553 3.320 -13.835 151 HB2 ALA 29 1HB ALA 29 1.615 4.810 -13.749 152 HB3 ALA 29 2HB ALA 29 0.813 3.249 -13.562 153 H GLN 30 H GLN 30 4.040 2.478 -11.511 154 HA GLN 30 HA GLN 30 2.885 -0.083 -11.284 155 HB2 GLN 30 1HB GLN 30 5.197 0.209 -11.969 156 HB3 GLN 30 2HB GLN 30 5.598 0.907 -10.407 157 HG2 GLN 30 1HG GLN 30 6.371 -1.386 -10.564 158 HG3 GLN 30 2HG GLN 30 5.130 -1.227 -9.324 159 HE21 GLN 30 2HE2 GLN 30 3.122 -2.176 -9.648 160 HE22 GLN 30 1HE2 GLN 30 2.852 -3.359 -10.881 161 H VAL 31 H VAL 31 3.824 2.305 -8.868 162 HA VAL 31 HA VAL 31 3.319 0.462 -6.710 163 HB VAL 31 HB VAL 31 3.875 2.262 -5.186 164 HG11 VAL 31 1HG1 VAL 31 6.166 2.711 -5.928 165 HG12 VAL 31 2HG1 VAL 31 5.741 2.147 -7.545 166 HG13 VAL 31 3HG1 VAL 31 5.700 1.029 -6.181 167 HG21 VAL 31 3HG2 VAL 31 2.793 4.119 -6.361 168 HG22 VAL 31 1HG2 VAL 31 4.024 4.043 -7.621 169 HG23 VAL 31 2HG2 VAL 31 4.472 4.500 -5.977 170 H ALA 32 H ALA 32 1.573 2.789 -8.512 171 HA ALA 32 HA ALA 32 -0.496 3.177 -6.564 172 HB1 ALA 32 3HB ALA 32 -0.441 3.798 -9.519 173 HB2 ALA 32 1HB ALA 32 -0.006 4.905 -8.218 174 HB3 ALA 32 2HB ALA 32 -1.670 4.343 -8.378 175 H GLU 33 H GLU 33 0.006 1.180 -9.426 176 HA GLU 33 HA GLU 33 -2.568 0.093 -9.589 177 HB2 GLU 33 1HB GLU 33 -0.882 0.034 -11.389 178 HB3 GLU 33 2HB GLU 33 0.061 -1.111 -10.451 179 HG2 GLU 33 1HG GLU 33 -1.138 -2.303 -12.131 180 HG3 GLU 33 2HG GLU 33 -1.840 -2.691 -10.561 181 H ILE 34 H ILE 34 0.347 -0.986 -7.896 182 HA ILE 34 HA ILE 34 -0.729 -3.494 -7.186 183 HB ILE 34 HB ILE 34 1.660 -3.293 -7.226 184 HG12 ILE 34 1HG1 ILE 34 0.703 -3.555 -4.387 185 HG13 ILE 34 2HG1 ILE 34 0.715 -4.835 -5.596 186 HG21 ILE 34 1HG2 ILE 34 1.427 -1.234 -5.042 187 HG22 ILE 34 2HG2 ILE 34 1.843 -0.912 -6.723 188 HG23 ILE 34 3HG2 ILE 34 2.927 -1.872 -5.716 189 HD11 ILE 34 3HD1 ILE 34 2.571 -5.005 -3.991 190 HD12 ILE 34 1HD1 ILE 34 3.160 -3.436 -4.534 191 HD13 ILE 34 2HD1 ILE 34 3.131 -4.802 -5.652 192 H VAL 35 H VAL 35 -0.384 -0.429 -5.362 193 HA VAL 35 HA VAL 35 -1.650 -1.473 -3.082 194 HB VAL 35 HB VAL 35 -1.820 0.772 -2.282 195 HG11 VAL 35 1HG1 VAL 35 0.789 0.312 -3.700 196 HG12 VAL 35 2HG1 VAL 35 0.343 -0.279 -2.100 197 HG13 VAL 35 3HG1 VAL 35 0.538 1.451 -2.378 198 HG21 VAL 35 3HG2 VAL 35 -2.568 1.906 -4.297 199 HG22 VAL 35 1HG2 VAL 35 -0.985 1.664 -5.035 200 HG23 VAL 35 2HG2 VAL 35 -1.152 2.715 -3.632 201 H ALA 36 H ALA 36 -2.904 -0.226 -6.056 202 HA ALA 36 HA ALA 36 -5.512 0.373 -5.087 203 HB1 ALA 36 3HB ALA 36 -4.616 -0.294 -7.891 204 HB2 ALA 36 1HB ALA 36 -4.670 1.319 -7.184 205 HB3 ALA 36 2HB ALA 36 -6.165 0.420 -7.442 206 H VAL 37 H VAL 37 -4.207 -2.361 -6.975 207 HA VAL 37 HA VAL 37 -6.445 -3.992 -6.881 208 HB VAL 37 HB VAL 37 -3.547 -4.880 -6.823 209 HG11 VAL 37 1HG1 VAL 37 -6.040 -6.391 -7.604 210 HG12 VAL 37 2HG1 VAL 37 -5.036 -6.695 -6.187 211 HG13 VAL 37 3HG1 VAL 37 -4.389 -6.975 -7.802 212 HG21 VAL 37 3HG2 VAL 37 -4.060 -3.419 -8.716 213 HG22 VAL 37 1HG2 VAL 37 -5.423 -4.451 -9.148 214 HG23 VAL 37 2HG2 VAL 37 -3.777 -5.075 -9.251 215 H MET 38 H MET 38 -3.557 -4.451 -4.692 216 HA MET 38 HA MET 38 -4.750 -6.061 -2.895 217 HB2 MET 38 1HB MET 38 -2.425 -4.302 -3.042 218 HB3 MET 38 2HB MET 38 -3.011 -4.555 -1.406 219 HG2 MET 38 1HG MET 38 -2.380 -6.777 -3.325 220 HG3 MET 38 2HG MET 38 -1.236 -6.128 -2.151 221 HE1 MET 38 3HE MET 38 -1.807 -5.972 0.439 222 HE2 MET 38 1HE MET 38 -3.074 -6.910 1.236 223 HE3 MET 38 2HE MET 38 -3.496 -5.507 0.257 224 H GLY 39 H GLY 39 -4.613 -2.513 -2.837 225 HA2 GLY 39 1HA GLY 39 -5.683 -2.106 -0.307 226 HA3 GLY 39 2HA GLY 39 -5.778 -0.968 -1.638 227 H ASN 40 H ASN 40 -7.423 -2.095 -3.402 228 HA ASN 40 HA ASN 40 -9.930 -1.600 -2.236 229 HB2 ASN 40 1HB ASN 40 -10.757 -1.624 -4.355 230 HB3 ASN 40 2HB ASN 40 -9.044 -1.589 -4.758 231 HD21 ASN 40 2HD2 ASN 40 -8.078 -3.380 -5.564 232 HD22 ASN 40 1HD2 ASN 40 -8.952 -4.731 -6.196 233 H ALA 41 H ALA 41 -8.339 -4.649 -3.018 234 HA ALA 41 HA ALA 41 -10.522 -6.299 -2.276 235 HB1 ALA 41 3HB ALA 41 -7.588 -7.003 -2.300 236 HB2 ALA 41 1HB ALA 41 -8.655 -7.055 -3.702 237 HB3 ALA 41 2HB ALA 41 -8.943 -8.131 -2.336 238 H SER 42 H SER 42 -7.688 -5.232 -0.575 239 HA SER 42 HA SER 42 -8.200 -6.621 1.840 240 HB2 SER 42 1HB SER 42 -6.603 -5.010 2.932 241 HB3 SER 42 2HB SER 42 -5.970 -5.833 1.510 242 HG SER 42 HG SER 42 -6.313 -3.985 0.313 243 H VAL 43 H VAL 43 -8.927 -3.193 1.030 244 HA VAL 43 HA VAL 43 -10.218 -2.609 3.438 245 HB VAL 43 HB VAL 43 -11.405 -0.789 2.251 246 HG11 VAL 43 1HG1 VAL 43 -8.479 -1.060 1.615 247 HG12 VAL 43 2HG1 VAL 43 -9.209 -0.320 3.043 248 HG13 VAL 43 3HG1 VAL 43 -9.403 0.433 1.464 249 HG21 VAL 43 3HG2 VAL 43 -10.129 -1.917 -0.230 250 HG22 VAL 43 1HG2 VAL 43 -11.009 -0.392 -0.128 251 HG23 VAL 43 2HG2 VAL 43 -11.851 -1.918 0.141 252 H ALA 44 H ALA 44 -11.578 -4.012 0.410 253 HA ALA 44 HA ALA 44 -14.216 -4.055 1.318 254 HB1 ALA 44 3HB ALA 44 -13.553 -4.214 -1.043 255 HB2 ALA 44 1HB ALA 44 -14.587 -5.563 -0.564 256 HB3 ALA 44 2HB ALA 44 -12.844 -5.794 -0.734 257 H SER 45 H SER 45 -11.508 -5.946 2.183 258 HA SER 45 HA SER 45 -12.968 -8.308 2.839 259 HB2 SER 45 1HB SER 45 -10.638 -8.497 2.186 260 HB3 SER 45 2HB SER 45 -10.148 -7.445 3.511 261 HG SER 45 HG SER 45 -11.379 -9.999 3.771 262 H ARG 46 H ARG 46 -11.694 -5.519 4.675 263 HA ARG 46 HA ARG 46 -12.677 -6.788 7.148 264 HB2 ARG 46 1HB ARG 46 -11.198 -4.171 6.871 265 HB3 ARG 46 2HB ARG 46 -11.493 -5.066 8.352 266 HG2 ARG 46 1HG ARG 46 -9.751 -5.968 6.071 267 HG3 ARG 46 2HG ARG 46 -9.190 -5.265 7.587 268 HD2 ARG 46 1HD ARG 46 -10.292 -7.167 8.778 269 HD3 ARG 46 2HD ARG 46 -10.618 -7.884 7.198 270 HE ARG 46 HE ARG 46 -7.866 -7.242 8.026 271 HH11 ARG 46 1HH1 ARG 46 -10.246 -9.607 6.954 272 HH12 ARG 46 2HH1 ARG 46 -9.067 -10.840 6.689 273 HH21 ARG 46 1HH2 ARG 46 -6.323 -8.881 7.683 274 HH22 ARG 46 2HH2 ARG 46 -6.830 -10.432 7.104 275 H ASP 47 H ASP 47 -13.398 -4.288 4.939 276 HA ASP 47 HA ASP 47 -15.479 -3.267 6.743 277 HB2 ASP 47 1HB ASP 47 -13.749 -1.673 5.965 278 HB3 ASP 47 2HB ASP 47 -14.287 -1.947 4.317 279 H LEU 48 H LEU 48 -14.901 -3.786 3.290 280 HA LEU 48 HA LEU 48 -16.148 -4.705 1.636 281 HB2 LEU 48 1HB LEU 48 -16.924 -6.373 3.275 282 HB3 LEU 48 2HB LEU 48 -18.224 -5.299 3.748 283 HG LEU 48 HG LEU 48 -19.194 -5.487 1.488 284 HD11 LEU 48 1HD1 LEU 48 -18.351 -7.209 -0.042 285 HD12 LEU 48 2HD1 LEU 48 -16.966 -7.456 1.020 286 HD13 LEU 48 3HD1 LEU 48 -17.188 -5.909 0.208 287 HD21 LEU 48 3HD2 LEU 48 -19.949 -6.978 3.249 288 HD22 LEU 48 1HD2 LEU 48 -18.663 -8.120 2.854 289 HD23 LEU 48 2HD2 LEU 48 -19.951 -7.804 1.691 290 H LYS 49 H LYS 49 -17.290 -2.167 3.596 291 HA LYS 49 HA LYS 49 -19.398 -1.402 1.753 292 HB2 LYS 49 1HB LYS 49 -18.269 0.013 4.175 293 HB3 LYS 49 2HB LYS 49 -19.677 0.538 3.264 294 HG2 LYS 49 1HG LYS 49 -20.930 -1.362 3.947 295 HG3 LYS 49 2HG LYS 49 -19.500 -2.134 4.632 296 HD2 LYS 49 1HD LYS 49 -20.626 0.479 5.626 297 HD3 LYS 49 2HD LYS 49 -21.058 -1.089 6.305 298 HE2 LYS 49 1HE LYS 49 -18.677 -1.491 6.820 299 HE3 LYS 49 2HE LYS 49 -18.286 0.106 6.187 300 HZ1 LYS 49 3HZ LYS 49 -19.718 1.062 7.907 301 HZ2 LYS 49 1HZ LYS 49 -18.446 0.170 8.574 302 HZ3 LYS 49 2HZ LYS 49 -20.003 -0.480 8.537 303 H ILE 50 H ILE 50 -16.110 -0.604 2.547 304 HA ILE 50 HA ILE 50 -15.775 1.745 1.092 305 HB ILE 50 HB ILE 50 -13.751 -0.484 1.593 306 HG12 ILE 50 1HG1 ILE 50 -14.211 2.145 3.033 307 HG13 ILE 50 2HG1 ILE 50 -14.732 0.570 3.618 308 HG21 ILE 50 1HG2 ILE 50 -13.033 0.927 -0.271 309 HG22 ILE 50 2HG2 ILE 50 -12.045 1.248 1.155 310 HG23 ILE 50 3HG2 ILE 50 -13.319 2.375 0.692 311 HD11 ILE 50 3HD1 ILE 50 -11.870 1.362 3.125 312 HD12 ILE 50 1HD1 ILE 50 -12.442 -0.148 3.833 313 HD13 ILE 50 2HD1 ILE 50 -12.673 1.372 4.696 314 H GLU 51 H GLU 51 -15.236 2.188 -0.999 315 HA GLU 51 HA GLU 51 -15.793 0.026 -2.929 316 HB2 GLU 51 1HB GLU 51 -16.613 1.725 -4.464 317 HB3 GLU 51 2HB GLU 51 -17.479 1.798 -2.937 318 HG2 GLU 51 1HG GLU 51 -16.183 3.719 -2.254 319 HG3 GLU 51 2HG GLU 51 -15.216 3.615 -3.727 320 H GLN 52 H GLN 52 -14.859 0.518 -5.166 321 HA GLN 52 HA GLN 52 -12.009 0.827 -4.863 322 HB2 GLN 52 1HB GLN 52 -13.664 0.308 -7.336 323 HB3 GLN 52 2HB GLN 52 -11.913 0.221 -7.244 324 HG2 GLN 52 1HG GLN 52 -12.139 -1.608 -5.599 325 HG3 GLN 52 2HG GLN 52 -13.883 -1.554 -5.829 326 HE21 GLN 52 2HE2 GLN 52 -13.931 -3.654 -6.585 327 HE22 GLN 52 1HE2 GLN 52 -13.358 -4.085 -8.154 328 H SER 53 H SER 53 -11.559 2.962 -4.470 329 HA SER 53 HA SER 53 -12.184 4.799 -6.671 330 HB2 SER 53 1HB SER 53 -13.442 5.473 -4.710 331 HB3 SER 53 2HB SER 53 -11.998 5.383 -3.704 332 HG SER 53 HG SER 53 -12.892 7.473 -5.014 333 HA PRO 54 HA PRO 54 -7.742 5.209 -7.116 334 HB2 PRO 54 1HB PRO 54 -8.371 7.950 -8.058 335 HB3 PRO 54 2HB PRO 54 -7.502 6.656 -8.888 336 HG2 PRO 54 1HG PRO 54 -9.976 7.337 -9.623 337 HG3 PRO 54 2HG PRO 54 -9.447 5.644 -9.633 338 HD2 PRO 54 1HD PRO 54 -11.163 7.084 -7.650 339 HD3 PRO 54 2HD PRO 54 -11.318 5.434 -8.296 340 H GLU 55 H GLU 55 -9.785 7.575 -5.566 341 HA GLU 55 HA GLU 55 -7.773 9.145 -4.344 342 HB2 GLU 55 1HB GLU 55 -10.581 8.636 -3.351 343 HB3 GLU 55 2HB GLU 55 -9.546 9.990 -2.923 344 HG2 GLU 55 1HG GLU 55 -10.777 9.422 -5.610 345 HG3 GLU 55 2HG GLU 55 -11.188 10.728 -4.499 346 H LEU 56 H LEU 56 -9.433 6.205 -3.475 347 HA LEU 56 HA LEU 56 -8.516 5.971 -0.815 348 HB2 LEU 56 1HB LEU 56 -10.374 4.650 -1.675 349 HB3 LEU 56 2HB LEU 56 -9.315 3.874 -2.838 350 HG LEU 56 HG LEU 56 -8.047 2.915 -0.877 351 HD11 LEU 56 1HD1 LEU 56 -9.210 2.804 1.259 352 HD12 LEU 56 2HD1 LEU 56 -10.470 3.868 0.635 353 HD13 LEU 56 3HD1 LEU 56 -8.823 4.469 0.825 354 HD21 LEU 56 3HD2 LEU 56 -9.663 1.133 -0.520 355 HD22 LEU 56 1HD2 LEU 56 -9.613 1.609 -2.216 356 HD23 LEU 56 2HD2 LEU 56 -10.943 2.143 -1.188 357 H SER 57 H SER 57 -7.315 4.840 -3.911 358 HA SER 57 HA SER 57 -5.108 3.356 -3.015 359 HB2 SER 57 1HB SER 57 -6.021 3.255 -5.326 360 HB3 SER 57 2HB SER 57 -5.414 4.882 -5.620 361 HG SER 57 HG SER 57 -3.385 4.147 -5.635 362 H ALA 58 H ALA 58 -5.232 6.620 -4.327 363 HA ALA 58 HA ALA 58 -2.756 7.603 -3.863 364 HB1 ALA 58 3HB ALA 58 -4.569 8.917 -4.853 365 HB2 ALA 58 1HB ALA 58 -3.704 9.826 -3.614 366 HB3 ALA 58 2HB ALA 58 -5.284 9.128 -3.256 367 H LYS 59 H LYS 59 -5.258 7.283 -1.347 368 HA LYS 59 HA LYS 59 -3.582 8.491 0.649 369 HB2 LYS 59 1HB LYS 59 -6.209 7.036 0.881 370 HB3 LYS 59 2HB LYS 59 -5.366 7.758 2.245 371 HG2 LYS 59 1HG LYS 59 -5.497 9.956 1.081 372 HG3 LYS 59 2HG LYS 59 -6.485 9.184 -0.160 373 HD2 LYS 59 1HD LYS 59 -7.917 10.299 1.445 374 HD3 LYS 59 2HD LYS 59 -8.125 8.553 1.583 375 HE2 LYS 59 1HE LYS 59 -6.682 8.506 3.539 376 HE3 LYS 59 2HE LYS 59 -6.355 10.230 3.370 377 HZ1 LYS 59 3HZ LYS 59 -9.017 9.038 3.911 378 HZ2 LYS 59 1HZ LYS 59 -8.668 10.685 3.805 379 HZ3 LYS 59 2HZ LYS 59 -8.025 9.763 5.070 380 H VAL 60 H VAL 60 -4.562 5.165 -0.077 381 HA VAL 60 HA VAL 60 -3.330 4.032 2.192 382 HB VAL 60 HB VAL 60 -3.501 1.847 1.204 383 HG11 VAL 60 1HG1 VAL 60 -5.888 3.532 0.490 384 HG12 VAL 60 2HG1 VAL 60 -5.538 2.822 2.065 385 HG13 VAL 60 3HG1 VAL 60 -5.884 1.780 0.685 386 HG21 VAL 60 3HG2 VAL 60 -4.048 3.275 -1.389 387 HG22 VAL 60 1HG2 VAL 60 -4.290 1.545 -1.128 388 HG23 VAL 60 2HG2 VAL 60 -2.675 2.238 -1.005 389 H VAL 61 H VAL 61 -1.875 5.174 -0.694 390 HA VAL 61 HA VAL 61 0.583 3.676 -0.130 391 HB VAL 61 HB VAL 61 -0.107 3.930 -2.514 392 HG11 VAL 61 1HG1 VAL 61 -1.060 6.152 -2.441 393 HG12 VAL 61 2HG1 VAL 61 0.213 6.068 -3.658 394 HG13 VAL 61 3HG1 VAL 61 0.527 6.842 -2.106 395 HG21 VAL 61 3HG2 VAL 61 2.220 3.463 -2.018 396 HG22 VAL 61 1HG2 VAL 61 2.546 5.181 -1.793 397 HG23 VAL 61 2HG2 VAL 61 2.123 4.567 -3.389 398 H GLU 62 H GLU 62 -0.818 6.752 0.204 399 HA GLU 62 HA GLU 62 1.480 8.306 0.817 400 HB2 GLU 62 1HB GLU 62 -1.434 8.614 1.404 401 HB3 GLU 62 2HB GLU 62 -0.285 9.644 2.246 402 HG2 GLU 62 1HG GLU 62 -0.562 9.405 -0.736 403 HG3 GLU 62 2HG GLU 62 -1.202 10.714 0.257 404 H LYS 63 H LYS 63 -0.938 6.918 3.018 405 HA LYS 63 HA LYS 63 0.544 7.372 5.367 406 HB2 LYS 63 1HB LYS 63 -1.596 5.316 4.806 407 HB3 LYS 63 2HB LYS 63 -0.979 5.707 6.405 408 HG2 LYS 63 1HG LYS 63 -1.781 8.001 6.145 409 HG3 LYS 63 2HG LYS 63 -2.421 7.592 4.552 410 HD2 LYS 63 1HD LYS 63 -3.906 5.943 5.574 411 HD3 LYS 63 2HD LYS 63 -3.248 6.329 7.165 412 HE2 LYS 63 1HE LYS 63 -4.727 8.232 5.348 413 HE3 LYS 63 2HE LYS 63 -5.390 7.444 6.778 414 HZ1 LYS 63 3HZ LYS 63 -3.145 9.391 6.743 415 HZ2 LYS 63 1HZ LYS 63 -3.732 8.605 8.121 416 HZ3 LYS 63 2HZ LYS 63 -4.719 9.684 7.282 417 H LEU 64 H LEU 64 0.457 4.691 3.089 418 HA LEU 64 HA LEU 64 1.734 2.685 4.384 419 HB2 LEU 64 1HB LEU 64 0.842 2.357 2.223 420 HB3 LEU 64 2HB LEU 64 1.784 3.662 1.549 421 HG LEU 64 HG LEU 64 3.392 1.413 2.552 422 HD11 LEU 64 1HD1 LEU 64 1.564 1.083 0.170 423 HD12 LEU 64 2HD1 LEU 64 1.437 0.200 1.690 424 HD13 LEU 64 3HD1 LEU 64 2.844 -0.029 0.652 425 HD21 LEU 64 3HD2 LEU 64 4.498 1.768 0.378 426 HD22 LEU 64 1HD2 LEU 64 4.345 3.273 1.284 427 HD23 LEU 64 2HD2 LEU 64 3.251 2.935 -0.056 428 H ASN 65 H ASN 65 3.392 5.096 2.342 429 HA ASN 65 HA ASN 65 5.971 4.392 2.999 430 HB2 ASN 65 1HB ASN 65 5.399 5.873 1.168 431 HB3 ASN 65 2HB ASN 65 4.961 7.149 2.300 432 HD21 ASN 65 2HD2 ASN 65 6.487 8.584 1.569 433 HD22 ASN 65 1HD2 ASN 65 8.182 8.370 1.810 434 H GLN 66 H GLN 66 3.819 6.555 4.695 435 HA GLN 66 HA GLN 66 5.754 7.689 6.440 436 HB2 GLN 66 1HB GLN 66 2.774 7.372 6.750 437 HB3 GLN 66 2HB GLN 66 3.789 8.331 7.822 438 HG2 GLN 66 1HG GLN 66 4.169 9.934 6.276 439 HG3 GLN 66 2HG GLN 66 3.933 8.836 4.919 440 HE21 GLN 66 2HE2 GLN 66 2.505 10.130 3.868 441 HE22 GLN 66 1HE2 GLN 66 0.894 10.415 4.408 442 H VAL 67 H VAL 67 3.411 5.103 6.949 443 HA VAL 67 HA VAL 67 4.154 4.360 9.519 444 HB VAL 67 HB VAL 67 3.323 2.401 7.370 445 HG11 VAL 67 1HG1 VAL 67 3.002 2.328 10.365 446 HG12 VAL 67 2HG1 VAL 67 4.120 1.352 9.414 447 HG13 VAL 67 3HG1 VAL 67 2.381 1.126 9.235 448 HG21 VAL 67 3HG2 VAL 67 1.015 2.816 8.099 449 HG22 VAL 67 1HG2 VAL 67 1.756 4.272 7.436 450 HG23 VAL 67 2HG2 VAL 67 1.590 4.085 9.181 451 H CYS 68 H CYS 68 5.461 3.211 6.466 452 HA CYS 68 HA CYS 68 7.418 1.510 7.783 453 HB2 CYS 68 1HB CYS 68 7.217 2.183 4.876 454 HB3 CYS 68 2HB CYS 68 8.044 0.803 5.591 455 H ALA 69 H ALA 69 7.273 4.743 7.028 456 HA ALA 69 HA ALA 69 10.060 5.151 6.363 457 HB1 ALA 69 3HB ALA 69 9.601 7.538 6.656 458 HB2 ALA 69 1HB ALA 69 8.021 7.159 7.342 459 HB3 ALA 69 2HB ALA 69 8.361 6.787 5.652 460 H LYS 70 H LYS 70 8.100 4.875 9.125 461 HA LYS 70 HA LYS 70 10.185 5.822 10.927 462 HB2 LYS 70 1HB LYS 70 7.507 4.609 11.601 463 HB3 LYS 70 2HB LYS 70 8.588 5.434 12.714 464 HG2 LYS 70 1HG LYS 70 8.283 7.508 11.403 465 HG3 LYS 70 2HG LYS 70 7.107 6.660 10.398 466 HD2 LYS 70 1HD LYS 70 6.910 7.225 13.356 467 HD3 LYS 70 2HD LYS 70 5.926 7.919 12.067 468 HE2 LYS 70 1HE LYS 70 5.980 5.029 12.932 469 HE3 LYS 70 2HE LYS 70 4.687 6.189 13.226 470 HZ1 LYS 70 3HZ LYS 70 4.384 6.364 10.824 471 HZ2 LYS 70 1HZ LYS 70 4.134 4.790 11.385 472 HZ3 LYS 70 2HZ LYS 70 5.567 5.183 10.579 473 H ASP 71 H ASP 71 9.013 2.840 9.555 474 HA ASP 71 HA ASP 71 10.946 1.369 11.145 475 HB2 ASP 71 1HB ASP 71 8.013 0.664 10.961 476 HB3 ASP 71 2HB ASP 71 9.251 -0.493 11.433 477 HA PRO 72 HA PRO 72 11.440 0.182 6.782 478 HB2 PRO 72 1HB PRO 72 13.914 -1.035 7.841 479 HB3 PRO 72 2HB PRO 72 13.715 0.156 6.553 480 HG2 PRO 72 1HG PRO 72 14.744 0.835 8.932 481 HG3 PRO 72 2HG PRO 72 13.701 1.942 8.021 482 HD2 PRO 72 1HD PRO 72 13.030 0.204 10.369 483 HD3 PRO 72 2HD PRO 72 12.547 1.882 10.028 484 H GLN 73 H GLN 73 11.263 -1.676 9.656 485 HA GLN 73 HA GLN 73 11.580 -4.283 8.633 486 HB2 GLN 73 1HB GLN 73 9.946 -3.347 10.991 487 HB3 GLN 73 2HB GLN 73 10.406 -5.008 10.667 488 HG2 GLN 73 1HG GLN 73 12.761 -4.398 10.918 489 HG3 GLN 73 2HG GLN 73 12.284 -2.737 11.264 490 HE21 GLN 73 2HE2 GLN 73 11.310 -2.258 13.228 491 HE22 GLN 73 1HE2 GLN 73 11.343 -3.350 14.565 492 H MET 74 H MET 74 9.137 -2.044 8.013 493 HA MET 74 HA MET 74 7.075 -4.081 7.762 494 HB2 MET 74 1HB MET 74 6.910 -1.083 7.501 495 HB3 MET 74 2HB MET 74 5.546 -2.187 7.361 496 HG2 MET 74 1HG MET 74 5.907 -2.933 9.655 497 HG3 MET 74 2HG MET 74 7.273 -1.830 9.798 498 HE1 MET 74 3HE MET 74 4.891 -1.914 11.861 499 HE2 MET 74 1HE MET 74 4.560 -0.196 12.091 500 HE3 MET 74 2HE MET 74 6.225 -0.770 11.994 501 H LEU 75 H LEU 75 6.351 -4.854 5.940 502 HA LEU 75 HA LEU 75 7.734 -4.197 3.463 503 HB2 LEU 75 1HB LEU 75 5.645 -6.305 4.008 504 HB3 LEU 75 2HB LEU 75 6.713 -6.212 2.621 505 HG LEU 75 HG LEU 75 7.673 -6.648 5.447 506 HD11 LEU 75 1HD1 LEU 75 6.269 -8.509 4.735 507 HD12 LEU 75 2HD1 LEU 75 7.966 -8.980 4.840 508 HD13 LEU 75 3HD1 LEU 75 7.231 -8.676 3.266 509 HD21 LEU 75 3HD2 LEU 75 9.749 -7.336 4.356 510 HD22 LEU 75 1HD2 LEU 75 9.335 -5.671 3.948 511 HD23 LEU 75 2HD2 LEU 75 9.051 -6.962 2.780 512 H LEU 76 H LEU 76 6.439 -4.101 1.460 513 HA LEU 76 HA LEU 76 4.750 -1.895 1.451 514 HB2 LEU 76 1HB LEU 76 6.058 -2.927 -0.472 515 HB3 LEU 76 2HB LEU 76 4.746 -4.078 -0.639 516 HG LEU 76 HG LEU 76 4.304 -1.096 -0.878 517 HD11 LEU 76 1HD1 LEU 76 4.920 -3.057 -3.081 518 HD12 LEU 76 2HD1 LEU 76 5.986 -1.772 -2.513 519 HD13 LEU 76 3HD1 LEU 76 4.454 -1.369 -3.291 520 HD21 LEU 76 3HD2 LEU 76 2.756 -3.475 -1.908 521 HD22 LEU 76 1HD2 LEU 76 2.328 -1.779 -2.132 522 HD23 LEU 76 2HD2 LEU 76 2.313 -2.486 -0.516 523 H ILE 77 H ILE 77 3.873 -5.334 1.214 524 HA ILE 77 HA ILE 77 1.090 -4.940 1.063 525 HB ILE 77 HB ILE 77 2.624 -7.344 2.075 526 HG12 ILE 77 1HG1 ILE 77 3.181 -6.784 -0.234 527 HG13 ILE 77 2HG1 ILE 77 2.222 -8.257 -0.182 528 HG21 ILE 77 1HG2 ILE 77 -0.263 -7.145 1.228 529 HG22 ILE 77 2HG2 ILE 77 0.323 -7.408 2.870 530 HG23 ILE 77 3HG2 ILE 77 0.589 -8.637 1.632 531 HD11 ILE 77 3HD1 ILE 77 0.238 -6.963 -0.821 532 HD12 ILE 77 1HD1 ILE 77 1.527 -6.851 -2.018 533 HD13 ILE 77 2HD1 ILE 77 1.231 -5.509 -0.915 534 H THR 78 H THR 78 3.258 -5.410 3.813 535 HA THR 78 HA THR 78 1.396 -5.718 5.853 536 HB THR 78 HB THR 78 3.969 -4.165 6.144 537 HG1 THR 78 HG1 THR 78 4.006 -6.939 6.462 538 HG21 THR 78 3HG2 THR 78 2.500 -6.083 7.964 539 HG22 THR 78 1HG2 THR 78 2.561 -4.330 8.139 540 HG23 THR 78 2HG2 THR 78 4.029 -5.288 8.336 541 H ALA 79 H ALA 79 2.979 -2.753 4.692 542 HA ALA 79 HA ALA 79 1.676 -0.897 6.263 543 HB1 ALA 79 3HB ALA 79 3.557 -0.362 4.822 544 HB2 ALA 79 1HB ALA 79 2.209 0.744 4.561 545 HB3 ALA 79 2HB ALA 79 2.527 -0.550 3.403 546 H ILE 80 H ILE 80 0.647 -2.055 3.033 547 HA ILE 80 HA ILE 80 -1.692 -0.562 2.804 548 HB ILE 80 HB ILE 80 -1.288 -3.415 1.866 549 HG12 ILE 80 1HG1 ILE 80 -0.802 -0.808 0.410 550 HG13 ILE 80 2HG1 ILE 80 0.448 -1.891 1.017 551 HG21 ILE 80 1HG2 ILE 80 -3.245 -1.308 0.947 552 HG22 ILE 80 2HG2 ILE 80 -3.634 -2.776 1.844 553 HG23 ILE 80 3HG2 ILE 80 -3.016 -2.887 0.196 554 HD11 ILE 80 3HD1 ILE 80 -1.570 -2.527 -1.125 555 HD12 ILE 80 1HD1 ILE 80 -0.348 -3.637 -0.505 556 HD13 ILE 80 2HD1 ILE 80 0.143 -2.181 -1.368 557 H ASP 81 H ASP 81 -1.200 -3.761 4.236 558 HA ASP 81 HA ASP 81 -3.824 -4.350 4.939 559 HB2 ASP 81 1HB ASP 81 -1.899 -5.937 5.026 560 HB3 ASP 81 2HB ASP 81 -1.335 -5.121 6.479 561 H ASP 82 H ASP 82 -1.317 -2.724 6.870 562 HA ASP 82 HA ASP 82 -3.044 -2.398 9.124 563 HB2 ASP 82 1HB ASP 82 -0.529 -2.524 9.220 564 HB3 ASP 82 2HB ASP 82 -0.497 -0.872 8.611 565 H THR 83 H THR 83 -2.369 -0.448 6.326 566 HA THR 83 HA THR 83 -3.392 1.987 7.420 567 HB THR 83 HB THR 83 -2.925 1.192 4.531 568 HG1 THR 83 HG1 THR 83 -0.969 1.236 5.557 569 HG21 THR 83 3HG2 THR 83 -2.919 3.626 4.112 570 HG22 THR 83 1HG2 THR 83 -3.382 3.901 5.790 571 HG23 THR 83 2HG2 THR 83 -4.484 3.062 4.698 572 H MET 84 H MET 84 -4.583 -0.577 5.306 573 HA MET 84 HA MET 84 -7.178 0.595 5.031 574 HB2 MET 84 1HB MET 84 -7.790 -1.380 3.841 575 HB3 MET 84 2HB MET 84 -6.134 -1.026 3.384 576 HG2 MET 84 1HG MET 84 -6.072 -3.287 3.686 577 HG3 MET 84 2HG MET 84 -5.547 -2.712 5.265 578 HE1 MET 84 3HE MET 84 -6.472 -5.648 4.990 579 HE2 MET 84 1HE MET 84 -7.571 -5.799 6.362 580 HE3 MET 84 2HE MET 84 -6.072 -4.885 6.531 581 H ARG 85 H ARG 85 -5.562 -1.409 7.312 582 HA ARG 85 HA ARG 85 -7.691 -2.544 8.716 583 HB2 ARG 85 1HB ARG 85 -5.376 -3.201 9.012 584 HB3 ARG 85 2HB ARG 85 -4.952 -1.593 9.554 585 HG2 ARG 85 1HG ARG 85 -6.378 -1.973 11.559 586 HG3 ARG 85 2HG ARG 85 -6.583 -3.648 11.020 587 HD2 ARG 85 1HD ARG 85 -4.125 -3.906 11.000 588 HD3 ARG 85 2HD ARG 85 -3.968 -2.269 11.630 589 HE ARG 85 HE ARG 85 -5.603 -3.933 13.281 590 HH11 ARG 85 1HH1 ARG 85 -2.294 -2.983 12.541 591 HH12 ARG 85 2HH1 ARG 85 -1.663 -3.565 14.045 592 HH21 ARG 85 1HH2 ARG 85 -4.736 -4.683 15.299 593 HH22 ARG 85 2HH2 ARG 85 -3.037 -4.526 15.602 594 H ALA 86 H ALA 86 -6.015 0.552 9.042 595 HA ALA 86 HA ALA 86 -7.413 1.475 11.303 596 HB1 ALA 86 3HB ALA 86 -5.243 2.371 10.542 597 HB2 ALA 86 1HB ALA 86 -6.447 3.631 10.812 598 HB3 ALA 86 2HB ALA 86 -6.061 3.119 9.170 599 H ILE 87 H ILE 87 -7.921 2.069 7.802 600 HA ILE 87 HA ILE 87 -10.282 3.657 8.428 601 HB ILE 87 HB ILE 87 -10.457 3.976 5.975 602 HG12 ILE 87 1HG1 ILE 87 -7.905 2.349 5.886 603 HG13 ILE 87 2HG1 ILE 87 -9.473 1.813 5.293 604 HG21 ILE 87 1HG2 ILE 87 -9.202 5.567 7.291 605 HG22 ILE 87 2HG2 ILE 87 -8.402 5.330 5.737 606 HG23 ILE 87 3HG2 ILE 87 -7.759 4.561 7.187 607 HD11 ILE 87 3HD1 ILE 87 -7.868 4.122 4.222 608 HD12 ILE 87 1HD1 ILE 87 -9.442 3.597 3.625 609 HD13 ILE 87 2HD1 ILE 87 -8.043 2.534 3.475 610 H GLY 88 H GLY 88 -9.611 0.467 8.083 611 HA2 GLY 88 1HA GLY 88 -12.137 -0.298 6.816 612 HA3 GLY 88 2HA GLY 88 -10.817 -1.361 7.247 613 H LYS 89 H LYS 89 -11.327 0.716 9.747 614 HA LYS 89 HA LYS 89 -12.575 -1.384 11.305 615 HB2 LYS 89 1HB LYS 89 -10.561 -0.352 12.175 616 HB3 LYS 89 2HB LYS 89 -11.303 1.238 12.087 617 HG2 LYS 89 1HG LYS 89 -12.965 0.518 13.761 618 HG3 LYS 89 2HG LYS 89 -12.127 -1.029 13.885 619 HD2 LYS 89 1HD LYS 89 -10.917 1.674 14.470 620 HD3 LYS 89 2HD LYS 89 -11.481 0.523 15.680 621 HE2 LYS 89 1HE LYS 89 -9.846 -1.126 14.761 622 HE3 LYS 89 2HE LYS 89 -9.225 0.152 13.718 623 HZ1 LYS 89 3HZ LYS 89 -7.910 -0.101 15.735 624 HZ2 LYS 89 1HZ LYS 89 -9.270 0.229 16.680 625 HZ3 LYS 89 2HZ LYS 89 -8.633 1.423 15.673 626 H LYS 90 H LYS 90 -14.705 -1.419 11.416 627 HA LYS 90 HA LYS 90 -16.865 -0.841 11.686 628 HB2 LYS 90 1HB LYS 90 -15.674 1.484 13.196 629 HB3 LYS 90 2HB LYS 90 -17.349 0.956 13.291 630 HG2 LYS 90 1HG LYS 90 -16.639 -1.185 14.200 631 HG3 LYS 90 2HG LYS 90 -14.953 -0.686 14.074 632 HD2 LYS 90 1HD LYS 90 -15.410 1.163 15.639 633 HD3 LYS 90 2HD LYS 90 -17.075 0.595 15.793 634 HE2 LYS 90 1HE LYS 90 -16.246 -1.560 16.631 635 HE3 LYS 90 2HE LYS 90 -14.594 -0.959 16.515 636 HZ1 LYS 90 3HZ LYS 90 -15.184 0.776 18.118 637 HZ2 LYS 90 1HZ LYS 90 -15.400 -0.773 18.759 638 HZ3 LYS 90 2HZ LYS 90 -16.735 0.125 18.254 Start of MODEL 6 1 H ASN 7 H ASN 7 -1.590 -17.500 -7.977 2 HA ASN 7 HA ASN 7 -3.907 -16.126 -8.898 3 HB2 ASN 7 1HB ASN 7 -4.191 -15.360 -6.687 4 HB3 ASN 7 2HB ASN 7 -3.364 -16.895 -6.481 5 HD21 ASN 7 2HD2 ASN 7 -1.226 -16.906 -5.739 6 HD22 ASN 7 1HD2 ASN 7 -0.487 -15.502 -5.046 7 H GLY 8 H GLY 8 -0.595 -15.420 -8.936 8 HA2 GLY 8 1HA GLY 8 0.262 -13.637 -10.276 9 HA3 GLY 8 2HA GLY 8 -1.173 -12.699 -9.884 10 H LEU 9 H LEU 9 1.488 -14.320 -8.143 11 HA LEU 9 HA LEU 9 1.614 -11.930 -6.438 12 HB2 LEU 9 1HB LEU 9 0.953 -14.035 -5.275 13 HB3 LEU 9 2HB LEU 9 2.509 -14.717 -5.709 14 HG LEU 9 HG LEU 9 3.577 -12.813 -4.433 15 HD11 LEU 9 1HD1 LEU 9 0.757 -12.446 -3.447 16 HD12 LEU 9 2HD1 LEU 9 1.702 -11.294 -4.391 17 HD13 LEU 9 3HD1 LEU 9 2.194 -11.700 -2.748 18 HD21 LEU 9 3HD2 LEU 9 3.434 -15.075 -3.524 19 HD22 LEU 9 1HD2 LEU 9 1.834 -14.716 -2.873 20 HD23 LEU 9 2HD2 LEU 9 3.249 -13.858 -2.263 21 HA PRO 10 HA PRO 10 5.690 -11.785 -8.413 22 HB2 PRO 10 1HB PRO 10 5.918 -9.117 -8.416 23 HB3 PRO 10 2HB PRO 10 4.896 -9.949 -9.595 24 HG2 PRO 10 1HG PRO 10 4.116 -8.509 -7.097 25 HG3 PRO 10 2HG PRO 10 3.324 -8.514 -8.682 26 HD2 PRO 10 1HD PRO 10 2.524 -10.046 -6.523 27 HD3 PRO 10 2HD PRO 10 2.158 -10.427 -8.219 28 H SER 11 H SER 11 7.760 -10.988 -7.591 29 HA SER 11 HA SER 11 8.050 -11.275 -4.792 30 HB2 SER 11 1HB SER 11 10.434 -10.493 -5.313 31 HB3 SER 11 2HB SER 11 9.878 -11.948 -6.144 32 HG SER 11 HG SER 11 10.435 -10.906 -7.878 33 H GLU 12 H GLU 12 7.259 -8.631 -6.744 34 HA GLU 12 HA GLU 12 8.397 -6.466 -5.355 35 HB2 GLU 12 1HB GLU 12 5.874 -6.529 -7.004 36 HB3 GLU 12 2HB GLU 12 6.833 -5.106 -6.615 37 HG2 GLU 12 1HG GLU 12 8.610 -5.798 -7.979 38 HG3 GLU 12 2HG GLU 12 7.977 -7.437 -8.109 39 H THR 13 H THR 13 5.823 -8.532 -4.452 40 HA THR 13 HA THR 13 4.446 -6.529 -2.868 41 HB THR 13 HB THR 13 3.040 -8.461 -2.122 42 HG1 THR 13 HG1 THR 13 4.630 -10.103 -2.436 43 HG21 THR 13 3HG2 THR 13 2.359 -7.123 -4.046 44 HG22 THR 13 1HG2 THR 13 1.947 -8.819 -4.303 45 HG23 THR 13 2HG2 THR 13 3.353 -8.119 -5.107 46 H TYR 14 H TYR 14 7.136 -8.505 -2.526 47 HA TYR 14 HA TYR 14 6.806 -8.983 0.307 48 HB2 TYR 14 1HB TYR 14 7.758 -10.796 -0.915 49 HB3 TYR 14 2HB TYR 14 8.920 -9.743 -1.710 50 HD1 TYR 14 HD1 TYR 14 8.059 -11.406 1.464 51 HD2 TYR 14 HD2 TYR 14 10.982 -9.165 -0.663 52 HE1 TYR 14 HE1 TYR 14 9.708 -11.904 3.211 53 HE2 TYR 14 HE2 TYR 14 12.632 -9.644 1.066 54 HH TYR 14 HH TYR 14 12.136 -12.022 3.468 55 H ILE 15 H ILE 15 7.939 -6.466 -1.628 56 HA ILE 15 HA ILE 15 10.256 -5.787 -0.062 57 HB ILE 15 HB ILE 15 9.812 -5.315 -2.598 58 HG12 ILE 15 1HG1 ILE 15 11.245 -3.244 -2.477 59 HG13 ILE 15 2HG1 ILE 15 11.055 -3.293 -0.730 60 HG21 ILE 15 1HG2 ILE 15 8.925 -3.078 -3.075 61 HG22 ILE 15 2HG2 ILE 15 8.489 -2.900 -1.375 62 HG23 ILE 15 3HG2 ILE 15 7.712 -4.140 -2.359 63 HD11 ILE 15 3HD1 ILE 15 13.166 -4.260 -1.449 64 HD12 ILE 15 1HD1 ILE 15 12.293 -5.454 -2.409 65 HD13 ILE 15 2HD1 ILE 15 12.144 -5.454 -0.652 66 H THR 16 H THR 16 10.298 -3.316 0.710 67 HA THR 16 HA THR 16 8.058 -3.100 2.552 68 HB THR 16 HB THR 16 9.405 -1.339 3.655 69 HG1 THR 16 HG1 THR 16 11.681 -1.993 2.175 70 HG21 THR 16 3HG2 THR 16 11.213 -2.797 4.478 71 HG22 THR 16 1HG2 THR 16 10.878 -3.933 3.170 72 HG23 THR 16 2HG2 THR 16 9.661 -3.625 4.415 73 H CYS 17 H CYS 17 6.992 -1.090 2.893 74 HA CYS 17 HA CYS 17 6.228 0.220 0.497 75 HB2 CYS 17 1HB CYS 17 5.294 1.804 2.513 76 HB3 CYS 17 2HB CYS 17 4.480 0.362 1.904 77 H ALA 18 H ALA 18 8.638 0.816 2.911 78 HA ALA 18 HA ALA 18 9.096 3.563 2.399 79 HB1 ALA 18 3HB ALA 18 11.239 3.202 3.522 80 HB2 ALA 18 1HB ALA 18 11.005 1.457 3.426 81 HB3 ALA 18 2HB ALA 18 9.925 2.441 4.416 82 H GLU 19 H GLU 19 10.566 0.576 1.181 83 HA GLU 19 HA GLU 19 12.295 1.891 -0.647 84 HB2 GLU 19 1HB GLU 19 11.353 -0.970 -0.488 85 HB3 GLU 19 2HB GLU 19 12.594 -0.399 -1.594 86 HG2 GLU 19 1HG GLU 19 14.016 0.222 0.239 87 HG3 GLU 19 2HG GLU 19 12.752 -0.174 1.401 88 H ALA 20 H ALA 20 8.981 0.814 -0.768 89 HA ALA 20 HA ALA 20 8.630 0.730 -3.534 90 HB1 ALA 20 3HB ALA 20 6.246 1.011 -3.065 91 HB2 ALA 20 1HB ALA 20 6.623 1.502 -1.413 92 HB3 ALA 20 2HB ALA 20 6.978 -0.141 -1.948 93 H ASN 21 H ASN 21 8.622 3.376 -1.220 94 HA ASN 21 HA ASN 21 7.689 5.430 -2.925 95 HB2 ASN 21 1HB ASN 21 7.795 5.775 -0.521 96 HB3 ASN 21 2HB ASN 21 9.537 5.539 -0.525 97 HD21 ASN 21 2HD2 ASN 21 10.020 7.520 0.330 98 HD22 ASN 21 1HD2 ASN 21 9.788 9.001 -0.528 99 H GLU 22 H GLU 22 10.950 4.467 -2.011 100 HA GLU 22 HA GLU 22 12.447 6.064 -3.679 101 HB2 GLU 22 1HB GLU 22 13.061 3.159 -3.138 102 HB3 GLU 22 2HB GLU 22 14.210 4.426 -3.544 103 HG2 GLU 22 1HG GLU 22 13.535 5.577 -1.421 104 HG3 GLU 22 2HG GLU 22 12.634 4.121 -1.008 105 H MET 23 H MET 23 10.898 2.974 -4.468 106 HA MET 23 HA MET 23 11.745 2.892 -7.171 107 HB2 MET 23 1HB MET 23 9.442 1.580 -5.735 108 HB3 MET 23 2HB MET 23 9.799 1.294 -7.429 109 HG2 MET 23 1HG MET 23 11.960 0.380 -6.849 110 HG3 MET 23 2HG MET 23 11.682 0.745 -5.147 111 HE1 MET 23 3HE MET 23 10.323 -1.268 -8.247 112 HE2 MET 23 1HE MET 23 8.858 -0.558 -7.574 113 HE3 MET 23 2HE MET 23 9.108 -2.299 -7.491 114 H ALA 24 H ALA 24 8.890 4.162 -5.566 115 HA ALA 24 HA ALA 24 7.209 4.735 -7.664 116 HB1 ALA 24 3HB ALA 24 6.185 6.435 -6.289 117 HB2 ALA 24 1HB ALA 24 7.627 6.527 -5.279 118 HB3 ALA 24 2HB ALA 24 6.650 5.062 -5.282 119 H LYS 25 H LYS 25 10.091 6.481 -6.760 120 HA LYS 25 HA LYS 25 9.735 8.824 -8.232 121 HB2 LYS 25 1HB LYS 25 12.300 7.311 -7.720 122 HB3 LYS 25 2HB LYS 25 12.195 8.987 -8.235 123 HG2 LYS 25 1HG LYS 25 11.147 9.611 -6.158 124 HG3 LYS 25 2HG LYS 25 11.078 7.923 -5.648 125 HD2 LYS 25 1HD LYS 25 13.534 7.825 -5.686 126 HD3 LYS 25 2HD LYS 25 13.585 9.522 -6.165 127 HE2 LYS 25 1HE LYS 25 12.355 8.490 -3.610 128 HE3 LYS 25 2HE LYS 25 13.979 9.159 -3.741 129 HZ1 LYS 25 3HZ LYS 25 12.400 10.804 -2.955 130 HZ2 LYS 25 1HZ LYS 25 11.460 10.612 -4.343 131 HZ3 LYS 25 2HZ LYS 25 13.016 11.254 -4.459 132 H THR 26 H THR 26 10.117 5.639 -9.355 133 HA THR 26 HA THR 26 10.507 6.613 -12.107 134 HB THR 26 HB THR 26 11.599 3.984 -11.080 135 HG1 THR 26 HG1 THR 26 12.990 5.302 -10.136 136 HG21 THR 26 3HG2 THR 26 12.912 4.044 -13.160 137 HG22 THR 26 1HG2 THR 26 12.136 5.564 -13.605 138 HG23 THR 26 2HG2 THR 26 11.182 4.084 -13.495 139 H ASP 27 H ASP 27 9.146 4.210 -9.937 140 HA ASP 27 HA ASP 27 7.343 3.251 -12.071 141 HB2 ASP 27 1HB ASP 27 8.348 1.714 -9.658 142 HB3 ASP 27 2HB ASP 27 7.292 1.091 -10.917 143 H SER 28 H SER 28 6.482 5.464 -10.792 144 HA SER 28 HA SER 28 5.290 5.159 -8.289 145 HB2 SER 28 1HB SER 28 3.859 7.139 -9.128 146 HB3 SER 28 2HB SER 28 5.604 7.361 -9.004 147 HG SER 28 HG SER 28 5.658 7.698 -11.062 148 H ALA 29 H ALA 29 3.973 4.618 -11.531 149 HA ALA 29 HA ALA 29 1.310 4.223 -10.643 150 HB1 ALA 29 3HB ALA 29 0.885 3.402 -12.889 151 HB2 ALA 29 1HB ALA 29 2.619 3.310 -13.197 152 HB3 ALA 29 2HB ALA 29 1.852 4.876 -12.935 153 H GLN 30 H GLN 30 4.061 2.104 -11.044 154 HA GLN 30 HA GLN 30 2.554 -0.320 -10.939 155 HB2 GLN 30 1HB GLN 30 5.491 0.107 -10.400 156 HB3 GLN 30 2HB GLN 30 4.708 -1.441 -10.673 157 HG2 GLN 30 1HG GLN 30 4.059 -0.626 -12.938 158 HG3 GLN 30 2HG GLN 30 5.055 0.798 -12.645 159 HE21 GLN 30 2HE2 GLN 30 6.500 0.361 -14.251 160 HE22 GLN 30 1HE2 GLN 30 7.612 -0.953 -14.198 161 H VAL 31 H VAL 31 4.128 1.688 -8.565 162 HA VAL 31 HA VAL 31 3.852 -0.329 -6.499 163 HB VAL 31 HB VAL 31 4.793 1.310 -4.938 164 HG11 VAL 31 1HG1 VAL 31 6.325 -0.056 -6.229 165 HG12 VAL 31 2HG1 VAL 31 7.010 1.548 -5.966 166 HG13 VAL 31 3HG1 VAL 31 6.319 1.130 -7.533 167 HG21 VAL 31 3HG2 VAL 31 3.799 3.340 -5.851 168 HG22 VAL 31 1HG2 VAL 31 4.813 3.203 -7.288 169 HG23 VAL 31 2HG2 VAL 31 5.549 3.502 -5.714 170 H ALA 32 H ALA 32 2.099 2.335 -7.736 171 HA ALA 32 HA ALA 32 0.418 2.655 -5.411 172 HB1 ALA 32 3HB ALA 32 0.887 4.573 -6.870 173 HB2 ALA 32 1HB ALA 32 -0.841 4.233 -6.787 174 HB3 ALA 32 2HB ALA 32 0.085 3.748 -8.206 175 H GLU 33 H GLU 33 0.430 0.880 -8.395 176 HA GLU 33 HA GLU 33 -2.344 0.182 -8.276 177 HB2 GLU 33 1HB GLU 33 -1.033 0.352 -10.396 178 HB3 GLU 33 2HB GLU 33 -0.162 -1.097 -9.920 179 HG2 GLU 33 1HG GLU 33 -2.162 -2.409 -10.023 180 HG3 GLU 33 2HG GLU 33 -3.144 -0.971 -10.294 181 H ILE 34 H ILE 34 0.718 -1.434 -7.433 182 HA ILE 34 HA ILE 34 -0.375 -3.966 -6.915 183 HB ILE 34 HB ILE 34 2.105 -2.643 -5.784 184 HG12 ILE 34 1HG1 ILE 34 1.760 -4.734 -7.948 185 HG13 ILE 34 2HG1 ILE 34 2.091 -3.028 -8.228 186 HG21 ILE 34 1HG2 ILE 34 1.265 -5.537 -5.593 187 HG22 ILE 34 2HG2 ILE 34 1.356 -4.391 -4.256 188 HG23 ILE 34 3HG2 ILE 34 2.827 -4.884 -5.094 189 HD11 ILE 34 3HD1 ILE 34 4.099 -4.372 -8.458 190 HD12 ILE 34 1HD1 ILE 34 3.904 -4.966 -6.809 191 HD13 ILE 34 2HD1 ILE 34 4.239 -3.259 -7.097 192 H VAL 35 H VAL 35 0.211 -1.185 -4.822 193 HA VAL 35 HA VAL 35 -0.734 -2.466 -2.471 194 HB VAL 35 HB VAL 35 -0.763 -0.264 -1.459 195 HG11 VAL 35 1HG1 VAL 35 1.646 -0.664 -3.210 196 HG12 VAL 35 2HG1 VAL 35 1.361 -1.418 -1.643 197 HG13 VAL 35 3HG1 VAL 35 1.585 0.329 -1.754 198 HG21 VAL 35 3HG2 VAL 35 -0.139 1.736 -2.747 199 HG22 VAL 35 1HG2 VAL 35 -1.684 1.058 -3.255 200 HG23 VAL 35 2HG2 VAL 35 -0.237 0.787 -4.227 201 H ALA 36 H ALA 36 -2.281 -0.899 -5.109 202 HA ALA 36 HA ALA 36 -4.736 -0.331 -3.747 203 HB1 ALA 36 3HB ALA 36 -4.172 -0.439 -6.704 204 HB2 ALA 36 1HB ALA 36 -3.994 0.985 -5.681 205 HB3 ALA 36 2HB ALA 36 -5.588 0.274 -5.934 206 H VAL 37 H VAL 37 -3.724 -2.712 -6.192 207 HA VAL 37 HA VAL 37 -6.093 -4.048 -6.568 208 HB VAL 37 HB VAL 37 -3.330 -5.288 -6.509 209 HG11 VAL 37 1HG1 VAL 37 -4.282 -7.030 -7.953 210 HG12 VAL 37 2HG1 VAL 37 -5.880 -6.306 -7.770 211 HG13 VAL 37 3HG1 VAL 37 -5.062 -7.003 -6.371 212 HG21 VAL 37 3HG2 VAL 37 -3.505 -3.433 -8.076 213 HG22 VAL 37 1HG2 VAL 37 -4.951 -4.152 -8.788 214 HG23 VAL 37 2HG2 VAL 37 -3.394 -4.965 -8.941 215 H MET 38 H MET 38 -3.554 -5.347 -4.336 216 HA MET 38 HA MET 38 -5.428 -7.073 -3.119 217 HB2 MET 38 1HB MET 38 -2.941 -7.456 -3.383 218 HB3 MET 38 2HB MET 38 -2.691 -6.281 -2.107 219 HG2 MET 38 1HG MET 38 -4.348 -8.764 -1.728 220 HG3 MET 38 2HG MET 38 -2.610 -8.732 -1.461 221 HE1 MET 38 3HE MET 38 -2.183 -5.825 -0.160 222 HE2 MET 38 1HE MET 38 -1.431 -7.304 0.437 223 HE3 MET 38 2HE MET 38 -2.291 -6.240 1.549 224 H GLY 39 H GLY 39 -4.003 -3.961 -2.252 225 HA2 GLY 39 1HA GLY 39 -4.764 -3.815 0.417 226 HA3 GLY 39 2HA GLY 39 -4.557 -2.430 -0.641 227 H ASN 40 H ASN 40 -6.546 -2.503 -2.374 228 HA ASN 40 HA ASN 40 -8.776 -1.716 -0.849 229 HB2 ASN 40 1HB ASN 40 -9.636 -0.908 -2.807 230 HB3 ASN 40 2HB ASN 40 -8.002 -1.222 -3.381 231 HD21 ASN 40 2HD2 ASN 40 -7.633 -2.897 -4.781 232 HD22 ASN 40 1HD2 ASN 40 -8.909 -3.727 -5.604 233 H ALA 41 H ALA 41 -8.005 -4.718 -2.501 234 HA ALA 41 HA ALA 41 -10.533 -5.941 -2.193 235 HB1 ALA 41 3HB ALA 41 -9.403 -8.016 -2.754 236 HB2 ALA 41 1HB ALA 41 -7.836 -7.251 -2.490 237 HB3 ALA 41 2HB ALA 41 -8.869 -6.712 -3.813 238 H SER 42 H SER 42 -7.838 -5.531 0.011 239 HA SER 42 HA SER 42 -8.785 -7.616 1.763 240 HB2 SER 42 1HB SER 42 -6.346 -7.186 1.487 241 HB3 SER 42 2HB SER 42 -6.574 -5.588 2.194 242 HG SER 42 HG SER 42 -6.477 -6.480 4.077 243 H VAL 43 H VAL 43 -8.715 -4.074 1.624 244 HA VAL 43 HA VAL 43 -9.870 -3.789 4.206 245 HB VAL 43 HB VAL 43 -8.586 -1.948 3.201 246 HG11 VAL 43 1HG1 VAL 43 -10.910 -1.637 1.318 247 HG12 VAL 43 2HG1 VAL 43 -9.293 -2.197 0.898 248 HG13 VAL 43 3HG1 VAL 43 -9.533 -0.540 1.458 249 HG21 VAL 43 3HG2 VAL 43 -11.453 -1.249 3.822 250 HG22 VAL 43 1HG2 VAL 43 -10.110 -0.106 3.803 251 HG23 VAL 43 2HG2 VAL 43 -10.135 -1.419 4.980 252 H ALA 44 H ALA 44 -11.297 -4.044 0.893 253 HA ALA 44 HA ALA 44 -13.893 -3.375 1.788 254 HB1 ALA 44 3HB ALA 44 -13.042 -3.053 -0.535 255 HB2 ALA 44 1HB ALA 44 -14.557 -3.955 -0.444 256 HB3 ALA 44 2HB ALA 44 -13.037 -4.804 -0.721 257 H SER 45 H SER 45 -12.011 -6.027 2.264 258 HA SER 45 HA SER 45 -14.187 -7.966 1.961 259 HB2 SER 45 1HB SER 45 -12.587 -9.724 2.477 260 HB3 SER 45 2HB SER 45 -11.902 -8.664 1.248 261 HG SER 45 HG SER 45 -10.498 -7.869 2.694 262 H ARG 46 H ARG 46 -13.029 -5.843 4.235 263 HA ARG 46 HA ARG 46 -14.180 -7.440 6.436 264 HB2 ARG 46 1HB ARG 46 -12.229 -5.159 6.766 265 HB3 ARG 46 2HB ARG 46 -12.720 -6.339 7.971 266 HG2 ARG 46 1HG ARG 46 -11.060 -6.902 5.517 267 HG3 ARG 46 2HG ARG 46 -10.464 -6.770 7.171 268 HD2 ARG 46 1HD ARG 46 -11.628 -8.729 7.834 269 HD3 ARG 46 2HD ARG 46 -12.545 -8.771 6.329 270 HE ARG 46 HE ARG 46 -9.639 -9.033 6.170 271 HH11 ARG 46 1HH1 ARG 46 -12.793 -10.545 6.010 272 HH12 ARG 46 2HH1 ARG 46 -12.227 -11.948 5.176 273 HH21 ARG 46 1HH2 ARG 46 -8.877 -10.874 5.059 274 HH22 ARG 46 2HH2 ARG 46 -9.976 -12.135 4.614 275 H ASP 47 H ASP 47 -14.284 -4.487 4.650 276 HA ASP 47 HA ASP 47 -16.243 -3.391 6.540 277 HB2 ASP 47 1HB ASP 47 -14.285 -1.989 6.235 278 HB3 ASP 47 2HB ASP 47 -14.530 -1.995 4.496 279 H LEU 48 H LEU 48 -15.576 -3.777 3.081 280 HA LEU 48 HA LEU 48 -16.909 -4.255 1.324 281 HB2 LEU 48 1HB LEU 48 -19.078 -4.377 3.398 282 HB3 LEU 48 2HB LEU 48 -19.395 -4.608 1.690 283 HG LEU 48 HG LEU 48 -17.476 -6.314 3.277 284 HD11 LEU 48 1HD1 LEU 48 -20.354 -6.811 2.551 285 HD12 LEU 48 2HD1 LEU 48 -19.707 -6.574 4.174 286 HD13 LEU 48 3HD1 LEU 48 -19.254 -8.001 3.241 287 HD21 LEU 48 3HD2 LEU 48 -17.715 -7.841 1.373 288 HD22 LEU 48 1HD2 LEU 48 -17.052 -6.285 0.878 289 HD23 LEU 48 2HD2 LEU 48 -18.744 -6.663 0.560 290 H LYS 49 H LYS 49 -17.158 -1.387 3.076 291 HA LYS 49 HA LYS 49 -19.049 -0.191 1.210 292 HB2 LYS 49 1HB LYS 49 -17.479 1.062 3.461 293 HB3 LYS 49 2HB LYS 49 -18.695 1.888 2.496 294 HG2 LYS 49 1HG LYS 49 -20.403 0.361 3.323 295 HG3 LYS 49 2HG LYS 49 -19.186 -0.497 4.269 296 HD2 LYS 49 1HD LYS 49 -20.000 2.391 4.604 297 HD3 LYS 49 2HD LYS 49 -20.419 1.057 5.678 298 HE2 LYS 49 1HE LYS 49 -17.989 0.706 6.093 299 HE3 LYS 49 2HE LYS 49 -17.660 2.138 5.126 300 HZ1 LYS 49 3HZ LYS 49 -17.683 2.651 7.469 301 HZ2 LYS 49 1HZ LYS 49 -19.259 2.076 7.617 302 HZ3 LYS 49 2HZ LYS 49 -18.947 3.452 6.690 303 H ILE 50 H ILE 50 -16.016 -1.079 0.896 304 HA ILE 50 HA ILE 50 -15.051 1.303 -0.459 305 HB ILE 50 HB ILE 50 -13.764 -1.380 0.121 306 HG12 ILE 50 1HG1 ILE 50 -12.020 0.171 1.170 307 HG13 ILE 50 2HG1 ILE 50 -13.196 1.461 0.966 308 HG21 ILE 50 1HG2 ILE 50 -12.609 0.833 -1.582 309 HG22 ILE 50 2HG2 ILE 50 -13.110 -0.760 -2.149 310 HG23 ILE 50 3HG2 ILE 50 -11.746 -0.607 -1.041 311 HD11 ILE 50 3HD1 ILE 50 -13.578 -1.041 2.593 312 HD12 ILE 50 1HD1 ILE 50 -14.764 0.249 2.392 313 HD13 ILE 50 2HD1 ILE 50 -13.239 0.573 3.218 314 H GLU 51 H GLU 51 -15.582 1.649 -2.438 315 HA GLU 51 HA GLU 51 -15.753 -0.504 -4.380 316 HB2 GLU 51 1HB GLU 51 -18.049 -0.047 -5.086 317 HB3 GLU 51 2HB GLU 51 -17.979 -0.578 -3.413 318 HG2 GLU 51 1HG GLU 51 -18.162 1.792 -2.707 319 HG3 GLU 51 2HG GLU 51 -18.372 2.238 -4.399 320 H GLN 52 H GLN 52 -14.843 0.112 -6.159 321 HA GLN 52 HA GLN 52 -14.171 1.282 -7.973 322 HB2 GLN 52 1HB GLN 52 -16.690 2.781 -7.333 323 HB3 GLN 52 2HB GLN 52 -15.716 3.123 -8.753 324 HG2 GLN 52 1HG GLN 52 -16.061 0.894 -9.584 325 HG3 GLN 52 2HG GLN 52 -16.919 0.445 -8.111 326 HE21 GLN 52 2HE2 GLN 52 -18.350 2.952 -7.906 327 HE22 GLN 52 1HE2 GLN 52 -19.568 2.915 -9.127 328 H SER 53 H SER 53 -13.725 2.529 -5.040 329 HA SER 53 HA SER 53 -13.078 5.235 -5.542 330 HB2 SER 53 1HB SER 53 -11.976 3.436 -3.387 331 HB3 SER 53 2HB SER 53 -12.031 5.200 -3.367 332 HG SER 53 HG SER 53 -14.475 4.565 -3.791 333 HA PRO 54 HA PRO 54 -9.116 4.327 -7.591 334 HB2 PRO 54 1HB PRO 54 -9.338 6.896 -8.874 335 HB3 PRO 54 2HB PRO 54 -9.511 5.302 -9.611 336 HG2 PRO 54 1HG PRO 54 -11.570 7.108 -9.330 337 HG3 PRO 54 2HG PRO 54 -11.793 5.355 -9.474 338 HD2 PRO 54 1HD PRO 54 -11.786 7.074 -7.027 339 HD3 PRO 54 2HD PRO 54 -12.851 5.712 -7.447 340 H GLU 55 H GLU 55 -10.270 6.804 -5.578 341 HA GLU 55 HA GLU 55 -7.757 8.258 -5.390 342 HB2 GLU 55 1HB GLU 55 -9.972 9.411 -5.242 343 HB3 GLU 55 2HB GLU 55 -10.270 8.557 -3.735 344 HG2 GLU 55 1HG GLU 55 -8.184 9.632 -2.838 345 HG3 GLU 55 2HG GLU 55 -8.170 10.629 -4.292 346 H LEU 56 H LEU 56 -9.388 5.657 -3.874 347 HA LEU 56 HA LEU 56 -8.325 5.773 -1.286 348 HB2 LEU 56 1HB LEU 56 -10.177 4.244 -2.326 349 HB3 LEU 56 2HB LEU 56 -8.845 3.175 -2.712 350 HG LEU 56 HG LEU 56 -10.088 2.548 -0.648 351 HD11 LEU 56 1HD1 LEU 56 -7.809 1.789 -0.936 352 HD12 LEU 56 2HD1 LEU 56 -8.138 2.143 0.759 353 HD13 LEU 56 3HD1 LEU 56 -7.204 3.279 -0.214 354 HD21 LEU 56 3HD2 LEU 56 -9.808 3.845 1.381 355 HD22 LEU 56 1HD2 LEU 56 -10.603 4.809 0.137 356 HD23 LEU 56 2HD2 LEU 56 -8.897 5.070 0.500 357 H SER 57 H SER 57 -7.088 4.450 -4.288 358 HA SER 57 HA SER 57 -4.855 3.088 -3.214 359 HB2 SER 57 1HB SER 57 -3.951 3.213 -5.555 360 HB3 SER 57 2HB SER 57 -5.587 2.562 -5.443 361 HG SER 57 HG SER 57 -6.340 4.253 -6.488 362 H ALA 58 H ALA 58 -4.968 6.188 -4.913 363 HA ALA 58 HA ALA 58 -2.444 7.135 -4.563 364 HB1 ALA 58 3HB ALA 58 -3.323 9.394 -4.699 365 HB2 ALA 58 1HB ALA 58 -4.931 8.815 -4.264 366 HB3 ALA 58 2HB ALA 58 -4.203 8.326 -5.794 367 H LYS 59 H LYS 59 -5.017 7.305 -2.127 368 HA LYS 59 HA LYS 59 -3.332 8.711 -0.267 369 HB2 LYS 59 1HB LYS 59 -6.043 7.446 0.135 370 HB3 LYS 59 2HB LYS 59 -5.230 8.506 1.283 371 HG2 LYS 59 1HG LYS 59 -5.287 10.324 -0.353 372 HG3 LYS 59 2HG LYS 59 -6.103 9.264 -1.500 373 HD2 LYS 59 1HD LYS 59 -7.173 10.089 1.201 374 HD3 LYS 59 2HD LYS 59 -7.663 10.773 -0.348 375 HE2 LYS 59 1HE LYS 59 -8.342 8.435 -1.027 376 HE3 LYS 59 2HE LYS 59 -8.088 7.965 0.653 377 HZ1 LYS 59 3HZ LYS 59 -10.389 8.481 0.341 378 HZ2 LYS 59 1HZ LYS 59 -10.016 9.981 -0.365 379 HZ3 LYS 59 2HZ LYS 59 -9.704 9.704 1.280 380 H VAL 60 H VAL 60 -4.530 5.411 -0.591 381 HA VAL 60 HA VAL 60 -3.566 4.396 1.835 382 HB VAL 60 HB VAL 60 -5.120 3.228 0.133 383 HG11 VAL 60 1HG1 VAL 60 -3.544 3.237 -1.746 384 HG12 VAL 60 2HG1 VAL 60 -4.109 1.613 -1.350 385 HG13 VAL 60 3HG1 VAL 60 -2.496 2.132 -0.857 386 HG21 VAL 60 3HG2 VAL 60 -4.525 2.252 2.272 387 HG22 VAL 60 1HG2 VAL 60 -3.012 1.645 1.598 388 HG23 VAL 60 2HG2 VAL 60 -4.554 1.009 1.021 389 H VAL 61 H VAL 61 -1.785 5.302 -0.928 390 HA VAL 61 HA VAL 61 0.562 3.803 0.036 391 HB VAL 61 HB VAL 61 0.009 3.585 -2.403 392 HG11 VAL 61 1HG1 VAL 61 -0.774 5.828 -2.851 393 HG12 VAL 61 2HG1 VAL 61 0.559 5.413 -3.928 394 HG13 VAL 61 3HG1 VAL 61 0.839 6.473 -2.547 395 HG21 VAL 61 3HG2 VAL 61 2.327 3.851 -3.199 396 HG22 VAL 61 1HG2 VAL 61 2.265 3.108 -1.602 397 HG23 VAL 61 2HG2 VAL 61 2.699 4.807 -1.767 398 H GLU 62 H GLU 62 -0.758 6.956 -0.378 399 HA GLU 62 HA GLU 62 1.535 8.557 -0.162 400 HB2 GLU 62 1HB GLU 62 -0.627 9.405 -0.915 401 HB3 GLU 62 2HB GLU 62 -1.314 9.113 0.674 402 HG2 GLU 62 1HG GLU 62 0.162 10.797 1.630 403 HG3 GLU 62 2HG GLU 62 0.876 11.074 0.041 404 H LYS 63 H LYS 63 -0.802 7.615 2.357 405 HA LYS 63 HA LYS 63 0.850 8.721 4.434 406 HB2 LYS 63 1HB LYS 63 -1.556 6.905 4.686 407 HB3 LYS 63 2HB LYS 63 -0.848 7.884 5.964 408 HG2 LYS 63 1HG LYS 63 -1.414 9.915 4.649 409 HG3 LYS 63 2HG LYS 63 -2.244 8.879 3.488 410 HD2 LYS 63 1HD LYS 63 -3.726 8.087 5.293 411 HD3 LYS 63 2HD LYS 63 -2.916 9.180 6.415 412 HE2 LYS 63 1HE LYS 63 -3.560 11.063 4.876 413 HE3 LYS 63 2HE LYS 63 -4.553 9.903 3.996 414 HZ1 LYS 63 3HZ LYS 63 -4.855 10.714 6.832 415 HZ2 LYS 63 1HZ LYS 63 -5.746 9.476 6.104 416 HZ3 LYS 63 2HZ LYS 63 -5.905 11.063 5.561 417 H LEU 64 H LEU 64 0.339 5.652 2.975 418 HA LEU 64 HA LEU 64 1.348 3.880 4.862 419 HB2 LEU 64 1HB LEU 64 0.241 3.132 2.872 420 HB3 LEU 64 2HB LEU 64 1.506 3.804 1.861 421 HG LEU 64 HG LEU 64 3.079 2.137 2.852 422 HD11 LEU 64 1HD1 LEU 64 1.947 1.701 4.927 423 HD12 LEU 64 2HD1 LEU 64 2.085 0.207 3.997 424 HD13 LEU 64 3HD1 LEU 64 0.546 1.066 4.063 425 HD21 LEU 64 3HD2 LEU 64 2.040 1.752 0.687 426 HD22 LEU 64 1HD2 LEU 64 0.627 1.048 1.474 427 HD23 LEU 64 2HD2 LEU 64 2.190 0.237 1.578 428 H ASN 65 H ASN 65 3.185 5.277 2.115 429 HA ASN 65 HA ASN 65 5.642 4.226 2.954 430 HB2 ASN 65 1HB ASN 65 6.668 5.465 1.245 431 HB3 ASN 65 2HB ASN 65 5.058 5.120 0.629 432 HD21 ASN 65 2HD2 ASN 65 3.598 6.819 0.360 433 HD22 ASN 65 1HD2 ASN 65 4.093 8.475 0.446 434 H GLN 66 H GLN 66 3.904 6.999 4.001 435 HA GLN 66 HA GLN 66 6.115 8.449 5.044 436 HB2 GLN 66 1HB GLN 66 3.472 9.008 4.669 437 HB3 GLN 66 2HB GLN 66 3.512 8.739 6.405 438 HG2 GLN 66 1HG GLN 66 3.840 11.033 6.157 439 HG3 GLN 66 2HG GLN 66 5.453 10.388 6.448 440 HE21 GLN 66 2HE2 GLN 66 5.570 9.312 3.665 441 HE22 GLN 66 1HE2 GLN 66 5.887 10.679 2.666 442 H VAL 67 H VAL 67 3.719 6.280 6.486 443 HA VAL 67 HA VAL 67 4.837 6.144 9.054 444 HB VAL 67 HB VAL 67 3.450 3.849 7.659 445 HG11 VAL 67 1HG1 VAL 67 2.683 3.293 9.934 446 HG12 VAL 67 2HG1 VAL 67 3.675 4.609 10.561 447 HG13 VAL 67 3HG1 VAL 67 4.436 3.234 9.764 448 HG21 VAL 67 3HG2 VAL 67 2.098 5.863 7.386 449 HG22 VAL 67 1HG2 VAL 67 2.186 6.170 9.119 450 HG23 VAL 67 2HG2 VAL 67 1.334 4.749 8.518 451 H CYS 68 H CYS 68 5.350 4.071 6.214 452 HA CYS 68 HA CYS 68 7.265 2.353 7.397 453 HB2 CYS 68 1HB CYS 68 6.917 3.009 4.480 454 HB3 CYS 68 2HB CYS 68 7.638 1.557 5.167 455 H ALA 69 H ALA 69 7.505 5.568 6.479 456 HA ALA 69 HA ALA 69 10.293 5.499 5.681 457 HB1 ALA 69 3HB ALA 69 10.144 7.943 5.660 458 HB2 ALA 69 1HB ALA 69 8.542 7.859 6.391 459 HB3 ALA 69 2HB ALA 69 8.804 7.226 4.767 460 H LYS 70 H LYS 70 8.482 5.539 8.537 461 HA LYS 70 HA LYS 70 10.670 6.588 10.163 462 HB2 LYS 70 1HB LYS 70 7.932 5.646 11.020 463 HB3 LYS 70 2HB LYS 70 9.092 6.534 11.999 464 HG2 LYS 70 1HG LYS 70 8.845 8.475 10.567 465 HG3 LYS 70 2HG LYS 70 7.728 7.584 9.531 466 HD2 LYS 70 1HD LYS 70 6.231 7.293 11.489 467 HD3 LYS 70 2HD LYS 70 7.325 8.309 12.430 468 HE2 LYS 70 1HE LYS 70 6.954 10.151 10.872 469 HE3 LYS 70 2HE LYS 70 5.874 9.129 9.923 470 HZ1 LYS 70 3HZ LYS 70 4.622 10.567 11.380 471 HZ2 LYS 70 1HZ LYS 70 5.444 9.978 12.733 472 HZ3 LYS 70 2HZ LYS 70 4.419 8.962 11.857 473 H ASP 71 H ASP 71 9.345 3.603 9.058 474 HA ASP 71 HA ASP 71 11.101 2.141 10.840 475 HB2 ASP 71 1HB ASP 71 8.122 1.804 10.722 476 HB3 ASP 71 2HB ASP 71 9.141 0.397 10.997 477 HA PRO 72 HA PRO 72 11.691 0.633 6.593 478 HB2 PRO 72 1HB PRO 72 14.040 -0.639 7.861 479 HB3 PRO 72 2HB PRO 72 13.969 0.448 6.471 480 HG2 PRO 72 1HG PRO 72 14.937 1.273 8.826 481 HG3 PRO 72 2HG PRO 72 13.986 2.352 7.786 482 HD2 PRO 72 1HD PRO 72 13.142 0.846 10.236 483 HD3 PRO 72 2HD PRO 72 12.760 2.514 9.744 484 H GLN 73 H GLN 73 11.433 -1.029 9.607 485 HA GLN 73 HA GLN 73 11.567 -3.694 8.650 486 HB2 GLN 73 1HB GLN 73 10.310 -2.561 11.145 487 HB3 GLN 73 2HB GLN 73 10.560 -4.271 10.838 488 HG2 GLN 73 1HG GLN 73 12.951 -3.957 10.817 489 HG3 GLN 73 2HG GLN 73 12.748 -2.214 11.001 490 HE21 GLN 73 2HE2 GLN 73 12.142 -1.383 12.988 491 HE22 GLN 73 1HE2 GLN 73 12.201 -2.319 14.437 492 H MET 74 H MET 74 9.247 -1.370 8.113 493 HA MET 74 HA MET 74 6.952 -3.115 8.277 494 HB2 MET 74 1HB MET 74 7.205 -0.292 7.242 495 HB3 MET 74 2HB MET 74 5.692 -1.174 7.393 496 HG2 MET 74 1HG MET 74 6.049 -1.337 9.817 497 HG3 MET 74 2HG MET 74 7.536 -0.411 9.646 498 HE1 MET 74 3HE MET 74 4.114 0.126 7.731 499 HE2 MET 74 1HE MET 74 3.316 1.264 8.814 500 HE3 MET 74 2HE MET 74 3.641 -0.384 9.351 501 H LEU 75 H LEU 75 6.927 -4.702 6.814 502 HA LEU 75 HA LEU 75 7.753 -4.334 4.097 503 HB2 LEU 75 1HB LEU 75 6.414 -6.580 5.579 504 HB3 LEU 75 2HB LEU 75 6.547 -6.617 3.835 505 HG LEU 75 HG LEU 75 9.036 -6.459 4.086 506 HD11 LEU 75 1HD1 LEU 75 10.023 -7.004 6.253 507 HD12 LEU 75 2HD1 LEU 75 8.427 -6.916 6.998 508 HD13 LEU 75 3HD1 LEU 75 9.152 -5.471 6.296 509 HD21 LEU 75 3HD2 LEU 75 7.682 -8.807 5.403 510 HD22 LEU 75 1HD2 LEU 75 9.321 -8.800 4.754 511 HD23 LEU 75 2HD2 LEU 75 7.945 -8.587 3.673 512 H LEU 76 H LEU 76 6.318 -4.643 2.251 513 HA LEU 76 HA LEU 76 4.303 -2.753 2.193 514 HB2 LEU 76 1HB LEU 76 5.571 -3.821 0.279 515 HB3 LEU 76 2HB LEU 76 4.406 -5.131 0.361 516 HG LEU 76 HG LEU 76 2.597 -3.459 -0.062 517 HD11 LEU 76 1HD1 LEU 76 4.946 -1.632 -0.537 518 HD12 LEU 76 2HD1 LEU 76 3.694 -1.452 0.692 519 HD13 LEU 76 3HD1 LEU 76 3.287 -1.283 -1.013 520 HD21 LEU 76 3HD2 LEU 76 3.477 -4.842 -1.861 521 HD22 LEU 76 1HD2 LEU 76 4.768 -3.675 -2.148 522 HD23 LEU 76 2HD2 LEU 76 3.090 -3.228 -2.456 523 H ILE 77 H ILE 77 3.832 -6.288 2.113 524 HA ILE 77 HA ILE 77 1.067 -6.325 2.168 525 HB ILE 77 HB ILE 77 2.954 -8.344 3.396 526 HG12 ILE 77 1HG1 ILE 77 3.342 -7.976 1.003 527 HG13 ILE 77 2HG1 ILE 77 2.656 -9.571 1.287 528 HG21 ILE 77 1HG2 ILE 77 0.716 -8.640 4.297 529 HG22 ILE 77 2HG2 ILE 77 1.102 -9.951 3.180 530 HG23 ILE 77 3HG2 ILE 77 0.039 -8.640 2.668 531 HD11 ILE 77 3HD1 ILE 77 1.651 -8.571 -0.662 532 HD12 ILE 77 1HD1 ILE 77 1.195 -7.143 0.264 533 HD13 ILE 77 2HD1 ILE 77 0.448 -8.700 0.620 534 H THR 78 H THR 78 3.253 -6.485 5.001 535 HA THR 78 HA THR 78 1.159 -6.643 6.873 536 HB THR 78 HB THR 78 3.001 -5.931 8.508 537 HG1 THR 78 HG1 THR 78 4.956 -5.543 7.707 538 HG21 THR 78 3HG2 THR 78 3.517 -8.299 6.701 539 HG22 THR 78 1HG2 THR 78 2.397 -8.276 8.063 540 HG23 THR 78 2HG2 THR 78 4.128 -8.092 8.342 541 H ALA 79 H ALA 79 3.195 -3.920 5.853 542 HA ALA 79 HA ALA 79 2.060 -1.945 7.405 543 HB1 ALA 79 3HB ALA 79 2.915 -0.355 5.821 544 HB2 ALA 79 1HB ALA 79 3.055 -1.614 4.594 545 HB3 ALA 79 2HB ALA 79 4.066 -1.674 6.037 546 H ILE 80 H ILE 80 0.954 -3.040 4.186 547 HA ILE 80 HA ILE 80 -1.138 -1.192 3.898 548 HB ILE 80 HB ILE 80 -1.001 -4.047 2.870 549 HG12 ILE 80 1HG1 ILE 80 -0.391 -1.422 1.489 550 HG13 ILE 80 2HG1 ILE 80 0.816 -2.559 2.083 551 HG21 ILE 80 1HG2 ILE 80 -2.835 -1.793 2.043 552 HG22 ILE 80 2HG2 ILE 80 -3.309 -3.271 2.880 553 HG23 ILE 80 3HG2 ILE 80 -2.698 -3.349 1.226 554 HD11 ILE 80 3HD1 ILE 80 -1.201 -3.082 -0.090 555 HD12 ILE 80 1HD1 ILE 80 -0.015 -4.241 0.511 556 HD13 ILE 80 2HD1 ILE 80 0.520 -2.775 -0.309 557 H ASP 81 H ASP 81 -1.013 -4.328 5.489 558 HA ASP 81 HA ASP 81 -3.682 -4.674 6.195 559 HB2 ASP 81 1HB ASP 81 -2.187 -6.481 6.555 560 HB3 ASP 81 2HB ASP 81 -1.113 -5.499 7.542 561 H ASP 82 H ASP 82 -1.176 -2.790 7.793 562 HA ASP 82 HA ASP 82 -2.895 -2.108 10.005 563 HB2 ASP 82 1HB ASP 82 -0.386 -2.325 10.190 564 HB3 ASP 82 2HB ASP 82 -0.261 -0.809 9.303 565 H THR 83 H THR 83 -2.173 -0.785 6.880 566 HA THR 83 HA THR 83 -3.005 1.883 7.483 567 HB THR 83 HB THR 83 -2.786 0.522 4.782 568 HG1 THR 83 HG1 THR 83 -0.791 0.507 5.968 569 HG21 THR 83 3HG2 THR 83 -4.068 2.614 4.731 570 HG22 THR 83 1HG2 THR 83 -2.506 2.819 3.937 571 HG23 THR 83 2HG2 THR 83 -2.757 3.446 5.568 572 H MET 84 H MET 84 -4.457 -0.958 5.923 573 HA MET 84 HA MET 84 -7.008 0.237 5.482 574 HB2 MET 84 1HB MET 84 -7.815 -2.169 5.326 575 HB3 MET 84 2HB MET 84 -6.542 -1.715 4.204 576 HG2 MET 84 1HG MET 84 -4.914 -2.898 5.402 577 HG3 MET 84 2HG MET 84 -5.953 -3.056 6.814 578 HE1 MET 84 3HE MET 84 -7.555 -4.920 7.234 579 HE2 MET 84 1HE MET 84 -8.361 -5.853 5.971 580 HE3 MET 84 2HE MET 84 -8.612 -4.108 6.078 581 H ARG 85 H ARG 85 -5.421 -1.096 8.186 582 HA ARG 85 HA ARG 85 -7.686 -1.573 9.840 583 HB2 ARG 85 1HB ARG 85 -5.602 -2.662 10.325 584 HB3 ARG 85 2HB ARG 85 -4.752 -1.130 10.384 585 HG2 ARG 85 1HG ARG 85 -6.144 -0.555 12.391 586 HG3 ARG 85 2HG ARG 85 -6.713 -2.229 12.374 587 HD2 ARG 85 1HD ARG 85 -4.432 -3.029 12.585 588 HD3 ARG 85 2HD ARG 85 -3.825 -1.376 12.525 589 HE ARG 85 HE ARG 85 -5.694 -2.059 14.654 590 HH11 ARG 85 1HH1 ARG 85 -2.359 -1.391 13.683 591 HH12 ARG 85 2HH1 ARG 85 -1.830 -1.151 15.312 592 HH21 ARG 85 1HH2 ARG 85 -4.949 -1.740 16.789 593 HH22 ARG 85 2HH2 ARG 85 -3.288 -1.356 17.075 594 H ALA 86 H ALA 86 -5.365 1.086 9.472 595 HA ALA 86 HA ALA 86 -6.424 2.763 11.462 596 HB1 ALA 86 3HB ALA 86 -4.860 3.534 9.003 597 HB2 ALA 86 1HB ALA 86 -4.172 3.025 10.545 598 HB3 ALA 86 2HB ALA 86 -5.093 4.526 10.442 599 H ILE 87 H ILE 87 -7.028 2.650 7.959 600 HA ILE 87 HA ILE 87 -9.023 4.754 8.245 601 HB ILE 87 HB ILE 87 -9.303 4.614 5.780 602 HG12 ILE 87 1HG1 ILE 87 -7.257 3.320 4.672 603 HG13 ILE 87 2HG1 ILE 87 -7.420 2.314 6.105 604 HG21 ILE 87 1HG2 ILE 87 -7.726 6.173 6.752 605 HG22 ILE 87 2HG2 ILE 87 -7.125 5.564 5.210 606 HG23 ILE 87 3HG2 ILE 87 -6.461 4.942 6.720 607 HD11 ILE 87 3HD1 ILE 87 -9.579 2.861 4.078 608 HD12 ILE 87 1HD1 ILE 87 -9.738 1.836 5.505 609 HD13 ILE 87 2HD1 ILE 87 -8.627 1.385 4.210 610 H GLY 88 H GLY 88 -9.091 1.657 8.937 611 HA2 GLY 88 1HA GLY 88 -11.723 1.097 7.769 612 HA3 GLY 88 2HA GLY 88 -10.671 -0.082 8.545 613 H LYS 89 H LYS 89 -13.425 1.615 8.918 614 HA LYS 89 HA LYS 89 -13.153 1.771 11.840 615 HB2 LYS 89 1HB LYS 89 -15.116 3.166 10.019 616 HB3 LYS 89 2HB LYS 89 -15.140 3.262 11.774 617 HG2 LYS 89 1HG LYS 89 -12.897 4.277 11.723 618 HG3 LYS 89 2HG LYS 89 -12.944 4.237 9.959 619 HD2 LYS 89 1HD LYS 89 -14.942 5.661 9.991 620 HD3 LYS 89 2HD LYS 89 -14.868 5.712 11.753 621 HE2 LYS 89 1HE LYS 89 -12.662 6.775 11.619 622 HE3 LYS 89 2HE LYS 89 -12.754 6.734 9.860 623 HZ1 LYS 89 3HZ LYS 89 -13.365 8.895 10.765 624 HZ2 LYS 89 1HZ LYS 89 -14.638 8.195 11.630 625 HZ3 LYS 89 2HZ LYS 89 -14.659 8.188 9.941 626 H LYS 90 H LYS 90 -14.137 0.309 12.998 627 HA LYS 90 HA LYS 90 -16.073 -1.447 11.716 628 HB2 LYS 90 1HB LYS 90 -14.155 -2.444 12.909 629 HB3 LYS 90 2HB LYS 90 -14.681 -1.670 14.393 630 HG2 LYS 90 1HG LYS 90 -16.737 -2.989 14.351 631 HG3 LYS 90 2HG LYS 90 -16.202 -3.767 12.859 632 HD2 LYS 90 1HD LYS 90 -14.268 -4.689 14.010 633 HD3 LYS 90 2HD LYS 90 -14.736 -3.861 15.495 634 HE2 LYS 90 1HE LYS 90 -15.387 -6.201 15.572 635 HE3 LYS 90 2HE LYS 90 -16.805 -5.152 15.564 636 HZ1 LYS 90 3HZ LYS 90 -17.079 -5.599 13.210 637 HZ2 LYS 90 1HZ LYS 90 -17.079 -7.039 14.090 638 HZ3 LYS 90 2HZ LYS 90 -15.711 -6.589 13.208 Start of MODEL 7 1 H ASN 7 H ASN 7 4.237 -18.365 -8.765 2 HA ASN 7 HA ASN 7 6.123 -20.502 -8.692 3 HB2 ASN 7 1HB ASN 7 7.748 -18.787 -8.070 4 HB3 ASN 7 2HB ASN 7 6.738 -18.221 -9.394 5 HD21 ASN 7 2HD2 ASN 7 8.281 -16.681 -7.519 6 HD22 ASN 7 1HD2 ASN 7 7.163 -15.645 -6.700 7 H GLY 8 H GLY 8 4.472 -18.593 -6.270 8 HA2 GLY 8 1HA GLY 8 3.947 -20.235 -4.315 9 HA3 GLY 8 2HA GLY 8 5.697 -20.189 -4.140 10 H LEU 9 H LEU 9 6.265 -17.577 -4.631 11 HA LEU 9 HA LEU 9 4.611 -15.960 -2.887 12 HB2 LEU 9 1HB LEU 9 6.311 -17.148 -1.479 13 HB3 LEU 9 2HB LEU 9 7.561 -16.336 -2.396 14 HG LEU 9 HG LEU 9 6.608 -14.154 -1.615 15 HD11 LEU 9 1HD1 LEU 9 5.153 -14.196 0.356 16 HD12 LEU 9 2HD1 LEU 9 5.004 -15.947 0.200 17 HD13 LEU 9 3HD1 LEU 9 4.366 -14.892 -1.061 18 HD21 LEU 9 3HD2 LEU 9 8.582 -15.122 -0.581 19 HD22 LEU 9 1HD2 LEU 9 7.566 -16.084 0.492 20 HD23 LEU 9 2HD2 LEU 9 7.577 -14.327 0.630 21 HA PRO 10 HA PRO 10 5.950 -13.359 -6.352 22 HB2 PRO 10 1HB PRO 10 4.067 -11.442 -5.140 23 HB3 PRO 10 2HB PRO 10 4.065 -12.130 -6.767 24 HG2 PRO 10 1HG PRO 10 2.236 -12.840 -4.928 25 HG3 PRO 10 2HG PRO 10 2.864 -13.991 -6.123 26 HD2 PRO 10 1HD PRO 10 3.588 -13.670 -3.235 27 HD3 PRO 10 2HD PRO 10 3.346 -15.156 -4.183 28 H SER 11 H SER 11 7.353 -11.626 -6.460 29 HA SER 11 HA SER 11 8.896 -10.972 -4.236 30 HB2 SER 11 1HB SER 11 8.627 -9.396 -6.801 31 HB3 SER 11 2HB SER 11 9.994 -9.370 -5.686 32 HG SER 11 HG SER 11 10.724 -10.938 -6.880 33 H GLU 12 H GLU 12 5.894 -9.723 -5.223 34 HA GLU 12 HA GLU 12 5.916 -7.096 -4.289 35 HB2 GLU 12 1HB GLU 12 3.537 -8.906 -3.964 36 HB3 GLU 12 2HB GLU 12 3.563 -7.193 -4.347 37 HG2 GLU 12 1HG GLU 12 4.363 -9.451 -6.175 38 HG3 GLU 12 2HG GLU 12 2.895 -8.486 -6.273 39 H THR 13 H THR 13 5.997 -10.084 -2.557 40 HA THR 13 HA THR 13 5.012 -8.966 -0.060 41 HB THR 13 HB THR 13 5.381 -11.231 0.832 42 HG1 THR 13 HG1 THR 13 6.257 -11.981 -1.780 43 HG21 THR 13 3HG2 THR 13 3.839 -12.482 -0.651 44 HG22 THR 13 1HG2 THR 13 4.029 -11.228 -1.875 45 HG23 THR 13 2HG2 THR 13 3.267 -10.844 -0.327 46 H TYR 14 H TYR 14 7.902 -9.131 -1.740 47 HA TYR 14 HA TYR 14 9.596 -9.380 0.621 48 HB2 TYR 14 1HB TYR 14 10.354 -10.803 -1.087 49 HB3 TYR 14 2HB TYR 14 10.053 -9.612 -2.342 50 HD1 TYR 14 HD1 TYR 14 12.319 -10.469 0.472 51 HD2 TYR 14 HD2 TYR 14 11.744 -8.148 -3.047 52 HE1 TYR 14 HE1 TYR 14 14.689 -9.809 0.521 53 HE2 TYR 14 HE2 TYR 14 14.095 -7.481 -3.008 54 HH TYR 14 HH TYR 14 16.409 -9.004 -1.065 55 H ILE 15 H ILE 15 8.261 -6.999 -1.409 56 HA ILE 15 HA ILE 15 10.454 -5.137 -0.971 57 HB ILE 15 HB ILE 15 9.445 -5.308 -3.236 58 HG12 ILE 15 1HG1 ILE 15 9.128 -2.878 -3.623 59 HG13 ILE 15 2HG1 ILE 15 9.059 -2.635 -1.880 60 HG21 ILE 15 1HG2 ILE 15 6.970 -4.207 -1.928 61 HG22 ILE 15 2HG2 ILE 15 7.162 -5.806 -2.649 62 HG23 ILE 15 3HG2 ILE 15 7.222 -4.366 -3.666 63 HD11 ILE 15 3HD1 ILE 15 11.246 -2.095 -2.840 64 HD12 ILE 15 1HD1 ILE 15 11.410 -3.768 -3.372 65 HD13 ILE 15 2HD1 ILE 15 11.330 -3.390 -1.649 66 H THR 16 H THR 16 10.197 -3.179 0.171 67 HA THR 16 HA THR 16 7.962 -3.199 2.060 68 HB THR 16 HB THR 16 9.242 -1.499 3.316 69 HG1 THR 16 HG1 THR 16 11.398 -1.977 1.524 70 HG21 THR 16 3HG2 THR 16 10.818 -3.986 2.634 71 HG22 THR 16 1HG2 THR 16 9.595 -3.823 3.895 72 HG23 THR 16 2HG2 THR 16 11.116 -2.942 4.027 73 H CYS 17 H CYS 17 6.920 -1.156 2.565 74 HA CYS 17 HA CYS 17 6.160 0.253 0.209 75 HB2 CYS 17 1HB CYS 17 5.157 1.700 2.296 76 HB3 CYS 17 2HB CYS 17 4.371 0.303 1.559 77 H ALA 18 H ALA 18 8.590 0.673 2.594 78 HA ALA 18 HA ALA 18 9.002 3.470 2.294 79 HB1 ALA 18 3HB ALA 18 11.161 3.048 3.370 80 HB2 ALA 18 1HB ALA 18 10.947 1.313 3.135 81 HB3 ALA 18 2HB ALA 18 9.869 2.197 4.215 82 H GLU 19 H GLU 19 10.390 0.572 0.832 83 HA GLU 19 HA GLU 19 12.116 1.983 -0.950 84 HB2 GLU 19 1HB GLU 19 11.108 -0.863 -1.019 85 HB3 GLU 19 2HB GLU 19 12.383 -0.221 -2.046 86 HG2 GLU 19 1HG GLU 19 13.836 0.077 -0.203 87 HG3 GLU 19 2HG GLU 19 12.537 -0.222 0.952 88 H ALA 20 H ALA 20 8.780 1.001 -0.979 89 HA ALA 20 HA ALA 20 8.289 1.022 -3.721 90 HB1 ALA 20 3HB ALA 20 5.946 1.345 -3.110 91 HB2 ALA 20 1HB ALA 20 6.425 1.750 -1.463 92 HB3 ALA 20 2HB ALA 20 6.705 0.125 -2.089 93 H ASN 21 H ASN 21 8.581 3.553 -1.349 94 HA ASN 21 HA ASN 21 7.559 5.664 -2.999 95 HB2 ASN 21 1HB ASN 21 7.634 5.822 -0.521 96 HB3 ASN 21 2HB ASN 21 9.391 5.830 -0.587 97 HD21 ASN 21 2HD2 ASN 21 9.580 7.842 0.348 98 HD22 ASN 21 1HD2 ASN 21 9.130 9.296 -0.468 99 H GLU 22 H GLU 22 10.733 4.479 -2.132 100 HA GLU 22 HA GLU 22 12.306 6.226 -3.617 101 HB2 GLU 22 1HB GLU 22 12.862 3.297 -3.104 102 HB3 GLU 22 2HB GLU 22 14.053 4.513 -3.547 103 HG2 GLU 22 1HG GLU 22 13.557 5.715 -1.449 104 HG3 GLU 22 2HG GLU 22 12.449 4.421 -1.001 105 H MET 23 H MET 23 11.033 3.041 -4.628 106 HA MET 23 HA MET 23 11.991 3.300 -7.297 107 HB2 MET 23 1HB MET 23 10.644 1.322 -7.804 108 HB3 MET 23 2HB MET 23 11.542 1.100 -6.311 109 HG2 MET 23 1HG MET 23 9.469 1.730 -5.076 110 HG3 MET 23 2HG MET 23 8.614 1.693 -6.615 111 HE1 MET 23 3HE MET 23 10.051 -0.778 -8.078 112 HE2 MET 23 1HE MET 23 8.309 -0.490 -8.078 113 HE3 MET 23 2HE MET 23 8.941 -2.076 -7.631 114 H ALA 24 H ALA 24 8.979 4.050 -5.754 115 HA ALA 24 HA ALA 24 7.262 4.672 -7.793 116 HB1 ALA 24 3HB ALA 24 7.649 6.457 -5.396 117 HB2 ALA 24 1HB ALA 24 6.684 4.982 -5.429 118 HB3 ALA 24 2HB ALA 24 6.211 6.367 -6.413 119 H LYS 25 H LYS 25 10.148 6.456 -7.017 120 HA LYS 25 HA LYS 25 9.532 8.790 -8.484 121 HB2 LYS 25 1HB LYS 25 12.205 7.618 -7.720 122 HB3 LYS 25 2HB LYS 25 11.977 9.226 -8.401 123 HG2 LYS 25 1HG LYS 25 10.596 9.844 -6.484 124 HG3 LYS 25 2HG LYS 25 10.822 8.233 -5.804 125 HD2 LYS 25 1HD LYS 25 13.217 8.627 -5.637 126 HD3 LYS 25 2HD LYS 25 13.018 10.223 -6.366 127 HE2 LYS 25 1HE LYS 25 13.195 10.420 -3.953 128 HE3 LYS 25 2HE LYS 25 11.586 10.892 -4.489 129 HZ1 LYS 25 3HZ LYS 25 12.356 8.312 -3.241 130 HZ2 LYS 25 1HZ LYS 25 10.818 8.643 -3.867 131 HZ3 LYS 25 2HZ LYS 25 11.407 9.526 -2.553 