NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570912 | 2mhn | 19642 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -16.433 16.295 -4.922 2 HA2 GLY 1 1HA GLY 1 -14.560 16.264 -6.511 3 HA3 GLY 1 2HA GLY 1 -15.534 17.738 -6.658 4 H HIS 2 H HIS 2 -12.493 16.999 -6.974 5 HA HIS 2 HA HIS 2 -11.140 18.939 -5.280 6 HB3 HIS 2 2HB HIS 2 -9.768 17.257 -6.122 7 HD1 HIS 2 1HD HIS 2 -9.475 15.217 -7.696 8 HD2 HIS 2 2HD HIS 2 -11.602 18.421 -9.420 9 HE1 HIS 2 1HE HIS 2 -10.557 14.313 -9.820 10 H MET 3 H MET 3 -9.934 20.713 -6.509 11 HA MET 3 HA MET 3 -11.253 21.654 -8.954 12 HB3 MET 3 2HB MET 3 -10.403 24.045 -8.215 13 HG3 MET 3 2HG MET 3 -12.592 24.671 -7.412 14 HE1 MET 3 3HE MET 3 -12.110 25.488 -10.014 15 HE2 MET 3 1HE MET 3 -11.126 24.064 -10.430 16 HE3 MET 3 2HE MET 3 -12.525 24.491 -11.425 17 H ASN 4 H ASN 4 -8.405 22.318 -6.796 18 HA ASN 4 HA ASN 4 -6.702 21.338 -9.014 19 HB3 ASN 4 2HB ASN 4 -5.639 23.358 -7.045 20 HD21 ASN 4 1HD2 ASN 4 -3.392 23.405 -7.638 21 HD22 ASN 4 2HD2 ASN 4 -2.899 23.282 -9.311 22 H LEU 5 H LEU 5 -4.598 20.562 -8.155 23 HA LEU 5 HA LEU 5 -4.982 18.649 -6.006 24 HB3 LEU 5 2HB LEU 5 -2.273 19.067 -7.214 25 HG LEU 5 HG LEU 5 -2.571 16.797 -8.172 26 HD11 LEU 5 1HD1 LEU 5 -2.993 16.883 -5.192 27 HD12 LEU 5 2HD1 LEU 5 -1.442 17.107 -6.021 28 HD13 LEU 5 3HD1 LEU 5 -2.277 15.544 -6.110 29 HD21 LEU 5 3HD2 LEU 5 -5.089 16.853 -8.237 30 HD22 LEU 5 1HD2 LEU 5 -5.096 16.507 -6.498 31 HD23 LEU 5 2HD2 LEU 5 -4.384 15.347 -7.652 32 H THR 6 H THR 6 -3.216 18.456 -4.249 33 HA THR 6 HA THR 6 -1.858 21.016 -3.636 34 HB THR 6 HB THR 6 -3.207 21.185 -1.904 35 HG1 THR 6 1HG THR 6 -2.292 20.596 -0.099 36 HG21 THR 6 3HG2 THR 6 -4.383 19.590 -0.597 37 HG22 THR 6 1HG2 THR 6 -3.578 18.234 -1.377 38 HG23 THR 6 2HG2 THR 6 -4.721 19.258 -2.290 39 HA PRO 7 HA PRO 7 1.927 18.693 -3.485 40 HB3 PRO 7 2HB PRO 7 3.167 20.485 -2.845 41 HG3 PRO 7 2HG PRO 7 2.154 22.247 -1.535 42 HD3 PRO 7 2HD PRO 7 0.763 21.797 -3.420 43 H GLU 8 H GLU 8 -0.023 19.089 -0.527 44 HA GLU 8 HA GLU 8 1.145 16.892 0.946 45 HB3 GLU 8 2HB GLU 8 -0.728 17.392 2.490 46 HG3 GLU 8 2HG GLU 8 0.755 19.807 1.393 47 H GLU 9 H GLU 9 -1.311 17.174 -1.490 48 HA GLU 9 HA GLU 9 -2.804 14.764 -0.836 49 HB3 GLU 9 2HB GLU 9 -2.886 15.242 -3.628 50 HG3 GLU 9 2HG GLU 9 -4.829 16.187 -1.488 51 H ARG 10 H ARG 10 0.210 15.577 -2.561 52 HA ARG 10 HA ARG 10 0.343 12.961 -3.832 53 HB3 ARG 10 2HB ARG 10 2.979 13.825 -3.642 54 HG3 ARG 10 2HG ARG 10 1.356 13.176 -5.610 55 HD3 ARG 10 2HD ARG 10 1.860 15.963 -6.544 56 HE ARG 10 HE ARG 10 -0.392 14.387 -7.478 57 HH11 ARG 10 1HH1 ARG 10 3.184 14.593 -7.885 58 HH12 ARG 10 2HH1 ARG 10 3.123 13.701 -9.333 59 HH21 ARG 10 1HH2 ARG 10 -0.309 13.025 -9.318 60 HH22 ARG 10 2HH2 ARG 10 1.160 12.850 -10.176 61 H ASP 11 H ASP 11 1.461 14.280 -0.738 62 HA ASP 11 HA ASP 11 2.979 12.075 0.151 63 HB3 ASP 11 2HB ASP 11 1.071 13.720 1.856 64 H ALA 12 H ALA 12 -0.507 12.626 0.152 65 HA ALA 12 HA ALA 12 -1.140 10.230 1.644 66 HB1 ALA 12 1HB ALA 12 -2.487 12.237 1.787 67 HB2 ALA 12 2HB ALA 12 -2.935 12.104 0.070 68 HB3 ALA 12 3HB ALA 12 -3.481 10.878 1.235 69 H ARG 13 H ARG 13 -0.106 10.152 -1.535 70 HA ARG 13 HA ARG 13 -2.086 8.356 -2.746 71 HB3 ARG 13 2HB ARG 13 0.228 7.924 -4.129 72 HG3 ARG 13 2HG ARG 13 -1.761 8.663 -5.084 73 HD3 ARG 13 2HD ARG 13 -2.151 11.358 -4.948 74 HE ARG 13 HE ARG 13 -3.538 9.228 -4.273 75 HH11 ARG 13 1HH1 ARG 13 -3.148 12.275 -2.498 76 HH12 ARG 13 2HH1 ARG 13 -4.719 12.231 -1.754 77 HH21 ARG 13 1HH2 ARG 13 -5.552 9.028 -3.031 78 HH22 ARG 13 2HH2 ARG 13 -6.146 10.444 -2.244 79 H THR 14 H THR 14 0.195 7.776 -0.234 80 HA THR 14 HA THR 14 1.115 5.246 -0.806 81 HB THR 14 HB THR 14 0.258 6.341 1.898 82 HG1 THR 14 1HG THR 14 1.847 7.683 1.832 83 HG21 THR 14 3HG2 THR 14 1.173 4.039 1.954 84 HG22 THR 14 1HG2 THR 14 2.264 5.201 2.740 85 HG23 THR 14 2HG2 THR 14 2.641 4.597 1.114 86 H VAL 15 H VAL 15 0.330 3.134 -0.451 87 HA VAL 15 HA VAL 15 -2.520 2.904 0.363 88 HB VAL 15 HB VAL 15 -2.703 0.941 -1.010 89 HG11 VAL 15 1HG1 VAL 15 -1.826 3.425 -2.565 90 HG12 VAL 15 2HG1 VAL 15 -2.941 2.165 -3.140 91 HG13 VAL 15 3HG1 VAL 15 -3.399 3.209 -1.786 92 HG21 VAL 15 3HG2 VAL 15 -0.390 0.187 -1.294 93 HG22 VAL 15 1HG2 VAL 15 -1.132 0.488 -2.851 94 HG23 VAL 15 2HG2 VAL 15 0.022 1.664 -2.187 95 H PHE 16 H PHE 16 -2.726 2.074 2.204 96 HA PHE 16 HA PHE 16 -0.697 0.603 3.590 97 HB3 PHE 16 2HB PHE 16 -3.648 1.031 4.157 98 HD1 PHE 16 1HD PHE 16 -0.412 -0.280 5.531 99 HD2 PHE 16 2HD PHE 16 -4.615 0.422 6.237 100 HE1 PHE 16 1HE PHE 16 -0.320 -1.848 7.404 101 HE2 PHE 16 2HE PHE 16 -4.494 -1.151 8.194 102 HZ PHE 16 HZ PHE 16 -2.352 -2.335 8.716 103 H CYS 17 H CYS 17 -0.334 -1.497 3.467 104 HA CYS 17 HA CYS 17 -2.256 -3.294 2.106 105 HB3 CYS 17 2HB CYS 17 -0.299 -4.514 1.312 106 HG CYS 17 HG CYS 17 0.153 -1.227 1.044 107 H MET 18 H MET 18 -3.251 -4.342 3.815 108 HA MET 18 HA MET 18 -1.592 -5.226 6.130 109 HB3 MET 18 2HB MET 18 -4.568 -4.735 6.195 110 HG3 MET 18 2HG MET 18 -3.232 -4.288 8.671 111 HE1 MET 18 3HE MET 18 -5.453 -3.952 9.691 112 HE2 MET 18 1HE MET 18 -6.061 -4.005 8.021 113 HE3 MET 18 2HE MET 18 -6.879 -4.937 9.293 114 H GLN 19 H GLN 19 -2.720 -7.345 7.034 115 HA GLN 19 HA GLN 19 -3.502 -9.419 6.931 116 HB3 GLN 19 2HB GLN 19 -4.570 -8.994 4.132 117 HG3 GLN 19 2HG GLN 19 -5.661 -10.522 6.542 118 HE21 GLN 19 1HE2 GLN 19 -6.060 -9.575 3.168 119 HE22 GLN 19 2HE2 GLN 19 -7.771 -9.812 2.992 120 H LEU 20 H LEU 20 -0.880 -8.419 5.762 121 HA LEU 20 HA LEU 20 -0.345 -10.176 3.534 122 HB3 LEU 20 2HB LEU 20 1.846 -9.216 3.465 123 HG LEU 20 HG LEU 20 0.092 -6.955 4.518 124 HD11 LEU 20 1HD1 LEU 20 2.530 -6.977 2.698 125 HD12 LEU 20 2HD1 LEU 20 2.495 -6.461 4.393 126 HD13 LEU 20 3HD1 LEU 20 1.584 -5.549 3.180 127 HD21 LEU 20 3HD2 LEU 20 0.357 -7.977 1.655 128 HD22 LEU 20 1HD2 LEU 20 -0.501 -6.512 2.169 129 HD23 LEU 20 2HD2 LEU 20 -1.091 -8.082 2.667 130 H ALA 21 H ALA 21 1.624 -11.634 3.493 131 HA ALA 21 HA ALA 21 1.464 -13.564 5.634 132 HB1 ALA 21 1HB ALA 21 1.992 -14.401 3.408 133 HB2 ALA 21 2HB ALA 21 3.397 -13.300 3.283 134 HB3 ALA 21 3HB ALA 21 3.392 -14.655 4.422 135 H ALA 22 H ALA 22 3.007 -14.142 