132 H THR 26 H THR 26 10.485 5.653 -9.471 133 HA THR 26 HA THR 26 10.919 6.647 -12.210 134 HB THR 26 HB THR 26 12.140 4.535 -12.663 135 HG1 THR 26 HG1 THR 26 11.443 3.095 -11.158 136 HG21 THR 26 3HG2 THR 26 14.182 5.093 -11.420 137 HG22 THR 26 1HG2 THR 26 13.242 6.109 -10.328 138 HG23 THR 26 2HG2 THR 26 13.392 6.548 -12.029 139 H ASP 27 H ASP 27 9.400 4.177 -10.217 140 HA ASP 27 HA ASP 27 7.606 3.525 -12.465 141 HB2 ASP 27 1HB ASP 27 8.568 1.663 -10.285 142 HB3 ASP 27 2HB ASP 27 7.466 1.241 -11.592 143 H SER 28 H SER 28 6.689 5.526 -11.136 144 HA SER 28 HA SER 28 5.354 5.087 -8.724 145 HB2 SER 28 1HB SER 28 3.860 7.005 -9.660 146 HB3 SER 28 2HB SER 28 5.567 7.326 -9.339 147 HG SER 28 HG SER 28 4.383 7.770 -11.567 148 H ALA 29 H ALA 29 4.404 4.477 -12.070 149 HA ALA 29 HA ALA 29 1.701 4.002 -11.720 150 HB1 ALA 29 3HB ALA 29 2.722 4.248 -13.898 151 HB2 ALA 29 1HB ALA 29 1.867 2.709 -13.805 152 HB3 ALA 29 2HB ALA 29 3.626 2.752 -13.669 153 H GLN 30 H GLN 30 4.438 1.731 -11.464 154 HA GLN 30 HA GLN 30 2.946 -0.601 -11.085 155 HB2 GLN 30 1HB GLN 30 5.692 0.127 -10.063 156 HB3 GLN 30 2HB GLN 30 4.992 -1.473 -9.893 157 HG2 GLN 30 1HG GLN 30 4.809 -1.588 -12.368 158 HG3 GLN 30 2HG GLN 30 5.671 -0.051 -12.453 159 HE21 GLN 30 2HE2 GLN 30 7.384 -0.949 -13.564 160 HE22 GLN 30 1HE2 GLN 30 8.540 -1.989 -12.814 161 H VAL 31 H VAL 31 4.559 1.333 -8.566 162 HA VAL 31 HA VAL 31 3.499 0.111 -6.352 163 HB VAL 31 HB VAL 31 4.088 3.066 -6.631 164 HG11 VAL 31 1HG1 VAL 31 4.532 2.977 -4.217 165 HG12 VAL 31 2HG1 VAL 31 4.018 1.289 -4.193 166 HG13 VAL 31 3HG1 VAL 31 2.861 2.557 -4.595 167 HG21 VAL 31 3HG2 VAL 31 5.980 1.732 -7.364 168 HG22 VAL 31 1HG2 VAL 31 5.908 0.777 -5.882 169 HG23 VAL 31 2HG2 VAL 31 6.332 2.486 -5.808 170 H ALA 32 H ALA 32 2.063 2.674 -8.331 171 HA ALA 32 HA ALA 32 -0.078 3.278 -6.590 172 HB1 ALA 32 3HB ALA 32 0.635 4.788 -8.378 173 HB2 ALA 32 1HB ALA 32 -1.080 4.401 -8.509 174 HB3 ALA 32 2HB ALA 32 0.084 3.622 -9.583 175 H GLU 33 H GLU 33 0.275 0.991 -9.258 176 HA GLU 33 HA GLU 33 -2.468 0.191 -9.177 177 HB2 GLU 33 1HB GLU 33 -0.056 -1.010 -10.523 178 HB3 GLU 33 2HB GLU 33 -1.676 -1.683 -10.667 179 HG2 GLU 33 1HG GLU 33 -2.462 0.395 -11.660 180 HG3 GLU 33 2HG GLU 33 -0.854 1.094 -11.486 181 H ILE 34 H ILE 34 0.354 -0.739 -7.415 182 HA ILE 34 HA ILE 34 -0.667 -3.348 -6.690 183 HB ILE 34 HB ILE 34 1.632 -1.776 -5.487 184 HG12 ILE 34 1HG1 ILE 34 1.692 -4.067 -7.465 185 HG13 ILE 34 2HG1 ILE 34 1.919 -2.374 -7.891 186 HG21 ILE 34 1HG2 ILE 34 2.335 -3.945 -4.546 187 HG22 ILE 34 2HG2 ILE 34 0.857 -4.677 -5.167 188 HG23 ILE 34 3HG2 ILE 34 0.767 -3.428 -3.927 189 HD11 ILE 34 3HD1 ILE 34 3.691 -3.992 -6.072 190 HD12 ILE 34 1HD1 ILE 34 3.922 -2.294 -6.491 191 HD13 ILE 34 2HD1 ILE 34 4.042 -3.536 -7.738 192 H VAL 35 H VAL 35 -0.268 -0.217 -5.196 193 HA VAL 35 HA VAL 35 -1.454 -0.962 -2.692 194 HB VAL 35 HB VAL 35 -1.520 1.420 -2.139 195 HG11 VAL 35 1HG1 VAL 35 1.041 0.600 -3.493 196 HG12 VAL 35 2HG1 VAL 35 0.571 0.237 -1.833 197 HG13 VAL 35 3HG1 VAL 35 0.879 1.904 -2.319 198 HG21 VAL 35 3HG2 VAL 35 -2.200 2.360 -4.259 199 HG22 VAL 35 1HG2 VAL 35 -0.690 1.846 -5.007 200 HG23 VAL 35 2HG2 VAL 35 -0.676 3.096 -3.769 201 H ALA 36 H ALA 36 -2.693 0.091 -5.723 202 HA ALA 36 HA ALA 36 -5.286 0.813 -4.696 203 HB1 ALA 36 3HB ALA 36 -4.408 0.405 -7.551 204 HB2 ALA 36 1HB ALA 36 -4.352 1.934 -6.673 205 HB3 ALA 36 2HB ALA 36 -5.904 1.169 -7.011 206 H VAL 37 H VAL 37 -4.113 -1.727 -6.924 207 HA VAL 37 HA VAL 37 -6.534 -3.072 -7.108 208 HB VAL 37 HB VAL 37 -3.733 -4.128 -7.510 209 HG11 VAL 37 1HG1 VAL 37 -6.358 -5.443 -8.229 210 HG12 VAL 37 2HG1 VAL 37 -5.238 -5.991 -6.980 211 HG13 VAL 37 3HG1 VAL 37 -4.753 -6.023 -8.675 212 HG21 VAL 37 3HG2 VAL 37 -4.303 -3.908 -9.882 213 HG22 VAL 37 1HG2 VAL 37 -4.432 -2.360 -9.046 214 HG23 VAL 37 2HG2 VAL 37 -5.888 -3.274 -9.444 215 H MET 38 H MET 38 -3.702 -4.229 -5.052 216 HA MET 38 HA MET 38 -5.397 -6.100 -3.821 217 HB2 MET 38 1HB MET 38 -2.844 -6.159 -4.233 218 HB3 MET 38 2HB MET 38 -2.726 -5.150 -2.803 219 HG2 MET 38 1HG MET 38 -4.076 -7.838 -2.826 220 HG3 MET 38 2HG MET 38 -2.370 -7.614 -2.460 221 HE1 MET 38 3HE MET 38 -1.457 -6.411 -0.306 222 HE2 MET 38 1HE MET 38 -2.478 -5.584 0.871 223 HE3 MET 38 2HE MET 38 -2.320 -4.942 -0.763 224 H GLY 39 H GLY 39 -4.207 -2.877 -3.020 225 HA2 GLY 39 1HA GLY 39 -4.816 -2.805 -0.302 226 HA3 GLY 39 2HA GLY 39 -4.794 -1.405 -1.359 227 H ASN 40 H ASN 40 -6.829 -1.443 -2.896 228 HA ASN 40 HA ASN 40 -9.080 -0.932 -1.374 229 HB2 ASN 40 1HB ASN 40 -10.103 -0.352 -3.330 230 HB3 ASN 40 2HB ASN 40 -8.463 -0.529 -3.953 231 HD21 ASN 40 2HD2 ASN 40 -7.978 -2.210 -5.281 232 HD22 ASN 40 1HD2 ASN 40 -9.168 -3.256 -5.979 233 H ALA 41 H ALA 41 -8.065 -3.978 -2.768 234 HA ALA 41 HA ALA 41 -10.544 -5.319 -2.308 235 HB1 ALA 41 3HB ALA 41 -8.959 -6.085 -4.013 236 HB2 ALA 41 1HB ALA 41 -9.308 -7.355 -2.841 237 HB3 ALA 41 2HB ALA 41 -7.788 -6.467 -2.751 238 H SER 42 H SER 42 -7.441 -5.202 -0.663 239 HA SER 42 HA SER 42 -7.973 -6.976 1.412 240 HB2 SER 42 1HB SER 42 -5.733 -5.971 0.859 241 HB3 SER 42 2HB SER 42 -6.262 -4.495 1.665 242 HG SER 42 HG SER 42 -6.405 -5.616 3.596 243 H VAL 43 H VAL 43 -8.511 -3.429 1.361 244 HA VAL 43 HA VAL 43 -9.567 -3.418 3.992 245 HB VAL 43 HB VAL 43 -8.607 -1.391 2.995 246 HG11 VAL 43 1HG1 VAL 43 -11.014 -1.386 1.191 247 HG12 VAL 43 2HG1 VAL 43 -9.338 -1.641 0.708 248 HG13 VAL 43 3HG1 VAL 43 -9.843 -0.076 1.344 249 HG21 VAL 43 3HG2 VAL 43 -10.120 -1.101 4.848 250 HG22 VAL 43 1HG2 VAL 43 -11.505 -1.125 3.757 251 HG23 VAL 43 2HG2 VAL 43 -10.358 0.213 3.693 252 H ALA 44 H ALA 44 -11.060 -3.672 0.819 253 HA ALA 44 HA ALA 44 -13.733 -3.417 1.736 254 HB1 ALA 44 3HB ALA 44 -13.119 -3.054 -0.594 255 HB2 ALA 44 1HB ALA 44 -14.367 -4.291 -0.449 256 HB3 ALA 44 2HB ALA 44 -12.690 -4.756 -0.755 257 H SER 45 H SER 45 -11.620 -6.120 1.232 258 HA SER 45 HA SER 45 -13.588 -8.105 1.694 259 HB2 SER 45 1HB SER 45 -11.651 -9.674 1.993 260 HB3 SER 45 2HB SER 45 -11.625 -8.749 0.494 261 HG SER 45 HG SER 45 -10.024 -7.498 1.279 262 H ARG 46 H ARG 46 -11.989 -6.063 3.887 263 HA ARG 46 HA ARG 46 -12.363 -7.968 6.084 264 HB2 ARG 46 1HB ARG 46 -10.237 -6.600 5.721 265 HB3 ARG 46 2HB ARG 46 -11.172 -5.218 6.272 266 HG2 ARG 46 1HG ARG 46 -10.177 -5.857 8.223 267 HG3 ARG 46 2HG ARG 46 -11.678 -6.783 8.317 268 HD2 ARG 46 1HD ARG 46 -9.849 -8.228 8.887 269 HD3 ARG 46 2HD ARG 46 -10.484 -8.714 7.316 270 HE ARG 46 HE ARG 46 -8.102 -6.989 7.526 271 HH11 ARG 46 1HH1 ARG 46 -9.640 -9.923 6.364 272 HH12 ARG 46 2HH1 ARG 46 -8.285 -10.409 5.411 273 HH21 ARG 46 1HH2 ARG 46 -6.285 -7.638 6.244 274 HH22 ARG 46 2HH2 ARG 46 -6.383 -9.109 5.343 275 H ASP 47 H ASP 47 -13.665 -4.903 4.830 276 HA ASP 47 HA ASP 47 -15.438 -4.803 7.154 277 HB2 ASP 47 1HB ASP 47 -13.779 -2.927 6.199 278 HB3 ASP 47 2HB ASP 47 -15.232 -2.544 5.292 279 H LEU 48 H LEU 48 -15.322 -5.212 3.745 280 HA LEU 48 HA LEU 48 -16.836 -5.826 2.211 281 HB2 LEU 48 1HB LEU 48 -18.809 -5.875 4.486 282 HB3 LEU 48 2HB LEU 48 -19.144 -6.442 2.862 283 HG LEU 48 HG LEU 48 -17.156 -7.615 4.803 284 HD11 LEU 48 1HD1 LEU 48 -19.728 -8.681 3.656 285 HD12 LEU 48 2HD1 LEU 48 -19.459 -8.159 5.319 286 HD13 LEU 48 3HD1 LEU 48 -18.619 -9.576 4.692 287 HD21 LEU 48 3HD2 LEU 48 -16.267 -7.749 2.545 288 HD22 LEU 48 1HD2 LEU 48 -17.789 -8.426 1.966 289 HD23 LEU 48 2HD2 LEU 48 -16.789 -9.339 3.093 290 H LYS 49 H LYS 49 -17.691 -3.134 4.227 291 HA LYS 49 HA LYS 49 -19.505 -2.052 2.212 292 HB2 LYS 49 1HB LYS 49 -19.847 -0.242 3.904 293 HB3 LYS 49 2HB LYS 49 -20.274 -1.857 4.455 294 HG2 LYS 49 1HG LYS 49 -18.299 -2.024 5.761 295 HG3 LYS 49 2HG LYS 49 -17.634 -0.554 5.046 296 HD2 LYS 49 1HD LYS 49 -19.356 0.774 6.093 297 HD3 LYS 49 2HD LYS 49 -20.135 -0.680 6.722 298 HE2 LYS 49 1HE LYS 49 -17.287 -0.024 7.356 299 HE3 LYS 49 2HE LYS 49 -18.615 0.658 8.312 300 HZ1 LYS 49 3HZ LYS 49 -18.005 -1.256 9.434 301 HZ2 LYS 49 1HZ LYS 49 -17.755 -2.147 8.018 302 HZ3 LYS 49 2HZ LYS 49 -19.327 -1.782 8.521 303 H ILE 50 H ILE 50 -16.413 -2.178 2.018 304 HA ILE 50 HA ILE 50 -15.942 0.696 1.630 305 HB ILE 50 HB ILE 50 -13.862 -1.501 1.664 306 HG12 ILE 50 1HG1 ILE 50 -14.995 -1.339 3.835 307 HG13 ILE 50 2HG1 ILE 50 -13.335 -0.776 3.948 308 HG21 ILE 50 1HG2 ILE 50 -13.606 1.498 1.841 309 HG22 ILE 50 2HG2 ILE 50 -13.170 0.495 0.458 310 HG23 ILE 50 3HG2 ILE 50 -12.278 0.345 1.971 311 HD11 ILE 50 3HD1 ILE 50 -15.805 0.935 3.800 312 HD12 ILE 50 1HD1 ILE 50 -14.150 1.542 3.849 313 HD13 ILE 50 2HD1 ILE 50 -14.803 0.648 5.222 314 H GLU 51 H GLU 51 -15.406 1.513 -0.337 315 HA GLU 51 HA GLU 51 -15.507 -0.347 -2.611 316 HB2 GLU 51 1HB GLU 51 -17.210 1.762 -1.996 317 HB3 GLU 51 2HB GLU 51 -16.126 2.426 -3.208 318 HG2 GLU 51 1HG GLU 51 -17.736 -0.087 -3.515 319 HG3 GLU 51 2HG GLU 51 -18.160 1.498 -4.158 320 H GLN 52 H GLN 52 -14.367 0.487 -4.545 321 HA GLN 52 HA GLN 52 -11.866 1.716 -3.706 322 HB2 GLN 52 1HB GLN 52 -10.975 0.946 -5.870 323 HB3 GLN 52 2HB GLN 52 -11.579 -0.360 -4.868 324 HG2 GLN 52 1HG GLN 52 -13.549 -0.555 -6.205 325 HG3 GLN 52 2HG GLN 52 -13.119 0.882 -7.129 326 HE21 GLN 52 2HE2 GLN 52 -10.276 0.155 -7.235 327 HE22 GLN 52 1HE2 GLN 52 -10.167 -1.125 -8.388 328 H SER 53 H SER 53 -11.439 3.662 -4.108 329 HA SER 53 HA SER 53 -12.652 5.038 -6.396 330 HB2 SER 53 1HB SER 53 -12.764 7.105 -5.040 331 HB3 SER 53 2HB SER 53 -13.744 5.819 -4.334 332 HG SER 53 HG SER 53 -12.538 6.796 -2.722 333 HA PRO 54 HA PRO 54 -8.491 6.156 -7.568 334 HB2 PRO 54 1HB PRO 54 -9.522 8.897 -8.082 335 HB3 PRO 54 2HB PRO 54 -8.703 7.782 -9.182 336 HG2 PRO 54 1HG PRO 54 -11.315 8.232 -9.410 337 HG3 PRO 54 2HG PRO 54 -10.645 6.609 -9.654 338 HD2 PRO 54 1HD PRO 54 -12.088 7.726 -7.284 339 HD3 PRO 54 2HD PRO 54 -12.216 6.119 -8.032 340 H GLU 55 H GLU 55 -10.315 8.003 -5.304 341 HA GLU 55 HA GLU 55 -8.152 9.631 -4.348 342 HB2 GLU 55 1HB GLU 55 -10.795 8.991 -3.038 343 HB3 GLU 55 2HB GLU 55 -9.711 10.309 -2.615 344 HG2 GLU 55 1HG GLU 55 -10.114 11.372 -4.744 345 HG3 GLU 55 2HG GLU 55 -11.113 10.014 -5.260 346 H LEU 56 H LEU 56 -9.725 6.626 -3.444 347 HA LEU 56 HA LEU 56 -8.542 6.239 -0.938 348 HB2 LEU 56 1HB LEU 56 -10.475 4.966 -1.764 349 HB3 LEU 56 2HB LEU 56 -9.447 4.181 -2.951 350 HG LEU 56 HG LEU 56 -8.147 3.174 -1.077 351 HD11 LEU 56 1HD1 LEU 56 -10.365 4.318 0.611 352 HD12 LEU 56 2HD1 LEU 56 -8.664 4.785 0.659 353 HD13 LEU 56 3HD1 LEU 56 -9.148 3.163 1.154 354 HD21 LEU 56 3HD2 LEU 56 -9.851 1.505 -0.503 355 HD22 LEU 56 1HD2 LEU 56 -9.876 1.904 -2.221 356 HD23 LEU 56 2HD2 LEU 56 -11.102 2.571 -1.143 357 H SER 57 H SER 57 -7.553 5.091 -4.159 358 HA SER 57 HA SER 57 -5.330 3.615 -3.474 359 HB2 SER 57 1HB SER 57 -5.557 5.376 -5.921 360 HB3 SER 57 2HB SER 57 -4.636 3.879 -5.759 361 HG SER 57 HG SER 57 -6.883 3.888 -6.779 362 H ALA 58 H ALA 58 -5.127 6.902 -4.771 363 HA ALA 58 HA ALA 58 -2.584 7.580 -4.101 364 HB1 ALA 58 3HB ALA 58 -4.928 9.454 -3.859 365 HB2 ALA 58 1HB ALA 58 -4.108 9.031 -5.360 366 HB3 ALA 58 2HB ALA 58 -3.241 9.909 -4.100 367 H LYS 59 H LYS 59 -5.319 7.630 -1.889 368 HA LYS 59 HA LYS 59 -3.926 8.980 0.223 369 HB2 LYS 59 1HB LYS 59 -6.409 8.979 -0.062 370 HB3 LYS 59 2HB LYS 59 -6.422 7.287 0.405 371 HG2 LYS 59 1HG LYS 59 -5.578 7.865 2.608 372 HG3 LYS 59 2HG LYS 59 -5.482 9.565 2.139 373 HD2 LYS 59 1HD LYS 59 -7.924 9.537 1.719 374 HD3 LYS 59 2HD LYS 59 -7.979 7.881 2.319 375 HE2 LYS 59 1HE LYS 59 -7.167 8.629 4.493 376 HE3 LYS 59 2HE LYS 59 -7.053 10.283 3.892 377 HZ1 LYS 59 3HZ LYS 59 -9.460 10.252 3.531 378 HZ2 LYS 59 1HZ LYS 59 -9.069 9.977 5.154 379 HZ3 LYS 59 2HZ LYS 59 -9.546 8.691 4.171 380 H VAL 60 H VAL 60 -4.858 5.628 -0.338 381 HA VAL 60 HA VAL 60 -3.815 4.515 1.994 382 HB VAL 60 HB VAL 60 -5.355 3.383 0.304 383 HG11 VAL 60 1HG1 VAL 60 -2.735 2.645 -0.969 384 HG12 VAL 60 2HG1 VAL 60 -4.010 3.629 -1.684 385 HG13 VAL 60 3HG1 VAL 60 -4.297 1.920 -1.348 386 HG21 VAL 60 3HG2 VAL 60 -4.567 2.247 2.294 387 HG22 VAL 60 1HG2 VAL 60 -3.070 1.801 1.474 388 HG23 VAL 60 2HG2 VAL 60 -4.608 1.128 0.932 389 H VAL 61 H VAL 61 -2.047 5.754 -0.627 390 HA VAL 61 HA VAL 61 0.297 4.149 0.155 391 HB VAL 61 HB VAL 61 -0.152 4.096 -2.263 392 HG11 VAL 61 1HG1 VAL 61 -1.090 6.307 -2.583 393 HG12 VAL 61 2HG1 VAL 61 0.274 6.051 -3.672 394 HG13 VAL 61 3HG1 VAL 61 0.474 7.040 -2.226 395 HG21 VAL 61 3HG2 VAL 61 2.150 4.576 -3.026 396 HG22 VAL 61 1HG2 VAL 61 2.134 3.731 -1.479 397 HG23 VAL 61 2HG2 VAL 61 2.449 5.462 -1.535 398 H GLU 62 H GLU 62 -0.761 7.465 -0.259 399 HA GLU 62 HA GLU 62 1.579 8.831 0.403 400 HB2 GLU 62 1HB GLU 62 -1.265 9.587 1.080 401 HB3 GLU 62 2HB GLU 62 0.109 10.666 1.276 402 HG2 GLU 62 1HG GLU 62 0.547 10.507 -1.139 403 HG3 GLU 62 2HG GLU 62 -0.876 9.481 -1.310 404 H LYS 63 H LYS 63 -0.854 7.493 2.595 405 HA LYS 63 HA LYS 63 0.655 8.304 4.924 406 HB2 LYS 63 1HB LYS 63 -1.786 6.547 4.642 407 HB3 LYS 63 2HB LYS 63 -1.066 7.001 6.180 408 HG2 LYS 63 1HG LYS 63 -1.490 9.369 5.641 409 HG3 LYS 63 2HG LYS 63 -2.293 8.860 4.155 410 HD2 LYS 63 1HD LYS 63 -3.935 7.612 5.453 411 HD3 LYS 63 2HD LYS 63 -3.117 8.071 6.948 412 HE2 LYS 63 1HE LYS 63 -4.396 9.970 4.984 413 HE3 LYS 63 2HE LYS 63 -5.095 9.452 6.514 414 HZ1 LYS 63 3HZ LYS 63 -3.171 10.462 7.647 415 HZ2 LYS 63 1HZ LYS 63 -4.075 11.592 6.770 416 HZ3 LYS 63 2HZ LYS 63 -2.605 11.030 6.159 417 H LEU 64 H LEU 64 0.316 5.523 2.918 418 HA LEU 64 HA LEU 64 1.296 3.505 4.580 419 HB2 LEU 64 1HB LEU 64 0.216 3.129 2.420 420 HB3 LEU 64 2HB LEU 64 1.590 3.848 1.605 421 HG LEU 64 HG LEU 64 2.997 1.986 2.471 422 HD11 LEU 64 1HD1 LEU 64 0.331 0.894 3.337 423 HD12 LEU 64 2HD1 LEU 64 1.675 1.351 4.385 424 HD13 LEU 64 3HD1 LEU 64 1.840 -0.015 3.283 425 HD21 LEU 64 3HD2 LEU 64 0.609 1.253 0.785 426 HD22 LEU 64 1HD2 LEU 64 2.097 0.315 0.906 427 HD23 LEU 64 2HD2 LEU 64 2.132 1.935 0.214 428 H ASN 65 H ASN 65 3.081 5.315 2.055 429 HA ASN 65 HA ASN 65 5.583 4.292 2.808 430 HB2 ASN 65 1HB ASN 65 6.567 5.804 1.297 431 HB3 ASN 65 2HB ASN 65 5.009 5.398 0.588 432 HD21 ASN 65 2HD2 ASN 65 6.951 7.872 2.051 433 HD22 ASN 65 1HD2 ASN 65 5.906 9.198 1.683 434 H GLN 66 H GLN 66 3.674 6.828 4.118 435 HA GLN 66 HA GLN 66 5.744 8.297 5.363 436 HB2 GLN 66 1HB GLN 66 3.073 8.674 5.043 437 HB3 GLN 66 2HB GLN 66 3.120 8.147 6.718 438 HG2 GLN 66 1HG GLN 66 3.205 10.539 6.631 439 HG3 GLN 66 2HG GLN 66 4.755 9.922 7.206 440 HE21 GLN 66 2HE2 GLN 66 3.715 9.835 3.859 441 HE22 GLN 66 1HE2 GLN 66 4.879 10.968 3.274 442 H VAL 67 H VAL 67 3.504 5.826 6.564 443 HA VAL 67 HA VAL 67 4.667 5.522 9.102 444 HB VAL 67 HB VAL 67 3.141 3.459 7.486 445 HG11 VAL 67 1HG1 VAL 67 3.683 3.587 10.453 446 HG12 VAL 67 2HG1 VAL 67 4.384 2.433 9.320 447 HG13 VAL 67 3HG1 VAL 67 2.650 2.408 9.645 448 HG21 VAL 67 3HG2 VAL 67 1.874 5.522 7.818 449 HG22 VAL 67 1HG2 VAL 67 2.171 5.435 9.554 450 HG23 VAL 67 2HG2 VAL 67 1.188 4.202 8.764 451 H CYS 68 H CYS 68 5.211 3.741 6.069 452 HA CYS 68 HA CYS 68 7.128 1.957 7.147 453 HB2 CYS 68 1HB CYS 68 6.751 2.781 4.276 454 HB3 CYS 68 2HB CYS 68 7.490 1.294 4.873 455 H ALA 69 H ALA 69 7.357 5.240 6.364 456 HA ALA 69 HA ALA 69 10.207 5.176 5.773 457 HB1 ALA 69 3HB ALA 69 8.818 6.903 4.715 458 HB2 ALA 69 1HB ALA 69 10.049 7.629 5.748 459 HB3 ALA 69 2HB ALA 69 8.379 7.529 6.304 460 H LYS 70 H LYS 70 8.127 5.205 8.409 461 HA LYS 70 HA LYS 70 10.116 6.282 10.254 462 HB2 LYS 70 1HB LYS 70 7.250 5.423 10.721 463 HB3 LYS 70 2HB LYS 70 8.302 6.153 11.926 464 HG2 LYS 70 1HG LYS 70 8.393 8.210 10.663 465 HG3 LYS 70 2HG LYS 70 7.455 7.483 9.359 466 HD2 LYS 70 1HD LYS 70 6.017 8.883 10.716 467 HD3 LYS 70 2HD LYS 70 5.563 7.191 10.924 468 HE2 LYS 70 1HE LYS 70 6.711 7.096 13.041 469 HE3 LYS 70 2HE LYS 70 7.351 8.724 12.811 470 HZ1 LYS 70 3HZ LYS 70 4.479 8.021 13.116 471 HZ2 LYS 70 1HZ LYS 70 5.094 9.579 12.897 472 HZ3 LYS 70 2HZ LYS 70 5.458 8.720 14.301 473 H ASP 71 H ASP 71 8.686 3.322 9.162 474 HA ASP 71 HA ASP 71 10.465 1.840 10.940 475 HB2 ASP 71 1HB ASP 71 8.230 1.758 11.981 476 HB3 ASP 71 2HB ASP 71 7.559 1.119 10.484 477 HA PRO 72 HA PRO 72 11.266 0.324 6.794 478 HB2 PRO 72 1HB PRO 72 13.557 -0.977 7.381 479 HB3 PRO 72 2HB PRO 72 13.476 0.784 7.239 480 HG2 PRO 72 1HG PRO 72 13.459 -0.919 9.699 481 HG3 PRO 72 2HG PRO 72 14.342 0.585 9.387 482 HD2 PRO 72 1HD PRO 72 12.031 0.492 10.816 483 HD3 PRO 72 2HD PRO 72 12.515 1.901 9.848 484 H GLN 73 H GLN 73 10.703 -1.576 9.664 485 HA GLN 73 HA GLN 73 10.950 -4.151 8.520 486 HB2 GLN 73 1HB GLN 73 9.147 -3.378 10.801 487 HB3 GLN 73 2HB GLN 73 9.889 -4.940 10.497 488 HG2 GLN 73 1HG GLN 73 12.061 -4.050 11.008 489 HG3 GLN 73 2HG GLN 73 11.385 -2.430 11.192 490 HE21 GLN 73 2HE2 GLN 73 11.974 -2.184 13.267 491 HE22 GLN 73 1HE2 GLN 73 11.290 -3.081 14.584 492 H MET 74 H MET 74 8.682 -1.718 8.073 493 HA MET 74 HA MET 74 6.335 -3.317 7.792 494 HB2 MET 74 1HB MET 74 6.975 -0.501 6.931 495 HB3 MET 74 2HB MET 74 5.405 -1.247 6.694 496 HG2 MET 74 1HG MET 74 6.749 -0.769 9.345 497 HG3 MET 74 2HG MET 74 5.442 0.192 8.656 498 HE1 MET 74 3HE MET 74 5.068 -0.783 11.533 499 HE2 MET 74 1HE MET 74 3.463 -1.514 11.491 500 HE3 MET 74 2HE MET 74 3.774 -0.015 10.614 501 H LEU 75 H LEU 75 6.336 -4.864 6.284 502 HA LEU 75 HA LEU 75 7.488 -4.520 3.665 503 HB2 LEU 75 1HB LEU 75 5.596 -6.626 4.738 504 HB3 LEU 75 2HB LEU 75 6.384 -6.690 3.176 505 HG LEU 75 HG LEU 75 7.818 -6.749 5.833 506 HD11 LEU 75 1HD1 LEU 75 8.224 -9.103 5.334 507 HD12 LEU 75 2HD1 LEU 75 7.232 -8.970 3.882 508 HD13 LEU 75 3HD1 LEU 75 6.499 -8.766 5.471 509 HD21 LEU 75 3HD2 LEU 75 9.180 -5.786 4.062 510 HD22 LEU 75 1HD2 LEU 75 8.814 -7.155 3.014 511 HD23 LEU 75 2HD2 LEU 75 9.763 -7.395 4.479 512 H LEU 76 H LEU 76 6.276 -4.412 1.698 513 HA LEU 76 HA LEU 76 4.345 -2.433 1.675 514 HB2 LEU 76 1HB LEU 76 5.696 -3.052 -0.245 515 HB3 LEU 76 2HB LEU 76 4.830 -4.570 -0.392 516 HG LEU 76 HG LEU 76 2.757 -3.303 -0.899 517 HD11 LEU 76 1HD1 LEU 76 3.304 -1.227 0.245 518 HD12 LEU 76 2HD1 LEU 76 2.914 -0.931 -1.449 519 HD13 LEU 76 3HD1 LEU 76 4.594 -0.915 -0.915 520 HD21 LEU 76 3HD2 LEU 76 4.139 -4.164 -2.707 521 HD22 LEU 76 1HD2 LEU 76 5.114 -2.695 -2.680 522 HD23 LEU 76 2HD2 LEU 76 3.419 -2.618 -3.156 523 H ILE 77 H ILE 77 3.772 -5.904 1.126 524 HA ILE 77 HA ILE 77 0.993 -5.748 0.933 525 HB ILE 77 HB ILE 77 2.654 -8.077 1.918 526 HG12 ILE 77 1HG1 ILE 77 3.327 -7.331 -0.314 527 HG13 ILE 77 2HG1 ILE 77 2.507 -8.884 -0.405 528 HG21 ILE 77 1HG2 ILE 77 0.758 -9.482 1.239 529 HG22 ILE 77 2HG2 ILE 77 -0.174 -8.032 0.864 530 HG23 ILE 77 3HG2 ILE 77 0.317 -8.360 2.527 531 HD11 ILE 77 3HD1 ILE 77 0.460 -7.737 -1.135 532 HD12 ILE 77 1HD1 ILE 77 1.819 -7.441 -2.220 533 HD13 ILE 77 2HD1 ILE 77 1.318 -6.198 -1.076 534 H THR 78 H THR 78 2.990 -6.490 3.808 535 HA THR 78 HA THR 78 0.864 -6.875 5.576 536 HB THR 78 HB THR 78 3.586 -5.802 6.318 537 HG1 THR 78 HG1 THR 78 4.205 -8.018 6.386 538 HG21 THR 78 3HG2 THR 78 1.644 -7.611 7.773 539 HG22 THR 78 1HG2 THR 78 1.910 -5.902 8.123 540 HG23 THR 78 2HG2 THR 78 3.208 -7.068 8.382 541 H ALA 79 H ALA 79 2.921 -3.985 5.109 542 HA ALA 79 HA ALA 79 1.648 -2.306 6.873 543 HB1 ALA 79 3HB ALA 79 3.752 -1.806 5.760 544 HB2 ALA 79 1HB ALA 79 2.612 -0.466 5.653 545 HB3 ALA 79 2HB ALA 79 2.882 -1.511 4.258 546 H ILE 80 H ILE 80 0.683 -2.987 3.516 547 HA ILE 80 HA ILE 80 -1.332 -1.022 3.369 548 HB ILE 80 HB ILE 80 -1.204 -3.722 1.984 549 HG12 ILE 80 1HG1 ILE 80 -0.534 -0.942 0.990 550 HG13 ILE 80 2HG1 ILE 80 0.642 -2.169 1.444 551 HG21 ILE 80 1HG2 ILE 80 -2.851 -2.800 0.402 552 HG22 ILE 80 2HG2 ILE 80 -3.001 -1.361 1.410 553 HG23 ILE 80 3HG2 ILE 80 -3.508 -2.930 2.035 554 HD11 ILE 80 3HD1 ILE 80 -1.334 -2.378 -0.820 555 HD12 ILE 80 1HD1 ILE 80 -0.134 -3.593 -0.378 556 HD13 ILE 80 2HD1 ILE 80 0.384 -2.015 -0.973 557 H ASP 81 H ASP 81 -1.312 -4.295 4.648 558 HA ASP 81 HA ASP 81 -4.068 -4.536 5.210 559 HB2 ASP 81 1HB ASP 81 -2.690 -6.507 5.204 560 HB3 ASP 81 2HB ASP 81 -1.646 -5.850 6.458 561 H ASP 82 H ASP 82 -1.449 -2.980 6.908 562 HA ASP 82 HA ASP 82 -3.042 -2.542 9.283 563 HB2 ASP 82 1HB ASP 82 -0.522 -2.833 9.317 564 HB3 ASP 82 2HB ASP 82 -0.409 -1.220 8.618 565 H THR 83 H THR 83 -2.139 -0.783 6.393 566 HA THR 83 HA THR 83 -2.958 1.783 7.264 567 HB THR 83 HB THR 83 -2.790 0.731 4.425 568 HG1 THR 83 HG1 THR 83 -0.802 0.561 5.653 569 HG21 THR 83 3HG2 THR 83 -2.670 3.554 5.509 570 HG22 THR 83 1HG2 THR 83 -4.027 2.851 4.627 571 HG23 THR 83 2HG2 THR 83 -2.477 3.087 3.818 572 H MET 84 H MET 84 -4.592 -0.897 5.669 573 HA MET 84 HA MET 84 -7.024 0.478 5.151 574 HB2 MET 84 1HB MET 84 -8.032 -1.860 5.042 575 HB3 MET 84 2HB MET 84 -6.728 -1.521 3.921 576 HG2 MET 84 1HG MET 84 -5.294 -2.932 4.938 577 HG3 MET 84 2HG MET 84 -6.033 -2.728 6.524 578 HE1 MET 84 3HE MET 84 -9.070 -3.268 6.059 579 HE2 MET 84 1HE MET 84 -8.067 -3.898 7.366 580 HE3 MET 84 2HE MET 84 -9.095 -4.990 6.438 581 H ARG 85 H ARG 85 -5.611 -0.654 7.980 582 HA ARG 85 HA ARG 85 -8.073 -0.897 9.513 583 HB2 ARG 85 1HB ARG 85 -5.203 -0.742 10.474 584 HB3 ARG 85 2HB ARG 85 -6.594 -1.150 11.465 585 HG2 ARG 85 1HG ARG 85 -6.920 -3.198 10.249 586 HG3 ARG 85 2HG ARG 85 -5.642 -2.765 9.111 587 HD2 ARG 85 1HD ARG 85 -4.780 -4.343 10.729 588 HD3 ARG 85 2HD ARG 85 -4.023 -2.770 10.973 589 HE ARG 85 HE ARG 85 -6.312 -3.596 12.613 590 HH11 ARG 85 1HH1 ARG 85 -2.936 -2.561 12.365 591 HH12 ARG 85 2HH1 ARG 85 -2.751 -2.411 14.072 592 HH21 ARG 85 1HH2 ARG 85 -6.010 -3.384 14.889 593 HH22 ARG 85 2HH2 ARG 85 -4.477 -2.879 15.507 594 H ALA 86 H ALA 86 -5.369 1.340 9.145 595 HA ALA 86 HA ALA 86 -6.205 3.282 10.993 596 HB1 ALA 86 3HB ALA 86 -4.621 4.763 9.886 597 HB2 ALA 86 1HB ALA 86 -4.513 3.651 8.523 598 HB3 ALA 86 2HB ALA 86 -3.924 3.159 10.111 599 H ILE 87 H ILE 87 -6.857 2.906 7.528 600 HA ILE 87 HA ILE 87 -8.458 5.336 7.466 601 HB ILE 87 HB ILE 87 -9.027 4.683 5.153 602 HG12 ILE 87 1HG1 ILE 87 -7.112 2.391 5.576 603 HG13 ILE 87 2HG1 ILE 87 -8.864 2.220 5.550 604 HG21 ILE 87 1HG2 ILE 87 -6.761 5.002 4.217 605 HG22 ILE 87 2HG2 ILE 87 -6.074 4.661 5.807 606 HG23 ILE 87 3HG2 ILE 87 -7.080 6.090 5.568 607 HD11 ILE 87 3HD1 ILE 87 -7.887 1.588 3.427 608 HD12 ILE 87 1HD1 ILE 87 -7.145 3.182 3.275 609 HD13 ILE 87 2HD1 ILE 87 -8.901 3.018 3.250 610 H GLY 88 H GLY 88 -9.023 2.558 8.875 611 HA2 GLY 88 1HA GLY 88 -11.274 1.348 8.018 612 HA3 GLY 88 2HA GLY 88 -10.928 1.617 9.714 613 H LYS 89 H LYS 89 -13.378 1.545 8.188 614 HA LYS 89 HA LYS 89 -14.419 4.258 8.678 615 HB2 LYS 89 1HB LYS 89 -15.532 2.113 6.854 616 HB3 LYS 89 2HB LYS 89 -16.306 3.658 7.168 617 HG2 LYS 89 1HG LYS 89 -13.595 3.309 5.893 618 HG3 LYS 89 2HG LYS 89 -15.101 3.604 5.023 619 HD2 LYS 89 1HD LYS 89 -15.348 5.753 6.162 620 HD3 LYS 89 2HD LYS 89 -13.867 5.449 7.073 621 HE2 LYS 89 1HE LYS 89 -12.586 5.414 4.994 622 HE3 LYS 89 2HE LYS 89 -14.061 5.685 4.071 623 HZ1 LYS 89 3HZ LYS 89 -12.761 7.723 4.419 624 HZ2 LYS 89 1HZ LYS 89 -12.963 7.565 6.090 625 HZ3 LYS 89 2HZ LYS 89 -14.303 7.834 5.098 626 H LYS 90 H LYS 90 -15.012 4.173 10.750 627 HA LYS 90 HA LYS 90 -16.451 1.852 11.739 628 HB2 LYS 90 1HB LYS 90 -14.601 2.874 13.067 629 HB3 LYS 90 2HB LYS 90 -15.574 4.325 13.234 630 HG2 LYS 90 1HG LYS 90 -17.250 3.104 14.478 631 HG3 LYS 90 2HG LYS 90 -16.367 1.596 14.233 632 HD2 LYS 90 1HD LYS 90 -14.454 2.556 15.465 633 HD3 LYS 90 2HD LYS 90 -15.402 4.014 15.758 634 HE2 LYS 90 1HE LYS 90 -17.033 2.741 17.015 635 HE3 LYS 90 2HE LYS 90 -16.182 1.240 16.647 636 HZ1 LYS 90 3HZ LYS 90 -15.628 1.987 18.849 637 HZ2 LYS 90 1HZ LYS 90 -15.132 3.496 18.266 638 HZ3 LYS 90 2HZ LYS 90 -14.266 2.103 17.860 Start of MODEL 8 1 H ASN 7 H ASN 7 9.801 -20.050 3.279 2 HA ASN 7 HA ASN 7 12.194 -18.765 2.139 3 HB2 ASN 7 1HB ASN 7 12.540 -20.818 0.810 4 HB3 ASN 7 2HB ASN 7 12.610 -21.124 2.543 5 HD21 ASN 7 2HD2 ASN 7 11.995 -22.865 0.229 6 HD22 ASN 7 1HD2 ASN 7 10.467 -23.575 0.615 7 H GLY 8 H GLY 8 8.860 -19.617 1.624 8 HA2 GLY 8 1HA GLY 8 8.995 -18.787 -1.174 9 HA3 GLY 8 2HA GLY 8 7.605 -19.496 -0.363 10 H LEU 9 H LEU 9 9.458 -16.575 -0.837 11 HA LEU 9 HA LEU 9 7.199 -15.041 0.240 12 HB2 LEU 9 1HB LEU 9 10.124 -14.298 0.096 13 HB3 LEU 9 2HB LEU 9 8.857 -13.173 0.525 14 HG LEU 9 HG LEU 9 8.325 -14.753 2.471 15 HD11 LEU 9 1HD1 LEU 9 11.063 -15.808 1.773 16 HD12 LEU 9 2HD1 LEU 9 9.553 -16.710 1.683 17 HD13 LEU 9 3HD1 LEU 9 10.162 -16.166 3.245 18 HD21 LEU 9 3HD2 LEU 9 10.970 -13.305 2.401 19 HD22 LEU 9 1HD2 LEU 9 10.101 -13.790 3.858 20 HD23 LEU 9 2HD2 LEU 9 9.399 -12.594 2.770 21 HA PRO 10 HA PRO 10 6.613 -14.037 -4.131 22 HB2 PRO 10 1HB PRO 10 4.693 -12.162 -2.833 23 HB3 PRO 10 2HB PRO 10 4.431 -13.288 -4.170 24 HG2 PRO 10 1HG PRO 10 3.487 -13.842 -1.751 25 HG3 PRO 10 2HG PRO 10 4.202 -15.118 -2.757 26 HD2 PRO 10 1HD PRO 10 5.370 -13.672 -0.414 27 HD3 PRO 10 2HD PRO 10 5.503 -15.386 -0.869 28 H SER 11 H SER 11 7.051 -12.182 -5.420 29 HA SER 11 HA SER 11 9.081 -10.510 -4.516 30 HB2 SER 11 1HB SER 11 8.474 -9.156 -6.628 31 HB3 SER 11 2HB SER 11 8.962 -10.838 -6.838 32 HG SER 11 HG SER 11 6.419 -9.653 -7.102 33 H GLU 12 H GLU 12 5.628 -9.959 -4.694 34 HA GLU 12 HA GLU 12 5.645 -7.198 -4.073 35 HB2 GLU 12 1HB GLU 12 3.385 -9.002 -3.287 36 HB3 GLU 12 2HB GLU 12 3.325 -7.364 -3.917 37 HG2 GLU 12 1HG GLU 12 3.947 -9.872 -5.462 38 HG3 GLU 12 2HG GLU 12 2.477 -8.907 -5.549 39 H THR 13 H THR 13 5.987 -10.049 -2.190 40 HA THR 13 HA THR 13 5.428 -8.714 0.343 41 HB THR 13 HB THR 13 6.276 -11.579 -0.160 42 HG1 THR 13 HG1 THR 13 3.904 -10.297 -0.628 43 HG21 THR 13 3HG2 THR 13 6.519 -10.826 2.163 44 HG22 THR 13 1HG2 THR 13 5.220 -12.006 2.012 45 HG23 THR 13 2HG2 THR 13 4.838 -10.291 2.171 46 H TYR 14 H TYR 14 7.992 -9.263 -1.754 47 HA TYR 14 HA TYR 14 10.023 -9.625 0.249 48 HB2 TYR 14 1HB TYR 14 10.122 -10.753 -1.961 49 HB3 TYR 14 2HB TYR 14 10.288 -9.178 -2.727 50 HD1 TYR 14 HD1 TYR 14 11.883 -11.450 -0.288 51 HD2 TYR 14 HD2 TYR 14 12.386 -8.199 -2.968 52 HE1 TYR 14 HE1 TYR 14 14.297 -11.568 0.044 53 HE2 TYR 14 HE2 TYR 14 14.801 -8.295 -2.655 54 HH TYR 14 HH TYR 14 16.350 -10.928 -1.091 55 H ILE 15 H ILE 15 8.463 -7.016 -1.333 56 HA ILE 15 HA ILE 15 10.641 -5.229 -0.548 57 HB ILE 15 HB ILE 15 9.476 -3.563 -2.140 58 HG12 ILE 15 1HG1 ILE 15 8.407 -4.820 -4.109 59 HG13 ILE 15 2HG1 ILE 15 8.211 -6.165 -2.996 60 HG21 ILE 15 1HG2 ILE 15 10.720 -4.428 -4.057 61 HG22 ILE 15 2HG2 ILE 15 10.858 -5.994 -3.260 62 HG23 ILE 15 3HG2 ILE 15 11.652 -4.578 -2.565 63 HD11 ILE 15 3HD1 ILE 15 7.026 -3.415 -2.677 64 HD12 ILE 15 1HD1 ILE 15 6.821 -4.761 -1.555 65 HD13 ILE 15 2HD1 ILE 15 6.169 -4.867 -3.192 66 H THR 16 H THR 16 9.829 -2.949 0.014 67 HA THR 16 HA THR 16 7.649 -3.329 1.949 68 HB THR 16 HB THR 16 8.728 -1.581 3.303 69 HG1 THR 16 HG1 THR 16 11.133 -1.403 2.353 70 HG21 THR 16 3HG2 THR 16 10.691 -2.876 4.007 71 HG22 THR 16 1HG2 THR 16 10.609 -3.814 2.514 72 HG23 THR 16 2HG2 THR 16 9.311 -3.930 3.703 73 H CYS 17 H CYS 17 6.612 -1.180 2.591 74 HA CYS 17 HA CYS 17 5.642 0.021 0.184 75 HB2 CYS 17 1HB CYS 17 3.835 0.470 1.440 76 HB3 CYS 17 2HB CYS 17 4.641 -0.324 2.782 77 H ALA 18 H ALA 18 8.153 0.697 2.410 78 HA ALA 18 HA ALA 18 8.439 3.477 1.807 79 HB1 ALA 18 3HB ALA 18 9.354 2.513 3.870 80 HB2 ALA 18 1HB ALA 18 10.621 3.266 2.902 81 HB3 ALA 18 2HB ALA 18 10.449 1.511 2.916 82 H GLU 19 H GLU 19 9.927 0.450 0.672 83 HA GLU 19 HA GLU 19 11.724 1.516 -1.169 84 HB2 GLU 19 1HB GLU 19 11.688 -0.835 -0.398 85 HB3 GLU 19 2HB GLU 19 10.202 -1.098 -1.294 86 HG2 GLU 19 1HG GLU 19 12.132 -2.005 -2.463 87 HG3 GLU 19 2HG GLU 19 11.367 -0.713 -3.386 88 H ALA 20 H ALA 20 8.283 1.174 -1.285 89 HA ALA 20 HA ALA 20 7.857 1.210 -4.030 90 HB1 ALA 20 3HB ALA 20 6.120 2.364 -1.850 91 HB2 ALA 20 1HB ALA 20 6.095 0.697 -2.420 92 HB3 ALA 20 2HB ALA 20 5.602 2.003 -3.496 93 H ASN 21 H ASN 21 8.743 3.726 -1.800 94 HA ASN 21 HA ASN 21 8.019 5.991 -3.384 95 HB2 ASN 21 1HB ASN 21 10.045 5.652 -1.164 96 HB3 ASN 21 2HB ASN 21 9.720 7.197 -1.937 97 HD21 ASN 21 2HD2 ASN 21 9.379 6.375 0.831 98 HD22 ASN 21 1HD2 ASN 21 7.715 6.659 1.205 99 H GLU 22 H GLU 22 10.946 4.168 -2.942 100 HA GLU 22 HA GLU 22 12.630 5.595 -4.656 101 HB2 GLU 22 1HB GLU 22 12.677 2.618 -4.149 102 HB3 GLU 22 2HB GLU 22 14.013 3.597 -4.742 103 HG2 GLU 22 1HG GLU 22 12.731 3.732 -2.024 104 HG3 GLU 22 2HG GLU 22 14.351 3.151 -2.419 105 H MET 23 H MET 23 10.728 2.679 -5.321 106 HA MET 23 HA MET 23 11.156 2.565 -8.065 107 HB2 MET 23 1HB MET 23 8.691 1.749 -6.513 108 HB3 MET 23 2HB MET 23 9.093 1.219 -8.140 109 HG2 MET 23 1HG MET 23 10.981 -0.005 -7.356 110 HG3 MET 23 2HG MET 23 10.831 0.688 -5.744 111 HE1 MET 23 3HE MET 23 9.281 -1.762 -8.385 112 HE2 MET 23 1HE MET 23 7.939 -0.653 -8.089 113 HE3 MET 23 2HE MET 23 7.835 -2.329 -7.551 114 H ALA 24 H ALA 24 8.625 4.144 -6.243 115 HA ALA 24 HA ALA 24 6.910 5.124 -8.118 116 HB1 ALA 24 3HB ALA 24 7.867 6.755 -5.778 117 HB2 ALA 24 1HB ALA 24 6.636 5.492 -5.712 118 HB3 ALA 24 2HB ALA 24 6.347 6.960 -6.649 119 H LYS 25 H LYS 25 10.117 6.414 -7.548 120 HA LYS 25 HA LYS 25 9.903 8.819 -8.937 121 HB2 LYS 25 1HB LYS 25 12.298 7.001 -8.706 122 HB3 LYS 25 2HB LYS 25 12.350 8.671 -9.251 123 HG2 LYS 25 1HG LYS 25 11.489 9.389 -7.063 124 HG3 LYS 25 2HG LYS 25 11.510 7.709 -6.524 125 HD2 LYS 25 1HD LYS 25 13.918 7.615 -6.878 126 HD3 LYS 25 2HD LYS 25 13.910 9.281 -7.458 127 HE2 LYS 25 1HE LYS 25 14.636 9.260 -5.165 128 HE3 LYS 25 2HE LYS 25 13.036 9.993 -5.250 129 HZ1 LYS 25 3HZ LYS 25 13.145 8.485 -3.405 130 HZ2 LYS 25 1HZ LYS 25 13.671 7.224 -4.394 131 HZ3 LYS 25 2HZ LYS 25 12.104 7.837 -4.560 132 H THR 26 H THR 26 10.054 5.611 -10.187 133 HA THR 26 HA THR 26 10.059 6.713 -12.923 134 HB THR 26 HB THR 26 11.573 4.230 -12.088 135 HG1 THR 26 HG1 THR 26 12.327 6.897 -12.655 136 HG21 THR 26 3HG2 THR 26 10.654 4.067 -14.364 137 HG22 THR 26 1HG2 THR 26 12.410 4.234 -14.400 138 HG23 THR 26 2HG2 THR 26 11.384 5.619 -14.771 139 H ASP 27 H ASP 27 9.186 4.088 -10.789 140 HA ASP 27 HA ASP 27 7.309 3.055 -12.807 141 HB2 ASP 27 1HB ASP 27 8.547 1.668 -10.415 142 HB3 ASP 27 2HB ASP 27 7.368 0.946 -11.502 143 H SER 28 H SER 28 6.487 5.316 -11.489 144 HA SER 28 HA SER 28 5.222 4.915 -9.047 145 HB2 SER 28 1HB SER 28 3.831 6.917 -9.832 146 HB3 SER 28 2HB SER 28 5.578 7.144 -9.725 147 HG SER 28 HG SER 28 4.066 7.557 -11.804 148 H ALA 29 H ALA 29 4.110 4.366 -12.376 149 HA ALA 29 HA ALA 29 1.423 3.925 -11.797 150 HB1 ALA 29 3HB ALA 29 1.358 2.733 -13.929 151 HB2 ALA 29 1HB ALA 29 3.120 2.686 -13.960 152 HB3 ALA 29 2HB ALA 29 2.276 4.232 -14.064 153 H GLN 30 H GLN 30 4.209 1.751 -11.713 154 HA GLN 30 HA GLN 30 2.848 -0.672 -11.376 155 HB2 GLN 30 1HB GLN 30 5.556 0.159 -10.317 156 HB3 GLN 30 2HB GLN 30 4.955 -1.491 -10.338 157 HG2 GLN 30 1HG GLN 30 5.421 0.230 -12.763 158 HG3 GLN 30 2HG GLN 30 6.503 -1.031 -12.174 159 HE21 GLN 30 2HE2 GLN 30 5.904 -3.183 -12.394 160 HE22 GLN 30 1HE2 GLN 30 4.651 -3.680 -13.474 161 H VAL 31 H VAL 31 4.560 1.090 -8.797 162 HA VAL 31 HA VAL 31 3.420 -0.215 -6.672 163 HB VAL 31 HB VAL 31 4.080 1.693 -5.258 164 HG11 VAL 31 1HG1 VAL 31 6.475 1.637 -5.793 165 HG12 VAL 31 2HG1 VAL 31 6.098 0.931 -7.364 166 HG13 VAL 31 3HG1 VAL 31 5.739 0.038 -5.886 167 HG21 VAL 31 3HG2 VAL 31 5.163 3.653 -6.265 168 HG22 VAL 31 1HG2 VAL 31 3.472 3.529 -6.750 169 HG23 VAL 31 2HG2 VAL 31 4.748 3.053 -7.870 170 H ALA 32 H ALA 32 2.052 2.464 -8.502 171 HA ALA 32 HA ALA 32 0.032 3.100 -6.611 172 HB1 ALA 32 3HB ALA 32 -1.036 4.343 -8.400 173 HB2 ALA 32 1HB ALA 32 0.003 3.563 -9.594 174 HB3 ALA 32 2HB ALA 32 0.700 4.656 -8.396 175 H GLU 33 H GLU 33 0.203 0.899 -9.367 176 HA GLU 33 HA GLU 33 -2.534 0.139 -9.203 177 HB2 GLU 33 1HB GLU 33 -0.176 -1.219 -10.505 178 HB3 GLU 33 2HB GLU 33 -1.837 -1.771 -10.657 179 HG2 GLU 33 1HG GLU 33 -0.714 0.855 -11.598 180 HG3 GLU 33 2HG GLU 33 -1.216 -0.504 -12.600 181 H ILE 34 H ILE 34 0.374 -0.894 -7.611 182 HA ILE 34 HA ILE 34 -0.664 -3.407 -6.721 183 HB ILE 34 HB ILE 34 1.628 -1.776 -5.585 184 HG12 ILE 34 1HG1 ILE 34 1.668 -4.097 -7.532 185 HG13 ILE 34 2HG1 ILE 34 1.928 -2.411 -7.964 186 HG21 ILE 34 1HG2 ILE 34 0.778 -3.411 -3.984 187 HG22 ILE 34 2HG2 ILE 34 2.366 -3.892 -4.581 188 HG23 ILE 34 3HG2 ILE 34 0.918 -4.686 -5.195 189 HD11 ILE 34 3HD1 ILE 34 4.027 -3.616 -7.813 190 HD12 ILE 34 1HD1 ILE 34 3.669 -4.061 -6.145 191 HD13 ILE 34 2HD1 ILE 34 3.933 -2.369 -6.568 192 H VAL 35 H VAL 35 -0.323 -0.199 -5.334 193 HA VAL 35 HA VAL 35 -1.540 -0.949 -2.850 194 HB VAL 35 HB VAL 35 -1.575 1.417 -2.268 195 HG11 VAL 35 1HG1 VAL 35 0.484 0.215 -1.914 196 HG12 VAL 35 2HG1 VAL 35 0.837 1.873 -2.399 197 HG13 VAL 35 3HG1 VAL 35 1.001 0.560 -3.564 198 HG21 VAL 35 3HG2 VAL 35 -0.695 3.122 -3.809 199 HG22 VAL 35 1HG2 VAL 35 -2.186 2.389 -4.404 200 HG23 VAL 35 2HG2 VAL 35 -0.633 1.907 -5.085 201 H ALA 36 H ALA 36 -2.739 0.240 -5.887 202 HA ALA 36 HA ALA 36 -5.339 0.894 -4.818 203 HB1 ALA 36 3HB ALA 36 -5.955 1.429 -7.106 204 HB2 ALA 36 1HB ALA 36 -4.446 0.727 -7.692 205 HB3 ALA 36 2HB ALA 36 -4.412 2.176 -6.690 206 H VAL 37 H VAL 37 -4.245 -1.457 -7.297 207 HA VAL 37 HA VAL 37 -6.657 -2.788 -7.540 208 HB VAL 37 HB VAL 37 -3.882 -3.905 -7.982 209 HG11 VAL 37 1HG1 VAL 37 -4.964 -5.611 -9.363 210 HG12 VAL 37 2HG1 VAL 37 -6.546 -4.976 -8.914 211 HG13 VAL 37 3HG1 VAL 37 -5.511 -5.711 -7.688 212 HG21 VAL 37 3HG2 VAL 37 -4.406 -1.959 -9.362 213 HG22 VAL 37 1HG2 VAL 37 -5.905 -2.725 -9.890 214 HG23 VAL 37 2HG2 VAL 37 -4.349 -3.424 -10.342 215 H MET 38 H MET 38 -3.830 -4.225 -5.671 216 HA MET 38 HA MET 38 -5.579 -6.074 -4.490 217 HB2 MET 38 1HB MET 38 -3.149 -6.435 -4.824 218 HB3 MET 38 2HB MET 38 -2.827 -5.208 -3.608 219 HG2 MET 38 1HG MET 38 -4.268 -6.667 -2.057 220 HG3 MET 38 2HG MET 38 -4.027 -7.928 -3.263 221 HE1 MET 38 3HE MET 38 -1.556 -5.077 -2.037 222 HE2 MET 38 1HE MET 38 -0.704 -5.947 -0.763 223 HE3 MET 38 2HE MET 38 -2.427 -5.613 -0.601 224 H GLY 39 H GLY 39 -4.305 -2.945 -3.536 225 HA2 GLY 39 1HA GLY 39 -4.886 -3.013 -0.812 226 HA3 GLY 39 2HA GLY 39 -4.824 -1.553 -1.786 227 H ASN 40 H ASN 40 -6.898 -1.566 -3.364 228 HA ASN 40 HA ASN 40 -9.082 -0.961 -1.752 229 HB2 ASN 40 1HB ASN 40 -10.118 -0.280 -3.666 230 HB3 ASN 40 2HB ASN 40 -8.507 -0.513 -4.342 231 HD21 ASN 40 2HD2 ASN 40 -8.126 -2.236 -5.686 232 HD22 ASN 40 1HD2 ASN 40 -9.389 -3.176 -6.397 233 H ALA 41 H ALA 41 -8.242 -3.983 -3.314 234 HA ALA 41 HA ALA 41 -10.729 -5.263 -2.787 235 HB1 ALA 41 3HB ALA 41 -8.022 -6.484 -3.335 236 HB2 ALA 41 1HB ALA 41 -9.217 -6.042 -4.554 237 HB3 ALA 41 2HB ALA 41 -9.572 -7.324 -3.398 238 H SER 42 H SER 42 -7.565 -5.333 -1.274 239 HA SER 42 HA SER 42 -8.069 -7.102 0.808 240 HB2 SER 42 1HB SER 42 -6.230 -4.694 0.895 241 HB3 SER 42 2HB SER 42 -6.153 -6.096 1.963 242 HG SER 42 HG SER 42 -5.743 -6.039 -0.842 243 H VAL 43 H VAL 43 -8.483 -3.555 0.825 244 HA VAL 43 HA VAL 43 -9.429 -3.492 3.503 245 HB VAL 43 HB VAL 43 -10.164 -1.190 3.066 246 HG11 VAL 43 1HG1 VAL 43 -7.465 -1.841 1.895 247 HG12 VAL 43 2HG1 VAL 43 -7.840 -1.532 3.590 248 HG13 VAL 43 3HG1 VAL 43 -7.991 -0.236 2.405 249 HG21 VAL 43 3HG2 VAL 43 -9.442 -1.761 0.193 250 HG22 VAL 43 1HG2 VAL 43 -9.831 -0.169 0.849 251 HG23 VAL 43 2HG2 VAL 43 -11.057 -1.438 0.825 252 H ALA 44 H ALA 44 -11.063 -3.832 0.381 253 HA ALA 44 HA ALA 44 -13.684 -3.580 1.471 254 HB1 ALA 44 3HB ALA 44 -13.206 -3.075 -0.875 255 HB2 ALA 44 1HB ALA 44 -14.430 -4.336 -0.733 256 HB3 ALA 44 2HB ALA 44 -12.769 -4.759 -1.154 257 H SER 45 H SER 45 -11.375 -5.987 1.638 258 HA SER 45 HA SER 45 -13.249 -8.214 1.605 259 HB2 SER 45 1HB SER 45 -10.277 -8.152 2.179 260 HB3 SER 45 2HB SER 45 -11.258 -9.613 2.077 261 HG SER 45 HG SER 45 -10.914 -7.710 -0.005 262 H ARG 46 H ARG 46 -12.365 -5.891 3.800 263 HA ARG 46 HA ARG 46 -12.688 -7.754 6.055 264 HB2 ARG 46 1HB ARG 46 -11.605 -4.956 6.199 265 HB3 ARG 46 2HB ARG 46 -11.481 -6.224 7.407 266 HG2 ARG 46 1HG ARG 46 -10.165 -6.332 4.707 267 HG3 ARG 46 2HG ARG 46 -9.384 -5.754 6.173 268 HD2 ARG 46 1HD ARG 46 -9.921 -7.995 7.196 269 HD3 ARG 46 2HD ARG 46 -10.401 -8.516 5.579 270 HE ARG 46 HE ARG 46 -7.736 -7.386 5.852 271 HH11 ARG 46 1HH1 ARG 46 -9.700 -10.286 5.617 272 HH12 ARG 46 2HH1 ARG 46 -8.376 -11.299 5.178 273 HH21 ARG 46 1HH2 ARG 46 -5.981 -8.702 5.304 274 HH22 ARG 46 2HH2 ARG 46 -6.239 -10.399 5.007 275 H ASP 47 H ASP 47 -13.990 -4.912 4.525 276 HA ASP 47 HA ASP 47 -16.085 -4.890 6.595 277 HB2 ASP 47 1HB ASP 47 -14.801 -2.545 5.213 278 HB3 ASP 47 2HB ASP 47 -16.326 -2.418 6.087 279 H LEU 48 H LEU 48 -15.329 -4.699 3.221 280 HA LEU 48 HA LEU 48 -16.576 -4.985 1.353 281 HB2 LEU 48 1HB LEU 48 -17.594 -6.821 2.706 282 HB3 LEU 48 2HB LEU 48 -18.827 -5.700 3.240 283 HG LEU 48 HG LEU 48 -19.616 -5.485 0.912 284 HD11 LEU 48 1HD1 LEU 48 -17.531 -5.948 -0.241 285 HD12 LEU 48 2HD1 LEU 48 -18.789 -7.068 -0.768 286 HD13 LEU 48 3HD1 LEU 48 -17.548 -7.602 0.367 287 HD21 LEU 48 3HD2 LEU 48 -20.612 -7.702 0.759 288 HD22 LEU 48 1HD2 LEU 48 -20.613 -7.128 2.427 289 HD23 LEU 48 2HD2 LEU 48 -19.426 -8.323 1.907 290 H LYS 49 H LYS 49 -16.913 -2.564 3.399 291 HA LYS 49 HA LYS 49 -19.135 -1.254 1.985 292 HB2 LYS 49 1HB LYS 49 -17.886 -0.669 4.673 293 HB3 LYS 49 2HB LYS 49 -19.126 0.327 3.925 294 HG2 LYS 49 1HG LYS 49 -20.715 -1.471 4.032 295 HG3 LYS 49 2HG LYS 49 -19.474 -2.583 4.611 296 HD2 LYS 49 1HD LYS 49 -20.326 -0.096 6.091 297 HD3 LYS 49 2HD LYS 49 -21.003 -1.697 6.390 298 HE2 LYS 49 1HE LYS 49 -18.749 -2.524 6.942 299 HE3 LYS 49 2HE LYS 49 -18.101 -0.906 6.679 300 HZ1 LYS 49 3HZ LYS 49 -20.146 -1.598 8.715 301 HZ2 LYS 49 1HZ LYS 49 -19.428 -0.084 8.487 302 HZ3 LYS 49 2HZ LYS 49 -18.501 -1.391 9.028 303 H ILE 50 H ILE 50 -16.197 -1.571 1.280 304 HA ILE 50 HA ILE 50 -15.600 1.289 0.933 305 HB ILE 50 HB ILE 50 -13.567 -0.957 1.123 306 HG12 ILE 50 1HG1 ILE 50 -14.264 1.171 3.164 307 HG13 ILE 50 2HG1 ILE 50 -14.709 -0.526 3.283 308 HG21 ILE 50 1HG2 ILE 50 -13.221 2.044 1.029 309 HG22 ILE 50 2HG2 ILE 50 -12.823 0.910 -0.260 310 HG23 ILE 50 3HG2 ILE 50 -11.924 0.869 1.256 311 HD11 ILE 50 3HD1 ILE 50 -11.906 0.571 3.269 312 HD12 ILE 50 1HD1 ILE 50 -12.350 -1.132 3.401 313 HD13 ILE 50 2HD1 ILE 50 -12.795 -0.002 4.681 314 H GLU 51 H GLU 51 -14.947 1.945 -1.084 315 HA GLU 51 HA GLU 51 -15.030 -0.081 -3.213 316 HB2 GLU 51 1HB GLU 51 -17.133 1.272 -3.102 317 HB3 GLU 51 2HB GLU 51 -16.173 2.711 -3.409 318 HG2 GLU 51 1HG GLU 51 -15.527 1.856 -5.580 319 HG3 GLU 51 2HG GLU 51 -16.399 0.356 -5.270 320 H GLN 52 H GLN 52 -13.741 0.366 -5.053 321 HA GLN 52 HA GLN 52 -11.266 1.584 -4.401 322 HB2 GLN 52 1HB GLN 52 -10.603 0.976 -6.702 323 HB3 GLN 52 2HB GLN 52 -11.273 -0.369 -5.793 324 HG2 GLN 52 1HG GLN 52 -13.390 -0.125 -6.969 325 HG3 GLN 52 2HG GLN 52 -12.744 1.254 -7.859 326 HE21 GLN 52 2HE2 GLN 52 -13.021 0.270 -9.837 327 HE22 GLN 52 1HE2 GLN 52 -12.035 -1.050 -10.363 328 H SER 53 H SER 53 -10.761 3.632 -4.515 329 HA SER 53 HA SER 53 -11.668 5.170 -6.805 330 HB2 SER 53 1HB SER 53 -12.035 7.133 -5.282 331 HB3 SER 53 2HB SER 53 -13.193 5.821 -5.057 332 HG SER 53 HG SER 53 -12.608 5.946 -3.058 333 HA PRO 54 HA PRO 54 -7.384 6.267 -7.125 334 HB2 PRO 54 1HB PRO 54 -8.383 8.985 -7.797 335 HB3 PRO 54 2HB PRO 54 -7.290 7.933 -8.700 336 HG2 PRO 54 1HG PRO 54 -9.803 8.264 -9.500 337 HG3 PRO 54 2HG PRO 54 -9.023 6.676 -9.596 338 HD2 PRO 54 1HD PRO 54 -11.020 7.693 -7.623 339 HD3 PRO 54 2HD PRO 54 -10.871 6.081 -8.357 340 H GLU 55 H GLU 55 -9.559 8.589 -5.577 341 HA GLU 55 HA GLU 55 -7.659 10.095 -4.193 342 HB2 GLU 55 1HB GLU 55 -10.517 9.481 -3.445 343 HB3 GLU 55 2HB GLU 55 -9.538 10.759 -2.741 344 HG2 GLU 55 1HG GLU 55 -10.329 10.554 -5.634 345 HG3 GLU 55 2HG GLU 55 -11.086 11.597 -4.432 346 H LEU 56 H LEU 56 -9.587 7.313 -3.092 347 HA LEU 56 HA LEU 56 -8.475 7.251 -0.500 348 HB2 LEU 56 1HB LEU 56 -10.101 5.375 -2.131 349 HB3 LEU 56 2HB LEU 56 -9.257 4.713 -0.742 350 HG LEU 56 HG LEU 56 -10.435 6.258 0.742 351 HD11 LEU 56 1HD1 LEU 56 -11.851 7.219 -1.739 352 HD12 LEU 56 2HD1 LEU 56 -10.713 8.146 -0.762 353 HD13 LEU 56 3HD1 LEU 56 -12.264 7.654 -0.081 354 HD21 LEU 56 3HD2 LEU 56 -12.284 4.758 -1.107 355 HD22 LEU 56 1HD2 LEU 56 -12.683 5.318 0.516 356 HD23 LEU 56 2HD2 LEU 56 -11.437 4.090 0.290 357 H SER 57 H SER 57 -7.570 5.685 -3.493 358 HA SER 57 HA SER 57 -5.599 3.966 -2.463 359 HB2 SER 57 1HB SER 57 -5.632 5.320 -5.176 360 HB3 SER 57 2HB SER 57 -4.752 3.852 -4.750 361 HG SER 57 HG SER 57 -7.555 4.229 -4.952 362 H ALA 58 H ALA 58 -5.196 7.117 -4.058 363 HA ALA 58 HA ALA 58 -2.588 7.669 -3.465 364 HB1 ALA 58 3HB ALA 58 -4.007 9.116 -4.839 365 HB2 ALA 58 1HB ALA 58 -3.132 10.035 -3.617 366 HB3 ALA 58 2HB ALA 58 -4.841 9.673 -3.388 367 H LYS 59 H LYS 59 -5.344 8.087 -1.291 368 HA LYS 59 HA LYS 59 -3.909 9.439 0.747 369 HB2 LYS 59 1HB LYS 59 -6.457 7.825 0.898 370 HB3 LYS 59 2HB LYS 59 -5.799 8.736 2.249 371 HG2 LYS 59 1HG LYS 59 -5.991 10.803 0.924 372 HG3 LYS 59 2HG LYS 59 -6.696 9.870 -0.395 373 HD2 LYS 59 1HD LYS 59 -8.457 10.948 0.869 374 HD3 LYS 59 2HD LYS 59 -8.546 9.203 1.109 375 HE2 LYS 59 1HE LYS 59 -7.475 9.407 3.266 376 HE3 LYS 59 2HE LYS 59 -7.217 11.131 3.013 377 HZ1 LYS 59 3HZ LYS 59 -9.599 11.458 3.029 378 HZ2 LYS 59 1HZ LYS 59 -9.111 10.685 4.452 379 HZ3 LYS 59 2HZ LYS 59 -9.861 9.801 3.225 380 H VAL 60 H VAL 60 -4.941 6.043 0.578 381 HA VAL 60 HA VAL 60 -3.604 5.184 2.870 382 HB VAL 60 HB VAL 60 -3.906 2.932 2.255 383 HG11 VAL 60 1HG1 VAL 60 -6.242 2.831 1.547 384 HG12 VAL 60 2HG1 VAL 60 -6.158 4.528 1.074 385 HG13 VAL 60 3HG1 VAL 60 -5.952 4.074 2.765 386 HG21 VAL 60 3HG2 VAL 60 -2.892 2.866 0.079 387 HG22 VAL 60 1HG2 VAL 60 -4.205 3.829 -0.611 388 HG23 VAL 60 2HG2 VAL 60 -4.516 2.193 -0.025 389 H VAL 61 H VAL 61 -2.157 6.077 -0.054 390 HA VAL 61 HA VAL 61 0.232 4.495 0.632 391 HB VAL 61 HB VAL 61 -0.507 4.227 -1.719 392 HG11 VAL 61 1HG1 VAL 61 0.222 7.130 -2.037 393 HG12 VAL 61 2HG1 VAL 61 -1.400 6.446 -2.126 394 HG13 VAL 61 3HG1 VAL 61 -0.196 6.018 -3.341 395 HG21 VAL 61 3HG2 VAL 61 1.693 4.549 -2.767 396 HG22 VAL 61 1HG2 VAL 61 1.830 3.850 -1.155 397 HG23 VAL 61 2HG2 VAL 61 2.186 5.556 -1.408 398 H GLU 62 H GLU 62 -0.819 7.780 0.016 399 HA GLU 62 HA GLU 62 1.672 9.085 0.298 400 HB2 GLU 62 1HB GLU 62 -1.139 10.062 0.792 401 HB3 GLU 62 2HB GLU 62 0.265 11.107 0.956 402 HG2 GLU 62 1HG GLU 62 -0.457 9.629 -1.565 403 HG3 GLU 62 2HG GLU 62 -0.922 11.292 -1.221 404 H LYS 63 H LYS 63 -0.687 8.060 2.653 405 HA LYS 63 HA LYS 63 0.733 9.270 4.855 406 HB2 LYS 63 1HB LYS 63 -1.675 9.128 4.969 407 HB3 LYS 63 2HB LYS 63 -1.624 7.386 4.745 408 HG2 LYS 63 1HG LYS 63 -0.494 7.141 6.873 409 HG3 LYS 63 2HG LYS 63 -0.537 8.889 7.104 410 HD2 LYS 63 1HD LYS 63 -2.963 7.105 6.819 411 HD3 LYS 63 2HD LYS 63 -2.338 7.724 8.348 412 HE2 LYS 63 1HE LYS 63 -2.716 10.019 7.555 413 HE3 LYS 63 2HE LYS 63 -3.359 9.384 6.044 414 HZ1 LYS 63 3HZ LYS 63 -5.145 9.960 7.520 415 HZ2 LYS 63 1HZ LYS 63 -4.514 8.992 8.751 416 HZ3 LYS 63 2HZ LYS 63 -5.115 8.283 7.339 417 H LEU 64 H LEU 64 0.023 6.028 3.767 418 HA LEU 64 HA LEU 64 1.359 4.558 5.684 419 HB2 LEU 64 1HB LEU 64 -0.146 3.645 3.971 420 HB3 LEU 64 2HB LEU 64 1.132 3.824 2.784 421 HG LEU 64 HG LEU 64 2.479 2.177 3.963 422 HD11 LEU 64 1HD1 LEU 64 1.792 2.602 6.239 423 HD12 LEU 64 2HD1 LEU 64 1.463 0.916 5.851 424 HD13 LEU 64 3HD1 LEU 64 0.150 2.087 5.875 425 HD21 LEU 64 3HD2 LEU 64 -0.361 1.316 3.425 426 HD22 LEU 64 1HD2 LEU 64 1.024 0.231 3.545 427 HD23 LEU 64 2HD2 LEU 64 0.947 1.419 2.248 428 H ASN 65 H ASN 65 2.789 5.695 2.574 429 HA ASN 65 HA ASN 65 5.291 4.540 3.000 430 HB2 ASN 65 1HB ASN 65 6.069 5.725 1.151 431 HB3 ASN 65 2HB ASN 65 4.340 5.638 0.849 432 HD21 ASN 65 2HD2 ASN 65 3.133 7.504 0.901 433 HD22 ASN 65 1HD2 ASN 65 3.842 9.083 0.966 434 H GLN 66 H GLN 66 3.875 7.099 4.640 435 HA GLN 66 HA GLN 66 6.338 8.429 5.365 436 HB2 GLN 66 1HB GLN 66 3.738 9.242 5.368 437 HB3 GLN 66 2HB GLN 66 3.941 8.800 7.057 438 HG2 GLN 66 1HG GLN 66 4.393 11.149 6.718 439 HG3 GLN 66 2HG GLN 66 5.854 10.300 7.227 440 HE21 GLN 66 2HE2 GLN 66 4.525 10.094 4.011 441 HE22 GLN 66 1HE2 GLN 66 5.796 10.944 3.218 442 H VAL 67 H VAL 67 4.010 6.220 6.751 443 HA VAL 67 HA VAL 67 5.272 5.840 9.233 444 HB VAL 67 HB VAL 67 3.566 3.797 7.800 445 HG11 VAL 67 1HG1 VAL 67 4.645 2.984 9.811 446 HG12 VAL 67 2HG1 VAL 67 2.911 3.154 10.078 447 HG13 VAL 67 3HG1 VAL 67 4.024 4.360 10.725 448 HG21 VAL 67 3HG2 VAL 67 1.619 4.851 8.875 449 HG22 VAL 67 1HG2 VAL 67 2.406 5.936 7.728 450 HG23 VAL 67 2HG2 VAL 67 2.659 6.150 9.460 451 H CYS 68 H CYS 68 5.413 3.913 6.164 452 HA CYS 68 HA CYS 68 7.304 2.055 7.099 453 HB2 CYS 68 1HB CYS 68 6.972 2.994 4.255 454 HB3 CYS 68 2HB CYS 68 7.602 1.447 4.803 455 H ALA 69 H ALA 69 7.605 5.321 6.354 456 HA ALA 69 HA ALA 69 10.380 5.207 5.527 457 HB1 ALA 69 3HB ALA 69 8.709 7.592 6.336 458 HB2 ALA 69 1HB ALA 69 8.939 7.012 4.687 459 HB3 ALA 69 2HB ALA 69 10.309 7.651 5.596 460 H LYS 70 H LYS 70 8.600 5.092 8.378 461 HA LYS 70 HA LYS 70 10.818 6.035 10.033 462 HB2 LYS 70 1HB LYS 70 8.086 5.139 10.955 463 HB3 LYS 70 2HB LYS 70 9.273 6.057 11.866 464 HG2 LYS 70 1HG LYS 70 7.589 6.989 9.555 465 HG3 LYS 70 2HG LYS 70 7.577 7.576 11.218 466 HD2 LYS 70 1HD LYS 70 9.901 8.381 10.893 467 HD3 LYS 70 2HD LYS 70 9.791 7.879 9.203 468 HE2 LYS 70 1HE LYS 70 7.884 9.408 8.899 469 HE3 LYS 70 2HE LYS 70 8.074 9.940 10.569 470 HZ1 LYS 70 3HZ LYS 70 9.136 11.483 9.103 471 HZ2 LYS 70 1HZ LYS 70 10.059 10.260 8.388 472 HZ3 LYS 70 2HZ LYS 70 10.322 10.688 10.003 473 H ASP 71 H ASP 71 9.410 3.177 8.823 474 HA ASP 71 HA ASP 71 11.232 1.562 10.397 475 HB2 ASP 71 1HB ASP 71 9.200 1.472 11.750 476 HB3 ASP 71 2HB ASP 71 8.250 1.034 10.334 477 HA PRO 72 HA PRO 72 11.368 0.079 6.197 478 HB2 PRO 72 1HB PRO 72 13.648 -1.309 6.381 479 HB3 PRO 72 2HB PRO 72 13.639 0.459 6.396 480 HG2 PRO 72 1HG PRO 72 13.904 -1.453 8.679 481 HG3 PRO 72 2HG PRO 72 14.759 0.071 8.389 482 HD2 PRO 72 1HD PRO 72 12.593 -0.211 10.074 483 HD3 PRO 72 2HD PRO 72 13.089 1.315 9.324 484 H GLN 73 H GLN 73 10.978 -1.795 9.048 485 HA GLN 73 HA GLN 73 11.032 -4.364 7.825 486 HB2 GLN 73 1HB GLN 73 11.427 -3.739 10.280 487 HB3 GLN 73 2HB GLN 73 9.680 -3.651 10.414 488 HG2 GLN 73 1HG GLN 73 10.417 -5.791 11.185 489 HG3 GLN 73 2HG GLN 73 9.540 -5.997 9.672 490 HE21 GLN 73 2HE2 GLN 73 12.799 -4.759 9.840 491 HE22 GLN 73 1HE2 GLN 73 13.561 -6.134 9.119 492 H MET 74 H MET 74 8.793 -1.882 7.670 493 HA MET 74 HA MET 74 6.399 -3.451 7.751 494 HB2 MET 74 1HB MET 74 6.876 -0.646 6.745 495 HB3 MET 74 2HB MET 74 5.296 -1.402 6.885 496 HG2 MET 74 1HG MET 74 5.633 -1.629 9.303 497 HG3 MET 74 2HG MET 74 7.197 -0.835 9.147 498 HE1 MET 74 3HE MET 74 3.136 1.218 8.368 499 HE2 MET 74 1HE MET 74 3.321 -0.461 8.874 500 HE3 MET 74 2HE MET 74 3.815 0.034 7.253 501 H LEU 75 H LEU 75 6.434 -5.076 6.283 502 HA LEU 75 HA LEU 75 7.184 -4.859 3.571 503 HB2 LEU 75 1HB LEU 75 5.560 -6.805 5.155 504 HB3 LEU 75 2HB LEU 75 5.511 -6.899 3.409 505 HG LEU 75 HG LEU 75 7.894 -7.347 3.314 506 HD11 LEU 75 1HD1 LEU 75 7.859 -7.070 6.310 507 HD12 LEU 75 2HD1 LEU 75 8.660 -5.992 5.170 508 HD13 LEU 75 3HD1 LEU 75 9.217 -7.655 5.352 509 HD21 LEU 75 3HD2 LEU 75 6.386 -9.231 3.637 510 HD22 LEU 75 1HD2 LEU 75 6.527 -9.054 5.386 511 HD23 LEU 75 2HD2 LEU 75 7.937 -9.512 4.428 512 H LEU 76 H LEU 76 5.970 -4.532 1.708 513 HA LEU 76 HA LEU 76 4.041 -2.521 1.874 514 HB2 LEU 76 1HB LEU 76 5.533 -3.012 -0.075 515 HB3 LEU 76 2HB LEU 76 4.489 -4.363 -0.475 516 HG LEU 76 HG LEU 76 3.343 -1.587 -0.309 517 HD11 LEU 76 1HD1 LEU 76 3.810 -1.282 -2.685 518 HD12 LEU 76 2HD1 LEU 76 4.741 -2.779 -2.702 519 HD13 LEU 76 3HD1 LEU 76 5.301 -1.401 -1.754 520 HD21 LEU 76 3HD2 LEU 76 1.793 -2.483 -1.974 521 HD22 LEU 76 1HD2 LEU 76 1.811 -3.483 -0.522 522 HD23 LEU 76 2HD2 LEU 76 2.664 -4.017 -1.971 523 H ILE 77 H ILE 77 3.565 -5.986 1.192 524 HA ILE 77 HA ILE 77 0.804 -5.882 0.749 525 HB ILE 77 HB ILE 77 2.385 -8.185 1.916 526 HG12 ILE 77 1HG1 ILE 77 3.303 -7.465 -0.231 527 HG13 ILE 77 2HG1 ILE 77 2.483 -9.010 -0.409 528 HG21 ILE 77 1HG2 ILE 77 -0.304 -8.163 0.544 529 HG22 ILE 77 2HG2 ILE 77 -0.011 -8.471 2.254 530 HG23 ILE 77 3HG2 ILE 77 0.581 -9.605 1.039 531 HD11 ILE 77 3HD1 ILE 77 1.986 -7.599 -2.291 532 HD12 ILE 77 1HD1 ILE 77 1.424 -6.311 -1.224 533 HD13 ILE 77 2HD1 ILE 77 0.525 -7.822 -1.328 534 H THR 78 H THR 78 2.605 -6.302 3.746 535 HA THR 78 HA THR 78 0.269 -6.759 5.337 536 HB THR 78 HB THR 78 2.981 -5.869 6.333 537 HG1 THR 78 HG1 THR 78 2.046 -8.405 5.455 538 HG21 THR 78 3HG2 THR 78 0.800 -7.551 7.588 539 HG22 THR 78 1HG2 THR 78 1.154 -5.870 7.983 540 HG23 THR 78 2HG2 THR 78 2.338 -7.127 8.339 541 H ALA 79 H ALA 79 2.419 -4.036 4.712 542 HA ALA 79 HA ALA 79 1.512 -2.134 6.427 543 HB1 ALA 79 3HB ALA 79 2.238 -1.605 3.554 544 HB2 ALA 79 1HB ALA 79 3.400 -1.930 4.838 545 HB3 ALA 79 2HB ALA 79 2.390 -0.495 4.917 546 H ILE 80 H ILE 80 0.134 -2.621 3.130 547 HA ILE 80 HA ILE 80 -1.910 -0.721 3.381 548 HB ILE 80 HB ILE 80 -1.993 -3.259 1.735 549 HG12 ILE 80 1HG1 ILE 80 -0.976 -0.512 0.970 550 HG13 ILE 80 2HG1 ILE 80 0.041 -1.908 1.310 551 HG21 ILE 80 1HG2 ILE 80 -4.165 -2.194 1.910 552 HG22 ILE 80 2HG2 ILE 80 -3.514 -1.961 0.287 553 HG23 ILE 80 3HG2 ILE 80 -3.468 -0.640 1.453 554 HD11 ILE 80 3HD1 ILE 80 -0.205 -1.554 -1.077 555 HD12 ILE 80 1HD1 ILE 80 -1.958 -1.681 -0.927 556 HD13 ILE 80 2HD1 ILE 80 -0.940 -3.080 -0.591 557 H ASP 81 H ASP 81 -1.930 -4.215 3.992 558 HA ASP 81 HA ASP 81 -4.633 -4.478 4.690 559 HB2 ASP 81 1HB ASP 81 -3.365 -6.439 4.175 560 HB3 ASP 81 2HB ASP 81 -2.194 -6.091 5.441 561 H ASP 82 H ASP 82 -1.805 -3.689 6.628 562 HA ASP 82 HA ASP 82 -3.151 -3.750 9.128 563 HB2 ASP 82 1HB ASP 82 -0.667 -3.915 8.825 564 HB3 ASP 82 2HB ASP 82 -0.652 -2.197 8.440 565 H THR 83 H THR 83 -2.481 -1.199 6.787 566 HA THR 83 HA THR 83 -3.453 0.967 8.269 567 HB THR 83 HB THR 83 -3.514 0.594 5.260 568 HG1 THR 83 HG1 THR 83 -1.406 0.411 5.981 569 HG21 THR 83 3HG2 THR 83 -3.562 3.114 6.939 570 HG22 THR 83 1HG2 THR 83 -4.915 2.475 6.006 571 HG23 THR 83 2HG2 THR 83 -3.469 3.055 5.180 572 H MET 84 H MET 84 -5.070 -1.589 6.603 573 HA MET 84 HA MET 84 -7.629 -0.425 6.283 574 HB2 MET 84 1HB MET 84 -7.124 -2.484 5.128 575 HB3 MET 84 2HB MET 84 -6.731 -3.295 6.625 576 HG2 MET 84 1HG MET 84 -9.496 -2.285 6.051 577 HG3 MET 84 2HG MET 84 -8.939 -3.858 5.493 578 HE1 MET 84 3HE MET 84 -7.827 -5.635 7.207 579 HE2 MET 84 1HE MET 84 -8.107 -5.615 8.950 580 HE3 MET 84 2HE MET 84 -6.973 -4.479 8.226 581 H ARG 85 H ARG 85 -6.009 -2.013 8.908 582 HA ARG 85 HA ARG 85 -8.166 -2.255 10.716 583 HB2 ARG 85 1HB ARG 85 -5.246 -1.825 11.371 584 HB3 ARG 85 2HB ARG 85 -6.461 -2.520 12.431 585 HG2 ARG 85 1HG ARG 85 -6.629 -4.477 11.073 586 HG3 ARG 85 2HG ARG 85 -5.620 -3.754 9.820 587 HD2 ARG 85 1HD ARG 85 -4.302 -5.313 11.101 588 HD3 ARG 85 2HD ARG 85 -3.745 -3.673 11.425 589 HE ARG 85 HE ARG 85 -5.691 -4.730 13.291 590 HH11 ARG 85 1HH1 ARG 85 -2.283 -4.129 12.590 591 HH12 ARG 85 2HH1 ARG 85 -1.792 -4.404 14.229 592 HH21 ARG 85 1HH2 ARG 85 -5.017 -5.064 15.446 593 HH22 ARG 85 2HH2 ARG 85 -3.341 -4.916 15.855 594 H ALA 86 H ALA 86 -5.699 0.234 10.239 595 HA ALA 86 HA ALA 86 -6.604 2.003 12.227 596 HB1 ALA 86 3HB ALA 86 -4.361 2.115 11.244 597 HB2 ALA 86 1HB ALA 86 -5.197 3.664 11.144 598 HB3 ALA 86 2HB ALA 86 -5.062 2.641 9.713 599 H ILE 87 H ILE 87 -7.577 1.538 8.866 600 HA ILE 87 HA ILE 87 -9.052 3.936 8.595 601 HB ILE 87 HB ILE 87 -9.359 1.275 7.179 602 HG12 ILE 87 1HG1 ILE 87 -8.098 3.882 6.292 603 HG13 ILE 87 2HG1 ILE 87 -7.219 2.448 6.812 604 HG21 ILE 87 1HG2 ILE 87 -10.637 3.925 6.492 605 HG22 ILE 87 2HG2 ILE 87 -11.474 2.491 7.082 606 HG23 ILE 87 3HG2 ILE 87 -10.693 2.467 5.500 607 HD11 ILE 87 3HD1 ILE 87 -8.132 1.212 4.910 608 HD12 ILE 87 1HD1 ILE 87 -7.233 2.639 4.398 609 HD13 ILE 87 2HD1 ILE 87 -8.996 2.659 4.392 610 H GLY 88 H GLY 88 -10.069 0.635 9.485 611 HA2 GLY 88 1HA GLY 88 -12.130 -0.179 10.192 612 HA3 GLY 88 2HA GLY 88 -11.852 1.028 11.428 613 H LYS 89 H LYS 89 -13.078 0.886 8.083 614 HA LYS 89 HA LYS 89 -14.729 3.181 8.473 615 HB2 LYS 89 1HB LYS 89 -13.902 2.554 6.230 616 HB3 LYS 89 2HB LYS 89 -14.931 1.128 6.263 617 HG2 LYS 89 1HG LYS 89 -16.911 2.550 6.397 618 HG3 LYS 89 2HG LYS 89 -15.887 3.984 6.374 619 HD2 LYS 89 1HD LYS 89 -15.080 3.366 4.144 620 HD3 LYS 89 2HD LYS 89 -16.106 1.927 4.176 621 HE2 LYS 89 1HE LYS 89 -18.085 3.362 4.392 622 HE3 LYS 89 2HE LYS 89 -17.055 4.787 4.317 623 HZ1 LYS 89 3HZ LYS 89 -16.387 4.140 2.080 624 HZ2 LYS 89 1HZ LYS 89 -18.067 4.299 2.183 625 HZ3 LYS 89 2HZ LYS 89 -17.370 2.763 2.169 626 H LYS 90 H LYS 90 -16.348 3.172 9.831 627 HA LYS 90 HA LYS 90 -17.922 0.772 10.282 628 HB2 LYS 90 1HB LYS 90 -18.204 3.484 11.589 629 HB3 LYS 90 2HB LYS 90 -18.871 1.962 12.157 630 HG2 LYS 90 1HG LYS 90 -15.943 2.667 12.020 631 HG3 LYS 90 2HG LYS 90 -16.939 2.628 13.476 632 HD2 LYS 90 1HD LYS 90 -17.274 0.248 13.230 633 HD3 LYS 90 2HD LYS 90 -16.419 0.253 11.687 634 HE2 LYS 90 1HE LYS 90 -14.970 -0.573 13.454 635 HE3 LYS 90 2HE LYS 90 -14.370 0.963 12.835 636 HZ1 LYS 90 3HZ LYS 90 -14.275 0.874 15.246 637 HZ2 LYS 90 1HZ LYS 90 -15.940 0.604 15.329 638 HZ3 LYS 90 2HZ LYS 90 -15.355 2.073 14.747 Start of MODEL 9 1 H ASN 7 H ASN 7 6.609 -21.003 1.845 2 HA ASN 7 HA ASN 7 9.461 -21.146 1.154 3 HB2 ASN 7 1HB ASN 7 8.979 -23.330 0.137 4 HB3 ASN 7 2HB ASN 7 8.459 -23.294 1.819 5 HD21 ASN 7 2HD2 ASN 7 7.389 -23.201 -1.505 6 HD22 ASN 7 1HD2 ASN 7 5.752 -23.644 -1.187 7 H GLY 8 H GLY 8 6.491 -20.000 0.042 8 HA2 GLY 8 1HA GLY 8 7.664 -19.432 -2.580 9 HA3 GLY 8 2HA GLY 8 6.101 -20.234 -2.521 10 H LEU 9 H LEU 9 7.837 -17.307 -1.730 11 HA LEU 9 HA LEU 9 5.321 -15.940 -1.131 12 HB2 LEU 9 1HB LEU 9 8.132 -14.844 -0.908 13 HB3 LEU 9 2HB LEU 9 6.672 -14.126 -0.270 14 HG LEU 9 HG LEU 9 6.537 -16.260 1.207 15 HD11 LEU 9 1HD1 LEU 9 8.252 -17.558 0.096 16 HD12 LEU 9 2HD1 LEU 9 8.731 -17.216 1.759 17 HD13 LEU 9 3HD1 LEU 9 9.448 -16.304 0.430 18 HD21 LEU 9 3HD2 LEU 9 6.945 -14.037 2.084 19 HD22 LEU 9 1HD2 LEU 9 8.648 -14.153 1.645 20 HD23 LEU 9 2HD2 LEU 9 7.985 -15.209 2.891 21 HA PRO 10 HA PRO 10 5.511 -13.836 -5.075 22 HB2 PRO 10 1HB PRO 10 3.857 -11.761 -4.540 23 HB3 PRO 10 2HB PRO 10 3.249 -13.404 -4.780 24 HG2 PRO 10 1HG PRO 10 3.707 -11.905 -2.236 25 HG3 PRO 10 2HG PRO 10 2.375 -12.988 -2.675 26 HD2 PRO 10 1HD PRO 10 4.500 -13.731 -1.109 27 HD3 PRO 10 2HD PRO 10 3.550 -14.864 -2.092 28 H SER 11 H SER 11 6.341 -11.816 -5.953 29 HA SER 11 HA SER 11 8.629 -10.883 -4.691 30 HB2 SER 11 1HB SER 11 7.024 -9.421 -6.779 31 HB3 SER 11 2HB SER 11 8.739 -9.214 -6.430 32 HG SER 11 HG SER 11 7.709 -10.855 -8.150 33 H GLU 12 H GLU 12 5.354 -9.780 -4.455 34 HA GLU 12 HA GLU 12 5.839 -7.194 -3.453 35 HB2 GLU 12 1HB GLU 12 3.431 -8.993 -3.264 36 HB3 GLU 12 2HB GLU 12 3.451 -7.357 -2.626 37 HG2 GLU 12 1HG GLU 12 2.391 -7.397 -4.793 38 HG3 GLU 12 2HG GLU 12 3.900 -6.494 -4.881 39 H THR 13 H THR 13 6.436 -10.187 -1.927 40 HA THR 13 HA THR 13 5.874 -9.084 0.712 41 HB THR 13 HB THR 13 6.774 -11.896 0.051 42 HG1 THR 13 HG1 THR 13 4.430 -10.688 -0.480 43 HG21 THR 13 3HG2 THR 13 5.356 -10.686 2.435 44 HG22 THR 13 1HG2 THR 13 7.027 -11.249 2.395 45 HG23 THR 13 2HG2 THR 13 5.701 -12.401 2.226 46 H TYR 14 H TYR 14 8.425 -9.621 -1.510 47 HA TYR 14 HA TYR 14 10.499 -9.749 0.536 48 HB2 TYR 14 1HB TYR 14 10.785 -9.538 -2.466 49 HB3 TYR 14 2HB TYR 14 12.080 -9.859 -1.321 50 HD1 TYR 14 HD1 TYR 14 9.090 -11.198 -2.905 51 HD2 TYR 14 HD2 TYR 14 12.419 -12.054 -0.434 52 HE1 TYR 14 HE1 TYR 14 8.650 -13.559 -3.184 53 HE2 TYR 14 HE2 TYR 14 12.001 -14.460 -0.690 54 HH TYR 14 HH TYR 14 10.202 -15.966 -1.266 55 H ILE 15 H ILE 15 8.802 -7.442 -1.309 56 HA ILE 15 HA ILE 15 10.937 -5.495 -1.148 57 HB ILE 15 HB ILE 15 9.267 -4.048 -2.394 58 HG12 ILE 15 1HG1 ILE 15 7.910 -6.681 -2.964 59 HG13 ILE 15 2HG1 ILE 15 7.328 -5.573 -1.723 60 HG21 ILE 15 1HG2 ILE 15 10.226 -6.592 -3.702 61 HG22 ILE 15 2HG2 ILE 15 11.165 -5.115 -3.482 62 HG23 ILE 15 3HG2 ILE 15 9.757 -5.114 -4.544 63 HD11 ILE 15 3HD1 ILE 15 7.594 -4.956 -4.657 64 HD12 ILE 15 1HD1 ILE 15 7.045 -3.834 -3.413 65 HD13 ILE 15 2HD1 ILE 15 6.094 -5.270 -3.781 66 H THR 16 H THR 16 10.523 -3.443 -0.256 67 HA THR 16 HA THR 16 8.797 -3.715 2.094 68 HB THR 16 HB THR 16 10.883 -1.584 1.873 69 HG1 THR 16 HG1 THR 16 11.906 -3.555 1.146 70 HG21 THR 16 3HG2 THR 16 9.448 -1.738 3.842 71 HG22 THR 16 1HG2 THR 16 11.122 -2.107 4.259 72 HG23 THR 16 2HG2 THR 16 9.949 -3.412 4.078 73 H CYS 17 H CYS 17 7.633 -1.880 2.806 74 HA CYS 17 HA CYS 17 6.111 -0.622 0.857 75 HB2 CYS 17 1HB CYS 17 5.156 -0.853 2.955 76 HB3 CYS 17 2HB CYS 17 6.558 -0.183 3.775 77 H ALA 18 H ALA 18 8.750 0.752 2.833 78 HA ALA 18 HA ALA 18 8.770 3.309 1.757 79 HB1 ALA 18 3HB ALA 18 10.035 2.670 3.753 80 HB2 ALA 18 1HB ALA 18 11.063 3.478 2.569 81 HB3 ALA 18 2HB ALA 18 11.138 1.725 2.752 82 H GLU 19 H GLU 19 10.207 0.331 0.487 83 HA GLU 19 HA GLU 19 11.782 1.536 -1.520 84 HB2 GLU 19 1HB GLU 19 10.604 -1.238 -1.403 85 HB3 GLU 19 2HB GLU 19 11.829 -0.708 -2.545 86 HG2 GLU 19 1HG GLU 19 13.317 -0.210 -0.633 87 HG3 GLU 19 2HG GLU 19 12.101 -0.906 0.438 88 H ALA 20 H ALA 20 8.403 0.751 -1.323 89 HA ALA 20 HA ALA 20 7.808 0.676 -4.034 90 HB1 ALA 20 3HB ALA 20 5.497 1.166 -3.359 91 HB2 ALA 20 1HB ALA 20 6.064 1.590 -1.744 92 HB3 ALA 20 2HB ALA 20 6.230 -0.065 -2.331 93 H ASN 21 H ASN 21 8.350 3.297 -1.807 94 HA ASN 21 HA ASN 21 7.393 5.364 -3.566 95 HB2 ASN 21 1HB ASN 21 7.423 5.703 -1.125 96 HB3 ASN 21 2HB ASN 21 9.178 5.571 -1.127 97 HD21 ASN 21 2HD2 ASN 21 6.455 7.548 -1.971 98 HD22 ASN 21 1HD2 ASN 21 7.341 9.005 -2.247 99 H GLU 22 H GLU 22 10.492 3.980 -2.692 100 HA GLU 22 HA GLU 22 12.221 5.608 -4.133 101 HB2 GLU 22 1HB GLU 22 12.448 2.610 -3.852 102 HB3 GLU 22 2HB GLU 22 13.753 3.712 -4.251 103 HG2 GLU 22 1HG GLU 22 13.432 4.786 -2.036 104 HG3 GLU 22 2HG GLU 22 12.267 3.520 -1.647 105 H MET 23 H MET 23 10.580 2.657 -5.251 106 HA MET 23 HA MET 23 11.445 2.975 -7.940 107 HB2 MET 23 1HB MET 23 9.703 1.235 -8.454 108 HB3 MET 23 2HB MET 23 10.886 0.765 -7.246 109 HG2 MET 23 1HG MET 23 9.261 1.301 -5.482 110 HG3 MET 23 2HG MET 23 8.076 1.695 -6.722 111 HE1 MET 23 3HE MET 23 8.465 -0.483 -8.925 112 HE2 MET 23 1HE MET 23 6.899 -0.033 -8.251 113 HE3 MET 23 2HE MET 23 7.352 -1.733 -8.370 114 H ALA 24 H ALA 24 8.653 4.034 -6.171 115 HA ALA 24 HA ALA 24 6.970 4.866 -8.218 116 HB1 ALA 24 3HB ALA 24 5.990 6.460 -6.672 117 HB2 ALA 24 1HB ALA 24 7.403 6.344 -5.623 118 HB3 ALA 24 2HB ALA 24 6.348 4.948 -5.836 119 H LYS 25 H LYS 25 9.900 6.367 -7.063 120 HA LYS 25 HA LYS 25 9.677 8.888 -8.236 121 HB2 LYS 25 1HB LYS 25 12.172 7.231 -7.845 122 HB3 LYS 25 2HB LYS 25 12.146 8.953 -8.188 123 HG2 LYS 25 1HG LYS 25 11.001 9.368 -6.076 124 HG3 LYS 25 2HG LYS 25 10.994 7.636 -5.735 125 HD2 LYS 25 1HD LYS 25 13.456 7.636 -5.785 126 HD3 LYS 25 2HD LYS 25 13.438 9.377 -6.071 127 HE2 LYS 25 1HE LYS 25 12.291 9.710 -3.931 128 HE3 LYS 25 2HE LYS 25 12.319 7.971 -3.646 129 HZ1 LYS 25 3HZ LYS 25 14.108 9.045 -2.466 130 HZ2 LYS 25 1HZ LYS 25 14.696 9.741 -3.892 131 HZ3 LYS 25 2HZ LYS 25 14.748 8.065 -3.679 132 H THR 26 H THR 26 10.105 5.837 -9.742 133 HA THR 26 HA THR 26 10.633 7.182 -12.313 134 HB THR 26 HB THR 26 11.753 5.074 -13.068 135 HG1 THR 26 HG1 THR 26 10.944 3.592 -11.531 136 HG21 THR 26 3HG2 THR 26 12.992 6.408 -10.659 137 HG22 THR 26 1HG2 THR 26 13.075 6.991 -12.321 138 HG23 THR 26 2HG2 THR 26 13.860 5.474 -11.880 139 H ASP 27 H ASP 27 8.930 4.694 -10.575 140 HA ASP 27 HA ASP 27 7.191 4.236 -12.910 141 HB2 ASP 27 1HB ASP 27 7.945 2.142 -10.864 142 HB3 ASP 27 2HB ASP 27 7.040 1.902 -12.352 143 H SER 28 H SER 28 6.316 6.154 -11.359 144 HA SER 28 HA SER 28 5.125 5.528 -8.925 145 HB2 SER 28 1HB SER 28 3.704 7.566 -9.415 146 HB3 SER 28 2HB SER 28 5.449 7.813 -9.491 147 HG SER 28 HG SER 28 3.831 8.506 -11.305 148 H ALA 29 H ALA 29 3.839 5.299 -12.219 149 HA ALA 29 HA ALA 29 1.174 4.810 -11.478 150 HB1 ALA 29 3HB ALA 29 2.583 3.907 -13.984 151 HB2 ALA 29 1HB ALA 29 1.846 5.490 -13.742 152 HB3 ALA 29 2HB ALA 29 0.843 4.040 -13.748 153 H GLN 30 H GLN 30 3.923 2.632 -11.976 154 HA GLN 30 HA GLN 30 2.471 0.220 -11.769 155 HB2 GLN 30 1HB GLN 30 5.348 0.782 -11.039 156 HB3 GLN 30 2HB GLN 30 4.642 -0.821 -11.156 157 HG2 GLN 30 1HG GLN 30 4.137 -0.332 -13.545 158 HG3 GLN 30 2HG GLN 30 5.057 1.160 -13.370 159 HE21 GLN 30 2HE2 GLN 30 5.569 -1.091 -15.090 160 HE22 GLN 30 1HE2 GLN 30 7.135 -1.690 -14.669 161 H VAL 31 H VAL 31 3.771 2.412 -9.406 162 HA VAL 31 HA VAL 31 3.504 0.605 -7.188 163 HB VAL 31 HB VAL 31 3.909 3.606 -7.192 164 HG11 VAL 31 1HG1 VAL 31 4.278 1.575 -4.991 165 HG12 VAL 31 2HG1 VAL 31 3.022 2.809 -5.068 166 HG13 VAL 31 3HG1 VAL 31 4.713 3.282 -4.893 167 HG21 VAL 31 3HG2 VAL 31 5.705 2.432 -8.341 168 HG22 VAL 31 1HG2 VAL 31 5.898 1.353 -6.958 169 HG23 VAL 31 2HG2 VAL 31 6.265 3.070 -6.794 170 H ALA 32 H ALA 32 1.631 3.181 -8.636 171 HA ALA 32 HA ALA 32 -0.273 3.360 -6.497 172 HB1 ALA 32 3HB ALA 32 0.126 5.252 -8.017 173 HB2 ALA 32 1HB ALA 32 -1.567 4.756 -8.020 174 HB3 ALA 32 2HB ALA 32 -0.512 4.300 -9.360 175 H GLU 33 H GLU 33 0.137 1.509 -9.382 176 HA GLU 33 HA GLU 33 -2.491 0.457 -9.515 177 HB2 GLU 33 1HB GLU 33 -0.981 0.513 -11.445 178 HB3 GLU 33 2HB GLU 33 0.103 -0.604 -10.631 179 HG2 GLU 33 1HG GLU 33 -1.652 -2.309 -10.659 180 HG3 GLU 33 2HG GLU 33 -2.712 -1.185 -11.512 181 H ILE 34 H ILE 34 0.558 -0.702 -8.078 182 HA ILE 34 HA ILE 34 -0.446 -3.265 -7.395 183 HB ILE 34 HB ILE 34 1.900 -1.751 -6.214 184 HG12 ILE 34 1HG1 ILE 34 1.819 -3.948 -8.298 185 HG13 ILE 34 2HG1 ILE 34 2.070 -2.238 -8.641 186 HG21 ILE 34 1HG2 ILE 34 1.130 -3.465 -4.672 187 HG22 ILE 34 2HG2 ILE 34 2.659 -3.951 -5.405 188 HG23 ILE 34 3HG2 ILE 34 1.147 -4.665 -5.964 189 HD11 ILE 34 3HD1 ILE 34 4.164 -3.454 -8.669 190 HD12 ILE 34 1HD1 ILE 34 3.888 -4.008 -7.018 191 HD13 ILE 34 2HD1 ILE 34 4.141 -2.293 -7.342 192 H VAL 35 H VAL 35 -0.063 -0.254 -5.581 193 HA VAL 35 HA VAL 35 -1.110 -1.270 -3.169 194 HB VAL 35 HB VAL 35 -1.397 1.038 -2.457 195 HG11 VAL 35 1HG1 VAL 35 0.823 0.078 -2.322 196 HG12 VAL 35 2HG1 VAL 35 0.921 1.800 -2.688 197 HG13 VAL 35 3HG1 VAL 35 1.172 0.611 -3.966 198 HG21 VAL 35 3HG2 VAL 35 -0.883 2.913 -3.948 199 HG22 VAL 35 1HG2 VAL 35 -2.274 1.991 -4.515 200 HG23 VAL 35 2HG2 VAL 35 -0.704 1.784 -5.289 201 H ALA 36 H ALA 36 -2.616 -0.163 -6.080 202 HA ALA 36 HA ALA 36 -5.206 0.196 -4.895 203 HB1 ALA 36 3HB ALA 36 -6.000 0.466 -7.184 204 HB2 ALA 36 1HB ALA 36 -4.435 -0.066 -7.801 205 HB3 ALA 36 2HB ALA 36 -4.562 1.445 -6.902 206 H VAL 37 H VAL 37 -3.653 -2.266 -6.945 207 HA VAL 37 HA VAL 37 -5.806 -3.984 -7.219 208 HB VAL 37 HB VAL 37 -2.868 -4.700 -7.043 209 HG11 VAL 37 1HG1 VAL 37 -5.178 -6.366 -8.048 210 HG12 VAL 37 2HG1 VAL 37 -4.248 -6.666 -6.581 211 HG13 VAL 37 3HG1 VAL 37 -3.471 -6.799 -8.158 212 HG21 VAL 37 3HG2 VAL 37 -3.437 -3.177 -8.871 213 HG22 VAL 37 1HG2 VAL 37 -4.689 -4.292 -9.417 214 HG23 VAL 37 2HG2 VAL 37 -2.993 -4.770 -9.485 215 H MET 38 H MET 38 -3.114 -4.681 -4.830 216 HA MET 38 HA MET 38 -4.749 -6.417 -3.416 217 HB2 MET 38 1HB MET 38 -2.256 -4.989 -2.496 218 HB3 MET 38 2HB MET 38 -2.955 -6.431 -1.774 219 HG2 MET 38 1HG MET 38 -2.553 -7.629 -3.907 220 HG3 MET 38 2HG MET 38 -1.735 -6.190 -4.513 221 HE1 MET 38 3HE MET 38 0.334 -5.078 -3.143 222 HE2 MET 38 1HE MET 38 1.251 -5.938 -1.904 223 HE3 MET 38 2HE MET 38 -0.368 -5.344 -1.546 224 H GLY 39 H GLY 39 -4.142 -2.981 -3.100 225 HA2 GLY 39 1HA GLY 39 -5.039 -2.618 -0.470 226 HA3 GLY 39 2HA GLY 39 -5.072 -1.394 -1.730 227 H ASN 40 H ASN 40 -6.853 -2.017 -3.443 228 HA ASN 40 HA ASN 40 -9.317 -1.541 -2.231 229 HB2 ASN 40 1HB ASN 40 -10.100 -1.286 -4.352 230 HB3 ASN 40 2HB ASN 40 -8.391 -1.448 -4.757 231 HD21 ASN 40 2HD2 ASN 40 -7.644 -3.351 -5.627 232 HD22 ASN 40 1HD2 ASN 40 -8.693 -4.521 -6.347 233 H ALA 41 H ALA 41 -7.878 -4.594 -3.222 234 HA ALA 41 HA ALA 41 -10.173 -6.181 -2.700 235 HB1 ALA 41 3HB ALA 41 -7.272 -6.999 -2.786 236 HB2 ALA 41 1HB ALA 41 -8.365 -6.932 -4.168 237 HB3 ALA 41 2HB ALA 41 -8.659 -8.084 -2.865 238 H SER 42 H SER 42 -7.237 -5.551 -0.863 239 HA SER 42 HA SER 42 -7.875 -7.156 1.352 240 HB2 SER 42 1HB SER 42 -6.190 -5.792 2.619 241 HB3 SER 42 2HB SER 42 -5.598 -6.435 1.089 242 HG SER 42 HG SER 42 -5.753 -4.448 0.185 243 H VAL 43 H VAL 43 -8.323 -3.606 0.976 244 HA VAL 43 HA VAL 43 -9.554 -3.236 3.438 245 HB VAL 43 HB VAL 43 -10.554 -1.164 2.505 246 HG11 VAL 43 1HG1 VAL 43 -7.677 -1.657 1.755 247 HG12 VAL 43 2HG1 VAL 43 -8.279 -1.081 3.311 248 HG13 VAL 43 3HG1 VAL 43 -8.432 -0.069 1.876 249 HG21 VAL 43 3HG2 VAL 43 -11.104 -1.975 0.264 250 HG22 VAL 43 1HG2 VAL 43 -9.389 -2.111 -0.112 251 HG23 VAL 43 2HG2 VAL 43 -10.103 -0.526 0.183 252 H ALA 44 H ALA 44 -10.985 -4.238 0.361 253 HA ALA 44 HA ALA 44 -13.664 -4.130 1.251 254 HB1 ALA 44 3HB ALA 44 -12.412 -5.729 -0.984 255 HB2 ALA 44 1HB ALA 44 -13.060 -4.094 -1.116 256 HB3 ALA 44 2HB ALA 44 -14.140 -5.444 -0.766 257 H SER 45 H SER 45 -11.106 -6.265 1.927 258 HA SER 45 HA SER 45 -12.709 -8.626 2.231 259 HB2 SER 45 1HB SER 45 -9.865 -8.041 3.066 260 HB3 SER 45 2HB SER 45 -10.632 -9.625 3.139 261 HG SER 45 HG SER 45 -10.366 -8.081 0.760 262 H ARG 46 H ARG 46 -11.954 -5.936 4.263 263 HA ARG 46 HA ARG 46 -12.959 -7.492 6.567 264 HB2 ARG 46 1HB ARG 46 -10.551 -6.559 6.630 265 HB3 ARG 46 2HB ARG 46 -11.315 -4.993 6.849 266 HG2 ARG 46 1HG ARG 46 -12.567 -6.544 8.747 267 HG3 ARG 46 2HG ARG 46 -10.916 -7.164 8.755 268 HD2 ARG 46 1HD ARG 46 -10.805 -5.445 10.307 269 HD3 ARG 46 2HD ARG 46 -10.250 -4.649 8.834 270 HE ARG 46 HE ARG 46 -12.798 -4.256 10.199 271 HH11 ARG 46 1HH1 ARG 46 -10.700 -3.424 7.505 272 HH12 ARG 46 2HH1 ARG 46 -11.690 -2.099 6.980 273 HH21 ARG 46 1HH2 ARG 46 -14.059 -2.462 9.546 274 HH22 ARG 46 2HH2 ARG 46 -13.595 -1.549 8.146 275 H ASP 47 H ASP 47 -13.352 -4.663 4.612 276 HA ASP 47 HA ASP 47 -15.276 -3.521 6.471 277 HB2 ASP 47 1HB ASP 47 -13.968 -2.505 3.972 278 HB3 ASP 47 2HB ASP 47 -15.461 -1.763 4.533 279 H LEU 48 H LEU 48 -15.270 -4.375 3.005 280 HA LEU 48 HA LEU 48 -16.901 -5.044 1.580 281 HB2 LEU 48 1HB LEU 48 -18.333 -5.777 4.138 282 HB3 LEU 48 2HB LEU 48 -19.006 -6.084 2.551 283 HG LEU 48 HG LEU 48 -16.398 -7.240 3.549 284 HD11 LEU 48 1HD1 LEU 48 -17.617 -9.339 3.755 285 HD12 LEU 48 2HD1 LEU 48 -19.114 -8.522 3.308 286 HD13 LEU 48 3HD1 LEU 48 -18.302 -8.106 4.815 287 HD21 LEU 48 3HD2 LEU 48 -16.499 -7.025 1.123 288 HD22 LEU 48 1HD2 LEU 48 -18.061 -7.841 1.103 289 HD23 LEU 48 2HD2 LEU 48 -16.615 -8.716 1.603 290 H LYS 49 H LYS 49 -16.898 -2.445 3.295 291 HA LYS 49 HA LYS 49 -19.317 -1.267 2.083 292 HB2 LYS 49 1HB LYS 49 -18.216 -0.322 4.721 293 HB3 LYS 49 2HB LYS 49 -19.822 -0.078 4.052 294 HG2 LYS 49 1HG LYS 49 -20.495 -2.265 4.601 295 HG3 LYS 49 2HG LYS 49 -18.835 -2.779 4.900 296 HD2 LYS 49 1HD LYS 49 -18.790 -1.068 6.771 297 HD3 LYS 49 2HD LYS 49 -20.536 -0.936 6.561 298 HE2 LYS 49 1HE LYS 49 -19.039 -3.482 7.147 299 HE3 LYS 49 2HE LYS 49 -19.891 -2.515 8.352 300 HZ1 LYS 49 3HZ LYS 49 -21.099 -3.931 6.034 301 HZ2 LYS 49 1HZ LYS 49 -21.948 -2.894 7.066 302 HZ3 LYS 49 2HZ LYS 49 -21.282 -4.318 7.666 303 H ILE 50 H ILE 50 -16.250 -1.509 1.755 304 HA ILE 50 HA ILE 50 -15.307 1.176 2.188 305 HB ILE 50 HB ILE 50 -13.859 -0.782 2.661 306 HG12 ILE 50 1HG1 ILE 50 -11.873 0.044 1.135 307 HG13 ILE 50 2HG1 ILE 50 -13.010 1.324 0.724 308 HG21 ILE 50 1HG2 ILE 50 -13.772 -1.231 -0.299 309 HG22 ILE 50 2HG2 ILE 50 -14.631 -2.226 0.875 310 HG23 ILE 50 3HG2 ILE 50 -12.876 -2.109 0.943 311 HD11 ILE 50 3HD1 ILE 50 -12.041 0.618 3.487 312 HD12 ILE 50 1HD1 ILE 50 -13.216 1.879 3.108 313 HD13 ILE 50 2HD1 ILE 50 -11.556 2.018 2.530 314 H GLU 51 H GLU 51 -16.365 2.586 0.728 315 HA GLU 51 HA GLU 51 -16.957 2.464 -1.804 316 HB2 GLU 51 1HB GLU 51 -15.395 4.749 -0.617 317 HB3 GLU 51 2HB GLU 51 -16.492 4.829 -1.986 318 HG2 GLU 51 1HG GLU 51 -18.375 4.385 -0.593 319 HG3 GLU 51 2HG GLU 51 -17.336 4.046 0.790 320 H GLN 52 H GLN 52 -16.084 2.142 -3.693 321 HA GLN 52 HA GLN 52 -13.213 1.818 -3.926 322 HB2 GLN 52 1HB GLN 52 -15.495 1.215 -5.814 323 HB3 GLN 52 2HB GLN 52 -13.803 0.945 -6.202 324 HG2 GLN 52 1HG GLN 52 -15.202 -0.329 -3.867 325 HG3 GLN 52 2HG GLN 52 -15.054 -1.080 -5.456 326 HE21 GLN 52 2HE2 GLN 52 -14.012 -1.918 -2.850 327 HE22 GLN 52 1HE2 GLN 52 -12.306 -2.084 -3.061 328 H SER 53 H SER 53 -12.492 3.928 -3.886 329 HA SER 53 HA SER 53 -13.031 5.384 -6.356 330 HB2 SER 53 1HB SER 53 -13.080 7.546 -5.108 331 HB3 SER 53 2HB SER 53 -14.441 6.492 -4.729 332 HG SER 53 HG SER 53 -13.243 7.579 -2.938 333 HA PRO 54 HA PRO 54 -8.663 5.850 -6.791 334 HB2 PRO 54 1HB PRO 54 -9.175 8.685 -7.527 335 HB3 PRO 54 2HB PRO 54 -8.353 7.419 -8.444 336 HG2 PRO 54 1HG PRO 54 -10.791 8.196 -9.135 337 HG3 PRO 54 2HG PRO 54 -10.345 6.480 -9.185 338 HD2 PRO 54 1HD PRO 54 -11.955 7.963 -7.144 339 HD3 PRO 54 2HD PRO 54 -12.232 6.356 -7.851 340 H GLU 55 H GLU 55 -10.473 7.838 -4.700 341 HA GLU 55 HA GLU 55 -8.533 9.520 -3.571 342 HB2 GLU 55 1HB GLU 55 -10.886 8.195 -2.213 343 HB3 GLU 55 2HB GLU 55 -10.016 9.601 -1.623 344 HG2 GLU 55 1HG GLU 55 -10.822 10.950 -3.394 345 HG3 GLU 55 2HG GLU 55 -11.467 9.550 -4.250 346 H LEU 56 H LEU 56 -9.524 6.215 -2.851 347 HA LEU 56 HA LEU 56 -7.842 5.815 -0.634 348 HB2 LEU 56 1HB LEU 56 -9.108 3.904 -2.592 349 HB3 LEU 56 2HB LEU 56 -8.083 3.344 -1.286 350 HG LEU 56 HG LEU 56 -10.372 3.062 -0.641 351 HD11 LEU 56 1HD1 LEU 56 -9.218 5.432 0.806 352 HD12 LEU 56 2HD1 LEU 56 -8.846 3.737 1.119 353 HD13 LEU 56 3HD1 LEU 56 -10.473 4.350 1.413 354 HD21 LEU 56 3HD2 LEU 56 -11.954 4.915 -0.476 355 HD22 LEU 56 1HD2 LEU 56 -11.411 4.681 -2.137 356 HD23 LEU 56 2HD2 LEU 56 -10.756 6.005 -1.174 357 H SER 57 H SER 57 -7.450 4.838 -4.050 358 HA SER 57 HA SER 57 -4.860 3.829 -3.837 359 HB2 SER 57 1HB SER 57 -6.064 5.129 -6.276 360 HB3 SER 57 2HB SER 57 -4.841 3.860 -6.227 361 HG SER 57 HG SER 57 -6.992 3.106 -6.665 362 H ALA 58 H ALA 58 -5.713 6.983 -3.343 363 HA ALA 58 HA ALA 58 -3.245 8.079 -4.495 364 HB1 ALA 58 3HB ALA 58 -4.256 10.287 -4.204 365 HB2 ALA 58 1HB ALA 58 -5.682 9.547 -3.477 366 HB3 ALA 58 2HB ALA 58 -5.296 9.241 -5.170 367 H LYS 59 H LYS 59 -5.117 7.722 -1.562 368 HA LYS 59 HA LYS 59 -3.089 9.090 0.021 369 HB2 LYS 59 1HB LYS 59 -5.461 9.585 0.429 370 HB3 LYS 59 2HB LYS 59 -5.743 7.898 0.827 371 HG2 LYS 59 1HG LYS 59 -4.315 8.089 2.779 372 HG3 LYS 59 2HG LYS 59 -3.933 9.759 2.356 373 HD2 LYS 59 1HD LYS 59 -5.635 9.684 4.100 374 HD3 LYS 59 2HD LYS 59 -6.305 10.356 2.614 375 HE2 LYS 59 1HE LYS 59 -7.278 8.157 2.085 376 HE3 LYS 59 2HE LYS 59 -6.637 7.522 3.598 377 HZ1 LYS 59 3HZ LYS 59 -8.592 9.737 3.357 378 HZ2 LYS 59 1HZ LYS 59 -8.021 9.080 4.804 379 HZ3 LYS 59 2HZ LYS 59 -8.972 8.147 3.764 380 H VAL 60 H VAL 60 -4.243 5.866 -0.651 381 HA VAL 60 HA VAL 60 -3.209 4.559 1.625 382 HB VAL 60 HB VAL 60 -4.898 3.616 -0.028 383 HG11 VAL 60 1HG1 VAL 60 -3.681 4.021 -2.085 384 HG12 VAL 60 2HG1 VAL 60 -4.033 2.302 -1.902 385 HG13 VAL 60 3HG1 VAL 60 -2.410 2.911 -1.574 386 HG21 VAL 60 3HG2 VAL 60 -2.587 1.856 0.793 387 HG22 VAL 60 1HG2 VAL 60 -4.195 1.292 0.337 388 HG23 VAL 60 2HG2 VAL 60 -3.984 2.275 1.784 389 H VAL 61 H VAL 61 -1.628 5.787 -1.150 390 HA VAL 61 HA VAL 61 0.785 4.215 -0.532 391 HB VAL 61 HB VAL 61 0.025 4.225 -2.902 392 HG11 VAL 61 1HG1 VAL 61 -0.890 6.458 -3.040 393 HG12 VAL 61 2HG1 VAL 61 0.344 6.225 -4.279 394 HG13 VAL 61 3HG1 VAL 61 0.718 7.153 -2.827 395 HG21 VAL 61 3HG2 VAL 61 2.712 5.516 -2.433 396 HG22 VAL 61 1HG2 VAL 61 2.222 4.682 -3.907 397 HG23 VAL 61 2HG2 VAL 61 2.364 3.788 -2.394 398 H GLU 62 H GLU 62 -0.618 7.214 -0.128 399 HA GLU 62 HA GLU 62 1.813 8.792 -0.097 400 HB2 GLU 62 1HB GLU 62 -0.237 9.815 -0.923 401 HB3 GLU 62 2HB GLU 62 -1.028 9.522 0.616 402 HG2 GLU 62 1HG GLU 62 0.407 11.089 1.718 403 HG3 GLU 62 2HG GLU 62 1.376 11.291 0.261 404 H LYS 63 H LYS 63 -0.727 8.133 2.287 405 HA LYS 63 HA LYS 63 0.866 9.006 4.480 406 HB2 LYS 63 1HB LYS 63 -1.614 9.087 4.434 407 HB3 LYS 63 2HB LYS 63 -1.651 7.332 4.470 408 HG2 LYS 63 1HG LYS 63 -0.733 7.282 6.653 409 HG3 LYS 63 2HG LYS 63 -0.405 9.017 6.614 410 HD2 LYS 63 1HD LYS 63 -2.816 9.460 6.470 411 HD3 LYS 63 2HD LYS 63 -3.132 7.723 6.536 412 HE2 LYS 63 1HE LYS 63 -2.190 7.593 8.744 413 HE3 LYS 63 2HE LYS 63 -1.692 9.280 8.675 414 HZ1 LYS 63 3HZ LYS 63 -3.729 8.936 9.964 415 HZ2 LYS 63 1HZ LYS 63 -4.509 8.345 8.590 416 HZ3 LYS 63 2HZ LYS 63 -3.988 9.949 8.636 417 H LEU 64 H LEU 64 0.309 6.072 2.882 418 HA LEU 64 HA LEU 64 1.101 4.111 4.668 419 HB2 LEU 64 1HB LEU 64 0.252 3.684 2.420 420 HB3 LEU 64 2HB LEU 64 1.787 4.207 1.738 421 HG LEU 64 HG LEU 64 2.848 2.300 3.004 422 HD11 LEU 64 1HD1 LEU 64 1.286 0.480 3.644 423 HD12 LEU 64 2HD1 LEU 64 -0.046 1.616 3.436 424 HD13 LEU 64 3HD1 LEU 64 1.184 1.913 4.665 425 HD21 LEU 64 3HD2 LEU 64 2.121 0.614 1.383 426 HD22 LEU 64 1HD2 LEU 64 2.391 2.176 0.610 427 HD23 LEU 64 2HD2 LEU 64 0.748 1.629 0.943 428 H ASN 65 H ASN 65 3.265 5.797 2.368 429 HA ASN 65 HA ASN 65 5.614 4.545 3.299 430 HB2 ASN 65 1HB ASN 65 5.470 5.602 1.108 431 HB3 ASN 65 2HB ASN 65 5.343 7.192 1.857 432 HD21 ASN 65 2HD2 ASN 65 7.199 8.039 1.014 433 HD22 ASN 65 1HD2 ASN 65 8.780 7.464 1.405 434 H GLN 66 H GLN 66 3.848 7.290 4.421 435 HA GLN 66 HA GLN 66 5.863 8.528 5.972 436 HB2 GLN 66 1HB GLN 66 3.243 9.082 5.414 437 HB3 GLN 66 2HB GLN 66 3.124 8.541 7.080 438 HG2 GLN 66 1HG GLN 66 3.374 10.839 7.248 439 HG3 GLN 66 2HG GLN 66 4.990 10.216 7.566 440 HE21 GLN 66 2HE2 GLN 66 5.412 9.610 4.699 441 HE22 GLN 66 1HE2 GLN 66 5.730 11.126 3.949 442 H VAL 67 H VAL 67 3.351 6.203 6.801 443 HA VAL 67 HA VAL 67 4.145 5.650 9.427 444 HB VAL 67 HB VAL 67 2.817 3.744 7.493 445 HG11 VAL 67 1HG1 VAL 67 2.798 3.812 10.504 446 HG12 VAL 67 2HG1 VAL 67 3.623 2.629 9.490 447 HG13 VAL 67 3HG1 VAL 67 1.861 2.711 9.496 448 HG21 VAL 67 3HG2 VAL 67 1.590 5.839 7.588 449 HG22 VAL 67 1HG2 VAL 67 1.580 5.775 9.350 450 HG23 VAL 67 2HG2 VAL 67 0.692 4.569 8.419 451 H CYS 68 H CYS 68 5.052 4.093 6.369 452 HA CYS 68 HA CYS 68 6.601 2.038 7.505 453 HB2 CYS 68 1HB CYS 68 6.878 3.246 4.761 454 HB3 CYS 68 2HB CYS 68 7.338 1.620 5.266 455 H ALA 69 H ALA 69 7.427 5.266 6.338 456 HA ALA 69 HA ALA 69 10.186 5.167 6.595 457 HB1 ALA 69 3HB ALA 69 10.131 7.588 6.839 458 HB2 ALA 69 1HB ALA 69 8.410 7.525 7.213 459 HB3 ALA 69 2HB ALA 69 8.981 7.058 5.612 460 H LYS 70 H LYS 70 7.826 5.069 9.069 461 HA LYS 70 HA LYS 70 9.662 5.910 11.168 462 HB2 LYS 70 1HB LYS 70 6.858 4.814 11.415 463 HB3 LYS 70 2HB LYS 70 7.790 5.594 12.684 464 HG2 LYS 70 1HG LYS 70 7.720 7.698 11.477 465 HG3 LYS 70 2HG LYS 70 6.857 6.924 10.146 466 HD2 LYS 70 1HD LYS 70 5.225 8.047 11.457 467 HD3 LYS 70 2HD LYS 70 5.060 6.327 11.810 468 HE2 LYS 70 1HE LYS 70 6.491 6.690 13.834 469 HE3 LYS 70 2HE LYS 70 6.419 8.417 13.504 470 HZ1 LYS 70 3HZ LYS 70 4.764 7.804 15.122 471 HZ2 LYS 70 1HZ LYS 70 4.108 6.649 14.078 472 HZ3 LYS 70 2HZ LYS 70 3.999 8.295 13.703 473 H ASP 71 H ASP 71 8.427 3.001 9.706 474 HA ASP 71 HA ASP 71 10.188 1.413 11.393 475 HB2 ASP 71 1HB ASP 71 8.034 1.284 12.548 476 HB3 ASP 71 2HB ASP 71 7.248 0.780 11.055 477 HA PRO 72 HA PRO 72 10.826 0.333 7.027 478 HB2 PRO 72 1HB PRO 72 13.142 -1.057 8.239 479 HB3 PRO 72 2HB PRO 72 13.097 0.109 6.915 480 HG2 PRO 72 1HG PRO 72 14.020 0.814 9.309 481 HG3 PRO 72 2HG PRO 72 13.040 1.934 8.344 482 HD2 PRO 72 1HD PRO 72 12.238 0.245 10.684 483 HD3 PRO 72 2HD PRO 72 11.811 1.930 10.307 484 H GLN 73 H GLN 73 10.480 -1.723 9.804 485 HA GLN 73 HA GLN 73 10.678 -4.208 8.524 486 HB2 GLN 73 1HB GLN 73 9.101 -3.487 10.986 487 HB3 GLN 73 2HB GLN 73 9.602 -5.105 10.510 488 HG2 GLN 73 1HG GLN 73 11.926 -4.497 10.769 489 HG3 GLN 73 2HG GLN 73 11.471 -2.840 11.159 490 HE21 GLN 73 2HE2 GLN 73 10.481 -2.410 13.132 491 HE22 GLN 73 1HE2 GLN 73 10.602 -3.517 14.459 492 H MET 74 H MET 74 8.463 -1.869 7.893 493 HA MET 74 HA MET 74 6.163 -3.592 7.579 494 HB2 MET 74 1HB MET 74 6.658 -0.681 7.344 495 HB3 MET 74 2HB MET 74 5.362 -1.351 6.366 496 HG2 MET 74 1HG MET 74 5.617 -1.630 9.349 497 HG3 MET 74 2HG MET 74 4.563 -0.492 8.508 498 HE1 MET 74 3HE MET 74 2.008 -3.094 9.945 499 HE2 MET 74 1HE MET 74 2.488 -1.398 9.885 500 HE3 MET 74 2HE MET 74 3.501 -2.575 10.724 501 H LEU 75 H LEU 75 6.354 -5.033 6.017 502 HA LEU 75 HA LEU 75 7.556 -4.497 3.459 503 HB2 LEU 75 1HB LEU 75 5.748 -6.753 4.344 504 HB3 LEU 75 2HB LEU 75 6.691 -6.717 2.868 505 HG LEU 75 HG LEU 75 7.872 -6.713 5.645 506 HD11 LEU 75 1HD1 LEU 75 8.475 -9.034 5.187 507 HD12 LEU 75 2HD1 LEU 75 7.591 -8.966 3.663 508 HD13 LEU 75 3HD1 LEU 75 6.726 -8.810 5.193 509 HD21 LEU 75 3HD2 LEU 75 9.299 -5.654 3.977 510 HD22 LEU 75 1HD2 LEU 75 9.136 -7.061 2.927 511 HD23 LEU 75 2HD2 LEU 75 9.964 -7.206 4.477 512 H LEU 76 H LEU 76 6.247 -4.793 1.420 513 HA LEU 76 HA LEU 76 4.244 -2.833 1.340 514 HB2 LEU 76 1HB LEU 76 5.595 -3.532 -0.607 515 HB3 LEU 76 2HB LEU 76 4.710 -5.049 -0.653 516 HG LEU 76 HG LEU 76 2.623 -3.776 -1.093 517 HD11 LEU 76 1HD1 LEU 76 3.230 -1.655 -0.087 518 HD12 LEU 76 2HD1 LEU 76 2.795 -1.428 -1.781 519 HD13 LEU 76 3HD1 LEU 76 4.490 -1.418 -1.298 520 HD21 LEU 76 3HD2 LEU 76 4.876 -3.287 -3.034 521 HD22 LEU 76 1HD2 LEU 76 3.155 -3.208 -3.412 522 HD23 LEU 76 2HD2 LEU 76 3.882 -4.742 -2.932 523 H ILE 77 H ILE 77 4.024 -6.331 1.580 524 HA ILE 77 HA ILE 77 1.244 -6.570 1.230 525 HB ILE 77 HB ILE 77 3.167 -8.345 2.748 526 HG12 ILE 77 1HG1 ILE 77 3.631 -8.143 0.341 527 HG13 ILE 77 2HG1 ILE 77 3.086 -9.763 0.757 528 HG21 ILE 77 1HG2 ILE 77 0.913 -8.725 3.574 529 HG22 ILE 77 2HG2 ILE 77 1.447 -10.096 2.602 530 HG23 ILE 77 3HG2 ILE 77 0.320 -8.920 1.925 531 HD11 ILE 77 3HD1 ILE 77 1.432 -7.601 -0.540 532 HD12 ILE 77 1HD1 ILE 77 0.844 -9.198 -0.079 533 HD13 ILE 77 2HD1 ILE 77 2.086 -9.039 -1.317 534 H THR 78 H THR 78 3.193 -6.208 4.208 535 HA THR 78 HA THR 78 0.850 -6.387 5.849 536 HB THR 78 HB THR 78 2.461 -5.717 7.698 537 HG1 THR 78 HG1 THR 78 4.460 -5.286 7.189 538 HG21 THR 78 3HG2 THR 78 1.853 -8.045 7.230 539 HG22 THR 78 1HG2 THR 78 3.544 -7.914 7.715 540 HG23 THR 78 2HG2 THR 78 3.129 -8.136 6.015 541 H ALA 79 H ALA 79 2.967 -3.787 4.774 542 HA ALA 79 HA ALA 79 2.000 -1.680 6.243 543 HB1 ALA 79 3HB ALA 79 2.734 -1.481 3.333 544 HB2 ALA 79 1HB ALA 79 3.906 -1.635 4.641 545 HB3 ALA 79 2HB ALA 79 2.855 -0.226 4.568 546 H ILE 80 H ILE 80 0.688 -2.762 3.092 547 HA ILE 80 HA ILE 80 -1.432 -0.873 3.064 548 HB ILE 80 HB ILE 80 -1.265 -3.552 1.649 549 HG12 ILE 80 1HG1 ILE 80 -0.570 -0.770 0.673 550 HG13 ILE 80 2HG1 ILE 80 0.593 -2.017 1.105 551 HG21 ILE 80 1HG2 ILE 80 -3.042 -1.169 1.113 552 HG22 ILE 80 2HG2 ILE 80 -3.558 -2.733 1.743 553 HG23 ILE 80 3HG2 ILE 80 -2.927 -2.607 0.101 554 HD11 ILE 80 3HD1 ILE 80 0.324 -1.847 -1.301 555 HD12 ILE 80 1HD1 ILE 80 -1.403 -2.172 -1.143 556 HD13 ILE 80 2HD1 ILE 80 -0.227 -3.414 -0.714 557 H ASP 81 H ASP 81 -1.126 -4.143 4.242 558 HA ASP 81 HA ASP 81 -3.804 -4.636 4.934 559 HB2 ASP 81 1HB ASP 81 -2.149 -6.414 4.801 560 HB3 ASP 81 2HB ASP 81 -1.206 -5.678 6.086 561 H ASP 82 H ASP 82 -1.220 -2.909 6.524 562 HA ASP 82 HA ASP 82 -2.551 -2.692 9.061 563 HB2 ASP 82 1HB ASP 82 -0.113 -2.722 8.961 564 HB3 ASP 82 2HB ASP 82 -0.118 -1.250 7.996 565 H THR 83 H THR 83 -2.082 -0.538 6.252 566 HA THR 83 HA THR 83 -3.224 1.714 7.494 567 HB THR 83 HB THR 83 -3.687 2.302 4.944 568 HG1 THR 83 HG1 THR 83 -1.525 0.513 4.631 569 HG21 THR 83 3HG2 THR 83 -2.075 3.437 6.398 570 HG22 THR 83 1HG2 THR 83 -1.385 3.147 4.801 571 HG23 THR 83 2HG2 THR 83 -0.924 2.121 6.159 572 H MET 84 H MET 84 -4.587 -1.071 5.888 573 HA MET 84 HA MET 84 -7.208 -0.115 5.515 574 HB2 MET 84 1HB MET 84 -6.544 -2.235 4.530 575 HB3 MET 84 2HB MET 84 -6.254 -2.922 6.124 576 HG2 MET 84 1HG MET 84 -8.719 -2.430 6.576 577 HG3 MET 84 2HG MET 84 -8.865 -2.215 4.839 578 HE1 MET 84 3HE MET 84 -7.739 -6.122 6.984 579 HE2 MET 84 1HE MET 84 -8.140 -4.594 7.769 580 HE3 MET 84 2HE MET 84 -6.618 -4.761 6.887 581 H ARG 85 H ARG 85 -5.480 -1.169 8.320 582 HA ARG 85 HA ARG 85 -7.771 -1.554 9.992 583 HB2 ARG 85 1HB ARG 85 -4.924 -0.956 10.813 584 HB3 ARG 85 2HB ARG 85 -6.183 -1.646 11.828 585 HG2 ARG 85 1HG ARG 85 -6.222 -3.643 10.436 586 HG3 ARG 85 2HG ARG 85 -4.981 -2.947 9.394 587 HD2 ARG 85 1HD ARG 85 -3.986 -4.505 10.968 588 HD3 ARG 85 2HD ARG 85 -3.445 -2.862 11.305 589 HE ARG 85 HE ARG 85 -4.873 -2.814 13.210 590 HH11 ARG 85 1HH1 ARG 85 -4.612 -5.965 11.682 591 HH12 ARG 85 2HH1 ARG 85 -5.153 -6.826 13.078 592 HH21 ARG 85 1HH2 ARG 85 -5.605 -3.971 15.057 593 HH22 ARG 85 2HH2 ARG 85 -5.719 -5.696 14.995 594 H ALA 86 H ALA 86 -5.484 1.040 9.391 595 HA ALA 86 HA ALA 86 -6.482 2.872 11.266 596 HB1 ALA 86 3HB ALA 86 -5.019 3.379 8.683 597 HB2 ALA 86 1HB ALA 86 -4.292 3.116 10.267 598 HB3 ALA 86 2HB ALA 86 -5.265 4.556 9.972 599 H ILE 87 H ILE 87 -7.265 2.418 7.780 600 HA ILE 87 HA ILE 87 -9.274 4.512 7.978 601 HB ILE 87 HB ILE 87 -9.657 4.132 5.595 602 HG12 ILE 87 1HG1 ILE 87 -7.578 1.943 5.822 603 HG13 ILE 87 2HG1 ILE 87 -9.304 1.676 5.606 604 HG21 ILE 87 1HG2 ILE 87 -6.723 4.273 6.276 605 HG22 ILE 87 2HG2 ILE 87 -7.851 5.627 6.259 606 HG23 ILE 87 3HG2 ILE 87 -7.453 4.794 4.758 607 HD11 ILE 87 3HD1 ILE 87 -7.476 3.072 3.663 608 HD12 ILE 87 1HD1 ILE 87 -9.202 2.788 3.439 609 HD13 ILE 87 2HD1 ILE 87 -8.088 1.424 3.516 610 H GLY 88 H GLY 88 -9.148 1.354 8.808 611 HA2 GLY 88 1HA GLY 88 -11.773 0.582 7.838 612 HA3 GLY 88 2HA GLY 88 -10.676 -0.407 8.796 613 H LYS 89 H LYS 89 -13.180 1.942 8.835 614 HA LYS 89 HA LYS 89 -13.151 2.561 11.584 615 HB2 LYS 89 1HB LYS 89 -15.418 2.634 9.597 616 HB3 LYS 89 2HB LYS 89 -15.464 3.346 11.202 617 HG2 LYS 89 1HG LYS 89 -13.689 4.878 10.608 618 HG3 LYS 89 2HG LYS 89 -13.545 4.123 9.018 619 HD2 LYS 89 1HD LYS 89 -15.841 4.783 8.502 620 HD3 LYS 89 2HD LYS 89 -15.985 5.533 10.092 621 HE2 LYS 89 1HE LYS 89 -14.237 7.111 9.539 622 HE3 LYS 89 2HE LYS 89 -13.981 6.321 7.984 623 HZ1 LYS 89 3HZ LYS 89 -16.508 7.625 8.817 624 HZ2 LYS 89 1HZ LYS 89 -16.168 6.960 7.299 625 HZ3 LYS 89 2HZ LYS 89 -15.339 8.335 7.828 626 H LYS 90 H LYS 90 -13.593 1.316 13.228 627 HA LYS 90 HA LYS 90 -15.212 -1.085 12.831 628 HB2 LYS 90 1HB LYS 90 -13.000 -1.446 13.815 629 HB3 LYS 90 2HB LYS 90 -13.357 -0.291 15.087 630 HG2 LYS 90 1HG LYS 90 -15.170 -1.768 15.875 631 HG3 LYS 90 2HG LYS 90 -14.706 -2.943 14.643 632 HD2 LYS 90 1HD LYS 90 -12.490 -3.128 15.639 633 HD3 LYS 90 2HD LYS 90 -12.925 -1.925 16.852 634 HE2 LYS 90 1HE LYS 90 -14.678 -3.404 17.691 635 HE3 LYS 90 2HE LYS 90 -14.255 -4.604 16.470 636 HZ1 LYS 90 3HZ LYS 90 -12.064 -4.784 17.472 637 HZ2 LYS 90 1HZ LYS 90 -13.270 -5.131 18.603 638 HZ3 LYS 90 2HZ LYS 90 -12.477 -3.642 18.645 Start of MODEL 10 1 H ASN 7 H ASN 7 14.680 -19.033 -3.095 2 HA ASN 7 HA ASN 7 16.126 -20.185 -0.893 3 HB2 ASN 7 1HB ASN 7 17.428 -18.076 -0.824 4 HB3 ASN 7 2HB ASN 7 17.397 -18.793 -2.421 5 HD21 ASN 7 2HD2 ASN 7 14.846 -16.806 -0.944 6 HD22 ASN 7 1HD2 ASN 7 14.985 -15.515 -2.082 7 H GLY 8 H GLY 8 13.154 -18.992 -0.989 8 HA2 GLY 8 1HA GLY 8 11.742 -18.713 0.833 9 HA3 GLY 8 2HA GLY 8 13.149 -18.634 1.881 10 H LEU 9 H LEU 9 12.422 -16.644 -0.945 11 HA LEU 9 HA LEU 9 11.762 -14.406 0.769 12 HB2 LEU 9 1HB LEU 9 14.217 -14.305 0.610 13 HB3 LEU 9 2HB LEU 9 14.103 -14.281 -1.137 14 HG LEU 9 HG LEU 9 12.908 -12.103 -0.992 15 HD11 LEU 9 1HD1 LEU 9 12.002 -12.310 1.251 16 HD12 LEU 9 2HD1 LEU 9 12.988 -10.856 1.110 17 HD13 LEU 9 3HD1 LEU 9 13.630 -12.279 1.929 18 HD21 LEU 9 3HD2 LEU 9 15.629 -12.203 0.309 19 HD22 LEU 9 1HD2 LEU 9 14.896 -10.784 -0.439 20 HD23 LEU 9 2HD2 LEU 9 15.304 -12.187 -1.426 21 HA PRO 10 HA PRO 10 9.307 -14.491 -3.146 22 HB2 PRO 10 1HB PRO 10 7.144 -13.719 -1.304 23 HB3 PRO 10 2HB PRO 10 7.204 -15.063 -2.447 24 HG2 PRO 10 1HG PRO 10 7.313 -15.460 0.210 25 HG3 PRO 10 2HG PRO 10 8.203 -16.486 -0.930 26 HD2 PRO 10 1HD PRO 10 9.199 -14.220 0.759 27 HD3 PRO 10 2HD PRO 10 9.951 -15.799 0.436 28 H SER 11 H SER 11 8.175 -12.683 -4.146 29 HA SER 11 HA SER 11 9.442 -10.234 -3.713 30 HB2 SER 11 1HB SER 11 6.872 -10.777 -5.202 31 HB3 SER 11 2HB SER 11 7.854 -9.319 -5.343 32 HG SER 11 HG SER 11 8.231 -11.805 -6.447 33 H GLU 12 H GLU 12 6.397 -11.490 -2.490 34 HA GLU 12 HA GLU 12 5.302 -9.106 -1.486 35 HB2 GLU 12 1HB GLU 12 5.071 -11.945 -0.487 36 HB3 GLU 12 2HB GLU 12 4.125 -10.613 0.156 37 HG2 GLU 12 1HG GLU 12 3.121 -10.267 -2.044 38 HG3 GLU 12 2HG GLU 12 4.072 -11.603 -2.686 39 H THR 13 H THR 13 7.724 -11.286 -0.194 40 HA THR 13 HA THR 13 7.859 -9.947 2.365 41 HB THR 13 HB THR 13 9.832 -11.969 1.332 42 HG1 THR 13 HG1 THR 13 7.346 -12.665 2.544 43 HG21 THR 13 3HG2 THR 13 9.869 -12.673 3.680 44 HG22 THR 13 1HG2 THR 13 8.628 -11.478 4.067 45 HG23 THR 13 2HG2 THR 13 10.227 -10.951 3.541 46 H TYR 14 H TYR 14 9.106 -9.480 -0.722 47 HA TYR 14 HA TYR 14 11.574 -8.240 0.214 48 HB2 TYR 14 1HB TYR 14 11.835 -9.900 -1.512 49 HB3 TYR 14 2HB TYR 14 10.605 -9.133 -2.500 50 HD1 TYR 14 HD1 TYR 14 13.972 -8.525 -1.030 51 HD2 TYR 14 HD2 TYR 14 11.224 -7.644 -4.149 52 HE1 TYR 14 HE1 TYR 14 15.718 -7.262 -2.206 53 HE2 TYR 14 HE2 TYR 14 12.947 -6.383 -5.331 54 HH TYR 14 HH TYR 14 16.241 -6.532 -4.477 55 H ILE 15 H ILE 15 8.437 -7.327 -0.516 56 HA ILE 15 HA ILE 15 9.297 -4.749 -1.623 57 HB ILE 15 HB ILE 15 7.680 -5.926 -3.030 58 HG12 ILE 15 1HG1 ILE 15 6.563 -3.452 -1.693 59 HG13 ILE 15 2HG1 ILE 15 7.672 -3.491 -3.058 60 HG21 ILE 15 1HG2 ILE 15 5.798 -5.730 -0.678 61 HG22 ILE 15 2HG2 ILE 15 6.502 -7.209 -1.333 62 HG23 ILE 15 3HG2 ILE 15 5.363 -6.272 -2.300 63 HD11 ILE 15 3HD1 ILE 15 5.929 -4.586 -4.403 64 HD12 ILE 15 1HD1 ILE 15 5.439 -2.998 -3.807 65 HD13 ILE 15 2HD1 ILE 15 4.828 -4.458 -3.029 66 H THR 16 H THR 16 9.202 -2.972 -0.450 67 HA THR 16 HA THR 16 7.573 -2.985 1.993 68 HB THR 16 HB THR 16 9.094 -1.228 2.841 69 HG1 THR 16 HG1 THR 16 10.992 -1.735 0.857 70 HG21 THR 16 3HG2 THR 16 11.079 -2.637 3.194 71 HG22 THR 16 1HG2 THR 16 10.544 -3.709 1.900 72 HG23 THR 16 2HG2 THR 16 9.594 -3.569 3.378 73 H CYS 17 H CYS 17 6.843 -0.691 2.594 74 HA CYS 17 HA CYS 17 5.402 0.345 0.342 75 HB2 CYS 17 1HB CYS 17 4.306 1.799 1.936 76 HB3 CYS 17 2HB CYS 17 4.396 0.173 2.601 77 H ALA 18 H ALA 18 8.353 1.095 1.928 78 HA ALA 18 HA ALA 18 8.476 3.848 1.111 79 HB1 ALA 18 3HB ALA 18 10.642 2.009 2.124 80 HB2 ALA 18 1HB ALA 18 9.678 3.124 3.093 81 HB3 ALA 18 2HB ALA 18 10.803 3.749 1.889 82 H GLU 19 H GLU 19 9.787 0.783 -0.033 83 HA GLU 19 HA GLU 19 11.331 1.883 -2.132 84 HB2 GLU 19 1HB GLU 19 10.236 -0.882 -1.672 85 HB3 GLU 19 2HB GLU 19 11.262 -0.474 -3.042 86 HG2 GLU 19 1HG GLU 19 13.071 0.112 -1.599 87 HG3 GLU 19 2HG GLU 19 12.049 -0.044 -0.173 88 H ALA 20 H ALA 20 7.973 1.314 -1.777 89 HA ALA 20 HA ALA 20 7.234 1.114 -4.483 90 HB1 ALA 20 3HB ALA 20 5.693 2.297 -2.169 91 HB2 ALA 20 1HB ALA 20 5.683 0.606 -2.667 92 HB3 ALA 20 2HB ALA 20 5.012 1.843 -3.731 93 H ASN 21 H ASN 21 8.061 3.779 -2.408 94 HA ASN 21 HA ASN 21 7.168 5.861 -4.170 95 HB2 ASN 21 1HB ASN 21 7.438 6.356 -1.818 96 HB3 ASN 21 2HB ASN 21 9.133 5.891 -1.867 97 HD21 ASN 21 2HD2 ASN 21 6.806 8.333 -2.741 98 HD22 ASN 21 1HD2 ASN 21 7.955 9.569 -3.119 99 H GLU 22 H GLU 22 10.127 4.181 -3.541 100 HA GLU 22 HA GLU 22 11.815 5.583 -5.257 101 HB2 GLU 22 1HB GLU 22 12.608 3.901 -3.633 102 HB3 GLU 22 2HB GLU 22 11.908 2.629 -4.625 103 HG2 GLU 22 1HG GLU 22 14.274 2.749 -5.005 104 HG3 GLU 22 2HG GLU 22 13.411 3.253 -6.457 105 H MET 23 H MET 23 9.956 2.598 -5.950 106 HA MET 23 HA MET 23 10.611 2.512 -8.677 107 HB2 MET 23 1HB MET 23 8.139 1.430 -7.315 108 HB3 MET 23 2HB MET 23 8.663 1.010 -8.938 109 HG2 MET 23 1HG MET 23 10.798 0.161 -7.907 110 HG3 MET 23 2HG MET 23 10.025 0.369 -6.337 111 HE1 MET 23 3HE MET 23 6.942 -0.430 -7.316 112 HE2 MET 23 1HE MET 23 7.655 -0.827 -5.751 113 HE3 MET 23 2HE MET 23 6.935 -2.097 -6.741 114 H ALA 24 H ALA 24 7.917 3.992 -7.046 115 HA ALA 24 HA ALA 24 6.291 4.899 -9.025 116 HB1 ALA 24 3HB ALA 24 5.990 5.349 -6.598 117 HB2 ALA 24 1HB ALA 24 5.626 6.732 -7.633 118 HB3 ALA 24 2HB ALA 24 7.148 6.669 -6.748 119 H LYS 25 H LYS 25 9.460 6.135 -8.340 120 HA LYS 25 HA LYS 25 9.289 8.531 -9.833 121 HB2 LYS 25 1HB LYS 25 11.756 6.913 -9.215 122 HB3 LYS 25 2HB LYS 25 11.725 8.590 -9.737 123 HG2 LYS 25 1HG LYS 25 10.471 9.151 -7.673 124 HG3 LYS 25 2HG LYS 25 10.681 7.481 -7.143 125 HD2 LYS 25 1HD LYS 25 13.123 7.777 -7.310 126 HD3 LYS 25 2HD LYS 25 12.868 9.472 -7.734 127 HE2 LYS 25 1HE LYS 25 13.364 9.378 -5.404 128 HE3 LYS 25 2HE LYS 25 11.649 9.735 -5.567 129 HZ1 LYS 25 3HZ LYS 25 12.800 7.057 -5.029 130 HZ2 LYS 25 1HZ LYS 25 11.146 7.432 -5.120 131 HZ3 LYS 25 2HZ LYS 25 12.088 8.068 -3.867 132 H THR 26 H THR 26 10.020 5.270 -10.700 133 HA THR 26 HA THR 26 10.622 6.105 -13.441 134 HB THR 26 HB THR 26 11.266 3.731 -13.820 135 HG1 THR 26 HG1 THR 26 10.147 2.562 -12.358 136 HG21 THR 26 3HG2 THR 26 12.621 5.009 -11.435 137 HG22 THR 26 1HG2 THR 26 12.977 5.348 -13.128 138 HG23 THR 26 2HG2 THR 26 13.314 3.752 -12.459 139 H ASP 27 H ASP 27 8.376 4.340 -11.443 140 HA ASP 27 HA ASP 27 6.455 4.337 -13.645 141 HB2 ASP 27 1HB ASP 27 7.835 2.144 -13.114 142 HB3 ASP 27 2HB ASP 27 6.561 1.951 -11.925 143 H SER 28 H SER 28 5.468 6.032 -12.434 144 HA SER 28 HA SER 28 4.505 5.762 -9.810 145 HB2 SER 28 1HB SER 28 3.283 7.398 -12.042 146 HB3 SER 28 2HB SER 28 3.109 7.674 -10.310 147 HG SER 28 HG SER 28 5.699 7.601 -10.813 148 H ALA 29 H ALA 29 3.359 4.598 -12.865 149 HA ALA 29 HA ALA 29 0.668 4.066 -12.079 150 HB1 ALA 29 3HB ALA 29 2.272 2.836 -14.318 151 HB2 ALA 29 1HB ALA 29 1.335 4.325 -14.429 152 HB3 ALA 29 2HB ALA 29 0.518 2.788 -14.140 153 H GLN 30 H GLN 30 3.594 2.099 -12.369 154 HA GLN 30 HA GLN 30 2.646 -0.416 -11.802 155 HB2 GLN 30 1HB GLN 30 4.978 0.170 -12.418 156 HB3 GLN 30 2HB GLN 30 5.226 0.773 -10.786 157 HG2 GLN 30 1HG GLN 30 6.177 -1.396 -10.925 158 HG3 GLN 30 2HG GLN 30 4.718 -1.507 -9.939 159 HE21 GLN 30 2HE2 GLN 30 6.186 -2.278 -12.975 160 HE22 GLN 30 1HE2 GLN 30 5.007 -3.434 -13.484 161 H VAL 31 H VAL 31 3.582 2.087 -9.496 162 HA VAL 31 HA VAL 31 3.137 0.343 -7.257 163 HB VAL 31 HB VAL 31 3.699 2.237 -5.846 164 HG11 VAL 31 1HG1 VAL 31 5.499 0.942 -6.796 165 HG12 VAL 31 2HG1 VAL 31 5.972 2.637 -6.689 166 HG13 VAL 31 3HG1 VAL 31 5.497 1.949 -8.242 167 HG21 VAL 31 3HG2 VAL 31 3.798 3.855 -8.395 168 HG22 VAL 31 1HG2 VAL 31 4.265 4.418 -6.792 169 HG23 VAL 31 2HG2 VAL 31 2.584 4.009 -7.127 170 H ALA 32 H ALA 32 1.317 2.773 -8.967 171 HA ALA 32 HA ALA 32 -0.635 3.145 -6.920 172 HB1 ALA 32 3HB ALA 32 -1.920 4.336 -8.600 173 HB2 ALA 32 1HB ALA 32 -0.868 3.722 -9.878 174 HB3 ALA 32 2HB ALA 32 -0.230 4.838 -8.670 175 H GLU 33 H GLU 33 -0.175 0.963 -9.598 176 HA GLU 33 HA GLU 33 -2.798 -0.145 -9.482 177 HB2 GLU 33 1HB GLU 33 -0.248 -1.246 -10.674 178 HB3 GLU 33 2HB GLU 33 -1.836 -1.972 -10.872 179 HG2 GLU 33 1HG GLU 33 -0.931 0.717 -11.873 180 HG3 GLU 33 2HG GLU 33 -1.302 -0.715 -12.834 181 H ILE 34 H ILE 34 0.379 -1.432 -8.518 182 HA ILE 34 HA ILE 34 -0.437 -3.731 -7.226 183 HB ILE 34 HB ILE 34 1.847 -1.909 -6.422 184 HG12 ILE 34 1HG1 ILE 34 1.808 -4.415 -8.126 185 HG13 ILE 34 2HG1 ILE 34 1.940 -2.772 -8.742 186 HG21 ILE 34 1HG2 ILE 34 2.807 -3.875 -5.301 187 HG22 ILE 34 2HG2 ILE 34 1.340 -4.787 -5.656 188 HG23 ILE 34 3HG2 ILE 34 1.271 -3.394 -4.577 189 HD11 ILE 34 3HD1 ILE 34 3.938 -4.158 -6.965 190 HD12 ILE 34 1HD1 ILE 34 4.072 -2.511 -7.580 191 HD13 ILE 34 2HD1 ILE 34 4.101 -3.875 -8.698 192 H VAL 35 H VAL 35 -0.023 -0.540 -5.720 193 HA VAL 35 HA VAL 35 -0.882 -1.219 -3.150 194 HB VAL 35 HB VAL 35 -0.903 1.414 -4.635 195 HG11 VAL 35 1HG1 VAL 35 -1.538 1.006 -1.717 196 HG12 VAL 35 2HG1 VAL 35 -2.705 1.461 -2.963 197 HG13 VAL 35 3HG1 VAL 35 -1.379 2.550 -2.555 198 HG21 VAL 35 3HG2 VAL 35 1.279 0.494 -4.074 199 HG22 VAL 35 1HG2 VAL 35 0.797 0.342 -2.385 200 HG23 VAL 35 2HG2 VAL 35 0.948 1.939 -3.118 201 H ALA 36 H ALA 36 -2.776 0.151 -5.832 202 HA ALA 36 HA ALA 36 -5.214 0.239 -4.401 203 HB1 ALA 36 3HB ALA 36 -4.811 0.207 -7.385 204 HB2 ALA 36 1HB ALA 36 -4.796 1.640 -6.358 205 HB3 ALA 36 2HB ALA 36 -6.276 0.696 -6.536 206 H VAL 37 H VAL 37 -3.905 -2.166 -6.681 207 HA VAL 37 HA VAL 37 -6.157 -3.761 -6.924 208 HB VAL 37 HB VAL 37 -3.249 -4.612 -6.953 209 HG11 VAL 37 1HG1 VAL 37 -4.003 -6.675 -8.048 210 HG12 VAL 37 2HG1 VAL 37 -5.681 -6.190 -7.807 211 HG13 VAL 37 3HG1 VAL 37 -4.657 -6.543 -6.415 212 HG21 VAL 37 3HG2 VAL 37 -3.900 -3.049 -8.719 213 HG22 VAL 37 1HG2 VAL 37 -5.232 -4.110 -9.175 214 HG23 VAL 37 2HG2 VAL 37 -3.566 -4.647 -9.382 215 H MET 38 H MET 38 -3.419 -4.700 -4.683 216 HA MET 38 HA MET 38 -4.968 -6.485 -3.284 217 HB2 MET 38 1HB MET 38 -2.557 -4.937 -2.346 218 HB3 MET 38 2HB MET 38 -3.189 -6.401 -1.609 219 HG2 MET 38 1HG MET 38 -2.688 -7.639 -3.657 220 HG3 MET 38 2HG MET 38 -2.042 -6.169 -4.381 221 HE1 MET 38 3HE MET 38 -0.629 -4.973 -1.571 222 HE2 MET 38 1HE MET 38 -0.065 -4.782 -3.234 223 HE3 MET 38 2HE MET 38 1.014 -5.439 -2.006 224 H GLY 39 H GLY 39 -4.454 -3.046 -2.827 225 HA2 GLY 39 1HA GLY 39 -5.427 -2.781 -0.237 226 HA3 GLY 39 2HA GLY 39 -5.514 -1.542 -1.481 227 H ASN 40 H ASN 40 -7.223 -2.378 -3.290 228 HA ASN 40 HA ASN 40 -9.705 -2.072 -1.953 229 HB2 ASN 40 1HB ASN 40 -10.533 -1.558 -4.034 230 HB3 ASN 40 2HB ASN 40 -8.808 -1.451 -4.407 231 HD21 ASN 40 2HD2 ASN 40 -7.872 -2.925 -5.683 232 HD22 ASN 40 1HD2 ASN 40 -8.738 -4.118 -6.586 233 H ALA 41 H ALA 41 -7.998 -4.766 -3.427 234 HA ALA 41 HA ALA 41 -10.131 -6.603 -3.378 235 HB1 ALA 41 3HB ALA 41 -8.132 -6.926 -4.756 236 HB2 ALA 41 1HB ALA 41 -8.446 -8.321 -3.724 237 HB3 ALA 41 2HB ALA 41 -7.172 -7.176 -3.298 238 H SER 42 H SER 42 -7.773 -5.647 -0.901 239 HA SER 42 HA SER 42 -8.595 -7.814 0.790 240 HB2 SER 42 1HB SER 42 -6.238 -7.092 0.805 241 HB3 SER 42 2HB SER 42 -6.727 -5.475 1.301 242 HG SER 42 HG SER 42 -6.898 -6.136 3.277 243 H VAL 43 H VAL 43 -9.043 -4.302 0.610 244 HA VAL 43 HA VAL 43 -10.267 -4.182 3.192 245 HB VAL 43 HB VAL 43 -9.062 -2.235 2.222 246 HG11 VAL 43 1HG1 VAL 43 -11.531 -1.928 0.525 247 HG12 VAL 43 2HG1 VAL 43 -9.907 -2.319 -0.043 248 HG13 VAL 43 3HG1 VAL 43 -10.230 -0.746 0.685 249 HG21 VAL 43 3HG2 VAL 43 -10.560 -0.562 3.136 250 HG22 VAL 43 1HG2 VAL 43 -10.578 -2.012 4.135 251 HG23 VAL 43 2HG2 VAL 43 -11.911 -1.689 3.032 252 H ALA 44 H ALA 44 -11.706 -4.234 -0.171 253 HA ALA 44 HA ALA 44 -14.283 -3.749 0.901 254 HB1 ALA 44 3HB ALA 44 -14.985 -4.137 -1.417 255 HB2 ALA 44 1HB ALA 44 -13.350 -4.664 -1.821 256 HB3 ALA 44 2HB ALA 44 -13.641 -2.998 -1.332 257 H SER 45 H SER 45 -12.244 -6.349 0.788 258 HA SER 45 HA SER 45 -14.382 -8.314 0.432 259 HB2 SER 45 1HB SER 45 -11.420 -8.703 0.828 260 HB3 SER 45 2HB SER 45 -12.584 -10.018 0.659 261 HG SER 45 HG SER 45 -11.544 -8.313 -1.238 262 H ARG 46 H ARG 46 -13.043 -6.564 2.926 263 HA ARG 46 HA ARG 46 -13.815 -8.624 4.857 264 HB2 ARG 46 1HB ARG 46 -11.748 -6.442 5.094 265 HB3 ARG 46 2HB ARG 46 -12.265 -7.449 6.443 266 HG2 ARG 46 1HG ARG 46 -11.246 -9.325 5.631 267 HG3 ARG 46 2HG ARG 46 -11.373 -8.801 3.955 268 HD2 ARG 46 1HD ARG 46 -9.072 -8.751 4.585 269 HD3 ARG 46 2HD ARG 46 -9.634 -7.092 4.424 270 HE ARG 46 HE ARG 46 -9.940 -7.671 7.072 271 HH11 ARG 46 1HH1 ARG 46 -7.291 -7.713 4.794 272 HH12 ARG 46 2HH1 ARG 46 -6.066 -7.397 5.980 273 HH21 ARG 46 1HH2 ARG 46 -8.355 -7.267 8.665 274 HH22 ARG 46 2HH2 ARG 46 -6.684 -7.176 8.214 275 H ASP 47 H ASP 47 -14.497 -5.468 3.746 276 HA ASP 47 HA ASP 47 -16.622 -5.342 5.748 277 HB2 ASP 47 1HB ASP 47 -14.567 -3.262 5.278 278 HB3 ASP 47 2HB ASP 47 -16.222 -2.700 5.493 279 H LEU 48 H LEU 48 -15.447 -4.392 2.603 280 HA LEU 48 HA LEU 48 -16.494 -4.196 0.604 281 HB2 LEU 48 1HB LEU 48 -17.967 -6.024 1.413 282 HB3 LEU 48 2HB LEU 48 -19.069 -4.817 2.042 283 HG LEU 48 HG LEU 48 -19.389 -3.976 -0.284 284 HD11 LEU 48 1HD1 LEU 48 -17.781 -6.423 -0.992 285 HD12 LEU 48 2HD1 LEU 48 -17.318 -4.745 -1.270 286 HD13 LEU 48 3HD1 LEU 48 -18.691 -5.436 -2.135 287 HD21 LEU 48 3HD2 LEU 48 -20.801 -5.853 -0.996 288 HD22 LEU 48 1HD2 LEU 48 -20.990 -5.496 0.722 289 HD23 LEU 48 2HD2 LEU 48 -20.025 -6.880 0.210 290 H LYS 49 H LYS 49 -18.150 -2.618 3.266 291 HA LYS 49 HA LYS 49 -19.275 -0.538 1.647 292 HB2 LYS 49 1HB LYS 49 -19.815 0.514 3.845 293 HB3 LYS 49 2HB LYS 49 -20.407 -1.133 3.664 294 HG2 LYS 49 1HG LYS 49 -18.511 -1.950 4.991 295 HG3 LYS 49 2HG LYS 49 -17.951 -0.288 5.191 296 HD2 LYS 49 1HD LYS 49 -19.937 0.294 6.401 297 HD3 LYS 49 2HD LYS 49 -20.660 -1.277 6.057 298 HE2 LYS 49 1HE LYS 49 -18.853 -2.357 7.344 299 HE3 LYS 49 2HE LYS 49 -18.202 -0.766 7.727 300 HZ1 LYS 49 3HZ LYS 49 -19.587 -1.690 9.508 301 HZ2 LYS 49 1HZ LYS 49 -20.915 -1.711 8.468 302 HZ3 LYS 49 2HZ LYS 49 -20.214 -0.239 8.914 303 H ILE 50 H ILE 50 -16.194 -1.049 2.022 304 HA ILE 50 HA ILE 50 -15.482 1.736 2.605 305 HB ILE 50 HB ILE 50 -13.637 -0.666 2.522 306 HG12 ILE 50 1HG1 ILE 50 -15.195 -0.842 4.412 307 HG13 ILE 50 2HG1 ILE 50 -13.568 -0.489 4.981 308 HG21 ILE 50 1HG2 ILE 50 -13.186 2.181 3.435 309 HG22 ILE 50 2HG2 ILE 50 -12.505 1.423 1.997 310 HG23 ILE 50 3HG2 ILE 50 -12.023 0.868 3.600 311 HD11 ILE 50 3HD1 ILE 50 -14.198 1.866 5.268 312 HD12 ILE 50 1HD1 ILE 50 -15.212 0.783 6.220 313 HD13 ILE 50 2HD1 ILE 50 -15.832 1.484 4.728 314 H GLU 51 H GLU 51 -14.968 2.969 0.955 315 HA GLU 51 HA GLU 51 -14.372 1.709 -1.622 316 HB2 GLU 51 1HB GLU 51 -15.467 4.436 -0.940 317 HB3 GLU 51 2HB GLU 51 -15.019 3.936 -2.565 318 HG2 GLU 51 1HG GLU 51 -17.132 2.651 -0.851 319 HG3 GLU 51 2HG GLU 51 -17.420 3.765 -2.189 320 H GLN 52 H GLN 52 -12.609 2.379 -2.830 321 HA GLN 52 HA GLN 52 -10.809 4.284 -1.527 322 HB2 GLN 52 1HB GLN 52 -10.069 1.577 -2.605 323 HB3 GLN 52 2HB GLN 52 -8.883 2.855 -2.404 324 HG2 GLN 52 1HG GLN 52 -9.621 2.947 0.021 325 HG3 GLN 52 2HG GLN 52 -10.466 1.431 -0.294 326 HE21 GLN 52 2HE2 GLN 52 -7.379 2.978 -0.004 327 HE22 GLN 52 1HE2 GLN 52 -6.437 1.532 0.070 328 H SER 53 H SER 53 -12.352 5.335 -3.423 329 HA SER 53 HA SER 53 -11.496 5.274 -6.017 330 HB2 SER 53 1HB SER 53 -12.239 7.765 -4.466 331 HB3 SER 53 2HB SER 53 -12.506 7.455 -6.181 332 HG SER 53 HG SER 53 -13.935 5.762 -5.561 333 HA PRO 54 HA PRO 54 -7.394 6.847 -6.684 334 HB2 PRO 54 1HB PRO 54 -8.143 9.467 -7.632 335 HB3 PRO 54 2HB PRO 54 -7.537 8.094 -8.555 336 HG2 PRO 54 1HG PRO 54 -10.317 8.992 -8.141 337 HG3 PRO 54 2HG PRO 54 -9.642 7.985 -9.431 338 HD2 PRO 54 1HD PRO 54 -11.243 6.963 -7.536 339 HD3 PRO 54 2HD PRO 54 -9.887 6.035 -8.202 340 H GLU 55 H GLU 55 -9.499 9.467 -5.446 341 HA GLU 55 HA GLU 55 -7.507 10.957 -4.180 342 HB2 GLU 55 1HB GLU 55 -10.416 10.680 -3.429 343 HB3 GLU 55 2HB GLU 55 -9.338 11.941 -2.855 344 HG2 GLU 55 1HG GLU 55 -9.077 12.761 -5.137 345 HG3 GLU 55 2HG GLU 55 -10.144 11.482 -5.719 346 H LEU 56 H LEU 56 -9.583 8.397 -2.890 347 HA LEU 56 HA LEU 56 -8.507 8.581 -0.252 348 HB2 LEU 56 1HB LEU 56 -10.198 6.449 -1.560 349 HB3 LEU 56 2HB LEU 56 -9.727 6.422 0.131 350 HG LEU 56 HG LEU 56 -10.917 8.698 0.307 351 HD11 LEU 56 1HD1 LEU 56 -12.132 7.713 -2.266 352 HD12 LEU 56 2HD1 LEU 56 -11.145 9.161 -2.060 353 HD13 LEU 56 3HD1 LEU 56 -12.728 9.057 -1.293 354 HD21 LEU 56 3HD2 LEU 56 -11.768 6.676 1.324 355 HD22 LEU 56 1HD2 LEU 56 -12.485 6.179 -0.209 356 HD23 LEU 56 2HD2 LEU 56 -13.092 7.609 0.625 357 H SER 57 H SER 57 -7.866 6.609 -3.084 358 HA SER 57 HA SER 57 -6.174 4.719 -1.888 359 HB2 SER 57 1HB SER 57 -7.113 4.522 -4.180 360 HB3 SER 57 2HB SER 57 -6.067 5.840 -4.702 361 HG SER 57 HG SER 57 -5.067 3.945 -5.218 362 H ALA 58 H ALA 58 -5.264 7.597 -3.794 363 HA ALA 58 HA ALA 58 -2.614 7.810 -3.210 364 HB1 ALA 58 3HB ALA 58 -2.808 10.213 -3.568 365 HB2 ALA 58 1HB ALA 58 -4.552 10.118 -3.335 366 HB3 ALA 58 2HB ALA 58 -3.805 9.325 -4.720 367 H LYS 59 H LYS 59 -5.275 8.586 -1.093 368 HA LYS 59 HA LYS 59 -3.791 9.963 0.903 369 HB2 LYS 59 1HB LYS 59 -6.182 10.253 0.755 370 HB3 LYS 59 2HB LYS 59 -6.450 8.534 0.989 371 HG2 LYS 59 1HG LYS 59 -5.578 8.725 3.275 372 HG3 LYS 59 2HG LYS 59 -5.360 10.460 3.030 373 HD2 LYS 59 1HD LYS 59 -7.737 10.754 2.701 374 HD3 LYS 59 2HD LYS 59 -7.997 9.011 2.784 375 HE2 LYS 59 1HE LYS 59 -7.218 9.007 5.100 376 HE3 LYS 59 2HE LYS 59 -6.949 10.747 5.017 377 HZ1 LYS 59 3HZ LYS 59 -9.577 9.393 4.705 378 HZ2 LYS 59 1HZ LYS 59 -9.314 11.063 4.658 379 HZ3 LYS 59 2HZ LYS 59 -9.050 10.205 6.086 380 H VAL 60 H VAL 60 -5.062 6.644 0.782 381 HA VAL 60 HA VAL 60 -3.884 5.759 3.176 382 HB VAL 60 HB VAL 60 -4.413 3.531 2.635 383 HG11 VAL 60 1HG1 VAL 60 -6.713 3.638 1.843 384 HG12 VAL 60 2HG1 VAL 60 -6.437 5.287 1.283 385 HG13 VAL 60 3HG1 VAL 60 -6.345 4.915 3.004 386 HG21 VAL 60 3HG2 VAL 60 -4.502 4.338 -0.272 387 HG22 VAL 60 1HG2 VAL 60 -4.997 2.763 0.357 388 HG23 VAL 60 2HG2 VAL 60 -3.321 3.282 0.509 389 H VAL 61 H VAL 61 -2.365 6.378 0.245 390 HA VAL 61 HA VAL 61 -0.094 4.648 0.982 391 HB VAL 61 HB VAL 61 -0.891 4.262 -1.319 392 HG11 VAL 61 1HG1 VAL 61 -1.674 6.478 -1.881 393 HG12 VAL 61 2HG1 VAL 61 -0.518 5.898 -3.081 394 HG13 VAL 61 3HG1 VAL 61 -0.017 7.086 -1.873 395 HG21 VAL 61 3HG2 VAL 61 1.292 4.389 -2.454 396 HG22 VAL 61 1HG2 VAL 61 1.429 3.779 -0.805 397 HG23 VAL 61 2HG2 VAL 61 1.882 5.443 -1.171 398 H GLU 62 H GLU 62 -0.969 7.897 0.280 399 HA GLU 62 HA GLU 62 1.424 9.275 0.280 400 HB2 GLU 62 1HB GLU 62 -0.805 10.316 -0.024 401 HB3 GLU 62 2HB GLU 62 -1.071 10.198 1.708 402 HG2 GLU 62 1HG GLU 62 0.775 11.706 2.124 403 HG3 GLU 62 2HG GLU 62 1.124 11.781 0.396 404 H LYS 63 H LYS 63 -0.456 8.486 3.208 405 HA LYS 63 HA LYS 63 1.712 9.302 4.933 406 HB2 LYS 63 1HB LYS 63 -0.904 7.949 5.595 407 HB3 LYS 63 2HB LYS 63 0.237 8.583 6.772 408 HG2 LYS 63 1HG LYS 63 -0.102 10.841 5.708 409 HG3 LYS 63 2HG LYS 63 -1.437 10.119 4.807 410 HD2 LYS 63 1HD LYS 63 -1.183 10.269 7.814 411 HD3 LYS 63 2HD LYS 63 -2.268 11.229 6.809 412 HE2 LYS 63 1HE LYS 63 -3.472 9.237 6.144 413 HE3 LYS 63 2HE LYS 63 -2.335 8.221 7.029 414 HZ1 LYS 63 3HZ LYS 63 -4.362 8.563 8.277 415 HZ2 LYS 63 1HZ LYS 63 -4.144 10.237 8.236 416 HZ3 LYS 63 2HZ LYS 63 -3.055 9.260 9.080 417 H LEU 64 H LEU 64 0.764 6.489 3.313 418 HA LEU 64 HA LEU 64 1.490 4.516 5.158 419 HB2 LEU 64 1HB LEU 64 0.030 4.144 3.220 420 HB3 LEU 64 2HB LEU 64 1.425 4.333 2.158 421 HG LEU 64 HG LEU 64 2.428 2.339 3.229 422 HD11 LEU 64 1HD1 LEU 64 1.420 2.415 5.378 423 HD12 LEU 64 2HD1 LEU 64 0.869 0.933 4.591 424 HD13 LEU 64 3HD1 LEU 64 -0.197 2.331 4.686 425 HD21 LEU 64 3HD2 LEU 64 1.144 2.132 1.157 426 HD22 LEU 64 1HD2 LEU 64 -0.340 1.937 2.091 427 HD23 LEU 64 2HD2 LEU 64 0.928 0.714 2.184 428 H ASN 65 H ASN 65 3.614 6.706 3.668 429 HA ASN 65 HA ASN 65 5.544 4.664 2.882 430 HB2 ASN 65 1HB ASN 65 6.744 6.405 1.734 431 HB3 ASN 65 2HB ASN 65 5.051 6.585 1.294 432 HD21 ASN 65 2HD2 ASN 65 7.274 8.522 1.302 433 HD22 ASN 65 1HD2 ASN 65 6.727 9.840 2.276 434 H GLN 66 H GLN 66 4.523 6.366 5.426 435 HA GLN 66 HA GLN 66 7.122 7.124 6.510 436 HB2 GLN 66 1HB GLN 66 5.973 8.387 8.127 437 HB3 GLN 66 2HB GLN 66 5.002 8.573 6.672 438 HG2 GLN 66 1HG GLN 66 3.550 6.723 7.548 439 HG3 GLN 66 2HG GLN 66 4.421 6.878 9.073 440 HE21 GLN 66 2HE2 GLN 66 1.615 7.383 8.379 441 HE22 GLN 66 1HE2 GLN 66 1.314 9.017 8.854 442 H VAL 67 H VAL 67 4.698 4.722 6.675 443 HA VAL 67 HA VAL 67 5.215 3.552 9.150 444 HB VAL 67 HB VAL 67 4.378 2.106 6.624 445 HG11 VAL 67 1HG1 VAL 67 5.084 0.661 8.494 446 HG12 VAL 67 2HG1 VAL 67 3.372 0.489 8.103 447 HG13 VAL 67 3HG1 VAL 67 3.864 1.426 9.513 448 HG21 VAL 67 3HG2 VAL 67 2.706 3.518 8.701 449 HG22 VAL 67 1HG2 VAL 67 2.073 2.502 7.407 450 HG23 VAL 67 2HG2 VAL 67 2.917 4.000 7.019 451 H CYS 68 H CYS 68 6.578 2.682 5.955 452 HA CYS 68 HA CYS 68 8.460 0.857 7.124 453 HB2 CYS 68 1HB CYS 68 8.563 2.046 4.354 454 HB3 CYS 68 2HB CYS 68 9.325 0.559 4.904 455 H ALA 69 H ALA 69 8.321 4.199 6.766 456 HA ALA 69 HA ALA 69 11.148 4.693 6.621 457 HB1 ALA 69 3HB ALA 69 8.941 6.548 7.519 458 HB2 ALA 69 1HB ALA 69 9.510 6.369 5.859 459 HB3 ALA 69 2HB ALA 69 10.589 7.014 7.096 460 H LYS 70 H LYS 70 8.770 4.233 9.124 461 HA LYS 70 HA LYS 70 10.620 4.930 11.251 462 HB2 LYS 70 1HB LYS 70 7.829 3.784 11.373 463 HB3 LYS 70 2HB LYS 70 8.758 4.363 12.749 464 HG2 LYS 70 1HG LYS 70 8.735 6.607 11.855 465 HG3 LYS 70 2HG LYS 70 7.883 6.047 10.416 466 HD2 LYS 70 1HD LYS 70 6.040 5.273 11.909 467 HD3 LYS 70 2HD LYS 70 6.880 6.053 13.253 468 HE2 LYS 70 1HE LYS 70 5.958 7.421 10.742 469 HE3 LYS 70 2HE LYS 70 5.100 7.459 12.282 470 HZ1 LYS 70 3HZ LYS 70 7.042 8.547 13.266 471 HZ2 LYS 70 1HZ LYS 70 6.420 9.446 11.980 472 HZ3 LYS 70 2HZ LYS 70 7.827 8.535 11.775 473 H ASP 71 H ASP 71 9.602 2.120 9.505 474 HA ASP 71 HA ASP 71 11.454 0.502 10.984 475 HB2 ASP 71 1HB ASP 71 9.316 0.243 12.260 476 HB3 ASP 71 2HB ASP 71 8.551 -0.346 10.787 477 HA PRO 72 HA PRO 72 11.723 -0.379 6.584 478 HB2 PRO 72 1HB PRO 72 14.065 -1.735 6.693 479 HB3 PRO 72 2HB PRO 72 13.974 0.028 6.787 480 HG2 PRO 72 1HG PRO 72 14.269 -1.975 8.989 481 HG3 PRO 72 2HG PRO 72 15.106 -0.430 8.764 482 HD2 PRO 72 1HD PRO 72 13.014 -0.736 10.461 483 HD3 PRO 72 2HD PRO 72 13.345 0.790 9.613 484 H GLN 73 H GLN 73 11.462 -2.621 9.146 485 HA GLN 73 HA GLN 73 11.447 -4.951 7.426 486 HB2 GLN 73 1HB GLN 73 10.811 -4.692 10.363 487 HB3 GLN 73 2HB GLN 73 10.922 -6.215 9.486 488 HG2 GLN 73 1HG GLN 73 13.136 -4.227 9.911 489 HG3 GLN 73 2HG GLN 73 12.968 -5.802 10.687 490 HE21 GLN 73 2HE2 GLN 73 15.031 -4.621 8.905 491 HE22 GLN 73 1HE2 GLN 73 15.231 -5.768 7.628 492 H MET 74 H MET 74 9.345 -2.616 7.676 493 HA MET 74 HA MET 74 6.948 -4.262 7.804 494 HB2 MET 74 1HB MET 74 6.826 -2.078 8.860 495 HB3 MET 74 2HB MET 74 7.264 -1.293 7.348 496 HG2 MET 74 1HG MET 74 4.860 -1.147 7.834 497 HG3 MET 74 2HG MET 74 5.201 -1.988 6.325 498 HE1 MET 74 3HE MET 74 4.118 -2.346 10.073 499 HE2 MET 74 1HE MET 74 5.539 -3.388 10.014 500 HE3 MET 74 2HE MET 74 3.938 -4.092 10.243 501 H LEU 75 H LEU 75 6.095 -5.188 6.120 502 HA LEU 75 HA LEU 75 7.080 -4.601 3.445 503 HB2 LEU 75 1HB LEU 75 5.099 -6.680 4.358 504 HB3 LEU 75 2HB LEU 75 5.905 -6.612 2.802 505 HG LEU 75 HG LEU 75 7.268 -7.094 5.449 506 HD11 LEU 75 1HD1 LEU 75 7.611 -9.374 4.516 507 HD12 LEU 75 2HD1 LEU 75 6.475 -8.955 3.227 508 HD13 LEU 75 3HD1 LEU 75 5.939 -8.982 4.904 509 HD21 LEU 75 3HD2 LEU 75 8.331 -7.167 2.626 510 HD22 LEU 75 1HD2 LEU 75 9.222 -7.642 4.073 511 HD23 LEU 75 2HD2 LEU 75 8.722 -5.965 3.858 512 H LEU 76 H LEU 76 5.670 -4.233 1.672 513 HA LEU 76 HA LEU 76 3.742 -2.233 2.180 514 HB2 LEU 76 1HB LEU 76 5.111 -2.555 0.071 515 HB3 LEU 76 2HB LEU 76 4.008 -3.847 -0.363 516 HG LEU 76 HG LEU 76 2.949 -1.077 0.152 517 HD11 LEU 76 1HD1 LEU 76 4.789 -0.826 -1.440 518 HD12 LEU 76 2HD1 LEU 76 3.225 -0.562 -2.210 519 HD13 LEU 76 3HD1 LEU 76 4.081 -2.083 -2.454 520 HD21 LEU 76 3HD2 LEU 76 1.228 -1.786 -1.429 521 HD22 LEU 76 1HD2 LEU 76 1.358 -2.934 -0.097 522 HD23 LEU 76 2HD2 LEU 76 2.061 -3.321 -1.667 523 H ILE 77 H ILE 77 3.518 -5.677 1.767 524 HA ILE 77 HA ILE 77 0.799 -6.017 1.240 525 HB ILE 77 HB ILE 77 2.528 -7.800 2.972 526 HG12 ILE 77 1HG1 ILE 77 3.611 -7.392 0.815 527 HG13 ILE 77 2HG1 ILE 77 3.020 -9.046 0.911 528 HG21 ILE 77 1HG2 ILE 77 1.019 -9.596 2.249 529 HG22 ILE 77 2HG2 ILE 77 0.043 -8.413 1.376 530 HG23 ILE 77 3HG2 ILE 77 0.161 -8.333 3.133 531 HD11 ILE 77 3HD1 ILE 77 2.596 -8.133 -1.272 532 HD12 ILE 77 1HD1 ILE 77 1.730 -6.768 -0.566 533 HD13 ILE 77 2HD1 ILE 77 1.063 -8.391 -0.428 534 H THR 78 H THR 78 2.497 -5.788 4.333 535 HA THR 78 HA THR 78 0.050 -5.969 5.843 536 HB THR 78 HB THR 78 2.773 -5.184 6.892 537 HG1 THR 78 HG1 THR 78 1.726 -7.716 6.145 538 HG21 THR 78 3HG2 THR 78 1.957 -6.234 8.951 539 HG22 THR 78 1HG2 THR 78 0.440 -6.646 8.153 540 HG23 THR 78 2HG2 THR 78 0.857 -4.955 8.433 541 H ALA 79 H ALA 79 2.350 -3.533 4.821 542 HA ALA 79 HA ALA 79 1.683 -1.345 6.280 543 HB1 ALA 79 3HB ALA 79 2.554 0.003 4.520 544 HB2 ALA 79 1HB ALA 79 2.182 -1.233 3.316 545 HB3 ALA 79 2HB ALA 79 3.441 -1.518 4.515 546 H ILE 80 H ILE 80 0.105 -2.014 3.091 547 HA ILE 80 HA ILE 80 -1.840 -0.018 3.634 548 HB ILE 80 HB ILE 80 -1.225 -0.520 1.314 549 HG12 ILE 80 1HG1 ILE 80 -4.144 -1.146 1.792 550 HG13 ILE 80 2HG1 ILE 80 -3.450 0.465 1.928 551 HG21 ILE 80 1HG2 ILE 80 -0.909 -2.929 1.467 552 HG22 ILE 80 2HG2 ILE 80 -2.051 -2.525 0.183 553 HG23 ILE 80 3HG2 ILE 80 -2.642 -3.153 1.722 554 HD11 ILE 80 3HD1 ILE 80 -4.570 0.109 -0.206 555 HD12 ILE 80 1HD1 ILE 80 -3.468 -1.221 -0.561 556 HD13 ILE 80 2HD1 ILE 80 -2.848 0.424 -0.410 557 H ASP 81 H ASP 81 -1.697 -3.447 4.228 558 HA ASP 81 HA ASP 81 -4.412 -3.980 4.728 559 HB2 ASP 81 1HB ASP 81 -2.728 -5.766 4.661 560 HB3 ASP 81 2HB ASP 81 -1.951 -5.109 6.097 561 H ASP 82 H ASP 82 -1.861 -2.735 6.772 562 HA ASP 82 HA ASP 82 -3.329 -2.438 9.143 563 HB2 ASP 82 1HB ASP 82 -0.903 -2.381 9.135 564 HB3 ASP 82 2HB ASP 82 -0.907 -0.943 8.121 565 H THR 83 H THR 83 -2.965 -0.347 6.317 566 HA THR 83 HA THR 83 -4.149 1.922 7.562 567 HB THR 83 HB THR 83 -3.820 1.413 4.601 568 HG1 THR 83 HG1 THR 83 -1.794 1.146 5.592 569 HG21 THR 83 3HG2 THR 83 -3.646 3.878 4.522 570 HG22 THR 83 1HG2 THR 83 -3.945 3.943 6.258 571 HG23 THR 83 2HG2 THR 83 -5.200 3.352 5.169 572 H MET 84 H MET 84 -5.312 -0.658 5.382 573 HA MET 84 HA MET 84 -7.902 0.467 4.998 574 HB2 MET 84 1HB MET 84 -8.589 -1.899 4.317 575 HB3 MET 84 2HB MET 84 -7.277 -1.190 3.395 576 HG2 MET 84 1HG MET 84 -5.800 -2.709 4.089 577 HG3 MET 84 2HG MET 84 -6.463 -2.775 5.720 578 HE1 MET 84 3HE MET 84 -9.406 -5.231 5.415 579 HE2 MET 84 1HE MET 84 -9.452 -3.469 5.372 580 HE3 MET 84 2HE MET 84 -8.365 -4.294 6.487 581 H ARG 85 H ARG 85 -6.479 -1.339 7.550 582 HA ARG 85 HA ARG 85 -8.961 -2.086 8.804 583 HB2 ARG 85 1HB ARG 85 -6.127 -2.022 9.857 584 HB3 ARG 85 2HB ARG 85 -7.502 -2.612 10.777 585 HG2 ARG 85 1HG ARG 85 -7.864 -4.368 9.117 586 HG3 ARG 85 2HG ARG 85 -6.487 -3.767 8.188 587 HD2 ARG 85 1HD ARG 85 -5.837 -5.681 9.545 588 HD3 ARG 85 2HD ARG 85 -5.012 -4.222 10.092 589 HE ARG 85 HE ARG 85 -7.357 -4.515 11.589 590 HH11 ARG 85 1HH1 ARG 85 -4.264 -6.139 11.185 591 HH12 ARG 85 2HH1 ARG 85 -4.238 -6.767 12.793 592 HH21 ARG 85 1HH2 ARG 85 -7.328 -5.344 13.711 593 HH22 ARG 85 2HH2 ARG 85 -6.003 -6.326 14.242 594 H ALA 86 H ALA 86 -6.551 0.457 9.207 595 HA ALA 86 HA ALA 86 -7.656 1.650 11.501 596 HB1 ALA 86 3HB ALA 86 -5.969 2.921 9.350 597 HB2 ALA 86 1HB ALA 86 -5.361 2.052 10.759 598 HB3 ALA 86 2HB ALA 86 -6.245 3.563 10.970 599 H ILE 87 H ILE 87 -7.959 2.558 8.069 600 HA ILE 87 HA ILE 87 -9.779 4.666 8.628 601 HB ILE 87 HB ILE 87 -10.240 4.740 6.204 602 HG12 ILE 87 1HG1 ILE 87 -8.374 2.362 6.017 603 HG13 ILE 87 2HG1 ILE 87 -10.118 2.288 5.788 604 HG21 ILE 87 1HG2 ILE 87 -7.325 4.497 6.935 605 HG22 ILE 87 2HG2 ILE 87 -8.331 5.941 7.065 606 HG23 ILE 87 3HG2 ILE 87 -7.945 5.276 5.479 607 HD11 ILE 87 3HD1 ILE 87 -8.173 3.830 4.084 608 HD12 ILE 87 1HD1 ILE 87 -9.920 3.759 3.849 609 HD13 ILE 87 2HD1 ILE 87 -8.944 2.301 3.664 610 H GLY 88 H GLY 88 -10.227 1.295 7.708 611 HA2 GLY 88 1HA GLY 88 -13.052 1.518 7.368 612 HA3 GLY 88 2HA GLY 88 -12.123 0.036 7.424 613 H LYS 89 H LYS 89 -11.713 2.077 10.200 614 HA LYS 89 HA LYS 89 -12.835 0.131 11.894 615 HB2 LYS 89 1HB LYS 89 -11.979 2.979 12.330 616 HB3 LYS 89 2HB LYS 89 -12.680 2.004 13.611 617 HG2 LYS 89 1HG LYS 89 -10.853 0.411 13.420 618 HG3 LYS 89 2HG LYS 89 -10.162 1.354 12.094 619 HD2 LYS 89 1HD LYS 89 -9.039 1.838 14.225 620 HD3 LYS 89 2HD LYS 89 -9.865 3.261 13.588 621 HE2 LYS 89 1HE LYS 89 -11.778 2.759 15.096 622 HE3 LYS 89 2HE LYS 89 -10.842 1.435 15.785 623 HZ1 LYS 89 3HZ LYS 89 -9.188 3.043 16.490 624 HZ2 LYS 89 1HZ LYS 89 -10.706 3.421 17.130 625 HZ3 LYS 89 2HZ LYS 89 -10.097 4.299 15.825 626 H LYS 90 H LYS 90 -14.754 0.043 12.931 627 HA LYS 90 HA LYS 90 -16.983 1.364 11.776 628 HB2 LYS 90 1HB LYS 90 -18.274 0.258 13.642 629 HB3 LYS 90 2HB LYS 90 -17.346 -0.834 12.628 630 HG2 LYS 90 1HG LYS 90 -15.613 -0.971 14.343 631 HG3 LYS 90 2HG LYS 90 -16.521 0.155 15.353 632 HD2 LYS 90 1HD LYS 90 -18.376 -1.435 15.451 633 HD3 LYS 90 2HD LYS 90 -17.467 -2.556 14.435 634 HE2 LYS 90 1HE LYS 90 -15.705 -2.636 16.164 635 HE3 LYS 90 2HE LYS 90 -16.694 -1.594 17.185 636 HZ1 LYS 90 3HZ LYS 90 -16.992 -3.875 17.811 637 HZ2 LYS 90 1HZ LYS 90 -17.415 -4.314 16.235 638 HZ3 LYS 90 2HZ LYS 90 -18.425 -3.302 17.138 Start of MODEL 11 1 H ASN 7 H ASN 7 9.483 -20.403 -2.993 2 HA ASN 7 HA ASN 7 7.122 -19.793 -1.376 3 HB2 ASN 7 1HB ASN 7 7.802 -21.750 -0.022 4 HB3 ASN 7 2HB ASN 7 7.610 -22.167 -1.722 5 HD21 ASN 7 2HD2 ASN 7 9.826 -21.812 0.907 6 HD22 ASN 7 1HD2 ASN 7 11.189 -22.507 0.112 7 H GLY 8 H GLY 8 10.494 -19.199 -1.566 8 HA2 GLY 8 1HA GLY 8 10.862 -18.603 1.213 9 HA3 GLY 8 2HA GLY 8 12.008 -18.305 -0.084 10 H LEU 9 H LEU 9 11.101 -16.518 -1.678 11 HA LEU 9 HA LEU 9 9.992 -14.353 -0.057 12 HB2 LEU 9 1HB LEU 9 12.431 -14.086 -1.823 13 HB3 LEU 9 2HB LEU 9 11.620 -12.766 -1.013 14 HG LEU 9 HG LEU 9 12.199 -14.088 1.167 15 HD11 LEU 9 1HD1 LEU 9 14.283 -15.356 1.021 16 HD12 LEU 9 2HD1 LEU 9 14.256 -15.203 -0.735 17 HD13 LEU 9 3HD1 LEU 9 12.994 -16.119 0.090 18 HD21 LEU 9 3HD2 LEU 9 14.291 -12.634 -0.440 19 HD22 LEU 9 1HD2 LEU 9 14.350 -12.920 1.297 20 HD23 LEU 9 2HD2 LEU 9 13.086 -11.898 0.616 21 HA PRO 10 HA PRO 10 7.807 -14.555 -4.117 22 HB2 PRO 10 1HB PRO 10 5.359 -13.967 -3.070 23 HB3 PRO 10 2HB PRO 10 5.990 -15.615 -3.167 24 HG2 PRO 10 1HG PRO 10 5.929 -13.744 -0.837 25 HG3 PRO 10 2HG PRO 10 5.597 -15.485 -0.884 26 HD2 PRO 10 1HD PRO 10 7.951 -14.468 -0.021 27 HD3 PRO 10 2HD PRO 10 7.830 -16.041 -0.837 28 H SER 11 H SER 11 6.679 -12.817 -5.213 29 HA SER 11 HA SER 11 7.911 -10.373 -5.049 30 HB2 SER 11 1HB SER 11 5.913 -9.534 -6.403 31 HB3 SER 11 2HB SER 11 6.797 -10.914 -7.056 32 HG SER 11 HG SER 11 5.136 -12.181 -6.696 33 H GLU 12 H GLU 12 4.777 -11.234 -3.644 34 HA GLU 12 HA GLU 12 4.013 -8.730 -2.667 35 HB2 GLU 12 1HB GLU 12 3.457 -11.462 -1.516 36 HB3 GLU 12 2HB GLU 12 2.588 -9.995 -1.099 37 HG2 GLU 12 1HG GLU 12 1.657 -9.832 -3.276 38 HG3 GLU 12 2HG GLU 12 2.719 -11.098 -3.890 39 H THR 13 H THR 13 6.097 -11.161 -1.283 40 HA THR 13 HA THR 13 6.323 -9.752 1.253 41 HB THR 13 HB THR 13 7.737 -12.266 0.341 42 HG1 THR 13 HG1 THR 13 5.219 -11.829 1.583 43 HG21 THR 13 3HG2 THR 13 7.157 -11.190 3.109 44 HG22 THR 13 1HG2 THR 13 8.732 -11.177 2.313 45 HG23 THR 13 2HG2 THR 13 7.969 -12.711 2.737 46 H TYR 14 H TYR 14 7.954 -9.995 -1.737 47 HA TYR 14 HA TYR 14 10.570 -9.331 -0.795 48 HB2 TYR 14 1HB TYR 14 10.406 -10.670 -2.762 49 HB3 TYR 14 2HB TYR 14 9.330 -9.515 -3.537 50 HD1 TYR 14 HD1 TYR 14 12.812 -10.111 -2.468 51 HD2 TYR 14 HD2 TYR 14 10.182 -7.664 -4.739 52 HE1 TYR 14 HE1 TYR 14 14.743 -9.036 -3.535 53 HE2 TYR 14 HE2 TYR 14 12.089 -6.581 -5.809 54 HH TYR 14 HH TYR 14 14.508 -6.183 -5.309 55 H ILE 15 H ILE 15 7.763 -7.533 -1.782 56 HA ILE 15 HA ILE 15 9.363 -5.183 -2.323 57 HB ILE 15 HB ILE 15 7.583 -5.605 -3.910 58 HG12 ILE 15 1HG1 ILE 15 6.377 -3.449 -3.805 59 HG13 ILE 15 2HG1 ILE 15 6.939 -3.233 -2.150 60 HG21 ILE 15 1HG2 ILE 15 5.205 -5.495 -3.266 61 HG22 ILE 15 2HG2 ILE 15 5.695 -5.478 -1.571 62 HG23 ILE 15 3HG2 ILE 15 6.050 -6.882 -2.576 63 HD11 ILE 15 3HD1 ILE 15 8.252 -1.935 -3.729 64 HD12 ILE 15 1HD1 ILE 15 8.686 -3.410 -4.593 65 HD13 ILE 15 2HD1 ILE 15 9.237 -3.162 -2.934 66 H THR 16 H THR 16 9.788 -3.745 -0.848 67 HA THR 16 HA THR 16 8.401 -3.909 1.701 68 HB THR 16 HB THR 16 10.750 -2.115 1.131 69 HG1 THR 16 HG1 THR 16 11.478 -4.094 0.422 70 HG21 THR 16 3HG2 THR 16 9.605 -1.930 3.290 71 HG22 THR 16 1HG2 THR 16 11.238 -2.575 3.485 72 HG23 THR 16 2HG2 THR 16 9.844 -3.658 3.553 73 H CYS 17 H CYS 17 7.652 -1.936 2.752 74 HA CYS 17 HA CYS 17 5.985 -0.416 1.114 75 HB2 CYS 17 1HB CYS 17 5.490 -0.749 3.442 76 HB3 CYS 17 2HB CYS 17 6.958 0.090 3.920 77 H ALA 18 H ALA 18 8.992 0.642 2.771 78 HA ALA 18 HA ALA 18 9.167 3.178 1.683 79 HB1 ALA 18 3HB ALA 18 11.459 1.329 2.341 80 HB2 ALA 18 1HB ALA 18 10.608 2.361 3.491 81 HB3 ALA 18 2HB ALA 18 11.548 3.085 2.187 82 H GLU 19 H GLU 19 10.058 0.086 0.224 83 HA GLU 19 HA GLU 19 11.502 1.137 -1.964 84 HB2 GLU 19 1HB GLU 19 10.048 -1.476 -1.631 85 HB3 GLU 19 2HB GLU 19 11.013 -1.077 -3.042 86 HG2 GLU 19 1HG GLU 19 12.961 -0.769 -1.527 87 HG3 GLU 19 2HG GLU 19 11.963 -1.384 -0.210 88 H ALA 20 H ALA 20 8.094 0.612 -1.394 89 HA ALA 20 HA ALA 20 7.202 0.822 -4.030 90 HB1 ALA 20 3HB ALA 20 5.787 1.664 -1.500 91 HB2 ALA 20 1HB ALA 20 5.763 0.052 -2.220 92 HB3 ALA 20 2HB ALA 20 5.023 1.409 -3.071 93 H ASN 21 H ASN 21 7.966 3.237 -1.587 94 HA ASN 21 HA ASN 21 7.115 5.512 -3.086 95 HB2 ASN 21 1HB ASN 21 7.419 5.586 -0.630 96 HB3 ASN 21 2HB ASN 21 9.144 5.312 -0.839 97 HD21 ASN 21 2HD2 ASN 21 9.740 7.206 0.136 98 HD22 ASN 21 1HD2 ASN 21 9.483 8.761 -0.572 99 H GLU 22 H GLU 22 10.192 3.911 -2.527 100 HA GLU 22 HA GLU 22 11.910 5.434 -4.064 101 HB2 GLU 22 1HB GLU 22 12.719 3.598 -2.717 102 HB3 GLU 22 2HB GLU 22 11.812 2.437 -3.674 103 HG2 GLU 22 1HG GLU 22 13.227 2.922 -5.599 104 HG3 GLU 22 2HG GLU 22 14.142 4.079 -4.629 105 H MET 23 H MET 23 9.956 2.657 -5.126 106 HA MET 23 HA MET 23 10.561 2.839 -7.857 107 HB2 MET 23 1HB MET 23 8.150 1.705 -6.439 108 HB3 MET 23 2HB MET 23 8.451 1.513 -8.159 109 HG2 MET 23 1HG MET 23 10.433 0.247 -7.741 110 HG3 MET 23 2HG MET 23 10.344 0.590 -6.014 111 HE1 MET 23 3HE MET 23 8.527 -1.166 -9.029 112 HE2 MET 23 1HE MET 23 7.229 -0.244 -8.267 113 HE3 MET 23 2HE MET 23 7.214 -2.007 -8.200 114 H ALA 24 H ALA 24 7.870 4.162 -5.994 115 HA ALA 24 HA ALA 24 6.310 5.296 -7.937 116 HB1 ALA 24 3HB ALA 24 5.802 5.275 -5.509 117 HB2 ALA 24 1HB ALA 24 5.481 6.829 -6.282 118 HB3 ALA 24 2HB ALA 24 6.929 6.614 -5.301 119 H LYS 25 H LYS 25 9.336 6.561 -6.682 120 HA LYS 25 HA LYS 25 9.177 9.143 -7.792 121 HB2 LYS 25 1HB LYS 25 11.634 7.499 -7.177 122 HB3 LYS 25 2HB LYS 25 11.619 9.230 -7.480 123 HG2 LYS 25 1HG LYS 25 10.218 9.562 -5.504 124 HG3 LYS 25 2HG LYS 25 10.245 7.826 -5.200 125 HD2 LYS 25 1HD LYS 25 12.692 7.924 -4.964 126 HD3 LYS 25 2HD LYS 25 12.635 9.670 -5.226 127 HE2 LYS 25 1HE LYS 25 11.173 9.877 -3.241 128 HE3 LYS 25 2HE LYS 25 11.350 8.145 -2.963 129 HZ1 LYS 25 3HZ LYS 25 12.863 9.432 -1.590 130 HZ2 LYS 25 1HZ LYS 25 13.561 10.128 -2.963 131 HZ3 LYS 25 2HZ LYS 25 13.727 8.472 -2.682 132 H THR 26 H THR 26 9.683 6.136 -9.317 133 HA THR 26 HA THR 26 10.500 7.529 -11.778 134 HB THR 26 HB THR 26 11.462 5.227 -12.443 135 HG1 THR 26 HG1 THR 26 11.459 4.927 -9.606 136 HG21 THR 26 3HG2 THR 26 13.597 5.694 -11.308 137 HG22 THR 26 1HG2 THR 26 12.773 6.819 -10.231 138 HG23 THR 26 2HG2 THR 26 12.874 7.164 -11.957 139 H ASP 27 H ASP 27 8.515 5.036 -10.326 140 HA ASP 27 HA ASP 27 6.884 4.960 -12.763 141 HB2 ASP 27 1HB ASP 27 7.858 2.669 -11.083 142 HB3 ASP 27 2HB ASP 27 6.430 2.531 -12.097 143 H SER 28 H SER 28 5.891 6.662 -11.312 144 HA SER 28 HA SER 28 4.467 6.098 -8.981 145 HB2 SER 28 1HB SER 28 3.601 8.028 -11.139 146 HB3 SER 28 2HB SER 28 3.214 8.101 -9.422 147 HG SER 28 HG SER 28 5.766 8.079 -9.388 148 H ALA 29 H ALA 29 3.568 5.579 -12.363 149 HA ALA 29 HA ALA 29 0.826 5.243 -12.033 150 HB1 ALA 29 3HB ALA 29 1.912 5.591 -14.190 151 HB2 ALA 29 1HB ALA 29 0.856 4.179 -14.211 152 HB3 ALA 29 2HB ALA 29 2.605 3.972 -14.101 153 H GLN 30 H GLN 30 3.303 2.662 -12.245 154 HA GLN 30 HA GLN 30 1.362 0.624 -11.870 155 HB2 GLN 30 1HB GLN 30 3.272 -0.920 -11.671 156 HB3 GLN 30 2HB GLN 30 3.354 0.106 -13.094 157 HG2 GLN 30 1HG GLN 30 4.971 1.507 -12.046 158 HG3 GLN 30 2HG GLN 30 4.844 0.605 -10.538 159 HE21 GLN 30 2HE2 GLN 30 6.043 0.589 -13.793 160 HE22 GLN 30 1HE2 GLN 30 7.082 -0.781 -13.613 161 H VAL 31 H VAL 31 3.326 2.438 -9.595 162 HA VAL 31 HA VAL 31 3.026 0.540 -7.492 163 HB VAL 31 HB VAL 31 3.789 2.260 -5.943 164 HG11 VAL 31 1HG1 VAL 31 5.978 2.724 -6.944 165 HG12 VAL 31 2HG1 VAL 31 5.349 2.237 -8.517 166 HG13 VAL 31 3HG1 VAL 31 5.460 1.059 -7.210 167 HG21 VAL 31 3HG2 VAL 31 2.609 4.187 -6.855 168 HG22 VAL 31 1HG2 VAL 31 3.639 4.154 -8.285 169 HG23 VAL 31 2HG2 VAL 31 4.333 4.522 -6.705 170 H ALA 32 H ALA 32 1.113 3.218 -8.642 171 HA ALA 32 HA ALA 32 -0.670 3.246 -6.405 172 HB1 ALA 32 3HB ALA 32 -2.064 4.699 -7.803 173 HB2 ALA 32 1HB ALA 32 -1.046 4.337 -9.198 174 HB3 ALA 32 2HB ALA 32 -0.380 5.222 -7.827 175 H GLU 33 H GLU 33 -0.317 1.436 -9.300 176 HA GLU 33 HA GLU 33 -2.992 0.470 -9.494 177 HB2 GLU 33 1HB GLU 33 -1.470 0.551 -11.431 178 HB3 GLU 33 2HB GLU 33 -0.413 -0.613 -10.650 179 HG2 GLU 33 1HG GLU 33 -1.665 -1.804 -12.251 180 HG3 GLU 33 2HG GLU 33 -2.333 -2.225 -10.677 181 H ILE 34 H ILE 34 0.079 -1.111 -8.633 182 HA ILE 34 HA ILE 34 -1.019 -3.487 -7.688 183 HB ILE 34 HB ILE 34 1.346 -3.361 -8.166 184 HG12 ILE 34 1HG1 ILE 34 0.912 -3.880 -5.230 185 HG13 ILE 34 2HG1 ILE 34 0.589 -5.027 -6.526 186 HG21 ILE 34 1HG2 ILE 34 1.577 -1.495 -5.810 187 HG22 ILE 34 2HG2 ILE 34 1.782 -1.069 -7.509 188 HG23 ILE 34 3HG2 ILE 34 2.927 -2.162 -6.731 189 HD11 ILE 34 3HD1 ILE 34 2.691 -5.527 -5.412 190 HD12 ILE 34 1HD1 ILE 34 3.283 -3.907 -5.777 191 HD13 ILE 34 2HD1 ILE 34 2.973 -5.047 -7.086 192 H VAL 35 H VAL 35 -0.229 -0.575 -5.870 193 HA VAL 35 HA VAL 35 -0.912 -1.461 -3.313 194 HB VAL 35 HB VAL 35 -1.043 1.301 -4.532 195 HG11 VAL 35 1HG1 VAL 35 -1.411 2.224 -2.304 196 HG12 VAL 35 2HG1 VAL 35 -1.584 0.596 -1.645 197 HG13 VAL 35 3HG1 VAL 35 -2.770 1.215 -2.795 198 HG21 VAL 35 3HG2 VAL 35 0.744 0.049 -2.453 199 HG22 VAL 35 1HG2 VAL 35 0.870 1.698 -3.060 200 HG23 VAL 35 2HG2 VAL 35 1.161 0.337 -4.141 201 H ALA 36 H ALA 36 -2.991 -0.233 -5.876 202 HA ALA 36 HA ALA 36 -5.344 -0.306 -4.246 203 HB1 ALA 36 3HB ALA 36 -5.057 -0.021 -7.234 204 HB2 ALA 36 1HB ALA 36 -5.153 1.298 -6.068 205 HB3 ALA 36 2HB ALA 36 -6.538 0.232 -6.312 206 H VAL 37 H VAL 37 -3.742 -2.487 -6.497 207 HA VAL 37 HA VAL 37 -5.785 -4.247 -7.101 208 HB VAL 37 HB VAL 37 -2.872 -4.929 -6.595 209 HG11 VAL 37 1HG1 VAL 37 -5.006 -6.585 -7.947 210 HG12 VAL 37 2HG1 VAL 37 -4.246 -6.940 -6.396 211 HG13 VAL 37 3HG1 VAL 37 -3.289 -6.980 -7.877 212 HG21 VAL 37 3HG2 VAL 37 -3.235 -3.336 -8.411 213 HG22 VAL 37 1HG2 VAL 37 -4.397 -4.438 -9.151 214 HG23 VAL 37 2HG2 VAL 37 -2.699 -4.897 -9.037 215 H MET 38 H MET 38 -3.383 -5.082 -4.490 216 HA MET 38 HA MET 38 -5.207 -6.843 -3.321 217 HB2 MET 38 1HB MET 38 -2.825 -5.568 -1.985 218 HB3 MET 38 2HB MET 38 -3.622 -7.056 -1.519 219 HG2 MET 38 1HG MET 38 -1.781 -7.864 -2.597 220 HG3 MET 38 2HG MET 38 -2.946 -7.829 -3.920 221 HE1 MET 38 3HE MET 38 0.390 -4.713 -3.246 222 HE2 MET 38 1HE MET 38 0.111 -6.122 -2.225 223 HE3 MET 38 2HE MET 38 -1.043 -4.793 -2.222 224 H GLY 39 H GLY 39 -4.444 -3.471 -2.734 225 HA2 GLY 39 1HA GLY 39 -5.548 -3.155 -0.204 226 HA3 GLY 39 2HA GLY 39 -5.475 -1.896 -1.426 227 H ASN 40 H ASN 40 -7.155 -2.436 -3.255 228 HA ASN 40 HA ASN 40 -9.675 -1.895 -2.193 229 HB2 ASN 40 1HB ASN 40 -10.298 -1.533 -4.342 230 HB3 ASN 40 2HB ASN 40 -8.587 -1.802 -4.676 231 HD21 ASN 40 2HD2 ASN 40 -7.938 -3.701 -5.618 232 HD22 ASN 40 1HD2 ASN 40 -9.044 -4.788 -6.385 233 H ALA 41 H ALA 41 -8.342 -4.998 -3.236 234 HA ALA 41 HA ALA 41 -10.760 -6.443 -2.819 235 HB1 ALA 41 3HB ALA 41 -7.922 -7.468 -2.928 236 HB2 ALA 41 1HB ALA 41 -8.992 -7.253 -4.314 237 HB3 ALA 41 2HB ALA 41 -9.386 -8.441 -3.073 238 H SER 42 H SER 42 -7.858 -5.905 -0.922 239 HA SER 42 HA SER 42 -8.437 -7.550 1.254 240 HB2 SER 42 1HB SER 42 -6.224 -6.519 0.845 241 HB3 SER 42 2HB SER 42 -6.894 -4.944 1.260 242 HG SER 42 HG SER 42 -5.793 -6.582 2.894 243 H VAL 43 H VAL 43 -9.003 -4.007 0.943 244 HA VAL 43 HA VAL 43 -10.367 -3.773 3.367 245 HB VAL 43 HB VAL 43 -11.320 -1.661 2.498 246 HG11 VAL 43 1HG1 VAL 43 -8.394 -2.076 1.904 247 HG12 VAL 43 2HG1 VAL 43 -9.100 -1.655 3.465 248 HG13 VAL 43 3HG1 VAL 43 -9.178 -0.512 2.124 249 HG21 VAL 43 3HG2 VAL 43 -10.666 -0.885 0.250 250 HG22 VAL 43 1HG2 VAL 43 -11.731 -2.291 0.198 251 HG23 VAL 43 2HG2 VAL 43 -10.001 -2.484 -0.086 252 H ALA 44 H ALA 44 -11.584 -4.668 0.164 253 HA ALA 44 HA ALA 44 -14.310 -4.586 0.868 254 HB1 ALA 44 3HB ALA 44 -14.654 -5.866 -1.170 255 HB2 ALA 44 1HB ALA 44 -12.931 -6.227 -1.253 256 HB3 ALA 44 2HB ALA 44 -13.491 -4.570 -1.447 257 H SER 45 H SER 45 -11.811 -6.733 1.742 258 HA SER 45 HA SER 45 -13.540 -9.029 2.040 259 HB2 SER 45 1HB SER 45 -10.656 -8.655 2.860 260 HB3 SER 45 2HB SER 45 -11.538 -10.182 2.836 261 HG SER 45 HG SER 45 -11.035 -8.516 0.579 262 H ARG 46 H ARG 46 -12.397 -6.410 4.055 263 HA ARG 46 HA ARG 46 -13.533 -7.852 6.377 264 HB2 ARG 46 1HB ARG 46 -11.270 -5.855 6.363 265 HB3 ARG 46 2HB ARG 46 -12.009 -6.513 7.816 266 HG2 ARG 46 1HG ARG 46 -11.283 -8.741 7.221 267 HG3 ARG 46 2HG ARG 46 -10.626 -8.146 5.696 268 HD2 ARG 46 1HD ARG 46 -9.063 -6.726 6.950 269 HD3 ARG 46 2HD ARG 46 -9.704 -7.369 8.461 270 HE ARG 46 HE ARG 46 -8.938 -9.601 7.537 271 HH11 ARG 46 1HH1 ARG 46 -7.310 -6.583 6.775 272 HH12 ARG 46 2HH1 ARG 46 -5.763 -7.325 6.510 273 HH21 ARG 46 1HH2 ARG 46 -6.892 -10.582 7.221 274 HH22 ARG 46 2HH2 ARG 46 -5.530 -9.609 6.782 275 H ASP 47 H ASP 47 -13.444 -4.890 4.602 276 HA ASP 47 HA ASP 47 -15.318 -3.646 6.435 277 HB2 ASP 47 1HB ASP 47 -13.531 -2.280 5.425 278 HB3 ASP 47 2HB ASP 47 -14.176 -2.631 3.827 279 H LEU 48 H LEU 48 -15.157 -4.658 3.059 280 HA LEU 48 HA LEU 48 -16.673 -5.599 1.669 281 HB2 LEU 48 1HB LEU 48 -17.324 -6.948 3.606 282 HB3 LEU 48 2HB LEU 48 -18.452 -5.707 4.101 283 HG LEU 48 HG LEU 48 -19.749 -6.111 2.026 284 HD11 LEU 48 1HD1 LEU 48 -17.833 -8.411 1.670 285 HD12 LEU 48 2HD1 LEU 48 -17.970 -6.997 0.624 286 HD13 LEU 48 3HD1 LEU 48 -19.306 -8.144 0.736 287 HD21 LEU 48 3HD2 LEU 48 -19.284 -8.508 3.796 288 HD22 LEU 48 1HD2 LEU 48 -20.687 -8.258 2.761 289 HD23 LEU 48 2HD2 LEU 48 -20.388 -7.171 4.116 290 H LYS 49 H LYS 49 -17.437 -2.733 3.383 291 HA LYS 49 HA LYS 49 -19.544 -2.090 1.441 292 HB2 LYS 49 1HB LYS 49 -20.414 -0.506 3.013 293 HB3 LYS 49 2HB LYS 49 -20.155 -2.015 3.869 294 HG2 LYS 49 1HG LYS 49 -17.887 -0.943 4.545 295 HG3 LYS 49 2HG LYS 49 -18.678 0.570 4.095 296 HD2 LYS 49 1HD LYS 49 -19.171 0.408 6.350 297 HD3 LYS 49 2HD LYS 49 -20.607 -0.299 5.604 298 HE2 LYS 49 1HE LYS 49 -20.076 -1.831 7.285 299 HE3 LYS 49 2HE LYS 49 -19.349 -2.538 5.839 300 HZ1 LYS 49 3HZ LYS 49 -17.788 -2.662 7.596 301 HZ2 LYS 49 1HZ LYS 49 -17.957 -1.022 7.963 302 HZ3 LYS 49 2HZ LYS 49 -17.229 -1.485 6.515 303 H ILE 50 H ILE 50 -16.502 -1.929 1.374 304 HA ILE 50 HA ILE 50 -15.715 0.750 1.247 305 HB ILE 50 HB ILE 50 -14.080 -1.138 1.311 306 HG12 ILE 50 1HG1 ILE 50 -12.508 -0.253 -0.420 307 HG13 ILE 50 2HG1 ILE 50 -13.828 0.694 -1.092 308 HG21 ILE 50 1HG2 ILE 50 -15.203 -2.699 -0.141 309 HG22 ILE 50 2HG2 ILE 50 -13.585 -2.372 -0.760 310 HG23 ILE 50 3HG2 ILE 50 -14.988 -1.625 -1.521 311 HD11 ILE 50 3HD1 ILE 50 -12.376 2.037 0.328 312 HD12 ILE 50 1HD1 ILE 50 -12.715 0.974 1.692 313 HD13 ILE 50 2HD1 ILE 50 -14.009 1.943 0.986 314 H GLU 51 H GLU 51 -15.456 2.139 -0.530 315 HA GLU 51 HA GLU 51 -17.171 1.514 -2.831 316 HB2 GLU 51 1HB GLU 51 -18.186 3.104 -1.160 317 HB3 GLU 51 2HB GLU 51 -16.868 4.209 -1.499 318 HG2 GLU 51 1HG GLU 51 -17.597 4.332 -3.836 319 HG3 GLU 51 2HG GLU 51 -18.941 3.255 -3.453 320 H GLN 52 H GLN 52 -16.650 3.063 -4.699 321 HA GLN 52 HA GLN 52 -14.017 2.784 -5.512 322 HB2 GLN 52 1HB GLN 52 -15.987 4.882 -6.431 323 HB3 GLN 52 2HB GLN 52 -14.543 4.374 -7.295 324 HG2 GLN 52 1HG GLN 52 -15.516 2.089 -7.436 325 HG3 GLN 52 2HG GLN 52 -16.998 2.733 -6.731 326 HE21 GLN 52 2HE2 GLN 52 -16.564 1.514 -9.321 327 HE22 GLN 52 1HE2 GLN 52 -17.056 2.683 -10.497 328 H SER 53 H SER 53 -12.241 3.740 -4.923 329 HA SER 53 HA SER 53 -12.379 6.414 -3.733 330 HB2 SER 53 1HB SER 53 -10.612 4.156 -2.768 331 HB3 SER 53 2HB SER 53 -10.818 5.746 -2.031 332 HG SER 53 HG SER 53 -12.861 3.793 -2.329 333 HA PRO 54 HA PRO 54 -9.627 6.620 -7.362 334 HB2 PRO 54 1HB PRO 54 -9.942 9.514 -6.874 335 HB3 PRO 54 2HB PRO 54 -10.259 8.573 -8.334 336 HG2 PRO 54 1HG PRO 54 -12.262 9.545 -6.853 337 HG3 PRO 54 2HG PRO 54 -12.381 7.964 -7.646 338 HD2 PRO 54 1HD PRO 54 -11.806 8.609 -4.781 339 HD3 PRO 54 2HD PRO 54 -12.834 7.334 -5.469 340 H GLU 55 H GLU 55 -9.226 8.981 -4.686 341 HA GLU 55 HA GLU 55 -6.357 9.022 -5.270 342 HB2 GLU 55 1HB GLU 55 -7.986 10.785 -3.451 343 HB3 GLU 55 2HB GLU 55 -6.283 10.993 -3.824 344 HG2 GLU 55 1HG GLU 55 -8.502 11.093 -5.846 345 HG3 GLU 55 2HG GLU 55 -7.758 12.502 -5.091 346 H LEU 56 H LEU 56 -8.350 7.334 -3.262 347 HA LEU 56 HA LEU 56 -6.914 7.492 -0.830 348 HB2 LEU 56 1HB LEU 56 -8.934 5.584 -1.908 349 HB3 LEU 56 2HB LEU 56 -8.057 5.175 -0.447 350 HG LEU 56 HG LEU 56 -10.256 6.161 0.052 351 HD11 LEU 56 1HD1 LEU 56 -7.957 7.929 0.863 352 HD12 LEU 56 2HD1 LEU 56 -8.443 6.427 1.649 353 HD13 LEU 56 3HD1 LEU 56 -9.523 7.822 1.668 354 HD21 LEU 56 3HD2 LEU 56 -9.174 8.654 -1.267 355 HD22 LEU 56 1HD2 LEU 56 -10.691 8.532 -0.378 356 HD23 LEU 56 2HD2 LEU 56 -10.478 7.647 -1.888 357 H SER 57 H SER 57 -6.513 5.499 -3.695 358 HA SER 57 HA SER 57 -4.748 3.610 -2.602 359 HB2 SER 57 1HB SER 57 -3.959 3.417 -5.023 360 HB3 SER 57 2HB SER 57 -5.684 3.165 -4.750 361 HG SER 57 HG SER 57 -5.049 4.622 -6.534 362 H ALA 58 H ALA 58 -4.017 6.487 -4.547 363 HA ALA 58 HA ALA 58 -1.331 6.740 -4.150 364 HB1 ALA 58 3HB ALA 58 -2.621 8.221 -5.596 365 HB2 ALA 58 1HB ALA 58 -1.577 9.140 -4.512 366 HB3 ALA 58 2HB ALA 58 -3.306 9.020 -4.180 367 H LYS 59 H LYS 59 -3.815 7.362 -1.807 368 HA LYS 59 HA LYS 59 -2.174 8.833 0.024 369 HB2 LYS 59 1HB LYS 59 -4.623 9.021 0.053 370 HB3 LYS 59 2HB LYS 59 -4.755 7.326 0.493 371 HG2 LYS 59 1HG LYS 59 -3.660 7.777 2.620 372 HG3 LYS 59 2HG LYS 59 -3.482 9.476 2.172 373 HD2 LYS 59 1HD LYS 59 -5.916 9.697 2.040 374 HD3 LYS 59 2HD LYS 59 -6.095 7.999 2.480 375 HE2 LYS 59 1HE LYS 59 -5.068 8.418 4.631 376 HE3 LYS 59 2HE LYS 59 -4.780 10.099 4.196 377 HZ1 LYS 59 3HZ LYS 59 -7.437 8.814 4.485 378 HZ2 LYS 59 1HZ LYS 59 -7.175 10.427 4.052 379 HZ3 LYS 59 2HZ LYS 59 -6.735 9.875 5.587 380 H VAL 60 H VAL 60 -3.271 5.495 -0.178 381 HA VAL 60 HA VAL 60 -2.036 4.417 2.084 382 HB VAL 60 HB VAL 60 -2.380 2.960 -0.546 383 HG11 VAL 60 1HG1 VAL 60 -1.029 1.736 1.052 384 HG12 VAL 60 2HG1 VAL 60 -2.603 0.963 0.858 385 HG13 VAL 60 3HG1 VAL 60 -2.272 1.939 2.288 386 HG21 VAL 60 3HG2 VAL 60 -4.574 2.254 0.335 387 HG22 VAL 60 1HG2 VAL 60 -4.482 3.990 0.047 388 HG23 VAL 60 2HG2 VAL 60 -4.360 3.362 1.688 389 H VAL 61 H VAL 61 -0.561 5.481 -0.806 390 HA VAL 61 HA VAL 61 1.889 3.951 -0.195 391 HB VAL 61 HB VAL 61 1.042 3.614 -2.500 392 HG11 VAL 61 1HG1 VAL 61 0.054 5.791 -2.896 393 HG12 VAL 61 2HG1 VAL 61 1.205 5.380 -4.167 394 HG13 VAL 61 3HG1 VAL 61 1.656 6.531 -2.909 395 HG21 VAL 61 3HG2 VAL 61 3.407 3.315 -2.068 396 HG22 VAL 61 1HG2 VAL 61 3.701 5.032 -2.351 397 HG23 VAL 61 2HG2 VAL 61 3.167 3.997 -3.675 398 H GLU 62 H GLU 62 0.605 7.127 -0.614 399 HA GLU 62 HA GLU 62 3.164 8.438 -0.460 400 HB2 GLU 62 1HB GLU 62 1.407 9.449 -1.778 401 HB3 GLU 62 2HB GLU 62 0.364 9.545 -0.366 402 HG2 GLU 62 1HG GLU 62 1.980 11.086 0.674 403 HG3 GLU 62 2HG GLU 62 2.933 11.038 -0.808 404 H LYS 63 H LYS 63 0.337 8.144 1.672 405 HA LYS 63 HA LYS 63 1.643 9.706 3.699 406 HB2 LYS 63 1HB LYS 63 -0.769 9.883 3.261 407 HB3 LYS 63 2HB LYS 63 -0.976 8.215 3.771 408 HG2 LYS 63 1HG LYS 63 -0.271 8.770 5.997 409 HG3 LYS 63 2HG LYS 63 0.066 10.431 5.506 410 HD2 LYS 63 1HD LYS 63 -2.298 10.751 4.964 411 HD3 LYS 63 2HD LYS 63 -2.636 9.087 5.445 412 HE2 LYS 63 1HE LYS 63 -3.235 10.613 7.226 413 HE3 LYS 63 2HE LYS 63 -1.873 9.609 7.718 414 HZ1 LYS 63 3HZ LYS 63 -1.765 12.433 6.814 415 HZ2 LYS 63 1HZ LYS 63 -0.397 11.495 7.132 416 HZ3 LYS 63 2HZ LYS 63 -1.474 11.860 8.375 417 H LEU 64 H LEU 64 0.183 6.490 3.805 418 HA LEU 64 HA LEU 64 1.175 5.525 6.135 419 HB2 LEU 64 1HB LEU 64 0.577 4.095 3.591 420 HB3 LEU 64 2HB LEU 64 1.317 3.207 4.904 421 HG LEU 64 HG LEU 64 -1.140 2.983 4.817 422 HD11 LEU 64 1HD1 LEU 64 -0.091 4.368 7.281 423 HD12 LEU 64 2HD1 LEU 64 0.057 2.651 6.911 424 HD13 LEU 64 3HD1 LEU 64 -1.533 3.357 7.193 425 HD21 LEU 64 3HD2 LEU 64 -1.135 5.919 5.515 426 HD22 LEU 64 1HD2 LEU 64 -2.546 4.863 5.531 427 HD23 LEU 64 2HD2 LEU 64 -1.720 5.208 4.012 428 H ASN 65 H ASN 65 3.139 5.941 3.299 429 HA ASN 65 HA ASN 65 5.324 4.307 4.024 430 HB2 ASN 65 1HB ASN 65 5.079 5.098 1.743 431 HB3 ASN 65 2HB ASN 65 5.206 6.772 2.267 432 HD21 ASN 65 2HD2 ASN 65 7.206 7.652 2.620 433 HD22 ASN 65 1HD2 ASN 65 8.683 6.830 2.262 434 H GLN 66 H GLN 66 4.162 7.023 5.439 435 HA GLN 66 HA GLN 66 6.571 8.327 6.301 436 HB2 GLN 66 1HB GLN 66 5.194 9.583 7.826 437 HB3 GLN 66 2HB GLN 66 4.284 9.399 6.333 438 HG2 GLN 66 1HG GLN 66 3.286 7.313 7.573 439 HG3 GLN 66 2HG GLN 66 3.810 8.189 9.009 440 HE21 GLN 66 2HE2 GLN 66 1.151 7.506 8.072 441 HE22 GLN 66 1HE2 GLN 66 0.305 8.998 7.921 442 H VAL 67 H VAL 67 4.419 5.893 7.633 443 HA VAL 67 HA VAL 67 5.859 5.440 10.013 444 HB VAL 67 HB VAL 67 4.137 3.407 8.588 445 HG11 VAL 67 1HG1 VAL 67 5.405 2.528 10.458 446 HG12 VAL 67 2HG1 VAL 67 3.693 2.608 10.874 447 HG13 VAL 67 3HG1 VAL 67 4.810 3.820 11.499 448 HG21 VAL 67 3HG2 VAL 67 3.259 5.599 10.467 449 HG22 VAL 67 1HG2 VAL 67 2.238 4.302 9.849 450 HG23 VAL 67 2HG2 VAL 67 2.902 5.503 8.743 451 H CYS 68 H CYS 68 5.837 3.706 6.822 452 HA CYS 68 HA CYS 68 7.735 1.821 7.378 453 HB2 CYS 68 1HB CYS 68 7.540 3.200 4.733 454 HB3 CYS 68 2HB CYS 68 7.748 1.485 5.084 455 H ALA 69 H ALA 69 8.104 5.187 6.867 456 HA ALA 69 HA ALA 69 10.916 5.111 6.183 457 HB1 ALA 69 3HB ALA 69 10.852 7.547 6.461 458 HB2 ALA 69 1HB ALA 69 9.226 7.430 7.131 459 HB3 ALA 69 2HB ALA 69 9.520 6.988 5.450 460 H LYS 70 H LYS 70 9.043 4.888 8.972 461 HA LYS 70 HA LYS 70 11.260 5.570 10.780 462 HB2 LYS 70 1HB LYS 70 8.327 5.088 11.361 463 HB3 LYS 70 2HB LYS 70 9.542 5.534 12.551 464 HG2 LYS 70 1HG LYS 70 9.807 7.693 11.594 465 HG3 LYS 70 2HG LYS 70 8.853 7.248 10.178 466 HD2 LYS 70 1HD LYS 70 7.559 8.636 11.725 467 HD3 LYS 70 2HD LYS 70 6.862 7.024 11.576 468 HE2 LYS 70 1HE LYS 70 7.899 6.367 13.681 469 HE3 LYS 70 2HE LYS 70 8.655 7.953 13.818 470 HZ1 LYS 70 3HZ LYS 70 6.643 7.764 15.160 471 HZ2 LYS 70 1HZ LYS 70 5.728 7.463 13.774 472 HZ3 LYS 70 2HZ LYS 70 6.487 8.957 13.982 473 H ASP 71 H ASP 71 9.516 2.977 9.390 474 HA ASP 71 HA ASP 71 10.785 1.031 11.154 475 HB2 ASP 71 1HB ASP 71 8.477 1.408 11.991 476 HB3 ASP 71 2HB ASP 71 7.848 1.010 10.398 477 HA PRO 72 HA PRO 72 11.562 0.072 6.762 478 HB2 PRO 72 1HB PRO 72 13.760 -1.547 7.828 479 HB3 PRO 72 2HB PRO 72 13.817 -0.156 6.742 480 HG2 PRO 72 1HG PRO 72 14.676 -0.013 9.296 481 HG3 PRO 72 2HG PRO 72 13.919 1.362 8.473 482 HD2 PRO 72 1HD PRO 72 12.727 -0.561 10.439 483 HD3 PRO 72 2HD PRO 72 12.547 1.206 10.332 484 H GLN 73 H GLN 73 11.046 -2.150 9.404 485 HA GLN 73 HA GLN 73 11.148 -4.509 7.807 486 HB2 GLN 73 1HB GLN 73 10.247 -5.636 9.796 487 HB3 GLN 73 2HB GLN 73 11.624 -4.614 10.177 488 HG2 GLN 73 1HG GLN 73 9.984 -2.851 10.874 489 HG3 GLN 73 2HG GLN 73 8.725 -4.072 10.715 490 HE21 GLN 73 2HE2 GLN 73 9.636 -2.599 13.031 491 HE22 GLN 73 1HE2 GLN 73 10.098 -3.790 14.209 492 H MET 74 H MET 74 8.884 -2.075 7.914 493 HA MET 74 HA MET 74 6.536 -3.713 7.646 494 HB2 MET 74 1HB MET 74 6.384 -1.456 8.597 495 HB3 MET 74 2HB MET 74 6.925 -0.771 7.071 496 HG2 MET 74 1HG MET 74 4.926 -1.617 5.966 497 HG3 MET 74 2HG MET 74 4.391 -2.344 7.478 498 HE1 MET 74 3HE MET 74 5.229 -0.043 9.579 499 HE2 MET 74 1HE MET 74 3.734 -0.980 9.609 500 HE3 MET 74 2HE MET 74 3.675 0.780 9.688 501 H LEU 75 H LEU 75 6.081 -4.835 5.890 502 HA LEU 75 HA LEU 75 7.325 -4.230 3.354 503 HB2 LEU 75 1HB LEU 75 5.263 -6.325 4.054 504 HB3 LEU 75 2HB LEU 75 6.183 -6.244 2.567 505 HG LEU 75 HG LEU 75 7.330 -6.760 5.310 506 HD11 LEU 75 1HD1 LEU 75 6.912 -8.605 2.967 507 HD12 LEU 75 2HD1 LEU 75 6.013 -8.629 4.485 508 HD13 LEU 75 3HD1 LEU 75 7.734 -9.016 4.473 509 HD21 LEU 75 3HD2 LEU 75 8.918 -5.585 3.899 510 HD22 LEU 75 1HD2 LEU 75 8.637 -6.734 2.591 511 HD23 LEU 75 2HD2 LEU 75 9.403 -7.271 4.086 512 H LEU 76 H LEU 76 5.797 -4.373 1.351 513 HA LEU 76 HA LEU 76 4.096 -2.122 1.458 514 HB2 LEU 76 1HB LEU 76 5.229 -2.851 -0.599 515 HB3 LEU 76 2HB LEU 76 4.231 -4.297 -0.631 516 HG LEU 76 HG LEU 76 2.229 -2.904 -0.957 517 HD11 LEU 76 1HD1 LEU 76 2.503 -0.520 -1.517 518 HD12 LEU 76 2HD1 LEU 76 4.193 -0.622 -1.029 519 HD13 LEU 76 3HD1 LEU 76 2.916 -0.883 0.157 520 HD21 LEU 76 3HD2 LEU 76 2.711 -2.209 -3.256 521 HD22 LEU 76 1HD2 LEU 76 3.397 -3.794 -2.901 522 HD23 LEU 76 2HD2 LEU 76 4.438 -2.370 -2.941 523 H ILE 77 H ILE 77 3.483 -5.584 1.520 524 HA ILE 77 HA ILE 77 0.688 -5.542 1.405 525 HB ILE 77 HB ILE 77 2.421 -7.469 2.976 526 HG12 ILE 77 1HG1 ILE 77 3.143 -7.357 0.643 527 HG13 ILE 77 2HG1 ILE 77 2.357 -8.896 0.971 528 HG21 ILE 77 1HG2 ILE 77 0.569 -9.054 2.675 529 HG22 ILE 77 2HG2 ILE 77 -0.376 -7.790 1.890 530 HG23 ILE 77 3HG2 ILE 77 0.074 -7.628 3.588 531 HD11 ILE 77 3HD1 ILE 77 0.327 -8.091 -0.110 532 HD12 ILE 77 1HD1 ILE 77 1.715 -8.002 -1.194 533 HD13 ILE 77 2HD1 ILE 77 1.106 -6.539 -0.420 534 H THR 78 H THR 78 2.893 -5.484 4.183 535 HA THR 78 HA THR 78 1.086 -5.417 6.255 536 HB THR 78 HB THR 78 3.582 -3.756 6.318 537 HG1 THR 78 HG1 THR 78 3.408 -6.611 6.224 538 HG21 THR 78 3HG2 THR 78 2.205 -3.933 8.349 539 HG22 THR 78 1HG2 THR 78 3.768 -4.722 8.567 540 HG23 THR 78 2HG2 THR 78 2.325 -5.691 8.277 541 H ALA 79 H ALA 79 2.663 -2.626 4.707 542 HA ALA 79 HA ALA 79 1.427 -0.540 5.969 543 HB1 ALA 79 3HB ALA 79 2.066 -0.635 3.025 544 HB2 ALA 79 1HB ALA 79 3.217 -0.277 4.313 545 HB3 ALA 79 2HB ALA 79 1.869 0.817 4.005 546 H ILE 80 H ILE 80 0.218 -1.974 2.931 547 HA ILE 80 HA ILE 80 -2.152 -0.468 2.800 548 HB ILE 80 HB ILE 80 -1.720 -3.248 1.695 549 HG12 ILE 80 1HG1 ILE 80 -1.146 -0.579 0.387 550 HG13 ILE 80 2HG1 ILE 80 0.080 -1.656 1.044 551 HG21 ILE 80 1HG2 ILE 80 -3.578 -1.028 0.848 552 HG22 ILE 80 2HG2 ILE 80 -4.043 -2.530 1.646 553 HG23 ILE 80 3HG2 ILE 80 -3.375 -2.568 0.014 554 HD11 ILE 80 3HD1 ILE 80 -0.063 -1.865 -1.360 555 HD12 ILE 80 1HD1 ILE 80 -1.778 -2.263 -1.243 556 HD13 ILE 80 2HD1 ILE 80 -0.568 -3.363 -0.580 557 H ASP 81 H ASP 81 -1.500 -3.669 4.140 558 HA ASP 81 HA ASP 81 -4.161 -4.310 4.840 559 HB2 ASP 81 1HB ASP 81 -2.352 -5.970 4.599 560 HB3 ASP 81 2HB ASP 81 -1.564 -5.313 6.028 561 H ASP 82 H ASP 82 -1.734 -2.376 6.351 562 HA ASP 82 HA ASP 82 -3.088 -2.266 8.900 563 HB2 ASP 82 1HB ASP 82 -0.621 -2.075 8.743 564 HB3 ASP 82 2HB ASP 82 -0.816 -0.559 7.867 565 H THR 83 H THR 83 -2.881 -0.338 5.975 566 HA THR 83 HA THR 83 -4.000 2.045 6.911 567 HB THR 83 HB THR 83 -4.446 0.937 4.130 568 HG1 THR 83 HG1 THR 83 -2.116 1.071 5.137 569 HG21 THR 83 3HG2 THR 83 -4.211 3.385 3.565 570 HG22 THR 83 1HG2 THR 83 -4.255 3.718 5.290 571 HG23 THR 83 2HG2 THR 83 -5.649 2.976 4.502 572 H MET 84 H MET 84 -5.464 -0.983 5.872 573 HA MET 84 HA MET 84 -8.110 -0.033 5.713 574 HB2 MET 84 1HB MET 84 -8.844 -2.284 5.738 575 HB3 MET 84 2HB MET 84 -7.332 -2.249 4.844 576 HG2 MET 84 1HG MET 84 -6.223 -3.460 6.397 577 HG3 MET 84 2HG MET 84 -7.174 -2.821 7.737 578 HE1 MET 84 3HE MET 84 -7.477 -5.055 4.507 579 HE2 MET 84 1HE MET 84 -8.888 -4.001 4.570 580 HE3 MET 84 2HE MET 84 -9.083 -5.741 4.783 581 H ARG 85 H ARG 85 -6.131 -0.942 8.492 582 HA ARG 85 HA ARG 85 -8.264 -1.138 10.322 583 HB2 ARG 85 1HB ARG 85 -5.406 -0.285 10.845 584 HB3 ARG 85 2HB ARG 85 -6.541 -0.923 12.027 585 HG2 ARG 85 1HG ARG 85 -6.528 -3.075 10.944 586 HG3 ARG 85 2HG ARG 85 -5.506 -2.453 9.649 587 HD2 ARG 85 1HD ARG 85 -4.137 -3.688 11.183 588 HD3 ARG 85 2HD ARG 85 -3.752 -1.978 11.341 589 HE ARG 85 HE ARG 85 -5.717 -2.631 13.229 590 HH11 ARG 85 1HH1 ARG 85 -2.338 -3.278 12.561 591 HH12 ARG 85 2HH1 ARG 85 -1.933 -3.570 14.216 592 HH21 ARG 85 1HH2 ARG 85 -5.173 -2.994 15.435 593 HH22 ARG 85 2HH2 ARG 85 -3.547 -3.401 15.855 594 H ALA 86 H ALA 86 -6.180 1.480 9.257 595 HA ALA 86 HA ALA 86 -7.200 3.508 10.883 596 HB1 ALA 86 3HB ALA 86 -5.119 3.721 9.606 597 HB2 ALA 86 1HB ALA 86 -6.217 5.063 9.286 598 HB3 ALA 86 2HB ALA 86 -6.046 3.764 8.105 599 H ILE 87 H ILE 87 -8.102 2.716 7.445 600 HA ILE 87 HA ILE 87 -10.286 4.563 7.456 601 HB ILE 87 HB ILE 87 -9.922 2.198 5.610 602 HG12 ILE 87 1HG1 ILE 87 -8.767 4.972 5.284 603 HG13 ILE 87 2HG1 ILE 87 -7.842 3.526 5.687 604 HG21 ILE 87 1HG2 ILE 87 -12.084 3.301 5.442 605 HG22 ILE 87 2HG2 ILE 87 -11.124 3.605 3.994 606 HG23 ILE 87 3HG2 ILE 87 -11.290 4.860 5.222 607 HD11 ILE 87 3HD1 ILE 87 -7.643 4.041 3.328 608 HD12 ILE 87 1HD1 ILE 87 -9.402 3.984 3.162 609 HD13 ILE 87 2HD1 ILE 87 -8.515 2.520 3.567 610 H GLY 88 H GLY 88 -9.870 1.356 8.531 611 HA2 GLY 88 1HA GLY 88 -12.463 0.317 8.104 612 HA3 GLY 88 2HA GLY 88 -11.263 -0.331 9.201 613 H LYS 89 H LYS 89 -13.357 2.531 8.995 614 HA LYS 89 HA LYS 89 -13.720 2.868 11.744 615 HB2 LYS 89 1HB LYS 89 -15.776 4.151 11.041 616 HB3 LYS 89 2HB LYS 89 -14.283 4.655 10.262 617 HG2 LYS 89 1HG LYS 89 -14.899 3.359 8.265 618 HG3 LYS 89 2HG LYS 89 -16.402 2.889 9.058 619 HD2 LYS 89 1HD LYS 89 -17.133 5.191 9.129 620 HD3 LYS 89 2HD LYS 89 -15.589 5.731 8.468 621 HE2 LYS 89 1HE LYS 89 -17.338 5.673 6.747 622 HE3 LYS 89 2HE LYS 89 -16.034 4.543 6.391 623 HZ1 LYS 89 3HZ LYS 89 -17.402 2.743 7.220 624 HZ2 LYS 89 1HZ LYS 89 -18.212 3.573 5.994 625 HZ3 LYS 89 2HZ LYS 89 -18.645 3.818 7.610 626 H LYS 90 H LYS 90 -15.055 1.959 13.202 627 HA LYS 90 HA LYS 90 -17.341 0.406 12.428 628 HB2 LYS 90 1HB LYS 90 -15.398 -1.166 12.117 629 HB3 LYS 90 2HB LYS 90 -15.061 -1.001 13.831 630 HG2 LYS 90 1HG LYS 90 -17.231 -1.960 14.369 631 HG3 LYS 90 2HG LYS 90 -17.606 -2.092 12.650 632 HD2 LYS 90 1HD LYS 90 -15.653 -3.583 12.376 633 HD3 LYS 90 2HD LYS 90 -15.376 -3.501 14.116 634 HE2 LYS 90 1HE LYS 90 -17.599 -4.458 14.503 635 HE3 LYS 90 2HE LYS 90 -17.855 -4.555 12.762 636 HZ1 LYS 90 3HZ LYS 90 -15.753 -5.990 14.290 637 HZ2 LYS 90 1HZ LYS 90 -15.971 -6.074 12.616 638 HZ3 LYS 90 2HZ LYS 90 -17.156 -6.677 13.653 Start of MODEL 12 1 H ASN 7 H ASN 7 15.527 -19.517 0.276 2 HA ASN 7 HA ASN 7 16.404 -16.880 1.230 3 HB2 ASN 7 1HB ASN 7 18.288 -17.098 -0.413 4 HB3 ASN 7 2HB ASN 7 18.341 -18.267 0.902 5 HD21 ASN 7 2HD2 ASN 7 17.871 -17.794 -2.499 6 HD22 ASN 7 1HD2 ASN 7 17.930 -19.466 -2.930 7 H GLY 8 H GLY 8 14.816 -18.664 -1.293 8 HA2 GLY 8 1HA GLY 8 14.621 -16.287 -2.980 9 HA3 GLY 8 2HA GLY 8 14.071 -17.907 -3.393 10 H LEU 9 H LEU 9 13.409 -15.345 -1.027 11 HA LEU 9 HA LEU 9 10.786 -16.221 -0.445 12 HB2 LEU 9 1HB LEU 9 12.177 -13.585 -0.004 13 HB3 LEU 9 2HB LEU 9 10.521 -13.861 0.491 14 HG LEU 9 HG LEU 9 11.401 -15.774 1.915 15 HD11 LEU 9 1HD1 LEU 9 14.041 -14.443 1.334 16 HD12 LEU 9 2HD1 LEU 9 13.563 -16.068 0.843 17 HD13 LEU 9 3HD1 LEU 9 13.757 -15.684 2.554 18 HD21 LEU 9 3HD2 LEU 9 10.708 -13.638 2.847 19 HD22 LEU 9 1HD2 LEU 9 12.311 -12.971 2.541 20 HD23 LEU 9 2HD2 LEU 9 12.108 -14.275 3.709 21 HA PRO 10 HA PRO 10 8.340 -14.816 -3.853 22 HB2 PRO 10 1HB PRO 10 6.118 -13.985 -2.390 23 HB3 PRO 10 2HB PRO 10 6.420 -15.638 -2.933 24 HG2 PRO 10 1HG PRO 10 6.936 -14.391 -0.269 25 HG3 PRO 10 2HG PRO 10 6.338 -16.016 -0.652 26 HD2 PRO 10 1HD PRO 10 8.869 -15.625 0.095 27 HD3 PRO 10 2HD PRO 10 8.459 -16.811 -1.163 28 H SER 11 H SER 11 7.466 -12.905 -4.796 29 HA SER 11 HA SER 11 8.939 -10.588 -4.316 30 HB2 SER 11 1HB SER 11 7.217 -9.519 -5.864 31 HB3 SER 11 2HB SER 11 8.076 -10.928 -6.493 32 HG SER 11 HG SER 11 5.648 -10.798 -6.679 33 H GLU 12 H GLU 12 5.652 -11.421 -3.348 34 HA GLU 12 HA GLU 12 4.821 -8.966 -2.311 35 HB2 GLU 12 1HB GLU 12 4.131 -11.710 -1.261 36 HB3 GLU 12 2HB GLU 12 3.197 -10.240 -1.030 37 HG2 GLU 12 1HG GLU 12 2.752 -10.140 -3.424 38 HG3 GLU 12 2HG GLU 12 3.704 -11.605 -3.664 39 H THR 13 H THR 13 6.600 -11.561 -0.828 40 HA THR 13 HA THR 13 6.702 -10.319 1.784 41 HB THR 13 HB THR 13 8.294 -12.707 0.819 42 HG1 THR 13 HG1 THR 13 5.581 -12.415 1.493 43 HG21 THR 13 3HG2 THR 13 7.330 -11.876 3.565 44 HG22 THR 13 1HG2 THR 13 8.994 -11.815 2.988 45 HG23 THR 13 2HG2 THR 13 8.189 -13.371 3.194 46 H TYR 14 H TYR 14 8.356 -9.870 -1.078 47 HA TYR 14 HA TYR 14 10.870 -9.132 0.212 48 HB2 TYR 14 1HB TYR 14 11.152 -10.677 -1.589 49 HB3 TYR 14 2HB TYR 14 10.092 -9.753 -2.638 50 HD1 TYR 14 HD1 TYR 14 13.430 -9.842 -1.077 51 HD2 TYR 14 HD2 TYR 14 10.925 -7.955 -3.939 52 HE1 TYR 14 HE1 TYR 14 15.382 -8.700 -2.031 53 HE2 TYR 14 HE2 TYR 14 12.855 -6.809 -4.898 54 HH TYR 14 HH TYR 14 15.142 -6.101 -4.128 55 H ILE 15 H ILE 15 8.010 -7.616 -0.678 56 HA ILE 15 HA ILE 15 9.446 -5.190 -1.493 57 HB ILE 15 HB ILE 15 8.065 -6.108 -3.321 58 HG12 ILE 15 1HG1 ILE 15 6.789 -4.050 -3.846 59 HG13 ILE 15 2HG1 ILE 15 7.028 -3.503 -2.189 60 HG21 ILE 15 1HG2 ILE 15 6.335 -7.203 -2.035 61 HG22 ILE 15 2HG2 ILE 15 5.618 -6.069 -3.181 62 HG23 ILE 15 3HG2 ILE 15 5.733 -5.643 -1.474 63 HD11 ILE 15 3HD1 ILE 15 9.210 -4.020 -4.190 64 HD12 ILE 15 1HD1 ILE 15 9.418 -3.411 -2.550 65 HD13 ILE 15 2HD1 ILE 15 8.566 -2.439 -3.749 66 H THR 16 H THR 16 9.083 -3.314 -0.422 67 HA THR 16 HA THR 16 7.010 -3.334 1.676 68 HB THR 16 HB THR 16 8.447 -2.008 3.110 69 HG1 THR 16 HG1 THR 16 10.058 -1.891 0.795 70 HG21 THR 16 3HG2 THR 16 10.331 -3.560 3.509 71 HG22 THR 16 1HG2 THR 16 9.969 -4.359 1.980 72 HG23 THR 16 2HG2 THR 16 8.796 -4.397 3.298 73 H CYS 17 H CYS 17 6.638 -0.941 2.379 74 HA CYS 17 HA CYS 17 5.894 0.522 0.016 75 HB2 CYS 17 1HB CYS 17 5.628 1.917 2.560 76 HB3 CYS 17 2HB CYS 17 4.404 1.486 1.376 77 H ALA 18 H ALA 18 8.543 0.426 2.155 78 HA ALA 18 HA ALA 18 9.425 3.079 2.166 79 HB1 ALA 18 3HB ALA 18 11.563 2.195 2.894 80 HB2 ALA 18 1HB ALA 18 11.087 0.574 2.386 81 HB3 ALA 18 2HB ALA 18 10.241 1.367 3.716 82 H GLU 19 H GLU 19 10.531 0.367 0.068 83 HA GLU 19 HA GLU 19 11.955 2.327 -1.507 84 HB2 GLU 19 1HB GLU 19 12.130 -0.132 -2.878 85 HB3 GLU 19 2HB GLU 19 13.374 0.681 -1.949 86 HG2 GLU 19 1HG GLU 19 13.372 -1.346 -0.931 87 HG3 GLU 19 2HG GLU 19 12.177 -0.517 0.064 88 H ALA 20 H ALA 20 8.881 0.853 -1.568 89 HA ALA 20 HA ALA 20 8.301 0.976 -4.305 90 HB1 ALA 20 3HB ALA 20 6.833 -0.111 -2.662 91 HB2 ALA 20 1HB ALA 20 5.955 1.086 -3.616 92 HB3 ALA 20 2HB ALA 20 6.450 1.463 -1.966 93 H ASN 21 H ASN 21 8.540 3.387 -1.834 94 HA ASN 21 HA ASN 21 7.274 5.567 -3.091 95 HB2 ASN 21 1HB ASN 21 7.911 5.652 -0.746 96 HB3 ASN 21 2HB ASN 21 9.611 5.494 -1.170 97 HD21 ASN 21 2HD2 ASN 21 10.190 7.389 -0.180 98 HD22 ASN 21 1HD2 ASN 21 9.757 8.946 -0.795 99 H GLU 22 H GLU 22 10.709 4.738 -2.925 100 HA GLU 22 HA GLU 22 11.728 6.565 -4.738 101 HB2 GLU 22 1HB GLU 22 12.653 3.727 -4.276 102 HB3 GLU 22 2HB GLU 22 13.594 4.985 -5.067 103 HG2 GLU 22 1HG GLU 22 13.644 6.277 -3.028 104 HG3 GLU 22 2HG GLU 22 12.608 5.097 -2.227 105 H MET 23 H MET 23 10.479 3.299 -5.385 106 HA MET 23 HA MET 23 10.859 3.277 -8.141 107 HB2 MET 23 1HB MET 23 8.651 2.000 -6.515 108 HB3 MET 23 2HB MET 23 9.009 1.616 -8.191 109 HG2 MET 23 1HG MET 23 11.188 0.771 -7.567 110 HG3 MET 23 2HG MET 23 10.914 1.242 -5.892 111 HE1 MET 23 3HE MET 23 8.314 -0.383 -8.397 112 HE2 MET 23 1HE MET 23 8.566 -2.094 -8.063 113 HE3 MET 23 2HE MET 23 9.849 -1.144 -8.812 114 H ALA 24 H ALA 24 7.982 4.232 -6.314 115 HA ALA 24 HA ALA 24 6.357 5.097 -8.361 116 HB1 ALA 24 3HB ALA 24 5.608 4.903 -6.050 117 HB2 ALA 24 1HB ALA 24 5.195 6.478 -6.727 118 HB3 ALA 24 2HB ALA 24 6.558 6.322 -5.617 119 H LYS 25 H LYS 25 9.108 6.787 -6.989 120 HA LYS 25 HA LYS 25 8.512 9.348 -8.046 121 HB2 LYS 25 1HB LYS 25 11.181 8.130 -7.322 122 HB3 LYS 25 2HB LYS 25 10.927 9.828 -7.700 123 HG2 LYS 25 1HG LYS 25 9.412 10.025 -5.793 124 HG3 LYS 25 2HG LYS 25 9.687 8.325 -5.410 125 HD2 LYS 25 1HD LYS 25 12.078 8.803 -5.098 126 HD3 LYS 25 2HD LYS 25 11.769 10.508 -5.442 127 HE2 LYS 25 1HE LYS 25 10.250 10.605 -3.522 128 HE3 LYS 25 2HE LYS 25 10.594 8.912 -3.170 129 HZ1 LYS 25 3HZ LYS 25 11.903 10.340 -1.775 130 HZ2 LYS 25 1HZ LYS 25 12.543 11.145 -3.116 131 HZ3 LYS 25 2HZ LYS 25 12.926 9.524 -2.841 132 H THR 26 H THR 26 9.526 6.511 -9.521 133 HA THR 26 HA THR 26 10.288 7.976 -11.961 134 HB THR 26 HB THR 26 11.491 5.747 -12.564 135 HG1 THR 26 HG1 THR 26 11.703 5.544 -9.744 136 HG21 THR 26 3HG2 THR 26 12.589 7.573 -10.420 137 HG22 THR 26 1HG2 THR 26 12.668 7.853 -12.159 138 HG23 THR 26 2HG2 THR 26 13.549 6.503 -11.442 139 H ASP 27 H ASP 27 8.613 5.212 -10.605 140 HA ASP 27 HA ASP 27 6.950 5.093 -13.015 141 HB2 ASP 27 1HB ASP 27 8.181 2.833 -11.473 142 HB3 ASP 27 2HB ASP 27 6.696 2.589 -12.390 143 H SER 28 H SER 28 5.823 6.640 -11.589 144 HA SER 28 HA SER 28 4.535 6.032 -9.220 145 HB2 SER 28 1HB SER 28 3.405 7.723 -11.461 146 HB3 SER 28 2HB SER 28 2.969 7.814 -9.756 147 HG SER 28 HG SER 28 5.574 8.072 -9.828 148 H ALA 29 H ALA 29 3.511 5.288 -12.543 149 HA ALA 29 HA ALA 29 0.902 4.471 -11.948 150 HB1 ALA 29 3HB ALA 29 2.637 3.489 -14.206 151 HB2 ALA 29 1HB ALA 29 1.720 4.995 -14.214 152 HB3 ALA 29 2HB ALA 29 0.877 3.447 -14.128 153 H GLN 30 H GLN 30 3.869 2.515 -12.282 154 HA GLN 30 HA GLN 30 2.681 0.011 -11.900 155 HB2 GLN 30 1HB GLN 30 5.477 0.924 -11.238 156 HB3 GLN 30 2HB GLN 30 4.954 -0.751 -11.184 157 HG2 GLN 30 1HG GLN 30 4.403 -0.614 -13.584 158 HG3 GLN 30 2HG GLN 30 5.046 1.027 -13.603 159 HE21 GLN 30 2HE2 GLN 30 6.665 0.528 -15.058 160 HE22 GLN 30 1HE2 GLN 30 8.034 -0.436 -14.629 161 H VAL 31 H VAL 31 3.959 2.285 -9.528 162 HA VAL 31 HA VAL 31 3.692 0.425 -7.357 163 HB VAL 31 HB VAL 31 4.199 3.403 -7.296 164 HG11 VAL 31 1HG1 VAL 31 4.465 1.323 -5.125 165 HG12 VAL 31 2HG1 VAL 31 3.287 2.634 -5.177 166 HG13 VAL 31 3HG1 VAL 31 5.005 2.997 -5.000 167 HG21 VAL 31 3HG2 VAL 31 5.937 2.154 -8.465 168 HG22 VAL 31 1HG2 VAL 31 6.093 1.065 -7.087 169 HG23 VAL 31 2HG2 VAL 31 6.531 2.766 -6.920 170 H ALA 32 H ALA 32 1.815 3.103 -8.630 171 HA ALA 32 HA ALA 32 0.016 3.198 -6.403 172 HB1 ALA 32 3HB ALA 32 0.366 5.170 -7.786 173 HB2 ALA 32 1HB ALA 32 -1.330 4.688 -7.819 174 HB3 ALA 32 2HB ALA 32 -0.279 4.323 -9.189 175 H GLU 33 H GLU 33 0.218 1.453 -9.398 176 HA GLU 33 HA GLU 33 -2.481 0.542 -9.421 177 HB2 GLU 33 1HB GLU 33 -1.056 0.623 -11.447 178 HB3 GLU 33 2HB GLU 33 -0.037 -0.636 -10.764 179 HG2 GLU 33 1HG GLU 33 -1.500 -1.625 -12.363 180 HG3 GLU 33 2HG GLU 33 -2.001 -2.146 -10.755 181 H ILE 34 H ILE 34 0.572 -1.194 -8.783 182 HA ILE 34 HA ILE 34 -0.516 -3.590 -7.903 183 HB ILE 34 HB ILE 34 2.075 -2.317 -6.984 184 HG12 ILE 34 1HG1 ILE 34 1.516 -4.334 -9.176 185 HG13 ILE 34 2HG1 ILE 34 1.885 -2.632 -9.428 186 HG21 ILE 34 1HG2 ILE 34 1.375 -4.095 -5.456 187 HG22 ILE 34 2HG2 ILE 34 2.785 -4.586 -6.394 188 HG23 ILE 34 3HG2 ILE 34 1.189 -5.203 -6.817 189 HD11 ILE 34 3HD1 ILE 34 3.826 -4.022 -9.844 190 HD12 ILE 34 1HD1 ILE 34 3.725 -4.679 -8.212 191 HD13 ILE 34 2HD1 ILE 34 4.100 -2.975 -8.453 192 H VAL 35 H VAL 35 0.306 -0.748 -5.952 193 HA VAL 35 HA VAL 35 -0.334 -1.808 -3.442 194 HB VAL 35 HB VAL 35 -0.215 1.001 -4.517 195 HG11 VAL 35 1HG1 VAL 35 -0.910 0.215 -1.691 196 HG12 VAL 35 2HG1 VAL 35 -1.938 1.090 -2.824 197 HG13 VAL 35 3HG1 VAL 35 -0.464 1.838 -2.212 198 HG21 VAL 35 3HG2 VAL 35 1.442 -0.508 -2.497 199 HG22 VAL 35 1HG2 VAL 35 1.717 1.156 -3.015 200 HG23 VAL 35 2HG2 VAL 35 1.888 -0.166 -4.169 201 H ALA 36 H ALA 36 -2.351 -0.168 -5.828 202 HA ALA 36 HA ALA 36 -4.653 -0.125 -4.124 203 HB1 ALA 36 3HB ALA 36 -4.280 1.614 -5.803 204 HB2 ALA 36 1HB ALA 36 -5.826 0.798 -6.033 205 HB3 ALA 36 2HB ALA 36 -4.460 0.411 -7.080 206 H VAL 37 H VAL 37 -3.507 -2.161 -6.764 207 HA VAL 37 HA VAL 37 -5.834 -3.605 -7.272 208 HB VAL 37 HB VAL 37 -2.999 -4.680 -7.333 209 HG11 VAL 37 1HG1 VAL 37 -5.520 -5.803 -8.565 210 HG12 VAL 37 2HG1 VAL 37 -4.616 -6.509 -7.225 211 HG13 VAL 37 3HG1 VAL 37 -3.887 -6.417 -8.828 212 HG21 VAL 37 3HG2 VAL 37 -3.133 -4.254 -9.729 213 HG22 VAL 37 1HG2 VAL 37 -3.377 -2.769 -8.811 214 HG23 VAL 37 2HG2 VAL 37 -4.758 -3.597 -9.531 215 H MET 38 H MET 38 -3.186 -4.963 -5.194 216 HA MET 38 HA MET 38 -4.855 -6.791 -3.965 217 HB2 MET 38 1HB MET 38 -2.442 -7.002 -3.984 218 HB3 MET 38 2HB MET 38 -2.278 -5.519 -3.057 219 HG2 MET 38 1HG MET 38 -3.611 -6.699 -1.239 220 HG3 MET 38 2HG MET 38 -3.316 -8.180 -2.151 221 HE1 MET 38 3HE MET 38 -1.743 -5.207 -0.183 222 HE2 MET 38 1HE MET 38 -0.916 -5.059 -1.732 223 HE3 MET 38 2HE MET 38 -0.016 -5.540 -0.297 224 H GLY 39 H GLY 39 -4.013 -3.473 -3.187 225 HA2 GLY 39 1HA GLY 39 -4.899 -3.400 -0.553 226 HA3 GLY 39 2HA GLY 39 -4.821 -2.010 -1.629 227 H ASN 40 H ASN 40 -6.692 -2.358 -3.423 228 HA ASN 40 HA ASN 40 -9.058 -1.782 -2.046 229 HB2 ASN 40 1HB ASN 40 -9.929 -1.240 -4.094 230 HB3 ASN 40 2HB ASN 40 -8.235 -1.398 -4.565 231 HD21 ASN 40 2HD2 ASN 40 -7.591 -3.114 -5.768 232 HD22 ASN 40 1HD2 ASN 40 -8.687 -4.158 -6.601 233 H ALA 41 H ALA 41 -7.940 -4.800 -3.475 234 HA ALA 41 HA ALA 41 -10.329 -6.253 -3.013 235 HB1 ALA 41 3HB ALA 41 -8.959 -8.247 -3.392 236 HB2 ALA 41 1HB ALA 41 -7.498 -7.264 -3.281 237 HB3 ALA 41 2HB ALA 41 -8.636 -7.007 -4.604 238 H SER 42 H SER 42 -7.405 -5.803 -1.176 239 HA SER 42 HA SER 42 -8.087 -7.599 0.925 240 HB2 SER 42 1HB SER 42 -5.746 -6.859 0.342 241 HB3 SER 42 2HB SER 42 -6.116 -5.315 1.108 242 HG SER 42 HG SER 42 -6.217 -7.867 2.342 243 H VAL 43 H VAL 43 -8.002 -4.000 0.901 244 HA VAL 43 HA VAL 43 -9.058 -3.718 3.458 245 HB VAL 43 HB VAL 43 -9.490 -1.400 2.944 246 HG11 VAL 43 1HG1 VAL 43 -7.145 -2.126 3.204 247 HG12 VAL 43 2HG1 VAL 43 -7.309 -0.707 2.169 248 HG13 VAL 43 3HG1 VAL 43 -7.026 -2.293 1.452 249 HG21 VAL 43 3HG2 VAL 43 -9.105 -2.134 0.040 250 HG22 VAL 43 1HG2 VAL 43 -9.307 -0.498 0.670 251 HG23 VAL 43 2HG2 VAL 43 -10.626 -1.666 0.800 252 H ALA 44 H ALA 44 -10.779 -4.022 0.363 253 HA ALA 44 HA ALA 44 -13.319 -3.432 1.509 254 HB1 ALA 44 3HB ALA 44 -12.638 -4.700 -1.139 255 HB2 ALA 44 1HB ALA 44 -12.823 -2.974 -0.840 256 HB3 ALA 44 2HB ALA 44 -14.210 -4.050 -0.672 257 H SER 45 H SER 45 -11.381 -6.108 1.730 258 HA SER 45 HA SER 45 -13.560 -8.048 1.567 259 HB2 SER 45 1HB SER 45 -11.927 -9.799 1.880 260 HB3 SER 45 2HB SER 45 -11.291 -8.660 0.696 261 HG SER 45 HG SER 45 -10.088 -7.709 2.448 262 H ARG 46 H ARG 46 -12.084 -6.087 3.930 263 HA ARG 46 HA ARG 46 -13.199 -7.810 6.063 264 HB2 ARG 46 1HB ARG 46 -11.069 -5.701 6.392 265 HB3 ARG 46 2HB ARG 46 -11.606 -6.864 7.591 266 HG2 ARG 46 1HG ARG 46 -10.145 -7.514 5.041 267 HG3 ARG 46 2HG ARG 46 -9.438 -7.449 6.654 268 HD2 ARG 46 1HD ARG 46 -11.028 -9.243 7.340 269 HD3 ARG 46 2HD ARG 46 -11.541 -9.363 5.655 270 HE ARG 46 HE ARG 46 -8.703 -9.658 6.230 271 HH11 ARG 46 1HH1 ARG 46 -11.750 -11.228 5.465 272 HH12 ARG 46 2HH1 ARG 46 -11.009 -12.696 4.942 273 HH21 ARG 46 1HH2 ARG 46 -7.721 -11.611 5.533 274 HH22 ARG 46 2HH2 ARG 46 -8.709 -12.918 4.981 275 H ASP 47 H ASP 47 -13.161 -4.694 4.620 276 HA ASP 47 HA ASP 47 -14.762 -3.546 6.753 277 HB2 ASP 47 1HB ASP 47 -12.815 -2.320 5.855 278 HB3 ASP 47 2HB ASP 47 -13.594 -2.275 4.278 279 H LEU 48 H LEU 48 -14.888 -3.878 3.207 280 HA LEU 48 HA LEU 48 -16.578 -4.187 1.738 281 HB2 LEU 48 1HB LEU 48 -18.148 -4.801 4.232 282 HB3 LEU 48 2HB LEU 48 -18.852 -4.877 2.630 283 HG LEU 48 HG LEU 48 -16.472 -6.529 3.480 284 HD11 LEU 48 1HD1 LEU 48 -18.419 -7.103 4.841 285 HD12 LEU 48 2HD1 LEU 48 -18.042 -8.386 3.691 286 HD13 LEU 48 3HD1 LEU 48 -19.389 -7.292 3.380 287 HD21 LEU 48 3HD2 LEU 48 -16.660 -6.202 1.077 288 HD22 LEU 48 1HD2 LEU 48 -18.351 -6.701 1.122 289 HD23 LEU 48 2HD2 LEU 48 -17.079 -7.859 1.503 290 H LYS 49 H LYS 49 -16.418 -1.623 3.777 291 HA LYS 49 HA LYS 49 -18.779 -0.303 2.617 292 HB2 LYS 49 1HB LYS 49 -17.017 0.733 4.834 293 HB3 LYS 49 2HB LYS 49 -18.628 1.284 4.394 294 HG2 LYS 49 1HG LYS 49 -19.641 -0.612 5.314 295 HG3 LYS 49 2HG LYS 49 -18.113 -1.493 5.386 296 HD2 LYS 49 1HD LYS 49 -17.315 0.238 7.025 297 HD3 LYS 49 2HD LYS 49 -18.967 0.855 7.066 298 HE2 LYS 49 1HE LYS 49 -18.181 -1.982 7.693 299 HE3 LYS 49 2HE LYS 49 -18.425 -0.729 8.911 300 HZ1 LYS 49 3HZ LYS 49 -20.407 -2.059 8.677 301 HZ2 LYS 49 1HZ LYS 49 -20.469 -1.755 7.014 302 HZ3 LYS 49 2HZ LYS 49 -20.720 -0.495 8.111 303 H ILE 50 H ILE 50 -15.378 -0.493 2.558 304 HA ILE 50 HA ILE 50 -14.816 2.077 1.495 305 HB ILE 50 HB ILE 50 -13.270 -0.416 1.947 306 HG12 ILE 50 1HG1 ILE 50 -11.532 1.218 2.651 307 HG13 ILE 50 2HG1 ILE 50 -12.579 2.530 2.128 308 HG21 ILE 50 1HG2 ILE 50 -12.852 -0.230 -0.427 309 HG22 ILE 50 2HG2 ILE 50 -11.406 0.243 0.466 310 HG23 ILE 50 3HG2 ILE 50 -12.440 1.475 -0.253 311 HD11 ILE 50 3HD1 ILE 50 -13.162 0.562 4.324 312 HD12 ILE 50 1HD1 ILE 50 -14.219 1.875 3.810 313 HD13 ILE 50 2HD1 ILE 50 -12.650 2.237 4.529 314 H GLU 51 H GLU 51 -14.770 2.795 -0.529 315 HA GLU 51 HA GLU 51 -15.613 0.949 -2.658 316 HB2 GLU 51 1HB GLU 51 -16.637 2.822 -3.784 317 HB3 GLU 51 2HB GLU 51 -17.242 2.756 -2.138 318 HG2 GLU 51 1HG GLU 51 -15.828 4.580 -1.481 319 HG3 GLU 51 2HG GLU 51 -15.034 4.583 -3.055 320 H GLN 52 H GLN 52 -14.828 1.731 -4.878 321 HA GLN 52 HA GLN 52 -11.987 2.214 -4.614 322 HB2 GLN 52 1HB GLN 52 -13.684 1.461 -6.986 323 HB3 GLN 52 2HB GLN 52 -11.960 1.791 -7.098 324 HG2 GLN 52 1HG GLN 52 -11.566 -0.018 -5.446 325 HG3 GLN 52 2HG GLN 52 -13.286 -0.396 -5.518 326 HE21 GLN 52 2HE2 GLN 52 -10.272 -0.424 -7.229 327 HE22 GLN 52 1HE2 GLN 52 -10.771 -1.501 -8.487 328 H SER 53 H SER 53 -11.668 4.270 -4.153 329 HA SER 53 HA SER 53 -12.548 6.247 -6.133 330 HB2 SER 53 1HB SER 53 -13.765 6.615 -4.056 331 HB3 SER 53 2HB SER 53 -12.267 6.572 -3.134 332 HG SER 53 HG SER 53 -13.229 8.560 -4.889 333 HA PRO 54 HA PRO 54 -8.180 6.835 -6.854 334 HB2 PRO 54 1HB PRO 54 -9.051 9.621 -7.464 335 HB3 PRO 54 2HB PRO 54 -8.087 8.506 -8.440 336 HG2 PRO 54 1HG PRO 54 -10.626 8.980 -9.057 337 HG3 PRO 54 2HG PRO 54 -9.950 7.347 -9.196 338 HD2 PRO 54 1HD PRO 54 -11.751 8.485 -7.098 339 HD3 PRO 54 2HD PRO 54 -11.738 6.863 -7.823 340 H GLU 55 H GLU 55 -10.114 9.091 -4.959 341 HA GLU 55 HA GLU 55 -8.014 10.521 -3.755 342 HB2 GLU 55 1HB GLU 55 -10.762 9.931 -2.651 343 HB3 GLU 55 2HB GLU 55 -9.690 11.225 -2.135 344 HG2 GLU 55 1HG GLU 55 -9.870 12.278 -4.303 345 HG3 GLU 55 2HG GLU 55 -10.880 10.954 -4.883 346 H LEU 56 H LEU 56 -9.401 7.408 -3.145 347 HA LEU 56 HA LEU 56 -8.191 7.158 -0.537 348 HB2 LEU 56 1HB LEU 56 -9.652 5.161 -2.261 349 HB3 LEU 56 2HB LEU 56 -9.051 4.824 -0.646 350 HG LEU 56 HG LEU 56 -11.176 6.855 -1.345 351 HD11 LEU 56 1HD1 LEU 56 -11.957 4.564 -1.587 352 HD12 LEU 56 2HD1 LEU 56 -12.689 5.334 -0.179 353 HD13 LEU 56 3HD1 LEU 56 -11.371 4.181 0.031 354 HD21 LEU 56 3HD2 LEU 56 -11.476 7.009 1.099 355 HD22 LEU 56 1HD2 LEU 56 -9.894 7.584 0.572 356 HD23 LEU 56 2HD2 LEU 56 -10.053 5.993 1.316 357 H SER 57 H SER 57 -7.665 5.912 -3.832 358 HA SER 57 HA SER 57 -5.558 4.199 -3.339 359 HB2 SER 57 1HB SER 57 -5.798 6.025 -5.739 360 HB3 SER 57 2HB SER 57 -5.031 4.437 -5.672 361 HG SER 57 HG SER 57 -6.922 3.730 -6.265 362 H ALA 58 H ALA 58 -5.200 7.504 -4.562 363 HA ALA 58 HA ALA 58 -2.585 8.026 -4.131 364 HB1 ALA 58 3HB ALA 58 -4.154 9.648 -5.076 365 HB2 ALA 58 1HB ALA 58 -3.116 10.378 -3.853 366 HB3 ALA 58 2HB ALA 58 -4.787 9.971 -3.462 367 H LYS 59 H LYS 59 -5.022 7.942 -1.589 368 HA LYS 59 HA LYS 59 -3.238 8.917 0.447 369 HB2 LYS 59 1HB LYS 59 -5.600 9.409 0.603 370 HB3 LYS 59 2HB LYS 59 -5.994 7.697 0.612 371 HG2 LYS 59 1HG LYS 59 -4.903 7.440 2.771 372 HG3 LYS 59 2HG LYS 59 -4.447 9.145 2.754 373 HD2 LYS 59 1HD LYS 59 -6.800 9.786 2.747 374 HD3 LYS 59 2HD LYS 59 -7.276 8.086 2.716 375 HE2 LYS 59 1HE LYS 59 -6.214 7.743 4.885 376 HE3 LYS 59 2HE LYS 59 -5.700 9.428 4.910 377 HZ1 LYS 59 3HZ LYS 59 -7.989 10.115 4.968 378 HZ2 LYS 59 1HZ LYS 59 -7.704 9.025 6.224 379 HZ3 LYS 59 2HZ LYS 59 -8.526 8.519 4.841 380 H VAL 60 H VAL 60 -4.588 5.765 -0.433 381 HA VAL 60 HA VAL 60 -3.602 4.310 1.753 382 HB VAL 60 HB VAL 60 -5.340 3.525 0.058 383 HG11 VAL 60 1HG1 VAL 60 -4.047 3.854 -1.970 384 HG12 VAL 60 2HG1 VAL 60 -4.566 2.176 -1.812 385 HG13 VAL 60 3HG1 VAL 60 -2.899 2.622 -1.450 386 HG21 VAL 60 3HG2 VAL 60 -4.810 1.148 0.401 387 HG22 VAL 60 1HG2 VAL 60 -4.578 2.102 1.866 388 HG23 VAL 60 2HG2 VAL 60 -3.184 1.598 0.912 389 H VAL 61 H VAL 61 -1.892 5.530 -0.925 390 HA VAL 61 HA VAL 61 0.393 3.772 -0.292 391 HB VAL 61 HB VAL 61 -0.212 3.892 -2.714 392 HG11 VAL 61 1HG1 VAL 61 -0.974 6.185 -2.843 393 HG12 VAL 61 2HG1 VAL 61 0.326 5.906 -4.003 394 HG13 VAL 61 3HG1 VAL 61 0.655 6.769 -2.502 395 HG21 VAL 61 3HG2 VAL 61 2.076 3.296 -2.053 396 HG22 VAL 61 1HG2 VAL 61 2.526 4.999 -2.041 397 HG23 VAL 61 2HG2 VAL 61 2.085 4.214 -3.555 398 H GLU 62 H GLU 62 -0.794 6.956 -0.086 399 HA GLU 62 HA GLU 62 1.598 8.428 0.195 400 HB2 GLU 62 1HB GLU 62 -0.564 9.473 -0.270 401 HB3 GLU 62 2HB GLU 62 -1.154 8.981 1.308 402 HG2 GLU 62 1HG GLU 62 -0.552 11.332 1.270 403 HG3 GLU 62 2HG GLU 62 0.467 10.425 2.387 404 H LYS 63 H LYS 63 -0.708 7.497 2.758 405 HA LYS 63 HA LYS 63 1.228 8.063 4.784 406 HB2 LYS 63 1HB LYS 63 -1.479 6.735 4.949 407 HB3 LYS 63 2HB LYS 63 -0.486 7.116 6.348 408 HG2 LYS 63 1HG LYS 63 -1.606 9.103 4.375 409 HG3 LYS 63 2HG LYS 63 -2.198 8.808 6.012 410 HD2 LYS 63 1HD LYS 63 -0.085 9.573 6.944 411 HD3 LYS 63 2HD LYS 63 0.579 9.786 5.326 412 HE2 LYS 63 1HE LYS 63 -0.104 11.923 6.241 413 HE3 LYS 63 2HE LYS 63 -1.114 11.497 4.863 414 HZ1 LYS 63 3HZ LYS 63 -1.878 11.120 7.708 415 HZ2 LYS 63 1HZ LYS 63 -2.860 10.824 6.360 416 HZ3 LYS 63 2HZ LYS 63 -2.385 12.399 6.732 417 H LEU 64 H LEU 64 0.326 5.328 2.978 418 HA LEU 64 HA LEU 64 1.246 3.196 4.509 419 HB2 LEU 64 1HB LEU 64 0.093 2.975 2.379 420 HB3 LEU 64 2HB LEU 64 1.486 3.637 1.536 421 HG LEU 64 HG LEU 64 2.733 1.603 2.533 422 HD11 LEU 64 1HD1 LEU 64 1.032 0.904 4.074 423 HD12 LEU 64 2HD1 LEU 64 1.274 -0.342 2.848 424 HD13 LEU 64 3HD1 LEU 64 -0.127 0.724 2.760 425 HD21 LEU 64 3HD2 LEU 64 0.671 1.297 0.355 426 HD22 LEU 64 1HD2 LEU 64 2.051 0.231 0.615 427 HD23 LEU 64 2HD2 LEU 64 2.311 1.914 0.160 428 H ASN 65 H ASN 65 3.037 5.059 2.071 429 HA ASN 65 HA ASN 65 5.566 3.988 2.502 430 HB2 ASN 65 1HB ASN 65 5.174 5.282 0.572 431 HB3 ASN 65 2HB ASN 65 4.674 6.690 1.503 432 HD21 ASN 65 2HD2 ASN 65 6.146 8.112 0.767 433 HD22 ASN 65 1HD2 ASN 65 7.851 7.964 0.992 434 H GLN 66 H GLN 66 3.917 6.637 4.048 435 HA GLN 66 HA GLN 66 6.101 7.613 5.544 436 HB2 GLN 66 1HB GLN 66 3.256 8.096 5.426 437 HB3 GLN 66 2HB GLN 66 3.808 8.081 7.094 438 HG2 GLN 66 1HG GLN 66 3.835 10.329 6.138 439 HG3 GLN 66 2HG GLN 66 5.444 9.792 6.611 440 HE21 GLN 66 2HE2 GLN 66 3.763 8.803 3.667 441 HE22 GLN 66 1HE2 GLN 66 4.848 9.587 2.580 442 H VAL 67 H VAL 67 3.499 5.387 6.473 443 HA VAL 67 HA VAL 67 4.465 4.685 9.003 444 HB VAL 67 HB VAL 67 2.936 2.938 7.059 445 HG11 VAL 67 1HG1 VAL 67 3.268 2.646 10.041 446 HG12 VAL 67 2HG1 VAL 67 3.988 1.605 8.813 447 HG13 VAL 67 3HG1 VAL 67 2.237 1.649 9.014 448 HG21 VAL 67 3HG2 VAL 67 1.960 4.696 9.308 449 HG22 VAL 67 1HG2 VAL 67 0.955 3.641 8.317 450 HG23 VAL 67 2HG2 VAL 67 1.775 5.020 7.584 451 H CYS 68 H CYS 68 5.193 3.286 5.855 452 HA CYS 68 HA CYS 68 6.964 1.300 6.989 453 HB2 CYS 68 1HB CYS 68 6.576 2.016 4.094 454 HB3 CYS 68 2HB CYS 68 7.276 0.531 4.729 455 H ALA 69 H ALA 69 7.278 4.495 6.469 456 HA ALA 69 HA ALA 69 10.107 4.426 5.722 457 HB1 ALA 69 3HB ALA 69 10.000 6.878 5.823 458 HB2 ALA 69 1HB ALA 69 8.345 6.785 6.425 459 HB3 ALA 69 2HB ALA 69 8.721 6.238 4.792 460 H LYS 70 H LYS 70 8.016 4.544 8.395 461 HA LYS 70 HA LYS 70 9.986 5.400 10.316 462 HB2 LYS 70 1HB LYS 70 7.274 4.113 10.730 463 HB3 LYS 70 2HB LYS 70 8.244 4.902 11.965 464 HG2 LYS 70 1HG LYS 70 7.957 7.040 10.899 465 HG3 LYS 70 2HG LYS 70 7.134 6.288 9.534 466 HD2 LYS 70 1HD LYS 70 5.520 7.314 11.023 467 HD3 LYS 70 2HD LYS 70 5.333 5.562 11.049 468 HE2 LYS 70 1HE LYS 70 6.573 5.448 13.144 469 HE3 LYS 70 2HE LYS 70 6.824 7.193 13.104 470 HZ1 LYS 70 3HZ LYS 70 4.993 6.519 14.566 471 HZ2 LYS 70 1HZ LYS 70 4.165 5.875 13.245 472 HZ3 LYS 70 2HZ LYS 70 4.468 7.536 13.327 473 H ASP 71 H ASP 71 8.643 2.439 9.001 474 HA ASP 71 HA ASP 71 10.707 0.890 10.348 475 HB2 ASP 71 1HB ASP 71 7.763 0.149 10.285 476 HB3 ASP 71 2HB ASP 71 9.055 -0.939 10.770 477 HA PRO 72 HA PRO 72 10.625 0.235 5.793 478 HB2 PRO 72 1HB PRO 72 13.361 -0.730 6.398 479 HB3 PRO 72 2HB PRO 72 12.823 0.454 5.202 480 HG2 PRO 72 1HG PRO 72 14.096 1.236 7.405 481 HG3 PRO 72 2HG PRO 72 12.743 2.180 6.751 482 HD2 PRO 72 1HD PRO 72 12.780 0.270 9.058 483 HD3 PRO 72 2HD PRO 72 11.996 1.863 8.926 484 H GLN 73 H GLN 73 11.319 -1.962 8.420 485 HA GLN 73 HA GLN 73 11.594 -4.303 6.825 486 HB2 GLN 73 1HB GLN 73 10.918 -4.004 9.758 487 HB3 GLN 73 2HB GLN 73 11.327 -5.519 8.970 488 HG2 GLN 73 1HG GLN 73 13.270 -4.786 10.089 489 HG3 GLN 73 2HG GLN 73 13.539 -4.493 8.374 490 HE21 GLN 73 2HE2 GLN 73 15.015 -2.913 8.654 491 HE22 GLN 73 1HE2 GLN 73 14.668 -1.352 9.311 492 H MET 74 H MET 74 8.954 -2.433 7.689 493 HA MET 74 HA MET 74 7.008 -4.541 7.810 494 HB2 MET 74 1HB MET 74 6.696 -1.554 7.532 495 HB3 MET 74 2HB MET 74 5.340 -2.667 7.625 496 HG2 MET 74 1HG MET 74 6.124 -3.409 9.832 497 HG3 MET 74 2HG MET 74 7.443 -2.245 9.737 498 HE1 MET 74 3HE MET 74 3.562 -2.742 9.937 499 HE2 MET 74 1HE MET 74 3.710 -1.735 8.498 500 HE3 MET 74 2HE MET 74 2.972 -1.080 9.959 501 H LEU 75 H LEU 75 6.541 -5.730 6.120 502 HA LEU 75 HA LEU 75 6.880 -4.952 3.413 503 HB2 LEU 75 1HB LEU 75 5.145 -7.150 4.576 504 HB3 LEU 75 2HB LEU 75 5.517 -6.967 2.878 505 HG LEU 75 HG LEU 75 6.904 -8.696 3.598 506 HD11 LEU 75 1HD1 LEU 75 8.095 -6.998 2.298 507 HD12 LEU 75 2HD1 LEU 75 9.150 -7.897 3.388 508 HD13 LEU 75 3HD1 LEU 75 8.645 -6.261 3.805 509 HD21 LEU 75 3HD2 LEU 75 8.262 -8.678 5.608 510 HD22 LEU 75 1HD2 LEU 75 6.566 -8.413 6.007 511 HD23 LEU 75 2HD2 LEU 75 7.695 -7.057 6.001 512 H LEU 76 H LEU 76 5.364 -4.242 1.897 513 HA LEU 76 HA LEU 76 3.373 -2.558 2.957 514 HB2 LEU 76 1HB LEU 76 2.668 -2.176 0.604 515 HB3 LEU 76 2HB LEU 76 4.368 -1.903 0.925 516 HG LEU 76 HG LEU 76 4.755 -4.239 -0.075 517 HD11 LEU 76 1HD1 LEU 76 3.078 -5.006 -1.664 518 HD12 LEU 76 2HD1 LEU 76 1.990 -3.716 -1.155 519 HD13 LEU 76 3HD1 LEU 76 2.431 -4.993 -0.023 520 HD21 LEU 76 3HD2 LEU 76 4.741 -3.337 -2.354 521 HD22 LEU 76 1HD2 LEU 76 5.391 -2.182 -1.191 522 HD23 LEU 76 2HD2 LEU 76 3.750 -1.985 -1.805 523 H ILE 77 H ILE 77 3.315 -5.844 2.094 524 HA ILE 77 HA ILE 77 0.663 -6.296 1.435 525 HB ILE 77 HB ILE 77 2.436 -8.064 3.130 526 HG12 ILE 77 1HG1 ILE 77 3.510 -7.501 1.005 527 HG13 ILE 77 2HG1 ILE 77 3.014 -9.186 1.014 528 HG21 ILE 77 1HG2 ILE 77 0.089 -8.713 3.243 529 HG22 ILE 77 2HG2 ILE 77 1.035 -9.906 2.356 530 HG23 ILE 77 3HG2 ILE 77 0.009 -8.766 1.481 531 HD11 ILE 77 3HD1 ILE 77 1.581 -6.923 -0.370 532 HD12 ILE 77 1HD1 ILE 77 1.063 -8.606 -0.354 533 HD13 ILE 77 2HD1 ILE 77 2.575 -8.156 -1.139 534 H THR 78 H THR 78 2.153 -6.225 4.658 535 HA THR 78 HA THR 78 -0.449 -6.517 5.896 536 HB THR 78 HB THR 78 1.428 -7.659 6.963 537 HG1 THR 78 HG1 THR 78 -0.360 -6.475 8.201 538 HG21 THR 78 3HG2 THR 78 2.574 -4.899 7.438 539 HG22 THR 78 1HG2 THR 78 3.236 -6.119 6.349 540 HG23 THR 78 2HG2 THR 78 3.220 -6.406 8.089 541 H ALA 79 H ALA 79 1.821 -3.983 5.196 542 HA ALA 79 HA ALA 79 0.842 -2.037 6.940 543 HB1 ALA 79 3HB ALA 79 2.983 -1.873 5.764 544 HB2 ALA 79 1HB ALA 79 1.991 -0.431 5.552 545 HB3 ALA 79 2HB ALA 79 2.116 -1.614 4.251 546 H ILE 80 H ILE 80 -0.202 -2.919 3.652 547 HA ILE 80 HA ILE 80 -2.045 -0.824 3.248 548 HB ILE 80 HB ILE 80 -2.256 -3.690 2.264 549 HG12 ILE 80 1HG1 ILE 80 -0.153 -2.375 1.632 550 HG13 ILE 80 2HG1 ILE 80 -1.086 -3.058 0.307 551 HG21 ILE 80 1HG2 ILE 80 -3.572 -2.595 0.403 552 HG22 ILE 80 2HG2 ILE 80 -3.691 -1.181 1.446 553 HG23 ILE 80 3HG2 ILE 80 -4.378 -2.722 1.967 554 HD11 ILE 80 3HD1 ILE 80 -2.027 -0.913 -0.202 555 HD12 ILE 80 1HD1 ILE 80 -0.272 -0.785 -0.131 556 HD13 ILE 80 2HD1 ILE 80 -1.252 -0.194 1.214 557 H ASP 81 H ASP 81 -2.373 -3.984 4.782 558 HA ASP 81 HA ASP 81 -5.130 -3.871 5.351 559 HB2 ASP 81 1HB ASP 81 -3.752 -5.936 5.480 560 HB3 ASP 81 2HB ASP 81 -2.945 -5.286 6.899 561 H ASP 82 H ASP 82 -2.273 -2.819 7.113 562 HA ASP 82 HA ASP 82 -3.556 -1.991 9.472 563 HB2 ASP 82 1HB ASP 82 -1.158 -2.245 9.449 564 HB3 ASP 82 2HB ASP 82 -0.993 -1.014 8.200 565 H THR 83 H THR 83 -3.208 -0.408 6.323 566 HA THR 83 HA THR 83 -3.831 2.197 7.169 567 HB THR 83 HB THR 83 -4.448 0.982 4.467 568 HG1 THR 83 HG1 THR 83 -2.005 1.780 5.640 569 HG21 THR 83 3HG2 THR 83 -3.747 3.799 5.319 570 HG22 THR 83 1HG2 THR 83 -5.354 3.231 4.862 571 HG23 THR 83 2HG2 THR 83 -4.058 3.271 3.666 572 H MET 84 H MET 84 -5.823 -0.514 5.982 573 HA MET 84 HA MET 84 -8.229 1.036 6.039 574 HB2 MET 84 1HB MET 84 -9.425 -0.948 5.463 575 HB3 MET 84 2HB MET 84 -7.919 -0.961 4.565 576 HG2 MET 84 1HG MET 84 -8.074 -3.145 5.244 577 HG3 MET 84 2HG MET 84 -7.084 -2.457 6.528 578 HE1 MET 84 3HE MET 84 -8.644 -5.234 6.744 579 HE2 MET 84 1HE MET 84 -9.295 -5.125 8.381 580 HE3 MET 84 2HE MET 84 -7.651 -4.580 8.049 581 H ARG 85 H ARG 85 -6.576 -1.011 8.316 582 HA ARG 85 HA ARG 85 -8.655 -1.202 10.216 583 HB2 ARG 85 1HB ARG 85 -5.651 -1.256 10.565 584 HB3 ARG 85 2HB ARG 85 -6.799 -1.639 11.839 585 HG2 ARG 85 1HG ARG 85 -7.634 -3.518 10.546 586 HG3 ARG 85 2HG ARG 85 -6.528 -3.113 9.232 587 HD2 ARG 85 1HD ARG 85 -5.684 -4.947 10.633 588 HD3 ARG 85 2HD ARG 85 -4.624 -3.542 10.658 589 HE ARG 85 HE ARG 85 -5.212 -3.141 12.875 590 HH11 ARG 85 1HH1 ARG 85 -6.977 -5.889 11.590 591 HH12 ARG 85 2HH1 ARG 85 -7.408 -6.508 13.141 592 HH21 ARG 85 1HH2 ARG 85 -5.774 -3.946 14.936 593 HH22 ARG 85 2HH2 ARG 85 -6.718 -5.390 15.071 594 H ALA 86 H ALA 86 -5.974 1.070 9.789 595 HA ALA 86 HA ALA 86 -6.559 2.769 11.924 596 HB1 ALA 86 3HB ALA 86 -5.304 3.480 9.274 597 HB2 ALA 86 1HB ALA 86 -4.451 2.834 10.676 598 HB3 ALA 86 2HB ALA 86 -5.204 4.426 10.757 599 H ILE 87 H ILE 87 -7.844 2.619 8.674 600 HA ILE 87 HA ILE 87 -9.290 5.065 8.737 601 HB ILE 87 HB ILE 87 -9.740 2.566 7.085 602 HG12 ILE 87 1HG1 ILE 87 -8.530 5.247 6.369 603 HG13 ILE 87 2HG1 ILE 87 -7.624 3.770 6.669 604 HG21 ILE 87 1HG2 ILE 87 -11.047 5.271 6.791 605 HG22 ILE 87 2HG2 ILE 87 -11.844 3.774 7.274 606 HG23 ILE 87 3HG2 ILE 87 -11.186 3.938 5.645 607 HD11 ILE 87 3HD1 ILE 87 -9.589 4.223 4.436 608 HD12 ILE 87 1HD1 ILE 87 -8.701 2.729 4.735 609 HD13 ILE 87 2HD1 ILE 87 -7.830 4.199 4.295 610 H GLY 88 H GLY 88 -10.215 1.699 9.418 611 HA2 GLY 88 1HA GLY 88 -12.169 0.783 10.234 612 HA3 GLY 88 2HA GLY 88 -11.869 1.954 11.504 613 H LYS 89 H LYS 89 -13.316 1.835 8.218 614 HA LYS 89 HA LYS 89 -14.910 4.109 8.661 615 HB2 LYS 89 1HB LYS 89 -14.303 3.418 6.416 616 HB3 LYS 89 2HB LYS 89 -15.170 1.903 6.614 617 HG2 LYS 89 1HG LYS 89 -17.278 3.059 6.706 618 HG3 LYS 89 2HG LYS 89 -16.462 4.624 6.687 619 HD2 LYS 89 1HD LYS 89 -15.621 4.185 4.455 620 HD3 LYS 89 2HD LYS 89 -16.337 2.575 4.475 621 HE2 LYS 89 1HE LYS 89 -18.560 3.523 4.592 622 HE3 LYS 89 2HE LYS 89 -17.893 5.148 4.706 623 HZ1 LYS 89 3HZ LYS 89 -17.611 3.321 2.376 624 HZ2 LYS 89 1HZ LYS 89 -16.971 4.885 2.491 625 HZ3 LYS 89 2HZ LYS 89 -18.641 4.658 2.471 626 H LYS 90 H LYS 90 -16.832 4.364 9.498 627 HA LYS 90 HA LYS 90 -18.686 2.195 9.801 628 HB2 LYS 90 1HB LYS 90 -18.927 2.774 12.310 629 HB3 LYS 90 2HB LYS 90 -17.594 1.740 11.824 630 HG2 LYS 90 1HG LYS 90 -16.099 3.713 11.869 631 HG3 LYS 90 2HG LYS 90 -17.450 4.678 12.467 632 HD2 LYS 90 1HD LYS 90 -17.580 3.368 14.469 633 HD3 LYS 90 2HD LYS 90 -16.400 2.211 13.846 634 HE2 LYS 90 1HE LYS 90 -15.842 5.124 14.403 635 HE3 LYS 90 2HE LYS 90 -15.439 3.798 15.490 636 HZ1 LYS 90 3HZ LYS 90 -13.538 4.457 14.171 637 HZ2 LYS 90 1HZ LYS 90 -14.376 4.165 12.735 638 HZ3 LYS 90 2HZ LYS 90 -13.994 2.885 13.770 Start of MODEL 13 1 H ASN 7 H ASN 7 1.976 -18.255 -8.653 2 HA ASN 7 HA ASN 7 4.272 -18.190 -10.398 3 HB2 ASN 7 1HB ASN 7 4.290 -15.789 -9.933 4 HB3 ASN 7 2HB ASN 7 2.661 -16.312 -10.345 5 HD21 ASN 7 2HD2 ASN 7 3.188 -13.941 -9.025 6 HD22 ASN 7 1HD2 ASN 7 2.539 -14.041 -7.430 7 H GLY 8 H GLY 8 3.656 -18.955 -7.208 8 HA2 GLY 8 1HA GLY 8 5.325 -19.859 -5.800 9 HA3 GLY 8 2HA GLY 8 6.519 -18.845 -6.600 10 H LEU 9 H LEU 9 7.013 -16.928 -5.750 11 HA LEU 9 HA LEU 9 5.313 -15.851 -3.640 12 HB2 LEU 9 1HB LEU 9 7.150 -17.129 -2.602 13 HB3 LEU 9 2HB LEU 9 8.313 -16.165 -3.491 14 HG LEU 9 HG LEU 9 7.492 -14.149 -2.277 15 HD11 LEU 9 1HD1 LEU 9 6.152 -14.461 -0.265 16 HD12 LEU 9 2HD1 LEU 9 5.958 -16.170 -0.653 17 HD13 LEU 9 3HD1 LEU 9 5.264 -14.942 -1.709 18 HD21 LEU 9 3HD2 LEU 9 9.494 -15.323 -1.546 19 HD22 LEU 9 1HD2 LEU 9 8.512 -16.412 -0.567 20 HD23 LEU 9 2HD2 LEU 9 8.595 -14.697 -0.162 21 HA PRO 10 HA PRO 10 5.968 -12.425 -6.510 22 HB2 PRO 10 1HB PRO 10 4.305 -11.050 -4.489 23 HB3 PRO 10 2HB PRO 10 4.061 -11.199 -6.230 24 HG2 PRO 10 1HG PRO 10 2.555 -12.559 -4.474 25 HG3 PRO 10 2HG PRO 10 3.011 -13.240 -6.044 26 HD2 PRO 10 1HD PRO 10 4.092 -13.837 -3.332 27 HD3 PRO 10 2HD PRO 10 3.842 -14.917 -4.719 28 H SER 11 H SER 11 7.510 -10.865 -6.450 29 HA SER 11 HA SER 11 9.128 -10.465 -4.163 30 HB2 SER 11 1HB SER 11 8.913 -8.698 -6.615 31 HB3 SER 11 2HB SER 11 10.275 -8.793 -5.500 32 HG SER 11 HG SER 11 10.860 -10.101 -7.123 33 H GLU 12 H GLU 12 6.199 -9.140 -5.198 34 HA GLU 12 HA GLU 12 6.193 -6.583 -4.049 35 HB2 GLU 12 1HB GLU 12 3.831 -8.455 -4.316 36 HB3 GLU 12 2HB GLU 12 3.799 -6.697 -4.291 37 HG2 GLU 12 1HG GLU 12 4.773 -6.551 -6.447 38 HG3 GLU 12 2HG GLU 12 5.199 -8.260 -6.448 39 H THR 13 H THR 13 6.111 -9.715 -2.643 40 HA THR 13 HA THR 13 4.836 -8.890 -0.180 41 HB THR 13 HB THR 13 5.075 -11.178 0.553 42 HG1 THR 13 HG1 THR 13 6.587 -11.743 -1.803 43 HG21 THR 13 3HG2 THR 13 4.418 -11.090 -2.396 44 HG22 THR 13 1HG2 THR 13 3.288 -10.817 -1.069 45 HG23 THR 13 2HG2 THR 13 4.009 -12.413 -1.308 46 H TYR 14 H TYR 14 7.948 -8.753 -1.462 47 HA TYR 14 HA TYR 14 9.205 -8.879 1.184 48 HB2 TYR 14 1HB TYR 14 10.338 -10.401 -0.194 49 HB3 TYR 14 2HB TYR 14 10.251 -9.344 -1.599 50 HD1 TYR 14 HD1 TYR 14 11.886 -9.722 1.724 51 HD2 TYR 14 HD2 TYR 14 12.033 -7.914 -2.122 52 HE1 TYR 14 HE1 TYR 14 14.135 -8.866 2.216 53 HE2 TYR 14 HE2 TYR 14 14.276 -7.056 -1.645 54 HH TYR 14 HH TYR 14 15.651 -6.503 0.289 55 H ILE 15 H ILE 15 8.089 -6.589 -1.034 56 HA ILE 15 HA ILE 15 10.348 -4.812 -0.676 57 HB ILE 15 HB ILE 15 9.238 -5.060 -2.916 58 HG12 ILE 15 1HG1 ILE 15 9.158 -2.617 -3.406 59 HG13 ILE 15 2HG1 ILE 15 9.234 -2.308 -1.674 60 HG21 ILE 15 1HG2 ILE 15 7.116 -3.912 -3.324 61 HG22 ILE 15 2HG2 ILE 15 6.957 -3.602 -1.595 62 HG23 ILE 15 3HG2 ILE 15 6.933 -5.259 -2.200 63 HD11 ILE 15 3HD1 ILE 15 11.402 -2.061 -2.772 64 HD12 ILE 15 1HD1 ILE 15 11.334 -3.750 -3.272 65 HD13 ILE 15 2HD1 ILE 15 11.414 -3.338 -1.556 66 H THR 16 H THR 16 10.171 -2.793 0.367 67 HA THR 16 HA THR 16 8.034 -2.687 2.359 68 HB THR 16 HB THR 16 9.413 -0.919 3.427 69 HG1 THR 16 HG1 THR 16 11.565 -1.534 1.714 70 HG21 THR 16 3HG2 THR 16 9.747 -3.225 4.104 71 HG22 THR 16 1HG2 THR 16 11.285 -2.366 4.113 72 HG23 THR 16 2HG2 THR 16 10.901 -3.470 2.790 73 H CYS 17 H CYS 17 7.026 -0.589 2.830 74 HA CYS 17 HA CYS 17 6.016 0.640 0.479 75 HB2 CYS 17 