7.074 136 HA ALA 22 HA ALA 22 4.668 -12.323 8.380 137 HB1 ALA 22 1HB ALA 22 5.653 -14.300 9.453 138 HB2 ALA 22 2HB ALA 22 3.916 -14.544 9.248 139 HB3 ALA 22 3HB ALA 22 5.056 -15.339 8.143 140 H ARG 23 H ARG 23 5.348 -14.005 5.434 141 HA ARG 23 HA ARG 23 8.287 -13.469 5.587 142 HB3 ARG 23 2HB ARG 23 8.455 -15.605 4.216 143 HG3 ARG 23 2HG ARG 23 7.252 -16.830 6.520 144 HD3 ARG 23 2HD ARG 23 9.727 -16.748 7.323 145 HE ARG 23 HE ARG 23 8.507 -18.495 5.663 146 HH11 ARG 23 1HH1 ARG 23 11.827 -17.435 6.301 147 HH12 ARG 23 2HH1 ARG 23 12.521 -18.989 5.964 148 HH21 ARG 23 1HH2 ARG 23 9.459 -20.496 4.934 149 HH22 ARG 23 2HH2 ARG 23 11.163 -20.697 5.074 150 H ILE 24 H ILE 24 5.912 -11.876 4.291 151 HA ILE 24 HA ILE 24 6.368 -12.067 1.481 152 HB ILE 24 HB ILE 24 4.346 -11.175 2.597 153 HG13 ILE 24 2HG1 ILE 24 5.296 -10.553 0.220 154 HG21 ILE 24 1HG2 ILE 24 4.233 -8.924 3.499 155 HG22 ILE 24 2HG2 ILE 24 5.454 -9.814 4.412 156 HG23 ILE 24 3HG2 ILE 24 5.948 -8.645 3.169 157 HD11 ILE 24 3HD1 ILE 24 2.952 -9.070 1.412 158 HD12 ILE 24 1HD1 ILE 24 3.299 -9.282 -0.320 159 HD13 ILE 24 2HD1 ILE 24 2.968 -10.690 0.652 160 H ARG 25 H ARG 25 7.570 -10.599 0.160 161 HA ARG 25 HA ARG 25 10.007 -9.386 1.395 162 HB3 ARG 25 2HB ARG 25 10.538 -9.004 -1.107 163 HG3 ARG 25 2HG ARG 25 11.739 -10.859 -0.283 164 HD3 ARG 25 2HD ARG 25 10.552 -13.208 -0.675 165 HE ARG 25 HE ARG 25 10.476 -11.637 1.850 166 HH11 ARG 25 1HH1 ARG 25 10.292 -14.846 0.511 167 HH12 ARG 25 2HH1 ARG 25 11.254 -15.629 1.728 168 HH21 ARG 25 1HH2 ARG 25 11.770 -12.624 3.547 169 HH22 ARG 25 2HH2 ARG 25 12.072 -14.342 3.492 170 HA PRO 26 HA PRO 26 8.182 -5.310 0.813 171 HB3 PRO 26 2HB PRO 26 10.095 -4.208 1.410 172 HG3 PRO 26 2HG PRO 26 12.232 -5.168 0.951 173 HD3 PRO 26 2HD PRO 26 10.950 -6.871 1.991 174 H ARG 27 H ARG 27 10.123 -6.600 -1.973 175 HA ARG 27 HA ARG 27 8.776 -5.195 -4.033 176 HB3 ARG 27 2HB ARG 27 11.008 -6.558 -4.008 177 HG3 ARG 27 2HG ARG 27 8.886 -8.030 -5.383 178 HD3 ARG 27 2HD ARG 27 11.633 -7.942 -6.119 179 HE ARG 27 HE ARG 27 11.046 -10.736 -6.231 180 HH11 ARG 27 1HH1 ARG 27 12.452 -8.254 -4.175 181 HH12 ARG 27 2HH1 ARG 27 13.317 -9.283 -3.121 182 HH21 ARG 27 1HH2 ARG 27 12.448 -12.197 -5.061 183 HH22 ARG 27 2HH2 ARG 27 13.385 -11.605 -3.707 184 H ASP 28 H ASP 28 7.605 -8.042 -2.292 185 HA ASP 28 HA ASP 28 6.100 -9.181 -4.389 186 HB3 ASP 28 2HB ASP 28 4.518 -9.790 -2.323 187 H LEU 29 H LEU 29 5.457 -6.388 -2.386 188 HA LEU 29 HA LEU 29 2.633 -6.099 -3.127 189 HB3 LEU 29 2HB LEU 29 2.781 -4.020 -1.852 190 HG LEU 29 HG LEU 29 3.252 -4.674 0.375 191 HD11 LEU 29 1HD1 LEU 29 1.177 -5.521 -0.784 192 HD12 LEU 29 2HD1 LEU 29 1.683 -6.456 0.623 193 HD13 LEU 29 3HD1 LEU 29 2.013 -7.080 -0.998 194 HD21 LEU 29 3HD2 LEU 29 4.285 -6.683 1.119 195 HD22 LEU 29 1HD2 LEU 29 5.393 -6.037 -0.102 196 HD23 LEU 29 2HD2 LEU 29 4.337 -7.363 -0.507 197 H GLU 30 H GLU 30 5.831 -4.627 -3.974 198 HA GLU 30 HA GLU 30 4.549 -2.450 -5.357 199 HB3 GLU 30 2HB GLU 30 6.918 -2.605 -4.204 200 HG3 GLU 30 2HG GLU 30 7.654 -3.062 -7.112 201 H GLU 31 H GLU 31 5.955 -5.564 -6.255 202 HA GLU 31 HA GLU 31 5.664 -5.601 -9.063 203 HB3 GLU 31 2HB GLU 31 5.220 -8.114 -8.589 204 HG3 GLU 31 2HG GLU 31 7.411 -8.468 -7.236 205 H PHE 32 H PHE 32 3.402 -6.616 -6.527 206 HA PHE 32 HA PHE 32 1.280 -7.486 -8.078 207 HB3 PHE 32 2HB PHE 32 1.251 -6.150 -5.339 208 HD1 PHE 32 2HD PHE 32 -0.234 -9.051 -7.172 209 HD2 PHE 32 1HD PHE 32 -0.953 -5.504 -4.812 210 HE1 PHE 32 2HE PHE 32 -2.640 -9.448 -7.337 211 HE2 PHE 32 1HE PHE 32 -3.387 -5.953 -4.895 212 HZ PHE 32 HZ PHE 32 -4.248 -7.868 -6.206 213 H PHE 33 H PHE 33 2.112 -4.206 -7.215 214 HA PHE 33 HA PHE 33 -0.380 -3.127 -8.423 215 HB3 PHE 33 2HB PHE 33 0.600 -0.986 -7.761 216 HD1 PHE 33 2HD PHE 33 -1.746 -2.434 -6.822 217 HD2 PHE 33 1HD PHE 33 1.943 -1.627 -4.734 218 HE1 PHE 33 2HE PHE 33 -2.923 -2.611 -4.645 219 HE2 PHE 33 1HE PHE 33 0.757 -1.799 -2.576 220 HZ PHE 33 HZ PHE 33 -1.675 -2.240 -2.528 221 H SER 34 H SER 34 3.134 -3.321 -9.135 222 HA SER 34 HA SER 34 3.284 -1.295 -11.060 223 HB3 SER 34 2HB SER 34 4.871 -3.886 -10.823 224 HG SER 34 HG SER 34 6.483 -2.125 -11.670 225 H THR 35 H THR 35 1.828 -4.432 -11.342 226 HA THR 35 HA THR 35 1.950 -4.750 -14.177 227 HB THR 35 HB THR 35 1.416 -6.575 -12.694 228 HG1 THR 35 1HG THR 35 0.612 -6.719 -14.761 229 HG21 THR 35 3HG2 THR 35 -1.255 -5.238 -12.126 230 HG22 THR 35 1HG2 THR 35 0.095 -5.385 -10.989 231 HG23 THR 35 2HG2 THR 35 -0.717 -6.841 -11.582 232 H VAL 36 H VAL 36 0.065 -2.505 -12.294 233 HA VAL 36 HA VAL 36 -1.312 -1.563 -14.756 234 HB VAL 36 HB VAL 36 -3.331 -1.161 -13.319 235 HG11 VAL 36 1HG1 VAL 36 -3.237 -3.038 -14.887 236 HG12 VAL 36 2HG1 VAL 36 -2.576 -4.083 -13.615 237 HG13 VAL 36 3HG1 VAL 36 -4.210 -3.408 -13.456 238 HG21 VAL 36 3HG2 VAL 36 -1.986 -3.051 -11.323 239 HG22 VAL 36 1HG2 VAL 36 -2.278 -1.316 -11.072 240 HG23 VAL 36 2HG2 VAL 36 -3.635 -2.432 -11.245 241 H GLY 37 H GLY 37 1.052 -0.732 -12.683 242 HA2 GLY 37 1HA GLY 37 0.126 2.036 -12.190 243 HA3 GLY 37 2HA GLY 37 0.412 0.933 -10.838 244 H LYS 38 H LYS 38 1.839 2.888 -10.444 245 HA LYS 38 HA LYS 38 4.547 2.076 -11.054 246 HB3 LYS 38 2HB LYS 38 4.435 3.728 -12.721 247 HG3 LYS 38 2HG LYS 38 3.019 5.483 -10.691 248 HD3 LYS 38 2HD LYS 38 4.799 6.684 -12.032 249 HE3 LYS 38 2HE LYS 38 2.911 6.522 -14.403 250 HZ1 LYS 38 3HZ LYS 38 4.910 6.851 -15.579 251 HZ2 LYS 38 1HZ LYS 38 5.862 6.542 -14.250 252 HZ3 LYS 38 2HZ LYS 38 4.949 7.919 -14.345 253 H VAL 39 H VAL 39 5.809 2.289 -9.376 254 HA VAL 39 HA VAL 39 4.619 3.208 -6.826 255 HB VAL 39 HB VAL 39 6.896 1.264 -7.397 256 HG11 VAL 39 1HG1 VAL 39 6.685 0.664 -5.009 257 HG12 VAL 39 2HG1 VAL 39 7.137 2.364 -5.181 258 HG13 VAL 39 3HG1 VAL 39 5.471 1.939 -4.785 259 HG21 VAL 39 3HG2 VAL 39 5.152 -0.412 -6.565 260 HG22 VAL 39 1HG2 VAL 39 3.951 0.876 -6.651 261 HG23 VAL 39 2HG2 VAL 39 4.800 0.300 -8.119 262 H ARG 40 H ARG 40 5.633 4.622 -5.558 263 HA ARG 40 HA ARG 40 7.780 6.338 -6.649 264 HB3 ARG 40 2HB ARG 40 5.785 6.576 -4.404 265 HG3 ARG 40 2HG ARG 40 8.160 8.383 -5.044 266 HD3 ARG 40 2HD ARG 40 5.459 8.835 -3.773 267 HE ARG 40 HE ARG 40 7.005 9.601 -2.130 268 HH11 ARG 40 1HH1 ARG 40 6.792 11.571 -5.074 269 HH12 ARG 40 2HH1 ARG 40 7.157 13.068 -4.286 270 HH21 ARG 40 1HH2 ARG 40 7.768 11.471 -1.136 271 HH22 ARG 40 2HH2 ARG 40 7.733 13.007 -1.921 272 H ASP 41 H ASP 41 6.908 4.494 -3.584 273 HA ASP 41 HA ASP 41 9.563 3.429 -3.450 274 HB3 ASP 41 2HB ASP 41 8.873 5.200 -1.094 275 H VAL 42 H VAL 42 9.721 2.281 -1.148 276 HA VAL 42 HA VAL 42 7.125 0.923 -0.590 277 HB VAL 42 HB VAL 42 9.852 -0.330 -1.135 278 HG11 VAL 42 1HG1 VAL 42 8.541 -1.645 0.523 279 HG12 VAL 42 2HG1 VAL 42 7.166 -1.640 -0.614 280 HG13 VAL 42 3HG1 VAL 42 8.652 -2.479 -1.042 281 HG21 VAL 42 3HG2 VAL 42 7.252 -0.447 -2.751 282 HG22 VAL 42 1HG2 VAL 42 8.718 0.421 -3.214 283 HG23 VAL 42 2HG2 VAL 42 8.753 -1.332 -3.113 284 H ARG 43 H ARG 43 6.638 1.214 1.505 285 HA ARG 43 HA ARG 43 8.803 1.697 3.475 286 HB3 ARG 43 2HB ARG 43 5.975 2.767 3.402 287 HG3 ARG 43 2HG ARG 43 8.310 4.020 4.828 288 HD3 ARG 43 2HD ARG 43 5.296 4.100 5.005 289 HE ARG 43 HE ARG 43 5.303 4.358 7.210 290 HH11 ARG 43 1HH1 ARG 43 8.472 5.528 6.209 291 HH12 ARG 43 2HH1 ARG 43 9.074 5.689 7.829 292 HH21 ARG 43 1HH2 ARG 43 6.119 4.262 9.253 293 HH22 ARG 43 2HH2 ARG 43 7.763 4.676 9.631 294 H MET 44 H MET 44 8.391 -0.983 3.063 295 HA MET 44 HA MET 44 6.193 -2.136 4.360 296 HB3 MET 44 2HB MET 44 8.967 -3.039 3.431 297 HG3 MET 44 2HG MET 44 6.722 -4.539 4.760 298 HE1 MET 44 3HE MET 44 6.514 -6.989 5.126 299 HE2 MET 44 1HE MET 44 7.750 -8.198 4.716 300 HE3 MET 44 2HE MET 44 8.101 -6.929 5.915 301 H ILE 45 H ILE 45 5.916 -2.536 6.618 302 HA ILE 45 HA ILE 45 7.926 -1.581 8.446 303 HB ILE 45 HB ILE 45 5.573 -3.428 9.095 304 HG13 ILE 45 2HG1 ILE 45 5.565 -0.377 8.962 305 HG21 ILE 45 1HG2 ILE 45 7.251 -1.440 10.709 306 HG22 ILE 45 2HG2 ILE 45 5.873 -2.336 11.332 307 HG23 ILE 45 3HG2 ILE 45 7.330 -3.213 10.824 308 HD11 ILE 45 3HD1 ILE 45 3.127 -1.218 8.109 309 HD12 ILE 45 1HD1 ILE 45 4.494 -0.973 6.992 310 HD13 ILE 45 2HD1 ILE 45 4.086 -2.590 7.601 311 H SER 46 H SER 46 9.675 -2.732 9.088 312 HA SER 46 HA SER 46 10.457 -5.066 7.709 313 HB3 SER 46 2HB SER 46 12.483 -4.805 8.988 314 HG SER 46 HG SER 46 12.631 -2.369 8.926 315 H ASP 47 H ASP 47 8.592 -6.315 8.385 316 HA ASP 47 HA ASP 47 8.027 -6.994 11.044 317 HB3 ASP 47 2HB ASP 47 6.429 -8.700 9.582 318 H ARG 48 H ARG 48 10.236 -7.809 11.567 319 HA ARG 48 HA ARG 48 10.445 -10.782 11.133 320 HB3 ARG 48 2HB ARG 48 12.787 -10.539 11.648 321 HG3 ARG 48 2HG ARG 48 12.008 -8.488 9.546 322 HD3 ARG 48 2HD ARG 48 14.092 -10.450 8.856 323 HE ARG 48 HE ARG 48 15.173 -7.950 8.758 324 HH11 ARG 48 1HH1 ARG 48 12.242 -9.395 7.312 325 HH12 ARG 48 2HH1 ARG 48 12.043 -8.108 6.165 326 HH21 ARG 48 1HH2 ARG 48 14.958 -6.350 7.103 327 HH22 ARG 48 2HH2 ARG 48 13.700 -6.524 5.921 328 H ASN 49 H ASN 49 10.099 -8.362 13.599 329 HA ASN 49 HA ASN 49 11.198 -9.366 15.852 330 HB3 ASN 49 2HB ASN 49 10.008 -7.269 15.879 331 HD21 ASN 49 1HD2 ASN 49 8.807 -6.648 14.059 332 HD22 ASN 49 2HD2 ASN 49 7.192 -7.293 13.714 333 H SER 50 H SER 50 8.413 -10.875 14.271 334 HA SER 50 HA SER 50 7.506 -12.937 14.618 335 HB3 SER 50 2HB SER 50 9.356 -13.895 16.666 336 HG SER 50 HG SER 50 9.848 -15.330 15.146 337 H ARG 51 H ARG 51 6.824 -10.567 16.403 338 HA ARG 51 HA ARG 51 5.097 -12.078 18.246 339 HB3 ARG 51 2HB ARG 51 6.933 -9.880 19.287 340 HG3 ARG 51 2HG ARG 51 5.167 -11.957 20.677 341 HD3 ARG 51 2HD ARG 51 6.097 -10.663 22.738 342 HE ARG 51 HE ARG 51 7.223 -13.010 21.447 343 HH11 ARG 51 1HH1 ARG 51 7.594 -10.859 24.260 344 HH12 ARG 51 2HH1 ARG 51 8.114 -12.158 25.298 345 HH21 ARG 51 1HH2 ARG 51 7.871 -14.644 22.827 346 HH22 ARG 51 2HH2 ARG 51 8.314 -14.314 24.486 347 H ARG 52 H ARG 52 5.380 -9.504 16.067 348 HA ARG 52 HA ARG 52 3.081 -7.987 17.187 349 HB3 ARG 52 2HB ARG 52 3.654 -6.256 15.561 350 HG3 ARG 52 2HG ARG 52 6.176 -7.088 17.044 351 HD3 ARG 52 2HD ARG 52 5.368 -4.350 15.990 352 HE ARG 52 HE ARG 52 7.386 -4.870 17.641 353 HH11 ARG 52 1HH1 ARG 52 7.403 -4.141 14.145 354 HH12 ARG 52 2HH1 ARG 52 8.940 -3.340 14.187 355 HH21 ARG 52 1HH2 ARG 52 9.558 -4.006 17.616 356 HH22 ARG 52 2HH2 ARG 52 10.294 -3.497 16.143 357 H SER 53 H SER 53 2.067 -7.046 14.608 358 HA SER 53 HA SER 53 0.259 -9.086 14.078 359 HB3 SER 53 2HB SER 53 -0.619 -7.745 12.361 360 HG SER 53 HG SER 53 -0.959 -5.922 13.424 361 H LYS 54 H LYS 54 3.140 -8.234 12.268 362 HA LYS 54 HA LYS 54 4.411 -9.332 10.762 363 HB3 LYS 54 2HB LYS 54 4.228 -11.875 10.651 364 HG3 LYS 54 2HG LYS 54 4.670 -12.169 13.198 365 HD3 LYS 54 2HD LYS 54 6.879 -10.827 12.938 366 HE3 LYS 54 2HE LYS 54 5.831 -13.121 11.324 367 HZ1 LYS 54 3HZ LYS 54 7.163 -12.258 9.606 368 HZ2 LYS 54 1HZ LYS 54 8.094 -13.384 10.339 369 HZ3 LYS 54 2HZ LYS 54 8.347 -11.759 10.580 370 H GLY 55 H GLY 55 2.137 -7.923 9.778 371 HA2 GLY 55 1HA GLY 55 1.877 -9.245 7.200 372 HA3 GLY 55 2HA GLY 55 0.391 -9.291 8.156 373 H ILE 56 H ILE 56 2.871 -6.635 7.728 374 HA ILE 56 HA ILE 56 0.739 -4.927 6.591 375 HB ILE 56 HB ILE 56 1.676 -3.125 8.205 376 HG13 ILE 56 2HG1 ILE 56 3.545 -4.525 9.085 377 HG21 ILE 56 1HG2 ILE 56 -0.089 -3.614 9.813 378 HG22 ILE 56 2HG2 ILE 56 -0.639 -4.132 8.221 379 HG23 ILE 56 3HG2 ILE 56 -0.075 -5.334 9.385 380 HD11 ILE 56 3HD1 ILE 56 3.471 -3.751 11.316 381 HD12 ILE 56 1HD1 ILE 56 2.562 -2.551 10.380 382 HD13 ILE 56 2HD1 ILE 56 1.697 -3.766 11.370 383 H ALA 57 H ALA 57 1.424 -3.251 5.256 384 HA ALA 57 HA ALA 57 4.164 -2.329 5.184 385 HB1 ALA 57 1HB ALA 57 4.517 -2.852 2.819 386 HB2 ALA 57 2HB ALA 57 4.249 -4.356 3.699 387 HB3 ALA 57 3HB ALA 57 2.948 -3.645 2.709 388 H TYR 58 H TYR 58 4.264 -0.278 3.831 389 HA TYR 58 HA TYR 58 1.641 0.794 2.829 390 HB3 TYR 58 2HB TYR 58 2.451 2.983 3.507 391 HD1 TYR 58 2HD TYR 58 0.300 2.674 4.702 392 HD2 TYR 58 1HD TYR 58 4.051 1.240 6.272 393 HE1 TYR 58 2HE TYR 58 -0.751 2.362 6.902 394 HE2 TYR 58 1HE TYR 58 3.010 0.921 8.479 395 HH TYR 58 HH TYR 58 -0.415 1.838 9.103 396 H VAL 59 H VAL 59 1.855 0.903 0.559 397 HA VAL 59 HA VAL 59 4.606 1.302 -0.578 398 HB VAL 59 HB VAL 59 2.049 0.281 -1.882 399 HG11 VAL 59 1HG1 VAL 59 3.561 -0.272 -3.799 400 HG12 VAL 59 2HG1 VAL 59 3.448 1.467 -3.514 401 HG13 VAL 59 3HG1 VAL 59 4.885 0.569 -2.968 402 HG21 VAL 59 3HG2 VAL 59 3.254 -1.858 -2.051 403 HG22 VAL 59 1HG2 VAL 59 4.614 -1.199 -1.134 404 HG23 VAL 59 2HG2 VAL 59 3.020 -1.413 -0.358 405 H GLU 60 H GLU 60 5.123 3.276 -1.354 406 HA GLU 60 HA GLU 60 3.039 5.330 -1.513 407 HB3 GLU 60 2HB GLU 60 5.025 6.685 -2.420 408 HG3 GLU 60 2HG GLU 60 4.982 5.683 0.417 409 H PHE 61 H PHE 61 1.804 5.316 -3.309 410 HA PHE 61 HA PHE 61 2.854 4.316 -5.909 411 HB3 PHE 61 2HB PHE 61 0.497 5.628 -6.440 412 HD1 PHE 61 2HD PHE 61 0.048 2.776 -4.140 413 HD2 PHE 61 1HD PHE 61 0.672 3.998 -8.230 414 HE1 PHE 61 2HE PHE 61 -0.964 0.637 -4.967 415 HE2 PHE 61 1HE PHE 61 -0.288 1.864 -9.012 416 HZ PHE 61 HZ PHE 61 -1.210 0.238 -7.380 417 H VAL 62 H VAL 62 2.804 5.805 -7.794 418 HA VAL 62 HA VAL 62 3.619 8.571 -7.105 419 HB VAL 62 HB VAL 62 3.447 7.332 -9.839 420 HG11 VAL 62 1HG1 VAL 62 3.734 9.672 -9.998 421 HG12 VAL 62 2HG1 VAL 62 5.009 9.681 -8.758 422 HG13 VAL 62 3HG1 VAL 62 5.304 8.953 -10.358 423 HG21 VAL 62 3HG2 VAL 62 4.957 5.871 -8.511 424 HG22 VAL 62 1HG2 VAL 62 5.829 6.755 -9.757 425 HG23 VAL 62 2HG2 VAL 62 5.925 7.305 -8.080 426 H ASP 63 H ASP 63 0.581 7.009 -7.758 427 HA ASP 63 HA ASP 63 -0.477 9.533 -8.938 428 HB3 ASP 63 2HB ASP 63 -1.011 6.678 -9.868 429 H VAL 64 H VAL 64 -2.309 10.253 -8.285 430 HA VAL 64 HA VAL 64 -3.580 9.193 -5.994 431 HB VAL 64 HB VAL 64 -3.634 11.564 -6.582 432 HG11 VAL 64 1HG1 VAL 64 -4.987 12.530 -8.352 433 HG12 VAL 64 2HG1 VAL 64 -3.784 11.459 -9.052 434 HG13 VAL 64 3HG1 VAL 64 -5.467 10.925 -8.932 435 HG21 VAL 64 3HG2 VAL 64 -5.953 12.087 -6.099 436 HG22 VAL 64 1HG2 VAL 64 -6.485 10.498 -6.660 437 HG23 VAL 64 2HG2 VAL 64 -5.490 10.619 -5.215 438 H SER 65 H SER 65 -4.200 8.461 -9.468 439 HA SER 65 HA SER 65 -6.898 7.504 -8.698 440 HB3 SER 65 2HB SER 65 -7.202 7.052 -11.056 441 HG SER 65 HG SER 65 -6.945 9.260 -11.697 442 H SER 66 H SER 66 -3.717 6.201 -8.564 443 HA SER 66 HA SER 66 -4.668 3.500 -8.917 444 HB3 SER 66 2HB SER 66 -2.578 2.796 -8.372 445 HG SER 66 HG SER 66 -2.875 3.851 -10.408 446 H VAL 67 H VAL 67 -4.926 5.754 -6.254 447 HA VAL 67 HA VAL 67 -4.851 3.832 -4.143 448 HB VAL 67 HB VAL 67 -6.275 6.515 -4.341 449 HG11 VAL 67 1HG1 VAL 67 -7.446 5.162 -2.667 450 HG12 VAL 67 2HG1 VAL 67 -5.898 4.704 -1.918 451 HG13 VAL 67 3HG1 VAL 67 -6.460 6.389 -1.859 452 HG21 VAL 67 3HG2 VAL 67 -3.829 6.719 -4.380 453 HG22 VAL 67 1HG2 VAL 67 -4.456 7.259 -2.808 454 HG23 VAL 67 2HG2 VAL 67 -3.693 5.675 -2.953 455 HA PRO 68 HA PRO 68 -9.480 2.982 -4.926 456 HB3 PRO 68 2HB PRO 68 -10.720 4.738 -5.666 457 HG3 PRO 68 2HG PRO 68 -9.776 6.412 -7.048 458 HD3 PRO 68 2HD PRO 68 -8.286 6.173 -5.245 459 H LEU 69 H LEU 69 -7.058 2.904 -7.512 460 HA LEU 69 HA LEU 69 -8.071 0.543 -8.808 461 HB3 LEU 69 2HB LEU 69 -5.118 1.093 -8.532 462 HG LEU 69 HG LEU 69 -6.858 0.444 -10.941 463 HD11 LEU 69 1HD1 LEU 69 -4.817 1.750 -11.384 464 HD12 LEU 69 2HD1 LEU 69 -4.692 0.128 -12.054 465 HD13 LEU 69 3HD1 LEU 69 -3.831 0.529 -10.550 466 HD21 LEU 69 3HD2 LEU 69 -6.847 -1.558 -9.547 467 HD22 LEU 69 1HD2 LEU 69 -5.090 -1.414 -9.285 468 HD23 LEU 