1HB CYS 17 5.675 2.189 2.918 76 HB3 CYS 17 2HB CYS 17 4.468 1.447 1.871 77 H ALA 18 H ALA 18 8.703 1.283 2.546 78 HA ALA 18 HA ALA 18 9.097 4.003 1.843 79 HB1 ALA 18 3HB ALA 18 10.117 3.019 3.841 80 HB2 ALA 18 1HB ALA 18 11.345 3.695 2.773 81 HB3 ALA 18 2HB ALA 18 11.088 1.953 2.826 82 H GLU 19 H GLU 19 10.562 0.951 0.725 83 HA GLU 19 HA GLU 19 12.078 2.147 -1.336 84 HB2 GLU 19 1HB GLU 19 11.180 -0.698 -0.927 85 HB3 GLU 19 2HB GLU 19 12.344 -0.184 -2.140 86 HG2 GLU 19 1HG GLU 19 13.906 0.476 -0.483 87 HG3 GLU 19 2HG GLU 19 12.712 0.286 0.801 88 H ALA 20 H ALA 20 8.748 1.221 -1.118 89 HA ALA 20 HA ALA 20 8.213 0.882 -3.869 90 HB1 ALA 20 3HB ALA 20 5.868 1.270 -3.249 91 HB2 ALA 20 1HB ALA 20 6.383 1.825 -1.657 92 HB3 ALA 20 2HB ALA 20 6.651 0.149 -2.134 93 H ASN 21 H ASN 21 8.699 3.616 -1.836 94 HA ASN 21 HA ASN 21 7.557 5.571 -3.597 95 HB2 ASN 21 1HB ASN 21 7.766 6.091 -1.230 96 HB3 ASN 21 2HB ASN 21 9.507 5.845 -1.298 97 HD21 ASN 21 2HD2 ASN 21 10.816 7.461 -2.037 98 HD22 ASN 21 1HD2 ASN 21 10.227 9.042 -2.429 99 H GLU 22 H GLU 22 10.752 4.298 -2.923 100 HA GLU 22 HA GLU 22 12.214 5.881 -4.691 101 HB2 GLU 22 1HB GLU 22 12.717 2.996 -3.945 102 HB3 GLU 22 2HB GLU 22 13.894 4.088 -4.665 103 HG2 GLU 22 1HG GLU 22 12.685 4.206 -1.923 104 HG3 GLU 22 2HG GLU 22 14.384 4.028 -2.365 105 H MET 23 H MET 23 10.701 2.694 -5.220 106 HA MET 23 HA MET 23 11.116 2.457 -7.930 107 HB2 MET 23 1HB MET 23 10.096 0.654 -6.726 108 HB3 MET 23 2HB MET 23 8.743 1.664 -6.235 109 HG2 MET 23 1HG MET 23 8.079 1.828 -8.628 110 HG3 MET 23 2HG MET 23 9.347 0.668 -9.012 111 HE1 MET 23 3HE MET 23 8.101 -2.588 -7.333 112 HE2 MET 23 1HE MET 23 9.287 -1.433 -6.720 113 HE3 MET 23 2HE MET 23 9.266 -1.855 -8.435 114 H ALA 24 H ALA 24 8.330 3.916 -6.337 115 HA ALA 24 HA ALA 24 6.882 4.907 -8.425 116 HB1 ALA 24 3HB ALA 24 5.972 6.597 -6.953 117 HB2 ALA 24 1HB ALA 24 7.338 6.407 -5.854 118 HB3 ALA 24 2HB ALA 24 6.193 5.085 -6.073 119 H LYS 25 H LYS 25 9.842 6.250 -7.227 120 HA LYS 25 HA LYS 25 9.747 8.778 -8.469 121 HB2 LYS 25 1HB LYS 25 12.132 7.074 -7.742 122 HB3 LYS 25 2HB LYS 25 12.242 8.746 -8.276 123 HG2 LYS 25 1HG LYS 25 10.995 9.485 -6.349 124 HG3 LYS 25 2HG LYS 25 10.745 7.816 -5.838 125 HD2 LYS 25 1HD LYS 25 13.128 7.531 -5.497 126 HD3 LYS 25 2HD LYS 25 13.433 9.156 -6.109 127 HE2 LYS 25 1HE LYS 25 12.220 10.123 -4.272 128 HE3 LYS 25 2HE LYS 25 11.762 8.524 -3.688 129 HZ1 LYS 25 3HZ LYS 25 14.529 9.578 -3.839 130 HZ2 LYS 25 1HZ LYS 25 14.082 8.052 -3.252 131 HZ3 LYS 25 2HZ LYS 25 13.598 9.453 -2.439 132 H THR 26 H THR 26 10.529 5.659 -9.628 133 HA THR 26 HA THR 26 11.193 6.769 -12.254 134 HB THR 26 HB THR 26 11.985 4.435 -12.790 135 HG1 THR 26 HG1 THR 26 10.887 3.958 -10.350 136 HG21 THR 26 3HG2 THR 26 14.074 4.623 -11.513 137 HG22 THR 26 1HG2 THR 26 13.311 5.793 -10.439 138 HG23 THR 26 2HG2 THR 26 13.561 6.192 -12.138 139 H ASP 27 H ASP 27 8.968 4.772 -10.472 140 HA ASP 27 HA ASP 27 7.107 4.826 -12.711 141 HB2 ASP 27 1HB ASP 27 8.598 2.707 -12.561 142 HB3 ASP 27 2HB ASP 27 7.517 2.269 -11.257 143 H SER 28 H SER 28 5.847 6.126 -11.493 144 HA SER 28 HA SER 28 4.955 5.399 -8.832 145 HB2 SER 28 1HB SER 28 3.856 7.500 -10.709 146 HB3 SER 28 2HB SER 28 3.379 7.298 -9.028 147 HG SER 28 HG SER 28 6.113 7.547 -9.518 148 H ALA 29 H ALA 29 4.040 4.634 -12.036 149 HA ALA 29 HA ALA 29 1.306 4.219 -11.725 150 HB1 ALA 29 3HB ALA 29 1.442 2.961 -13.789 151 HB2 ALA 29 1HB ALA 29 3.196 2.866 -13.634 152 HB3 ALA 29 2HB ALA 29 2.416 4.427 -13.890 153 H GLN 30 H GLN 30 3.935 1.730 -11.729 154 HA GLN 30 HA GLN 30 2.069 -0.321 -11.125 155 HB2 GLN 30 1HB GLN 30 4.005 -1.782 -10.855 156 HB3 GLN 30 2HB GLN 30 4.108 -0.824 -12.324 157 HG2 GLN 30 1HG GLN 30 5.626 0.730 -11.120 158 HG3 GLN 30 2HG GLN 30 5.609 -0.392 -9.759 159 HE21 GLN 30 2HE2 GLN 30 7.773 -0.810 -9.914 160 HE22 GLN 30 1HE2 GLN 30 8.460 -1.751 -11.194 161 H VAL 31 H VAL 31 3.712 1.918 -9.130 162 HA VAL 31 HA VAL 31 3.695 0.370 -6.733 163 HB VAL 31 HB VAL 31 3.732 3.381 -7.076 164 HG11 VAL 31 1HG1 VAL 31 3.021 2.751 -4.839 165 HG12 VAL 31 2HG1 VAL 31 4.657 3.409 -4.792 166 HG13 VAL 31 3HG1 VAL 31 4.403 1.668 -4.684 167 HG21 VAL 31 3HG2 VAL 31 5.970 1.398 -6.731 168 HG22 VAL 31 1HG2 VAL 31 6.155 3.151 -6.678 169 HG23 VAL 31 2HG2 VAL 31 5.622 2.367 -8.163 170 H ALA 32 H ALA 32 1.568 2.681 -8.278 171 HA ALA 32 HA ALA 32 -0.363 2.677 -6.173 172 HB1 ALA 32 3HB ALA 32 -0.140 4.609 -7.625 173 HB2 ALA 32 1HB ALA 32 -1.758 3.926 -7.768 174 HB3 ALA 32 2HB ALA 32 -0.560 3.630 -9.027 175 H GLU 33 H GLU 33 0.322 0.755 -8.954 176 HA GLU 33 HA GLU 33 -2.248 -0.444 -9.197 177 HB2 GLU 33 1HB GLU 33 0.464 -1.375 -10.144 178 HB3 GLU 33 2HB GLU 33 -1.049 -2.172 -10.545 179 HG2 GLU 33 1HG GLU 33 -0.254 0.633 -11.289 180 HG3 GLU 33 2HG GLU 33 -0.323 -0.763 -12.362 181 H ILE 34 H ILE 34 0.793 -1.460 -7.630 182 HA ILE 34 HA ILE 34 -0.119 -3.992 -6.813 183 HB ILE 34 HB ILE 34 2.032 -2.250 -5.574 184 HG12 ILE 34 1HG1 ILE 34 2.264 -4.545 -7.537 185 HG13 ILE 34 2HG1 ILE 34 2.389 -2.842 -7.964 186 HG21 ILE 34 1HG2 ILE 34 2.897 -4.330 -4.593 187 HG22 ILE 34 2HG2 ILE 34 1.502 -5.203 -5.228 188 HG23 ILE 34 3HG2 ILE 34 1.276 -3.954 -4.003 189 HD11 ILE 34 3HD1 ILE 34 4.372 -2.633 -6.563 190 HD12 ILE 34 1HD1 ILE 34 4.578 -3.883 -7.790 191 HD13 ILE 34 2HD1 ILE 34 4.241 -4.335 -6.119 192 H VAL 35 H VAL 35 -0.098 -0.847 -5.209 193 HA VAL 35 HA VAL 35 -1.173 -1.856 -2.780 194 HB VAL 35 HB VAL 35 -1.539 0.461 -2.146 195 HG11 VAL 35 1HG1 VAL 35 1.114 0.046 -3.502 196 HG12 VAL 35 2HG1 VAL 35 0.683 -0.476 -1.874 197 HG13 VAL 35 3HG1 VAL 35 0.774 1.243 -2.255 198 HG21 VAL 35 3HG2 VAL 35 -2.322 1.406 -4.217 199 HG22 VAL 35 1HG2 VAL 35 -0.758 1.108 -4.976 200 HG23 VAL 35 2HG2 VAL 35 -0.896 2.295 -3.682 201 H ALA 36 H ALA 36 -2.580 -0.852 -5.778 202 HA ALA 36 HA ALA 36 -5.209 -0.456 -4.694 203 HB1 ALA 36 3HB ALA 36 -4.352 -0.761 -7.568 204 HB2 ALA 36 1HB ALA 36 -4.486 0.762 -6.690 205 HB3 ALA 36 2HB ALA 36 -5.927 -0.203 -7.005 206 H VAL 37 H VAL 37 -3.637 -2.982 -6.670 207 HA VAL 37 HA VAL 37 -5.771 -4.649 -7.119 208 HB VAL 37 HB VAL 37 -2.926 -5.495 -6.508 209 HG11 VAL 37 1HG1 VAL 37 -5.150 -7.070 -7.811 210 HG12 VAL 37 2HG1 VAL 37 -4.453 -7.382 -6.221 211 HG13 VAL 37 3HG1 VAL 37 -3.469 -7.586 -7.673 212 HG21 VAL 37 3HG2 VAL 37 -2.711 -5.629 -8.950 213 HG22 VAL 37 1HG2 VAL 37 -3.118 -3.996 -8.421 214 HG23 VAL 37 2HG2 VAL 37 -4.361 -5.033 -9.123 215 H MET 38 H MET 38 -3.483 -5.307 -4.399 216 HA MET 38 HA MET 38 -5.437 -6.951 -3.158 217 HB2 MET 38 1HB MET 38 -3.010 -7.354 -2.922 218 HB3 MET 38 2HB MET 38 -2.872 -5.866 -1.993 219 HG2 MET 38 1HG MET 38 -4.449 -6.814 -0.330 220 HG3 MET 38 2HG MET 38 -4.429 -8.328 -1.231 221 HE1 MET 38 3HE MET 38 -2.470 -5.836 1.003 222 HE2 MET 38 1HE MET 38 -1.445 -5.815 -0.432 223 HE3 MET 38 2HE MET 38 -0.852 -6.533 1.066 224 H GLY 39 H GLY 39 -4.263 -3.666 -2.621 225 HA2 GLY 39 1HA GLY 39 -5.349 -3.175 -0.116 226 HA3 GLY 39 2HA GLY 39 -5.091 -1.953 -1.347 227 H ASN 40 H ASN 40 -6.832 -2.267 -3.195 228 HA ASN 40 HA ASN 40 -9.258 -1.372 -2.137 229 HB2 ASN 40 1HB ASN 40 -9.843 -0.942 -4.289 230 HB3 ASN 40 2HB ASN 40 -8.193 -1.445 -4.643 231 HD21 ASN 40 2HD2 ASN 40 -7.832 -3.458 -5.561 232 HD22 ASN 40 1HD2 ASN 40 -9.095 -4.372 -6.315 233 H ALA 41 H ALA 41 -8.428 -4.622 -3.285 234 HA ALA 41 HA ALA 41 -11.004 -5.708 -2.848 235 HB1 ALA 41 3HB ALA 41 -9.925 -7.881 -3.126 236 HB2 ALA 41 1HB ALA 41 -8.340 -7.117 -2.994 237 HB3 ALA 41 2HB ALA 41 -9.388 -6.743 -4.363 238 H SER 42 H SER 42 -8.175 -5.362 -0.884 239 HA SER 42 HA SER 42 -9.065 -7.096 1.202 240 HB2 SER 42 1HB SER 42 -6.637 -6.311 0.622 241 HB3 SER 42 2HB SER 42 -7.022 -4.953 1.676 242 HG SER 42 HG SER 42 -6.565 -6.232 3.256 243 H VAL 43 H VAL 43 -8.834 -3.489 1.033 244 HA VAL 43 HA VAL 43 -10.136 -2.998 3.437 245 HB VAL 43 HB VAL 43 -10.761 -0.766 2.531 246 HG11 VAL 43 1HG1 VAL 43 -7.945 -1.670 1.971 247 HG12 VAL 43 2HG1 VAL 43 -8.583 -1.041 3.492 248 HG13 VAL 43 3HG1 VAL 43 -8.459 0.012 2.085 249 HG21 VAL 43 3HG2 VAL 43 -10.036 -0.127 0.272 250 HG22 VAL 43 1HG2 VAL 43 -11.281 -1.378 0.236 251 HG23 VAL 43 2HG2 VAL 43 -9.593 -1.805 -0.049 252 H ALA 44 H ALA 44 -11.550 -3.520 0.228 253 HA ALA 44 HA ALA 44 -14.229 -3.137 1.099 254 HB1 ALA 44 3HB ALA 44 -13.155 -4.496 -1.374 255 HB2 ALA 44 1HB ALA 44 -13.558 -2.786 -1.227 256 HB3 ALA 44 2HB ALA 44 -14.829 -4.004 -1.109 257 H SER 45 H SER 45 -12.033 -5.569 1.667 258 HA SER 45 HA SER 45 -13.936 -7.757 1.488 259 HB2 SER 45 1HB SER 45 -11.598 -8.176 0.847 260 HB3 SER 45 2HB SER 45 -11.076 -7.754 2.477 261 HG SER 45 HG SER 45 -12.621 -9.956 1.627 262 H ARG 46 H ARG 46 -12.245 -5.892 3.981 263 HA ARG 46 HA ARG 46 -13.563 -7.518 6.032 264 HB2 ARG 46 1HB ARG 46 -11.541 -5.301 6.350 265 HB3 ARG 46 2HB ARG 46 -12.122 -6.356 7.624 266 HG2 ARG 46 1HG ARG 46 -10.506 -7.212 5.224 267 HG3 ARG 46 2HG ARG 46 -9.893 -6.993 6.860 268 HD2 ARG 46 1HD ARG 46 -10.233 -9.257 6.864 269 HD3 ARG 46 2HD ARG 46 -11.805 -8.718 7.437 270 HE ARG 46 HE ARG 46 -11.693 -8.975 4.588 271 HH11 ARG 46 1HH1 ARG 46 -12.139 -10.746 7.571 272 HH12 ARG 46 2HH1 ARG 46 -13.043 -12.022 6.831 273 HH21 ARG 46 1HH2 ARG 46 -12.855 -10.666 3.594 274 HH22 ARG 46 2HH2 ARG 46 -13.449 -11.983 4.554 275 H ASP 47 H ASP 47 -13.703 -4.368 4.602 276 HA ASP 47 HA ASP 47 -15.681 -3.562 6.597 277 HB2 ASP 47 1HB ASP 47 -13.744 -2.067 6.166 278 HB3 ASP 47 2HB ASP 47 -14.316 -1.862 4.512 279 H LEU 48 H LEU 48 -15.161 -3.656 3.097 280 HA LEU 48 HA LEU 48 -16.540 -4.111 1.361 281 HB2 LEU 48 1HB LEU 48 -17.621 -5.757 2.887 282 HB3 LEU 48 2HB LEU 48 -18.740 -4.511 3.392 283 HG LEU 48 HG LEU 48 -19.585 -4.379 1.054 284 HD11 LEU 48 1HD1 LEU 48 -17.651 -5.189 -0.139 285 HD12 LEU 48 2HD1 LEU 48 -19.035 -6.228 -0.478 286 HD13 LEU 48 3HD1 LEU 48 -17.786 -6.761 0.647 287 HD21 LEU 48 3HD2 LEU 48 -20.737 -5.726 2.734 288 HD22 LEU 48 1HD2 LEU 48 -19.716 -7.107 2.335 289 HD23 LEU 48 2HD2 LEU 48 -20.846 -6.471 1.139 290 H LYS 49 H LYS 49 -16.942 -1.558 3.448 291 HA LYS 49 HA LYS 49 -18.958 -0.256 1.768 292 HB2 LYS 49 1HB LYS 49 -17.755 0.781 4.331 293 HB3 LYS 49 2HB LYS 49 -19.238 1.312 3.547 294 HG2 LYS 49 1HG LYS 49 -20.361 -0.691 4.103 295 HG3 LYS 49 2HG LYS 49 -18.862 -1.470 4.606 296 HD2 LYS 49 1HD LYS 49 -18.735 0.435 6.343 297 HD3 LYS 49 2HD LYS 49 -20.454 0.648 5.994 298 HE2 LYS 49 1HE LYS 49 -19.124 -1.898 6.904 299 HE3 LYS 49 2HE LYS 49 -20.116 -0.837 7.907 300 HZ1 LYS 49 3HZ LYS 49 -21.065 -2.281 5.490 301 HZ2 LYS 49 1HZ LYS 49 -22.013 -1.335 6.520 302 HZ3 LYS 49 2HZ LYS 49 -21.333 -2.780 7.077 303 H ILE 50 H ILE 50 -15.622 -0.172 2.719 304 HA ILE 50 HA ILE 50 -14.906 2.335 1.679 305 HB ILE 50 HB ILE 50 -13.206 -0.179 1.907 306 HG12 ILE 50 1HG1 ILE 50 -13.491 2.181 3.790 307 HG13 ILE 50 2HG1 ILE 50 -14.217 0.598 4.041 308 HG21 ILE 50 1HG2 ILE 50 -12.397 2.720 1.588 309 HG22 ILE 50 2HG2 ILE 50 -12.219 1.455 0.374 310 HG23 ILE 50 3HG2 ILE 50 -11.294 1.374 1.874 311 HD11 ILE 50 3HD1 ILE 50 -11.264 1.166 3.890 312 HD12 ILE 50 1HD1 ILE 50 -12.008 -0.404 4.195 313 HD13 ILE 50 2HD1 ILE 50 -12.193 0.903 5.366 314 H GLU 51 H GLU 51 -14.582 3.028 -0.334 315 HA GLU 51 HA GLU 51 -15.380 1.298 -2.503 316 HB2 GLU 51 1HB GLU 51 -14.678 4.229 -2.488 317 HB3 GLU 51 2HB GLU 51 -15.404 3.350 -3.828 318 HG2 GLU 51 1HG GLU 51 -17.419 3.021 -2.656 319 HG3 GLU 51 2HG GLU 51 -16.699 3.528 -1.129 320 H GLN 52 H GLN 52 -14.200 1.253 -4.517 321 HA GLN 52 HA GLN 52 -11.372 0.812 -4.035 322 HB2 GLN 52 1HB GLN 52 -11.392 -0.263 -6.238 323 HB3 GLN 52 2HB GLN 52 -12.625 -0.924 -5.175 324 HG2 GLN 52 1HG GLN 52 -14.348 0.268 -6.302 325 HG3 GLN 52 2HG GLN 52 -13.177 1.184 -7.245 326 HE21 GLN 52 2HE2 GLN 52 -11.485 -1.152 -7.721 327 HE22 GLN 52 1HE2 GLN 52 -12.307 -2.109 -8.901 328 H SER 53 H SER 53 -13.232 3.385 -5.074 329 HA SER 53 HA SER 53 -12.168 4.521 -7.244 330 HB2 SER 53 1HB SER 53 -12.747 5.949 -4.642 331 HB3 SER 53 2HB SER 53 -12.677 6.697 -6.239 332 HG SER 53 HG SER 53 -14.438 5.470 -6.867 333 HA PRO 54 HA PRO 54 -7.782 5.030 -6.984 334 HB2 PRO 54 1HB PRO 54 -8.361 7.682 -8.226 335 HB3 PRO 54 2HB PRO 54 -7.215 6.434 -8.729 336 HG2 PRO 54 1HG PRO 54 -9.498 6.740 -10.034 337 HG3 PRO 54 2HG PRO 54 -8.873 5.117 -9.689 338 HD2 PRO 54 1HD PRO 54 -11.103 6.608 -8.380 339 HD3 PRO 54 2HD PRO 54 -10.953 4.874 -8.735 340 H GLU 55 H GLU 55 -9.895 7.587 -5.838 341 HA GLU 55 HA GLU 55 -7.997 9.204 -4.566 342 HB2 GLU 55 1HB GLU 55 -10.893 8.717 -3.852 343 HB3 GLU 55 2HB GLU 55 -9.904 10.009 -3.186 344 HG2 GLU 55 1HG GLU 55 -9.610 10.938 -5.423 345 HG3 GLU 55 2HG GLU 55 -10.611 9.651 -6.089 346 H LEU 56 H LEU 56 -9.506 6.205 -3.571 347 HA LEU 56 HA LEU 56 -8.605 6.376 -0.855 348 HB2 LEU 56 1HB LEU 56 -9.682 4.092 -2.507 349 HB3 LEU 56 2HB LEU 56 -9.144 3.881 -0.852 350 HG LEU 56 HG LEU 56 -11.518 4.036 -0.828 351 HD11 LEU 56 1HD1 LEU 56 -11.919 5.950 0.594 352 HD12 LEU 56 2HD1 LEU 56 -10.408 6.685 0.062 353 HD13 LEU 56 3HD1 LEU 56 -10.381 5.183 0.989 354 HD21 LEU 56 3HD2 LEU 56 -12.757 5.949 -1.727 355 HD22 LEU 56 1HD2 LEU 56 -11.877 5.086 -2.988 356 HD23 LEU 56 2HD2 LEU 56 -11.256 6.616 -2.367 357 H SER 57 H SER 57 -7.449 4.983 -3.838 358 HA SER 57 HA SER 57 -5.292 3.509 -2.771 359 HB2 SER 57 1HB SER 57 -6.181 3.127 -5.041 360 HB3 SER 57 2HB SER 57 -5.613 4.721 -5.532 361 HG SER 57 HG SER 57 -3.801 3.798 -5.965 362 H ALA 58 H ALA 58 -5.338 6.625 -4.453 363 HA ALA 58 HA ALA 58 -2.816 7.550 -4.118 364 HB1 ALA 58 3HB ALA 58 -3.680 9.820 -4.150 365 HB2 ALA 58 1HB ALA 58 -5.282 9.235 -3.699 366 HB3 ALA 58 2HB ALA 58 -4.590 8.797 -5.262 367 H LYS 59 H LYS 59 -5.269 7.485 -1.578 368 HA LYS 59 HA LYS 59 -3.537 8.865 0.284 369 HB2 LYS 59 1HB LYS 59 -6.222 7.554 0.706 370 HB3 LYS 59 2HB LYS 59 -5.360 8.492 1.917 371 HG2 LYS 59 1HG LYS 59 -5.471 10.459 0.421 372 HG3 LYS 59 2HG LYS 59 -6.428 9.503 -0.711 373 HD2 LYS 59 1HD LYS 59 -7.187 10.170 2.136 374 HD3 LYS 59 2HD LYS 59 -7.855 10.916 0.687 375 HE2 LYS 59 1HE LYS 59 -8.729 8.728 -0.015 376 HE3 LYS 59 2HE LYS 59 -8.082 8.006 1.457 377 HZ1 LYS 59 3HZ LYS 59 -9.518 9.492 2.743 378 HZ2 LYS 59 1HZ LYS 59 -10.412 8.492 1.714 379 HZ3 LYS 59 2HZ LYS 59 -10.167 10.112 1.312 380 H VAL 60 H VAL 60 -4.687 5.556 -0.220 381 HA VAL 60 HA VAL 60 -3.618 4.464 2.148 382 HB VAL 60 HB VAL 60 -5.324 3.390 0.534 383 HG11 VAL 60 1HG1 VAL 60 -4.484 1.851 -1.114 384 HG12 VAL 60 2HG1 VAL 60 -2.822 2.273 -0.710 385 HG13 VAL 60 3HG1 VAL 60 -3.873 3.470 -1.461 386 HG21 VAL 60 3HG2 VAL 60 -3.130 1.718 1.755 387 HG22 VAL 60 1HG2 VAL 60 -4.714 1.119 1.265 388 HG23 VAL 60 2HG2 VAL 60 -4.585 2.301 2.566 389 H VAL 61 H VAL 61 -2.055 5.416 -0.735 390 HA VAL 61 HA VAL 61 0.352 3.863 -0.014 391 HB VAL 61 HB VAL 61 -0.444 3.715 -2.392 392 HG11 VAL 61 1HG1 VAL 61 0.444 6.589 -2.535 393 HG12 VAL 61 2HG1 VAL 61 -1.206 5.988 -2.711 394 HG13 VAL 61 3HG1 VAL 61 0.016 5.578 -3.916 395 HG21 VAL 61 3HG2 VAL 61 1.795 3.953 -3.406 396 HG22 VAL 61 1HG2 VAL 61 1.865 3.158 -1.834 397 HG23 VAL 61 2HG2 VAL 61 2.331 4.848 -1.987 398 H GLU 62 H GLU 62 -1.011 6.844 0.319 399 HA GLU 62 HA GLU 62 1.412 8.431 0.164 400 HB2 GLU 62 1HB GLU 62 -0.918 9.270 -0.444 401 HB3 GLU 62 2HB GLU 62 -1.261 9.301 1.277 402 HG2 GLU 62 1HG GLU 62 1.102 10.780 0.201 403 HG3 GLU 62 2HG GLU 62 -0.515 11.465 0.053 404 H LYS 63 H LYS 63 -0.951 7.780 2.762 405 HA LYS 63 HA LYS 63 0.850 8.596 4.803 406 HB2 LYS 63 1HB LYS 63 -0.804 7.683 6.380 407 HB3 LYS 63 2HB LYS 63 -1.545 8.719 5.172 408 HG2 LYS 63 1HG LYS 63 -2.341 6.763 3.959 409 HG3 LYS 63 2HG LYS 63 -1.554 5.705 5.131 410 HD2 LYS 63 1HD LYS 63 -3.955 5.921 5.594 411 HD3 LYS 63 2HD LYS 63 -2.984 6.593 6.908 412 HE2 LYS 63 1HE LYS 63 -3.341 8.844 6.028 413 HE3 LYS 63 2HE LYS 63 -4.275 8.178 4.691 414 HZ1 LYS 63 3HZ LYS 63 -5.666 9.061 6.479 415 HZ2 LYS 63 1HZ LYS 63 -5.004 7.948 7.560 416 HZ3 LYS 63 2HZ LYS 63 -5.930 7.412 6.246 417 H LEU 64 H LEU 64 0.236 5.609 3.203 418 HA LEU 64 HA LEU 64 1.248 3.756 5.015 419 HB2 LEU 64 1HB LEU 64 0.095 3.157 2.968 420 HB3 LEU 64 2HB LEU 64 1.421 3.784 2.011 421 HG LEU 64 HG LEU 64 2.874 2.014 2.909 422 HD11 LEU 64 1HD1 LEU 64 0.350 1.117 4.268 423 HD12 LEU 64 2HD1 LEU 64 1.848 1.644 5.042 424 HD13 LEU 64 3HD1 LEU 64 1.811 0.146 4.110 425 HD21 LEU 64 3HD2 LEU 64 1.800 0.152 1.716 426 HD22 LEU 64 1HD2 LEU 64 1.719 1.662 0.808 427 HD23 LEU 64 2HD2 LEU 64 0.297 1.069 1.667 428 H ASN 65 H ASN 65 2.979 5.368 2.349 429 HA ASN 65 HA ASN 65 5.522 4.437 2.946 430 HB2 ASN 65 1HB ASN 65 5.082 5.486 0.843 431 HB3 ASN 65 2HB ASN 65 4.632 6.996 1.621 432 HD21 ASN 65 2HD2 ASN 65 7.288 4.880 0.802 433 HD22 ASN 65 1HD2 ASN 65 8.535 6.058 1.025 434 H GLN 66 H GLN 66 3.675 6.968 4.358 435 HA GLN 66 HA GLN 66 5.848 8.285 5.678 436 HB2 GLN 66 1HB GLN 66 3.179 8.869 5.274 437 HB3 GLN 66 2HB GLN 66 3.240 8.507 6.992 438 HG2 GLN 66 1HG GLN 66 3.548 10.826 6.813 439 HG3 GLN 66 2HG GLN 66 5.142 10.158 7.147 440 HE21 GLN 66 2HE2 GLN 66 5.455 9.193 4.363 441 HE22 GLN 66 1HE2 GLN 66 5.790 10.591 3.419 442 H VAL 67 H VAL 67 3.386 5.963 6.710 443 HA VAL 67 HA VAL 67 4.362 5.579 9.319 444 HB VAL 67 HB VAL 67 2.990 3.463 7.649 445 HG11 VAL 67 1HG1 VAL 67 3.082 3.908 10.629 446 HG12 VAL 67 2HG1 VAL 67 3.924 2.642 9.737 447 HG13 VAL 67 3HG1 VAL 67 2.161 2.648 9.806 448 HG21 VAL 67 3HG2 VAL 67 1.731 5.631 9.326 449 HG22 VAL 67 1HG2 VAL 67 0.871 4.316 8.529 450 HG23 VAL 67 2HG2 VAL 67 1.700 5.540 7.567 451 H CYS 68 H CYS 68 5.043 3.804 6.305 452 HA CYS 68 HA CYS 68 6.884 2.009 7.528 453 HB2 CYS 68 1HB CYS 68 6.536 2.702 4.615 454 HB3 CYS 68 2HB CYS 68 7.378 1.295 5.254 455 H ALA 69 H ALA 69 7.170 5.248 6.826 456 HA ALA 69 HA ALA 69 10.018 5.163 6.203 457 HB1 ALA 69 3HB ALA 69 8.233 7.532 6.808 458 HB2 ALA 69 1HB ALA 69 8.645 6.942 5.199 459 HB3 ALA 69 2HB ALA 69 9.899 7.616 6.240 460 H LYS 70 H LYS 70 7.929 5.173 8.842 461 HA LYS 70 HA LYS 70 9.804 6.275 10.750 462 HB2 LYS 70 1HB LYS 70 7.113 4.953 11.144 463 HB3 LYS 70 2HB LYS 70 8.039 5.775 12.390 464 HG2 LYS 70 1HG LYS 70 7.718 7.881 11.374 465 HG3 LYS 70 2HG LYS 70 7.101 7.151 9.893 466 HD2 LYS 70 1HD LYS 70 5.255 8.074 11.154 467 HD3 LYS 70 2HD LYS 70 5.141 6.319 11.164 468 HE2 LYS 70 1HE LYS 70 6.506 7.747 13.415 469 HE3 LYS 70 2HE LYS 70 4.747 7.667 13.362 470 HZ1 LYS 70 3HZ LYS 70 6.618 5.360 13.427 471 HZ2 LYS 70 1HZ LYS 70 4.942 5.228 13.250 472 HZ3 LYS 70 2HZ LYS 70 5.593 5.864 14.667 473 H ASP 71 H ASP 71 8.745 3.188 9.513 474 HA ASP 71 HA ASP 71 10.751 1.862 11.141 475 HB2 ASP 71 1HB ASP 71 7.849 1.018 10.953 476 HB3 ASP 71 2HB ASP 71 9.129 -0.080 11.452 477 HA PRO 72 HA PRO 72 11.393 0.781 6.805 478 HB2 PRO 72 1HB PRO 72 13.831 -0.394 7.197 479 HB3 PRO 72 2HB PRO 72 13.596 1.351 7.053 480 HG2 PRO 72 1HG PRO 72 13.904 -0.324 9.514 481 HG3 PRO 72 2HG PRO 72 14.621 1.253 9.138 482 HD2 PRO 72 1HD PRO 72 12.480 0.999 10.748 483 HD3 PRO 72 2HD PRO 72 12.688 2.402 9.676 484 H GLN 73 H GLN 73 11.287 -1.361 9.541 485 HA GLN 73 HA GLN 73 11.607 -3.808 8.131 486 HB2 GLN 73 1HB GLN 73 10.198 -3.336 10.749 487 HB3 GLN 73 2HB GLN 73 10.865 -4.855 10.165 488 HG2 GLN 73 1HG GLN 73 13.080 -4.059 10.380 489 HG3 GLN 73 2HG GLN 73 12.518 -2.414 10.690 490 HE21 GLN 73 2HE2 GLN 73 13.437 -2.211 12.607 491 HE22 GLN 73 1HE2 GLN 73 12.989 -3.100 14.026 492 H MET 74 H MET 74 9.119 -1.591 8.106 493 HA MET 74 HA MET 74 6.921 -3.446 8.092 494 HB2 MET 74 1HB MET 74 7.056 -0.525 7.343 495 HB3 MET 74 2HB MET 74 5.577 -1.473 7.355 496 HG2 MET 74 1HG MET 74 5.901 -1.903 9.756 497 HG3 MET 74 2HG MET 74 7.337 -0.883 9.723 498 HE1 MET 74 3HE MET 74 3.460 -1.046 9.340 499 HE2 MET 74 1HE MET 74 3.916 -0.327 7.797 500 HE3 MET 74 2HE MET 74 3.036 0.629 8.988 501 H LEU 75 H LEU 75 6.906 -4.890 6.505 502 HA LEU 75 HA LEU 75 7.701 -4.282 3.818 503 HB2 LEU 75 1HB LEU 75 6.202 -6.669 4.910 504 HB3 LEU 75 2HB LEU 75 6.912 -6.554 3.312 505 HG LEU 75 HG LEU 75 8.457 -6.544 5.909 506 HD11 LEU 75 1HD1 LEU 75 9.220 -8.758 5.194 507 HD12 LEU 75 2HD1 LEU 75 8.116 -8.685 3.819 508 HD13 LEU 75 3HD1 LEU 75 7.477 -8.711 5.464 509 HD21 LEU 75 3HD2 LEU 75 10.426 -6.778 4.461 510 HD22 LEU 75 1HD2 LEU 75 9.582 -5.256 4.178 511 HD23 LEU 75 2HD2 LEU 75 9.397 -6.590 3.041 512 H LEU 76 H LEU 76 6.386 -4.075 2.024 513 HA LEU 76 HA LEU 76 4.140 -2.479 2.272 514 HB2 LEU 76 1HB LEU 76 5.574 -2.715 0.262 515 HB3 LEU 76 2HB LEU 76 4.836 -4.276 -0.047 516 HG LEU 76 HG LEU 76 2.633 -3.094 -0.272 517 HD11 LEU 76 1HD1 LEU 76 2.646 -0.699 -0.650 518 HD12 LEU 76 2HD1 LEU 76 4.373 -0.638 -0.304 519 HD13 LEU 76 3HD1 LEU 76 3.235 -1.073 0.969 520 HD21 LEU 76 3HD2 LEU 76 3.102 -2.262 -2.524 521 HD22 LEU 76 1HD2 LEU 76 3.917 -3.795 -2.218 522 HD23 LEU 76 2HD2 LEU 76 4.831 -2.287 -2.172 523 H ILE 77 H ILE 77 4.302 -5.957 1.641 524 HA ILE 77 HA ILE 77 1.631 -6.464 1.188 525 HB ILE 77 HB ILE 77 3.384 -8.118 0.801 526 HG12 ILE 77 1HG1 ILE 77 2.211 -10.136 1.792 527 HG13 ILE 77 2HG1 ILE 77 1.155 -9.000 2.626 528 HG21 ILE 77 1HG2 ILE 77 3.523 -8.416 3.792 529 HG22 ILE 77 2HG2 ILE 77 4.777 -7.759 2.743 530 HG23 ILE 77 3HG2 ILE 77 4.327 -9.459 2.619 531 HD11 ILE 77 3HD1 ILE 77 1.497 -9.216 -0.356 532 HD12 ILE 77 1HD1 ILE 77 0.420 -8.104 0.484 533 HD13 ILE 77 2HD1 ILE 77 0.139 -9.840 0.581 534 H THR 78 H THR 78 3.313 -6.504 4.350 535 HA THR 78 HA THR 78 0.915 -7.054 5.800 536 HB THR 78 HB THR 78 3.479 -5.937 6.929 537 HG1 THR 78 HG1 THR 78 2.831 -8.639 6.260 538 HG21 THR 78 3HG2 THR 78 1.367 -7.782 8.055 539 HG22 THR 78 1HG2 THR 78 1.592 -6.085 8.478 540 HG23 THR 78 2HG2 THR 78 2.831 -7.272 8.893 541 H ALA 79 H ALA 79 2.930 -4.200 5.267 542 HA ALA 79 HA ALA 79 1.675 -2.429 6.964 543 HB1 ALA 79 3HB ALA 79 2.706 -0.681 5.716 544 HB2 ALA 79 1HB ALA 79 2.893 -1.734 4.313 545 HB3 ALA 79 2HB ALA 79 3.802 -2.060 5.788 546 H ILE 80 H ILE 80 0.783 -3.163 3.581 547 HA ILE 80 HA ILE 80 -1.235 -1.217 3.335 548 HB ILE 80 HB ILE 80 -1.122 -3.970 2.068 549 HG12 ILE 80 1HG1 ILE 80 -0.338 -1.260 0.969 550 HG13 ILE 80 2HG1 ILE 80 0.787 -2.498 1.516 551 HG21 ILE 80 1HG2 ILE 80 -3.400 -3.110 2.026 552 HG22 ILE 80 2HG2 ILE 80 -2.706 -3.086 0.407 553 HG23 ILE 80 3HG2 ILE 80 -2.831 -1.592 1.334 554 HD11 ILE 80 3HD1 ILE 80 -1.131 -2.758 -0.788 555 HD12 ILE 80 1HD1 ILE 80 0.017 -3.984 -0.251 556 HD13 ILE 80 2HD1 ILE 80 0.601 -2.456 -0.911 557 H ASP 81 H ASP 81 -1.342 -4.522 4.547 558 HA ASP 81 HA ASP 81 -4.102 -4.670 5.087 559 HB2 ASP 81 1HB ASP 81 -2.667 -6.653 4.994 560 HB3 ASP 81 2HB ASP 81 -1.774 -6.092 6.399 561 H ASP 82 H ASP 82 -1.353 -3.578 6.976 562 HA ASP 82 HA ASP 82 -2.784 -3.151 9.393 563 HB2 ASP 82 1HB ASP 82 -0.266 -3.384 9.150 564 HB3 ASP 82 2HB ASP 82 -0.253 -1.724 8.563 565 H THR 83 H THR 83 -2.113 -1.171 6.589 566 HA THR 83 HA THR 83 -3.025 1.288 7.619 567 HB THR 83 HB THR 83 -3.125 0.359 4.732 568 HG1 THR 83 HG1 THR 83 -1.010 0.226 5.666 569 HG21 THR 83 3HG2 THR 83 -3.006 3.138 5.927 570 HG22 THR 83 1HG2 THR 83 -4.424 2.408 5.174 571 HG23 THR 83 2HG2 THR 83 -2.988 2.753 4.207 572 H MET 84 H MET 84 -4.649 -1.498 6.295 573 HA MET 84 HA MET 84 -7.210 -0.377 5.916 574 HB2 MET 84 1HB MET 84 -6.528 -3.192 6.758 575 HB3 MET 84 2HB MET 84 -8.047 -2.657 6.057 576 HG2 MET 84 1HG MET 84 -7.057 -2.270 3.965 577 HG3 MET 84 2HG MET 84 -5.429 -2.450 4.625 578 HE1 MET 84 3HE MET 84 -8.839 -4.385 4.782 579 HE2 MET 84 1HE MET 84 -7.926 -4.777 6.235 580 HE3 MET 84 2HE MET 84 -8.239 -6.029 5.029 581 H ARG 85 H ARG 85 -5.469 -1.448 8.709 582 HA ARG 85 HA ARG 85 -7.675 -1.539 10.522 583 HB2 ARG 85 1HB ARG 85 -4.762 -1.008 11.145 584 HB3 ARG 85 2HB ARG 85 -5.992 -1.524 12.287 585 HG2 ARG 85 1HG ARG 85 -6.152 -3.672 11.226 586 HG3 ARG 85 2HG ARG 85 -5.065 -3.158 9.933 587 HD2 ARG 85 1HD ARG 85 -3.858 -4.508 11.546 588 HD3 ARG 85 2HD ARG 85 -3.274 -2.845 11.593 589 HE ARG 85 HE ARG 85 -5.288 -3.720 13.534 590 HH11 ARG 85 1HH1 ARG 85 -1.980 -2.663 12.891 591 HH12 ARG 85 2HH1 ARG 85 -1.635 -2.374 14.561 592 HH21 ARG 85 1HH2 ARG 85 -4.811 -3.339 15.721 593 HH22 ARG 85 2HH2 ARG 85 -3.247 -2.758 16.187 594 H ALA 86 H ALA 86 -5.239 0.867 9.677 595 HA ALA 86 HA ALA 86 -6.070 2.905 11.406 596 HB1 ALA 86 3HB ALA 86 -4.770 4.406 9.995 597 HB2 ALA 86 1HB ALA 86 -4.705 3.181 8.728 598 HB3 ALA 86 2HB ALA 86 -3.897 2.900 10.270 599 H ILE 87 H ILE 87 -6.986 2.240 8.000 600 HA ILE 87 HA ILE 87 -8.798 4.455 7.899 601 HB ILE 87 HB ILE 87 -8.670 2.000 6.121 602 HG12 ILE 87 1HG1 ILE 87 -7.433 4.735 5.727 603 HG13 ILE 87 2HG1 ILE 87 -6.550 3.286 6.196 604 HG21 ILE 87 1HG2 ILE 87 -9.847 3.392 4.474 605 HG22 ILE 87 2HG2 ILE 87 -9.950 4.697 5.655 606 HG23 ILE 87 3HG2 ILE 87 -10.803 3.181 5.943 607 HD11 ILE 87 3HD1 ILE 87 -7.135 2.241 4.082 608 HD12 ILE 87 1HD1 ILE 87 -6.289 3.768 3.831 609 HD13 ILE 87 2HD1 ILE 87 -8.039 3.682 3.616 610 H GLY 88 H GLY 88 -9.018 1.036 8.578 611 HA2 GLY 88 1HA GLY 88 -11.812 0.764 8.768 612 HA3 GLY 88 2HA GLY 88 -10.623 -0.274 9.516 613 H LYS 89 H LYS 89 -9.998 2.768 10.549 614 HA LYS 89 HA LYS 89 -11.000 2.258 13.194 615 HB2 LYS 89 1HB LYS 89 -8.876 3.438 12.896 616 HB3 LYS 89 2HB LYS 89 -9.700 4.735 12.041 617 HG2 LYS 89 1HG LYS 89 -10.958 5.268 14.073 618 HG3 LYS 89 2HG LYS 89 -10.109 3.979 14.925 619 HD2 LYS 89 1HD LYS 89 -7.988 5.109 14.538 620 HD3 LYS 89 2HD LYS 89 -8.821 6.392 13.661 621 HE2 LYS 89 1HE LYS 89 -10.050 7.002 15.656 622 HE3 LYS 89 2HE LYS 89 -9.322 5.664 16.542 623 HZ1 LYS 89 3HZ LYS 89 -8.228 7.744 17.044 624 HZ2 LYS 89 1HZ LYS 89 -7.864 7.989 15.411 625 HZ3 LYS 89 2HZ LYS 89 -7.164 6.701 16.253 626 H LYS 90 H LYS 90 -12.867 2.904 14.037 627 HA LYS 90 HA LYS 90 -14.334 5.106 12.892 628 HB2 LYS 90 1HB LYS 90 -16.415 3.598 12.747 629 HB3 LYS 90 2HB LYS 90 -15.234 3.496 11.452 630 HG2 LYS 90 1HG LYS 90 -14.294 1.476 12.487 631 HG3 LYS 90 2HG LYS 90 -15.516 1.576 13.753 632 HD2 LYS 90 1HD LYS 90 -17.275 1.330 12.085 633 HD3 LYS 90 2HD LYS 90 -16.061 1.269 10.807 634 HE2 LYS 90 1HE LYS 90 -16.841 -0.965 11.390 635 HE3 LYS 90 2HE LYS 90 -15.133 -0.765 11.770 636 HZ1 LYS 90 3HZ LYS 90 -16.347 -1.915 13.520 637 HZ2 LYS 90 1HZ LYS 90 -17.354 -0.577 13.736 638 HZ3 LYS 90 2HZ LYS 90 -15.706 -0.460 14.089 Start of MODEL 14 1 H ASN 7 H ASN 7 10.295 -20.673 -0.182 2 HA ASN 7 HA ASN 7 12.694 -19.581 1.133 3 HB2 ASN 7 1HB ASN 7 12.504 -21.196 -1.417 4 HB3 ASN 7 2HB ASN 7 13.989 -20.523 -0.756 5 HD21 ASN 7 2HD2 ASN 7 13.191 -21.092 2.013 6 HD22 ASN 7 1HD2 ASN 7 13.373 -22.796 2.218 7 H GLY 8 H GLY 8 10.550 -19.301 -1.621 8 HA2 GLY 8 1HA GLY 8 11.626 -16.595 -2.052 9 HA3 GLY 8 2HA GLY 8 11.271 -17.664 -3.405 10 H LEU 9 H LEU 9 9.838 -15.972 -0.671 11 HA LEU 9 HA LEU 9 7.159 -16.509 -1.358 12 HB2 LEU 9 1HB LEU 9 8.420 -14.353 0.342 13 HB3 LEU 9 2HB LEU 9 6.690 -14.554 0.175 14 HG LEU 9 HG LEU 9 7.019 -16.906 1.113 15 HD11 LEU 9 1HD1 LEU 9 9.696 -15.755 1.889 16 HD12 LEU 9 2HD1 LEU 9 9.419 -17.109 0.794 17 HD13 LEU 9 3HD1 LEU 9 9.007 -17.259 2.499 18 HD21 LEU 9 3HD2 LEU 9 6.027 -15.105 2.398 19 HD22 LEU 9 1HD2 LEU 9 7.627 -14.517 2.848 20 HD23 LEU 9 2HD2 LEU 9 7.069 -16.086 3.426 21 HA PRO 10 HA PRO 10 6.107 -13.733 -4.646 22 HB2 PRO 10 1HB PRO 10 4.015 -12.353 -3.324 23 HB3 PRO 10 2HB PRO 10 3.855 -13.762 -4.372 24 HG2 PRO 10 1HG PRO 10 3.959 -13.614 -1.402 25 HG3 PRO 10 2HG PRO 10 3.074 -14.743 -2.443 26 HD2 PRO 10 1HD PRO 10 5.271 -15.512 -1.145 27 HD3 PRO 10 2HD PRO 10 4.949 -16.071 -2.801 28 H SER 11 H SER 11 6.463 -11.632 -5.292 29 HA SER 11 HA SER 11 8.351 -10.163 -3.882 30 HB2 SER 11 1HB SER 11 6.514 -9.159 -6.061 31 HB3 SER 11 2HB SER 11 8.069 -8.467 -5.595 32 HG SER 11 HG SER 11 8.446 -11.049 -6.071 33 H GLU 12 H GLU 12 4.869 -9.969 -3.837 34 HA GLU 12 HA GLU 12 4.505 -7.403 -2.796 35 HB2 GLU 12 1HB GLU 12 2.779 -9.732 -1.995 36 HB3 GLU 12 2HB GLU 12 2.311 -8.056 -2.230 37 HG2 GLU 12 1HG GLU 12 2.918 -10.138 -4.296 38 HG3 GLU 12 2HG GLU 12 1.434 -9.222 -4.055 39 H THR 13 H THR 13 5.419 -10.387 -1.215 40 HA THR 13 HA THR 13 5.094 -9.241 1.440 41 HB THR 13 HB THR 13 5.829 -11.452 2.261 42 HG1 THR 13 HG1 THR 13 6.495 -11.784 -0.443 43 HG21 THR 13 3HG2 THR 13 3.458 -11.172 1.781 44 HG22 THR 13 1HG2 THR 13 3.983 -12.806 1.372 45 HG23 THR 13 2HG2 THR 13 3.737 -11.618 0.092 46 H TYR 14 H TYR 14 7.437 -9.309 -0.957 47 HA TYR 14 HA TYR 14 9.682 -9.416 0.882 48 HB2 TYR 14 1HB TYR 14 9.770 -10.869 -1.051 49 HB3 TYR 14 2HB TYR 14 9.525 -9.503 -2.128 50 HD1 TYR 14 HD1 TYR 14 11.882 -10.737 0.485 51 HD2 TYR 14 HD2 TYR 14 11.357 -8.505 -3.094 52 HE1 TYR 14 HE1 TYR 14 14.309 -10.453 0.315 53 HE2 TYR 14 HE2 TYR 14 13.774 -8.212 -3.277 54 HH TYR 14 HH TYR 14 16.007 -9.965 -1.341 55 H ILE 15 H ILE 15 7.835 -7.020 -0.810 56 HA ILE 15 HA ILE 15 10.108 -5.190 -0.606 57 HB ILE 15 HB ILE 15 8.655 -3.647 -2.091 58 HG12 ILE 15 1HG1 ILE 15 7.287 -5.007 -3.756 59 HG13 ILE 15 2HG1 ILE 15 7.344 -6.328 -2.598 60 HG21 ILE 15 1HG2 ILE 15 9.960 -6.124 -3.192 61 HG22 ILE 15 2HG2 ILE 15 10.749 -4.596 -2.800 62 HG23 ILE 15 3HG2 ILE 15 9.582 -4.674 -4.120 63 HD11 ILE 15 3HD1 ILE 15 6.135 -3.616 -2.114 64 HD12 ILE 15 1HD1 ILE 15 6.160 -4.960 -0.973 65 HD13 ILE 15 2HD1 ILE 15 5.251 -5.096 -2.478 66 H THR 16 H THR 16 9.794 -3.046 0.113 67 HA THR 16 HA THR 16 7.743 -2.903 2.213 68 HB THR 16 HB THR 16 9.244 -1.203 3.251 69 HG1 THR 16 HG1 THR 16 11.183 -2.074 1.353 70 HG21 THR 16 3HG2 THR 16 11.010 -2.795 3.950 71 HG22 THR 16 1HG2 THR 16 10.488 -3.896 2.675 72 HG23 THR 16 2HG2 THR 16 9.395 -3.501 4.007 73 H CYS 17 H CYS 17 7.098 -0.586 2.745 74 HA CYS 17 HA CYS 17 5.958 0.643 0.472 75 HB2 CYS 17 1HB CYS 17 6.388 2.193 2.979 76 HB3 CYS 17 2HB CYS 17 4.961 2.098 1.960 77 H ALA 18 H ALA 18 8.876 1.204 2.333 78 HA ALA 18 HA ALA 18 9.634 3.687 1.317 79 HB1 ALA 18 3HB ALA 18 11.439 1.425 2.175 80 HB2 ALA 18 1HB ALA 18 10.692 2.598 3.260 81 HB3 ALA 18 2HB ALA 18 11.874 3.131 2.066 82 H GLU 19 H GLU 19 10.642 0.398 0.205 83 HA GLU 19 HA GLU 19 12.016 1.237 -2.042 84 HB2 GLU 19 1HB GLU 19 10.477 -1.317 -1.591 85 HB3 GLU 19 2HB GLU 19 11.726 -1.066 -2.807 86 HG2 GLU 19 1HG GLU 19 13.401 -0.813 -1.145 87 HG3 GLU 19 2HG GLU 19 12.199 -0.774 0.140 88 H ALA 20 H ALA 20 8.579 0.638 -1.540 89 HA ALA 20 HA ALA 20 7.771 0.717 -4.219 90 HB1 ALA 20 3HB ALA 20 6.246 1.591 -1.762 91 HB2 ALA 20 1HB ALA 20 6.301 -0.046 -2.417 92 HB3 ALA 20 2HB ALA 20 5.543 1.251 -3.341 93 H ASN 21 H ASN 21 8.504 3.182 -1.891 94 HA ASN 21 HA ASN 21 7.546 5.428 -3.384 95 HB2 ASN 21 1HB ASN 21 7.903 5.656 -0.993 96 HB3 ASN 21 2HB ASN 21 9.597 5.217 -1.163 97 HD21 ASN 21 2HD2 ASN 21 11.068 6.743 -1.865 98 HD22 ASN 21 1HD2 ASN 21 10.673 8.418 -2.006 99 H GLU 22 H GLU 22 10.667 3.872 -2.945 100 HA GLU 22 HA GLU 22 12.189 5.478 -4.648 101 HB2 GLU 22 1HB GLU 22 12.506 2.542 -4.015 102 HB3 GLU 22 2HB GLU 22 13.714 3.515 -4.842 103 HG2 GLU 22 1HG GLU 22 12.724 3.851 -2.023 104 HG3 GLU 22 2HG GLU 22 14.325 3.324 -2.544 105 H MET 23 H MET 23 10.400 2.472 -5.399 106 HA MET 23 HA MET 23 10.878 2.447 -8.116 107 HB2 MET 23 1HB MET 23 8.390 1.629 -6.614 108 HB3 MET 23 2HB MET 23 8.717 1.221 -8.290 109 HG2 MET 23 1HG MET 23 10.603 -0.114 -7.660 110 HG3 MET 23 2HG MET 23 10.476 0.418 -5.986 111 HE1 MET 23 3HE MET 23 7.325 -2.256 -8.050 112 HE2 MET 23 1HE MET 23 8.772 -1.656 -8.859 113 HE3 MET 23 2HE MET 23 7.493 -0.536 -8.388 114 H ALA 24 H ALA 24 8.091 3.874 -6.461 115 HA ALA 24 HA ALA 24 6.690 4.983 -8.505 116 HB1 ALA 24 3HB ALA 24 5.965 4.974 -6.168 117 HB2 ALA 24 1HB ALA 24 5.729 6.543 -6.936 118 HB3 ALA 24 2HB ALA 24 7.078 6.299 -5.829 119 H LYS 25 H LYS 25 9.653 6.315 -7.217 120 HA LYS 25 HA LYS 25 9.343 8.893 -8.392 121 HB2 LYS 25 1HB LYS 25 11.599 9.353 -7.784 122 HB3 LYS 25 2HB LYS 25 10.943 8.347 -6.505 123 HG2 LYS 25 1HG LYS 25 12.028 6.387 -7.630 124 HG3 LYS 25 2HG LYS 25 12.837 7.544 -8.689 125 HD2 LYS 25 1HD LYS 25 13.859 8.616 -6.750 126 HD3 LYS 25 2HD LYS 25 13.026 7.490 -5.679 127 HE2 LYS 25 1HE LYS 25 14.208 5.619 -6.750 128 HE3 LYS 25 2HE LYS 25 15.066 6.764 -7.779 129 HZ1 LYS 25 3HZ LYS 25 16.439 6.150 -5.935 130 HZ2 LYS 25 1HZ LYS 25 15.241 6.572 -4.819 131 HZ3 LYS 25 2HZ LYS 25 15.996 7.766 -5.755 132 H THR 26 H THR 26 10.337 5.860 -9.551 133 HA THR 26 HA THR 26 11.259 6.990 -12.079 134 HB THR 26 HB THR 26 11.225 4.086 -11.242 135 HG1 THR 26 HG1 THR 26 13.168 6.116 -10.767 136 HG21 THR 26 3HG2 THR 26 13.008 3.880 -12.917 137 HG22 THR 26 1HG2 THR 26 12.869 5.601 -13.272 138 HG23 THR 26 2HG2 THR 26 11.527 4.517 -13.634 139 H ASP 27 H ASP 27 8.869 4.891 -10.565 140 HA ASP 27 HA ASP 27 7.110 5.192 -12.879 141 HB2 ASP 27 1HB ASP 27 8.502 3.002 -12.710 142 HB3 ASP 27 2HB ASP 27 7.314 2.575 -11.501 143 H SER 28 H SER 28 5.880 6.540 -11.639 144 HA SER 28 HA SER 28 4.922 5.876 -9.038 145 HB2 SER 28 1HB SER 28 5.118 8.221 -9.823 146 HB3 SER 28 2HB SER 28 3.821 7.924 -10.979 147 HG SER 28 HG SER 28 2.449 7.468 -9.199 148 H ALA 29 H ALA 29 3.733 5.420 -12.313 149 HA ALA 29 HA ALA 29 1.074 4.769 -11.643 150 HB1 ALA 29 3HB ALA 29 0.933 3.897 -13.914 151 HB2 ALA 29 1HB ALA 29 2.691 3.954 -14.055 152 HB3 ALA 29 2HB ALA 29 1.770 5.448 -13.891 153 H GLN 30 H GLN 30 3.973 2.797 -12.142 154 HA GLN 30 HA GLN 30 2.808 0.261 -11.971 155 HB2 GLN 30 1HB GLN 30 5.138 0.744 -12.681 156 HB3 GLN 30 2HB GLN 30 5.547 1.092 -11.010 157 HG2 GLN 30 1HG GLN 30 6.287 -1.108 -11.603 158 HG3 GLN 30 2HG GLN 30 4.997 -1.212 -10.406 159 HE21 GLN 30 2HE2 GLN 30 5.884 -1.770 -13.718 160 HE22 GLN 30 1HE2 GLN 30 4.511 -2.733 -14.136 161 H VAL 31 H VAL 31 3.970 2.406 -9.439 162 HA VAL 31 HA VAL 31 3.630 0.448 -7.365 163 HB VAL 31 HB VAL 31 4.146 3.419 -7.165 164 HG11 VAL 31 1HG1 VAL 31 4.365 1.250 -5.078 165 HG12 VAL 31 2HG1 VAL 31 3.166 2.542 -5.112 166 HG13 VAL 31 3HG1 VAL 31 4.870 2.925 -4.869 167 HG21 VAL 31 3HG2 VAL 31 6.016 1.063 -7.024 168 HG22 VAL 31 1HG2 VAL 31 6.460 2.745 -6.736 169 HG23 VAL 31 2HG2 VAL 31 5.912 2.240 -8.333 170 H ALA 32 H ALA 32 1.819 3.104 -8.709 171 HA ALA 32 HA ALA 32 -0.061 3.310 -6.574 172 HB1 ALA 32 3HB ALA 32 -1.361 4.683 -8.125 173 HB2 ALA 32 1HB ALA 32 -0.298 4.201 -9.447 174 HB3 ALA 32 2HB ALA 32 0.334 5.168 -8.116 175 H GLU 33 H GLU 33 0.268 1.402 -9.440 176 HA GLU 33 HA GLU 33 -2.385 0.397 -9.487 177 HB2 GLU 33 1HB GLU 33 -0.833 0.436 -11.429 178 HB3 GLU 33 2HB GLU 33 0.126 -0.811 -10.647 179 HG2 GLU 33 1HG GLU 33 -1.710 -2.363 -10.783 180 HG3 GLU 33 2HG GLU 33 -2.757 -1.108 -11.448 181 H ILE 34 H ILE 34 0.692 -0.841 -8.192 182 HA ILE 34 HA ILE 34 -0.259 -3.356 -7.395 183 HB ILE 34 HB ILE 34 2.021 -1.719 -6.252 184 HG12 ILE 34 1HG1 ILE 34 2.034 -3.971 -8.277 185 HG13 ILE 34 2HG1 ILE 34 2.205 -2.264 -8.667 186 HG21 ILE 34 1HG2 ILE 34 1.315 -3.423 -4.662 187 HG22 ILE 34 2HG2 ILE 34 2.875 -3.847 -5.368 188 HG23 ILE 34 3HG2 ILE 34 1.410 -4.658 -5.918 189 HD11 ILE 34 3HD1 ILE 34 4.103 -3.887 -6.987 190 HD12 ILE 34 1HD1 ILE 34 4.285 -2.181 -7.394 191 HD13 ILE 34 2HD1 ILE 34 4.353 -3.405 -8.665 192 H VAL 35 H VAL 35 0.072 -0.313 -5.626 193 HA VAL 35 HA VAL 35 -0.945 -1.329 -3.190 194 HB VAL 35 HB VAL 35 -1.226 1.015 -2.518 195 HG11 VAL 35 1HG1 VAL 35 1.388 0.432 -3.897 196 HG12 VAL 35 2HG1 VAL 35 0.945 -0.021 -2.249 197 HG13 VAL 35 3HG1 VAL 35 1.136 1.679 -2.673 198 HG21 VAL 35 3HG2 VAL 35 -1.975 1.989 -4.592 199 HG22 VAL 35 1HG2 VAL 35 -0.427 1.630 -5.351 200 HG23 VAL 35 2HG2 VAL 35 -0.517 2.818 -4.057 201 H ALA 36 H ALA 36 -2.473 0.012 -6.029 202 HA ALA 36 HA ALA 36 -5.007 0.468 -4.812 203 HB1 ALA 36 3HB ALA 36 -4.335 1.666 -6.825 204 HB2 ALA 36 1HB ALA 36 -5.831 0.774 -7.089 205 HB3 ALA 36 2HB ALA 36 -4.310 0.152 -7.727 206 H VAL 37 H VAL 37 -3.746 -2.086 -6.953 207 HA VAL 37 HA VAL 37 -6.058 -3.593 -7.140 208 HB VAL 37 HB VAL 37 -3.202 -4.598 -7.156 209 HG11 VAL 37 1HG1 VAL 37 -4.082 -6.572 -8.322 210 HG12 VAL 37 2HG1 VAL 37 -5.725 -5.973 -8.091 211 HG13 VAL 37 3HG1 VAL 37 -4.751 -6.434 -6.695 212 HG21 VAL 37 3HG2 VAL 37 -3.471 -4.557 -9.596 213 HG22 VAL 37 1HG2 VAL 37 -3.676 -2.953 -8.892 214 HG23 VAL 37 2HG2 VAL 37 -5.088 -3.878 -9.401 215 H MET 38 H MET 38 -3.317 -4.597 -4.930 216 HA MET 38 HA MET 38 -4.947 -6.329 -3.512 217 HB2 MET 38 1HB MET 38 -2.399 -4.988 -2.622 218 HB3 MET 38 2HB MET 38 -3.132 -6.400 -1.877 219 HG2 MET 38 1HG MET 38 -2.857 -7.565 -4.077 220 HG3 MET 38 2HG MET 38 -1.896 -6.184 -4.600 221 HE1 MET 38 3HE MET 38 -0.606 -5.581 -1.539 222 HE2 MET 38 1HE MET 38 0.234 -5.317 -3.070 223 HE3 MET 38 2HE MET 38 0.972 -6.313 -1.814 224 H GLY 39 H GLY 39 -4.149 -2.949 -2.979 225 HA2 GLY 39 1HA GLY 39 -5.021 -2.705 -0.350 226 HA3 GLY 39 2HA GLY 39 -5.041 -1.413 -1.542 227 H ASN 40 H ASN 40 -6.844 -1.925 -3.274 228 HA ASN 40 HA ASN 40 -9.271 -1.503 -1.908 229 HB2 ASN 40 1HB ASN 40 -10.044 -0.833 -3.935 230 HB3 ASN 40 2HB ASN 40 -8.359 -1.014 -4.423 231 HD21 ASN 40 2HD2 ASN 40 -7.767 -2.700 -5.696 232 HD22 ASN 40 1HD2 ASN 40 -8.900 -3.702 -6.536 233 H ALA 41 H ALA 41 -7.934 -4.343 -3.533 234 HA ALA 41 HA ALA 41 -10.247 -5.932 -3.414 235 HB1 ALA 41 3HB ALA 41 -8.798 -7.815 -3.890 236 HB2 ALA 41 1HB ALA 41 -7.381 -6.849 -3.481 237 HB3 ALA 41 2HB ALA 41 -8.358 -6.427 -4.886 238 H SER 42 H SER 42 -7.646 -5.430 -1.048 239 HA SER 42 HA SER 42 -8.621 -7.602 0.574 240 HB2 SER 42 1HB SER 42 -6.449 -5.571 1.146 241 HB3 SER 42 2HB SER 42 -6.755 -7.059 2.043 242 HG SER 42 HG SER 42 -5.806 -6.748 -0.604 243 H VAL 43 H VAL 43 -8.486 -4.034 0.735 244 HA VAL 43 HA VAL 43 -9.559 -3.809 3.303 245 HB VAL 43 HB VAL 43 -8.423 -1.987 2.031 246 HG11 VAL 43 1HG1 VAL 43 -11.071 -1.699 0.646 247 HG12 VAL 43 2HG1 VAL 43 -9.532 -2.149 -0.085 248 HG13 VAL 43 3HG1 VAL 43 -9.752 -0.527 0.576 249 HG21 VAL 43 3HG2 VAL 43 -10.081 -0.158 2.832 250 HG22 VAL 43 1HG2 VAL 43 -9.337 -1.243 4.007 251 HG23 VAL 43 2HG2 VAL 43 -10.985 -1.530 3.478 252 H ALA 44 H ALA 44 -11.239 -3.911 0.131 253 HA ALA 44 HA ALA 44 -13.803 -3.489 1.293 254 HB1 ALA 44 3HB ALA 44 -13.272 -2.836 -1.011 255 HB2 ALA 44 1HB ALA 44 -14.628 -3.965 -0.961 256 HB3 ALA 44 2HB ALA 44 -13.021 -4.525 -1.435 257 H SER 45 H SER 45 -11.740 -6.107 1.215 258 HA SER 45 HA SER 45 -13.715 -8.168 0.861 259 HB2 SER 45 1HB SER 45 -11.389 -8.494 0.113 260 HB3 SER 45 2HB SER 45 -10.837 -8.387 1.780 261 HG SER 45 HG SER 45 -12.563 -10.343 0.663 262 H ARG 46 H ARG 46 -12.343 -6.426 3.584 263 HA ARG 46 HA ARG 46 -13.817 -8.294 5.356 264 HB2 ARG 46 1HB ARG 46 -11.391 -6.655 6.113 265 HB3 ARG 46 2HB ARG 46 -12.300 -7.690 7.198 266 HG2 ARG 46 1HG ARG 46 -10.427 -8.955 6.657 267 HG3 ARG 46 2HG ARG 46 -11.673 -9.588 5.580 268 HD2 ARG 46 1HD ARG 46 -10.826 -8.336 3.747 269 HD3 ARG 46 2HD ARG 46 -9.736 -7.432 4.790 270 HE ARG 46 HE ARG 46 -9.430 -10.331 4.380 271 HH11 ARG 46 1HH1 ARG 46 -8.139 -7.070 4.349 272 HH12 ARG 46 2HH1 ARG 46 -6.520 -7.571 4.003 273 HH21 ARG 46 1HH2 ARG 46 -7.265 -10.998 3.899 274 HH22 ARG 46 2HH2 ARG 46 -6.026 -9.799 3.732 275 H ASP 47 H ASP 47 -13.410 -5.032 4.376 276 HA ASP 47 HA ASP 47 -14.925 -4.049 6.653 277 HB2 ASP 47 1HB ASP 47 -12.825 -2.933 5.633 278 HB3 ASP 47 2HB ASP 47 -13.915 -2.382 4.369 279 H LEU 48 H LEU 48 -15.153 -4.518 3.180 280 HA LEU 48 HA LEU 48 -16.879 -4.741 1.746 281 HB2 LEU 48 1HB LEU 48 -18.401 -4.918 4.314 282 HB3 LEU 48 2HB LEU 48 -19.269 -4.828 2.798 283 HG LEU 48 HG LEU 48 -19.086 -7.129 3.517 284 HD11 LEU 48 1HD1 LEU 48 -19.033 -6.683 1.120 285 HD12 LEU 48 2HD1 LEU 48 -18.111 -8.126 1.537 286 HD13 LEU 48 3HD1 LEU 48 -17.272 -6.622 1.167 287 HD21 LEU 48 3HD2 LEU 48 -17.095 -6.991 4.891 288 HD22 LEU 48 1HD2 LEU 48 -16.100 -6.705 3.464 289 HD23 LEU 48 2HD2 LEU 48 -16.907 -8.257 3.677 290 H LYS 49 H LYS 49 -17.399 -2.207 4.106 291 HA LYS 49 HA LYS 49 -19.160 -0.718 2.385 292 HB2 LYS 49 1HB LYS 49 -18.937 1.040 4.180 293 HB3 LYS 49 2HB LYS 49 -19.565 -0.514 4.706 294 HG2 LYS 49 1HG LYS 49 -17.281 -1.096 5.500 295 HG3 LYS 49 2HG LYS 49 -16.778 0.544 5.097 296 HD2 LYS 49 1HD LYS 49 -18.307 1.464 6.697 297 HD3 LYS 49 2HD LYS 49 -19.019 -0.124 6.995 298 HE2 LYS 49 1HE LYS 49 -17.496 0.428 8.797 299 HE3 LYS 49 2HE LYS 49 -16.846 -0.910 7.849 300 HZ1 LYS 49 3HZ LYS 49 -15.207 0.825 8.452 301 HZ2 LYS 49 1HZ LYS 49 -16.026 1.909 7.450 302 HZ3 LYS 49 2HZ LYS 49 -15.313 0.512 6.795 303 H ILE 50 H ILE 50 -16.188 -1.301 1.764 304 HA ILE 50 HA ILE 50 -15.198 1.417 1.375 305 HB ILE 50 HB ILE 50 -13.868 -1.224 0.718 306 HG12 ILE 50 1HG1 ILE 50 -14.330 -0.843 3.154 307 HG13 ILE 50 2HG1 ILE 50 -12.632 -1.019 2.745 308 HG21 ILE 50 1HG2 ILE 50 -11.806 0.149 0.611 309 HG22 ILE 50 2HG2 ILE 50 -12.789 1.596 0.818 310 HG23 ILE 50 3HG2 ILE 50 -12.988 0.592 -0.619 311 HD11 ILE 50 3HD1 ILE 50 -12.940 0.711 4.389 312 HD12 ILE 50 1HD1 ILE 50 -14.076 1.557 3.334 313 HD13 ILE 50 2HD1 ILE 50 -12.376 1.419 2.875 314 H GLU 51 H GLU 51 -15.914 2.413 -0.415 315 HA GLU 51 HA GLU 51 -16.656 0.895 -2.761 316 HB2 GLU 51 1HB GLU 51 -17.955 2.886 -1.963 317 HB3 GLU 51 2HB GLU 51 -16.582 3.898 -2.380 318 HG2 GLU 51 1HG GLU 51 -18.381 3.918 -4.071 319 HG3 GLU 51 2HG GLU 51 -16.827 3.379 -4.706 320 H GLN 52 H GLN 52 -15.808 1.571 -4.920 321 HA GLN 52 HA GLN 52 -12.951 1.397 -4.906 322 HB2 GLN 52 1HB GLN 52 -14.768 1.873 -7.272 323 HB3 GLN 52 2HB GLN 52 -13.125 1.250 -7.309 324 HG2 GLN 52 1HG GLN 52 -15.489 -0.134 -6.067 325 HG3 GLN 52 2HG GLN 52 -14.795 -0.499 -7.644 326 HE21 GLN 52 2HE2 GLN 52 -12.060 -0.156 -6.782 327 HE22 GLN 52 1HE2 GLN 52 -11.684 -1.533 -5.804 328 H SER 53 H SER 53 -12.527 3.396 -3.761 329 HA SER 53 HA SER 53 -12.796 5.808 -5.394 330 HB2 SER 53 1HB SER 53 -12.102 5.480 -2.468 331 HB3 SER 53 2HB SER 53 -12.332 7.016 -3.297 332 HG SER 53 HG SER 53 -14.494 6.185 -3.815 333 HA PRO 54 HA PRO 54 -8.412 5.109 -6.425 334 HB2 PRO 54 1HB PRO 54 -8.862 7.714 -7.774 335 HB3 PRO 54 2HB PRO 54 -8.199 6.214 -8.429 336 HG2 PRO 54 1HG PRO 54 -10.659 7.000 -9.074 337 HG3 PRO 54 2HG PRO 54 -10.300 5.288 -8.782 338 HD2 PRO 54 1HD PRO 54 -11.648 7.274 -6.995 339 HD3 PRO 54 2HD PRO 54 -12.044 5.568 -7.285 340 H GLU 55 H GLU 55 -9.938 7.878 -5.048 341 HA GLU 55 HA GLU 55 -7.579 9.363 -4.385 342 HB2 GLU 55 1HB GLU 55 -10.331 9.438 -3.146 343 HB3 GLU 55 2HB GLU 55 -9.037 10.556 -2.745 344 HG2 GLU 55 1HG GLU 55 -9.011 11.413 -4.983 345 HG3 GLU 55 2HG GLU 55 -10.198 10.215 -5.497 346 H LEU 56 H LEU 56 -9.290 6.734 -2.909 347 HA LEU 56 HA LEU 56 -7.996 6.916 -0.372 348 HB2 LEU 56 1HB LEU 56 -10.161 5.780 -0.664 349 HB3 LEU 56 2HB LEU 56 -9.392 4.583 -1.695 350 HG LEU 56 HG LEU 56 -8.044 3.820 0.231 351 HD11 LEU 56 1HD1 LEU 56 -7.983 5.887 1.510 352 HD12 LEU 56 2HD1 LEU 56 -8.635 4.570 2.487 353 HD13 LEU 56 3HD1 LEU 56 -9.720 5.776 1.797 354 HD21 LEU 56 3HD2 LEU 56 -11.021 3.850 0.709 355 HD22 LEU 56 1HD2 LEU 56 -9.872 2.724 1.432 356 HD23 LEU 56 2HD2 LEU 56 -10.146 2.709 -0.311 357 H SER 57 H SER 57 -7.429 5.260 -3.396 358 HA SER 57 HA SER 57 -5.320 3.568 -2.558 359 HB2 SER 57 1HB SER 57 -5.701 4.780 -5.309 360 HB3 SER 57 2HB SER 57 -4.819 3.305 -4.915 361 HG SER 57 HG SER 57 -7.082 2.779 -3.943 362 H ALA 58 H ALA 58 -5.248 6.652 -4.284 363 HA ALA 58 HA ALA 58 -2.619 7.326 -4.218 364 HB1 ALA 58 3HB ALA 58 -3.277 9.674 -4.189 365 HB2 ALA 58 1HB ALA 58 -4.884 9.223 -3.620 366 HB3 ALA 58 2HB ALA 58 -4.345 8.729 -5.226 367 H LYS 59 H LYS 59 -4.826 7.494 -1.466 368 HA LYS 59 HA LYS 59 -2.943 8.853 0.203 369 HB2 LYS 59 1HB LYS 59 -5.425 9.024 0.448 370 HB3 LYS 59 2HB LYS 59 -5.434 7.374 1.052 371 HG2 LYS 59 1HG LYS 59 -4.362 7.956 3.027 372 HG3 LYS 59 2HG LYS 59 -3.739 9.465 2.357 373 HD2 LYS 59 1HD LYS 59 -5.511 10.004 3.875 374 HD3 LYS 59 2HD LYS 59 -6.087 10.300 2.237 375 HE2 LYS 59 1HE LYS 59 -7.834 9.215 3.456 376 HE3 LYS 59 2HE LYS 59 -7.186 8.061 2.294 377 HZ1 LYS 59 3HZ LYS 59 -5.899 7.053 4.072 378 HZ2 LYS 59 1HZ LYS 59 -7.543 7.058 4.464 379 HZ3 LYS 59 2HZ LYS 59 -6.503 8.176 5.179 380 H VAL 60 H VAL 60 -4.064 5.505 -0.021 381 HA VAL 60 HA VAL 60 -2.538 4.480 2.101 382 HB VAL 60 HB VAL 60 -2.908 2.274 1.361 383 HG11 VAL 60 1HG1 VAL 60 -5.243 3.888 0.380 384 HG12 VAL 60 2HG1 VAL 60 -4.918 3.456 2.056 385 HG13 VAL 60 3HG1 VAL 60 -5.274 2.194 0.875 386 HG21 VAL 60 3HG2 VAL 60 -2.041 2.411 -0.893 387 HG22 VAL 60 1HG2 VAL 60 -3.446 3.346 -1.407 388 HG23 VAL 60 2HG2 VAL 60 -3.636 1.664 -0.902 389 H VAL 61 H VAL 61 -1.392 5.539 -0.930 390 HA VAL 61 HA VAL 61 1.115 4.057 -0.516 391 HB VAL 61 HB VAL 61 0.128 3.933 -2.780 392 HG11 VAL 61 1HG1 VAL 61 0.239 5.859 -4.289 393 HG12 VAL 61 2HG1 VAL 61 0.731 6.877 -2.938 394 HG13 VAL 61 3HG1 VAL 61 -0.866 6.132 -2.944 395 HG21 VAL 61 3HG2 VAL 61 2.193 4.404 -4.032 396 HG22 VAL 61 1HG2 VAL 61 2.514 3.583 -2.504 397 HG23 VAL 61 2HG2 VAL 61 2.807 5.315 -2.652 398 H GLU 62 H GLU 62 -0.280 7.180 -0.367 399 HA GLU 62 HA GLU 62 2.216 8.617 -0.377 400 HB2 GLU 62 1HB GLU 62 0.226 9.679 -1.256 401 HB3 GLU 62 2HB GLU 62 -0.588 9.498 0.292 402 HG2 GLU 62 1HG GLU 62 1.260 10.928 1.266 403 HG3 GLU 62 2HG GLU 62 1.711 11.288 -0.400 404 H LYS 63 H LYS 63 -0.349 8.234 2.086 405 HA LYS 63 HA LYS 63 1.391 9.366 4.075 406 HB2 LYS 63 1HB LYS 63 -1.436 8.331 4.220 407 HB3 LYS 63 2HB LYS 63 -0.575 9.003 5.600 408 HG2 LYS 63 1HG LYS 63 -0.310 11.124 4.401 409 HG3 LYS 63 2HG LYS 63 -1.191 10.454 3.030 410 HD2 LYS 63 1HD LYS 63 -3.189 10.235 4.357 411 HD3 LYS 63 2HD LYS 63 -2.317 10.712 5.815 412 HE2 LYS 63 1HE LYS 63 -3.634 12.575 4.958 413 HE3 LYS 63 2HE LYS 63 -1.912 12.927 4.847 414 HZ1 LYS 63 3HZ LYS 63 -1.991 12.354 2.482 415 HZ2 LYS 63 1HZ LYS 63 -3.069 13.602 2.850 416 HZ3 LYS 63 2HZ LYS 63 -3.651 12.040 2.601 417 H LEU 64 H LEU 64 -0.157 6.275 3.632 418 HA LEU 64 HA LEU 64 0.822 4.850 5.746 419 HB2 LEU 64 1HB LEU 64 -0.650 3.866 4.111 420 HB3 LEU 64 2HB LEU 64 0.614 3.904 2.900 421 HG LEU 64 HG LEU 64 1.902 2.276 4.260 422 HD11 LEU 64 1HD1 LEU 64 0.973 2.737 6.447 423 HD12 LEU 64 2HD1 LEU 64 0.685 1.047 6.031 424 HD13 LEU 64 3HD1 LEU 64 -0.625 2.220 5.910 425 HD21 LEU 64 3HD2 LEU 64 0.538 1.551 2.389 426 HD22 LEU 64 1HD2 LEU 64 -0.876 1.444 3.438 427 HD23 LEU 64 2HD2 LEU 64 0.489 0.357 3.685 428 H ASN 65 H ASN 65 2.656 5.662 2.805 429 HA ASN 65 HA ASN 65 4.905 4.083 3.230 430 HB2 ASN 65 1HB ASN 65 4.549 5.209 1.119 431 HB3 ASN 65 2HB ASN 65 4.731 6.783 1.889 432 HD21 ASN 65 2HD2 ASN 65 6.497 7.455 0.745 433 HD22 ASN 65 1HD2 ASN 65 8.050 6.705 0.868 434 H GLN 66 H GLN 66 4.596 7.455 3.961 435 HA GLN 66 HA GLN 66 6.946 8.011 5.245 436 HB2 GLN 66 1HB GLN 66 5.979 9.837 6.408 437 HB3 GLN 66 2HB GLN 66 5.053 9.646 4.929 438 HG2 GLN 66 1HG GLN 66 3.506 8.202 6.470 439 HG3 GLN 66 2HG GLN 66 4.264 9.157 7.743 440 HE21 GLN 66 2HE2 GLN 66 1.536 9.103 6.772 441 HE22 GLN 66 1HE2 GLN 66 1.159 10.712 6.277 442 H VAL 67 H VAL 67 4.236 6.335 6.817 443 HA VAL 67 HA VAL 67 5.414 5.995 9.354 444 HB VAL 67 HB VAL 67 3.593 4.009 7.997 445 HG11 VAL 67 1HG1 VAL 67 4.026 4.658 10.908 446 HG12 VAL 67 2HG1 VAL 67 4.553 3.199 10.065 447 HG13 VAL 67 3HG1 VAL 67 2.833 3.522 10.282 448 HG21 VAL 67 3HG2 VAL 67 2.844 6.512 9.516 449 HG22 VAL 67 1HG2 VAL 67 1.711 5.269 8.980 450 HG23 VAL 67 2HG2 VAL 67 2.602 6.219 7.793 451 H CYS 68 H CYS 68 5.438 3.893 6.507 452 HA CYS 68 HA CYS 68 7.063 1.830 7.572 453 HB2 CYS 68 1HB CYS 68 6.837 2.713 4.698 454 HB3 CYS 68 2HB CYS 68 7.422 1.151 5.254 455 H ALA 69 H ALA 69 7.780 4.769 5.793 456 HA ALA 69 HA ALA 69 10.527 4.485 5.469 457 HB1 ALA 69 3HB ALA 69 10.595 6.924 5.252 458 HB2 ALA 69 1HB ALA 69 8.968 7.022 5.917 459 HB3 ALA 69 2HB ALA 69 9.238 6.227 4.368 460 H LYS 70 H LYS 70 8.800 4.904 8.373 461 HA LYS 70 HA LYS 70 11.037 6.047 9.835 462 HB2 LYS 70 1HB LYS 70 8.369 5.011 10.795 463 HB3 LYS 70 2HB LYS 70 9.572 5.786 11.814 464 HG2 LYS 70 1HG LYS 70 9.353 7.836 10.524 465 HG3 LYS 70 2HG LYS 70 8.152 7.057 9.490 466 HD2 LYS 70 1HD LYS 70 6.707 6.717 11.434 467 HD3 LYS 70 2HD LYS 70 7.905 7.507 12.461 468 HE2 LYS 70 1HE LYS 70 7.675 9.550 11.124 469 HE3 LYS 70 2HE LYS 70 6.445 8.754 10.143 470 HZ1 LYS 70 3HZ LYS 70 6.267 9.316 13.051 471 HZ2 LYS 70 1HZ LYS 70 5.090 8.511 12.144 472 HZ3 LYS 70 2HZ LYS 70 5.441 10.136 11.830 473 H ASP 71 H ASP 71 9.509 2.952 9.266 474 HA ASP 71 HA ASP 71 11.757 1.653 10.615 475 HB2 ASP 71 1HB ASP 71 8.847 0.915 11.043 476 HB3 ASP 71 2HB ASP 71 10.210 -0.072 11.557 477 HA PRO 72 HA PRO 72 11.567 0.179 6.323 478 HB2 PRO 72 1HB PRO 72 14.039 -1.170 7.286 479 HB3 PRO 72 2HB PRO 72 13.777 -0.201 5.830 480 HG2 PRO 72 1HG PRO 72 15.096 0.829 7.880 481 HG3 PRO 72 2HG PRO 72 13.921 1.813 6.988 482 HD2 PRO 72 1HD PRO 72 13.630 0.458 9.644 483 HD3 PRO 72 2HD PRO 72 13.090 2.073 9.134 484 H GLN 73 H GLN 73 11.557 -1.705 9.254 485 HA GLN 73 HA GLN 73 11.482 -4.273 8.112 486 HB2 GLN 73 1HB GLN 73 10.234 -3.354 10.694 487 HB3 GLN 73 2HB GLN 73 10.739 -4.986 10.279 488 HG2 GLN 73 1HG GLN 73 13.025 -4.390 10.356 489 HG3 GLN 73 2HG GLN 73 12.637 -2.674 10.458 490 HE21 GLN 73 2HE2 GLN 73 13.678 -2.342 12.318 491 HE22 GLN 73 1HE2 GLN 73 13.168 -2.978 13.849 492 H MET 74 H MET 74 9.226 -1.761 8.065 493 HA MET 74 HA MET 74 6.848 -3.384 8.132 494 HB2 MET 74 1HB MET 74 7.295 -0.503 7.361 495 HB3 MET 74 2HB MET 74 5.716 -1.273 7.362 496 HG2 MET 74 1HG MET 74 7.513 -0.944 9.757 497 HG3 MET 74 2HG MET 74 6.101 0.043 9.381 498 HE1 MET 74 3HE MET 74 3.612 -0.884 9.367 499 HE2 MET 74 1HE MET 74 3.178 -2.550 9.754 500 HE3 MET 74 2HE MET 74 4.054 -2.191 8.269 501 H LEU 75 H LEU 75 6.546 -4.815 6.547 502 HA LEU 75 HA LEU 75 7.367 -4.354 3.839 503 HB2 LEU 75 1HB LEU 75 5.606 -6.493 5.056 504 HB3 LEU 75 2HB LEU 75 6.034 -6.447 3.362 505 HG LEU 75 HG LEU 75 7.441 -8.053 4.317 506 HD11 LEU 75 1HD1 LEU 75 8.614 -6.553 2.822 507 HD12 LEU 75 2HD1 LEU 75 9.681 -7.180 4.077 508 HD13 LEU 75 3HD1 LEU 75 9.066 -5.532 4.187 509 HD21 LEU 75 3HD2 LEU 75 8.812 -7.690 6.318 510 HD22 LEU 75 1HD2 LEU 75 7.086 -7.554 6.660 511 HD23 LEU 75 2HD2 LEU 75 8.076 -6.100 6.524 512 H LEU 76 H LEU 76 5.996 -4.074 2.018 513 HA LEU 76 HA LEU 76 3.946 -2.181 2.454 514 HB2 LEU 76 1HB LEU 76 5.302 -2.243 0.410 515 HB3 LEU 76 2HB LEU 76 4.556 -3.768 -0.037 516 HG LEU 76 HG LEU 76 2.363 -2.609 -0.192 517 HD11 LEU 76 1HD1 LEU 76 2.799 -0.765 1.332 518 HD12 LEU 76 2HD1 LEU 76 2.309 -0.168 -0.253 519 HD13 LEU 76 3HD1 LEU 76 4.005 -0.117 0.222 520 HD21 LEU 76 3HD2 LEU 76 2.843 -1.445 -2.290 521 HD22 LEU 76 1HD2 LEU 76 3.720 -2.971 -2.185 522 HD23 LEU 76 2HD2 LEU 76 4.563 -1.450 -1.900 523 H ILE 77 H ILE 77 3.873 -5.641 1.792 524 HA ILE 77 HA ILE 77 1.143 -5.923 1.295 525 HB ILE 77 HB ILE 77 2.801 -7.725 0.919 526 HG12 ILE 77 1HG1 ILE 77 1.407 -9.628 1.865 527 HG13 ILE 77 2HG1 ILE 77 0.426 -8.395 2.649 528 HG21 ILE 77 1HG2 ILE 77 4.163 -7.535 2.885 529 HG22 ILE 77 2HG2 ILE 77 3.508 -9.171 2.787 530 HG23 ILE 77 3HG2 ILE 77 2.809 -8.007 3.913 531 HD11 ILE 77 3HD1 ILE 77 -0.121 -7.442 0.471 532 HD12 ILE 77 1HD1 ILE 77 -0.576 -9.146 0.564 533 HD13 ILE 77 2HD1 ILE 77 0.880 -8.666 -0.312 534 H THR 78 H THR 78 2.906 -5.982 4.372 535 HA THR 78 HA THR 78 0.617 -6.439 5.985 536 HB THR 78 HB THR 78 3.265 -5.242 6.811 537 HG1 THR 78 HG1 THR 78 2.799 -7.965 7.137 538 HG21 THR 78 3HG2 THR 78 1.233 -6.881 8.335 539 HG22 THR 78 1HG2 THR 78 1.463 -5.139 8.492 540 HG23 THR 78 2HG2 THR 78 2.747 -6.245 8.979 541 H ALA 79 H ALA 79 2.458 -3.595 5.010 542 HA ALA 79 HA ALA 79 1.313 -1.687 6.669 543 HB1 ALA 79 3HB ALA 79 3.300 -1.328 5.278 544 HB2 ALA 79 1HB ALA 79 2.105 -0.049 5.075 545 HB3 ALA 79 2HB ALA 79 2.276 -1.299 3.844 546 H ILE 80 H ILE 80 0.334 -2.527 3.326 547 HA ILE 80 HA ILE 80 -1.894 -0.832 3.209 548 HB ILE 80 HB ILE 80 -1.550 -3.498 1.815 549 HG12 ILE 80 1HG1 ILE 80 -0.802 -0.717 0.879 550 HG13 ILE 80 2HG1 ILE 80 0.336 -1.947 1.414 551 HG21 ILE 80 1HG2 ILE 80 -3.839 -2.714 1.711 552 HG22 ILE 80 2HG2 ILE 80 -3.071 -2.550 0.131 553 HG23 ILE 80 3HG2 ILE 80 -3.296 -1.132 1.151 554 HD11 ILE 80 3HD1 ILE 80 -0.320 -3.370 -0.454 555 HD12 ILE 80 1HD1 ILE 80 0.257 -1.799 -1.011 556 HD13 ILE 80 2HD1 ILE 80 -1.473 -2.146 -0.983 557 H ASP 81 H ASP 81 -1.524 -4.113 4.396 558 HA ASP 81 HA ASP 81 -4.232 -4.702 4.854 559 HB2 ASP 81 1HB ASP 81 -2.539 -6.444 4.872 560 HB3 ASP 81 2HB ASP 81 -1.737 -5.694 6.248 561 H ASP 82 H ASP 82 -1.768 -3.179 6.888 562 HA ASP 82 HA ASP 82 -3.466 -2.863 9.151 563 HB2 ASP 82 1HB ASP 82 -0.815 -1.680 8.388 564 HB3 ASP 82 2HB ASP 82 -1.689 -1.084 9.793 565 H THR 83 H THR 83 -3.231 -1.175 6.186 566 HA THR 83 HA THR 83 -4.127 1.352 7.150 567 HB THR 83 HB THR 83 -4.460 0.281 4.333 568 HG1 THR 83 HG1 THR 83 -2.203 0.352 5.485 569 HG21 THR 83 3HG2 THR 83 -5.638 2.376 4.777 570 HG22 THR 83 1HG2 THR 83 -4.244 2.679 3.742 571 HG23 THR 83 2HG2 THR 83 -4.169 3.081 5.453 572 H MET 84 H MET 84 -5.661 -1.552 5.822 573 HA MET 84 HA MET 84 -8.323 -0.625 5.805 574 HB2 MET 84 1HB MET 84 -7.618 -2.765 4.775 575 HB3 MET 84 2HB MET 84 -7.318 -3.426 6.376 576 HG2 MET 84 1HG MET 84 -9.746 -3.018 6.887 577 HG3 MET 84 2HG MET 84 -9.969 -2.640 5.184 578 HE1 MET 84 3HE MET 84 -9.318 -5.263 7.859 579 HE2 MET 84 1HE MET 84 -7.772 -5.367 7.019 580 HE3 MET 84 2HE MET 84 -8.899 -6.726 6.963 581 H ARG 85 H ARG 85 -6.307 -2.050 8.305 582 HA ARG 85 HA ARG 85 -8.166 -2.267 10.366 583 HB2 ARG 85 1HB ARG 85 -6.177 -3.361 10.765 584 HB3 ARG 85 2HB ARG 85 -5.205 -2.049 10.127 585 HG2 ARG 85 1HG ARG 85 -5.701 -0.755 12.179 586 HG3 ARG 85 2HG ARG 85 -6.537 -2.176 12.820 587 HD2 ARG 85 1HD ARG 85 -4.580 -3.427 12.929 588 HD3 ARG 85 2HD ARG 85 -3.732 -2.380 11.796 589 HE ARG 85 HE ARG 85 -4.463 -1.036 14.212 590 HH11 ARG 85 1HH1 ARG 85 -2.082 -3.150 12.738 591 HH12 ARG 85 2HH1 ARG 85 -0.798 -2.672 13.793 592 HH21 ARG 85 1HH2 ARG 85 -2.759 -0.391 15.623 593 HH22 ARG 85 2HH2 ARG 85 -1.188 -1.091 15.444 594 H ALA 86 H ALA 86 -5.970 0.414 9.523 595 HA ALA 86 HA ALA 86 -6.734 2.210 11.507 596 HB1 ALA 86 3HB ALA 86 -5.855 3.964 10.048 597 HB2 ALA 86 1HB ALA 86 -5.878 2.848 8.681 598 HB3 ALA 86 2HB ALA 86 -4.797 2.553 10.044 599 H ILE 87 H ILE 87 -8.137 1.681 8.281 600 HA ILE 87 HA ILE 87 -10.121 3.701 8.483 601 HB ILE 87 HB ILE 87 -10.166 1.166 6.824 602 HG12 ILE 87 1HG1 ILE 87 -9.269 3.951 6.053 603 HG13 ILE 87 2HG1 ILE 87 -8.182 2.623 6.443 604 HG21 ILE 87 1HG2 ILE 87 -11.728 3.736 6.524 605 HG22 ILE 87 2HG2 ILE 87 -12.378 2.172 7.015 606 HG23 ILE 87 3HG2 ILE 87 -11.743 2.389 5.384 607 HD11 ILE 87 3HD1 ILE 87 -10.139 2.694 4.167 608 HD12 ILE 87 1HD1 ILE 87 -9.056 1.360 4.556 609 HD13 ILE 87 2HD1 ILE 87 -8.393 2.915 4.052 610 H GLY 88 H GLY 88 -9.960 0.349 9.419 611 HA2 GLY 88 1HA GLY 88 -12.666 -0.108 10.051 612 HA3 GLY 88 2HA GLY 88 -11.304 -0.972 10.742 613 H LYS 89 H LYS 89 -10.559 2.027 11.476 614 HA LYS 89 HA LYS 89 -11.663 1.821 14.150 615 HB2 LYS 89 1HB LYS 89 -9.657 3.688 12.899 616 HB3 LYS 89 2HB LYS 89 -10.275 3.928 14.524 617 HG2 LYS 89 1HG LYS 89 -8.848 1.452 13.580 618 HG3 LYS 89 2HG LYS 89 -8.095 2.780 14.469 619 HD2 LYS 89 1HD LYS 89 -9.620 2.391 16.345 620 HD3 LYS 89 2HD LYS 89 -10.387 1.075 15.456 621 HE2 LYS 89 1HE LYS 89 -7.505 1.178 16.334 622 HE3 LYS 89 2HE LYS 89 -8.784 0.240 17.098 623 HZ1 LYS 89 3HZ LYS 89 -7.467 -1.126 15.628 624 HZ2 LYS 89 1HZ LYS 89 -7.804 -0.112 14.320 625 HZ3 LYS 89 2HZ LYS 89 -9.044 -1.004 15.043 626 H LYS 90 H LYS 90 -13.472 2.692 14.703 627 HA LYS 90 HA LYS 90 -15.265 4.020 14.882 628 HB2 LYS 90 1HB LYS 90 -13.722 5.944 14.893 629 HB3 LYS 90 2HB LYS 90 -13.781 5.995 13.136 630 HG2 LYS 90 1HG LYS 90 -16.130 6.528 13.184 631 HG3 LYS 90 2HG LYS 90 -16.161 6.359 14.940 632 HD2 LYS 90 1HD LYS 90 -14.624 8.237 15.154 633 HD3 LYS 90 2HD LYS 90 -14.557 8.394 13.399 634 HE2 LYS 90 1HE LYS 90 -16.938 8.884 13.332 635 HE3 LYS 90 2HE LYS 90 -17.045 8.666 15.076 636 HZ1 LYS 90 3HZ LYS 90 -15.389 10.723 13.734 637 HZ2 LYS 90 1HZ LYS 90 -15.627 10.548 15.396 638 HZ3 LYS 90 2HZ LYS 90 -16.916 11.003 14.401 Start of MODEL 15 1 H ASN 7 H ASN 7 9.590 -20.246 2.257 2 HA ASN 7 HA ASN 7 10.159 -17.460 2.998 3 HB2 ASN 7 1HB ASN 7 12.417 -17.905 2.056 4 HB3 ASN 7 2HB ASN 7 12.012 -19.001 3.371 5 HD21 ASN 7 2HD2 ASN 7 12.728 -18.710 0.016 6 HD22 ASN 7 1HD2 ASN 7 12.719 -20.404 -0.339 7 H GLY 8 H GLY 8 8.651 -19.210 0.667 8 HA2 GLY 8 1HA GLY 8 9.546 -17.705 -1.633 9 HA3 GLY 8 2HA GLY 8 8.307 -18.952 -1.612 10 H LEU 9 H LEU 9 8.799 -15.769 -0.122 11 HA LEU 9 HA LEU 9 6.013 -15.135 -0.348 12 HB2 LEU 9 1HB LEU 9 8.423 -13.523 0.486 13 HB3 LEU 9 2HB LEU 9 6.824 -12.820 0.360 14 HG LEU 9 HG LEU 9 6.078 -14.554 2.069 15 HD11 LEU 9 1HD1 LEU 9 7.962 -16.081 1.859 16 HD12 LEU 9 2HD1 LEU 9 7.805 -15.484 3.511 17 HD13 LEU 9 3HD1 LEU 9 9.052 -14.828 2.451 18 HD21 LEU 9 3HD2 LEU 9 6.923 -13.226 3.939 19 HD22 LEU 9 1HD2 LEU 9 6.393 -12.203 2.604 20 HD23 LEU 9 2HD2 LEU 9 8.114 -12.483 2.873 21 HA PRO 10 HA PRO 10 6.111 -13.563 -4.525 22 HB2 PRO 10 1HB PRO 10 4.032 -11.722 -3.448 23 HB3 PRO 10 2HB PRO 10 3.973 -12.771 -4.866 24 HG2 PRO 10 1HG PRO 10 2.643 -13.418 -2.657 25 HG3 PRO 10 2HG PRO 10 3.474 -14.663 -3.609 26 HD2 PRO 10 1HD PRO 10 4.288 -13.383 -1.036 27 HD3 PRO 10 2HD PRO 10 4.465 -15.069 -1.573 28 H SER 11 H SER 11 6.778 -11.620 -5.578 29 HA SER 11 HA SER 11 8.588 -10.050 -4.136 30 HB2 SER 11 1HB SER 11 7.310 -9.419 -6.801 31 HB3 SER 11 2HB SER 11 8.831 -8.765 -6.187 32 HG SER 11 HG SER 11 8.928 -10.651 -7.679 33 H GLU 12 H GLU 12 5.245 -9.663 -4.875 34 HA GLU 12 HA GLU 12 4.847 -6.955 -4.271 35 HB2 GLU 12 1HB GLU 12 3.273 -8.553 -5.405 36 HB3 GLU 12 2HB GLU 12 2.968 -9.281 -3.841 37 HG2 GLU 12 1HG GLU 12 2.081 -7.154 -3.044 38 HG3 GLU 12 2HG GLU 12 2.357 -6.463 -4.645 39 H THR 13 H THR 13 4.919 -9.842 -2.317 40 HA THR 13 HA THR 13 4.319 -8.431 0.169 41 HB THR 13 HB THR 13 5.016 -11.355 -0.119 42 HG1 THR 13 HG1 THR 13 2.731 -9.960 -0.920 43 HG21 THR 13 3HG2 THR 13 4.869 -10.464 2.170 44 HG22 THR 13 1HG2 THR 13 3.557 -11.598 1.840 45 HG23 THR 13 2HG2 THR 13 3.246 -9.860 1.833 46 H TYR 14 H TYR 14 7.056 -9.059 -1.631 47 HA TYR 14 HA TYR 14 8.793 -9.673 0.604 48 HB2 TYR 14 1HB TYR 14 9.132 -10.933 -1.425 49 HB3 TYR 14 2HB TYR 14 9.305 -9.453 -2.359 50 HD1 TYR 14 HD1 TYR 14 10.893 -11.547 0.230 51 HD2 TYR 14 HD2 TYR 14 11.367 -8.342 -2.515 52 HE1 TYR 14 HE1 TYR 14 13.312 -11.581 0.620 53 HE2 TYR 14 HE2 TYR 14 13.770 -8.355 -2.143 54 HH TYR 14 HH TYR 14 15.359 -10.906 -0.472 55 H ILE 15 H ILE 15 7.938 -6.934 -1.380 56 HA ILE 15 HA ILE 15 10.325 -5.490 -0.550 57 HB ILE 15 HB ILE 15 9.408 -3.652 -1.993 58 HG12 ILE 15 1HG1 ILE 15 7.523 -5.769 -2.990 59 HG13 ILE 15 2HG1 ILE 15 7.037 -4.553 -1.812 60 HG21 ILE 15 1HG2 ILE 15 9.866 -6.332 -3.303 61 HG22 ILE 15 2HG2 ILE 15 11.114 -5.189 -2.804 62 HG23 ILE 15 3HG2 ILE 15 9.997 -4.765 -4.101 63 HD11 ILE 15 3HD1 ILE 15 7.520 -2.799 -3.401 64 HD12 ILE 15 1HD1 ILE 15 6.374 -3.954 -4.078 65 HD13 ILE 15 2HD1 ILE 15 8.067 -3.993 -4.581 66 H THR 16 H THR 16 9.989 -3.184 0.129 67 HA THR 16 HA THR 16 7.924 -3.152 2.202 68 HB THR 16 HB THR 16 9.352 -1.444 3.307 69 HG1 THR 16 HG1 THR 16 11.665 -1.863 2.136 70 HG21 THR 16 3HG2 THR 16 10.726 -4.053 2.647 71 HG22 THR 16 1HG2 THR 16 9.555 -3.789 3.940 72 HG23 THR 16 2HG2 THR 16 11.128 -2.996 4.001 73 H CYS 17 H CYS 17 6.927 -1.110 2.719 74 HA CYS 17 HA CYS 17 5.995 0.265 0.424 75 HB2 CYS 17 1HB CYS 17 4.979 1.811 2.179 76 HB3 CYS 17 2HB CYS 17 4.502 0.116 2.243 77 H ALA 18 H ALA 18 8.600 0.784 2.645 78 HA ALA 18 HA ALA 18 9.140 3.490 2.103 79 HB1 ALA 18 3HB ALA 18 11.073 1.295 2.866 80 HB2 ALA 18 1HB ALA 18 10.143 2.283 3.992 81 HB3 ALA 18 2HB ALA 18 11.377 3.028 2.977 82 H GLU 19 H GLU 19 10.486 0.493 0.700 83 HA GLU 19 HA GLU 19 12.038 1.806 -1.263 84 HB2 GLU 19 1HB GLU 19 12.476 -0.494 -0.472 85 HB3 GLU 19 2HB GLU 19 10.985 -1.030 -1.234 86 HG2 GLU 19 1HG GLU 19 11.865 -0.543 -3.416 87 HG3 GLU 19 2HG GLU 19 13.311 0.177 -2.711 88 H ALA 20 H ALA 20 8.710 0.873 -1.097 89 HA ALA 20 HA ALA 20 8.070 0.858 -3.830 90 HB1 ALA 20 3HB ALA 20 5.762 1.176 -3.128 91 HB2 ALA 20 1HB ALA 20 6.301 1.654 -1.517 92 HB3 ALA 20 2HB ALA 20 6.568 0.006 -2.083 93 H ASN 21 H ASN 21 8.686 3.462 -1.619 94 HA ASN 21 HA ASN 21 7.442 5.551 -3.132 95 HB2 ASN 21 1HB ASN 21 8.065 5.744 -0.693 96 HB3 ASN 21 2HB ASN 21 9.756 5.769 -1.170 97 HD21 ASN 21 2HD2 ASN 21 8.199 7.764 0.277 98 HD22 ASN 21 1HD2 ASN 21 8.303 9.225 -0.642 99 H GLU 22 H GLU 22 10.677 4.244 -2.843 100 HA GLU 22 HA GLU 22 12.028 5.864 -4.644 101 HB2 GLU 22 1HB GLU 22 13.058 4.132 -3.160 102 HB3 GLU 22 2HB GLU 22 12.468 2.900 -4.264 103 HG2 GLU 22 1HG GLU 22 14.761 3.305 -4.730 104 HG3 GLU 22 2HG GLU 22 13.797 3.943 -6.062 105 H MET 23 H MET 23 10.343 2.762 -5.286 106 HA MET 23 HA MET 23 10.620 2.791 -8.062 107 HB2 MET 23 1HB MET 23 9.801 0.793 -6.979 108 HB3 MET 23 2HB MET 23 8.385 1.647 -6.372 109 HG2 MET 23 1HG MET 23 7.697 2.026 -8.751 110 HG3 MET 23 2HG MET 23 9.016 0.969 -9.240 111 HE1 MET 23 3HE MET 23 9.051 -1.363 -7.205 112 HE2 MET 23 1HE MET 23 9.031 -1.599 -8.953 113 HE3 MET 23 2HE MET 23 7.907 -2.495 -7.931 114 H ALA 24 H ALA 24 7.984 4.017 -6.072 115 HA ALA 24 HA ALA 24 6.238 4.958 -7.950 116 HB1 ALA 24 3HB ALA 24 6.917 6.424 -5.408 117 HB2 ALA 24 1HB ALA 24 5.827 5.043 -5.532 118 HB3 ALA 24 2HB ALA 24 5.421 6.563 -6.330 119 H LYS 25 H LYS 25 9.253 6.480 -7.041 120 HA LYS 25 HA LYS 25 8.786 8.968 -8.288 121 HB2 LYS 25 1HB LYS 25 11.431 7.615 -7.762 122 HB3 LYS 25 2HB LYS 25 11.193 9.325 -8.102 123 HG2 LYS 25 1HG LYS 25 9.873 9.543 -6.052 124 HG3 LYS 25 2HG LYS 25 10.144 7.835 -5.705 125 HD2 LYS 25 1HD LYS 25 12.594 8.300 -5.711 126 HD3 LYS 25 2HD LYS 25 12.217 10.017 -5.869 127 HE2 LYS 25 1HE LYS 25 11.407 8.199 -3.601 128 HE3 LYS 25 2HE LYS 25 12.642 9.452 -3.549 129 HZ1 LYS 25 3HZ LYS 25 10.866 11.087 -4.025 130 HZ2 LYS 25 1HZ LYS 25 10.646 10.269 -2.559 131 HZ3 LYS 25 2HZ LYS 25 9.721 9.845 -3.901 132 H THR 26 H THR 26 9.553 5.900 -9.627 133 HA THR 26 HA THR 26 9.983 7.203 -12.231 134 HB THR 26 HB THR 26 12.044 6.063 -11.618 135 HG1 THR 26 HG1 THR 26 10.977 4.253 -13.479 136 HG21 THR 26 3HG2 THR 26 10.372 3.554 -11.371 137 HG22 THR 26 1HG2 THR 26 11.161 4.409 -10.047 138 HG23 THR 26 2HG2 THR 26 12.132 3.623 -11.292 139 H ASP 27 H ASP 27 8.424 4.603 -10.491 140 HA ASP 27 HA ASP 27 6.557 4.284 -12.733 141 HB2 ASP 27 1HB ASP 27 7.832 2.142 -11.044 142 HB3 ASP 27 2HB ASP 27 6.309 1.864 -11.880 143 H SER 28 H SER 28 5.638 6.044 -11.250 144 HA SER 28 HA SER 28 4.560 5.432 -8.736 145 HB2 SER 28 1HB SER 28 4.797 7.731 -9.636 146 HB3 SER 28 2HB SER 28 3.510 7.393 -10.793 147 HG SER 28 HG SER 28 3.327 8.177 -8.237 148 H ALA 29 H ALA 29 3.313 5.013 -11.976 149 HA ALA 29 HA ALA 29 0.667 4.360 -11.303 150 HB1 ALA 29 3HB ALA 29 0.495 3.427 -13.537 151 HB2 ALA 29 1HB ALA 29 2.250 3.445 -13.694 152 HB3 ALA 29 2HB ALA 29 1.360 4.964 -13.568 153 H GLN 30 H GLN 30 3.595 2.398 -11.414 154 HA GLN 30 HA GLN 30 2.254 -0.095 -11.298 155 HB2 GLN 30 1HB GLN 30 5.081 0.720 -10.659 156 HB3 GLN 30 2HB GLN 30 4.515 -0.939 -10.526 157 HG2 GLN 30 1HG GLN 30 4.458 0.720 -13.033 158 HG3 GLN 30 2HG GLN 30 5.664 -0.508 -12.644 159 HE21 GLN 30 2HE2 GLN 30 5.077 -2.674 -12.688 160 HE22 GLN 30 1HE2 GLN 30 3.632 -3.221 -13.468 161 H VAL 31 H VAL 31 3.438 2.151 -8.887 162 HA VAL 31 HA VAL 31 3.039 0.322 -6.707 163 HB VAL 31 HB VAL 31 3.348 3.333 -6.586 164 HG11 VAL 31 1HG1 VAL 31 3.796 1.194 -4.505 165 HG12 VAL 31 2HG1 VAL 31 2.477 2.361 -4.532 166 HG13 VAL 31 3HG1 VAL 31 4.136 2.912 -4.298 167 HG21 VAL 31 3HG2 VAL 31 5.465 1.189 -6.455 168 HG22 VAL 31 1HG2 VAL 31 5.728 2.909 -6.169 169 HG23 VAL 31 2HG2 VAL 31 5.234 2.346 -7.766 170 H ALA 32 H ALA 32 1.265 2.869 -8.309 171 HA ALA 32 HA ALA 32 -0.796 3.109 -6.359 172 HB1 ALA 32 3HB ALA 32 -1.955 4.443 -8.027 173 HB2 ALA 32 1HB ALA 32 -0.824 3.905 -9.270 174 HB3 ALA 32 2HB ALA 32 -0.256 4.911 -7.938 175 H GLU 33 H GLU 33 -0.333 1.170 -9.266 176 HA GLU 33 HA GLU 33 -3.003 0.164 -9.210 177 HB2 GLU 33 1HB GLU 33 -0.561 -0.668 -10.755 178 HB3 GLU 33 2HB GLU 33 -2.088 -1.530 -10.868 179 HG2 GLU 33 1HG GLU 33 -3.156 0.631 -11.542 180 HG3 GLU 33 2HG GLU 33 -1.538 1.326 -11.631 181 H ILE 34 H ILE 34 0.081 -0.949 -7.893 182 HA ILE 34 HA ILE 34 -0.804 -3.595 -7.349 183 HB ILE 34 HB ILE 34 1.449 -1.980 -6.133 184 HG12 ILE 34 1HG1 ILE 34 1.446 -4.323 -8.051 185 HG13 ILE 34 2HG1 ILE 34 1.702 -2.642 -8.499 186 HG21 ILE 34 1HG2 ILE 34 2.246 -4.076 -5.123 187 HG22 ILE 34 2HG2 ILE 34 0.779 -4.888 -5.667 188 HG23 ILE 34 3HG2 ILE 34 0.679 -3.592 -4.474 189 HD11 ILE 34 3HD1 ILE 34 3.480 -4.275 -6.703 190 HD12 ILE 34 1HD1 ILE 34 3.745 -2.595 -7.164 191 HD13 ILE 34 2HD1 ILE 34 3.800 -3.864 -8.388 192 H VAL 35 H VAL 35 -0.526 -0.695 -5.312 193 HA VAL 35 HA VAL 35 -1.683 -1.832 -3.035 194 HB VAL 35 HB VAL 35 -2.116 0.445 -2.259 195 HG11 VAL 35 1HG1 VAL 35 0.115 -0.459 -1.999 196 HG12 VAL 35 2HG1 VAL 35 0.186 1.275 -2.298 197 HG13 VAL 35 3HG1 VAL 35 0.563 0.140 -3.596 198 HG21 VAL 35 3HG2 VAL 35 -1.538 2.387 -3.644 199 HG22 VAL 35 1HG2 VAL 35 -2.877 1.465 -4.327 200 HG23 VAL 35 2HG2 VAL 35 -1.261 1.310 -5.014 201 H ALA 36 H ALA 36 -3.124 -0.723 -5.966 202 HA ALA 36 HA ALA 36 -5.770 -0.482 -4.862 203 HB1 ALA 36 3HB ALA 36 -6.481 -0.087 -7.156 204 HB2 ALA 36 1HB ALA 36 -4.886 -0.554 -7.746 205 HB3 ALA 36 2HB ALA 36 -5.072 0.900 -6.767 206 H VAL 37 H VAL 37 -4.107 -2.751 -7.058 207 HA VAL 37 HA VAL 37 -6.165 -4.530 -7.493 208 HB VAL 37 HB VAL 37 -3.207 -5.132 -7.245 209 HG11 VAL 37 1HG1 VAL 37 -4.486 -7.183 -6.895 210 HG12 VAL 37 2HG1 VAL 37 -3.668 -7.209 -8.457 211 HG13 VAL 37 3HG1 VAL 37 -5.398 -6.876 -8.374 212 HG21 VAL 37 3HG2 VAL 37 -3.279 -5.132 -9.699 213 HG22 VAL 37 1HG2 VAL 37 -3.786 -3.578 -9.033 214 HG23 VAL 37 2HG2 VAL 37 -4.990 -4.711 -9.644 215 H MET 38 H MET 38 -3.570 -5.289 -5.048 216 HA MET 38 HA MET 38 -5.189 -7.171 -3.780 217 HB2 MET 38 1HB MET 38 -2.600 -6.802 -3.771 218 HB3 MET 38 2HB MET 38 -2.927 -5.748 -2.407 219 HG2 MET 38 1HG MET 38 -3.749 -8.645 -2.539 220 HG3 MET 38 2HG MET 38 -2.255 -8.075 -1.805 221 HE1 MET 38 3HE MET 38 -2.130 -6.673 0.411 222 HE2 MET 38 1HE MET 38 -3.537 -6.050 1.272 223 HE3 MET 38 2HE MET 38 -3.124 -5.414 -0.318 224 H GLY 39 H GLY 39 -4.542 -3.761 -3.101 225 HA2 GLY 39 1HA GLY 39 -5.624 -3.574 -0.547 226 HA3 GLY 39 2HA GLY 39 -5.556 -2.257 -1.704 227 H ASN 40 H ASN 40 -7.275 -2.931 -3.605 228 HA ASN 40 HA ASN 40 -9.771 -2.324 -2.471 229 HB2 ASN 40 1HB ASN 40 -10.528 -2.062 -4.602 230 HB3 ASN 40 2HB ASN 40 -8.827 -2.241 -5.006 231 HD21 ASN 40 2HD2 ASN 40 -8.119 -4.152 -5.906 232 HD22 ASN 40 1HD2 ASN 40 -9.195 -5.304 -6.616 233 H ALA 41 H ALA 41 -8.461 -5.441 -3.485 234 HA ALA 41 HA ALA 41 -10.802 -6.932 -2.893 235 HB1 ALA 41 3HB ALA 41 -9.028 -7.781 -4.362 236 HB2 ALA 41 1HB ALA 41 -9.360 -8.896 -3.035 237 HB3 ALA 41 2HB ALA 41 -7.931 -7.865 -2.982 238 H SER 42 H SER 42 -7.961 -6.046 -1.063 239 HA SER 42 HA SER 42 -8.457 -7.611 1.228 240 HB2 SER 42 1HB SER 42 -6.277 -6.469 0.639 241 HB3 SER 42 2HB SER 42 -7.004 -4.958 1.185 242 HG SER 42 HG SER 42 -7.019 -5.680 3.238 243 H VAL 43 H VAL 43 -9.074 -4.100 0.709 244 HA VAL 43 HA VAL 43 -10.455 -3.691 3.081 245 HB VAL 43 HB VAL 43 -11.433 -1.685 2.065 246 HG11 VAL 43 1HG1 VAL 43 -8.551 -2.129 1.316 247 HG12 VAL 43 2HG1 VAL 43 -9.164 -1.550 2.865 248 HG13 VAL 43 3HG1 VAL 43 -9.347 -0.559 1.419 249 HG21 VAL 43 3HG2 VAL 43 -11.995 -2.546 -0.137 250 HG22 VAL 43 1HG2 VAL 43 -10.284 -2.717 -0.525 251 HG23 VAL 43 2HG2 VAL 43 -10.976 -1.113 -0.284 252 H ALA 44 H ALA 44 -11.733 -4.826 -0.072 253 HA ALA 44 HA ALA 44 -14.410 -4.776 0.786 254 HB1 ALA 44 3HB ALA 44 -13.115 -6.303 -1.471 255 HB2 ALA 44 1HB ALA 44 -13.765 -4.669 -1.569 256 HB3 ALA 44 2HB ALA 44 -14.847 -6.028 -1.270 257 H SER 45 H SER 45 -11.847 -6.830 1.576 258 HA SER 45 HA SER 45 -13.370 -9.244 1.773 259 HB2 SER 45 1HB SER 45 -10.965 -9.321 1.318 260 HB3 SER 45 2HB SER 45 -10.636 -8.565 2.875 261 HG SER 45 HG SER 45 -11.710 -10.426 3.833 262 H ARG 46 H ARG 46 -12.595 -6.604 3.950 263 HA ARG 46 HA ARG 46 -13.819 -8.182 6.131 264 HB2 ARG 46 1HB ARG 46 -11.832 -5.919 6.300 265 HB3 ARG 46 2HB ARG 46 -12.594 -6.687 7.685 266 HG2 ARG 46 1HG ARG 46 -11.483 -8.734 7.278 267 HG3 ARG 46 2HG ARG 46 -10.942 -8.199 5.684 268 HD2 ARG 46 1HD ARG 46 -9.121 -8.103 7.287 269 HD3 ARG 46 2HD ARG 46 -9.555 -6.489 6.735 270 HE ARG 46 HE ARG 46 -10.192 -7.629 9.374 271 HH11 ARG 46 1HH1 ARG 46 -9.823 -4.819 7.281 272 HH12 ARG 46 2HH1 ARG 46 -9.898 -3.687 8.580 273 HH21 ARG 46 1HH2 ARG 46 -10.252 -6.114 11.090 274 HH22 ARG 46 2HH2 ARG 46 -10.127 -4.421 10.756 275 H ASP 47 H ASP 47 -14.016 -5.309 4.280 276 HA ASP 47 HA ASP 47 -16.152 -4.349 6.043 277 HB2 ASP 47 1HB ASP 47 -14.360 -2.775 4.194 278 HB3 ASP 47 2HB ASP 47 -15.687 -2.098 5.132 279 H LEU 48 H LEU 48 -15.115 -4.443 2.654 280 HA LEU 48 HA LEU 48 -16.251 -4.815 0.706 281 HB2 LEU 48 1HB LEU 48 -17.478 -6.564 1.971 282 HB3 LEU 48 2HB LEU 48 -18.669 -5.366 2.430 283 HG LEU 48 HG LEU 48 -19.244 -5.076 0.028 284 HD11 LEU 48 1HD1 LEU 48 -17.152 -5.777 -0.970 285 HD12 LEU 48 2HD1 LEU 48 -18.480 -6.773 -1.569 286 HD13 LEU 48 3HD1 LEU 48 -17.379 -7.410 -0.348 287 HD21 LEU 48 3HD2 LEU 48 -19.459 -7.883 1.109 288 HD22 LEU 48 1HD2 LEU 48 -20.448 -7.201 -0.183 289 HD23 LEU 48 2HD2 LEU 48 -20.560 -6.548 1.451 290 H LYS 49 H LYS 49 -17.658 -2.723 3.081 291 HA LYS 49 HA LYS 49 -19.106 -1.169 1.120 292 HB2 LYS 49 1HB LYS 49 -18.740 -0.872 4.096 293 HB3 LYS 49 2HB LYS 49 -19.689 0.238 3.116 294 HG2 LYS 49 1HG LYS 49 -21.225 -1.492 2.521 295 HG3 LYS 49 2HG LYS 49 -20.217 -2.716 3.289 296 HD2 LYS 49 1HD LYS 49 -21.455 -0.410 4.775 297 HD3 LYS 49 2HD LYS 49 -22.228 -1.987 4.607 298 HE2 LYS 49 1HE LYS 49 -20.216 -3.017 5.653 299 HE3 LYS 49 2HE LYS 49 -19.576 -1.399 5.923 300 HZ1 LYS 49 3HZ LYS 49 -21.513 -0.904 7.289 301 HZ2 LYS 49 1HZ LYS 49 -20.676 -2.242 7.890 302 HZ3 LYS 49 2HZ LYS 49 -22.114 -2.465 7.035 303 H ILE 50 H ILE 50 -15.973 -1.390 1.738 304 HA ILE 50 HA ILE 50 -15.368 1.444 1.787 305 HB ILE 50 HB ILE 50 -13.558 -1.000 1.645 306 HG12 ILE 50 1HG1 ILE 50 -14.036 1.094 3.782 307 HG13 ILE 50 2HG1 ILE 50 -14.572 -0.580 3.829 308 HG21 ILE 50 1HG2 ILE 50 -11.667 0.556 1.832 309 HG22 ILE 50 2HG2 ILE 50 -12.772 1.925 1.725 310 HG23 ILE 50 3HG2 ILE 50 -12.573 0.844 0.346 311 HD11 ILE 50 3HD1 ILE 50 -12.265 -1.332 3.925 312 HD12 ILE 50 1HD1 ILE 50 -12.607 -0.196 5.229 313 HD13 ILE 50 2HD1 ILE 50 -11.701 0.336 3.811 314 H GLU 51 H GLU 51 -15.388 2.613 0.003 315 HA GLU 51 HA GLU 51 -15.816 1.436 -2.533 316 HB2 GLU 51 1HB GLU 51 -15.813 3.729 -3.377 317 HB3 GLU 51 2HB GLU 51 -16.829 3.561 -1.955 318 HG2 GLU 51 1HG GLU 51 -15.077 4.541 -0.575 319 HG3 GLU 51 2HG GLU 51 -14.038 4.688 -1.991 320 H GLN 52 H GLN 52 -14.598 1.638 -4.383 321 HA GLN 52 HA GLN 52 -11.729 1.604 -3.915 322 HB2 GLN 52 1HB GLN 52 -13.324 0.831 -6.372 323 HB3 GLN 52 2HB GLN 52 -11.590 0.631 -6.176 324 HG2 GLN 52 1HG GLN 52 -12.534 -1.494 -5.804 325 HG3 GLN 52 2HG GLN 52 -12.111 -0.864 -4.211 326 HE21 GLN 52 2HE2 GLN 52 -13.561 -2.194 -3.178 327 HE22 GLN 52 1HE2 GLN 52 -15.266 -1.947 -3.244 328 H SER 53 H SER 53 -10.959 3.589 -3.937 329 HA SER 53 HA SER 53 -11.416 5.238 -6.286 330 HB2 SER 53 1HB SER 53 -11.811 6.223 -3.443 331 HB3 SER 53 2HB SER 53 -11.767 7.262 -4.868 332 HG SER 53 HG SER 53 -13.911 6.312 -3.931 333 HA PRO 54 HA PRO 54 -7.058 5.871 -6.204 334 HB2 PRO 54 1HB PRO 54 -6.938 8.580 -6.814 335 HB3 PRO 54 2HB PRO 54 -7.092 7.278 -7.995 336 HG2 PRO 54 1HG PRO 54 -9.210 9.026 -6.814 337 HG3 PRO 54 2HG PRO 54 -9.032 8.444 -8.480 338 HD2 PRO 54 1HD PRO 54 -10.799 7.337 -6.816 339 HD3 PRO 54 2HD PRO 54 -9.882 6.341 -7.967 340 H GLU 55 H GLU 55 -9.129 7.730 -4.179 341 HA GLU 55 HA GLU 55 -7.309 9.247 -2.698 342 HB2 GLU 55 1HB GLU 55 -9.830 7.900 -1.711 343 HB3 GLU 55 2HB GLU 55 -8.997 9.229 -0.921 344 HG2 GLU 55 1HG GLU 55 -9.485 10.679 -2.809 345 HG3 GLU 55 2HG GLU 55 -10.285 9.344 -3.637 346 H LEU 56 H LEU 56 -8.362 5.892 -2.350 347 HA LEU 56 HA LEU 56 -6.913 5.367 0.033 348 HB2 LEU 56 1HB LEU 56 -8.023 3.548 -2.106 349 HB3 LEU 56 2HB LEU 56 -7.185 2.940 -0.692 350 HG LEU 56 HG LEU 56 -8.956 4.074 0.717 351 HD11 LEU 56 1HD1 LEU 56 -10.361 4.328 -1.938 352 HD12 LEU 56 2HD1 LEU 56 -9.796 5.657 -0.927 353 HD13 LEU 56 3HD1 LEU 56 -11.085 4.600 -0.353 354 HD21 LEU 56 3HD2 LEU 56 -9.829 1.918 -1.198 355 HD22 LEU 56 1HD2 LEU 56 -10.601 2.302 0.341 356 HD23 LEU 56 2HD2 LEU 56 -8.950 1.681 0.314 357 H SER 57 H SER 57 -6.298 4.607 -3.382 358 HA SER 57 HA SER 57 -3.759 3.496 -3.082 359 HB2 SER 57 1HB SER 57 -4.781 4.990 -5.493 360 HB3 SER 57 2HB SER 57 -3.606 3.674 -5.456 361 HG SER 57 HG SER 57 -5.636 2.909 -6.068 362 H ALA 58 H ALA 58 -4.550 6.574 -2.302 363 HA ALA 58 HA ALA 58 -2.072 7.758 -3.336 364 HB1 ALA 58 3HB ALA 58 -3.060 9.930 -2.794 365 HB2 ALA 58 1HB ALA 58 -4.491 9.125 -2.148 366 HB3 ALA 58 2HB ALA 58 -4.117 9.012 -3.867 367 H LYS 59 H LYS 59 -3.956 7.059 -0.480 368 HA LYS 59 HA LYS 59 -2.116 8.370 1.298 369 HB2 LYS 59 1HB LYS 59 -4.416 6.516 1.921 370 HB3 LYS 59 2HB LYS 59 -3.537 7.494 3.088 371 HG2 LYS 59 1HG LYS 59 -4.292 9.525 1.926 372 HG3 LYS 59 2HG LYS 59 -5.211 8.522 0.807 373 HD2 LYS 59 1HD LYS 59 -6.700 9.362 2.499 374 HD3 LYS 59 2HD LYS 59 -6.487 7.630 2.744 375 HE2 LYS 59 1HE LYS 59 -4.936 8.028 4.541 376 HE3 LYS 59 2HE LYS 59 -4.959 9.761 4.228 377 HZ1 LYS 59 3HZ LYS 59 -6.345 9.174 6.113 378 HZ2 LYS 59 1HZ LYS 59 -7.272 8.143 5.149 379 HZ3 LYS 59 2HZ LYS 59 -7.288 9.804 4.865 380 H VAL 60 H VAL 60 -2.684 5.127 0.154 381 HA VAL 60 HA VAL 60 -1.123 3.766 2.087 382 HB VAL 60 HB VAL 60 -1.683 2.908 -0.766 383 HG11 VAL 60 1HG1 VAL 60 0.136 1.647 0.264 384 HG12 VAL 60 2HG1 VAL 60 -1.297 0.641 0.061 385 HG13 VAL 60 3HG1 VAL 60 -0.891 1.284 1.652 386 HG21 VAL 60 3HG2 VAL 60 -3.195 2.238 1.754 387 HG22 VAL 60 1HG2 VAL 60 -3.565 1.674 0.126 388 HG23 VAL 60 2HG2 VAL 60 -3.733 3.385 0.524 389 H VAL 61 H VAL 61 -0.257 5.487 -0.826 390 HA VAL 61 HA VAL 61 2.464 4.427 -0.636 391 HB VAL 61 HB VAL 61 1.501 4.235 -2.861 392 HG11 VAL 61 1HG1 VAL 61 1.218 7.234 -2.799 393 HG12 VAL 61 2HG1 VAL 61 -0.093 6.056 -2.809 394 HG13 VAL 61 3HG1 VAL 61 0.962 6.212 -4.213 395 HG21 VAL 61 3HG2 VAL 61 3.899 4.591 -2.719 396 HG22 VAL 61 1HG2 VAL 61 3.662 6.338 -2.750 397 HG23 VAL 61 2HG2 VAL 61 3.250 5.367 -4.163 398 H GLU 62 H GLU 62 0.721 7.519 -0.694 399 HA GLU 62 HA GLU 62 3.161 9.021 -0.428 400 HB2 GLU 62 1HB GLU 62 1.326 9.944 -1.707 401 HB3 GLU 62 2HB GLU 62 0.265 9.853 -0.311 402 HG2 GLU 62 1HG GLU 62 1.717 11.485 0.841 403 HG3 GLU 62 2HG GLU 62 2.669 11.625 -0.638 404 H LYS 63 H LYS 63 0.344 8.391 1.662 405 HA LYS 63 HA LYS 63 1.556 9.865 3.819 406 HB2 LYS 63 1HB LYS 63 -0.995 8.252 3.765 407 HB3 LYS 63 2HB LYS 63 -0.490 9.327 5.059 408 HG2 LYS 63 1HG LYS 63 -1.109 10.158 2.227 409 HG3 LYS 63 2HG LYS 63 -2.174 10.360 3.619 410 HD2 LYS 63 1HD LYS 63 -0.517 11.828 4.670 411 HD3 LYS 63 2HD LYS 63 0.559 11.606 3.290 412 HE2 LYS 63 1HE LYS 63 -1.091 12.637 1.820 413 HE3 LYS 63 2HE LYS 63 -2.199 12.824 3.177 414 HZ1 LYS 63 3HZ LYS 63 0.472 14.105 2.966 415 HZ2 LYS 63 1HZ LYS 63 -0.647 14.317 4.221 416 HZ3 LYS 63 2HZ LYS 63 -1.007 14.871 2.664 417 H LEU 64 H LEU 64 0.275 6.579 3.654 418 HA LEU 64 HA LEU 64 1.282 5.459 5.907 419 HB2 LEU 64 1HB LEU 64 -0.024 4.409 3.894 420 HB3 LEU 64 2HB LEU 64 1.557 3.867 3.383 421 HG LEU 64 HG LEU 64 0.291 2.126 4.585 422 HD11 LEU 64 1HD1 LEU 64 2.725 3.044 6.098 423 HD12 LEU 64 2HD1 LEU 64 2.725 2.058 4.637 424 HD13 LEU 64 3HD1 LEU 64 2.027 1.426 6.129 425 HD21 LEU 64 3HD2 LEU 64 0.518 3.950 6.976 426 HD22 LEU 64 1HD2 LEU 64 -0.124 2.310 6.972 427 HD23 LEU 64 2HD2 LEU 64 -0.965 3.586 6.095 428 H ASN 65 H ASN 65 3.211 6.204 3.073 429 HA ASN 65 HA ASN 65 5.521 4.729 3.686 430 HB2 ASN 65 1HB ASN 65 5.164 5.648 1.474 431 HB3 ASN 65 2HB ASN 65 5.221 7.291 2.101 432 HD21 ASN 65 2HD2 ASN 65 7.066 4.449 1.298 433 HD22 ASN 65 1HD2 ASN 65 8.613 5.216 1.309 434 H GLN 66 H GLN 66 4.226 7.264 5.328 435 HA GLN 66 HA GLN 66 6.703 8.493 6.247 436 HB2 GLN 66 1HB GLN 66 5.395 9.920 7.637 437 HB3 GLN 66 2HB GLN 66 4.475 9.735 6.153 438 HG2 GLN 66 1HG GLN 66 3.201 7.897 7.383 439 HG3 GLN 66 2HG GLN 66 3.941 8.541 8.848 440 HE21 GLN 66 2HE2 GLN 66 1.747 9.114 6.271 441 HE22 GLN 66 1HE2 GLN 66 0.934 10.476 6.953 442 H VAL 67 H VAL 67 4.353 6.150 7.369 443 HA VAL 67 HA VAL 67 5.541 5.555 9.847 444 HB VAL 67 HB VAL 67 3.962 3.684 8.055 445 HG11 VAL 67 1HG1 VAL 67 4.451 3.592 11.032 446 HG12 VAL 67 2HG1 VAL 67 5.172 2.519 9.833 447 HG13 VAL 67 3HG1 VAL 67 3.431 2.482 10.116 448 HG21 VAL 67 3HG2 VAL 67 2.999 5.539 10.235 449 HG22 VAL 67 1HG2 VAL 67 2.006 4.369 9.370 450 HG23 VAL 67 2HG2 VAL 67 2.713 5.732 8.505 451 H CYS 68 H CYS 68 5.929 4.068 6.590 452 HA CYS 68 HA CYS 68 7.811 2.162 7.193 453 HB2 CYS 68 1HB CYS 68 7.977 3.805 4.691 454 HB3 CYS 68 2HB CYS 68 8.189 2.068 4.897 455 H ALA 69 H ALA 69 8.265 5.566 6.354 456 HA ALA 69 HA ALA 69 11.037 5.705 6.432 457 HB1 ALA 69 3HB ALA 69 10.795 8.086 6.857 458 HB2 ALA 69 1HB ALA 69 9.118 7.844 7.351 459 HB3 ALA 69 2HB ALA 69 9.599 7.545 5.680 460 H LYS 70 H LYS 70 8.860 5.239 9.058 461 HA LYS 70 HA LYS 70 10.874 5.954 11.061 462 HB2 LYS 70 1HB LYS 70 8.039 4.989 11.456 463 HB3 LYS 70 2HB LYS 70 9.107 5.615 12.699 464 HG2 LYS 70 1HG LYS 70 9.090 7.799 11.622 465 HG3 LYS 70 2HG LYS 70 8.026 7.167 10.363 466 HD2 LYS 70 1HD LYS 70 6.366 6.607 12.114 467 HD3 LYS 70 2HD LYS 70 7.417 7.371 13.307 468 HE2 LYS 70 1HE LYS 70 7.261 9.478 12.047 469 HE3 LYS 70 2HE LYS 70 6.149 8.694 10.923 470 HZ1 LYS 70 3HZ LYS 70 4.940 9.953 12.576 471 HZ2 LYS 70 1HZ LYS 70 5.693 9.105 13.825 472 HZ3 LYS 70 2HZ LYS 70 4.637 8.306 12.784 473 H ASP 71 H ASP 71 9.544 3.225 9.438 474 HA ASP 71 HA ASP 71 11.245 1.418 10.928 475 HB2 ASP 71 1HB ASP 71 9.099 1.396 12.196 476 HB3 ASP 71 2HB ASP 71 8.265 0.905 10.727 477 HA PRO 72 HA PRO 72 11.390 0.586 6.467 478 HB2 PRO 72 1HB PRO 72 13.797 -0.939 7.200 479 HB3 PRO 72 2HB PRO 72 13.627 0.429 6.096 480 HG2 PRO 72 1HG PRO 72 14.845 0.685 8.474 481 HG3 PRO 72 2HG PRO 72 13.866 1.990 7.780 482 HD2 PRO 72 1HD PRO 72 13.147 0.012 9.915 483 HD3 PRO 72 2HD PRO 72 12.823 1.761 9.836 484 H GLN 73 H GLN 73 11.073 -1.619 9.081 485 HA GLN 73 HA GLN 73 11.162 -4.013 7.533 486 HB2 GLN 73 1HB GLN 73 10.176 -3.406 10.311 487 HB3 GLN 73 2HB GLN 73 10.078 -5.011 9.607 488 HG2 GLN 73 1HG GLN 73 12.007 -4.869 11.036 489 HG3 GLN 73 2HG GLN 73 12.532 -5.028 9.364 490 HE21 GLN 73 2HE2 GLN 73 12.253 -2.881 12.087 491 HE22 GLN 73 1HE2 GLN 73 13.389 -1.706 11.529 492 H MET 74 H MET 74 8.927 -1.584 7.593 493 HA MET 74 HA MET 74 6.518 -3.118 7.569 494 HB2 MET 74 1HB MET 74 6.617 -0.716 8.202 495 HB3 MET 74 2HB MET 74 6.981 -0.319 6.531 496 HG2 MET 74 1HG MET 74 4.645 0.076 7.016 497 HG3 MET 74 2HG MET 74 4.824 -1.220 5.836 498 HE1 MET 74 3HE MET 74 4.119 -0.347 9.597 499 HE2 MET 74 1HE MET 74 5.443 -1.505 9.727 500 HE3 MET 74 2HE MET 74 3.830 -1.944 10.289 501 H LEU 75 H LEU 75 6.224 -4.589 6.038 502 HA LEU 75 HA LEU 75 7.243 -4.413 3.374 503 HB2 LEU 75 1HB LEU 75 5.132 -6.231 4.533 504 HB3 LEU 75 2HB LEU 75 5.898 -6.435 2.971 505 HG LEU 75 HG LEU 75 7.327 -6.575 5.626 506 HD11 LEU 75 1HD1 LEU 75 5.795 -8.442 5.336 507 HD12 LEU 75 2HD1 LEU 75 7.470 -8.976 5.190 508 HD13 LEU 75 3HD1 LEU 75 6.481 -8.772 3.744 509 HD21 LEU 75 3HD2 LEU 75 8.266 -7.174 2.820 510 HD22 LEU 75 1HD2 LEU 75 9.188 -7.470 4.295 511 HD23 LEU 75 2HD2 LEU 75 8.781 -5.821 3.826 512 H LEU 76 H LEU 76 5.921 -4.445 1.429 513 HA LEU 76 HA LEU 76 4.195 -2.238 1.288 514 HB2 LEU 76 1HB LEU 76 5.456 -3.080 -0.629 515 HB3 LEU 76 2HB LEU 76 4.482 -4.541 -0.640 516 HG LEU 76 HG LEU 76 2.488 -3.177 -1.180 517 HD11 LEU 76 1HD1 LEU 76 2.789 -0.857 -1.909 518 HD12 LEU 76 2HD1 LEU 76 4.471 -0.915 -1.382 519 HD13 LEU 76 3HD1 LEU 76 3.169 -1.066 -0.200 520 HD21 LEU 76 3HD2 LEU 76 3.109 -2.698 -3.496 521 HD22 LEU 76 1HD2 LEU 76 3.766 -4.243 -2.959 522 HD23 LEU 76 2HD2 LEU 76 4.813 -2.828 -3.067 523 H ILE 77 H ILE 77 3.439 -5.710 1.248 524 HA ILE 77 HA ILE 77 0.649 -5.424 1.065 525 HB ILE 77 HB ILE 77 2.317 -7.667 2.213 526 HG12 ILE 77 1HG1 ILE 77 2.584 -7.269 -0.192 527 HG13 ILE 77 2HG1 ILE 77 1.775 -8.803 0.112 528 HG21 ILE 77 1HG2 ILE 77 0.101 -7.727 3.237 529 HG22 ILE 77 2HG2 ILE 77 0.317 -9.069 2.114 530 HG23 ILE 77 3HG2 ILE 77 -0.646 -7.671 1.640 531 HD11 ILE 77 3HD1 ILE 77 -0.390 -7.670 -0.349 532 HD12 ILE 77 1HD1 ILE 77 0.707 -7.720 -1.727 533 HD13 ILE 77 2HD1 ILE 77 0.519 -6.229 -0.808 534 H THR 78 H THR 78 2.800 -5.602 3.843 535 HA THR 78 HA THR 78 0.798 -5.695 5.825 536 HB THR 78 HB THR 78 3.537 -4.452 6.161 537 HG1 THR 78 HG1 THR 78 2.736 -7.191 6.043 538 HG21 THR 78 3HG2 THR 78 3.333 -5.346 8.442 539 HG22 THR 78 1HG2 THR 78 1.743 -5.998 8.047 540 HG23 THR 78 2HG2 THR 78 1.998 -4.254 8.071 541 H ALA 79 H ALA 79 2.594 -3.030 4.348 542 HA ALA 79 HA ALA 79 1.514 -0.858 5.650 543 HB1 ALA 79 3HB ALA 79 1.968 0.420 3.597 544 HB2 ALA 79 1HB ALA 79 2.189 -1.093 2.721 545 HB3 ALA 79 2HB ALA 79 3.301 -0.656 4.019 546 H ILE 80 H ILE 80 0.226 -2.443 2.727 547 HA ILE 80 HA ILE 80 -2.078 -0.861 2.446 548 HB ILE 80 HB ILE 80 -1.801 -3.782 1.694 549 HG12 ILE 80 1HG1 ILE 80 -1.188 -1.340 0.015 550 HG13 ILE 80 2HG1 ILE 80 0.031 -2.348 0.783 551 HG21 ILE 80 1HG2 ILE 80 -4.096 -2.988 1.618 552 HG22 ILE 80 2HG2 ILE 80 -3.486 -3.250 -0.016 553 HG23 ILE 80 3HG2 ILE 80 -3.608 -1.613 0.628 554 HD11 ILE 80 3HD1 ILE 80 -0.211 -2.883 -1.573 555 HD12 ILE 80 1HD1 ILE 80 -1.924 -3.233 -1.329 556 HD13 ILE 80 2HD1 ILE 80 -0.700 -4.247 -0.567 557 H ASP 81 H ASP 81 -1.563 -3.938 4.107 558 HA ASP 81 HA ASP 81 -4.157 -4.434 5.008 559 HB2 ASP 81 1HB ASP 81 -2.212 -6.019 5.108 560 HB3 ASP 81 2HB ASP 81 -1.579 -5.087 6.456 561 H ASP 82 H ASP 82 -1.512 -2.650 6.553 562 HA ASP 82 HA ASP 82 -2.934 -2.079 8.934 563 HB2 ASP 82 1HB ASP 82 -0.415 -2.005 8.590 564 HB3 ASP 82 2HB ASP 82 -0.660 -0.430 7.843 565 H THR 83 H THR 83 -2.738 -0.444 5.826 566 HA THR 83 HA THR 83 -3.763 2.046 6.713 567 HB THR 83 HB THR 83 -3.940 0.892 3.912 568 HG1 THR 83 HG1 THR 83 -1.752 0.976 4.743 569 HG21 THR 83 3HG2 THR 83 -3.994 3.733 4.955 570 HG22 THR 83 1HG2 THR 83 -5.348 2.859 4.241 571 HG23 THR 83 2HG2 THR 83 -3.951 3.288 3.253 572 H MET 84 H MET 84 -5.262 -0.878 5.361 573 HA MET 84 HA MET 84 -7.875 0.243 5.203 574 HB2 MET 84 1HB MET 84 -8.692 -1.973 4.793 575 HB3 MET 84 2HB MET 84 -7.133 -1.857 3.990 576 HG2 MET 84 1HG MET 84 -6.080 -3.082 5.732 577 HG3 MET 84 2HG MET 84 -7.549 -3.047 6.702 578 HE1 MET 84 3HE MET 84 -6.108 -5.667 6.390 579 HE2 MET 84 1HE MET 84 -7.448 -6.752 5.991 580 HE3 MET 84 2HE MET 84 -7.682 -5.446 7.162 581 H ARG 85 H ARG 85 -6.030 -1.299 7.767 582 HA ARG 85 HA ARG 85 -8.185 -1.693 9.566 583 HB2 ARG 85 1HB ARG 85 -5.244 -1.241 10.149 584 HB3 ARG 85 2HB ARG 85 -6.426 -1.850 11.297 585 HG2 ARG 85 1HG ARG 85 -6.727 -3.853 9.983 586 HG3 ARG 85 2HG ARG 85 -5.651 -3.227 8.734 587 HD2 ARG 85 1HD ARG 85 -4.385 -4.759 10.046 588 HD3 ARG 85 2HD ARG 85 -3.844 -3.139 10.476 589 HE ARG 85 HE ARG 85 -5.905 -4.042 12.210 590 HH11 ARG 85 1HH1 ARG 85 -2.467 -4.335 11.573 591 HH12 ARG 85 2HH1 ARG 85 -2.070 -4.802 13.190 592 HH21 ARG 85 1HH2 ARG 85 -5.388 -4.689 14.348 593 HH22 ARG 85 2HH2 ARG 85 -3.744 -5.008 14.779 594 H ALA 86 H ALA 86 -5.833 0.904 9.085 595 HA ALA 86 HA ALA 86 -6.752 2.638 11.073 596 HB1 ALA 86 3HB ALA 86 -5.487 3.343 8.425 597 HB2 ALA 86 1HB ALA 86 -4.618 2.930 9.903 598 HB3 ALA 86 2HB ALA 86 -5.597 4.396 9.835 599 H ILE 87 H ILE 87 -7.868 2.089 7.756 600 HA ILE 87 HA ILE 87 -9.689 4.262 7.728 601 HB ILE 87 HB ILE 87 -9.648 1.727 6.069 602 HG12 ILE 87 1HG1 ILE 87 -8.720 4.532 5.411 603 HG13 ILE 87 2HG1 ILE 87 -7.662 3.182 5.808 604 HG21 ILE 87 1HG2 ILE 87 -11.232 4.264 5.653 605 HG22 ILE 87 2HG2 ILE 87 -11.886 2.689 6.102 606 HG23 ILE 87 3HG2 ILE 87 -11.138 2.914 4.520 607 HD11 ILE 87 3HD1 ILE 87 -7.740 3.578 3.414 608 HD12 ILE 87 1HD1 ILE 87 -9.488 3.356 3.419 609 HD13 ILE 87 2HD1 ILE 87 -8.430 2.003 3.809 610 H GLY 88 H GLY 88 -10.045 0.749 8.352 611 HA2 GLY 88 1HA GLY 88 -11.958 -0.479 8.863 612 HA3 GLY 88 2HA GLY 88 -11.727 0.483 10.308 613 H LYS 89 H LYS 89 -13.746 -0.128 7.606 614 HA LYS 89 HA LYS 89 -15.295 2.287 7.737 615 HB2 LYS 89 1HB LYS 89 -15.223 0.898 5.693 616 HB3 LYS 89 2HB LYS 89 -16.067 -0.386 6.547 617 HG2 LYS 89 1HG LYS 89 -17.638 0.790 5.171 618 HG3 LYS 89 2HG LYS 89 -17.989 1.152 6.862 619 HD2 LYS 89 1HD LYS 89 -16.756 3.278 6.635 620 HD3 LYS 89 2HD LYS 89 -16.476 2.917 4.932 621 HE2 LYS 89 1HE LYS 89 -18.949 2.827 4.619 622 HE3 LYS 89 2HE LYS 89 -19.134 3.361 6.289 623 HZ1 LYS 89 3HZ LYS 89 -19.295 5.228 4.790 624 HZ2 LYS 89 1HZ LYS 89 -17.795 4.865 4.106 625 HZ3 LYS 89 2HZ LYS 89 -17.889 5.381 5.710 626 H LYS 90 H LYS 90 -16.693 2.828 9.264 627 HA LYS 90 HA LYS 90 -17.721 0.733 11.024 628 HB2 LYS 90 1HB LYS 90 -17.674 3.741 11.345 629 HB3 LYS 90 2HB LYS 90 -18.375 2.626 12.511 630 HG2 LYS 90 1HG LYS 90 -16.178 1.587 12.825 631 HG3 LYS 90 2HG LYS 90 -15.484 2.734 11.677 632 HD2 LYS 90 1HD LYS 90 -16.090 4.588 13.141 633 HD3 LYS 90 2HD LYS 90 -16.845 3.462 14.274 634 HE2 LYS 90 1HE LYS 90 -14.674 2.367 14.614 635 HE3 LYS 90 2HE LYS 90 -13.929 3.513 13.502 636 HZ1 LYS 90 3HZ LYS 90 -13.588 4.118 15.817 637 HZ2 LYS 90 1HZ LYS 90 -15.257 4.224 16.059 638 HZ3 LYS 90 2HZ LYS 90 -14.484 5.298 15.007 Start of MODEL 16 1 H ASN 7 H ASN 7 5.955 -19.939 0.046 2 HA ASN 7 HA ASN 7 8.744 -19.422 0.841 3 HB2 ASN 7 1HB ASN 7 9.390 -21.388 -0.498 4 HB3 ASN 7 2HB ASN 7 8.281 -21.812 0.802 5 HD21 ASN 7 2HD2 ASN 7 8.935 -23.011 -1.878 6 HD22 ASN 7 1HD2 ASN 7 7.389 -23.229 -2.617 7 H GLY 8 H GLY 8 6.396 -19.303 -1.765 8 HA2 GLY 8 1HA GLY 8 8.411 -18.100 -3.531 9 HA3 GLY 8 2HA GLY 8 6.851 -18.744 -4.035 10 H LEU 9 H LEU 9 8.386 -16.159 -2.237 11 HA LEU 9 HA LEU 9 5.932 -14.614 -2.266 12 HB2 LEU 9 1HB LEU 9 8.638 -14.068 -1.054 13 HB3 LEU 9 2HB LEU 9 7.310 -12.931 -1.001 14 HG LEU 9 HG LEU 9 5.987 -14.700 0.239 15 HD11 LEU 9 1HD1 LEU 9 8.696 -15.999 0.472 16 HD12 LEU 9 2HD1 LEU 9 7.302 -16.653 -0.382 17 HD13 LEU 9 3HD1 LEU 9 7.249 -16.460 1.368 18 HD21 LEU 9 3HD2 LEU 9 8.505 -13.647 1.519 19 HD22 LEU 9 1HD2 LEU 9 7.079 -14.227 2.378 20 HD23 LEU 9 2HD2 LEU 9 6.974 -12.787 1.365 21 HA PRO 10 HA PRO 10 7.205 -12.680 -6.113 22 HB2 PRO 10 1HB PRO 10 4.891 -10.941 -5.494 23 HB3 PRO 10 2HB PRO 10 5.209 -11.912 -6.934 24 HG2 PRO 10 1HG PRO 10 3.338 -12.632 -5.166 25 HG3 PRO 10 2HG PRO 10 4.342 -13.838 -5.992 26 HD2 PRO 10 1HD PRO 10 4.562 -12.774 -3.204 27 HD3 PRO 10 2HD PRO 10 4.771 -14.436 -3.806 28 H SER 11 H SER 11 7.869 -10.525 -6.736 29 HA SER 11 HA SER 11 9.410 -9.237 -4.827 30 HB2 SER 11 1HB SER 11 9.430 -7.339 -6.599 31 HB3 SER 11 2HB SER 11 10.100 -8.912 -7.027 32 HG SER 11 HG SER 11 7.372 -8.537 -7.536 33 H GLU 12 H GLU 12 6.119 -8.545 -5.859 34 HA GLU 12 HA GLU 12 5.854 -6.006 -4.647 35 HB2 GLU 12 1HB GLU 12 3.601 -7.978 -5.015 36 HB3 GLU 12 2HB GLU 12 3.504 -6.226 -4.987 37 HG2 GLU 12 1HG GLU 12 3.267 -6.696 -7.224 38 HG3 GLU 12 2HG GLU 12 4.995 -6.365 -7.105 39 H THR 13 H THR 13 5.753 -9.214 -3.357 40 HA THR 13 HA THR 13 4.439 -8.387 -0.891 41 HB THR 13 HB THR 13 5.581 -11.113 -1.527 42 HG1 THR 13 HG1 THR 13 3.231 -9.877 -2.492 43 HG21 THR 13 3HG2 THR 13 3.866 -11.909 -0.003 44 HG22 THR 13 1HG2 THR 13 3.215 -10.278 0.158 45 HG23 THR 13 2HG2 THR 13 4.816 -10.653 0.793 46 H TYR 14 H TYR 14 7.555 -8.765 -2.222 47 HA TYR 14 HA TYR 14 8.869 -9.451 0.244 48 HB2 TYR 14 1HB TYR 14 9.489 -10.520 -1.862 49 HB3 TYR 14 2HB TYR 14 9.952 -8.959 -2.523 50 HD1 TYR 14 HD1 TYR 14 10.775 -11.477 0.042 51 HD2 TYR 14 HD2 TYR 14 12.078 -8.054 -2.102 52 HE1 TYR 14 HE1 TYR 14 13.042 -11.813 0.905 53 HE2 TYR 14 HE2 TYR 14 14.339 -8.365 -1.257 54 HH TYR 14 HH TYR 14 15.464 -9.448 0.661 55 H ILE 15 H ILE 15 8.294 -6.509 -1.594 56 HA ILE 15 HA ILE 15 10.523 -5.236 -0.202 57 HB ILE 15 HB ILE 15 9.932 -3.217 -1.692 58 HG12 ILE 15 1HG1 ILE 15 8.987 -3.991 -3.930 59 HG13 ILE 15 2HG1 ILE 15 8.419 -5.425 -3.085 60 HG21 ILE 15 1HG2 ILE 15 11.946 -4.528 -1.934 61 HG22 ILE 15 2HG2 ILE 15 11.297 -4.114 -3.520 62 HG23 ILE 15 3HG2 ILE 15 11.073 -5.740 -2.872 63 HD11 ILE 15 3HD1 ILE 15 7.046 -4.017 -1.635 64 HD12 ILE 15 1HD1 ILE 15 6.650 -3.779 -3.337 65 HD13 ILE 15 2HD1 ILE 15 7.624 -2.583 -2.481 66 H THR 16 H THR 16 10.084 -2.816 0.336 67 HA THR 16 HA THR 16 7.863 -2.910 2.231 68 HB THR 16 HB THR 16 9.032 -1.053 3.384 69 HG1 THR 16 HG1 THR 16 11.204 -1.519 1.612 70 HG21 THR 16 3HG2 THR 16 10.991 -2.359 4.141 71 HG22 THR 16 1HG2 THR 16 10.762 -3.463 2.786 72 HG23 THR 16 2HG2 THR 16 9.540 -3.352 4.052 73 H CYS 17 H CYS 17 7.000 -0.601 2.785 74 HA CYS 17 HA CYS 17 5.701 0.317 0.430 75 HB2 CYS 17 1HB CYS 17 4.422 1.704 1.831 76 HB3 CYS 17 2HB CYS 17 4.795 0.318 2.844 77 H ALA 18 H ALA 18 8.473 1.339 2.270 78 HA ALA 18 HA ALA 18 8.707 3.944 1.188 79 HB1 ALA 18 3HB ALA 18 9.816 3.268 3.266 80 HB2 ALA 18 1HB ALA 18 10.965 3.915 2.095 81 HB3 ALA 18 2HB ALA 18 10.853 2.173 2.352 82 H GLU 19 H GLU 19 10.217 0.822 0.348 83 HA GLU 19 HA GLU 19 11.742 1.768 -1.805 84 HB2 GLU 19 1HB GLU 19 10.588 -0.969 -1.270 85 HB3 GLU 19 2HB GLU 19 11.789 -0.617 -2.504 86 HG2 GLU 19 1HG GLU 19 13.412 -0.042 -0.881 87 HG3 GLU 19 2HG GLU 19 12.216 -0.057 0.412 88 H ALA 20 H ALA 20 8.396 0.849 -1.519 89 HA ALA 20 HA ALA 20 7.801 0.536 -4.239 90 HB1 ALA 20 3HB ALA 20 5.468 0.906 -3.588 91 HB2 ALA 20 1HB ALA 20 6.001 1.496 -2.014 92 HB3 ALA 20 2HB ALA 20 6.282 -0.185 -2.469 93 H ASN 21 H ASN 21 8.196 3.307 -2.227 94 HA ASN 21 HA ASN 21 7.026 5.221 -4.050 95 HB2 ASN 21 1HB ASN 21 8.828 5.580 -1.654 96 HB3 ASN 21 2HB ASN 21 8.184 6.921 -2.588 97 HD21 ASN 21 2HD2 ASN 21 5.602 5.740 -3.029 98 HD22 ASN 21 1HD2 ASN 21 4.776 5.774 -1.510 99 H GLU 22 H GLU 22 10.214 4.105 -3.191 100 HA GLU 22 HA GLU 22 11.719 5.761 -4.852 101 HB2 GLU 22 1HB GLU 22 12.342 2.893 -4.126 102 HB3 GLU 22 2HB GLU 22 13.493 4.109 -4.663 103 HG2 GLU 22 1HG GLU 22 11.934 4.113 -2.087 104 HG3 GLU 22 2HG GLU 22 13.664 3.831 -2.282 105 H MET 23 H MET 23 10.369 2.506 -5.518 106 HA MET 23 HA MET 23 11.156 2.379 -8.181 107 HB2 MET 23 1HB MET 23 10.259 0.464 -6.894 108 HB3 MET 23 2HB MET 23 8.664 1.198 -6.941 109 HG2 MET 23 1HG MET 23 8.528 0.925 -9.308 110 HG3 MET 23 2HG MET 23 10.214 0.423 -9.399 111 HE1 MET 23 3HE MET 23 6.581 -0.569 -8.270 112 HE2 MET 23 1HE MET 23 7.471 -0.637 -6.750 113 HE3 MET 23 2HE MET 23 6.861 -2.120 -7.482 114 H ALA 24 H ALA 24 8.135 3.582 -6.810 115 HA ALA 24 HA ALA 24 6.739 4.428 -8.998 116 HB1 ALA 24 3HB ALA 24 5.892 4.666 -6.725 117 HB2 ALA 24 1HB ALA 24 5.718 6.172 -7.625 118 HB3 ALA 24 2HB ALA 24 7.012 5.997 -6.440 119 H LYS 25 H LYS 25 9.657 5.843 -7.839 120 HA LYS 25 HA LYS 25 9.525 8.328 -9.196 121 HB2 LYS 25 1HB LYS 25 11.892 6.695 -8.273 122 HB3 LYS 25 2HB LYS 25 12.041 8.295 -8.979 123 HG2 LYS 25 1HG LYS 25 10.747 9.248 -7.171 124 HG3 LYS 25 2HG LYS 25 10.505 7.642 -6.478 125 HD2 LYS 25 1HD LYS 25 12.838 7.418 -6.012 126 HD3 LYS 25 2HD LYS 25 13.215 8.882 -6.926 127 HE2 LYS 25 1HE LYS 25 13.266 9.312 -4.532 128 HE3 LYS 25 2HE LYS 25 11.971 10.217 -5.309 129 HZ1 LYS 25 3HZ LYS 25 11.714 7.761 -3.653 130 HZ2 LYS 25 1HZ LYS 25 10.443 8.407 -4.577 131 HZ3 LYS 25 2HZ LYS 25 11.119 9.309 -3.325 132 H THR 26 H THR 26 10.447 5.153 -10.097 133 HA THR 26 HA THR 26 11.244 6.013 -12.773 134 HB THR 26 HB THR 26 11.276 3.226 -11.583 135 HG1 THR 26 HG1 THR 26 13.029 5.383 -11.335 136 HG21 THR 26 3HG2 THR 26 12.720 4.411 -13.960 137 HG22 THR 26 1HG2 THR 26 11.349 3.305 -14.038 138 HG23 THR 26 2HG2 THR 26 12.887 2.758 -13.373 139 H ASP 27 H ASP 27 8.833 4.180 -10.991 140 HA ASP 27 HA ASP 27 7.035 4.326 -13.278 141 HB2 ASP 27 1HB ASP 27 8.409 2.106 -12.979 142 HB3 ASP 27 2HB ASP 27 7.141 1.757 -11.821 143 H SER 28 H SER 28 5.766 5.690 -12.176 144 HA SER 28 HA SER 28 4.834 5.221 -9.507 145 HB2 SER 28 1HB SER 28 5.070 7.500 -10.536 146 HB3 SER 28 2HB SER 28 3.680 7.127 -11.553 147 HG SER 28 HG SER 28 3.795 7.849 -8.914 148 H ALA 29 H ALA 29 3.734 4.465 -12.716 149 HA ALA 29 HA ALA 29 1.022 3.978 -12.177 150 HB1 ALA 29 3HB ALA 29 0.999 2.722 -14.260 151 HB2 ALA 29 1HB ALA 29 2.760 2.685 -14.270 152 HB3 ALA 29 2HB ALA 29 1.910 4.220 -14.446 153 H GLN 30 H GLN 30 3.755 1.671 -12.382 154 HA GLN 30 HA GLN 30 2.380 -0.653 -11.745 155 HB2 GLN 30 1HB GLN 30 5.202 0.134 -11.024 156 HB3 GLN 30 2HB GLN 30 4.554 -1.479 -10.781 157 HG2 GLN 30 1HG GLN 30 4.147 -1.645 -13.201 158 HG3 GLN 30 2HG GLN 30 4.881 -0.053 -13.406 159 HE21 GLN 30 2HE2 GLN 30 6.533 -0.825 -14.680 160 HE22 GLN 30 1HE2 GLN 30 7.827 -1.785 -14.066 161 H VAL 31 H VAL 31 3.644 1.797 -9.572 162 HA VAL 31 HA VAL 31 3.200 0.243 -7.213 163 HB VAL 31 HB VAL 31 3.713 3.210 -7.473 164 HG11 VAL 31 1HG1 VAL 31 3.978 1.356 -5.107 165 HG12 VAL 31 2HG1 VAL 31 2.768 2.622 -5.310 166 HG13 VAL 31 3HG1 VAL 31 4.471 3.050 -5.142 167 HG21 VAL 31 3HG2 VAL 31 5.621 0.920 -7.031 168 HG22 VAL 31 1HG2 VAL 31 6.046 2.631 -6.989 169 HG23 VAL 31 2HG2 VAL 31 5.487 1.899 -8.491 170 H ALA 32 H ALA 32 1.495 2.871 -8.841 171 HA ALA 32 HA ALA 32 -0.407 3.296 -6.769 172 HB1 ALA 32 3HB ALA 32 -1.609 4.643 -8.405 173 HB2 ALA 32 1HB ALA 32 -0.602 3.996 -9.700 174 HB3 ALA 32 2HB ALA 32 0.115 5.010 -8.449 175 H GLU 33 H GLU 33 -0.226 1.200 -9.547 176 HA GLU 33 HA GLU 33 -2.974 0.410 -9.408 177 HB2 GLU 33 1HB GLU 33 -0.669 -0.821 -10.922 178 HB3 GLU 33 2HB GLU 33 -2.365 -1.246 -11.127 179 HG2 GLU 33 1HG GLU 33 -2.834 1.068 -11.823 180 HG3 GLU 33 2HG GLU 33 -1.123 1.443 -11.674 181 H ILE 34 H ILE 34 0.085 -1.337 -8.781 182 HA ILE 34 HA ILE 34 -0.982 -3.646 -7.678 183 HB ILE 34 HB ILE 34 1.590 -2.242 -6.918 184 HG12 ILE 34 1HG1 ILE 34 1.095 -4.644 -8.693 185 HG13 ILE 34 2HG1 ILE 34 1.345 -3.005 -9.281 186 HG21 ILE 34 1HG2 ILE 34 2.323 -4.381 -5.956 187 HG22 ILE 34 2HG2 ILE 34 0.717 -5.053 -6.238 188 HG23 ILE 34 3HG2 ILE 34 0.930 -3.725 -5.098 189 HD11 ILE 34 3HD1 ILE 34 3.367 -4.354 -9.454 190 HD12 ILE 34 1HD1 ILE 34 3.337 -4.634 -7.713 191 HD13 ILE 34 2HD1 ILE 34 3.592 -3.005 -8.341 192 H VAL 35 H VAL 35 -0.182 -0.667 -6.003 193 HA VAL 35 HA VAL 35 -0.961 -1.456 -3.410 194 HB VAL 35 HB VAL 35 -0.855 1.301 -4.659 195 HG11 VAL 35 1HG1 VAL 35 -1.386 0.621 -1.764 196 HG12 VAL 35 2HG1 VAL 35 -2.534 1.355 -2.886 197 HG13 VAL 35 3HG1 VAL 35 -1.081 2.235 -2.411 198 HG21 VAL 35 3HG2 VAL 35 1.119 1.547 -3.216 199 HG22 VAL 35 1HG2 VAL 35 1.286 0.191 -4.331 200 HG23 VAL 35 2HG2 VAL 35 0.891 -0.103 -2.639 201 H ALA 36 H ALA 36 -2.841 -0.087 -6.063 202 HA ALA 36 HA ALA 36 -5.259 0.155 -4.571 203 HB1 ALA 36 3HB ALA 36 -6.329 0.557 -6.724 204 HB2 ALA 36 1HB ALA 36 -4.871 0.025 -7.561 205 HB3 ALA 36 2HB ALA 36 -4.839 1.491 -6.583 206 H VAL 37 H VAL 37 -3.918 -2.304 -6.734 207 HA VAL 37 HA VAL 37 -6.089 -3.991 -6.993 208 HB VAL 37 HB VAL 37 -3.166 -4.762 -6.783 209 HG11 VAL 37 1HG1 VAL 37 -4.569 -6.704 -6.327 210 HG12 VAL 37 2HG1 VAL 37 -3.806 -6.853 -7.910 211 HG13 VAL 37 3HG1 VAL 37 -5.503 -6.391 -7.789 212 HG21 VAL 37 3HG2 VAL 37 -3.667 -3.245 -8.627 213 HG22 VAL 37 1HG2 VAL 37 -4.952 -4.320 -9.176 214 HG23 VAL 37 2HG2 VAL 37 -3.273 -4.855 -9.232 215 H MET 38 H MET 38 -3.443 -4.647 -4.556 216 HA MET 38 HA MET 38 -5.118 -6.365 -3.130 217 HB2 MET 38 1HB MET 38 -2.564 -4.988 -2.292 218 HB3 MET 38 2HB MET 38 -3.309 -6.351 -1.470 219 HG2 MET 38 1HG MET 38 -2.961 -7.738 -3.453 220 HG3 MET 38 2HG MET 38 -2.223 -6.369 -4.280 221 HE1 MET 38 3HE MET 38 -0.590 -5.133 -1.644 222 HE2 MET 38 1HE MET 38 -0.045 -5.131 -3.324 223 HE3 MET 38 2HE MET 38 0.989 -5.794 -2.059 224 H GLY 39 H GLY 39 -4.450 -2.932 -2.909 225 HA2 GLY 39 1HA GLY 39 -5.336 -2.448 -0.302 226 HA3 GLY 39 2HA GLY 39 -5.392 -1.288 -1.621 227 H ASN 40 H ASN 40 -7.168 -2.015 -3.291 228 HA ASN 40 HA ASN 40 -9.656 -1.589 -2.121 229 HB2 ASN 40 1HB ASN 40 -10.524 -1.585 -4.242 230 HB3 ASN 40 2HB ASN 40 -8.812 -1.556 -4.658 231 HD21 ASN 40 2HD2 ASN 40 -7.925 -3.246 -5.670 232 HD22 ASN 40 1HD2 ASN 40 -8.807 -4.618 -6.245 233 H ALA 41 H ALA 41 -8.061 -4.618 -2.864 234 HA ALA 41 HA ALA 41 -10.251 -6.324 -2.307 235 HB1 ALA 41 3HB ALA 41 -8.550 -8.087 -2.140 236 HB2 ALA 41 1HB ALA 41 -7.287 -6.857 -2.135 237 HB3 ALA 41 2HB ALA 41 -8.302 -7.071 -3.560 238 H SER 42 H SER 42 -7.522 -5.248 -0.420 239 HA SER 42 HA SER 42 -8.103 -6.566 1.977 240 HB2 SER 42 1HB SER 42 -5.927 -5.461 1.499 241 HB3 SER 42 2HB SER 42 -6.708 -3.891 1.675 242 HG SER 42 HG SER 42 -7.321 -5.223 3.846 243 H VAL 43 H VAL 43 -8.836 -3.152 1.138 244 HA VAL 43 HA VAL 43 -10.292 -2.648 3.460 245 HB VAL 43 HB VAL 43 -11.246 -0.697 2.336 246 HG11 VAL 43 1HG1 VAL 43 -8.342 -1.133 1.666 247 HG12 VAL 43 2HG1 VAL 43 -8.984 -0.564 3.207 248 HG13 VAL 43 3HG1 VAL 43 -9.155 0.430 1.760 249 HG21 VAL 43 3HG2 VAL 43 -10.012 -1.839 -0.168 250 HG22 VAL 43 1HG2 VAL 43 -10.698 -0.219 -0.022 251 HG23 VAL 43 2HG2 VAL 43 -11.734 -1.637 0.153 252 H ALA 44 H ALA 44 -11.457 -3.951 0.321 253 HA ALA 44 HA ALA 44 -14.170 -3.892 1.063 254 HB1 ALA 44 3HB ALA 44 -13.415 -3.911 -1.257 255 HB2 ALA 44 1HB ALA 44 -14.488 -5.273 -0.927 256 HB3 ALA 44 2HB ALA 44 -12.744 -5.522 -1.036 257 H SER 45 H SER 45 -11.632 -5.963 2.022 258 HA SER 45 HA SER 45 -13.410 -8.238 2.326 259 HB2 SER 45 1HB SER 45 -11.430 -9.478 3.164 260 HB3 SER 45 2HB SER 45 -11.175 -8.776 1.570 261 HG SER 45 HG SER 45 -10.301 -6.939 3.126 262 H ARG 46 H ARG 46 -12.376 -5.591 4.209 263 HA ARG 46 HA ARG 46 -13.089 -7.003 6.690 264 HB2 ARG 46 1HB ARG 46 -10.951 -5.690 6.568 265 HB3 ARG 46 2HB ARG 46 -11.915 -4.235 6.376 266 HG2 ARG 46 1HG ARG 46 -11.463 -4.194 8.625 267 HG3 ARG 46 2HG ARG 46 -13.026 -5.010 8.599 268 HD2 ARG 46 1HD ARG 46 -10.303 -6.259 8.892 269 HD3 ARG 46 2HD ARG 46 -11.586 -6.206 10.095 270 HE ARG 46 HE ARG 46 -12.848 -7.639 8.396 271 HH11 ARG 46 1HH1 ARG 46 -9.380 -7.765 8.932 272 HH12 ARG 46 2HH1 ARG 46 -9.212 -9.368 8.305 273 HH21 ARG 46 1HH2 ARG 46 -12.619 -9.786 7.587 274 HH22 ARG 46 2HH2 ARG 46 -11.055 -10.521 7.561 275 H ASP 47 H ASP 47 -14.114 -4.549 4.525 276 HA ASP 47 HA ASP 47 -16.371 -3.882 6.280 277 HB2 ASP 47 1HB ASP 47 -14.874 -2.041 5.591 278 HB3 ASP 47 2HB ASP 47 -15.286 -2.371 3.920 279 H LEU 48 H LEU 48 -15.625 -4.306 2.845 280 HA LEU 48 HA LEU 48 -16.717 -5.285 1.139 281 HB2 LEU 48 1HB LEU 48 -17.282 -7.050 2.845 282 HB3 LEU 48 2HB LEU 48 -18.799 -6.221 3.118 283 HG LEU 48 HG LEU 48 -19.446 -6.647 0.777 284 HD11 LEU 48 1HD1 LEU 48 -16.858 -8.185 0.655 285 HD12 LEU 48 2HD1 LEU 48 -17.257 -6.725 -0.252 286 HD13 LEU 48 3HD1 LEU 48 -18.129 -8.225 -0.566 287 HD21 LEU 48 3HD2 LEU 48 -20.103 -8.211 2.532 288 HD22 LEU 48 1HD2 LEU 48 -18.608 -9.114 2.296 289 HD23 LEU 48 2HD2 LEU 48 -19.812 -9.051 1.008 290 H LYS 49 H LYS 49 -17.621 -2.635 2.656 291 HA LYS 49 HA LYS 49 -19.909 -2.168 0.850 292 HB2 LYS 49 1HB LYS 49 -19.420 -0.467 3.276 293 HB3 LYS 49 2HB LYS 49 -20.924 -0.762 2.421 294 HG2 LYS 49 1HG LYS 49 -19.498 -2.765 4.163 295 HG3 LYS 49 2HG LYS 49 -20.870 -1.778 4.657 296 HD2 LYS 49 1HD LYS 49 -22.299 -2.861 3.064 297 HD3 LYS 49 2HD LYS 49 -20.925 -3.714 2.349 298 HE2 LYS 49 1HE LYS 49 -20.577 -4.950 4.384 299 HE3 LYS 49 2HE LYS 49 -21.845 -4.034 5.198 300 HZ1 LYS 49 3HZ LYS 49 -23.446 -4.964 3.616 301 HZ2 LYS 49 1HZ LYS 49 -22.670 -6.170 4.509 302 HZ3 LYS 49 2HZ LYS 49 -22.216 -5.888 2.911 303 H ILE 50 H ILE 50 -16.727 -1.585 1.362 304 HA ILE 50 HA ILE 50 -16.572 1.208 0.715 305 HB ILE 50 HB ILE 50 -14.419 -0.931 0.855 306 HG12 ILE 50 1HG1 ILE 50 -15.076 1.333 2.757 307 HG13 ILE 50 2HG1 ILE 50 -15.542 -0.347 2.998 308 HG21 ILE 50 1HG2 ILE 50 -12.800 0.910 0.817 309 HG22 ILE 50 2HG2 ILE 50 -14.110 2.059 0.559 310 HG23 ILE 50 3HG2 ILE 50 -13.742 0.852 -0.673 311 HD11 ILE 50 3HD1 ILE 50 -12.717 0.699 2.863 312 HD12 ILE 50 1HD1 ILE 50 -13.183 -0.981 3.119 313 HD13 ILE 50 2HD1 ILE 50 -13.586 0.237 4.325 314 H GLU 51 H GLU 51 -16.327 2.130 -1.232 315 HA GLU 51 HA GLU 51 -16.701 0.500 -3.587 316 HB2 GLU 51 1HB GLU 51 -16.381 3.495 -3.322 317 HB3 GLU 51 2HB GLU 51 -16.779 2.653 -4.806 318 HG2 GLU 51 1HG GLU 51 -18.821 3.443 -4.084 319 HG3 GLU 51 2HG GLU 51 -18.821 1.779 -3.505 320 H GLN 52 H GLN 52 -15.392 1.227 -5.582 321 HA GLN 52 HA GLN 52 -12.627 0.674 -5.054 322 HB2 GLN 52 1HB GLN 52 -14.101 1.290 -7.618 323 HB3 GLN 52 2HB GLN 52 -12.409 0.820 -7.535 324 HG2 GLN 52 1HG GLN 52 -14.672 -0.862 -6.507 325 HG3 GLN 52 2HG GLN 52 -13.979 -1.020 -8.123 326 HE21 GLN 52 2HE2 GLN 52 -14.073 -2.920 -5.905 327 HE22 GLN 52 1HE2 GLN 52 -12.426 -3.347 -5.583 328 H SER 53 H SER 53 -12.318 2.611 -3.745 329 HA SER 53 HA SER 53 -12.240 5.138 -5.162 330 HB2 SER 53 1HB SER 53 -13.143 5.059 -2.870 331 HB3 SER 53 2HB SER 53 -11.587 4.482 -2.283 332 HG SER 53 HG SER 53 -12.380 7.018 -3.077 333 HA PRO 54 HA PRO 54 -7.873 4.415 -6.114 334 HB2 PRO 54 1HB PRO 54 -8.118 7.063 -7.388 335 HB3 PRO 54 2HB PRO 54 -7.666 5.518 -8.114 336 HG2 PRO 54 1HG PRO 54 -10.030 6.688 -8.634 337 HG3 PRO 54 2HG PRO 54 -9.855 4.926 -8.541 338 HD2 PRO 54 1HD PRO 54 -10.944 6.834 -6.506 339 HD3 PRO 54 2HD PRO 54 -11.539 5.228 -6.985 340 H GLU 55 H GLU 55 -9.501 6.845 -4.441 341 HA GLU 55 HA GLU 55 -7.309 8.549 -3.764 342 HB2 GLU 55 1HB GLU 55 -9.956 8.196 -2.349 343 HB3 GLU 55 2HB GLU 55 -8.834 9.532 -2.125 344 HG2 GLU 55 1HG GLU 55 -10.330 8.869 -4.648 345 HG3 GLU 55 2HG GLU 55 -10.689 10.187 -3.534 346 H LEU 56 H LEU 56 -8.744 5.662 -2.444 347 HA LEU 56 HA LEU 56 -7.460 5.697 0.069 348 HB2 LEU 56 1HB LEU 56 -8.450 3.385 -1.600 349 HB3 LEU 56 2HB LEU 56 -7.893 3.239 0.058 350 HG LEU 56 HG LEU 56 -10.275 4.869 -0.830 351 HD11 LEU 56 1HD1 LEU 56 -11.604 3.122 0.247 352 HD12 LEU 56 2HD1 LEU 56 -10.135 2.197 0.560 353 HD13 LEU 56 3HD1 LEU 56 -10.663 2.479 -1.099 354 HD21 LEU 56 3HD2 LEU 56 -10.761 4.998 1.578 355 HD22 LEU 56 1HD2 LEU 56 -9.231 5.776 1.170 356 HD23 LEU 56 2HD2 LEU 56 -9.235 4.181 1.919 357 H SER 57 H SER 57 -6.609 4.320 -3.060 358 HA SER 57 HA SER 57 -4.218 3.047 -2.295 359 HB2 SER 57 1HB SER 57 -5.295 2.678 -4.499 360 HB3 SER 57 2HB SER 57 -4.884 4.326 -4.969 361 HG SER 57 HG SER 57 -3.371 2.743 -5.744 362 H ALA 58 H ALA 58 -4.668 6.181 -3.858 363 HA ALA 58 HA ALA 58 -2.209 7.316 -3.671 364 HB1 ALA 58 3HB ALA 58 -4.159 8.425 -4.666 365 HB2 ALA 58 1HB ALA 58 -3.277 9.498 -3.580 366 HB3 ALA 58 2HB ALA 58 -4.786 8.757 -3.051 367 H LYS 59 H LYS 59 -4.542 7.094 -1.019 368 HA LYS 59 HA LYS 59 -2.978 8.604 0.835 369 HB2 LYS 59 1HB LYS 59 -5.390 8.390 1.102 370 HB3 LYS 59 2HB LYS 59 -5.244 6.650 1.288 371 HG2 LYS 59 1HG LYS 59 -4.049 6.946 3.382 372 HG3 LYS 59 2HG LYS 59 -4.108 8.698 3.187 373 HD2 LYS 59 1HD LYS 59 -6.558 6.942 3.354 374 HD3 LYS 59 2HD LYS 59 -5.839 7.758 4.741 375 HE2 LYS 59 1HE LYS 59 -6.210 9.921 3.679 376 HE3 LYS 59 2HE LYS 59 -6.872 9.127 2.253 377 HZ1 LYS 59 3HZ LYS 59 -8.043 8.945 4.975 378 HZ2 LYS 59 1HZ LYS 59 -8.705 8.324 3.549 379 HZ3 LYS 59 2HZ LYS 59 -8.584 9.990 3.770 380 H VAL 60 H VAL 60 -3.511 5.143 0.352 381 HA VAL 60 HA VAL 60 -1.913 4.187 2.456 382 HB VAL 60 HB VAL 60 -2.569 2.818 -0.166 383 HG11 VAL 60 1HG1 VAL 60 -1.547 1.676 2.428 384 HG12 VAL 60 2HG1 VAL 60 -0.691 1.718 0.885 385 HG13 VAL 60 3HG1 VAL 60 -2.141 0.729 1.065 386 HG21 VAL 60 3HG2 VAL 60 -4.533 3.501 1.157 387 HG22 VAL 60 1HG2 VAL 60 -3.899 2.592 2.527 388 HG23 VAL 60 2HG2 VAL 60 -4.366 1.748 1.052 389 H VAL 61 H VAL 61 -0.988 5.389 -0.660 390 HA VAL 61 HA VAL 61 1.673 4.183 -0.385 391 HB VAL 61 HB VAL 61 0.498 3.968 -2.584 392 HG11 VAL 61 1HG1 VAL 61 -0.604 6.120 -2.678 393 HG12 VAL 61 2HG1 VAL 61 0.416 5.889 -4.096 394 HG13 VAL 61 3HG1 VAL 61 0.953 6.939 -2.787 395 HG21 VAL 61 3HG2 VAL 61 2.448 4.545 -3.971 396 HG22 VAL 61 1HG2 VAL 61 2.905 3.729 -2.475 397 HG23 VAL 61 2HG2 VAL 61 3.110 5.474 -2.624 398 H GLU 62 H GLU 62 0.022 7.190 -0.182 399 HA GLU 62 HA GLU 62 2.404 8.815 -0.345 400 HB2 GLU 62 1HB GLU 62 0.253 9.664 -1.164 401 HB3 GLU 62 2HB GLU 62 -0.399 9.581 0.466 402 HG2 GLU 62 1HG GLU 62 1.383 11.197 1.161 403 HG3 GLU 62 2HG GLU 62 1.782 11.384 -0.545 404 H LYS 63 H LYS 63 0.071 8.019 2.244 405 HA LYS 63 HA LYS 63 1.731 9.416 4.156 406 HB2 LYS 63 1HB LYS 63 -0.899 7.999 4.461 407 HB3 LYS 63 2HB LYS 63 -0.042 8.758 5.796 408 HG2 LYS 63 1HG LYS 63 -0.097 10.895 4.472 409 HG3 LYS 63 2HG LYS 63 -1.201 10.081 3.362 410 HD2 LYS 63 1HD LYS 63 -2.797 9.730 5.113 411 HD3 LYS 63 2HD LYS 63 -1.668 10.334 6.326 412 HE2 LYS 63 1HE LYS 63 -1.678 12.520 5.080 413 HE3 LYS 63 2HE LYS 63 -3.006 11.877 4.118 414 HZ1 LYS 63 3HZ LYS 63 -4.267 11.582 6.186 415 HZ2 LYS 63 1HZ LYS 63 -3.852 13.198 5.916 416 HZ3 LYS 63 2HZ LYS 63 -3.001 12.285 7.055 417 H LEU 64 H LEU 64 0.566 6.107 3.846 418 HA LEU 64 HA LEU 64 1.670 5.043 6.102 419 HB2 LEU 64 1HB LEU 64 0.990 3.749 3.508 420 HB3 LEU 64 2HB LEU 64 1.874 2.828 4.706 421 HG LEU 64 HG LEU 64 -0.577 2.482 4.753 422 HD11 LEU 64 1HD1 LEU 64 0.812 2.076 6.729 423 HD12 LEU 64 2HD1 LEU 64 -0.807 2.622 7.158 424 HD13 LEU 64 3HD1 LEU 64 0.551 3.742 7.248 425 HD21 LEU 64 3HD2 LEU 64 -0.679 5.325 5.760 426 HD22 LEU 64 1HD2 LEU 64 -2.034 4.205 5.639 427 HD23 LEU 64 2HD2 LEU 64 -1.238 4.793 4.177 428 H ASN 65 H ASN 65 3.597 5.798 3.234 429 HA ASN 65 HA ASN 65 5.873 4.383 3.907 430 HB2 ASN 65 1HB ASN 65 7.150 6.032 2.621 431 HB3 ASN 65 2HB ASN 65 5.683 5.545 1.787 432 HD21 ASN 65 2HD2 ASN 65 5.703 7.362 0.522 433 HD22 ASN 65 1HD2 ASN 65 5.273 8.928 1.124 434 H GLN 66 H GLN 66 4.425 6.665 5.742 435 HA GLN 66 HA GLN 66 6.810 7.819 6.932 436 HB2 GLN 66 1HB GLN 66 4.240 8.706 6.808 437 HB3 GLN 66 2HB GLN 66 4.254 7.987 8.413 438 HG2 GLN 66 1HG GLN 66 4.822 10.204 8.788 439 HG3 GLN 66 2HG GLN 66 6.367 9.360 8.815 440 HE21 GLN 66 2HE2 GLN 66 6.288 9.081 5.827 441 HE22 GLN 66 1HE2 GLN 66 6.733 10.631 5.222 442 H VAL 67 H VAL 67 4.443 5.352 7.549 443 HA VAL 67 HA VAL 67 5.286 4.546 10.094 444 HB VAL 67 HB VAL 67 4.134 2.739 7.956 445 HG11 VAL 67 1HG1 VAL 67 5.027 1.631 9.962 446 HG12 VAL 67 2HG1 VAL 67 3.284 1.434 9.804 447 HG13 VAL 67 3HG1 VAL 67 3.940 2.591 10.961 448 HG21 VAL 67 3HG2 VAL 67 1.924 3.321 8.898 449 HG22 VAL 67 1HG2 VAL 67 2.724 4.700 8.145 450 HG23 VAL 67 2HG2 VAL 67 2.700 4.548 9.899 451 H CYS 68 H CYS 68 6.149 3.230 6.854 452 HA CYS 68 HA CYS 68 8.087 1.425 7.758 453 HB2 CYS 68 1HB CYS 68 8.126 2.923 5.126 454 HB3 CYS 68 2HB CYS 68 8.936 1.404 5.479 455 H ALA 69 H ALA 69 8.301 4.837 6.929 456 HA ALA 69 HA ALA 69 11.073 5.172 7.078 457 HB1 ALA 69 3HB ALA 69 10.623 7.539 7.462 458 HB2 ALA 69 1HB ALA 69 8.944 7.165 7.845 459 HB3 ALA 69 2HB ALA 69 9.557 6.891 6.216 460 H LYS 70 H LYS 70 8.723 4.813 9.613 461 HA LYS 70 HA LYS 70 10.693 5.581 11.639 462 HB2 LYS 70 1HB LYS 70 7.747 4.985 11.910 463 HB3 LYS 70 2HB LYS 70 8.808 5.453 13.230 464 HG2 LYS 70 1HG LYS 70 9.228 7.600 12.124 465 HG3 LYS 70 2HG LYS 70 8.141 7.130 10.817 466 HD2 LYS 70 1HD LYS 70 6.966 8.561 12.370 467 HD3 LYS 70 2HD LYS 70 6.306 6.928 12.462 468 HE2 LYS 70 1HE LYS 70 7.665 6.503 14.462 469 HE3 LYS 70 2HE LYS 70 8.309 8.139 14.367 470 HZ1 LYS 70 3HZ LYS 70 5.457 7.430 14.761 471 HZ2 LYS 70 1HZ LYS 70 6.094 8.999 14.715 472 HZ3 LYS 70 2HZ LYS 70 6.517 7.952 15.968 473 H ASP 71 H ASP 71 9.275 2.833 10.196 474 HA ASP 71 HA ASP 71 10.743 1.114 12.035 475 HB2 ASP 71 1HB ASP 71 8.310 1.292 12.773 476 HB3 ASP 71 2HB ASP 71 7.893 0.481 11.267 477 HA PRO 72 HA PRO 72 11.760 -0.054 7.796 478 HB2 PRO 72 1HB PRO 72 13.835 -1.696 8.460 479 HB3 PRO 72 2HB PRO 72 13.972 0.064 8.367 480 HG2 PRO 72 1HG PRO 72 13.594 -1.683 10.767 481 HG3 PRO 72 2HG PRO 72 14.654 -0.277 10.562 482 HD2 PRO 72 1HD PRO 72 12.297 -0.125 11.857 483 HD3 PRO 72 2HD PRO 72 12.933 1.228 10.896 484 H GLN 73 H GLN 73 10.809 -2.117 10.396 485 HA GLN 73 HA GLN 73 10.820 -4.559 8.890 486 HB2 GLN 73 1HB GLN 73 9.293 -3.998 11.426 487 HB3 GLN 73 2HB GLN 73 9.787 -5.563 10.805 488 HG2 GLN 73 1HG GLN 73 11.574 -3.400 11.877 489 HG3 GLN 73 2HG GLN 73 11.202 -4.944 12.640 490 HE21 GLN 73 2HE2 GLN 73 13.733 -3.739 11.816 491 HE22 GLN 73 1HE2 GLN 73 14.493 -4.888 10.771 492 H MET 74 H MET 74 8.971 -1.925 8.549 493 HA MET 74 HA MET 74 6.459 -3.337 8.127 494 HB2 MET 74 1HB MET 74 7.169 -0.414 7.924 495 HB3 MET 74 2HB MET 74 5.573 -1.064 7.584 496 HG2 MET 74 1HG MET 74 7.006 -1.274 10.219 497 HG3 MET 74 2HG MET 74 5.753 -0.100 9.833 498 HE1 MET 74 3HE MET 74 4.354 -0.853 11.965 499 HE2 MET 74 1HE MET 74 5.618 -2.014 12.370 500 HE3 MET 74 2HE MET 74 3.934 -2.531 12.311 501 H LEU 75 H LEU 75 6.217 -4.361 6.285 502 HA LEU 75 HA LEU 75 7.643 -3.439 3.944 503 HB2 LEU 75 1HB LEU 75 6.116 -5.967 4.526 504 HB3 LEU 75 2HB LEU 75 6.662 -5.570 2.911 505 HG LEU 75 HG LEU 75 9.018 -5.456 3.892 506 HD11 LEU 75 1HD1 LEU 75 7.680 -6.913 6.161 507 HD12 LEU 75 2HD1 LEU 75 8.408 -5.310 6.240 508 HD13 LEU 75 3HD1 LEU 75 9.418 -6.721 5.930 509 HD21 LEU 75 3HD2 LEU 75 9.330 -7.859 3.733 510 HD22 LEU 75 1HD2 LEU 75 8.220 -7.294 2.485 511 HD23 LEU 75 2HD2 LEU 75 7.595 -8.113 3.918 512 H LEU 76 H LEU 76 6.163 -4.028 1.818 513 HA LEU 76 HA LEU 76 4.317 -1.892 1.713 514 HB2 LEU 76 1HB LEU 76 5.539 -2.676 -0.257 515 HB3 LEU 76 2HB LEU 76 4.678 -4.206 -0.193 516 HG LEU 76 HG LEU 76 2.556 -2.987 -0.632 517 HD11 LEU 76 1HD1 LEU 76 2.661 -0.685 -1.449 518 HD12 LEU 76 2HD1 LEU 76 4.378 -0.623 -1.049 519 HD13 LEU 76 3HD1 LEU 76 3.178 -0.805 0.231 520 HD21 LEU 76 3HD2 LEU 76 3.000 -2.559 -2.998 521 HD22 LEU 76 1HD2 LEU 76 3.776 -4.045 -2.454 522 HD23 LEU 76 2HD2 LEU 76 4.734 -2.583 -2.678 523 H ILE 77 H ILE 77 3.904 -5.384 1.992 524 HA ILE 77 HA ILE 77 1.122 -5.476 1.720 525 HB ILE 77 HB ILE 77 2.902 -7.306 3.337 526 HG12 ILE 77 1HG1 ILE 77 3.546 -7.167 0.968 527 HG13 ILE 77 2HG1 ILE 77 2.885 -8.747 1.365 528 HG21 ILE 77 1HG2 ILE 77 0.095 -7.745 2.316 529 HG22 ILE 77 2HG2 ILE 77 0.576 -7.551 4.002 530 HG23 ILE 77 3HG2 ILE 77 1.105 -8.965 3.094 531 HD11 ILE 77 3HD1 ILE 77 0.746 -8.084 0.362 532 HD12 ILE 77 1HD1 ILE 77 2.080 -7.991 -0.788 533 HD13 ILE 77 2HD1 ILE 77 1.441 -6.520 -0.056 534 H THR 78 H THR 78 3.128 -5.173 4.639 535 HA THR 78 HA THR 78 0.935 -5.221 6.422 536 HB THR 78 HB THR 78 2.565 -4.216 8.079 537 HG1 THR 78 HG1 THR 78 4.158 -3.226 7.098 538 HG21 THR 78 3HG2 THR 78 3.936 -6.242 8.218 539 HG22 THR 78 1HG2 THR 78 3.466 -6.677 6.575 540 HG23 THR 78 2HG2 THR 78 2.257 -6.638 7.856 541 H ALA 79 H ALA 79 2.775 -2.588 4.956 542 HA ALA 79 HA ALA 79 1.566 -0.408 6.130 543 HB1 ALA 79 3HB ALA 79 2.358 -0.658 3.229 544 HB2 ALA 79 1HB ALA 79 3.430 -0.229 4.561 545 HB3 ALA 79 2HB ALA 79 2.111 0.852 4.107 546 H ILE 80 H ILE 80 0.437 -2.094 3.195 547 HA ILE 80 HA ILE 80 -1.934 -0.550 2.920 548 HB ILE 80 HB ILE 80 -1.422 -3.350 1.889 549 HG12 ILE 80 1HG1 ILE 80 -0.877 -0.688 0.543 550 HG13 ILE 80 2HG1 ILE 80 0.351 -1.758 1.205 551 HG21 ILE 80 1HG2 ILE 80 -3.070 -2.755 0.160 552 HG22 ILE 80 2HG2 ILE 80 -3.335 -1.207 0.962 553 HG23 ILE 80 3HG2 ILE 80 -3.765 -2.708 1.781 554 HD11 ILE 80 3HD1 ILE 80 0.195 -1.953 -1.210 555 HD12 ILE 80 1HD1 ILE 80 -1.505 -2.406 -1.073 556 HD13 ILE 80 2HD1 ILE 80 -0.254 -3.464 -0.420 557 H ASP 81 H ASP 81 -1.271 -3.740 4.260 558 HA ASP 81 HA ASP 81 -3.855 -4.512 4.955 559 HB2 ASP 81 1HB ASP 81 -1.946 -6.041 4.880 560 HB3 ASP 81 2HB ASP 81 -1.211 -5.216 6.246 561 H ASP 82 H ASP 82 -1.498 -2.584 6.753 562 HA ASP 82 HA ASP 82 -3.026 -2.513 9.157 563 HB2 ASP 82 1HB ASP 82 -0.599 -2.135 9.175 564 HB3 ASP 82 2HB ASP 82 -0.822 -0.648 8.259 565 H THR 83 H THR 83 -2.826 -0.359 6.313 566 HA THR 83 HA THR 83 -4.255 1.786 7.409 567 HB THR 83 HB THR 83 -4.396 0.937 4.509 568 HG1 THR 83 HG1 THR 83 -2.196 0.956 5.103 569 HG21 THR 83 3HG2 THR 83 -5.822 2.808 5.090 570 HG22 THR 83 1HG2 THR 83 -4.445 3.409 4.169 571 HG23 THR 83 2HG2 THR 83 -4.488 3.612 5.918 572 H MET 84 H MET 84 -5.254 -1.288 6.075 573 HA MET 84 HA MET 84 -7.949 -0.836 5.612 574 HB2 MET 84 1HB MET 84 -6.769 -2.917 5.015 575 HB3 MET 84 2HB MET 84 -6.693 -3.351 6.717 576 HG2 MET 84 1HG MET 84 -9.212 -3.265 6.724 577 HG3 MET 84 2HG MET 84 -9.122 -3.131 4.971 578 HE1 MET 84 3HE MET 84 -8.497 -5.262 8.090 579 HE2 MET 84 1HE MET 84 -6.859 -5.267 7.438 580 HE3 MET 84 2HE MET 84 -7.805 -6.760 7.462 581 H ARG 85 H ARG 85 -6.266 -1.224 8.669 582 HA ARG 85 HA ARG 85 -8.739 -1.460 10.155 583 HB2 ARG 85 1HB ARG 85 -5.855 -1.208 10.981 584 HB3 ARG 85 2HB ARG 85 -7.148 -1.038 12.152 585 HG2 ARG 85 1HG ARG 85 -6.414 -3.263 12.306 586 HG3 ARG 85 2HG ARG 85 -7.939 -3.325 11.425 587 HD2 ARG 85 1HD ARG 85 -6.733 -3.494 9.325 588 HD3 ARG 85 2HD ARG 85 -5.198 -3.366 10.183 589 HE ARG 85 HE ARG 85 -6.962 -5.556 10.930 590 HH11 ARG 85 1HH1 ARG 85 -4.149 -4.477 9.181 591 HH12 ARG 85 2HH1 ARG 85 -3.487 -6.058 8.968 592 HH21 ARG 85 1HH2 ARG 85 -6.095 -7.680 10.685 593 HH22 ARG 85 2HH2 ARG 85 -4.598 -7.891 9.844 594 H ALA 86 H ALA 86 -6.329 0.994 9.465 595 HA ALA 86 HA ALA 86 -7.246 2.984 11.203 596 HB1 ALA 86 3HB ALA 86 -5.846 3.354 8.560 597 HB2 ALA 86 1HB ALA 86 -5.055 3.038 10.104 598 HB3 ALA 86 2HB ALA 86 -5.952 4.536 9.864 599 H ILE 87 H ILE 87 -7.931 2.594 7.709 600 HA ILE 87 HA ILE 87 -10.092 4.549 8.043 601 HB ILE 87 HB ILE 87 -10.160 4.628 5.537 602 HG12 ILE 87 1HG1 ILE 87 -7.922 3.823 4.462 603 HG13 ILE 87 2HG1 ILE 87 -7.827 2.743 5.846 604 HG21 ILE 87 1HG2 ILE 87 -8.990 6.310 6.814 605 HG22 ILE 87 2HG2 ILE 87 -8.127 5.973 5.314 606 HG23 ILE 87 3HG2 ILE 87 -7.536 5.313 6.840 607 HD11 ILE 87 3HD1 ILE 87 -8.761 1.623 3.907 608 HD12 ILE 87 1HD1 ILE 87 -10.047 2.827 3.812 609 HD13 ILE 87 2HD1 ILE 87 -9.958 1.739 5.196 610 H GLY 88 H GLY 88 -9.784 1.303 8.204 611 HA2 GLY 88 1HA GLY 88 -11.835 0.306 6.586 612 HA3 GLY 88 2HA GLY 88 -11.223 -0.444 8.042 613 H LYS 89 H LYS 89 -12.132 2.255 9.436 614 HA LYS 89 HA LYS 89 -14.746 1.192 10.010 615 HB2 LYS 89 1HB LYS 89 -14.757 2.829 11.845 616 HB3 LYS 89 2HB LYS 89 -13.328 1.811 11.899 617 HG2 LYS 89 1HG LYS 89 -11.978 3.599 10.974 618 HG3 LYS 89 2HG LYS 89 -13.411 4.616 10.801 619 HD2 LYS 89 1HD LYS 89 -13.728 4.584 13.227 620 HD3 LYS 89 2HD LYS 89 -12.308 3.554 13.405 621 HE2 LYS 89 1HE LYS 89 -12.338 6.357 12.282 622 HE3 LYS 89 2HE LYS 89 -11.795 5.899 13.893 623 HZ1 LYS 89 3HZ LYS 89 -9.902 6.140 12.502 624 HZ2 LYS 89 1HZ LYS 89 -10.553 5.134 11.306 625 HZ3 LYS 89 2HZ LYS 89 -10.097 4.485 12.799 626 H LYS 90 H LYS 90 -16.586 2.141 9.497 627 HA LYS 90 HA LYS 90 -18.120 3.526 8.578 628 HB2 LYS 90 1HB LYS 90 -15.964 5.650 8.628 629 HB3 LYS 90 2HB LYS 90 -17.682 5.922 8.379 630 HG2 LYS 90 1HG LYS 90 -18.142 5.149 10.647 631 HG3 LYS 90 2HG LYS 90 -16.426 4.833 10.894 632 HD2 LYS 90 1HD LYS 90 -16.959 6.946 11.902 633 HD3 LYS 90 2HD LYS 90 -15.983 7.246 10.465 634 HE2 LYS 90 1HE LYS 90 -17.796 8.835 10.549 635 HE3 LYS 90 2HE LYS 90 -18.052 7.732 9.200 636 HZ1 LYS 90 3HZ LYS 90 -19.619 6.491 10.606 637 HZ2 LYS 90 1HZ LYS 90 -20.092 8.097 10.388 638 HZ3 LYS 90 2HZ LYS 90 -19.395 7.615 11.847 Start of MODEL 17 1 H ASN 7 H ASN 7 1.479 -18.748 -4.807 2 HA ASN 7 HA ASN 7 3.672 -20.396 -3.959 3 HB2 ASN 7 1HB ASN 7 3.330 -21.495 -5.912 4 HB3 ASN 7 2HB ASN 7 1.912 -20.472 -6.104 5 HD21 ASN 7 2HD2 ASN 7 2.087 -18.603 -7.418 6 HD22 ASN 7 1HD2 ASN 7 3.309 -18.464 -8.629 7 H GLY 8 H GLY 8 3.268 -17.226 -5.190 8 HA2 GLY 8 1HA GLY 8 5.792 -16.310 -4.680 9 HA3 GLY 8 2HA GLY 8 5.858 -16.914 -6.331 10 H LEU 9 H LEU 9 5.436 -14.243 -4.574 11 HA LEU 9 HA LEU 9 3.654 -13.021 -6.532 12 HB2 LEU 9 1HB LEU 9 3.556 -11.134 -4.708 13 HB3 LEU 9 2HB LEU 9 2.557 -12.556 -4.558 14 HG LEU 9 HG LEU 9 3.547 -11.755 -2.418 15 HD11 LEU 9 1HD1 LEU 9 4.335 -14.532 -3.267 16 HD12 LEU 9 2HD1 LEU 9 2.810 -14.027 -2.543 17 HD13 LEU 9 3HD1 LEU 9 4.297 -13.955 -1.601 18 HD21 LEU 9 3HD2 LEU 9 5.915 -12.192 -1.937 19 HD22 LEU 9 1HD2 LEU 9 5.712 -10.988 -3.210 20 HD23 LEU 9 2HD2 LEU 9 6.167 -12.640 -3.623 21 HA PRO 10 HA PRO 10 6.732 -10.475 -8.343 22 HB2 PRO 10 1HB PRO 10 5.191 -8.089 -7.413 23 HB3 PRO 10 2HB PRO 10 5.787 -8.480 -9.031 24 HG2 PRO 10 1HG PRO 10 3.219 -8.775 -8.455 25 HG3 PRO 10 2HG PRO 10 4.061 -9.981 -9.445 26 HD2 PRO 10 1HD PRO 10 3.236 -10.121 -6.582 27 HD3 PRO 10 2HD PRO 10 3.253 -11.398 -7.817 28 H SER 11 H SER 11 8.630 -9.525 -7.778 29 HA SER 11 HA SER 11 9.425 -9.449 -5.095 30 HB2 SER 11 1HB SER 11 11.464 -8.256 -6.031 31 HB3 SER 11 2HB SER 11 11.085 -9.819 -6.755 32 HG SER 11 HG SER 11 9.779 -7.893 -8.099 33 H GLU 12 H GLU 12 8.175 -6.981 -7.219 34 HA GLU 12 HA GLU 12 8.804 -4.749 -5.585 35 HB2 GLU 12 1HB GLU 12 6.915 -3.661 -6.986 36 HB3 GLU 12 2HB GLU 12 8.383 -4.169 -7.802 37 HG2 GLU 12 1HG GLU 12 6.038 -6.018 -7.690 38 HG3 GLU 12 2HG GLU 12 6.045 -4.679 -8.836 39 H THR 13 H THR 13 6.463 -7.189 -5.346 40 HA THR 13 HA THR 13 4.713 -5.649 -3.597 41 HB THR 13 HB THR 13 4.544 -8.585 -4.301 42 HG1 THR 13 HG1 THR 13 4.059 -6.331 -5.820 43 HG21 THR 13 3HG2 THR 13 2.420 -6.588 -3.499 44 HG22 THR 13 1HG2 THR 13 3.140 -7.795 -2.430 45 HG23 THR 13 2HG2 THR 13 2.177 -8.309 -3.815 46 H TYR 14 H TYR 14 7.334 -7.871 -3.494 47 HA TYR 14 HA TYR 14 6.836 -8.916 -0.881 48 HB2 TYR 14 1HB TYR 14 7.898 -10.336 -2.479 49 HB3 TYR 14 2HB TYR 14 9.148 -9.142 -2.799 50 HD1 TYR 14 HD1 TYR 14 7.871 -11.538 -0.303 51 HD2 TYR 14 HD2 TYR 14 11.083 -9.013 -1.461 52 HE1 TYR 14 HE1 TYR 14 9.289 -12.572 1.402 53 HE2 TYR 14 HE2 TYR 14 12.511 -10.026 0.228 54 HH TYR 14 HH TYR 14 12.241 -11.240 2.381 55 H ILE 15 H ILE 15 8.504 -6.135 -2.104 56 HA ILE 15 HA ILE 15 10.266 -5.988 0.179 57 HB ILE 15 HB ILE 15 10.929 -3.726 -0.870 58 HG12 ILE 15 1HG1 ILE 15 10.578 -3.748 -3.389 59 HG13 ILE 15 2HG1 ILE 15 9.328 -4.949 -3.121 60 HG21 ILE 15 1HG2 ILE 15 11.464 -6.321 -2.297 61 HG22 ILE 15 2HG2 ILE 15 12.332 -5.690 -0.897 62 HG23 ILE 15 3HG2 ILE 15 12.432 -4.854 -2.447 63 HD11 ILE 15 3HD1 ILE 15 8.079 -3.340 -1.770 64 HD12 ILE 15 1HD1 ILE 15 8.386 -2.725 -3.393 65 HD13 ILE 15 2HD1 ILE 15 9.345 -2.141 -2.033 66 H THR 16 H THR 16 10.448 -3.516 1.029 67 HA THR 16 HA THR 16 7.933 -3.247 2.436 68 HB THR 16 HB THR 16 9.867 -3.200 3.868 69 HG1 THR 16 HG1 THR 16 8.534 -1.804 4.811 70 HG21 THR 16 3HG2 THR 16 10.832 -0.850 2.240 71 HG22 THR 16 1HG2 THR 16 11.541 -2.465 2.242 72 HG23 THR 16 2HG2 THR 16 11.591 -1.474 3.702 73 H CYS 17 H CYS 17 6.861 -1.281 2.708 74 HA CYS 17 HA CYS 17 6.352 0.115 0.333 75 HB2 CYS 17 1HB CYS 17 5.285 1.673 2.284 76 HB3 CYS 17 2HB CYS 17 4.520 0.228 1.619 77 H ALA 18 H ALA 18 8.525 0.744 3.003 78 HA ALA 18 HA ALA 18 9.011 3.475 2.554 79 HB1 ALA 18 3HB ALA 18 9.781 2.302 4.563 80 HB2 ALA 18 1HB ALA 18 11.121 3.108 3.748 81 HB3 ALA 18 2HB ALA 18 10.912 1.364 3.587 82 H GLU 19 H GLU 19 10.457 0.561 1.194 83 HA GLU 19 HA GLU 19 12.214 2.038 -0.539 84 HB2 GLU 19 1HB GLU 19 12.860 -0.153 0.419 85 HB3 GLU 19 2HB GLU 19 11.551 -0.915 -0.470 86 HG2 GLU 19 1HG GLU 19 12.604 -0.368 -2.570 87 HG3 GLU 19 2HG GLU 19 13.869 0.529 -1.733 88 H ALA 20 H ALA 20 8.977 0.838 -0.625 89 HA ALA 20 HA ALA 20 8.732 0.476 -3.396 90 HB1 ALA 20 3HB ALA 20 6.329 0.502 -3.013 91 HB2 ALA 20 1HB ALA 20 6.580 1.171 -1.400 92 HB3 ALA 20 2HB ALA 20 7.140 -0.459 -1.775 93 H ASN 21 H ASN 21 8.661 3.211 -1.291 94 HA ASN 21 HA ASN 21 7.417 5.076 -3.042 95 HB2 ASN 21 1HB ASN 21 7.626 5.476 -0.614 96 HB3 ASN 21 2HB ASN 21 9.376 5.563 -0.783 97 HD21 ASN 21 2HD2 ASN 21 9.441 7.636 0.023 98 HD22 ASN 21 1HD2 ASN 21 8.900 9.005 -0.880 99 H GLU 22 H GLU 22 10.807 4.447 -2.221 100 HA GLU 22 HA GLU 22 12.043 6.089 -4.072 101 HB2 GLU 22 1HB GLU 22 12.876 3.400 -2.989 102 HB3 GLU 22 2HB GLU 22 13.913 4.368 -4.024 103 HG2 GLU 22 1HG GLU 22 12.806 5.263 -1.374 104 HG3 GLU 22 2HG GLU 22 14.426 4.618 -1.635 105 H MET 23 H MET 23 10.903 2.754 -4.496 106 HA MET 23 HA MET 23 11.647 2.511 -7.197 107 HB2 MET 23 1HB MET 23 11.099 0.584 -5.788 108 HB3 MET 23 2HB MET 23 9.434 1.131 -5.668 109 HG2 MET 23 1HG MET 23 9.070 0.728 -8.004 110 HG3 MET 23 2HG MET 23 10.776 0.356 -8.248 111 HE1 MET 23 3HE MET 23 7.428 -0.822 -6.513 112 HE2 MET 23 1HE MET 23 8.575 -0.709 -5.177 113 HE3 MET 23 2HE MET 23 7.974 -2.284 -5.690 114 H ALA 24 H ALA 24 8.630 3.507 -5.683 115 HA ALA 24 HA ALA 24 7.011 3.958 -7.862 116 HB1 ALA 24 3HB ALA 24 5.806 5.618 -6.560 117 HB2 ALA 24 1HB ALA 24 7.175 5.774 -5.459 118 HB3 ALA 24 2HB ALA 24 6.275 4.260 -5.537 119 H LYS 25 H LYS 25 9.777 5.854 -6.925 120 HA LYS 25 HA LYS 25 9.223 8.147 -8.479 121 HB2 LYS 25 1HB LYS 25 11.828 6.978 -7.517 122 HB3 LYS 25 2HB LYS 25 11.693 8.543 -8.307 123 HG2 LYS 25 1HG LYS 25 10.299 9.376 -6.533 124 HG3 LYS 25 2HG LYS 25 10.266 7.785 -5.770 125 HD2 LYS 25 1HD LYS 25 12.636 7.901 -5.334 126 HD3 LYS 25 2HD LYS 25 12.751 9.426 -6.214 127 HE2 LYS 25 1HE LYS 25 11.337 10.513 -4.592 128 HE3 LYS 25 2HE LYS 25 11.090 8.989 -3.740 129 HZ1 LYS 25 3HZ LYS 25 12.754 10.471 -2.719 130 HZ2 LYS 25 1HZ LYS 25 13.736 10.284 -4.084 131 HZ3 LYS 25 2HZ LYS 25 13.365 8.941 -3.110 132 H THR 26 H THR 26 10.112 5.017 -9.364 133 HA THR 26 HA THR 26 10.766 5.928 -12.095 134 HB THR 26 HB THR 26 12.027 3.790 -12.411 135 HG1 THR 26 HG1 THR 26 11.238 2.459 -10.817 136 HG21 THR 26 3HG2 THR 26 13.237 5.842 -11.865 137 HG22 THR 26 1HG2 THR 26 14.012 4.446 -11.117 138 HG23 THR 26 2HG2 THR 26 13.015 5.528 -10.144 139 H ASP 27 H ASP 27 9.184 3.505 -10.107 140 HA ASP 27 HA ASP 27 7.510 2.745 -12.408 141 HB2 ASP 27 1HB ASP 27 8.279 0.998 -10.054 142 HB3 ASP 27 2HB ASP 27 7.331 0.513 -11.453 143 H SER 28 H SER 28 6.539 4.839 -11.237 144 HA SER 28 HA SER 28 5.171 4.635 -8.823 145 HB2 SER 28 1HB SER 28 3.770 6.519 -9.753 146 HB3 SER 28 2HB SER 28 5.513 6.787 -9.810 147 HG SER 28 HG SER 28 4.956 7.272 -11.827 148 H ALA 29 H ALA 29 4.065 3.925 -12.118 149 HA ALA 29 HA ALA 29 1.389 3.362 -11.392 150 HB1 ALA 29 3HB ALA 29 2.924 2.434 -13.820 151 HB2 ALA 29 1HB ALA 29 2.071 3.971 -13.676 152 HB3 ALA 29 2HB ALA 29 1.171 2.455 -13.635 153 H GLN 30 H GLN 30 4.301 1.571 -11.191 154 HA GLN 30 HA GLN 30 3.086 -1.024 -11.198 155 HB2 GLN 30 1HB GLN 30 5.445 -0.672 -11.837 156 HB3 GLN 30 2HB GLN 30 5.803 -0.169 -10.191 157 HG2 GLN 30 1HG GLN 30 6.504 -2.449 -10.564 158 HG3 GLN 30 2HG GLN 30 5.204 -2.387 -9.376 159 HE21 GLN 30 2HE2 GLN 30 3.163 -3.169 -9.936 160 HE22 GLN 30 1HE2 GLN 30 2.916 -4.196 -11.305 161 H VAL 31 H VAL 31 4.102 1.288 -8.746 162 HA VAL 31 HA VAL 31 3.571 -0.457 -6.533 163 HB VAL 31 HB VAL 31 3.919 2.556 -6.559 164 HG11 VAL 31 1HG1 VAL 31 2.863 1.752 -4.514 165 HG12 VAL 31 2HG1 VAL 31 4.510 2.296 -4.193 166 HG13 VAL 31 3HG1 VAL 31 4.156 0.573 -4.296 167 HG21 VAL 31 3HG2 VAL 31 5.855 1.412 -7.517 168 HG22 VAL 31 1HG2 VAL 31 5.957 0.391 -6.084 169 HG23 VAL 31 2HG2 VAL 31 6.245 2.126 -5.950 170 H ALA 32 H ALA 32 1.851 1.864 -8.427 171 HA ALA 32 HA ALA 32 -0.262 2.380 -6.603 172 HB1 ALA 32 3HB ALA 32 0.285 3.910 -8.427 173 HB2 ALA 32 1HB ALA 32 -1.393 3.378 -8.521 174 HB3 ALA 32 2HB ALA 32 -0.187 2.682 -9.603 175 H GLU 33 H GLU 33 0.354 -0.024 -9.065 176 HA GLU 33 HA GLU 33 -2.266 -1.065 -9.205 177 HB2 GLU 33 1HB GLU 33 0.400 -2.311 -9.844 178 HB3 GLU 33 2HB GLU 33 -1.141 -3.093 -10.155 179 HG2 GLU 33 1HG GLU 33 -0.171 -0.511 -11.339 180 HG3 GLU 33 2HG GLU 33 -0.311 -2.067 -12.158 181 H ILE 34 H ILE 34 0.518 -1.900 -7.191 182 HA ILE 34 HA ILE 34 -0.701 -4.259 -6.163 183 HB ILE 34 HB ILE 34 1.763 -2.710 -5.406 184 HG12 ILE 34 1HG1 ILE 34 2.839 -4.924 -5.794 185 HG13 ILE 34 2HG1 ILE 34 1.265 -5.593 -6.190 186 HG21 ILE 34 1HG2 ILE 34 0.579 -4.950 -3.770 187 HG22 ILE 34 2HG2 ILE 34 0.795 -3.277 -3.260 188 HG23 ILE 34 3HG2 ILE 34 2.202 -4.294 -3.571 189 HD11 ILE 34 3HD1 ILE 34 1.120 -4.090 -8.109 190 HD12 ILE 34 1HD1 ILE 34 2.550 -5.119 -8.185 191 HD13 ILE 34 2HD1 ILE 34 2.706 -3.429 -7.703 192 H VAL 35 H VAL 35 -0.305 -0.963 -4.963 193 HA VAL 35 HA VAL 35 -1.589 -1.487 -2.485 194 HB VAL 35 HB VAL 35 -1.776 0.929 -2.203 195 HG11 VAL 35 1HG1 VAL 35 0.606 1.488 -2.316 196 HG12 VAL 35 2HG1 VAL 35 0.873 0.086 -3.353 197 HG13 VAL 35 3HG1 VAL 35 0.337 -0.139 -1.688 198 HG21 VAL 35 3HG2 VAL 35 -0.956 2.476 -3.932 199 HG22 VAL 35 1HG2 VAL 35 -2.382 1.582 -4.463 200 HG23 VAL 35 2HG2 VAL 35 -0.784 1.115 -5.042 201 H ALA 36 H ALA 36 -2.809 -0.744 -5.645 202 HA ALA 36 HA ALA 36 -5.460 -0.105 -4.696 203 HB1 ALA 36 3HB ALA 36 -4.579 1.020 -6.675 204 HB2 ALA 36 1HB ALA 36 -6.051 0.121 -7.043 205 HB3 ALA 36 2HB ALA 36 -4.479 -0.529 -7.512 206 H VAL 37 H VAL 37 -4.087 -2.683 -6.760 207 HA VAL 37 HA VAL 37 -6.434 -4.113 -7.095 208 HB VAL 37 HB VAL 37 -3.594 -5.159 -7.129 209 HG11 VAL 37 1HG1 VAL 37 -5.141 -7.011 -6.748 210 HG12 VAL 37 2HG1 VAL 37 -4.489 -7.076 -8.385 211 HG13 VAL 37 3HG1 VAL 37 -6.127 -6.484 -8.111 212 HG21 VAL 37 3HG2 VAL 37 -4.079 -3.436 -8.794 213 HG22 VAL 37 1HG2 VAL 37 -5.479 -4.355 -9.348 214 HG23 VAL 37 2HG2 VAL 37 -3.854 -5.008 -9.561 215 H MET 38 H MET 38 -3.798 -5.293 -4.819 216 HA MET 38 HA MET 38 -5.607 -7.001 -3.580 217 HB2 MET 38 1HB MET 38 -3.185 -7.364 -3.624 218 HB3 MET 38 2HB MET 38 -2.948 -5.927 -2.642 219 HG2 MET 38 1HG MET 38 -4.374 -7.051 -0.883 220 HG3 MET 38 2HG MET 38 -4.237 -8.520 -1.845 221 HE1 MET 38 3HE MET 38 -2.423 -5.846 0.290 222 HE2 MET 38 1HE MET 38 -1.514 -5.689 -1.212 223 HE3 MET 38 2HE MET 38 -0.734 -6.350 0.226 224 H GLY 39 H GLY 39 -4.434 -3.761 -2.826 225 HA2 GLY 39 1HA GLY 39 -5.246 -3.529 -0.195 226 HA3 GLY 39 2HA GLY 39 -5.175 -2.192 -1.329 227 H ASN 40 H ASN 40 -7.132 -2.398 -2.990 228 HA ASN 40 HA ASN 40 -9.410 -1.668 -1.595 229 HB2 ASN 40 1HB ASN 40 -10.305 -1.188 -3.636 230 HB3 ASN 40 2HB ASN 40 -8.657 -1.527 -4.168 231 HD21 ASN 40 2HD2 ASN 40 -8.221 -3.386 -5.281 232 HD22 ASN 40 1HD2 ASN 40 -9.453 -4.381 -5.973 233 H ALA 41 H ALA 41 -8.535 -4.872 -2.759 234 HA ALA 41 HA ALA 41 -11.122 -5.974 -2.114 235 HB1 ALA 41 3HB ALA 41 -10.162 -8.110 -2.805 236 HB2 ALA 41 1HB ALA 41 -8.566 -7.364 -2.906 237 HB3 ALA 41 2HB ALA 41 -9.850 -6.852 -4.002 238 H SER 42 H SER 42 -7.916 -5.937 -0.717 239 HA SER 42 HA SER 42 -8.466 -7.744 1.370 240 HB2 SER 42 1HB SER 42 -6.176 -7.172 0.632 241 HB3 SER 42 2HB SER 42 -6.371 -5.565 1.331 242 HG SER 42 HG SER 42 -5.330 -6.937 2.807 243 H VAL 43 H VAL 43 -8.560 -4.156 1.303 244 HA VAL 43 HA VAL 43 -9.368 -3.980 4.039 245 HB VAL 43 HB VAL 43 -8.374 -2.027 2.950 246 HG11 VAL 43 1HG1 VAL 43 -10.853 -1.948 1.255 247 HG12 VAL 43 2HG1 VAL 43 -9.211 -2.316 0.718 248 HG13 VAL 43 3HG1 VAL 43 -9.601 -0.704 1.316 249 HG21 VAL 43 3HG2 VAL 43 -11.230 -1.491 3.770 250 HG22 VAL 43 1HG2 VAL 43 -9.937 -0.293 3.700 251 HG23 VAL 43 2HG2 VAL 43 -9.849 -1.623 4.858 252 H ALA 44 H ALA 44 -10.972 -4.705 1.148 253 HA ALA 44 HA ALA 44 -13.623 -4.036 1.819 254 HB1 ALA 44 3HB ALA 44 -14.281 -5.498 -0.000 255 HB2 ALA 44 1HB ALA 44 -12.676 -6.232 -0.022 256 HB3 ALA 44 2HB ALA 44 -12.877 -4.543 -0.478 257 H SER 45 H SER 45 -11.611 -6.235 3.264 258 HA SER 45 HA SER 45 -13.640 -8.268 3.783 259 HB2 SER 45 1HB SER 45 -11.894 -9.467 5.011 260 HB3 SER 45 2HB SER 45 -11.311 -8.999 3.413 261 HG SER 45 HG SER 45 -9.938 -7.618 4.289 262 H ARG 46 H ARG 46 -12.214 -5.490 5.312 263 HA ARG 46 HA ARG 46 -13.612 -6.131 7.836 264 HB2 ARG 46 1HB ARG 46 -11.345 -4.201 7.317 265 HB3 ARG 46 2HB ARG 46 -12.113 -4.465 8.874 266 HG2 ARG 46 1HG ARG 46 -11.269 -6.696 8.989 267 HG3 ARG 46 2HG ARG 46 -10.678 -6.608 7.328 268 HD2 ARG 46 1HD ARG 46 -9.101 -4.873 7.955 269 HD3 ARG 46 2HD ARG 46 -9.727 -4.869 9.602 270 HE ARG 46 HE ARG 46 -8.872 -7.157 9.802 271 HH11 ARG 46 1HH1 ARG 46 -7.530 -5.146 7.242 272 HH12 ARG 46 2HH1 ARG 46 -6.021 -6.006 7.213 273 HH21 ARG 46 1HH2 ARG 46 -6.851 -8.258 9.732 274 HH22 ARG 46 2HH2 ARG 46 -5.642 -7.736 8.605 275 H ASP 47 H ASP 47 -13.382 -3.902 5.221 276 HA ASP 47 HA ASP 47 -15.203 -2.057 6.569 277 HB2 ASP 47 1HB ASP 47 -13.140 -1.121 5.576 278 HB3 ASP 47 2HB ASP 47 -13.671 -1.672 3.993 279 H LEU 48 H LEU 48 -14.859 -3.888 3.561 280 HA LEU 48 HA LEU 48 -16.370 -4.762 2.097 281 HB2 LEU 48 1HB LEU 48 -18.382 -3.951 4.202 282 HB3 LEU 48 2HB LEU 48 -18.806 -4.816 2.742 283 HG LEU 48 HG LEU 48 -16.843 -5.911 4.752 284 HD11 LEU 48 1HD1 LEU 48 -18.963 -5.535 5.886 285 HD12 LEU 48 2HD1 LEU 48 -18.697 -7.258 5.618 286 HD13 LEU 48 3HD1 LEU 48 -19.819 -6.367 4.589 287 HD21 LEU 48 3HD2 LEU 48 -17.413 -8.039 3.688 288 HD22 LEU 48 1HD2 LEU 48 -16.767 -6.889 2.517 289 HD23 LEU 48 2HD2 LEU 48 -18.502 -7.198 2.584 290 H LYS 49 H LYS 49 -17.770 -1.865 3.499 291 HA LYS 49 HA LYS 49 -18.863 -0.911 0.994 292 HB2 LYS 49 1HB LYS 49 -19.599 0.997 2.413 293 HB3 LYS 49 2HB LYS 49 -20.080 -0.568 3.064 294 HG2 LYS 49 1HG LYS 49 -18.035 -0.468 4.528 295 HG3 LYS 49 2HG LYS 49 -17.839 1.190 3.981 296 HD2 LYS 49 1HD LYS 49 -19.899 1.840 4.982 297 HD3 LYS 49 2HD LYS 49 -20.325 0.160 5.323 298 HE2 LYS 49 1HE LYS 49 -18.332 -0.002 6.780 299 HE3 LYS 49 2HE LYS 49 -18.030 1.712 6.516 300 HZ1 LYS 49 3HZ LYS 49 -20.419 0.525 7.812 301 HZ2 LYS 49 1HZ LYS 49 -20.205 2.174 7.509 302 HZ3 LYS 49 2HZ LYS 49 -19.180 1.369 8.581 303 H ILE 50 H ILE 50 -15.982 -1.209 1.089 304 HA ILE 50 HA ILE 50 -14.658 1.213 1.633 305 HB ILE 50 HB ILE 50 -13.483 -0.942 1.570 306 HG12 ILE 50 1HG1 ILE 50 -11.487 -0.205 0.258 307 HG13 ILE 50 2HG1 ILE 50 -12.460 1.098 -0.414 308 HG21 ILE 50 1HG2 ILE 50 -13.929 -0.834 -1.409 309 HG22 ILE 50 2HG2 ILE 50 -14.634 -1.994 -0.283 310 HG23 ILE 50 3HG2 ILE 50 -12.894 -1.990 -0.569 311 HD11 ILE 50 3HD1 ILE 50 -11.816 0.721 2.503 312 HD12 ILE 50 1HD1 ILE 50 -12.755 2.044 1.810 313 HD13 ILE 50 2HD1 ILE 50 -11.046 1.874 1.412 314 H GLU 51 H GLU 51 -13.882 2.817 0.315 315 HA GLU 51 HA GLU 51 -15.495 3.545 -1.916 316 HB2 GLU 51 1HB GLU 51 -12.952 4.771 -0.832 317 HB3 GLU 51 2HB GLU 51 -14.005 5.512 -2.029 318 HG2 GLU 51 1HG GLU 51 -14.929 4.762 0.729 319 HG3 GLU 51 2HG GLU 51 -14.249 6.339 0.330 320 H GLN 52 H GLN 52 -15.226 2.166 -3.608 321 HA GLN 52 HA GLN 52 -12.646 1.294 -4.495 322 HB2 GLN 52 1HB GLN 52 -15.324 1.132 -5.884 323 HB3 GLN 52 2HB GLN 52 -13.872 0.256 -6.345 324 HG2 GLN 52 1HG GLN 52 -13.929 -0.995 -4.279 325 HG3 GLN 52 2HG GLN 52 -15.314 -0.058 -3.721 326 HE21 GLN 52 2HE2 GLN 52 -16.624 -1.858 -3.521 327 HE22 GLN 52 1HE2 GLN 52 -17.238 -2.717 -4.889 328 H SER 53 H SER 53 -11.707 3.428 -4.684 329 HA SER 53 HA SER 53 -12.141 4.585 -7.339 330 HB2 SER 53 1HB SER 53 -11.924 6.257 -4.821 331 HB3 SER 53 2HB SER 53 -12.121 6.859 -6.465 332 HG SER 53 HG SER 53 -14.055 5.052 -5.698 333 HA PRO 54 HA PRO 54 -7.678 4.582 -7.500 334 HB2 PRO 54 1HB PRO 54 -7.892 7.186 -8.916 335 HB3 PRO 54 2HB PRO 54 -7.145 5.679 -9.455 336 HG2 PRO 54 1HG PRO 54 -9.462 6.488 -10.489 337 HG3 PRO 54 2HG PRO 54 -9.163 4.773 -10.156 338 HD2 PRO 54 1HD PRO 54 -10.768 6.757 -8.590 339 HD3 PRO 54 2HD PRO 54 -11.128 5.057 -8.964 340 H GLU 55 H GLU 55 -9.494 7.274 -6.360 341 HA GLU 55 HA GLU 55 -7.444 8.908 -5.322 342 HB2 GLU 55 1HB GLU 55 -10.232 8.573 -4.213 343 HB3 GLU 55 2HB GLU 55 -9.180 9.970 -4.032 344 HG2 GLU 55 1HG GLU 55 -9.353 10.444 -6.400 345 HG3 GLU 55 2HG GLU 55 -10.339 9.002 -6.636 346 H LEU 56 H LEU 56 -9.057 6.043 -4.149 347 HA LEU 56 HA LEU 56 -8.206 6.188 -1.449 348 HB2 LEU 56 1HB LEU 56 -10.071 4.776 -2.139 349 HB3 LEU 56 2HB LEU 56 -8.997 3.817 -3.142 350 HG LEU 56 HG LEU 56 -7.773 3.172 -1.032 351 HD11 LEU 56 1HD1 LEU 56 -8.989 3.399 1.078 352 HD12 LEU 56 2HD1 LEU 56 -10.195 4.399 0.270 353 HD13 LEU 56 3HD1 LEU 56 -8.530 4.964 0.408 354 HD21 LEU 56 3HD2 LEU 56 -9.313 1.659 -2.148 355 HD22 LEU 56 1HD2 LEU 56 -10.671 2.383 -1.286 356 HD23 LEU 56 2HD2 LEU 56 -9.436 1.492 -0.397 357 H SER 57 H SER 57 -6.840 4.910 -4.392 358 HA SER 57 HA SER 57 -4.747 3.404 -3.245 359 HB2 SER 57 1HB SER 57 -4.723 4.789 -5.931 360 HB3 SER 57 2HB SER 57 -3.794 3.365 -5.455 361 HG SER 57 HG SER 57 -5.985 2.419 -5.045 362 H ALA 58 H ALA 58 -4.703 6.610 -4.743 363 HA ALA 58 HA ALA 58 -2.195 7.492 -4.081 364 HB1 ALA 58 3HB ALA 58 -4.708 9.161 -3.998 365 HB2 ALA 58 1HB ALA 58 -3.781 8.771 -5.447 366 HB3 ALA 58 2HB ALA 58 -3.062 9.768 -4.182 367 H LYS 59 H LYS 59 -5.076 7.623 -2.035 368 HA LYS 59 HA LYS 59 -3.857 8.892 0.176 369 HB2 LYS 59 1HB LYS 59 -6.282 8.858 -0.255 370 HB3 LYS 59 2HB LYS 59 -6.308 7.130 0.040 371 HG2 LYS 59 1HG LYS 59 -5.720 7.486 2.362 372 HG3 LYS 59 2HG LYS 59 -5.581 9.225 2.079 373 HD2 LYS 59 1HD LYS 59 -7.956 9.302 1.440 374 HD3 LYS 59 2HD LYS 59 -8.088 7.572 1.749 375 HE2 LYS 59 1HE LYS 59 -7.574 7.920 4.089 376 HE3 LYS 59 2HE LYS 59 -7.326 9.641 3.803 377 HZ1 LYS 59 3HZ LYS 59 -9.647 9.839 3.177 378 HZ2 LYS 59 1HZ LYS 59 -9.509 9.202 4.737 379 HZ3 LYS 59 2HZ LYS 59 -9.892 8.190 3.435 380 H VAL 60 H VAL 60 -4.753 5.511 -0.349 381 HA VAL 60 HA VAL 60 -3.710 4.481 2.032 382 HB VAL 60 HB VAL 60 -5.277 3.298 0.390 383 HG11 VAL 60 1HG1 VAL 60 -2.679 2.339 -0.788 384 HG12 VAL 60 2HG1 VAL 60 -3.800 3.451 -1.564 385 HG13 VAL 60 3HG1 VAL 60 -4.300 1.791 -1.222 386 HG21 VAL 60 3HG2 VAL 60 -4.570 1.066 1.154 387 HG22 VAL 60 1HG2 VAL 60 -4.529 2.261 2.451 388 HG23 VAL 60 2HG2 VAL 60 -3.029 1.750 1.676 389 H VAL 61 H VAL 61 -1.940 5.466 -0.747 390 HA VAL 61 HA VAL 61 0.388 3.918 0.182 391 HB VAL 61 HB VAL 61 -0.124 3.813 -2.281 392 HG11 VAL 61 1HG1 VAL 61 -0.843 6.096 -2.647 393 HG12 VAL 61 2HG1 VAL 61 0.510 5.700 -3.707 394 HG13 VAL 61 3HG1 VAL 61 0.775 6.687 -2.271 395 HG21 VAL 61 3HG2 VAL 61 2.586 4.938 -1.523 396 HG22 VAL 61 1HG2 VAL 61 2.228 4.063 -3.010 397 HG23 VAL 61 2HG2 VAL 61 2.109 3.246 -1.455 398 H GLU 62 H GLU 62 -0.882 7.096 -0.085 399 HA GLU 62 HA GLU 62 1.410 8.673 0.333 400 HB2 GLU 62 1HB GLU 62 -0.714 9.651 -0.307 401 HB3 GLU 62 2HB GLU 62 -1.453 9.107 1.189 402 HG2 GLU 62 1HG GLU 62 0.314 10.565 2.349 403 HG3 GLU 62 2HG GLU 62 0.530 11.303 0.763 404 H LYS 63 H LYS 63 -0.999 7.532 2.670 405 HA LYS 63 HA LYS 63 0.555 8.352 4.915 406 HB2 LYS 63 1HB LYS 63 -1.810 6.473 4.788 407 HB3 LYS 63 2HB LYS 63 -1.157 7.211 6.245 408 HG2 LYS 63 1HG LYS 63 -1.727 9.427 5.371 409 HG3 LYS 63 2HG LYS 63 -2.404 8.672 3.928 410 HD2 LYS 63 1HD LYS 63 -4.018 7.470 5.349 411 HD3 LYS 63 2HD LYS 63 -3.359 8.293 6.764 412 HE2 LYS 63 1HE LYS 63 -4.659 9.617 4.387 413 HE3 LYS 63 2HE LYS 63 -5.398 9.379 5.967 414 HZ1 LYS 63 3HZ LYS 63 -3.691 10.799 6.931 415 HZ2 LYS 63 1HZ LYS 63 -4.546 11.618 5.729 416 HZ3 LYS 63 2HZ LYS 63 -2.992 11.035 5.415 417 H LEU 64 H LEU 64 0.281 5.497 2.996 418 HA LEU 64 HA LEU 64 1.290 3.571 4.730 419 HB2 LEU 64 1HB LEU 64 0.244 3.132 2.560 420 HB3 LEU 64 2HB LEU 64 1.655 3.797 1.753 421 HG LEU 64 HG LEU 64 2.994 1.953 2.804 422 HD11 LEU 64 1HD1 LEU 64 1.734 0.014 3.616 423 HD12 LEU 64 2HD1 LEU 64 0.245 0.953 3.509 424 HD13 LEU 64 3HD1 LEU 64 1.512 1.432 4.638 425 HD21 LEU 64 3HD2 LEU 64 2.271 1.843 0.487 426 HD22 LEU 64 1HD2 LEU 64 0.711 1.189 0.986 427 HD23 LEU 64 2HD2 LEU 64 2.181 0.248 1.234 428 H ASN 65 H ASN 65 3.080 5.331 2.171 429 HA ASN 65 HA ASN 65 5.586 4.403 2.980 430 HB2 ASN 65 1HB ASN 65 6.583 5.980 1.509 431 HB3 ASN 65 2HB ASN 65 5.084 5.476 0.747 432 HD21 ASN 65 2HD2 ASN 65 3.428 6.975 0.500 433 HD22 ASN 65 1HD2 ASN 65 3.674 8.667 0.751 434 H GLN 66 H GLN 66 3.664 7.042 4.181 435 HA GLN 66 HA GLN 66 5.711 8.357 5.623 436 HB2 GLN 66 1HB GLN 66 2.923 8.663 5.245 437 HB3 GLN 66 2HB GLN 66 3.179 8.528 6.978 438 HG2 GLN 66 1HG GLN 66 3.223 10.838 6.349 439 HG3 GLN 66 2HG GLN 66 4.839 10.344 6.847 440 HE21 GLN 66 2HE2 GLN 66 3.381 9.573 3.746 441 HE22 GLN 66 1HE2 GLN 66 4.453 10.534 2.796 442 H VAL 67 H VAL 67 3.267 5.981 6.597 443 HA VAL 67 HA VAL 67 4.180 5.538 9.207 444 HB VAL 67 HB VAL 67 2.783 3.592 7.350 445 HG11 VAL 67 1HG1 VAL 67 3.079 3.510 10.348 446 HG12 VAL 67 2HG1 VAL 67 3.822 2.402 9.192 447 HG13 VAL 67 3HG1 VAL 67 2.068 2.429 9.390 448 HG21 VAL 67 3HG2 VAL 67 0.739 4.286 8.499 449 HG22 VAL 67 1HG2 VAL 67 1.524 5.655 7.714 450 HG23 VAL 67 2HG2 VAL 67 1.664 5.439 9.459 451 H CYS 68 H CYS 68 5.009 3.847 6.175 452 HA CYS 68 HA CYS 68 6.815 2.021 7.369 453 HB2 CYS 68 1HB CYS 68 6.701 2.938 4.503 454 HB3 CYS 68 2HB CYS 68 7.392 1.436 5.113 455 H ALA 69 H ALA 69 7.095 5.305 6.767 456 HA ALA 69 HA ALA 69 9.981 5.290 6.366 457 HB1 ALA 69 3HB ALA 69 8.635 7.067 5.320 458 HB2 ALA 69 1HB ALA 69 9.816 7.734 6.448 459 HB3 ALA 69 2HB ALA 69 8.120 7.612 6.916 460 H LYS 70 H LYS 70 7.680 5.328 8.875 461 HA LYS 70 HA LYS 70 9.520 6.255 10.906 462 HB2 LYS 70 1HB LYS 70 6.723 5.136 11.177 463 HB3 LYS 70 2HB LYS 70 7.644 5.938 12.442 464 HG2 LYS 70 1HG LYS 70 7.596 8.016 11.207 465 HG3 LYS 70 2HG LYS 70 6.764 7.228 9.869 466 HD2 LYS 70 1HD LYS 70 4.880 6.724 11.399 467 HD3 LYS 70 2HD LYS 70 5.709 7.629 12.668 468 HE2 LYS 70 1HE LYS 70 5.670 9.630 11.242 469 HE3 LYS 70 2HE LYS 70 4.810 8.718 10.003 470 HZ1 LYS 70 3HZ LYS 70 3.810 9.309 12.738 471 HZ2 LYS 70 1HZ LYS 70 2.986 8.406 11.570 472 HZ3 LYS 70 2HZ LYS 70 3.293 10.046 11.310 473 H ASP 71 H ASP 71 8.457 3.297 9.464 474 HA ASP 71 HA ASP 71 10.328 1.826 11.075 475 HB2 ASP 71 1HB ASP 71 8.282 1.629 12.430 476 HB3 ASP 71 2HB ASP 71 7.413 1.027 11.023 477 HA PRO 72 HA PRO 72 10.428 0.565 6.710 478 HB2 PRO 72 1HB PRO 72 13.122 -0.352 7.462 479 HB3 PRO 72 2HB PRO 72 12.640 0.795 6.209 480 HG2 PRO 72 1HG PRO 72 13.882 1.609 8.442 481 HG3 PRO 72 2HG PRO 72 12.625 2.590 7.668 482 HD2 PRO 72 1HD PRO 72 12.421 0.803 10.067 483 HD3 PRO 72 2HD PRO 72 11.756 2.433 9.811 484 H GLN 73 H GLN 73 10.807 -1.227 9.647 485 HA GLN 73 HA GLN 73 11.315 -3.778 8.574 486 HB2 GLN 73 1HB GLN 73 9.885 -3.083 11.138 487 HB3 GLN 73 2HB GLN 73 10.649 -4.618 10.748 488 HG2 GLN 73 1HG GLN 73 12.025 -1.973 11.117 489 HG3 GLN 73 2HG GLN 73 12.040 -3.333 12.234 490 HE21 GLN 73 2HE2 GLN 73 14.197 -1.938 10.842 491 HE22 GLN 73 1HE2 GLN 73 15.076 -3.164 10.000 492 H MET 74 H MET 74 8.523 -1.843 8.553 493 HA MET 74 HA MET 74 6.622 -3.993 8.485 494 HB2 MET 74 1HB MET 74 6.392 -1.049 7.872 495 HB3 MET 74 2HB MET 74 5.049 -2.165 7.685 496 HG2 MET 74 1HG MET 74 5.220 -2.728 10.075 497 HG3 MET 74 2HG MET 74 6.513 -1.541 10.238 498 HE1 MET 74 3HE MET 74 3.367 0.044 12.057 499 HE2 MET 74 1HE MET 74 5.038 -0.481 12.263 500 HE3 MET 74 2HE MET 74 3.773 -1.669 11.958 501 H LEU 75 H LEU 75 6.614 -5.354 6.844 502 HA LEU 75 HA LEU 75 7.543 -4.769 4.236 503 HB2 LEU 75 1HB LEU 75 5.699 -6.976 5.158 504 HB3 LEU 75 2HB LEU 75 6.513 -6.918 3.608 505 HG LEU 75 HG LEU 75 7.872 -7.156 6.295 506 HD11 LEU 75 1HD1 LEU 75 6.662 -9.175 5.677 507 HD12 LEU 75 2HD1 LEU 75 8.404 -9.425 5.570 508 HD13 LEU 75 3HD1 LEU 75 7.457 -9.183 4.103 509 HD21 LEU 75 3HD2 LEU 75 9.902 -7.571 4.972 510 HD22 LEU 75 1HD2 LEU 75 9.258 -5.954 4.692 511 HD23 LEU 75 2HD2 LEU 75 9.004 -7.223 3.496 512 H LEU 76 H LEU 76 6.270 -4.682 2.269 513 HA LEU 76 HA LEU 76 4.357 -2.703 2.271 514 HB2 LEU 76 1HB LEU 76 5.642 -3.455 0.310 515 HB3 LEU 76 2HB LEU 76 4.671 -4.914 0.244 516 HG LEU 76 HG LEU 76 2.680 -3.568 -0.266 517 HD11 LEU 76 1HD1 LEU 76 4.598 -1.244 -0.266 518 HD12 LEU 76 2HD1 LEU 76 3.293 -1.519 0.888 519 HD13 LEU 76 3HD1 LEU 76 2.919 -1.195 -0.805 520 HD21 LEU 76 3HD2 LEU 76 3.365 -2.865 -2.519 521 HD22 LEU 76 1HD2 LEU 76 4.000 -4.453 -2.091 522 HD23 LEU 76 2HD2 LEU 76 5.054 -3.041 -2.046 523 H ILE 77 H ILE 77 3.763 -6.201 2.014 524 HA ILE 77 HA ILE 77 0.991 -6.145 1.837 525 HB ILE 77 HB ILE 77 2.695 -8.247 3.193 526 HG12 ILE 77 1HG1 ILE 77 3.379 -7.858 0.874 527 HG13 ILE 77 2HG1 ILE 77 2.596 -9.425 1.031 528 HG21 ILE 77 1HG2 ILE 77 0.839 -9.786 2.741 529 HG22 ILE 77 2HG2 ILE 77 -0.117 -8.442 2.117 530 HG23 ILE 77 3HG2 ILE 77 0.355 -8.475 3.816 531 HD11 ILE 77 3HD1 ILE 77 1.852 -8.387 -0.988 532 HD12 ILE 77 1HD1 ILE 77 1.411 -6.912 -0.128 533 HD13 ILE 77 2HD1 ILE 77 0.511 -8.399 0.153 534 H THR 78 H THR 78 2.983 -6.447 4.784 535 HA THR 78 HA THR 78 0.827 -6.542 6.582 536 HB THR 78 HB THR 78 3.650 -5.600 7.114 537 HG1 THR 78 HG1 THR 78 2.472 -8.197 7.066 538 HG21 THR 78 3HG2 THR 78 1.559 -6.800 8.940 539 HG22 THR 78 1HG2 THR 78 2.088 -5.118 8.944 540 HG23 THR 78 2HG2 THR 78 3.213 -6.398 9.401 541 H ALA 79 H ALA 79 2.972 -3.850 5.679 542 HA ALA 79 HA ALA 79 1.807 -1.863 7.186 543 HB1 ALA 79 3HB ALA 79 3.895 -1.630 5.953 544 HB2 ALA 79 1HB ALA 79 2.791 -0.289 5.653 545 HB3 ALA 79 2HB ALA 79 2.986 -1.558 4.445 546 H ILE 80 H ILE 80 0.861 -2.881 3.876 547 HA ILE 80 HA ILE 80 -1.195 -0.987 3.559 548 HB ILE 80 HB ILE 80 -0.991 -3.786 2.388 549 HG12 ILE 80 1HG1 ILE 80 -0.357 -1.065 1.217 550 HG13 ILE 80 2HG1 ILE 80 0.817 -2.287 1.693 551 HG21 ILE 80 1HG2 ILE 80 -3.317 -3.075 2.363 552 HG22 ILE 80 2HG2 ILE 80 -2.657 -3.046 0.727 553 HG23 ILE 80 3HG2 ILE 80 -2.860 -1.540 1.622 554 HD11 ILE 80 3HD1 ILE 80 -0.040 -3.778 -0.053 555 HD12 ILE 80 1HD1 ILE 80 0.518 -2.245 -0.721 556 HD13 ILE 80 2HD1 ILE 80 -1.208 -2.548 -0.529 557 H ASP 81 H ASP 81 -1.139 -4.163 5.058 558 HA ASP 81 HA ASP 81 -3.872 -4.435 5.605 559 HB2 ASP 81 1HB ASP 81 -2.286 -6.282 5.883 560 HB3 ASP 81 2HB ASP 81 -1.519 -5.432 7.218 561 H ASP 82 H ASP 82 -1.275 -3.046 7.576 562 HA ASP 82 HA ASP 82 -2.879 -2.420 9.803 563 HB2 ASP 82 1HB ASP 82 -0.406 -2.553 9.869 564 HB3 ASP 82 2HB ASP 82 -0.329 -1.040 8.971 565 H THR 83 H THR 83 -2.073 -0.480 6.924 566 HA THR 83 HA THR 83 -3.182 1.908 7.981 567 HB THR 83 HB THR 83 -3.171 2.565 5.473 568 HG1 THR 83 HG1 THR 83 -1.375 0.406 5.210 569 HG21 THR 83 3HG2 THR 83 -0.596 1.784 6.853 570 HG22 THR 83 1HG2 THR 83 -1.471 3.298 7.084 571 HG23 THR 83 2HG2 THR 83 -0.743 2.929 5.520 572 H MET 84 H MET 84 -4.381 -0.743 6.003 573 HA MET 84 HA MET 84 -6.915 0.462 5.499 574 HB2 MET 84 1HB MET 84 -6.062 -2.410 5.409 575 HB3 MET 84 2HB MET 84 -7.611 -1.808 4.839 576 HG2 MET 84 1HG MET 84 -6.442 -0.440 3.170 577 HG3 MET 84 2HG MET 84 -4.904 -1.100 3.735 578 HE1 MET 84 3HE MET 84 -4.927 -3.919 4.148 579 HE2 MET 84 1HE MET 84 -5.966 -4.985 3.199 580 HE3 MET 84 2HE MET 84 -6.662 -3.969 4.466 581 H ARG 85 H ARG 85 -5.533 -1.358 8.109 582 HA ARG 85 HA ARG 85 -7.981 -2.071 9.368 583 HB2 ARG 85 1HB ARG 85 -5.208 -1.628 10.489 584 HB3 ARG 85 2HB ARG 85 -6.562 -2.157 11.472 585 HG2 ARG 85 1HG ARG 85 -6.763 -4.180 10.129 586 HG3 ARG 85 2HG ARG 85 -5.428 -3.639 9.107 587 HD2 ARG 85 1HD ARG 85 -4.655 -5.249 10.764 588 HD3 ARG 85 2HD ARG 85 -3.936 -3.665 11.048 589 HE ARG 85 HE ARG 85 -6.252 -4.668 12.568 590 HH11 ARG 85 1HH1 ARG 85 -3.088 -3.101 12.475 591 HH12 ARG 85 2HH1 ARG 85 -3.078 -2.764 14.169 592 HH21 ARG 85 1HH2 ARG 85 -6.204 -4.212 14.813 593 HH22 ARG 85 2HH2 ARG 85 -4.835 -3.400 15.492 594 H ALA 86 H ALA 86 -5.849 0.703 9.492 595 HA ALA 86 HA ALA 86 -7.194 2.133 11.498 596 HB1 ALA 86 3HB ALA 86 -4.910 2.651 10.782 597 HB2 ALA 86 1HB ALA 86 -5.954 4.070 10.699 598 HB3 ALA 86 2HB ALA 86 -5.527 3.203 9.224 599 H ILE 87 H ILE 87 -7.451 2.340 7.908 600 HA ILE 87 HA ILE 87 -9.663 4.204 8.199 601 HB ILE 87 HB ILE 87 -9.666 4.293 5.737 602 HG12 ILE 87 1HG1 ILE 87 -7.315 2.397 5.898 603 HG13 ILE 87 2HG1 ILE 87 -8.930 1.933 5.377 604 HG21 ILE 87 1HG2 ILE 87 -8.246 5.819 6.987 605 HG22 ILE 87 2HG2 ILE 87 -7.475 5.364 5.468 606 HG23 ILE 87 3HG2 ILE 87 -6.940 4.634 6.982 607 HD11 ILE 87 3HD1 ILE 87 -7.142 3.940 4.022 608 HD12 ILE 87 1HD1 ILE 87 -8.757 3.470 3.493 609 HD13 ILE 87 2HD1 ILE 87 -7.450 2.288 3.487 610 H GLY 88 H GLY 88 -9.406 0.951 8.374 611 HA2 GLY 88 1HA GLY 88 -11.462 -0.067 6.761 612 HA3 GLY 88 2HA GLY 88 -10.886 -0.783 8.249 613 H LYS 89 H LYS 89 -11.675 1.888 9.597 614 HA LYS 89 HA LYS 89 -14.509 1.188 9.802 615 HB2 LYS 89 1HB LYS 89 -13.371 0.743 11.901 616 HB3 LYS 89 2HB LYS 89 -12.670 2.358 11.900 617 HG2 LYS 89 1HG LYS 89 -15.010 3.270 11.966 618 HG3 LYS 89 2HG LYS 89 -15.569 1.620 12.225 619 HD2 LYS 89 1HD LYS 89 -14.309 1.479 14.280 620 HD3 LYS 89 2HD LYS 89 -13.612 3.075 13.994 621 HE2 LYS 89 1HE LYS 89 -16.548 2.492 14.394 622 HE3 LYS 89 2HE LYS 89 -15.463 3.145 15.617 623 HZ1 LYS 89 3HZ LYS 89 -16.182 4.475 13.045 624 HZ2 LYS 89 1HZ LYS 89 -15.123 5.092 14.214 625 HZ3 LYS 89 2HZ LYS 89 -16.755 4.892 14.576 626 H LYS 90 H LYS 90 -15.931 2.719 9.444 627 HA LYS 90 HA LYS 90 -14.939 5.460 9.068 628 HB2 LYS 90 1HB LYS 90 -17.573 4.382 8.062 629 HB3 LYS 90 2HB LYS 90 -16.747 5.851 7.562 630 HG2 LYS 90 1HG LYS 90 -14.923 4.390 6.651 631 HG3 LYS 90 2HG LYS 90 -15.979 3.013 6.957 632 HD2 LYS 90 1HD LYS 90 -17.714 4.269 5.561 633 HD3 LYS 90 2HD LYS 90 -16.370 5.295 5.046 634 HE2 LYS 90 1HE LYS 90 -16.614 2.318 4.723 635 HE3 LYS 90 2HE LYS 90 -16.673 3.525 3.438 636 HZ1 LYS 90 3HZ LYS 90 -14.388 3.971 3.716 637 HZ2 LYS 90 1HZ LYS 90 -14.535 2.282 3.742 638 HZ3 LYS 90 2HZ LYS 90 -14.317 3.133 5.184 Start of MODEL 18 1 H ASN 7 H ASN 7 6.195 -19.313 -4.047 2 HA ASN 7 HA ASN 7 8.906 -19.927 -3.284 3 HB2 ASN 7 1HB ASN 7 7.528 -17.371 -4.115 4 HB3 ASN 7 2HB ASN 7 9.219 -17.429 -3.640 5 HD21 ASN 7 2HD2 ASN 7 9.713 -20.017 -4.823 6 HD22 ASN 7 1HD2 ASN 7 9.738 -19.770 -6.528 7 H GLY 8 H GLY 8 6.120 -19.182 -1.658 8 HA2 GLY 8 1HA GLY 8 5.880 -19.059 0.655 9 HA3 GLY 8 2HA GLY 8 7.597 -18.722 0.794 10 H LEU 9 H LEU 9 7.919 -16.542 -0.762 11 HA LEU 9 HA LEU 9 6.131 -14.569 0.430 12 HB2 LEU 9 1HB LEU 9 8.375 -13.125 0.270 13 HB3 LEU 9 2HB LEU 9 7.922 -14.039 1.690 14 HG LEU 9 HG LEU 9 9.392 -15.917 0.825 15 HD11 LEU 9 1HD1 LEU 9 11.168 -15.304 -0.756 16 HD12 LEU 9 2HD1 LEU 9 10.348 -13.771 -1.058 17 HD13 LEU 9 3HD1 LEU 9 9.568 -15.290 -1.498 18 HD21 LEU 9 3HD2 LEU 9 10.089 -14.474 2.636 19 HD22 LEU 9 1HD2 LEU 9 10.683 -13.278 1.484 20 HD23 LEU 9 2HD2 LEU 9 11.461 -14.857 1.595 21 HA PRO 10 HA PRO 10 5.763 -13.802 -4.055 22 HB2 PRO 10 1HB PRO 10 3.478 -12.219 -3.011 23 HB3 PRO 10 2HB PRO 10 3.507 -13.415 -4.309 24 HG2 PRO 10 1HG PRO 10 2.401 -13.983 -1.946 25 HG3 PRO 10 2HG PRO 10 3.320 -15.202 -2.848 26 HD2 PRO 10 1HD PRO 10 4.149 -13.574 -0.477 27 HD3 PRO 10 2HD PRO 10 4.481 -15.281 -0.847 28 H SER 11 H SER 11 5.913 -11.769 -5.242 29 HA SER 11 HA SER 11 7.694 -9.941 -4.170 30 HB2 SER 11 1HB SER 11 6.799 -8.496 -6.161 31 HB3 SER 11 2HB SER 11 7.668 -9.999 -6.479 32 HG SER 11 HG SER 11 5.910 -10.225 -7.681 33 H GLU 12 H GLU 12 4.218 -9.933 -4.193 34 HA GLU 12 HA GLU 12 3.686 -7.288 -3.462 35 HB2 GLU 12 1HB GLU 12 2.146 -9.761 -2.663 36 HB3 GLU 12 2HB GLU 12 1.523 -8.120 -2.755 37 HG2 GLU 12 1HG GLU 12 1.643 -8.101 -5.110 38 HG3 GLU 12 2HG GLU 12 2.630 -9.561 -5.147 39 H THR 13 H THR 13 4.691 -10.061 -1.571 40 HA THR 13 HA THR 13 4.334 -8.601 0.942 41 HB THR 13 HB THR 13 4.789 -10.712 2.067 42 HG1 THR 13 HG1 THR 13 5.826 -11.390 -0.413 43 HG21 THR 13 3HG2 THR 13 2.500 -10.405 1.269 44 HG22 THR 13 1HG2 THR 13 2.970 -12.104 1.170 45 HG23 THR 13 2HG2 THR 13 2.941 -11.115 -0.288 46 H TYR 14 H TYR 14 6.702 -9.254 -1.372 47 HA TYR 14 HA TYR 14 8.926 -9.282 0.487 48 HB2 TYR 14 1HB TYR 14 9.044 -10.859 -1.315 49 HB3 TYR 14 2HB TYR 14 8.746 -9.601 -2.505 50 HD1 TYR 14 HD1 TYR 14 11.204 -10.646 0.082 51 HD2 TYR 14 HD2 TYR 14 10.526 -8.562 -3.560 52 HE1 TYR 14 HE1 TYR 14 13.617 -10.317 -0.174 53 HE2 TYR 14 HE2 TYR 14 12.935 -8.228 -3.828 54 HH TYR 14 HH TYR 14 15.226 -9.913 -1.991 55 H ILE 15 H ILE 15 7.254 -7.014 -1.511 56 HA ILE 15 HA ILE 15 9.501 -5.247 -1.785 57 HB ILE 15 HB ILE 15 7.844 -5.219 -3.544 58 HG12 ILE 15 1HG1 ILE 15 7.862 -2.692 -1.882 59 HG13 ILE 15 2HG1 ILE 15 8.974 -3.123 -3.174 60 HG21 ILE 15 1HG2 ILE 15 5.888 -5.926 -2.326 61 HG22 ILE 15 2HG2 ILE 15 5.545 -4.401 -3.146 62 HG23 ILE 15 3HG2 ILE 15 5.873 -4.418 -1.412 63 HD11 ILE 15 3HD1 ILE 15 6.046 -2.564 -3.489 64 HD12 ILE 15 1HD1 ILE 15 7.173 -2.941 -4.792 65 HD13 ILE 15 2HD1 ILE 15 7.357 -1.447 -3.867 66 H THR 16 H THR 16 9.963 -3.449 -0.607 67 HA THR 16 HA THR 16 8.598 -3.231 1.933 68 HB THR 16 HB THR 16 10.555 -1.403 2.135 69 HG1 THR 16 HG1 THR 16 11.789 -3.393 0.547 70 HG21 THR 16 3HG2 THR 16 10.894 -4.389 2.449 71 HG22 THR 16 1HG2 THR 16 10.229 -3.277 3.648 72 HG23 THR 16 2HG2 THR 16 11.926 -3.160 3.184 73 H CYS 17 H CYS 17 7.676 -1.370 2.673 74 HA CYS 17 HA CYS 17 6.296 0.170 0.784 75 HB2 CYS 17 1HB CYS 17 5.222 -0.089 2.816 76 HB3 CYS 17 2HB CYS 17 6.671 0.267 3.743 77 H ALA 18 H ALA 18 9.195 0.860 2.688 78 HA ALA 18 HA ALA 18 9.550 3.522 1.851 79 HB1 ALA 18 3HB ALA 18 11.866 3.260 2.590 80 HB2 ALA 18 1HB ALA 18 11.652 1.510 2.664 81 HB3 ALA 18 2HB ALA 18 10.749 2.556 3.761 82 H GLU 19 H GLU 19 10.564 0.427 0.436 83 HA GLU 19 HA GLU 19 12.196 1.425 -1.616 84 HB2 GLU 19 1HB GLU 19 12.023 -0.969 -0.864 85 HB3 GLU 19 2HB GLU 19 10.488 -1.064 -1.710 86 HG2 GLU 19 1HG GLU 19 12.068 -2.008 -3.158 87 HG3 GLU 19 2HG GLU 19 11.745 -0.398 -3.798 88 H ALA 20 H ALA 20 8.755 1.243 -1.265 89 HA ALA 20 HA ALA 20 7.938 1.315 -3.905 90 HB1 ALA 20 3HB ALA 20 5.855 2.306 -3.097 91 HB2 ALA 20 1HB ALA 20 6.626 2.680 -1.556 92 HB3 ALA 20 2HB ALA 20 6.390 1.000 -2.040 93 H ASN 21 H ASN 21 9.180 3.868 -1.846 94 HA ASN 21 HA ASN 21 8.524 6.108 -3.431 95 HB2 ASN 21 1HB ASN 21 10.874 5.633 -1.584 96 HB3 ASN 21 2HB ASN 21 10.499 7.189 -2.307 97 HD21 ASN 21 2HD2 ASN 21 7.662 6.997 -2.056 98 HD22 ASN 21 1HD2 ASN 21 7.295 7.133 -0.374 99 H GLU 22 H GLU 22 11.453 4.184 -3.260 100 HA GLU 22 HA GLU 22 12.940 5.386 -5.258 101 HB2 GLU 22 1HB GLU 22 12.905 2.430 -4.645 102 HB3 GLU 22 2HB GLU 22 14.202 3.317 -5.433 103 HG2 GLU 22 1HG GLU 22 13.294 3.538 -2.580 104 HG3 GLU 22 2HG GLU 22 14.843 2.956 -3.181 105 H MET 23 H MET 23 10.755 2.585 -5.618 106 HA MET 23 HA MET 23 10.917 2.428 -8.400 107 HB2 MET 23 1HB MET 23 9.926 0.634 -7.094 108 HB3 MET 23 2HB MET 23 8.618 1.691 -6.579 109 HG2 MET 23 1HG MET 23 7.899 1.881 -8.944 110 HG3 MET 23 2HG MET 23 9.146 0.716 -9.381 111 HE1 MET 23 3HE MET 23 9.077 -1.398 -7.040 112 HE2 MET 23 1HE MET 23 9.107 -1.808 -8.755 113 HE3 MET 23 2HE MET 23 7.916 -2.555 -7.691 114 H ALA 24 H ALA 24 8.591 4.160 -6.360 115 HA ALA 24 HA ALA 24 6.900 5.169 -8.307 116 HB1 ALA 24 3HB ALA 24 7.724 6.641 -5.812 117 HB2 ALA 24 1HB ALA 24 6.515 5.358 -5.875 118 HB3 ALA 24 2HB ALA 24 6.241 6.874 -6.735 119 H LYS 25 H LYS 25 9.998 6.405 -7.295 120 HA LYS 25 HA LYS 25 10.005 8.880 -8.579 121 HB2 LYS 25 1HB LYS 25 12.307 6.988 -8.086 122 HB3 LYS 25 2HB LYS 25 12.493 8.657 -8.604 123 HG2 LYS 25 1HG LYS 25 11.565 9.468 -6.556 124 HG3 LYS 25 2HG LYS 25 11.120 7.833 -6.056 125 HD2 LYS 25 1HD LYS 25 13.498 7.217 -5.990 126 HD3 LYS 25 2HD LYS 25 13.930 8.856 -6.478 127 HE2 LYS 25 1HE LYS 25 13.010 9.760 -4.446 128 HE3 LYS 25 2HE LYS 25 12.380 8.180 -3.982 129 HZ1 LYS 25 3HZ LYS 25 14.468 8.839 -2.851 130 HZ2 LYS 25 1HZ LYS 25 15.270 8.762 -4.336 131 HZ3 LYS 25 2HZ LYS 25 14.577 7.365 -3.663 132 H THR 26 H THR 26 10.216 5.730 -9.940 133 HA THR 26 HA THR 26 10.872 6.901 -12.563 134 HB THR 26 HB THR 26 11.228 4.009 -11.746 135 HG1 THR 26 HG1 THR 26 12.860 6.255 -11.400 136 HG21 THR 26 3HG2 THR 26 11.005 4.460 -14.167 137 HG22 THR 26 1HG2 THR 26 12.616 3.882 -13.744 138 HG23 THR 26 2HG2 THR 26 12.352 5.595 -14.062 139 H ASP 27 H ASP 27 8.735 4.822 -10.734 140 HA ASP 27 HA ASP 27 6.829 4.764 -12.943 141 HB2 ASP 27 1HB ASP 27 8.067 2.383 -11.624 142 HB3 ASP 27 2HB ASP 27 6.464 2.275 -12.355 143 H SER 28 H SER 28 6.125 6.350 -11.175 144 HA SER 28 HA SER 28 5.056 5.506 -8.740 145 HB2 SER 28 1HB SER 28 5.308 7.894 -9.508 146 HB3 SER 28 2HB SER 28 3.861 7.661 -10.490 147 HG SER 28 HG SER 28 3.571 8.594 -8.324 148 H ALA 29 H ALA 29 3.821 5.126 -11.967 149 HA ALA 29 HA ALA 29 1.139 4.598 -11.403 150 HB1 ALA 29 3HB ALA 29 1.078 3.500 -13.573 151 HB2 ALA 29 1HB ALA 29 2.841 3.453 -13.613 152 HB3 ALA 29 2HB ALA 29 1.999 5.001 -13.658 153 H GLN 30 H GLN 30 3.993 2.552 -11.098 154 HA GLN 30 HA GLN 30 2.440 0.142 -10.911 155 HB2 GLN 30 1HB GLN 30 5.369 0.647 -10.403 156 HB3 GLN 30 2HB GLN 30 4.608 -0.937 -10.343 157 HG2 GLN 30 1HG GLN 30 3.933 -0.659 -12.701 158 HG3 GLN 30 2HG GLN 30 4.807 0.869 -12.738 159 HE21 GLN 30 2HE2 GLN 30 6.209 0.197 -14.306 160 HE22 GLN 30 1HE2 GLN 30 7.463 -0.959 -14.020 161 H VAL 31 H VAL 31 3.819 2.426 -8.641 162 HA VAL 31 HA VAL 31 3.529 0.627 -6.416 163 HB VAL 31 HB VAL 31 4.113 2.482 -4.962 164 HG11 VAL 31 1HG1 VAL 31 5.918 1.328 -6.079 165 HG12 VAL 31 2HG1 VAL 31 6.316 3.033 -5.872 166 HG13 VAL 31 3HG1 VAL 31 5.805 2.432 -7.449 167 HG21 VAL 31 3HG2 VAL 31 3.978 4.232 -7.417 168 HG22 VAL 31 1HG2 VAL 31 4.535 4.734 -5.821 169 HG23 VAL 31 2HG2 VAL 31 2.852 4.265 -6.061 170 H ALA 32 H ALA 32 1.595 3.038 -7.963 171 HA ALA 32 HA ALA 32 -0.373 3.132 -5.870 172 HB1 ALA 32 3HB ALA 32 0.022 5.088 -7.299 173 HB2 ALA 32 1HB ALA 32 -1.646 4.527 -7.430 174 HB3 ALA 32 2HB ALA 32 -0.488 4.161 -8.709 175 H GLU 33 H GLU 33 0.235 1.379 -8.802 176 HA GLU 33 HA GLU 33 -2.364 0.306 -9.153 177 HB2 GLU 33 1HB GLU 33 -0.585 0.417 -10.912 178 HB3 GLU 33 2HB GLU 33 0.264 -0.869 -10.067 179 HG2 GLU 33 1HG GLU 33 -0.942 -1.824 -11.881 180 HG3 GLU 33 2HG GLU 33 -1.727 -2.310 -10.379 181 H ILE 34 H ILE 34 0.638 -1.126 -7.872 182 HA ILE 34 HA ILE 34 -0.453 -3.599 -7.138 183 HB ILE 34 HB ILE 34 1.899 -2.149 -5.894 184 HG12 ILE 34 1HG1 ILE 34 1.802 -4.276 -8.052 185 HG13 ILE 34 2HG1 ILE 34 2.094 -2.564 -8.330 186 HG21 ILE 34 1HG2 ILE 34 2.628 -4.365 -5.120 187 HG22 ILE 34 2HG2 ILE 34 1.131 -5.066 -5.735 188 HG23 ILE 34 3HG2 ILE 34 1.080 -3.903 -4.411 189 HD11 ILE 34 3HD1 ILE 34 3.855 -4.420 -6.744 190 HD12 ILE 34 1HD1 ILE 34 4.154 -2.705 -7.029 191 HD13 ILE 34 2HD1 ILE 34 4.160 -3.838 -8.381 192 H VAL 35 H VAL 35 -0.162 -0.600 -5.296 193 HA VAL 35 HA VAL 35 -1.153 -1.652 -2.865 194 HB VAL 35 HB VAL 35 -0.977 1.203 -3.872 195 HG11 VAL 35 1HG1 VAL 35 -2.754 0.944 -2.145 196 HG12 VAL 35 2HG1 VAL 35 -1.412 1.973 -1.653 197 HG13 VAL 35 3HG1 VAL 35 -1.526 0.326 -1.036 198 HG21 VAL 35 3HG2 VAL 35 0.918 1.344 -2.341 199 HG22 VAL 35 1HG2 VAL 35 1.154 0.075 -3.543 200 HG23 VAL 35 2HG2 VAL 35 0.687 -0.348 -1.895 201 H ALA 36 H ALA 36 -2.717 -0.369 -5.707 202 HA ALA 36 HA ALA 36 -5.278 -0.095 -4.432 203 HB1 ALA 36 3HB ALA 36 -4.573 -0.007 -7.360 204 HB2 ALA 36 1HB ALA 36 -4.634 1.382 -6.276 205 HB3 ALA 36 2HB ALA 36 -6.108 0.482 -6.645 206 H VAL 37 H VAL 37 -3.777 -2.362 -6.713 207 HA VAL 37 HA VAL 37 -5.968 -3.937 -7.301 208 HB VAL 37 HB VAL 37 -3.098 -4.846 -6.974 209 HG11 VAL 37 1HG1 VAL 37 -3.721 -6.766 -8.375 210 HG12 VAL 37 2HG1 VAL 37 -5.405 -6.246 -8.333 211 HG13 VAL 37 3HG1 VAL 37 -4.605 -6.763 -6.849 212 HG21 VAL 37 3HG2 VAL 37 -3.017 -4.649 -9.414 213 HG22 VAL 37 1HG2 VAL 37 -3.407 -3.105 -8.658 214 HG23 VAL 37 2HG2 VAL 37 -4.679 -4.059 -9.422 215 H MET 38 H MET 38 -3.525 -5.020 -4.838 216 HA MET 38 HA MET 38 -5.499 -6.686 -3.699 217 HB2 MET 38 1HB MET 38 -3.771 -7.303 -2.073 218 HB3 MET 38 2HB MET 38 -3.199 -7.409 -3.727 219 HG2 MET 38 1HG MET 38 -2.097 -5.187 -3.390 220 HG3 MET 38 2HG MET 38 -2.535 -5.307 -1.685 221 HE1 MET 38 3HE MET 38 0.389 -4.841 -2.519 222 HE2 MET 38 1HE MET 38 1.332 -6.076 -1.683 223 HE3 MET 38 2HE MET 38 0.064 -5.213 -0.824 224 H GLY 39 H GLY 39 -4.583 -3.437 -3.161 225 HA2 GLY 39 1HA GLY 39 -5.383 -3.199 -0.456 226 HA3 GLY 39 2HA GLY 39 -5.311 -1.887 -1.629 227 H ASN 40 H ASN 40 -7.115 -2.405 -3.441 228 HA ASN 40 HA ASN 40 -9.580 -1.884 -2.180 229 HB2 ASN 40 1HB ASN 40 -10.318 -1.363 -4.270 230 HB3 ASN 40 2HB ASN 40 -8.624 -1.571 -4.712 231 HD21 ASN 40 2HD2 ASN 40 -8.000 -3.360 -5.851 232 HD22 ASN 40 1HD2 ASN 40 -9.126 -4.414 -6.634 233 H ALA 41 H ALA 41 -8.159 -4.820 -3.443 234 HA ALA 41 HA ALA 41 -10.441 -6.458 -3.231 235 HB1 ALA 41 3HB ALA 41 -8.920 -8.332 -3.462 236 HB2 ALA 41 1HB ALA 41 -7.545 -7.286 -3.108 237 HB3 ALA 41 2HB ALA 41 -8.479 -7.044 -4.584 238 H SER 42 H SER 42 -8.001 -5.500 -0.857 239 HA SER 42 HA SER 42 -8.891 -7.495 1.007 240 HB2 SER 42 1HB SER 42 -7.227 -6.365 2.541 241 HB3 SER 42 2HB SER 42 -6.553 -7.020 1.051 242 HG SER 42 HG SER 42 -6.280 -5.036 0.265 243 H VAL 43 H VAL 43 -9.237 -3.963 0.615 244 HA VAL 43 HA VAL 43 -10.630 -3.604 3.021 245 HB VAL 43 HB VAL 43 -11.531 -1.486 1.981 246 HG11 VAL 43 1HG1 VAL 43 -8.562 -1.932 1.819 247 HG12 VAL 43 2HG1 VAL 43 -9.476 -1.490 3.262 248 HG13 VAL 43 3HG1 VAL 43 -9.366 -0.365 1.908 249 HG21 VAL 43 3HG2 VAL 43 -9.847 -2.385 -0.341 250 HG22 VAL 43 1HG2 VAL 43 -10.543 -0.776 -0.158 251 HG23 VAL 43 2HG2 VAL 43 -11.596 -2.182 -0.336 252 H ALA 44 H ALA 44 -11.967 -4.180 -0.335 253 HA ALA 44 HA ALA 44 -14.615 -3.817 0.496 254 HB1 ALA 44 3HB ALA 44 -15.158 -4.582 -1.724 255 HB2 ALA 44 1HB ALA 44 -13.533 -5.237 -1.929 256 HB3 ALA 44 2HB ALA 44 -13.769 -3.497 -1.793 257 H SER 45 H SER 45 -12.530 -6.387 1.043 258 HA SER 45 HA SER 45 -14.580 -8.424 0.853 259 HB2 SER 45 1HB SER 45 -12.657 -9.882 1.820 260 HB3 SER 45 2HB SER 45 -12.545 -9.299 0.161 261 HG SER 45 HG SER 45 -10.865 -8.184 0.689 262 H ARG 46 H ARG 46 -13.210 -6.389 3.307 263 HA ARG 46 HA ARG 46 -14.680 -7.962 5.337 264 HB2 ARG 46 1HB ARG 46 -12.210 -6.271 5.679 265 HB3 ARG 46 2HB ARG 46 -13.101 -7.010 6.999 266 HG2 ARG 46 1HG ARG 46 -12.540 -9.197 6.253 267 HG3 ARG 46 2HG ARG 46 -11.861 -8.568 4.750 268 HD2 ARG 46 1HD ARG 46 -10.114 -7.430 5.993 269 HD3 ARG 46 2HD ARG 46 -10.808 -7.989 7.514 270 HE ARG 46 HE ARG 46 -9.964 -10.105 7.115 271 HH11 ARG 46 1HH1 ARG 46 -9.429 -8.075 4.296 272 HH12 ARG 46 2HH1 ARG 46 -8.227 -9.117 3.618 273 HH21 ARG 46 1HH2 ARG 46 -8.382 -11.490 6.206 274 HH22 ARG 46 2HH2 ARG 46 -7.639 -11.074 4.701 275 H ASP 47 H ASP 47 -14.172 -4.847 3.932 276 HA ASP 47 HA ASP 47 -15.637 -3.469 6.008 277 HB2 ASP 47 1HB ASP 47 -13.664 -2.478 4.842 278 HB3 ASP 47 2HB ASP 47 -14.614 -2.434 3.364 279 H LEU 48 H LEU 48 -16.009 -4.053 2.529 280 HA LEU 48 HA LEU 48 -17.788 -4.359 1.176 281 HB2 LEU 48 1HB LEU 48 -18.485 -5.927 3.010 282 HB3 LEU 48 2HB LEU 48 -19.463 -4.634 3.672 283 HG LEU 48 HG LEU 48 -20.795 -4.606 1.582 284 HD11 LEU 48 1HD1 LEU 48 -19.126 -5.454 0.043 285 HD12 LEU 48 2HD1 LEU 48 -20.566 -6.468 0.010 286 HD13 LEU 48 3HD1 LEU 48 -19.125 -7.010 0.871 287 HD21 LEU 48 3HD2 LEU 48 -21.973 -6.717 1.991 288 HD22 LEU 48 1HD2 LEU 48 -21.559 -5.898 3.495 289 HD23 LEU 48 2HD2 LEU 48 -20.613 -7.284 2.958 290 H LYS 49 H LYS 49 -17.352 -1.702 2.938 291 HA LYS 49 HA LYS 49 -19.544 -0.280 1.593 292 HB2 LYS 49 1HB LYS 49 -19.606 1.246 3.618 293 HB3 LYS 49 2HB LYS 49 -20.267 -0.366 3.858 294 HG2 LYS 49 1HG LYS 49 -18.140 -1.049 4.896 295 HG3 LYS 49 2HG LYS 49 -17.552 0.603 4.721 296 HD2 LYS 49 1HD LYS 49 -19.246 1.425 6.194 297 HD3 LYS 49 2HD LYS 49 -20.043 -0.150 6.230 298 HE2 LYS 49 1HE LYS 49 -18.780 0.146 8.263 299 HE3 LYS 49 2HE LYS 49 -18.028 -1.110 7.283 300 HZ1 LYS 49 3HZ LYS 49 -16.488 0.556 8.333 301 HZ2 LYS 49 1HZ LYS 49 -17.088 1.697 7.233 302 HZ3 LYS 49 2HZ LYS 49 -16.289 0.301 6.676 303 H ILE 50 H ILE 50 -16.628 -0.821 1.227 304 HA ILE 50 HA ILE 50 -15.319 1.701 1.618 305 HB ILE 50 HB ILE 50 -14.179 -0.583 1.744 306 HG12 ILE 50 1HG1 ILE 50 -12.112 0.204 0.554 307 HG13 ILE 50 2HG1 ILE 50 -13.057 1.534 -0.104 308 HG21 ILE 50 1HG2 ILE 50 -13.446 -1.598 -0.341 309 HG22 ILE 50 2HG2 ILE 50 -14.380 -0.415 -1.254 310 HG23 ILE 50 3HG2 ILE 50 -15.203 -1.579 -0.215 311 HD11 ILE 50 3HD1 ILE 50 -13.460 2.369 2.144 312 HD12 ILE 50 1HD1 ILE 50 -11.734 2.218 1.820 313 HD13 ILE 50 2HD1 ILE 50 -12.552 1.014 2.817 314 H GLU 51 H GLU 51 -14.452 2.973 -0.118 315 HA GLU 51 HA GLU 51 -16.176 2.970 -2.481 316 HB2 GLU 51 1HB GLU 51 -14.283 5.076 -1.413 317 HB3 GLU 51 2HB GLU 51 -15.254 5.247 -2.867 318 HG2 GLU 51 1HG GLU 51 -16.310 4.912 -0.067 319 HG3 GLU 51 2HG GLU 51 -16.250 6.418 -0.982 320 H GLN 52 H GLN 52 -15.399 2.336 -4.403 321 HA GLN 52 HA GLN 52 -12.673 1.416 -4.521 322 HB2 GLN 52 1HB GLN 52 -14.887 1.345 -6.576 323 HB3 GLN 52 2HB GLN 52 -13.293 0.642 -6.812 324 HG2 GLN 52 1HG GLN 52 -13.676 -0.852 -4.911 325 HG3 GLN 52 2HG GLN 52 -15.280 -0.157 -4.697 326 HE21 GLN 52 2HE2 GLN 52 -16.272 -2.134 -5.017 327 HE22 GLN 52 1HE2 GLN 52 -16.389 -2.869 -6.573 328 H SER 53 H SER 53 -11.530 3.308 -4.350 329 HA SER 53 HA SER 53 -11.327 4.802 -6.836 330 HB2 SER 53 1HB SER 53 -12.767 6.210 -5.494 331 HB3 SER 53 2HB SER 53 -11.686 6.066 -4.111 332 HG SER 53 HG SER 53 -11.606 7.828 -6.123 333 HA PRO 54 HA PRO 54 -7.046 4.050 -6.026 334 HB2 PRO 54 1HB PRO 54 -5.999 5.912 -7.722 335 HB3 PRO 54 2HB PRO 54 -6.660 4.367 -8.267 336 HG2 PRO 54 1HG PRO 54 -7.941 7.070 -8.238 337 HG3 PRO 54 2HG PRO 54 -7.975 5.832 -9.507 338 HD2 PRO 54 1HD PRO 54 -10.033 6.203 -7.815 339 HD3 PRO 54 2HD PRO 54 -9.597 4.594 -8.426 340 H GLU 55 H GLU 55 -8.663 7.048 -5.496 341 HA GLU 55 HA GLU 55 -6.468 8.515 -4.453 342 HB2 GLU 55 1HB GLU 55 -8.624 9.527 -5.216 343 HB3 GLU 55 2HB GLU 55 -9.393 8.860 -3.782 344 HG2 GLU 55 1HG GLU 55 -8.016 10.206 -2.351 345 HG3 GLU 55 2HG GLU 55 -7.082 10.785 -3.728 346 H LEU 56 H LEU 56 -8.859 6.344 -3.035 347 HA LEU 56 HA LEU 56 -8.006 6.712 -0.345 348 HB2 LEU 56 1HB LEU 56 -9.619 4.595 -1.745 349 HB3 LEU 56 2HB LEU 56 -9.096 4.351 -0.090 350 HG LEU 56 HG LEU 56 -10.311 6.441 0.545 351 HD11 LEU 56 1HD1 LEU 56 -11.943 7.387 -0.971 352 HD12 LEU 56 2HD1 LEU 56 -11.437 6.274 -2.238 353 HD13 LEU 56 3HD1 LEU 56 -10.324 7.513 -1.661 354 HD21 LEU 56 3HD2 LEU 56 -11.317 4.262 0.891 355 HD22 LEU 56 1HD2 LEU 56 -11.958 4.276 -0.753 356 HD23 LEU 56 2HD2 LEU 56 -12.543 5.442 0.433 357 H SER 57 H SER 57 -6.999 4.782 -2.988 358 HA SER 57 HA SER 57 -5.307 2.975 -1.572 359 HB2 SER 57 1HB SER 57 -6.048 2.487 -3.868 360 HB3 SER 57 2HB SER 57 -5.175 3.899 -4.459 361 HG SER 57 HG SER 57 -3.558 2.290 -3.013 362 H ALA 58 H ALA 58 -4.663 5.893 -3.466 363 HA ALA 58 HA ALA 58 -2.043 6.375 -2.936 364 HB1 ALA 58 3HB ALA 58 -2.496 8.754 -3.200 365 HB2 ALA 58 1HB ALA 58 -4.216 8.463 -2.936 366 HB3 ALA 58 2HB ALA 58 -3.418 7.799 -4.362 367 H LYS 59 H LYS 59 -4.720 6.920 -0.716 368 HA LYS 59 HA LYS 59 -3.164 8.298 1.250 369 HB2 LYS 59 1HB LYS 59 -5.628 8.487 1.145 370 HB3 LYS 59 2HB LYS 59 -5.768 6.791 1.584 371 HG2 LYS 59 1HG LYS 59 -4.813 7.224 3.754 372 HG3 LYS 59 2HG LYS 59 -4.504 8.905 3.317 373 HD2 LYS 59 1HD LYS 59 -6.491 8.777 4.688 374 HD3 LYS 59 2HD LYS 59 -6.938 9.246 3.049 375 HE2 LYS 59 1HE LYS 59 -7.585 6.922 2.575 376 HE3 LYS 59 2HE LYS 59 -7.152 6.473 4.224 377 HZ1 LYS 59 3HZ LYS 59 -8.853 7.979 5.039 378 HZ2 LYS 59 1HZ LYS 59 -9.528 6.835 3.993 379 HZ3 LYS 59 2HZ LYS 59 -9.263 8.416 3.456 380 H VAL 60 H VAL 60 -4.243 4.980 0.851 381 HA VAL 60 HA VAL 60 -3.178 3.795 3.138 382 HB VAL 60 HB VAL 60 -3.502 2.587 0.374 383 HG11 VAL 60 1HG1 VAL 60 -3.447 0.401 1.493 384 HG12 VAL 60 2HG1 VAL 60 -3.024 1.201 3.009 385 HG13 VAL 60 3HG1 VAL 60 -1.913 1.261 1.641 386 HG21 VAL 60 3HG2 VAL 60 -5.239 2.433 2.828 387 HG22 VAL 60 1HG2 VAL 60 -5.534 1.608 1.300 388 HG23 VAL 60 2HG2 VAL 60 -5.584 3.374 1.374 389 H VAL 61 H VAL 61 -1.519 4.878 0.303 390 HA VAL 61 HA VAL 61 0.879 3.421 1.159 391 HB VAL 61 HB VAL 61 0.297 2.990 -1.168 392 HG11 VAL 61 1HG1 VAL 61 0.432 4.730 -2.880 393 HG12 VAL 61 2HG1 VAL 61 0.659 5.944 -1.620 394 HG13 VAL 61 3HG1 VAL 61 -0.855 5.046 -1.718 395 HG21 VAL 61 3HG2 VAL 61 2.455 3.539 -2.217 396 HG22 VAL 61 1HG2 VAL 61 2.646 2.920 -0.576 397 HG23 VAL 61 2HG2 VAL 61 2.801 4.648 -0.890 398 H GLU 62 H GLU 62 -0.261 6.665 0.373 399 HA GLU 62 HA GLU 62 2.236 7.945 0.618 400 HB2 GLU 62 1HB GLU 62 0.271 8.927 -0.507 401 HB3 GLU 62 2HB GLU 62 -0.496 9.136 1.060 402 HG2 GLU 62 1HG GLU 62 1.190 10.698 1.736 403 HG3 GLU 62 2HG GLU 62 2.107 10.403 0.259 404 H LYS 63 H LYS 63 -0.467 7.907 2.976 405 HA LYS 63 HA LYS 63 0.969 9.210 5.014 406 HB2 LYS 63 1HB LYS 63 -1.398 7.343 5.152 407 HB3 LYS 63 2HB LYS 63 -0.732 8.150 6.562 408 HG2 LYS 63 1HG LYS 63 -1.206 10.327 5.512 409 HG3 LYS 63 2HG LYS 63 -1.926 9.483 4.139 410 HD2 LYS 63 1HD LYS 63 -3.655 10.237 5.697 411 HD3 LYS 63 2HD LYS 63 -3.596 8.476 5.630 412 HE2 LYS 63 1HE LYS 63 -2.274 8.454 7.706 413 HE3 LYS 63 2HE LYS 63 -2.356 10.214 7.769 414 HZ1 LYS 63 3HZ LYS 63 -4.702 8.399 7.858 415 HZ2 LYS 63 1HZ LYS 63 -4.736 10.077 8.034 416 HZ3 LYS 63 2HZ LYS 63 -3.994 9.118 9.209 417 H LEU 64 H LEU 64 0.163 5.841 4.727 418 HA LEU 64 HA LEU 64 1.600 4.728 6.773 419 HB2 LEU 64 1HB LEU 64 0.177 3.678 4.773 420 HB3 LEU 64 2HB LEU 64 1.780 3.272 4.196 421 HG LEU 64 HG LEU 64 0.799 1.412 5.390 422 HD11 LEU 64 1HD1 LEU 64 2.569 0.992 7.047 423 HD12 LEU 64 2HD1 LEU 64 3.050 2.686 6.946 424 HD13 LEU 64 3HD1 LEU 64 3.209 1.638 5.536 425 HD21 LEU 64 3HD2 LEU 64 0.299 1.528 7.773 426 HD22 LEU 64 1HD2 LEU 64 -0.700 2.650 6.853 427 HD23 LEU 64 2HD2 LEU 64 0.676 3.249 7.780 428 H ASN 65 H ASN 65 2.912 5.545 3.556 429 HA ASN 65 HA ASN 65 5.464 4.517 3.922 430 HB2 ASN 65 1HB ASN 65 4.776 5.105 1.741 431 HB3 ASN 65 2HB ASN 65 4.522 6.797 2.182 432 HD21 ASN 65 2HD2 ASN 65 6.826 4.310 1.434 433 HD22 ASN 65 1HD2 ASN 65 8.172 5.369 1.168 434 H GLN 66 H GLN 66 4.117 7.215 5.488 435 HA GLN 66 HA GLN 66 6.544 8.665 5.933 436 HB2 GLN 66 1HB GLN 66 3.837 8.712 7.157 437 HB3 GLN 66 2HB GLN 66 5.160 9.332 8.137 438 HG2 GLN 66 1HG GLN 66 4.211 11.171 7.003 439 HG3 GLN 66 2HG GLN 66 5.760 10.820 6.238 440 HE21 GLN 66 2HE2 GLN 66 5.794 9.966 4.164 441 HE22 GLN 66 1HE2 GLN 66 4.406 9.985 3.133 442 H VAL 67 H VAL 67 4.864 6.098 7.607 443 HA VAL 67 HA VAL 67 6.657 5.817 9.763 444 HB VAL 67 HB VAL 67 5.043 3.631 8.413 445 HG11 VAL 67 1HG1 VAL 67 6.204 3.799 11.192 446 HG12 VAL 67 2HG1 VAL 67 6.750 2.741 9.893 447 HG13 VAL 67 3HG1 VAL 67 5.151 2.513 10.602 448 HG21 VAL 67 3HG2 VAL 67 3.605 5.484 9.068 449 HG22 VAL 67 1HG2 VAL 67 4.279 5.451 10.697 450 HG23 VAL 67 2HG2 VAL 67 3.328 4.088 10.110 451 H CYS 68 H CYS 68 6.437 4.010 6.662 452 HA CYS 68 HA CYS 68 8.716 2.531 6.750 453 HB2 CYS 68 1HB CYS 68 7.893 3.904 4.235 454 HB3 CYS 68 2HB CYS 68 8.349 2.221 4.498 455 H ALA 69 H ALA 69 8.404 5.943 5.957 456 HA ALA 69 HA ALA 69 11.040 6.320 4.974 457 HB1 ALA 69 3HB ALA 69 10.620 8.710 5.292 458 HB2 ALA 69 1HB ALA 69 9.180 8.335 6.240 459 HB3 ALA 69 2HB ALA 69 9.242 7.920 4.526 460 H LYS 70 H LYS 70 9.697 6.053 8.128 461 HA LYS 70 HA LYS 70 12.122 7.092 9.405 462 HB2 LYS 70 1HB LYS 70 9.597 6.066 10.700 463 HB3 LYS 70 2HB LYS 70 10.895 6.959 11.477 464 HG2 LYS 70 1HG LYS 70 10.348 8.931 10.197 465 HG3 LYS 70 2HG LYS 70 9.103 8.037 9.319 466 HD2 LYS 70 1HD LYS 70 8.007 7.590 11.532 467 HD3 LYS 70 2HD LYS 70 9.162 8.717 12.248 468 HE2 LYS 70 1HE LYS 70 8.360 10.469 10.734 469 HE3 LYS 70 2HE LYS 70 7.188 9.334 10.066 470 HZ1 LYS 70 3HZ LYS 70 6.135 10.720 11.709 471 HZ2 LYS 70 1HZ LYS 70 7.290 10.305 12.874 472 HZ3 LYS 70 2HZ LYS 70 6.211 9.140 12.295 473 H ASP 71 H ASP 71 10.896 4.150 8.254 474 HA ASP 71 HA ASP 71 12.917 2.616 9.487 475 HB2 ASP 71 1HB ASP 71 11.370 2.623 11.387 476 HB3 ASP 71 2HB ASP 71 10.055 2.093 10.344 477 HA PRO 72 HA PRO 72 11.820 1.082 5.434 478 HB2 PRO 72 1HB PRO 72 14.079 -0.278 4.956 479 HB3 PRO 72 2HB PRO 72 14.025 1.490 4.939 480 HG2 PRO 72 1HG PRO 72 14.960 -0.350 7.110 481 HG3 PRO 72 2HG PRO 72 15.710 1.140 6.509 482 HD2 PRO 72 1HD PRO 72 14.190 1.031 8.770 483 HD3 PRO 72 2HD PRO 72 14.331 2.486 7.760 484 H GLN 73 H GLN 73 11.873 -0.740 8.266 485 HA GLN 73 HA GLN 73 11.900 -3.351 7.057 486 HB2 GLN 73 1HB GLN 73 10.869 -2.668 9.792 487 HB3 GLN 73 2HB GLN 73 11.515 -4.201 9.226 488 HG2 GLN 73 1HG GLN 73 13.718 -3.207 9.023 489 HG3 GLN 73 2HG GLN 73 13.071 -1.660 9.573 490 HE21 GLN 73 2HE2 GLN 73 14.143 -1.452 11.386 491 HE22 GLN 73 1HE2 GLN 73 14.053 -2.525 12.747 492 H MET 74 H MET 74 9.646 -0.951 7.157 493 HA MET 74 HA MET 74 7.293 -2.566 7.496 494 HB2 MET 74 1HB MET 74 7.236 -0.194 8.061 495 HB3 MET 74 2HB MET 74 7.629 0.232 6.403 496 HG2 MET 74 1HG MET 74 5.266 0.566 6.873 497 HG3 MET 74 2HG MET 74 5.507 -0.670 5.643 498 HE1 MET 74 3HE MET 74 5.972 -1.035 9.562 499 HE2 MET 74 1HE MET 74 4.356 -1.564 10.027 500 HE3 MET 74 2HE MET 74 4.600 0.059 9.382 501 H LEU 75 H LEU 75 6.672 -4.018 6.046 502 HA LEU 75 HA LEU 75 7.441 -3.895 3.261 503 HB2 LEU 75 1HB LEU 75 5.580 -5.762 4.751 504 HB3 LEU 75 2HB LEU 75 5.949 -5.912 3.049 505 HG LEU 75 HG LEU 75 7.242 -7.536 4.165 506 HD11 LEU 75 1HD1 LEU 75 8.442 -6.374 2.418 507 HD12 LEU 75 2HD1 LEU 75 9.535 -6.901 3.698 508 HD13 LEU 75 3HD1 LEU 75 9.053 -5.208 3.593 509 HD21 LEU 75 3HD2 LEU 75 7.081 -6.678 6.435 510 HD22 LEU 75 1HD2 LEU 75 8.204 -5.378 6.038 511 HD23 LEU 75 2HD2 LEU 75 8.754 -7.054 6.026 512 H LEU 76 H LEU 76 5.909 -3.910 1.489 513 HA LEU 76 HA LEU 76 4.013 -1.804 1.780 514 HB2 LEU 76 1HB LEU 76 5.285 -2.325 -0.317 515 HB3 LEU 76 2HB LEU 76 4.262 -3.738 -0.516 516 HG LEU 76 HG LEU 76 2.284 -2.245 -0.649 517 HD11 LEU 76 1HD1 LEU 76 4.358 -0.056 -0.653 518 HD12 LEU 76 2HD1 LEU 76 3.138 -0.343 0.589 519 HD13 LEU 76 3HD1 LEU 76 2.649 0.153 -1.029 520 HD21 LEU 76 3HD2 LEU 76 3.414 -3.065 -2.669 521 HD22 LEU 76 1HD2 LEU 76 4.453 -1.641 -2.653 522 HD23 LEU 76 2HD2 LEU 76 2.717 -1.462 -2.907 523 H ILE 77 H ILE 77 3.816 -5.298 1.737 524 HA ILE 77 HA ILE 77 1.027 -5.503 1.478 525 HB ILE 77 HB ILE 77 2.535 -7.432 1.163 526 HG12 ILE 77 1HG1 ILE 77 1.192 -9.118 2.485 527 HG13 ILE 77 2HG1 ILE 77 0.393 -7.756 3.262 528 HG21 ILE 77 1HG2 ILE 77 3.452 -8.652 3.076 529 HG22 ILE 77 2HG2 ILE 77 2.899 -7.368 4.150 530 HG23 ILE 77 3HG2 ILE 77 4.130 -7.029 2.935 531 HD11 ILE 77 3HD1 ILE 77 -0.442 -7.001 1.105 532 HD12 ILE 77 1HD1 ILE 77 -0.929 -8.665 1.428 533 HD13 ILE 77 2HD1 ILE 77 0.394 -8.334 0.308 534 H THR 78 H THR 78 3.128 -5.242 4.339 535 HA THR 78 HA THR 78 1.110 -5.373 6.280 536 HB THR 78 HB THR 78 3.662 -3.780 6.534 537 HG1 THR 78 HG1 THR 78 3.539 -6.527 7.147 538 HG21 THR 78 3HG2 THR 78 2.056 -5.430 8.498 539 HG22 THR 78 1HG2 THR 78 2.106 -3.670 8.424 540 HG23 THR 78 2HG2 THR 78 3.554 -4.575 8.865 541 H ALA 79 H ALA 79 2.668 -2.679 4.613 542 HA ALA 79 HA ALA 79 1.528 -0.485 5.767 543 HB1 ALA 79 3HB ALA 79 3.200 -0.374 3.982 544 HB2 ALA 79 1HB ALA 79 1.822 0.668 3.629 545 HB3 ALA 79 2HB ALA 79 1.987 -0.884 2.809 546 H ILE 80 H ILE 80 0.140 -2.329 3.070 547 HA ILE 80 HA ILE 80 -2.278 -0.876 3.006 548 HB ILE 80 HB ILE 80 -1.750 -3.674 1.990 549 HG12 ILE 80 1HG1 ILE 80 -1.474 -0.999 0.607 550 HG13 ILE 80 2HG1 ILE 80 -0.151 -2.059 1.079 551 HG21 ILE 80 1HG2 ILE 80 -4.130 -3.141 2.141 552 HG22 ILE 80 2HG2 ILE 80 -3.604 -3.227 0.459 553 HG23 ILE 80 3HG2 ILE 80 -3.864 -1.659 1.218 554 HD11 ILE 80 3HD1 ILE 80 -2.214 -2.507 -1.048 555 HD12 ILE 80 1HD1 ILE 80 -1.164 -3.786 -0.439 556 HD13 ILE 80 2HD1 ILE 80 -0.460 -2.374 -1.214 557 H ASP 81 H ASP 81 -1.437 -4.070 4.323 558 HA ASP 81 HA ASP 81 -3.914 -4.887 5.245 559 HB2 ASP 81 1HB ASP 81 -2.083 -6.417 5.221 560 HB3 ASP 81 2HB ASP 81 -1.167 -5.428 6.354 561 H ASP 82 H ASP 82 -1.557 -2.943 6.970 562 HA ASP 82 HA ASP 82 -2.989 -2.853 9.427 563 HB2 ASP 82 1HB ASP 82 -0.576 -2.380 9.292 564 HB3 ASP 82 2HB ASP 82 -0.914 -0.921 8.366 565 H THR 83 H THR 83 -3.104 -0.988 6.538 566 HA THR 83 HA THR 83 -4.664 1.137 7.717 567 HB THR 83 HB THR 83 -3.962 0.708 4.810 568 HG1 THR 83 HG1 THR 83 -2.009 1.135 5.583 569 HG21 THR 83 3HG2 THR 83 -5.816 2.260 5.141 570 HG22 THR 83 1HG2 THR 83 -4.370 3.143 4.656 571 HG23 THR 83 2HG2 THR 83 -4.880 3.148 6.342 572 H MET 84 H MET 84 -5.178 -1.470 5.319 573 HA MET 84 HA MET 84 -7.881 -0.839 4.863 574 HB2 MET 84 1HB MET 84 -8.095 -3.215 4.008 575 HB3 MET 84 2HB MET 84 -6.882 -2.225 3.230 576 HG2 MET 84 1HG MET 84 -6.010 -4.418 3.487 577 HG3 MET 84 2HG MET 84 -5.152 -3.359 4.596 578 HE1 MET 84 3HE MET 84 -8.458 -6.233 6.008 579 HE2 MET 84 1HE MET 84 -8.054 -5.991 4.308 580 HE3 MET 84 2HE MET 84 -8.780 -4.678 5.239 581 H ARG 85 H ARG 85 -6.315 -2.714 7.329 582 HA ARG 85 HA ARG 85 -8.600 -3.848 8.486 583 HB2 ARG 85 1HB ARG 85 -6.402 -4.648 8.996 584 HB3 ARG 85 2HB ARG 85 -5.899 -3.067 9.557 585 HG2 ARG 85 1HG ARG 85 -7.432 -3.270 11.454 586 HG3 ARG 85 2HG ARG 85 -7.886 -4.884 10.890 587 HD2 ARG 85 1HD ARG 85 -5.615 -5.638 11.108 588 HD3 ARG 85 2HD ARG 85 -5.081 -4.020 11.560 589 HE ARG 85 HE ARG 85 -6.612 -4.350 13.551 590 HH11 ARG 85 1HH1 ARG 85 -5.027 -7.042 11.937 591 HH12 ARG 85 2HH1 ARG 85 -5.019 -8.042 13.344 592 HH21 ARG 85 1HH2 ARG 85 -6.579 -5.686 15.423 593 HH22 ARG 85 2HH2 ARG 85 -5.887 -7.276 15.324 594 H ALA 86 H ALA 86 -6.887 -0.810 9.022 595 HA ALA 86 HA ALA 86 -8.377 0.068 11.233 596 HB1 ALA 86 3HB ALA 86 -6.196 0.980 10.633 597 HB2 ALA 86 1HB ALA 86 -7.408 2.249 10.808 598 HB3 ALA 86 2HB ALA 86 -6.901 1.727 9.201 599 H ILE 87 H ILE 87 -8.754 0.816 7.739 600 HA ILE 87 HA ILE 87 -11.129 2.374 8.343 601 HB ILE 87 HB ILE 87 -11.204 2.839 5.923 602 HG12 ILE 87 1HG1 ILE 87 -8.698 1.140 5.789 603 HG13 ILE 87 2HG1 ILE 87 -10.269 0.693 5.132 604 HG21 ILE 87 1HG2 ILE 87 -9.926 4.303 7.374 605 HG22 ILE 87 2HG2 ILE 87 -9.139 4.162 5.803 606 HG23 ILE 87 3HG2 ILE 87 -8.503 3.277 7.191 607 HD11 ILE 87 3HD1 ILE 87 -8.769 1.478 3.392 608 HD12 ILE 87 1HD1 ILE 87 -8.574 3.015 4.235 609 HD13 ILE 87 2HD1 ILE 87 -10.145 2.567 3.571 610 H GLY 88 H GLY 88 -10.485 -0.818 7.925 611 HA2 GLY 88 1HA GLY 88 -12.921 -1.435 6.432 612 HA3 GLY 88 2HA GLY 88 -11.682 -2.586 6.908 613 H LYS 89 H LYS 89 -12.735 -0.383 9.269 614 HA LYS 89 HA LYS 89 -14.066 -2.564 10.670 615 HB2 LYS 89 1HB LYS 89 -13.163 0.141 11.680 616 HB3 LYS 89 2HB LYS 89 -13.906 -1.110 12.667 617 HG2 LYS 89 1HG LYS 89 -11.989 -2.601 12.083 618 HG3 LYS 89 2HG LYS 89 -11.231 -1.222 11.291 619 HD2 LYS 89 1HD LYS 89 -12.027 -1.353 14.200 620 HD3 LYS 89 2HD LYS 89 -10.389 -1.560 13.579 621 HE2 LYS 89 1HE LYS 89 -10.430 0.717 12.700 622 HE3 LYS 89 2HE LYS 89 -12.081 0.921 13.285 623 HZ1 LYS 89 3HZ LYS 89 -10.598 1.914 14.843 624 HZ2 LYS 89 1HZ LYS 89 -9.646 0.518 14.934 625 HZ3 LYS 89 2HZ LYS 89 -11.220 0.514 15.549 626 H LYS 90 H LYS 90 -16.162 -2.566 11.081 627 HA LYS 90 HA LYS 90 -17.813 -0.590 9.799 628 HB2 LYS 90 1HB LYS 90 -18.353 -3.015 9.731 629 HB3 LYS 90 2HB LYS 90 -18.619 -2.979 11.467 630 HG2 LYS 90 1HG LYS 90 -20.462 -1.402 11.149 631 HG3 LYS 90 2HG LYS 90 -20.192 -1.447 9.406 632 HD2 LYS 90 1HD LYS 90 -20.656 -3.861 9.413 633 HD3 LYS 90 2HD LYS 90 -20.966 -3.783 11.148 634 HE2 LYS 90 1HE LYS 90 -23.055 -3.751 9.917 635 HE3 LYS 90 2HE LYS 90 -22.804 -2.214 10.738 636 HZ1 LYS 90 3HZ LYS 90 -22.008 -1.291 8.633 637 HZ2 LYS 90 1HZ LYS 90 -23.594 -1.851 8.508 638 HZ3 LYS 90 2HZ LYS 90 -22.328 -2.758 7.860 Start of MODEL 19 1 H ASN 7 H ASN 7 9.812 -21.752 -4.474 2 HA ASN 7 HA ASN 7 7.408 -23.252 -5.060 3 HB2 ASN 7 1HB ASN 7 7.162 -23.551 -2.641 4 HB3 ASN 7 2HB ASN 7 8.778 -23.988 -3.170 5 HD21 ASN 7 2HD2 ASN 7 9.637 -23.751 -1.140 6 HD22 ASN 7 1HD2 ASN 7 9.871 -22.210 -0.391 7 H GLY 8 H GLY 8 8.048 -20.068 -5.100 8 HA2 GLY 8 1HA GLY 8 6.117 -18.676 -5.669 9 HA3 GLY 8 2HA GLY 8 5.261 -19.459 -4.350 10 H LEU 9 H LEU 9 7.995 -17.352 -5.070 11 HA LEU 9 HA LEU 9 7.348 -15.830 -2.666 12 HB2 LEU 9 1HB LEU 9 9.392 -17.502 -2.454 13 HB3 LEU 9 2HB LEU 9 10.233 -16.272 -3.368 14 HG LEU 9 HG LEU 9 8.923 -15.852 -0.673 15 HD11 LEU 9 1HD1 LEU 9 11.192 -15.713 0.188 16 HD12 LEU 9 2HD1 LEU 9 11.832 -16.072 -1.415 17 HD13 LEU 9 3HD1 LEU 9 10.891 -17.285 -0.551 18 HD21 LEU 9 3HD2 LEU 9 8.939 -13.805 -2.017 19 HD22 LEU 9 1HD2 LEU 9 10.667 -14.005 -2.308 20 HD23 LEU 9 2HD2 LEU 9 10.077 -13.693 -0.675 21 HA PRO 10 HA PRO 10 7.802 -13.278 -6.469 22 HB2 PRO 10 1HB PRO 10 5.438 -11.873 -5.519 23 HB3 PRO 10 2HB PRO 10 5.644 -12.806 -7.002 24 HG2 PRO 10 1HG PRO 10 4.056 -13.618 -4.950 25 HG3 PRO 10 2HG PRO 10 4.875 -14.743 -6.046 26 HD2 PRO 10 1HD PRO 10 5.647 -13.888 -3.283 27 HD3 PRO 10 2HD PRO 10 5.698 -15.507 -4.021 28 H SER 11 H SER 11 8.182 -10.994 -6.694 29 HA SER 11 HA SER 11 9.564 -9.845 -4.517 30 HB2 SER 11 1HB SER 11 8.562 -8.540 -7.059 31 HB3 SER 11 2HB SER 11 9.793 -7.883 -5.979 32 HG SER 11 HG SER 11 10.710 -10.203 -6.465 33 H GLU 12 H GLU 12 6.324 -9.892 -5.484 34 HA GLU 12 HA GLU 12 5.272 -7.555 -4.397 35 HB2 GLU 12 1HB GLU 12 4.039 -9.029 -5.887 36 HB3 GLU 12 2HB GLU 12 4.072 -10.310 -4.689 37 HG2 GLU 12 1HG GLU 12 2.682 -8.960 -3.215 38 HG3 GLU 12 2HG GLU 12 2.643 -7.680 -4.430 39 H THR 13 H THR 13 6.096 -10.653 -2.880 40 HA THR 13 HA THR 13 4.911 -9.802 -0.358 41 HB THR 13 HB THR 13 5.487 -12.082 0.423 42 HG1 THR 13 HG1 THR 13 7.265 -12.667 -0.722 43 HG21 THR 13 3HG2 THR 13 4.085 -12.029 -2.255 44 HG22 THR 13 1HG2 THR 13 3.328 -11.736 -0.689 45 HG23 THR 13 2HG2 THR 13 3.981 -13.331 -1.074 46 H TYR 14 H TYR 14 7.916 -9.775 -1.942 47 HA TYR 14 HA TYR 14 9.472 -9.848 0.518 48 HB2 TYR 14 1HB TYR 14 10.233 -11.224 -1.346 49 HB3 TYR 14 2HB TYR 14 10.279 -9.819 -2.398 50 HD1 TYR 14 HD1 TYR 14 11.940 -11.570 0.359 51 HD2 TYR 14 HD2 TYR 14 12.097 -8.247 -2.280 52 HE1 TYR 14 HE1 TYR 14 14.287 -11.200 0.967 53 HE2 TYR 14 HE2 TYR 14 14.429 -7.861 -1.688 54 HH TYR 14 HH TYR 14 15.961 -8.363 0.215 55 H ILE 15 H ILE 15 7.956 -7.541 -1.413 56 HA ILE 15 HA ILE 15 10.050 -5.598 -1.406 57 HB ILE 15 HB ILE 15 8.434 -5.639 -3.251 58 HG12 ILE 15 1HG1 ILE 15 8.497 -3.161 -1.530 59 HG13 ILE 15 2HG1 ILE 15 9.557 -3.570 -2.874 60 HG21 ILE 15 1HG2 ILE 15 6.445 -6.350 -2.060 61 HG22 ILE 15 2HG2 ILE 15 6.132 -4.836 -2.909 62 HG23 ILE 15 3HG2 ILE 15 6.411 -4.830 -1.167 63 HD11 ILE 15 3HD1 ILE 15 7.964 -1.845 -3.477 64 HD12 ILE 15 1HD1 ILE 15 6.632 -2.918 -3.055 65 HD13 ILE 15 2HD1 ILE 15 7.684 -3.315 -4.416 66 H THR 16 H THR 16 10.203 -3.805 -0.209 67 HA THR 16 HA THR 16 8.850 -3.929 2.351 68 HB THR 16 HB THR 16 10.799 -1.763 1.849 69 HG1 THR 16 HG1 THR 16 11.617 -3.681 0.637 70 HG21 THR 16 3HG2 THR 16 9.891 -2.267 4.057 71 HG22 THR 16 1HG2 THR 16 11.631 -2.570 4.017 72 HG23 THR 16 2HG2 THR 16 10.495 -3.920 3.925 73 H CYS 17 H CYS 17 7.904 -1.953 3.282 74 HA CYS 17 HA CYS 17 6.048 -0.825 1.480 75 HB2 CYS 17 1HB CYS 17 5.427 -1.192 3.747 76 HB3 CYS 17 2HB CYS 17 6.731 -0.167 4.329 77 H ALA 18 H ALA 18 8.561 0.898 3.406 78 HA ALA 18 HA ALA 18 8.374 3.327 2.062 79 HB1 ALA 18 3HB ALA 18 10.840 2.105 3.308 80 HB2 ALA 18 1HB ALA 18 9.607 3.035 4.162 81 HB3 ALA 18 2HB ALA 18 10.606 3.814 2.934 82 H GLU 19 H GLU 19 10.027 0.384 1.201 83 HA GLU 19 HA GLU 19 11.696 1.274 -0.827 84 HB2 GLU 19 1HB GLU 19 11.821 -0.916 0.242 85 HB3 GLU 19 2HB GLU 19 10.288 -1.369 -0.475 86 HG2 GLU 19 1HG GLU 19 11.244 -1.420 -2.651 87 HG3 GLU 19 2HG GLU 19 12.747 -0.700 -2.064 88 H ALA 20 H ALA 20 8.246 0.997 -0.774 89 HA ALA 20 HA ALA 20 7.734 0.625 -3.513 90 HB1 ALA 20 3HB ALA 20 6.119 2.098 -1.430 91 HB2 ALA 20 1HB ALA 20 5.989 0.389 -1.835 92 HB3 ALA 20 2HB ALA 20 5.522 1.614 -3.013 93 H ASN 21 H ASN 21 8.809 3.327 -1.663 94 HA ASN 21 HA ASN 21 8.133 5.403 -3.516 95 HB2 ASN 21 1HB ASN 21 8.638 5.790 -1.094 96 HB3 ASN 21 2HB ASN 21 10.320 5.394 -1.422 97 HD21 ASN 21 2HD2 ASN 21 11.140 7.380 -0.897 98 HD22 ASN 21 1HD2 ASN 21 10.835 8.805 -1.827 99 H GLU 22 H GLU 22 10.855 3.317 -2.947 100 HA GLU 22 HA GLU 22 12.732 4.440 -4.669 101 HB2 GLU 22 1HB GLU 22 12.265 1.573 -3.875 102 HB3 GLU 22 2HB GLU 22 13.639 2.085 -4.838 103 HG2 GLU 22 1HG GLU 22 12.981 2.968 -2.041 104 HG3 GLU 22 2HG GLU 22 14.274 1.871 -2.524 105 H MET 23 H MET 23 10.372 1.843 -5.354 106 HA MET 23 HA MET 23 10.880 1.774 -8.111 107 HB2 MET 23 1HB MET 23 8.285 1.123 -6.712 108 HB3 MET 23 2HB MET 23 8.724 0.642 -8.342 109 HG2 MET 23 1HG MET 23 10.686 -0.575 -7.272 110 HG3 MET 23 2HG MET 23 9.853 -0.321 -5.739 111 HE1 MET 23 3HE MET 23 6.783 -0.461 -7.197 112 HE2 MET 23 1HE MET 23 7.143 -0.986 -5.551 113 HE3 MET 23 2HE MET 23 6.364 -2.093 -6.682 114 H ALA 24 H ALA 24 8.661 3.702 -6.191 115 HA ALA 24 HA ALA 24 7.098 4.833 -8.176 116 HB1 ALA 24 3HB ALA 24 6.661 6.674 -6.649 117 HB2 ALA 24 1HB ALA 24 8.067 6.224 -5.682 118 HB3 ALA 24 2HB ALA 24 6.680 5.139 -5.778 119 H LYS 25 H LYS 25 10.353 5.698 -7.222 120 HA LYS 25 HA LYS 25 10.691 8.140 -8.485 121 HB2 LYS 25 1HB LYS 25 12.751 5.933 -8.405 122 HB3 LYS 25 2HB LYS 25 13.071 7.648 -8.609 123 HG2 LYS 25 1HG LYS 25 12.184 8.053 -6.347 124 HG3 LYS 25 2HG LYS 25 11.947 6.318 -6.152 125 HD2 LYS 25 1HD LYS 25 14.569 7.767 -6.544 126 HD3 LYS 25 2HD LYS 25 14.017 6.944 -5.085 127 HE2 LYS 25 1HE LYS 25 13.977 4.814 -6.408 128 HE3 LYS 25 2HE LYS 25 14.726 5.693 -7.737 129 HZ1 LYS 25 3HZ LYS 25 16.548 6.254 -6.096 130 HZ2 LYS 25 1HZ LYS 25 16.452 4.637 -6.589 131 HZ3 LYS 25 2HZ LYS 25 15.866 5.088 -5.071 132 H THR 26 H THR 26 10.393 5.006 -9.937 133 HA THR 26 HA THR 26 10.904 6.199 -12.583 134 HB THR 26 HB THR 26 11.546 3.836 -13.269 135 HG1 THR 26 HG1 THR 26 10.827 2.627 -11.547 136 HG21 THR 26 3HG2 THR 26 13.288 5.230 -11.229 137 HG22 THR 26 1HG2 THR 26 13.208 5.610 -12.949 138 HG23 THR 26 2HG2 THR 26 13.839 4.052 -12.419 139 H ASP 27 H ASP 27 8.857 4.224 -10.600 140 HA ASP 27 HA ASP 27 6.961 3.885 -12.821 141 HB2 ASP 27 1HB ASP 27 7.563 1.723 -10.792 142 HB3 ASP 27 2HB ASP 27 6.563 1.590 -12.232 143 H SER 28 H SER 28 6.426 5.904 -11.321 144 HA SER 28 HA SER 28 5.348 5.456 -8.761 145 HB2 SER 28 1HB SER 28 4.251 7.740 -9.187 146 HB3 SER 28 2HB SER 28 6.012 7.660 -9.202 147 HG SER 28 HG SER 28 4.389 8.498 -11.127 148 H ALA 29 H ALA 29 3.772 5.654 -11.956 149 HA ALA 29 HA ALA 29 1.143 5.519 -10.882 150 HB1 ALA 29 3HB ALA 29 2.094 4.853 -13.667 151 HB2 ALA 29 1HB ALA 29 1.633 6.459 -13.101 152 HB3 ALA 29 2HB ALA 29 0.430 5.171 -13.177 153 H GLN 30 H GLN 30 3.559 3.185 -11.672 154 HA GLN 30 HA GLN 30 1.779 0.970 -11.895 155 HB2 GLN 30 1HB GLN 30 4.763 1.115 -11.524 156 HB3 GLN 30 2HB GLN 30 3.877 -0.388 -11.736 157 HG2 GLN 30 1HG GLN 30 3.113 0.328 -13.916 158 HG3 GLN 30 2HG GLN 30 3.903 1.887 -13.702 159 HE21 GLN 30 2HE2 GLN 30 5.382 -1.078 -12.635 160 HE22 GLN 30 1HE2 GLN 30 6.617 -1.114 -13.843 161 H VAL 31 H VAL 31 4.182 1.852 -9.372 162 HA VAL 31 HA VAL 31 3.271 -0.001 -7.509 163 HB VAL 31 HB VAL 31 5.434 1.228 -7.355 164 HG11 VAL 31 1HG1 VAL 31 5.496 3.425 -6.281 165 HG12 VAL 31 2HG1 VAL 31 3.736 3.507 -6.369 166 HG13 VAL 31 3HG1 VAL 31 4.693 3.470 -7.852 167 HG21 VAL 31 3HG2 VAL 31 5.484 1.373 -4.935 168 HG22 VAL 31 1HG2 VAL 31 4.563 -0.036 -5.456 169 HG23 VAL 31 2HG2 VAL 31 3.721 1.405 -4.882 170 H ALA 32 H ALA 32 1.902 2.992 -8.477 171 HA ALA 32 HA ALA 32 0.298 3.409 -6.114 172 HB1 ALA 32 3HB ALA 32 -0.846 5.126 -7.447 173 HB2 ALA 32 1HB ALA 32 0.032 4.595 -8.882 174 HB3 ALA 32 2HB ALA 32 0.907 5.310 -7.526 175 H GLU 33 H GLU 33 0.058 1.770 -9.158 176 HA GLU 33 HA GLU 33 -2.738 1.163 -8.864 177 HB2 GLU 33 1HB GLU 33 -1.674 1.466 -11.085 178 HB3 GLU 33 2HB GLU 33 -0.681 0.051 -10.782 179 HG2 GLU 33 1HG GLU 33 -2.569 -1.386 -10.834 180 HG3 GLU 33 2HG GLU 33 -3.682 -0.018 -10.840 181 H ILE 34 H ILE 34 0.330 -0.231 -8.049 182 HA ILE 34 HA ILE 34 -0.514 -2.915 -7.693 183 HB ILE 34 HB ILE 34 1.790 -1.412 -6.415 184 HG12 ILE 34 1HG1 ILE 34 2.010 -1.604 -8.838 185 HG13 ILE 34 2HG1 ILE 34 3.187 -2.637 -8.039 186 HG21 ILE 34 1HG2 ILE 34 1.167 -3.311 -5.024 187 HG22 ILE 34 2HG2 ILE 34 2.714 -3.602 -5.818 188 HG23 ILE 34 3HG2 ILE 34 1.252 -4.382 -6.423 189 HD11 ILE 34 3HD1 ILE 34 1.731 -4.578 -8.466 190 HD12 ILE 34 1HD1 ILE 34 2.238 -3.766 -9.948 191 HD13 ILE 34 2HD1 ILE 34 0.609 -3.520 -9.322 192 H VAL 35 H VAL 35 -0.007 -0.206 -5.370 193 HA VAL 35 HA VAL 35 -1.108 -1.560 -3.193 194 HB VAL 35 HB VAL 35 -1.351 0.674 -2.173 195 HG11 VAL 35 1HG1 VAL 35 1.027 1.297 -2.207 196 HG12 VAL 35 2HG1 VAL 35 1.270 0.217 -3.582 197 HG13 VAL 35 3HG1 VAL 35 0.785 -0.437 -2.018 198 HG21 VAL 35 3HG2 VAL 35 -0.434 1.706 -4.849 199 HG22 VAL 35 1HG2 VAL 35 -0.595 2.669 -3.382 200 HG23 VAL 35 2HG2 VAL 35 -2.024 1.949 -4.126 201 H ALA 36 H ALA 36 -2.579 0.022 -5.880 202 HA ALA 36 HA ALA 36 -5.120 0.502 -4.686 203 HB1 ALA 36 3HB ALA 36 -4.421 0.211 -7.605 204 HB2 ALA 36 1HB ALA 36 -4.346 1.712 -6.683 205 HB3 ALA 36 2HB ALA 36 -5.897 0.918 -6.949 206 H VAL 37 H VAL 37 -3.999 -1.924 -7.041 207 HA VAL 37 HA VAL 37 -6.218 -3.460 -7.316 208 HB VAL 37 HB VAL 37 -3.350 -4.417 -7.208 209 HG11 VAL 37 1HG1 VAL 37 -4.873 -6.297 -6.879 210 HG12 VAL 37 2HG1 VAL 37 -4.113 -6.371 -8.469 211 HG13 VAL 37 3HG1 VAL 37 -5.780 -5.819 -8.313 212 HG21 VAL 37 3HG2 VAL 37 -5.140 -3.682 -9.523 213 HG22 VAL 37 1HG2 VAL 37 -3.495 -4.305 -9.653 214 HG23 VAL 37 2HG2 VAL 37 -3.786 -2.731 -8.913 215 H MET 38 H MET 38 -3.648 -4.343 -4.932 216 HA MET 38 HA MET 38 -5.481 -6.157 -3.692 217 HB2 MET 38 1HB MET 38 -3.036 -6.610 -3.948 218 HB3 MET 38 2HB MET 38 -2.718 -5.340 -2.780 219 HG2 MET 38 1HG MET 38 -4.551 -7.545 -1.997 220 HG3 MET 38 2HG MET 38 -2.826 -7.882 -2.082 221 HE1 MET 38 3HE MET 38 -1.315 -5.598 0.622 222 HE2 MET 38 1HE MET 38 -1.391 -5.321 -1.118 223 HE3 MET 38 2HE MET 38 -1.054 -6.936 -0.496 224 H GLY 39 H GLY 39 -4.369 -2.912 -3.101 225 HA2 GLY 39 1HA GLY 39 -4.965 -2.712 -0.364 226 HA3 GLY 39 2HA GLY 39 -4.901 -1.371 -1.493 227 H ASN 40 H ASN 40 -6.926 -1.626 -3.116 228 HA ASN 40 HA ASN 40 -9.172 -0.879 -1.665 229 HB2 ASN 40 1HB ASN 40 -10.236 -0.583 -3.683 230 HB3 ASN 40 2HB ASN 40 -8.579 -0.751 -4.259 231 HD21 ASN 40 2HD2 ASN 40 -7.978 -2.583 -5.337 232 HD22 ASN 40 1HD2 ASN 40 -9.119 -3.726 -5.962 233 H ALA 41 H ALA 41 -8.215 -4.067 -2.768 234 HA ALA 41 HA ALA 41 -10.645 -5.364 -2.068 235 HB1 ALA 41 3HB ALA 41 -9.074 -6.328 -3.686 236 HB2 ALA 41 1HB ALA 41 -9.379 -7.436 -2.348 237 HB3 ALA 41 2HB ALA 41 -7.874 -6.519 -2.407 238 H SER 42 H SER 42 -7.506 -5.036 -0.537 239 HA SER 42 HA SER 42 -7.948 -6.475 1.798 240 HB2 SER 42 1HB SER 42 -5.735 -5.614 1.158 241 HB3 SER 42 2HB SER 42 -6.275 -3.969 1.480 242 HG SER 42 HG SER 42 -5.709 -6.051 3.275 243 H VAL 43 H VAL 43 -8.392 -2.949 1.359 244 HA VAL 43 HA VAL 43 -9.417 -2.557 3.951 245 HB VAL 43 HB VAL 43 -10.193 -0.352 3.179 246 HG11 VAL 43 1HG1 VAL 43 -7.993 0.518 2.466 247 HG12 VAL 43 2HG1 VAL 43 -7.445 -1.140 2.231 248 HG13 VAL 43 3HG1 VAL 43 -7.893 -0.579 3.842 249 HG21 VAL 43 3HG2 VAL 43 -9.334 -1.298 0.443 250 HG22 VAL 43 1HG2 VAL 43 -9.790 0.356 0.855 251 HG23 VAL 43 2HG2 VAL 43 -10.984 -0.940 0.953 252 H ALA 44 H ALA 44 -11.054 -3.220 0.886 253 HA ALA 44 HA ALA 44 -13.683 -2.894 1.899 254 HB1 ALA 44 3HB ALA 44 -12.742 -4.532 -0.459 255 HB2 ALA 44 1HB ALA 44 -13.166 -2.823 -0.502 256 HB3 ALA 44 2HB ALA 44 -14.402 -4.027 -0.143 257 H SER 45 H SER 45 -11.507 -5.605 1.630 258 HA SER 45 HA SER 45 -13.108 -7.740 2.242 259 HB2 SER 45 1HB SER 45 -10.688 -7.804 1.575 260 HB3 SER 45 2HB SER 45 -10.272 -7.392 3.235 261 HG SER 45 HG SER 45 -10.830 -9.346 3.886 262 H ARG 46 H ARG 46 -11.987 -5.260 4.478 263 HA ARG 46 HA ARG 46 -13.142 -6.868 6.670 264 HB2 ARG 46 1HB ARG 46 -10.691 -6.158 6.795 265 HB3 ARG 46 2HB ARG 46 -11.289 -4.525 7.049 266 HG2 ARG 46 1HG ARG 46 -10.894 -5.309 9.202 267 HG3 ARG 46 2HG ARG 46 -12.633 -5.534 8.996 268 HD2 ARG 46 1HD ARG 46 -10.452 -7.608 8.907 269 HD3 ARG 46 2HD ARG 46 -11.846 -7.535 9.981 270 HE ARG 46 HE ARG 46 -11.888 -8.265 7.134 271 HH11 ARG 46 1HH1 ARG 46 -13.432 -8.250 10.291 272 HH12 ARG 46 2HH1 ARG 46 -14.756 -9.235 9.786 273 HH21 ARG 46 1HH2 ARG 46 -13.654 -9.524 6.450 274 HH22 ARG 46 2HH2 ARG 46 -14.890 -9.968 7.577 275 H ASP 47 H ASP 47 -13.369 -3.909 4.934 276 HA ASP 47 HA ASP 47 -15.095 -2.683 6.921 277 HB2 ASP 47 1HB ASP 47 -13.406 -1.397 5.590 278 HB3 ASP 47 2HB ASP 47 -14.397 -1.689 4.169 279 H LEU 48 H LEU 48 -15.312 -3.799 3.577 280 HA LEU 48 HA LEU 48 -16.989 -4.617 2.316 281 HB2 LEU 48 1HB LEU 48 -18.570 -4.697 4.886 282 HB3 LEU 48 2HB LEU 48 -19.060 -5.438 3.375 283 HG LEU 48 HG LEU 48 -16.618 -6.209 4.978 284 HD11 LEU 48 1HD1 LEU 48 -17.857 -8.254 5.473 285 HD12 LEU 48 2HD1 LEU 48 -19.268 -7.597 4.643 286 HD13 LEU 48 3HD1 LEU 48 -18.671 -6.826 6.113 287 HD21 LEU 48 3HD2 LEU 48 -17.842 -7.425 2.503 288 HD22 LEU 48 1HD2 LEU 48 -16.522 -8.127 3.440 289 HD23 LEU 48 2HD2 LEU 48 -16.290 -6.592 2.607 290 H LYS 49 H LYS 49 -16.935 -1.637 3.488 291 HA LYS 49 HA LYS 49 -19.367 -0.874 2.010 292 HB2 LYS 49 1HB LYS 49 -18.222 0.421 4.483 293 HB3 LYS 49 2HB LYS 49 -19.569 1.059 3.554 294 HG2 LYS 49 1HG LYS 49 -21.011 -0.603 4.249 295 HG3 LYS 49 2HG LYS 49 -19.703 -1.717 4.643 296 HD2 LYS 49 1HD LYS 49 -20.336 0.816 6.154 297 HD3 LYS 49 2HD LYS 49 -20.836 -0.805 6.644 298 HE2 LYS 49 1HE LYS 49 -18.398 -1.439 6.634 299 HE3 LYS 49 2HE LYS 49 -18.028 0.267 6.408 300 HZ1 LYS 49 3HZ LYS 49 -19.196 0.729 8.480 301 HZ2 LYS 49 1HZ LYS 49 -17.893 -0.325 8.711 302 HZ3 LYS 49 2HZ LYS 49 -19.470 -0.926 8.697 303 H ILE 50 H ILE 50 -16.079 -0.790 2.055 304 HA ILE 50 HA ILE 50 -15.710 1.882 1.041 305 HB ILE 50 HB ILE 50 -13.779 -0.441 1.283 306 HG12 ILE 50 1HG1 ILE 50 -13.997 2.137 2.847 307 HG13 ILE 50 2HG1 ILE 50 -14.575 0.571 3.401 308 HG21 ILE 50 1HG2 ILE 50 -12.006 1.197 0.792 309 HG22 ILE 50 2HG2 ILE 50 -13.235 2.418 0.462 310 HG23 ILE 50 3HG2 ILE 50 -13.107 0.995 -0.572 311 HD11 ILE 50 3HD1 ILE 50 -12.289 -0.282 3.338 312 HD12 ILE 50 1HD1 ILE 50 -12.445 1.115 4.403 313 HD13 ILE 50 2HD1 ILE 50 -11.720 1.301 2.805 314 H GLU 51 H GLU 51 -15.659 2.494 -1.020 315 HA GLU 51 HA GLU 51 -16.355 0.562 -3.054 316 HB2 GLU 51 1HB GLU 51 -15.971 3.549 -3.233 317 HB3 GLU 51 2HB GLU 51 -16.634 2.522 -4.491 318 HG2 GLU 51 1HG GLU 51 -18.532 1.992 -3.096 319 HG3 GLU 51 2HG GLU 51 -17.850 2.955 -1.782 320 H GLN 52 H GLN 52 -15.234 0.507 -5.090 321 HA GLN 52 HA GLN 52 -12.375 0.520 -4.765 322 HB2 GLN 52 1HB GLN 52 -14.071 -0.114 -7.186 323 HB3 GLN 52 2HB GLN 52 -12.351 -0.434 -7.027 324 HG2 GLN 52 1HG GLN 52 -12.756 -2.041 -5.293 325 HG3 GLN 52 2HG GLN 52 -14.471 -1.641 -5.272 326 HE21 GLN 52 2HE2 GLN 52 -15.051 -3.757 -5.709 327 HE22 GLN 52 1HE2 GLN 52 -14.838 -4.468 -7.272 328 H SER 53 H SER 53 -11.740 2.617 -4.609 329 HA SER 53 HA SER 53 -12.077 4.237 -7.026 330 HB2 SER 53 1HB SER 53 -12.302 5.319 -4.208 331 HB3 SER 53 2HB SER 53 -12.484 6.237 -5.705 332 HG SER 53 HG SER 53 -14.173 4.368 -6.024 333 HA PRO 54 HA PRO 54 -7.685 4.684 -6.896 334 HB2 PRO 54 1HB PRO 54 -7.469 7.143 -8.111 335 HB3 PRO 54 2HB PRO 54 -7.744 5.630 -8.981 336 HG2 PRO 54 1HG PRO 54 -9.721 7.709 -8.128 337 HG3 PRO 54 2HG PRO 54 -9.609 6.842 -9.672 338 HD2 PRO 54 1HD PRO 54 -11.396 6.146 -7.812 339 HD3 PRO 54 2HD PRO 54 -10.574 4.919 -8.798 340 H GLU 55 H GLU 55 -9.816 6.944 -5.408 341 HA GLU 55 HA GLU 55 -7.960 8.689 -4.221 342 HB2 GLU 55 1HB GLU 55 -10.697 7.809 -3.301 343 HB3 GLU 55 2HB GLU 55 -9.772 9.093 -2.536 344 HG2 GLU 55 1HG GLU 55 -9.801 10.358 -4.621 345 HG3 GLU 55 2HG GLU 55 -10.724 9.068 -5.390 346 H LEU 56 H LEU 56 -9.082 5.489 -3.377 347 HA LEU 56 HA LEU 56 -7.985 5.433 -0.763 348 HB2 LEU 56 1HB LEU 56 -8.809 3.259 -2.683 349 HB3 LEU 56 2HB LEU 56 -8.082 2.889 -1.131 350 HG LEU 56 HG LEU 56 -10.449 2.636 -0.930 351 HD11 LEU 56 1HD1 LEU 56 -10.978 4.184 0.859 352 HD12 LEU 56 2HD1 LEU 56 -9.645 5.228 0.373 353 HD13 LEU 56 3HD1 LEU 56 -9.315 3.609 0.991 354 HD21 LEU 56 3HD2 LEU 56 -10.707 5.458 -1.967 355 HD22 LEU 56 1HD2 LEU 56 -12.030 4.465 -1.352 356 HD23 LEU 56 2HD2 LEU 56 -11.174 3.984 -2.816 357 H SER 57 H SER 57 -6.785 4.577 -3.968 358 HA SER 57 HA SER 57 -4.363 3.388 -3.268 359 HB2 SER 57 1HB SER 57 -4.625 5.230 -5.629 360 HB3 SER 57 2HB SER 57 -3.756 3.702 -5.509 361 HG SER 57 HG SER 57 -5.688 3.489 -6.687 362 H ALA 58 H ALA 58 -4.855 6.704 -4.355 363 HA ALA 58 HA ALA 58 -2.489 7.892 -3.707 364 HB1 ALA 58 3HB ALA 58 -5.195 9.153 -3.272 365 HB2 ALA 58 1HB ALA 58 -4.330 9.074 -4.807 366 HB3 ALA 58 2HB ALA 58 -3.669 10.013 -3.468 367 H LYS 59 H LYS 59 -5.169 7.335 -1.457 368 HA LYS 59 HA LYS 59 -4.031 8.589 0.787 369 HB2 LYS 59 1HB LYS 59 -6.441 7.901 0.420 370 HB3 LYS 59 2HB LYS 59 -5.949 6.262 0.802 371 HG2 LYS 59 1HG LYS 59 -5.186 7.068 3.023 372 HG3 LYS 59 2HG LYS 59 -5.852 8.654 2.621 373 HD2 LYS 59 1HD LYS 59 -8.054 7.483 2.199 374 HD3 LYS 59 2HD LYS 59 -7.334 6.047 2.926 375 HE2 LYS 59 1HE LYS 59 -8.584 7.194 4.612 376 HE3 LYS 59 2HE LYS 59 -6.870 7.398 4.967 377 HZ1 LYS 59 3HZ LYS 59 -6.971 9.604 3.977 378 HZ2 LYS 59 1HZ LYS 59 -8.086 9.467 5.236 379 HZ3 LYS 59 2HZ LYS 59 -8.612 9.401 3.639 380 H VAL 60 H VAL 60 -4.271 5.146 0.010 381 HA VAL 60 HA VAL 60 -2.775 4.202 2.188 382 HB VAL 60 HB VAL 60 -4.277 2.757 0.839 383 HG11 VAL 60 1HG1 VAL 60 -2.020 2.715 -1.150 384 HG12 VAL 60 2HG1 VAL 60 -3.604 3.453 -1.385 385 HG13 VAL 60 3HG1 VAL 60 -3.465 1.703 -1.201 386 HG21 VAL 60 3HG2 VAL 60 -2.923 0.725 0.983 387 HG22 VAL 60 1HG2 VAL 60 -2.701 1.756 2.399 388 HG23 VAL 60 2HG2 VAL 60 -1.467 1.709 1.141 389 H VAL 61 H VAL 61 -1.610 5.556 -0.774 390 HA VAL 61 HA VAL 61 1.047 4.399 -0.316 391 HB VAL 61 HB VAL 61 0.101 4.481 -2.660 392 HG11 VAL 61 1HG1 VAL 61 0.631 7.434 -2.405 393 HG12 VAL 61 2HG1 VAL 61 -0.942 6.661 -2.601 394 HG13 VAL 61 3HG1 VAL 61 0.246 6.584 -3.904 395 HG21 VAL 61 3HG2 VAL 61 2.482 4.153 -2.271 396 HG22 VAL 61 1HG2 VAL 61 2.728 5.899 -2.213 397 HG23 VAL 61 2HG2 VAL 61 2.220 5.130 -3.716 398 H GLU 62 H GLU 62 -0.740 7.235 0.220 399 HA GLU 62 HA GLU 62 1.532 8.993 0.450 400 HB2 GLU 62 1HB GLU 62 -0.634 9.853 -0.306 401 HB3 GLU 62 2HB GLU 62 -1.355 9.408 1.233 402 HG2 GLU 62 1HG GLU 62 -0.916 11.769 1.184 403 HG3 GLU 62 2HG GLU 62 0.130 10.993 2.368 404 H LYS 63 H LYS 63 -0.892 7.741 2.742 405 HA LYS 63 HA LYS 63 0.626 8.816 4.943 406 HB2 LYS 63 1HB LYS 63 -1.923 7.210 4.954 407 HB3 LYS 63 2HB LYS 63 -1.208 7.992 6.360 408 HG2 LYS 63 1HG LYS 63 -2.288 9.351 3.894 409 HG3 LYS 63 2HG LYS 63 -2.990 9.367 5.514 410 HD2 LYS 63 1HD LYS 63 -1.103 10.605 6.370 411 HD3 LYS 63 2HD LYS 63 -0.265 10.471 4.826 412 HE2 LYS 63 1HE LYS 63 -2.084 11.774 3.773 413 HE3 LYS 63 2HE LYS 63 -2.815 11.975 5.364 414 HZ1 LYS 63 3HZ LYS 63 -1.455 13.882 4.705 415 HZ2 LYS 63 1HZ LYS 63 -0.090 12.885 4.629 416 HZ3 LYS 63 2HZ LYS 63 -0.868 13.143 6.105 417 H LEU 64 H LEU 64 -0.214 5.563 3.881 418 HA LEU 64 HA LEU 64 1.057 4.285 6.020 419 HB2 LEU 64 1HB LEU 64 0.320 3.311 3.294 420 HB3 LEU 64 2HB LEU 64 1.359 2.323 4.302 421 HG LEU 64 HG LEU 64 -0.977 1.656 4.457 422 HD11 LEU 64 1HD1 LEU 64 0.027 2.913 7.013 423 HD12 LEU 64 2HD1 LEU 64 0.497 1.332 6.387 424 HD13 LEU 64 3HD1 LEU 64 -1.169 1.623 6.881 425 HD21 LEU 64 3HD2 LEU 64 -2.619 3.120 5.556 426 HD22 LEU 64 1HD2 LEU 64 -2.048 3.796 4.030 427 HD23 LEU 64 2HD2 LEU 64 -1.437 4.429 5.557 428 H ASN 65 H ASN 65 2.473 5.084 2.845 429 HA ASN 65 HA ASN 65 5.048 4.118 3.418 430 HB2 ASN 65 1HB ASN 65 4.369 4.705 1.150 431 HB3 ASN 65 2HB ASN 65 4.221 6.402 1.600 432 HD21 ASN 65 2HD2 ASN 65 5.737 7.230 0.255 433 HD22 ASN 65 1HD2 ASN 65 7.419 6.840 0.328 434 H GLN 66 H GLN 66 3.379 6.939 4.376 435 HA GLN 66 HA GLN 66 5.639 8.486 5.212 436 HB2 GLN 66 1HB GLN 66 2.953 9.017 4.967 437 HB3 GLN 66 2HB GLN 66 3.139 8.912 6.710 438 HG2 GLN 66 1HG GLN 66 3.389 11.192 6.029 439 HG3 GLN 66 2HG GLN 66 4.947 10.584 6.587 440 HE21 GLN 66 2HE2 GLN 66 3.517 9.830 3.464 441 HE22 GLN 66 1HE2 GLN 66 4.691 10.675 2.521 442 H VAL 67 H VAL 67 3.359 6.325 6.833 443 HA VAL 67 HA VAL 67 4.622 6.296 9.353 444 HB VAL 67 HB VAL 67 3.070 4.028 8.083 445 HG11 VAL 67 1HG1 VAL 67 4.284 3.347 10.075 446 HG12 VAL 67 2HG1 VAL 67 2.550 3.383 10.393 447 HG13 VAL 67 3HG1 VAL 67 3.581 4.686 10.982 448 HG21 VAL 67 3HG2 VAL 67 2.060 6.348 9.726 449 HG22 VAL 67 1HG2 VAL 67 1.095 4.967 9.208 450 HG23 VAL 67 2HG2 VAL 67 1.760 6.077 8.009 451 H CYS 68 H CYS 68 5.078 4.279 6.443 452 HA CYS 68 HA CYS 68 6.991 2.557 7.578 453 HB2 CYS 68 1HB CYS 68 6.630 3.333 4.693 454 HB3 CYS 68 2HB CYS 68 7.413 1.878 5.308 455 H ALA 69 H ALA 69 7.169 5.797 6.802 456 HA ALA 69 HA ALA 69 9.995 5.849 6.185 457 HB1 ALA 69 3HB ALA 69 9.772 8.287 6.288 458 HB2 ALA 69 1HB ALA 69 8.127 8.113 6.902 459 HB3 ALA 69 2HB ALA 69 8.519 7.578 5.268 460 H LYS 70 H LYS 70 8.024 5.692 8.952 461 HA LYS 70 HA LYS 70 10.230 6.580 10.689 462 HB2 LYS 70 1HB LYS 70 8.662 6.891 12.471 463 HB3 LYS 70 2HB LYS 70 7.950 7.628 11.047 464 HG2 LYS 70 1HG LYS 70 6.569 5.599 10.741 465 HG3 LYS 70 2HG LYS 70 7.229 4.965 12.247 466 HD2 LYS 70 1HD LYS 70 5.669 7.535 11.957 467 HD3 LYS 70 2HD LYS 70 5.026 6.010 12.565 468 HE2 LYS 70 1HE LYS 70 6.757 6.097 14.369 469 HE3 LYS 70 2HE LYS 70 7.182 7.712 13.807 470 HZ1 LYS 70 3HZ LYS 70 5.652 7.847 15.639 471 HZ2 LYS 70 1HZ LYS 70 4.539 6.854 14.845 472 HZ3 LYS 70 2HZ LYS 70 4.879 8.392 14.240 473 H ASP 71 H ASP 71 9.028 3.929 9.256 474 HA ASP 71 HA ASP 71 10.486 2.133 10.946 475 HB2 ASP 71 1HB ASP 71 8.354 2.074 12.121 476 HB3 ASP 71 2HB ASP 71 7.495 1.808 10.609 477 HA PRO 72 HA PRO 72 10.679 1.220 6.506 478 HB2 PRO 72 1HB PRO 72 13.260 0.491 6.437 479 HB3 PRO 72 2HB PRO 72 12.773 2.188 6.537 480 HG2 PRO 72 1HG PRO 72 13.729 0.359 8.702 481 HG3 PRO 72 2HG PRO 72 14.138 2.059 8.411 482 HD2 PRO 72 1HD PRO 72 12.292 1.208 10.259 483 HD3 PRO 72 2HD PRO 72 12.272 2.812 9.498 484 H GLN 73 H GLN 73 11.003 -0.763 9.246 485 HA GLN 73 HA GLN 73 11.640 -3.198 7.903 486 HB2 GLN 73 1HB GLN 73 11.956 -2.577 10.390 487 HB3 GLN 73 2HB GLN 73 10.266 -3.016 10.569 488 HG2 GLN 73 1HG GLN 73 11.676 -4.869 11.174 489 HG3 GLN 73 2HG GLN 73 10.763 -5.255 9.716 490 HE21 GLN 73 2HE2 GLN 73 13.545 -3.130 9.721 491 HE22 GLN 73 1HE2 GLN 73 14.596 -4.194 8.853 492 H MET 74 H MET 74 8.891 -1.348 7.905 493 HA MET 74 HA MET 74 6.910 -3.427 7.977 494 HB2 MET 74 1HB MET 74 6.395 -1.135 8.694 495 HB3 MET 74 2HB MET 74 6.751 -0.542 7.082 496 HG2 MET 74 1HG MET 74 4.383 -0.654 7.361 497 HG3 MET 74 2HG MET 74 4.878 -1.892 6.210 498 HE1 MET 74 3HE MET 74 5.151 -1.944 10.170 499 HE2 MET 74 1HE MET 74 3.621 -2.719 10.574 500 HE3 MET 74 2HE MET 74 3.629 -1.122 9.826 501 H LEU 75 H LEU 75 6.263 -4.660 6.306 502 HA LEU 75 HA LEU 75 7.410 -4.274 3.664 503 HB2 LEU 75 1HB LEU 75 5.412 -6.309 4.656 504 HB3 LEU 75 2HB LEU 75 6.197 -6.333 3.090 505 HG LEU 75 HG LEU 75 7.563 -6.680 5.755 506 HD11 LEU 75 1HD1 LEU 75 7.925 -8.971 4.998 507 HD12 LEU 75 2HD1 LEU 75 6.991 -8.640 3.539 508 HD13 LEU 75 3HD1 LEU 75 6.207 -8.598 5.118 509 HD21 LEU 75 3HD2 LEU 75 8.668 -6.797 2.952 510 HD22 LEU 75 1HD2 LEU 75 9.543 -7.214 4.424 511 HD23 LEU 75 2HD2 LEU 75 9.012 -5.555 4.157 512 H LEU 76 H LEU 76 6.034 -4.300 1.723 513 HA LEU 76 HA LEU 76 4.143 -2.203 1.864 514 HB2 LEU 76 1HB LEU 76 5.502 -2.732 -0.146 515 HB3 LEU 76 2HB LEU 76 4.553 -4.192 -0.368 516 HG LEU 76 HG LEU 76 2.532 -2.816 -0.705 517 HD11 LEU 76 1HD1 LEU 76 4.460 -0.507 -0.515 518 HD12 LEU 76 2HD1 LEU 76 3.129 -0.864 0.585 519 HD13 LEU 76 3HD1 LEU 76 2.796 -0.396 -1.082 520 HD21 LEU 76 3HD2 LEU 76 4.829 -2.077 -2.516 521 HD22 LEU 76 1HD2 LEU 76 3.116 -1.991 -2.920 522 HD23 LEU 76 2HD2 LEU 76 3.874 -3.556 -2.621 523 H ILE 77 H ILE 77 3.812 -5.703 1.486 524 HA ILE 77 HA ILE 77 1.031 -5.820 1.249 525 HB ILE 77 HB ILE 77 2.862 -7.846 2.562 526 HG12 ILE 77 1HG1 ILE 77 3.574 -7.352 0.281 527 HG13 ILE 77 2HG1 ILE 77 2.868 -8.960 0.359 528 HG21 ILE 77 1HG2 ILE 77 1.122 -9.488 2.021 529 HG22 ILE 77 2HG2 ILE 77 0.091 -8.190 1.419 530 HG23 ILE 77 3HG2 ILE 77 0.532 -8.246 3.126 531 HD11 ILE 77 3HD1 ILE 77 1.500 -6.478 -0.667 532 HD12 ILE 77 1HD1 ILE 77 0.794 -8.093 -0.596 533 HD13 ILE 77 2HD1 ILE 77 2.175 -7.778 -1.647 534 H THR 78 H THR 78 3.107 -5.938 4.130 535 HA THR 78 HA THR 78 1.066 -6.269 6.005 536 HB THR 78 HB THR 78 3.586 -4.756 6.620 537 HG1 THR 78 HG1 THR 78 4.556 -6.906 6.793 538 HG21 THR 78 3HG2 THR 78 3.455 -6.077 8.690 539 HG22 THR 78 1HG2 THR 78 2.019 -6.895 8.076 540 HG23 THR 78 2HG2 THR 78 1.969 -5.167 8.423 541 H ALA 79 H ALA 79 2.752 -3.313 4.923 542 HA ALA 79 HA ALA 79 1.412 -1.420 6.403 543 HB1 ALA 79 3HB ALA 79 1.967 0.186 4.666 544 HB2 ALA 79 1HB ALA 79 2.279 -1.129 3.534 545 HB3 ALA 79 2HB ALA 79 3.311 -0.919 4.948 546 H ILE 80 H ILE 80 0.419 -2.701 3.235 547 HA ILE 80 HA ILE 80 -1.944 -1.166 3.049 548 HB ILE 80 HB ILE 80 -1.330 -3.841 1.780 549 HG12 ILE 80 1HG1 ILE 80 -1.004 -1.040 0.679 550 HG13 ILE 80 2HG1 ILE 80 0.311 -2.053 1.257 551 HG21 ILE 80 1HG2 ILE 80 -3.395 -1.762 1.068 552 HG22 ILE 80 2HG2 ILE 80 -3.711 -3.366 1.729 553 HG23 ILE 80 3HG2 ILE 80 -3.021 -3.196 0.114 554 HD11 ILE 80 3HD1 ILE 80 -1.479 -2.637 -1.090 555 HD12 ILE 80 1HD1 ILE 80 -0.180 -3.676 -0.506 556 HD13 ILE 80 2HD1 ILE 80 0.193 -2.084 -1.158 557 H ASP 81 H ASP 81 -1.268 -4.359 4.388 558 HA ASP 81 HA ASP 81 -3.954 -5.018 5.020 559 HB2 ASP 81 1HB ASP 81 -2.060 -6.661 4.921 560 HB3 ASP 81 2HB ASP 81 -1.440 -5.969 6.415 561 H ASP 82 H ASP 82 -1.476 -3.138 6.575 562 HA ASP 82 HA ASP 82 -2.791 -2.915 9.074 563 HB2 ASP 82 1HB ASP 82 -0.368 -2.529 8.867 564 HB3 ASP 82 2HB ASP 82 -0.680 -1.113 7.870 565 H THR 83 H THR 83 -2.864 -1.241 6.083 566 HA THR 83 HA THR 83 -4.237 1.113 6.774 567 HB THR 83 HB THR 83 -4.588 -0.418 4.186 568 HG1 THR 83 HG1 THR 83 -2.282 0.115 5.065 569 HG21 THR 83 3HG2 THR 83 -4.817 1.828 3.220 570 HG22 THR 83 1HG2 THR 83 -4.611 2.535 4.822 571 HG23 THR 83 2HG2 THR 83 -6.024 1.540 4.473 572 H MET 84 H MET 84 -5.230 -2.164 6.111 573 HA MET 84 HA MET 84 -7.991 -1.896 5.889 574 HB2 MET 84 1HB MET 84 -7.133 -4.017 5.420 575 HB3 MET 84 2HB MET 84 -6.208 -4.078 6.913 576 HG2 MET 84 1HG MET 84 -8.372 -4.205 8.153 577 HG3 MET 84 2HG MET 84 -9.182 -4.356 6.597 578 HE1 MET 84 3HE MET 84 -7.837 -7.696 5.228 579 HE2 MET 84 1HE MET 84 -7.055 -6.127 4.987 580 HE3 MET 84 2HE MET 84 -8.812 -6.244 4.959 581 H ARG 85 H ARG 85 -5.929 -2.052 8.740 582 HA ARG 85 HA ARG 85 -8.072 -2.222 10.604 583 HB2 ARG 85 1HB ARG 85 -5.257 -1.265 11.093 584 HB3 ARG 85 2HB ARG 85 -6.372 -1.962 12.263 585 HG2 ARG 85 1HG ARG 85 -5.887 -4.065 11.673 586 HG3 ARG 85 2HG ARG 85 -5.810 -3.672 9.954 587 HD2 ARG 85 1HD ARG 85 -3.623 -2.488 10.539 588 HD3 ARG 85 2HD ARG 85 -3.679 -3.375 12.034 589 HE ARG 85 HE ARG 85 -4.034 -5.101 9.794 590 HH11 ARG 85 1HH1 ARG 85 -1.575 -3.392 11.621 591 HH12 ARG 85 2HH1 ARG 85 -0.320 -4.512 11.226 592 HH21 ARG 85 1HH2 ARG 85 -2.368 -6.560 9.217 593 HH22 ARG 85 2HH2 ARG 85 -0.774 -6.326 9.857 594 H ALA 86 H ALA 86 -5.997 0.367 9.412 595 HA ALA 86 HA ALA 86 -6.978 2.442 10.983 596 HB1 ALA 86 3HB ALA 86 -5.923 2.634 8.166 597 HB2 ALA 86 1HB ALA 86 -4.936 2.586 9.627 598 HB3 ALA 86 2HB ALA 86 -6.020 3.945 9.340 599 H ILE 87 H ILE 87 -7.981 1.531 7.688 600 HA ILE 87 HA ILE 87 -10.135 3.491 7.797 601 HB ILE 87 HB ILE 87 -9.712 1.509 5.581 602 HG12 ILE 87 1HG1 ILE 87 -8.491 4.259 5.799 603 HG13 ILE 87 2HG1 ILE 87 -7.607 2.755 6.066 604 HG21 ILE 87 1HG2 ILE 87 -10.799 3.248 4.238 605 HG22 ILE 87 2HG2 ILE 87 -10.944 4.265 5.671 606 HG23 ILE 87 3HG2 ILE 87 -11.821 2.738 5.581 607 HD11 ILE 87 3HD1 ILE 87 -8.098 2.057 3.822 608 HD12 ILE 87 1HD1 ILE 87 -7.257 3.610 3.824 609 HD13 ILE 87 2HD1 ILE 87 -9.005 3.542 3.541 610 H GLY 88 H GLY 88 -9.787 -0.025 7.777 611 HA2 GLY 88 1HA GLY 88 -12.344 -0.918 7.350 612 HA3 GLY 88 2HA GLY 88 -11.207 -1.684 8.434 613 H LYS 89 H LYS 89 -13.907 0.468 8.204 614 HA LYS 89 HA LYS 89 -14.054 0.782 11.096 615 HB2 LYS 89 1HB LYS 89 -15.751 1.864 8.846 616 HB3 LYS 89 2HB LYS 89 -16.079 2.165 10.545 617 HG2 LYS 89 1HG LYS 89 -14.091 3.407 10.812 618 HG3 LYS 89 2HG LYS 89 -13.461 2.871 9.254 619 HD2 LYS 89 1HD LYS 89 -14.250 5.158 9.081 620 HD3 LYS 89 2HD LYS 89 -15.281 4.093 8.128 621 HE2 LYS 89 1HE LYS 89 -16.924 4.075 9.951 622 HE3 LYS 89 2HE LYS 89 -15.894 5.163 10.879 623 HZ1 LYS 89 3HZ LYS 89 -16.130 6.812 9.116 624 HZ2 LYS 89 1HZ LYS 89 -17.634 6.376 9.747 625 HZ3 LYS 89 2HZ LYS 89 -17.143 5.771 8.253 626 H LYS 90 H LYS 90 -14.782 -0.946 12.146 627 HA LYS 90 HA LYS 90 -17.086 -2.378 11.045 628 HB2 LYS 90 1HB LYS 90 -15.126 -3.765 11.631 629 HB3 LYS 90 2HB LYS 90 -15.201 -3.172 13.283 630 HG2 LYS 90 1HG LYS 90 -17.394 -4.217 13.561 631 HG3 LYS 90 2HG LYS 90 -17.315 -4.814 11.904 632 HD2 LYS 90 1HD LYS 90 -15.327 -6.122 12.463 633 HD3 LYS 90 2HD LYS 90 -15.381 -5.507 14.116 634 HE2 LYS 90 1HE LYS 90 -17.561 -6.558 14.439 635 HE3 LYS 90 2HE LYS 90 -17.531 -7.153 12.780 636 HZ1 LYS 90 3HZ LYS 90 -15.574 -8.460 13.333 637 HZ2 LYS 90 1HZ LYS 90 -16.873 -8.869 14.333 638 HZ3 LYS 90 2HZ LYS 90 -15.619 -7.903 14.925 Start of MODEL 20 1 H ASN 7 H ASN 7 -1.576 -16.780 -5.752 2 HA ASN 7 HA ASN 7 -0.517 -17.089 -3.030 3 HB2 ASN 7 1HB ASN 7 0.256 -19.326 -3.759 4 HB3 ASN 7 2HB ASN 7 -1.487 -19.141 -3.911 5 HD21 ASN 7 2HD2 ASN 7 1.525 -19.460 -5.615 6 HD22 ASN 7 1HD2 ASN 7 0.825 -19.765 -7.165 7 H GLY 8 H GLY 8 0.314 -16.332 -6.316 8 HA2 GLY 8 1HA GLY 8 3.167 -16.387 -5.697 9 HA3 GLY 8 2HA GLY 8 2.449 -16.174 -7.289 10 H LEU 9 H LEU 9 3.290 -14.624 -4.297 11 HA LEU 9 HA LEU 9 2.403 -12.029 -5.183 12 HB2 LEU 9 1HB LEU 9 3.950 -12.917 -2.750 13 HB3 LEU 9 2HB LEU 9 3.577 -11.242 -3.084 14 HG LEU 9 HG LEU 9 1.120 -11.923 -3.054 15 HD11 LEU 9 1HD1 LEU 9 2.260 -14.387 -1.752 16 HD12 LEU 9 2HD1 LEU 9 1.423 -14.329 -3.303 17 HD13 LEU 9 3HD1 LEU 9 0.555 -13.945 -1.816 18 HD21 LEU 9 3HD2 LEU 9 2.173 -10.680 -1.249 19 HD22 LEU 9 1HD2 LEU 9 2.739 -12.186 -0.526 20 HD23 LEU 9 2HD2 LEU 9 1.012 -11.845 -0.612 21 HA PRO 10 HA PRO 10 6.185 -11.320 -7.502 22 HB2 PRO 10 1HB PRO 10 5.099 -8.567 -7.608 23 HB3 PRO 10 2HB PRO 10 5.547 -9.648 -8.933 24 HG2 PRO 10 1HG PRO 10 2.986 -9.123 -8.387 25 HG3 PRO 10 2HG PRO 10 3.506 -10.733 -8.916 26 HD2 PRO 10 1HD PRO 10 2.828 -9.769 -6.165 27 HD3 PRO 10 2HD PRO 10 2.436 -11.313 -6.957 28 H SER 11 H SER 11 8.049 -9.922 -7.287 29 HA SER 11 HA SER 11 8.811 -9.490 -4.622 30 HB2 SER 11 1HB SER 11 10.061 -8.408 -7.151 31 HB3 SER 11 2HB SER 11 10.830 -8.454 -5.564 32 HG SER 11 HG SER 11 11.508 -10.319 -6.323 33 H GLU 12 H GLU 12 7.454 -7.339 -7.022 34 HA GLU 12 HA GLU 12 7.947 -4.909 -5.661 35 HB2 GLU 12 1HB GLU 12 5.800 -5.654 -7.650 36 HB3 GLU 12 2HB GLU 12 6.145 -4.012 -7.124 37 HG2 GLU 12 1HG GLU 12 8.282 -4.040 -8.133 38 HG3 GLU 12 2HG GLU 12 8.206 -5.776 -8.412 39 H THR 13 H THR 13 5.625 -7.418 -5.213 40 HA THR 13 HA THR 13 3.923 -5.782 -3.510 41 HB THR 13 HB THR 13 3.628 -8.733 -4.085 42 HG1 THR 13 HG1 THR 13 3.121 -6.489 -5.695 43 HG21 THR 13 3HG2 THR 13 1.270 -8.307 -3.654 44 HG22 THR 13 1HG2 THR 13 1.594 -6.582 -3.460 45 HG23 THR 13 2HG2 THR 13 2.235 -7.736 -2.292 46 H TYR 14 H TYR 14 6.492 -8.079 -3.291 47 HA TYR 14 HA TYR 14 5.932 -8.811 -0.539 48 HB2 TYR 14 1HB TYR 14 6.698 -10.644 -1.792 49 HB3 TYR 14 2HB TYR 14 7.932 -9.693 -2.607 50 HD1 TYR 14 HD1 TYR 14 7.044 -11.364 0.567 51 HD2 TYR 14 HD2 TYR 14 10.101 -9.442 -1.676 52 HE1 TYR 14 HE1 TYR 14 8.717 -12.129 2.196 53 HE2 TYR 14 HE2 TYR 14 11.778 -10.192 -0.063 54 HH TYR 14 HH TYR 14 11.035 -12.505 2.413 55 H ILE 15 H ILE 15 7.702 -6.428 -2.207 56 HA ILE 15 HA ILE 15 9.915 -6.213 -0.425 57 HB ILE 15 HB ILE 15 9.833 -5.437 -2.856 58 HG12 ILE 15 1HG1 ILE 15 11.310 -3.480 -2.463 59 HG13 ILE 15 2HG1 ILE 15 10.823 -3.481 -0.772 60 HG21 ILE 15 1HG2 ILE 15 7.746 -4.234 -2.822 61 HG22 ILE 15 2HG2 ILE 15 9.055 -3.136 -3.263 62 HG23 ILE 15 3HG2 ILE 15 8.383 -3.098 -1.633 63 HD11 ILE 15 3HD1 ILE 15 12.251 -5.729 -2.169 64 HD12 ILE 15 1HD1 ILE 15 11.838 -5.654 -0.457 65 HD13 ILE 15 2HD1 ILE 15 13.007 -4.521 -1.131 66 H THR 16 H THR 16 10.319 -4.023 0.734 67 HA THR 16 HA THR 16 8.158 -3.639 2.564 68 HB THR 16 HB THR 16 9.795 -1.812 3.454 69 HG1 THR 16 HG1 THR 16 12.017 -2.623 2.778 70 HG21 THR 16 3HG2 THR 16 11.119 -3.515 4.633 71 HG22 THR 16 1HG2 THR 16 10.545 -4.741 3.502 72 HG23 THR 16 2HG2 THR 16 9.410 -3.938 4.591 73 H CYS 17 H CYS 17 7.112 -1.657 2.997 74 HA CYS 17 HA CYS 17 6.145 -0.419 0.697 75 HB2 CYS 17 1HB CYS 17 5.100 1.206 2.280 76 HB3 CYS 17 2HB CYS 17 4.799 -0.486 2.664 77 H ALA 18 H ALA 18 8.578 0.750 3.033 78 HA ALA 18 HA ALA 18 9.037 3.272 1.985 79 HB1 ALA 18 3HB ALA 18 11.079 1.389 3.166 80 HB2 ALA 18 1HB ALA 18 10.043 2.489 4.073 81 HB3 ALA 18 2HB ALA 18 11.266 3.131 2.981 82 H GLU 19 H GLU 19 10.528 0.182 1.030 83 HA GLU 19 HA GLU 19 12.151 1.360 -0.984 84 HB2 GLU 19 1HB GLU 19 11.332 -1.523 -0.640 85 HB3 GLU 19 2HB GLU 19 12.633 -0.939 -1.664 86 HG2 GLU 19 1HG GLU 19 12.510 -0.760 1.338 87 HG3 GLU 19 2HG GLU 19 13.495 -1.876 0.398 88 H ALA 20 H ALA 20 8.870 0.345 -0.843 89 HA ALA 20 HA ALA 20 8.545 -0.062 -3.638 90 HB1 ALA 20 3HB ALA 20 6.144 -0.060 -3.155 91 HB2 ALA 20 1HB ALA 20 6.467 0.519 -1.520 92 HB3 ALA 20 2HB ALA 20 7.019 -1.081 -2.015 93 H ASN 21 H ASN 21 8.198 2.587 -1.392 94 HA ASN 21 HA ASN 21 6.985 4.421 -3.205 95 HB2 ASN 21 1HB ASN 21 8.428 4.804 -0.590 96 HB3 ASN 21 2HB ASN 21 7.876 6.177 -1.544 97 HD21 ASN 21 2HD2 ASN 21 5.673 6.562 -1.762 98 HD22 ASN 21 1HD2 ASN 21 4.503 5.801 -0.737 99 H GLU 22 H GLU 22 10.341 4.087 -2.083 100 HA GLU 22 HA GLU 22 11.432 5.957 -3.823 101 HB2 GLU 22 1HB GLU 22 13.603 4.860 -3.538 102 HB3 GLU 22 2HB GLU 22 12.754 4.983 -2.009 103 HG2 GLU 22 1HG GLU 22 13.295 2.850 -1.739 104 HG3 GLU 22 2HG GLU 22 12.013 2.504 -2.897 105 H MET 23 H MET 23 10.589 2.584 -4.474 106 HA MET 23 HA MET 23 11.649 2.479 -7.074 107 HB2 MET 23 1HB MET 23 10.966 0.472 -5.842 108 HB3 MET 23 2HB MET 23 9.291 0.998 -5.894 109 HG2 MET 23 1HG MET 23 9.204 0.711 -8.266 110 HG3 MET 23 2HG MET 23 10.935 0.397 -8.337 111 HE1 MET 23 3HE MET 23 7.926 -2.483 -6.329 112 HE2 MET 23 1HE MET 23 7.436 -0.997 -7.143 113 HE3 MET 23 2HE MET 23 8.379 -0.919 -5.654 114 H ALA 24 H ALA 24 8.475 3.408 -5.878 115 HA ALA 24 HA ALA 24 7.122 3.974 -8.199 116 HB1 ALA 24 3HB ALA 24 7.029 5.639 -5.685 117 HB2 ALA 24 1HB ALA 24 6.106 4.165 -5.980 118 HB3 ALA 24 2HB ALA 24 5.804 5.605 -6.954 119 H LYS 25 H LYS 25 9.809 5.739 -6.889 120 HA LYS 25 HA LYS 25 9.454 8.133 -8.358 121 HB2 LYS 25 1HB LYS 25 11.998 6.875 -7.319 122 HB3 LYS 25 2HB LYS 25 11.857 8.523 -7.917 123 HG2 LYS 25 1HG LYS 25 10.317 9.068 -6.117 124 HG3 LYS 25 2HG LYS 25 10.393 7.404 -5.534 125 HD2 LYS 25 1HD LYS 25 12.786 7.660 -5.105 126 HD3 LYS 25 2HD LYS 25 12.718 9.316 -5.707 127 HE2 LYS 25 1HE LYS 25 11.170 9.910 -3.915 128 HE3 LYS 25 2HE LYS 25 11.215 8.251 -3.317 129 HZ1 LYS 25 3HZ LYS 25 13.533 10.098 -3.462 130 HZ2 LYS 25 1HZ LYS 25 13.573 8.517 -2.877 131 HZ3 LYS 25 2HZ LYS 25 12.687 9.695 -2.056 132 H THR 26 H THR 26 10.502 4.995 -9.252 133 HA THR 26 HA THR 26 11.412 6.008 -11.862 134 HB THR 26 HB THR 26 12.571 3.880 -12.210 135 HG1 THR 26 HG1 THR 26 11.314 2.422 -11.095 136 HG21 THR 26 3HG2 THR 26 14.290 4.049 -10.470 137 HG22 THR 26 1HG2 THR 26 13.202 5.031 -9.486 138 HG23 THR 26 2HG2 THR 26 13.796 5.646 -11.028 139 H ASP 27 H ASP 27 9.301 3.766 -10.197 140 HA ASP 27 HA ASP 27 7.715 3.453 -12.657 141 HB2 ASP 27 1HB ASP 27 8.420 1.261 -10.694 142 HB3 ASP 27 2HB ASP 27 7.257 1.099 -12.006 143 H SER 28 H SER 28 6.605 5.250 -11.513 144 HA SER 28 HA SER 28 5.345 5.047 -9.068 145 HB2 SER 28 1HB SER 28 5.621 7.134 -10.375 146 HB3 SER 28 2HB SER 28 4.403 6.564 -11.512 147 HG SER 28 HG SER 28 4.110 7.385 -8.839 148 H ALA 29 H ALA 29 4.001 4.294 -12.297 149 HA ALA 29 HA ALA 29 1.423 3.634 -11.465 150 HB1 ALA 29 3HB ALA 29 2.034 4.027 -13.801 151 HB2 ALA 29 1HB ALA 29 1.190 2.491 -13.602 152 HB3 ALA 29 2HB ALA 29 2.940 2.514 -13.817 153 H GLN 30 H GLN 30 4.304 1.621 -11.728 154 HA GLN 30 HA GLN 30 3.138 -0.881 -11.320 155 HB2 GLN 30 1HB GLN 30 5.877 0.176 -10.661 156 HB3 GLN 30 2HB GLN 30 5.431 -1.505 -10.410 157 HG2 GLN 30 1HG GLN 30 5.185 -0.124 -13.064 158 HG3 GLN 30 2HG GLN 30 6.639 -0.979 -12.551 159 HE21 GLN 30 2HE2 GLN 30 5.294 -3.078 -11.156 160 HE22 GLN 30 1HE2 GLN 30 4.542 -4.083 -12.344 161 H VAL 31 H VAL 31 4.203 1.531 -9.005 162 HA VAL 31 HA VAL 31 3.770 -0.217 -6.756 163 HB VAL 31 HB VAL 31 4.330 2.753 -6.798 164 HG11 VAL 31 1HG1 VAL 31 5.040 2.430 -4.471 165 HG12 VAL 31 2HG1 VAL 31 4.542 0.738 -4.559 166 HG13 VAL 31 3HG1 VAL 31 3.338 2.019 -4.692 167 HG21 VAL 31 3HG2 VAL 31 6.097 1.472 -7.877 168 HG22 VAL 31 1HG2 VAL 31 6.200 0.416 -6.469 169 HG23 VAL 31 2HG2 VAL 31 6.645 2.116 -6.330 170 H ALA 32 H ALA 32 2.071 2.351 -8.407 171 HA ALA 32 HA ALA 32 0.152 2.776 -6.329 172 HB1 ALA 32 3HB ALA 32 0.696 4.534 -7.961 173 HB2 ALA 32 1HB ALA 32 -1.029 4.167 -7.924 174 HB3 ALA 32 2HB ALA 32 -0.025 3.554 -9.240 175 H GLU 33 H GLU 33 0.370 0.714 -9.152 176 HA GLU 33 HA GLU 33 -2.383 -0.064 -8.986 177 HB2 GLU 33 1HB GLU 33 -0.088 -1.192 -10.576 178 HB3 GLU 33 2HB GLU 33 -1.726 -1.829 -10.651 179 HG2 GLU 33 1HG GLU 33 -2.469 0.487 -11.302 180 HG3 GLU 33 2HG GLU 33 -0.764 0.892 -11.478 181 H ILE 34 H ILE 34 0.650 -1.325 -7.734 182 HA ILE 34 HA ILE 34 -0.373 -3.879 -7.030 183 HB ILE 34 HB ILE 34 1.998 -2.330 -5.961 184 HG12 ILE 34 1HG1 ILE 34 2.231 -3.074 -8.277 185 HG13 ILE 34 2HG1 ILE 34 3.319 -3.977 -7.231 186 HG21 ILE 34 1HG2 ILE 34 2.732 -4.406 -4.880 187 HG22 ILE 34 2HG2 ILE 34 1.207 -5.170 -5.331 188 HG23 ILE 34 3HG2 ILE 34 1.215 -3.811 -4.207 189 HD11 ILE 34 3HD1 ILE 34 1.722 -5.857 -7.255 190 HD12 ILE 34 1HD1 ILE 34 2.321 -5.443 -8.861 191 HD13 ILE 34 2HD1 ILE 34 0.703 -4.946 -8.372 192 H VAL 35 H VAL 35 0.118 -0.887 -5.183 193 HA VAL 35 HA VAL 35 -1.057 -1.858 -2.810 194 HB VAL 35 HB VAL 35 -1.209 0.483 -2.109 195 HG11 VAL 35 1HG1 VAL 35 0.909 -0.653 -1.861 196 HG12 VAL 35 2HG1 VAL 35 1.179 1.044 -2.259 197 HG13 VAL 35 3HG1 VAL 35 1.374 -0.194 -3.499 198 HG21 VAL 35 3HG2 VAL 35 -1.902 1.509 -4.196 199 HG22 VAL 35 1HG2 VAL 35 -0.337 1.135 -4.918 200 HG23 VAL 35 2HG2 VAL 35 -0.442 2.288 -3.588 201 H ALA 36 H ALA 36 -2.403 -0.659 -5.733 202 HA ALA 36 HA ALA 36 -4.978 0.005 -4.665 203 HB1 ALA 36 3HB ALA 36 -5.653 0.341 -6.958 204 HB2 ALA 36 1HB ALA 36 -4.191 -0.462 -7.534 205 HB3 ALA 36 2HB ALA 36 -4.074 1.081 -6.692 206 H VAL 37 H VAL 37 -3.829 -2.575 -6.851 207 HA VAL 37 HA VAL 37 -6.185 -3.969 -7.124 208 HB VAL 37 HB VAL 37 -3.379 -5.103 -7.080 209 HG11 VAL 37 1HG1 VAL 37 -4.998 -6.888 -6.681 210 HG12 VAL 37 2HG1 VAL 37 -4.308 -7.024 -8.298 211 HG13 VAL 37 3HG1 VAL 37 -5.931 -6.369 -8.085 212 HG21 VAL 37 3HG2 VAL 37 -3.769 -3.411 -8.803 213 HG22 VAL 37 1HG2 VAL 37 -5.186 -4.301 -9.363 214 HG23 VAL 37 2HG2 VAL 37 -3.580 -5.011 -9.520 215 H MET 38 H MET 38 -3.601 -5.016 -4.790 216 HA MET 38 HA MET 38 -5.450 -6.722 -3.498 217 HB2 MET 38 1HB MET 38 -2.947 -7.064 -3.718 218 HB3 MET 38 2HB MET 38 -2.744 -5.822 -2.498 219 HG2 MET 38 1HG MET 38 -4.372 -8.304 -2.011 220 HG3 MET 38 2HG MET 38 -2.636 -8.245 -1.737 221 HE1 MET 38 3HE MET 38 -2.151 -5.352 -0.551 222 HE2 MET 38 1HE MET 38 -1.474 -6.826 0.143 223 HE3 MET 38 2HE MET 38 -2.318 -5.671 1.174 224 H GLY 39 H GLY 39 -4.123 -3.519 -2.821 225 HA2 GLY 39 1HA GLY 39 -4.881 -3.266 -0.151 226 HA3 GLY 39 2HA GLY 39 -4.686 -1.929 -1.271 227 H ASN 40 H ASN 40 -6.656 -1.996 -2.956 228 HA ASN 40 HA ASN 40 -8.900 -1.124 -1.572 229 HB2 ASN 40 1HB ASN 40 -9.808 -0.630 -3.616 230 HB3 ASN 40 2HB ASN 40 -8.163 -0.980 -4.142 231 HD21 ASN 40 2HD2 ASN 40 -7.745 -2.865 -5.241 232 HD22 ASN 40 1HD2 ASN 40 -8.993 -3.829 -5.951 233 H ALA 41 H ALA 41 -8.186 -4.361 -2.750 234 HA ALA 41 HA ALA 41 -10.768 -5.412 -2.113 235 HB1 ALA 41 3HB ALA 41 -8.166 -6.875 -2.560 236 HB2 ALA 41 1HB ALA 41 -9.327 -6.443 -3.816 237 HB3 ALA 41 2HB ALA 41 -9.778 -7.592 -2.557 238 H SER 42 H SER 42 -7.642 -5.311 -0.534 239 HA SER 42 HA SER 42 -8.163 -6.926 1.674 240 HB2 SER 42 1HB SER 42 -5.911 -6.104 1.088 241 HB3 SER 42 2HB SER 42 -6.389 -4.470 1.544 242 HG SER 42 HG SER 42 -5.573 -5.108 3.394 243 H VAL 43 H VAL 43 -8.508 -3.370 1.398 244 HA VAL 43 HA VAL 43 -9.595 -3.060 3.988 245 HB VAL 43 HB VAL 43 -10.269 -0.808 3.303 246 HG11 VAL 43 1HG1 VAL 43 -8.074 0.051 2.585 247 HG12 VAL 43 2HG1 VAL 43 -7.561 -1.603 2.255 248 HG13 VAL 43 3HG1 VAL 43 -7.959 -1.116 3.901 249 HG21 VAL 43 3HG2 VAL 43 -11.117 -1.310 1.073 250 HG22 VAL 43 1HG2 VAL 43 -9.479 -1.647 0.513 251 HG23 VAL 43 2HG2 VAL 43 -9.923 -0.013 1.012 252 H ALA 44 H ALA 44 -11.050 -3.793 0.882 253 HA ALA 44 HA ALA 44 -13.715 -3.378 1.771 254 HB1 ALA 44 3HB ALA 44 -13.057 -3.152 -0.576 255 HB2 ALA 44 1HB ALA 44 -14.329 -4.355 -0.369 256 HB3 ALA 44 2HB ALA 44 -12.660 -4.866 -0.628 257 H SER 45 H SER 45 -11.461 -5.749 2.455 258 HA SER 45 HA SER 45 -13.332 -7.967 2.369 259 HB2 SER 45 1HB SER 45 -10.916 -8.272 1.764 260 HB3 SER 45 2HB SER 45 -10.494 -7.920 3.438 261 HG SER 45 HG SER 45 -11.147 -9.847 4.025 262 H ARG 46 H ARG 46 -11.822 -5.827 4.676 263 HA ARG 46 HA ARG 46 -12.893 -7.273 6.946 264 HB2 ARG 46 1HB ARG 46 -10.715 -6.305 7.186 265 HB3 ARG 46 2HB ARG 46 -11.302 -4.730 6.677 266 HG2 ARG 46 1HG ARG 46 -12.781 -4.785 8.731 267 HG3 ARG 46 2HG ARG 46 -11.811 -6.162 9.257 268 HD2 ARG 46 1HD ARG 46 -9.873 -4.887 9.419 269 HD3 ARG 46 2HD ARG 46 -10.523 -3.599 8.405 270 HE ARG 46 HE ARG 46 -10.897 -3.953 11.231 271 HH11 ARG 46 1HH1 ARG 46 -12.190 -2.502 8.281 272 HH12 ARG 46 2HH1 ARG 46 -13.049 -1.269 9.114 273 HH21 ARG 46 1HH2 ARG 46 -12.054 -2.301 12.342 274 HH22 ARG 46 2HH2 ARG 46 -12.968 -1.142 11.447 275 H ASP 47 H ASP 47 -13.744 -4.584 4.952 276 HA ASP 47 HA ASP 47 -15.845 -3.811 6.842 277 HB2 ASP 47 1HB ASP 47 -14.564 -2.389 4.544 278 HB3 ASP 47 2HB ASP 47 -16.145 -1.881 5.130 279 H LEU 48 H LEU 48 -15.387 -4.921 3.544 280 HA LEU 48 HA LEU 48 -16.790 -5.842 2.019 281 HB2 LEU 48 1HB LEU 48 -18.664 -6.156 4.371 282 HB3 LEU 48 2HB LEU 48 -18.892 -6.900 2.803 283 HG LEU 48 HG LEU 48 -16.588 -7.470 4.674 284 HD11 LEU 48 1HD1 LEU 48 -19.037 -9.104 4.028 285 HD12 LEU 48 2HD1 LEU 48 -18.696 -8.300 5.560 286 HD13 LEU 48 3HD1 LEU 48 -17.675 -9.630 5.015 287 HD21 LEU 48 3HD2 LEU 48 -16.124 -9.333 3.142 288 HD22 LEU 48 1HD2 LEU 48 -15.976 -7.771 2.335 289 HD23 LEU 48 2HD2 LEU 48 -17.408 -8.767 2.074 290 H LYS 49 H LYS 49 -17.079 -2.930 3.097 291 HA LYS 49 HA LYS 49 -19.398 -2.313 1.416 292 HB2 LYS 49 1HB LYS 49 -19.970 -0.452 3.003 293 HB3 LYS 49 2HB LYS 49 -20.265 -2.070 3.613 294 HG2 LYS 49 1HG LYS 49 -18.232 -1.963 4.946 295 HG3 LYS 49 2HG LYS 49 -17.876 -0.358 4.296 296 HD2 LYS 49 1HD LYS 49 -19.826 0.563 5.335 297 HD3 LYS 49 2HD LYS 49 -20.397 -1.036 5.805 298 HE2 LYS 49 1HE LYS 49 -19.448 0.110 7.719 299 HE3 LYS 49 2HE LYS 49 -18.456 -1.279 7.286 300 HZ1 LYS 49 3HZ LYS 49 -17.301 0.895 7.833 301 HZ2 LYS 49 1HZ LYS 49 -17.799 1.435 6.318 302 HZ3 LYS 49 2HZ LYS 49 -16.778 0.085 6.458 303 H ILE 50 H ILE 50 -16.311 -2.160 1.359 304 HA ILE 50 HA ILE 50 -16.100 0.688 0.705 305 HB ILE 50 HB ILE 50 -13.890 -1.343 1.188 306 HG12 ILE 50 1HG1 ILE 50 -14.801 1.066 2.782 307 HG13 ILE 50 2HG1 ILE 50 -15.058 -0.618 3.223 308 HG21 ILE 50 1HG2 ILE 50 -13.209 0.262 -0.513 309 HG22 ILE 50 2HG2 ILE 50 -12.347 0.557 0.997 310 HG23 ILE 50 3HG2 ILE 50 -13.692 1.597 0.533 311 HD11 ILE 50 3HD1 ILE 50 -12.391 0.760 2.990 312 HD12 ILE 50 1HD1 ILE 50 -12.647 -0.925 3.442 313 HD13 ILE 50 2HD1 ILE 50 -13.234 0.366 4.488 314 H GLU 51 H GLU 51 -15.606 1.354 -1.293 315 HA GLU 51 HA GLU 51 -15.727 -0.682 -3.413 316 HB2 GLU 51 1HB GLU 51 -16.422 2.255 -3.511 317 HB3 GLU 51 2HB GLU 51 -16.500 1.153 -4.879 318 HG2 GLU 51 1HG GLU 51 -18.206 -0.147 -3.765 319 HG3 GLU 51 2HG GLU 51 -18.096 0.900 -2.348 320 H GLN 52 H GLN 52 -14.409 -0.423 -5.279 321 HA GLN 52 HA GLN 52 -11.770 0.419 -4.689 322 HB2 GLN 52 1HB GLN 52 -11.329 -0.079 -7.126 323 HB3 GLN 52 2HB GLN 52 -11.987 -1.413 -6.194 324 HG2 GLN 52 1HG GLN 52 -14.184 -1.020 -7.134 325 HG3 GLN 52 2HG GLN 52 -13.577 0.379 -8.015 326 HE21 GLN 52 2HE2 GLN 52 -14.170 -0.502 -9.981 327 HE22 GLN 52 1HE2 GLN 52 -13.302 -1.811 -10.708 328 H SER 53 H SER 53 -11.798 2.520 -4.171 329 HA SER 53 HA SER 53 -12.524 4.398 -6.291 330 HB2 SER 53 1HB SER 53 -12.474 6.088 -4.330 331 HB3 SER 53 2HB SER 53 -13.837 4.976 -4.445 332 HG SER 53 HG SER 53 -12.908 3.707 -2.853 333 HA PRO 54 HA PRO 54 -8.191 5.006 -7.103 334 HB2 PRO 54 1HB PRO 54 -9.263 7.651 -7.978 335 HB3 PRO 54 2HB PRO 54 -8.183 6.537 -8.825 336 HG2 PRO 54 1HG PRO 54 -10.737 6.701 -9.512 337 HG3 PRO 54 2HG PRO 54 -9.914 5.133 -9.461 338 HD2 PRO 54 1HD PRO 54 -11.876 6.306 -7.547 339 HD3 PRO 54 2HD PRO 54 -11.650 4.619 -8.050 340 H GLU 55 H GLU 55 -10.156 7.188 -5.202 341 HA GLU 55 HA GLU 55 -8.047 8.904 -4.383 342 HB2 GLU 55 1HB GLU 55 -10.739 8.350 -3.139 343 HB3 GLU 55 2HB GLU 55 -9.619 9.568 -2.541 344 HG2 GLU 55 1HG GLU 55 -9.690 10.646 -4.776 345 HG3 GLU 55 2HG GLU 55 -10.935 9.491 -5.244 346 H LEU 56 H LEU 56 -9.129 5.787 -3.324 347 HA LEU 56 HA LEU 56 -7.684 5.854 -0.843 348 HB2 LEU 56 1HB LEU 56 -8.785 3.539 -2.444 349 HB3 LEU 56 2HB LEU 56 -8.056 3.389 -0.854 350 HG LEU 56 HG LEU 56 -10.598 4.884 -1.504 351 HD11 LEU 56 1HD1 LEU 56 -10.127 2.298 -0.032 352 HD12 LEU 56 2HD1 LEU 56 -10.861 2.472 -1.625 353 HD13 LEU 56 3HD1 LEU 56 -11.678 3.118 -0.203 354 HD21 LEU 56 3HD2 LEU 56 -9.217 4.405 1.138 355 HD22 LEU 56 1HD2 LEU 56 -10.823 5.108 0.936 356 HD23 LEU 56 2HD2 LEU 56 -9.405 5.958 0.323 357 H SER 57 H SER 57 -7.205 4.345 -4.026 358 HA SER 57 HA SER 57 -4.664 3.293 -3.580 359 HB2 SER 57 1HB SER 57 -5.791 4.234 -6.212 360 HB3 SER 57 2HB SER 57 -4.619 2.943 -5.941 361 HG SER 57 HG SER 57 -6.919 2.316 -6.265 362 H ALA 58 H ALA 58 -5.431 6.463 -3.496 363 HA ALA 58 HA ALA 58 -2.957 7.400 -4.761 364 HB1 ALA 58 3HB ALA 58 -3.936 9.643 -4.651 365 HB2 ALA 58 1HB ALA 58 -5.366 8.983 -3.857 366 HB3 ALA 58 2HB ALA 58 -4.993 8.532 -5.521 367 H LYS 59 H LYS 59 -4.787 7.298 -1.779 368 HA LYS 59 HA LYS 59 -2.712 8.782 -0.356 369 HB2 LYS 59 1HB LYS 59 -5.404 7.773 0.572 370 HB3 LYS 59 2HB LYS 59 -4.268 8.652 1.586 371 HG2 LYS 59 1HG LYS 59 -4.411 10.539 -0.060 372 HG3 LYS 59 2HG LYS 59 -5.725 9.663 -0.842 373 HD2 LYS 59 1HD LYS 59 -5.710 10.483 2.063 374 HD3 LYS 59 2HD LYS 59 -6.489 11.400 0.777 375 HE2 LYS 59 1HE LYS 59 -7.147 8.546 1.511 376 HE3 LYS 59 2HE LYS 59 -8.054 9.960 2.045 377 HZ1 LYS 59 3HZ LYS 59 -9.118 8.965 0.157 378 HZ2 LYS 59 1HZ LYS 59 -7.706 9.064 -0.768 379 HZ3 LYS 59 2HZ LYS 59 -8.508 10.470 -0.291 380 H VAL 60 H VAL 60 -3.846 5.570 -0.846 381 HA VAL 60 HA VAL 60 -2.917 4.353 1.508 382 HB VAL 60 HB VAL 60 -4.499 3.328 -0.167 383 HG11 VAL 60 1HG1 VAL 60 -3.572 2.069 -2.035 384 HG12 VAL 60 2HG1 VAL 60 -1.967 2.699 -1.665 385 HG13 VAL 60 3HG1 VAL 60 -3.244 3.795 -2.190 386 HG21 VAL 60 3HG2 VAL 60 -3.595 1.995 1.647 387 HG22 VAL 60 1HG2 VAL 60 -2.145 1.651 0.703 388 HG23 VAL 60 2HG2 VAL 60 -3.706 1.019 0.182 389 H VAL 61 H VAL 61 -1.194 5.521 -1.230 390 HA VAL 61 HA VAL 61 1.201 4.032 -0.404 391 HB VAL 61 HB VAL 61 0.568 3.983 -2.831 392 HG11 VAL 61 1HG1 VAL 61 1.306 6.901 -2.765 393 HG12 VAL 61 2HG1 VAL 61 -0.293 6.227 -3.079 394 HG13 VAL 61 3HG1 VAL 61 1.021 5.949 -4.222 395 HG21 VAL 61 3HG2 VAL 61 2.859 3.506 -2.163 396 HG22 VAL 61 1HG2 VAL 61 3.247 5.226 -2.193 397 HG23 VAL 61 2HG2 VAL 61 2.844 4.386 -3.690 398 H GLU 62 H GLU 62 -0.279 7.030 -0.187 399 HA GLU 62 HA GLU 62 2.127 8.630 0.043 400 HB2 GLU 62 1HB GLU 62 0.118 9.645 -0.918 401 HB3 GLU 62 2HB GLU 62 -0.752 9.379 0.586 402 HG2 GLU 62 1HG GLU 62 0.756 10.899 1.745 403 HG3 GLU 62 2HG GLU 62 1.663 11.149 0.255 404 H LYS 63 H LYS 63 -0.551 7.885 2.293 405 HA LYS 63 HA LYS 63 0.953 8.795 4.555 406 HB2 LYS 63 1HB LYS 63 -1.580 7.145 4.435 407 HB3 LYS 63 2HB LYS 63 -0.920 7.885 5.889 408 HG2 LYS 63 1HG LYS 63 -1.186 10.102 4.856 409 HG3 LYS 63 2HG LYS 63 -1.907 9.334 3.441 410 HD2 LYS 63 1HD LYS 63 -3.714 8.457 4.845 411 HD3 LYS 63 2HD LYS 63 -2.986 9.228 6.258 412 HE2 LYS 63 1HE LYS 63 -3.245 11.418 5.168 413 HE3 LYS 63 2HE LYS 63 -4.017 10.631 3.796 414 HZ1 LYS 63 3HZ LYS 63 -5.771 9.874 5.299 415 HZ2 LYS 63 1HZ LYS 63 -5.650 11.561 5.280 416 HZ3 LYS 63 2HZ LYS 63 -5.032 10.683 6.584 417 H LEU 64 H LEU 64 0.678 5.953 2.823 418 HA LEU 64 HA LEU 64 1.404 3.949 4.618 419 HB2 LEU 64 1HB LEU 64 0.675 3.546 2.358 420 HB3 LEU 64 2HB LEU 64 2.150 4.261 1.717 421 HG LEU 64 HG LEU 64 3.309 2.346 3.041 422 HD11 LEU 64 1HD1 LEU 64 0.495 1.318 2.780 423 HD12 LEU 64 2HD1 LEU 64 1.366 1.632 4.282 424 HD13 LEU 64 3HD1 LEU 64 1.901 0.344 3.200 425 HD21 LEU 64 3HD2 LEU 64 1.679 1.813 0.558 426 HD22 LEU 64 1HD2 LEU 64 3.063 0.867 1.107 427 HD23 LEU 64 2HD2 LEU 64 3.285 2.544 0.608 428 H ASN 65 H ASN 65 3.563 5.846 2.461 429 HA ASN 65 HA ASN 65 5.936 4.803 3.456 430 HB2 ASN 65 1HB ASN 65 7.106 6.578 2.314 431 HB3 ASN 65 2HB ASN 65 5.772 6.028 1.317 432 HD21 ASN 65 2HD2 ASN 65 5.579 7.844 0.112 433 HD22 ASN 65 1HD2 ASN 65 5.056 9.366 0.736 434 H GLN 66 H GLN 66 3.860 7.101 4.885 435 HA GLN 66 HA GLN 66 5.742 8.400 6.547 436 HB2 GLN 66 1HB GLN 66 3.097 8.751 6.036 437 HB3 GLN 66 2HB GLN 66 3.013 7.960 7.603 438 HG2 GLN 66 1HG GLN 66 3.004 10.372 7.831 439 HG3 GLN 66 2HG GLN 66 4.449 9.668 8.560 440 HE21 GLN 66 2HE2 GLN 66 4.036 9.998 5.113 441 HE22 GLN 66 1HE2 GLN 66 5.235 11.210 4.882 442 H VAL 67 H VAL 67 3.610 5.638 6.973 443 HA VAL 67 HA VAL 67 4.396 4.834 9.522 444 HB VAL 67 HB VAL 67 3.684 2.948 7.266 445 HG11 VAL 67 1HG1 VAL 67 3.305 2.722 10.249 446 HG12 VAL 67 2HG1 VAL 67 4.497 1.854 9.280 447 HG13 VAL 67 3HG1 VAL 67 2.775 1.540 9.050 448 HG21 VAL 67 3HG2 VAL 67 2.019 4.706 7.329 449 HG22 VAL 67 1HG2 VAL 67 1.835 4.505 9.072 450 HG23 VAL 67 2HG2 VAL 67 1.337 3.217 7.978 451 H CYS 68 H CYS 68 5.689 3.837 6.341 452 HA CYS 68 HA CYS 68 7.694 2.125 7.229 453 HB2 CYS 68 1HB CYS 68 8.137 3.861 4.848 454 HB3 CYS 68 2HB CYS 68 8.436 2.138 5.061 455 H ALA 69 H ALA 69 7.758 5.601 6.674 456 HA ALA 69 HA ALA 69 10.466 6.081 7.152 457 HB1 ALA 69 3HB ALA 69 8.915 7.784 6.290 458 HB2 ALA 69 1HB ALA 69 9.839 8.376 7.670 459 HB3 ALA 69 2HB ALA 69 8.158 7.887 7.879 460 H LYS 70 H LYS 70 7.858 5.448 9.371 461 HA LYS 70 HA LYS 70 9.407 6.136 11.721 462 HB2 LYS 70 1HB LYS 70 6.735 4.732 11.547 463 HB3 LYS 70 2HB LYS 70 7.440 5.477 12.972 464 HG2 LYS 70 1HG LYS 70 7.225 7.670 11.976 465 HG3 LYS 70 2HG LYS 70 6.615 6.953 10.484 466 HD2 LYS 70 1HD LYS 70 4.717 6.005 11.791 467 HD3 LYS 70 2HD LYS 70 5.300 6.895 13.199 468 HE2 LYS 70 1HE LYS 70 5.048 8.999 11.946 469 HE3 LYS 70 2HE LYS 70 4.424 8.090 10.572 470 HZ1 LYS 70 3HZ LYS 70 3.179 8.246 13.263 471 HZ2 LYS 70 1HZ LYS 70 2.583 7.344 11.966 472 HZ3 LYS 70 2HZ LYS 70 2.630 9.030 11.874 473 H ASP 71 H ASP 71 8.683 3.272 9.795 474 HA ASP 71 HA ASP 71 10.384 1.636 11.429 475 HB2 ASP 71 1HB ASP 71 7.433 1.050 11.048 476 HB3 ASP 71 2HB ASP 71 8.602 -0.210 11.410 477 HA PRO 72 HA PRO 72 10.877 0.976 6.937 478 HB2 PRO 72 1HB PRO 72 13.472 -0.168 7.691 479 HB3 PRO 72 2HB PRO 72 13.126 1.233 6.673 480 HG2 PRO 72 1HG PRO 72 14.216 1.497 9.117 481 HG3 PRO 72 2HG PRO 72 13.077 2.690 8.464 482 HD2 PRO 72 1HD PRO 72 12.573 0.458 10.401 483 HD3 PRO 72 2HD PRO 72 12.030 2.145 10.478 484 H GLN 73 H GLN 73 10.962 -1.192 9.550 485 HA GLN 73 HA GLN 73 11.386 -3.586 8.034 486 HB2 GLN 73 1HB GLN 73 11.862 -3.177 10.532 487 HB3 GLN 73 2HB GLN 73 10.148 -3.472 10.769 488 HG2 GLN 73 1HG GLN 73 11.406 -5.485 11.181 489 HG3 GLN 73 2HG GLN 73 10.395 -5.686 9.750 490 HE21 GLN 73 2HE2 GLN 73 13.354 -3.822 9.772 491 HE22 GLN 73 1HE2 GLN 73 14.268 -4.900 8.774 492 H MET 74 H MET 74 8.867 -1.540 8.015 493 HA MET 74 HA MET 74 6.694 -3.417 8.141 494 HB2 MET 74 1HB MET 74 6.839 -0.541 7.246 495 HB3 MET 74 2HB MET 74 5.358 -1.480 7.219 496 HG2 MET 74 1HG MET 74 6.996 -0.930 9.682 497 HG3 MET 74 2HG MET 74 5.576 -0.011 9.192 498 HE1 MET 74 3HE MET 74 3.609 -2.246 8.080 499 HE2 MET 74 1HE MET 74 3.120 -0.956 9.179 500 HE3 MET 74 2HE MET 74 2.703 -2.629 9.541 501 H LEU 75 H LEU 75 6.529 -4.924 6.615 502 HA LEU 75 HA LEU 75 7.438 -4.576 3.952 503 HB2 LEU 75 1HB LEU 75 5.680 -6.654 5.240 504 HB3 LEU 75 2HB LEU 75 6.031 -6.673 3.525 505 HG LEU 75 HG LEU 75 8.493 -6.776 4.171 506 HD11 LEU 75 1HD1 LEU 75 9.007 -7.671 6.379 507 HD12 LEU 75 2HD1 LEU 75 7.315 -7.500 6.847 508 HD13 LEU 75 3HD1 LEU 75 8.279 -6.068 6.487 509 HD21 LEU 75 3HD2 LEU 75 6.682 -9.072 4.905 510 HD22 LEU 75 1HD2 LEU 75 8.404 -9.194 4.542 511 HD23 LEU 75 2HD2 LEU 75 7.272 -8.682 3.290 512 H LEU 76 H LEU 76 6.020 -4.645 2.019 513 HA LEU 76 HA LEU 76 4.185 -2.558 2.052 514 HB2 LEU 76 1HB LEU 76 5.348 -3.467 0.044 515 HB3 LEU 76 2HB LEU 76 4.250 -4.837 0.080 516 HG LEU 76 HG LEU 76 2.351 -3.272 -0.254 517 HD11 LEU 76 1HD1 LEU 76 3.333 -1.258 0.664 518 HD12 LEU 76 2HD1 LEU 76 2.833 -0.988 -1.005 519 HD13 LEU 76 3HD1 LEU 76 4.537 -1.233 -0.624 520 HD21 LEU 76 3HD2 LEU 76 2.823 -2.815 -2.616 521 HD22 LEU 76 1HD2 LEU 76 3.318 -4.438 -2.141 522 HD23 LEU 76 2HD2 LEU 76 4.528 -3.170 -2.334 523 H ILE 77 H ILE 77 3.593 -6.049 2.079 524 HA ILE 77 HA ILE 77 0.814 -6.005 2.026 525 HB ILE 77 HB ILE 77 2.619 -8.001 3.408 526 HG12 ILE 77 1HG1 ILE 77 3.082 -7.759 1.005 527 HG13 ILE 77 2HG1 ILE 77 2.366 -9.327 1.360 528 HG21 ILE 77 1HG2 ILE 77 0.365 -8.210 4.253 529 HG22 ILE 77 2HG2 ILE 77 0.728 -9.564 3.183 530 HG23 ILE 77 3HG2 ILE 77 -0.279 -8.236 2.611 531 HD11 ILE 77 3HD1 ILE 77 0.997 -6.943 0.128 532 HD12 ILE 77 1HD1 ILE 77 0.179 -8.432 0.608 533 HD13 ILE 77 2HD1 ILE 77 1.406 -8.472 -0.652 534 H THR 78 H THR 78 2.937 -6.109 4.894 535 HA THR 78 HA THR 78 0.812 -6.078 6.761 536 HB THR 78 HB THR 78 2.548 -5.387 8.433 537 HG1 THR 78 HG1 THR 78 4.344 -4.577 7.730 538 HG21 THR 78 3HG2 THR 78 3.864 -7.459 8.278 539 HG22 THR 78 1HG2 THR 78 3.288 -7.689 6.627 540 HG23 THR 78 2HG2 THR 78 2.149 -7.748 7.974 541 H ALA 79 H ALA 79 2.909 -3.524 5.525 542 HA ALA 79 HA ALA 79 1.818 -1.373 6.868 543 HB1 ALA 79 3HB ALA 79 2.753 0.030 5.136 544 HB2 ALA 79 1HB ALA 79 2.886 -1.357 4.054 545 HB3 ALA 79 2HB ALA 79 3.862 -1.285 5.519 546 H ILE 80 H ILE 80 0.685 -2.802 3.787 547 HA ILE 80 HA ILE 80 -1.391 -0.908 3.400 548 HB ILE 80 HB ILE 80 -1.206 -3.761 2.368 549 HG12 ILE 80 1HG1 ILE 80 -0.585 -1.118 1.026 550 HG13 ILE 80 2HG1 ILE 80 0.612 -2.267 1.614 551 HG21 ILE 80 1HG2 ILE 80 -3.053 -1.516 1.542 552 HG22 ILE 80 2HG2 ILE 80 -3.524 -3.027 2.320 553 HG23 ILE 80 3HG2 ILE 80 -2.871 -3.041 0.680 554 HD11 ILE 80 3HD1 ILE 80 0.338 -2.431 -0.793 555 HD12 ILE 80 1HD1 ILE 80 -1.383 -2.759 -0.588 556 HD13 ILE 80 2HD1 ILE 80 -0.187 -3.917 -0.004 557 H ASP 81 H ASP 81 -1.312 -4.097 4.979 558 HA ASP 81 HA ASP 81 -4.003 -4.236 5.770 559 HB2 ASP 81 1HB ASP 81 -1.455 -5.401 6.813 560 HB3 ASP 81 2HB ASP 81 -2.858 -5.448 7.867 561 H ASP 82 H ASP 82 -1.224 -2.663 7.215 562 HA ASP 82 HA ASP 82 -2.509 -1.856 9.599 563 HB2 ASP 82 1HB ASP 82 -0.003 -2.026 9.156 564 HB3 ASP 82 2HB ASP 82 -0.147 -0.459 8.363 565 H THR 83 H THR 83 -2.078 -0.287 6.438 566 HA THR 83 HA THR 83 -3.158 2.199 7.154 567 HB THR 83 HB THR 83 -3.273 0.817 4.453 568 HG1 THR 83 HG1 THR 83 -1.111 1.004 5.274 569 HG21 THR 83 3HG2 THR 83 -3.382 3.748 5.204 570 HG22 THR 83 1HG2 THR 83 -4.733 2.784 4.607 571 HG23 THR 83 2HG2 THR 83 -3.353 3.112 3.559 572 H MET 84 H MET 84 -4.574 -0.878 6.195 573 HA MET 84 HA MET 84 -7.240 0.011 5.884 574 HB2 MET 84 1HB MET 84 -6.578 -2.193 5.070 575 HB3 MET 84 2HB MET 84 -6.194 -2.710 6.707 576 HG2 MET 84 1HG MET 84 -8.607 -2.321 7.278 577 HG3 MET 84 2HG MET 84 -8.897 -2.093 5.557 578 HE1 MET 84 3HE MET 84 -6.454 -4.629 7.403 579 HE2 MET 84 1HE MET 84 -7.545 -6.003 7.571 580 HE3 MET 84 2HE MET 84 -7.900 -4.487 8.402 581 H ARG 85 H ARG 85 -5.350 -1.033 8.690 582 HA ARG 85 HA ARG 85 -7.417 -1.148 10.578 583 HB2 ARG 85 1HB ARG 85 -4.569 -0.236 11.047 584 HB3 ARG 85 2HB ARG 85 -5.680 -0.853 12.260 585 HG2 ARG 85 1HG ARG 85 -5.627 -3.043 11.276 586 HG3 ARG 85 2HG ARG 85 -4.667 -2.450 9.919 587 HD2 ARG 85 1HD ARG 85 -3.177 -3.545 11.420 588 HD3 ARG 85 2HD ARG 85 -2.892 -1.812 11.564 589 HE ARG 85 HE ARG 85 -4.748 -2.905 13.480 590 HH11 ARG 85 1HH1 ARG 85 -1.405 -2.012 12.804 591 HH12 ARG 85 2HH1 ARG 85 -0.930 -2.078 14.470 592 HH21 ARG 85 1HH2 ARG 85 -4.101 -2.967 15.688 593 HH22 ARG 85 2HH2 ARG 85 -2.464 -2.612 16.111 594 H ALA 86 H ALA 86 -5.347 1.525 9.544 595 HA ALA 86 HA ALA 86 -6.407 3.523 11.174 596 HB1 ALA 86 3HB ALA 86 -5.477 5.110 9.573 597 HB2 ALA 86 1HB ALA 86 -5.296 3.820 8.383 598 HB3 ALA 86 2HB ALA 86 -4.347 3.789 9.870 599 H ILE 87 H ILE 87 -7.383 2.523 7.876 600 HA ILE 87 HA ILE 87 -9.511 4.370 7.623 601 HB ILE 87 HB ILE 87 -9.208 1.641 6.340 602 HG12 ILE 87 1HG1 ILE 87 -8.448 4.375 5.290 603 HG13 ILE 87 2HG1 ILE 87 -7.315 3.176 5.908 604 HG21 ILE 87 1HG2 ILE 87 -11.500 2.437 6.188 605 HG22 ILE 87 2HG2 ILE 87 -10.723 2.510 4.605 606 HG23 ILE 87 3HG2 ILE 87 -10.941 3.983 5.550 607 HD11 ILE 87 3HD1 ILE 87 -7.943 1.656 4.123 608 HD12 ILE 87 1HD1 ILE 87 -7.368 3.195 3.479 609 HD13 ILE 87 2HD1 ILE 87 -9.098 2.839 3.512 610 H GLY 88 H GLY 88 -9.273 1.179 9.003 611 HA2 GLY 88 1HA GLY 88 -11.992 0.597 9.400 612 HA3 GLY 88 2HA GLY 88 -10.666 -0.076 10.322 613 H LYS 89 H LYS 89 -10.440 3.159 10.647 614 HA LYS 89 HA LYS 89 -12.078 3.158 13.095 615 HB2 LYS 89 1HB LYS 89 -9.498 4.643 12.575 616 HB3 LYS 89 2HB LYS 89 -10.481 4.794 14.027 617 HG2 LYS 89 1HG LYS 89 -10.116 2.404 14.488 618 HG3 LYS 89 2HG LYS 89 -9.063 2.320 13.073 619 HD2 LYS 89 1HD LYS 89 -7.615 4.034 14.088 620 HD3 LYS 89 2HD LYS 89 -8.651 4.035 15.516 621 HE2 LYS 89 1HE LYS 89 -6.692 2.653 15.886 622 HE3 LYS 89 2HE LYS 89 -8.154 1.669 15.873 623 HZ1 LYS 89 3HZ LYS 89 -6.324 2.001 13.566 624 HZ2 LYS 89 1HZ LYS 89 -7.670 0.975 13.644 625 HZ3 LYS 89 2HZ LYS 89 -6.319 0.677 14.617 626 H LYS 90 H LYS 90 -13.787 4.378 12.883 627 HA LYS 90 HA LYS 90 -13.956 6.377 10.819 628 HB2 LYS 90 1HB LYS 90 -15.954 5.660 12.968 629 HB3 LYS 90 2HB LYS 90 -16.273 6.613 11.526 630 HG2 LYS 90 1HG LYS 90 -15.843 4.671 10.132 631 HG3 LYS 90 2HG LYS 90 -15.468 3.715 11.566 632 HD2 LYS 90 1HD LYS 90 -17.754 4.127 12.398 633 HD3 LYS 90 2HD LYS 90 -18.117 4.998 10.908 634 HE2 LYS 90 1HE LYS 90 -17.646 2.972 9.619 635 HE3 LYS 90 2HE LYS 90 -17.289 2.107 11.113 636 HZ1 LYS 90 3HZ LYS 90 -19.901 3.274 10.334 637 HZ2 LYS 90 1HZ LYS 90 -19.580 2.541 11.823 638 HZ3 LYS 90 2HZ LYS 90 -19.511 1.636 10.404
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