69 2HD2 LEU 69 -5.752 -1.801 -10.889 469 H ALA 70 H ALA 70 -5.577 1.066 -6.244 470 HA ALA 70 HA ALA 70 -5.040 -1.610 -5.697 471 HB1 ALA 70 1HB ALA 70 -3.622 0.237 -4.943 472 HB2 ALA 70 2HB ALA 70 -4.903 0.824 -3.865 473 HB3 ALA 70 3HB ALA 70 -4.127 -0.736 -3.539 474 H ILE 71 H ILE 71 -7.613 0.449 -4.364 475 HA ILE 71 HA ILE 71 -8.576 -1.294 -2.326 476 HB ILE 71 HB ILE 71 -9.933 0.778 -4.095 477 HG13 ILE 71 2HG1 ILE 71 -8.175 1.522 -2.475 478 HG21 ILE 71 1HG2 ILE 71 -11.154 -0.574 -1.658 479 HG22 ILE 71 2HG2 ILE 71 -11.870 0.751 -2.601 480 HG23 ILE 71 3HG2 ILE 71 -11.673 -0.832 -3.330 481 HD11 ILE 71 3HD1 ILE 71 -10.839 2.380 -1.317 482 HD12 ILE 71 1HD1 ILE 71 -9.299 3.254 -1.379 483 HD13 ILE 71 2HD1 ILE 71 -10.218 2.997 -2.871 484 H GLY 72 H GLY 72 -9.329 -1.129 -5.827 485 HA2 GLY 72 1HA GLY 72 -11.244 -3.187 -5.870 486 HA3 GLY 72 2HA GLY 72 -10.346 -2.559 -7.246 487 H LEU 73 H LEU 73 -7.938 -3.584 -5.256 488 HA LEU 73 HA LEU 73 -7.721 -6.183 -6.684 489 HB3 LEU 73 2HB LEU 73 -5.374 -6.046 -6.097 490 HG LEU 73 HG LEU 73 -6.349 -3.491 -7.415 491 HD11 LEU 73 1HD1 LEU 73 -4.019 -3.310 -6.591 492 HD12 LEU 73 2HD1 LEU 73 -4.082 -3.341 -8.361 493 HD13 LEU 73 3HD1 LEU 73 -3.586 -4.786 -7.461 494 HD21 LEU 73 3HD2 LEU 73 -5.963 -4.578 -9.524 495 HD22 LEU 73 1HD2 LEU 73 -6.986 -5.685 -8.601 496 HD23 LEU 73 2HD2 LEU 73 -5.234 -5.977 -8.730 497 H THR 74 H THR 74 -8.955 -5.219 -3.747 498 HA THR 74 HA THR 74 -7.610 -6.500 -1.808 499 HB THR 74 HB THR 74 -9.432 -4.936 -1.478 500 HG1 THR 74 1HG THR 74 -8.705 -6.630 0.099 501 HG21 THR 74 3HG2 THR 74 -11.122 -5.812 -3.063 502 HG22 THR 74 1HG2 THR 74 -11.779 -5.706 -1.426 503 HG23 THR 74 2HG2 THR 74 -11.305 -7.279 -2.068 504 H GLY 75 H GLY 75 -9.314 -8.299 -4.230 505 HA2 GLY 75 1HA GLY 75 -9.642 -10.670 -2.433 506 HA3 GLY 75 2HA GLY 75 -10.583 -10.338 -3.885 507 H GLN 76 H GLN 76 -7.353 -9.567 -4.519 508 HA GLN 76 HA GLN 76 -6.720 -12.121 -5.856 509 HB3 GLN 76 2HB GLN 76 -4.657 -10.961 -6.393 510 HG3 GLN 76 2HG GLN 76 -6.657 -8.821 -7.023 511 HE21 GLN 76 1HE2 GLN 76 -6.031 -7.753 -8.920 512 HE22 GLN 76 2HE2 GLN 76 -4.585 -8.147 -9.803 513 H ARG 77 H ARG 77 -4.437 -13.028 -5.098 514 HA ARG 77 HA ARG 77 -3.550 -12.304 -2.501 515 HB3 ARG 77 2HB ARG 77 -5.302 -13.541 -1.565 516 HG3 ARG 77 2HG ARG 77 -4.823 -15.527 -3.801 517 HD3 ARG 77 2HD ARG 77 -6.509 -15.983 -1.352 518 HE ARG 77 HE ARG 77 -6.498 -17.254 -3.820 519 HH11 ARG 77 1HH1 ARG 77 -5.801 -18.208 -0.480 520 HH12 ARG 77 2HH1 ARG 77 -5.978 -19.910 -0.750 521 HH21 ARG 77 1HH2 ARG 77 -7.115 -19.503 -4.112 522 HH22 ARG 77 2HH2 ARG 77 -6.573 -20.656 -2.901 523 H VAL 78 H VAL 78 -1.648 -12.063 -3.698 524 HA VAL 78 HA VAL 78 -0.523 -14.137 -5.324 525 HB VAL 78 HB VAL 78 1.697 -12.962 -5.086 526 HG11 VAL 78 1HG1 VAL 78 -0.568 -11.230 -6.105 527 HG12 VAL 78 2HG1 VAL 78 1.119 -11.203 -6.610 528 HG13 VAL 78 3HG1 VAL 78 0.135 -12.621 -6.970 529 HG21 VAL 78 3HG2 VAL 78 0.083 -10.781 -3.707 530 HG22 VAL 78 1HG2 VAL 78 1.354 -11.760 -2.947 531 HG23 VAL 78 2HG2 VAL 78 1.772 -10.697 -4.291 532 H LEU 79 H LEU 79 0.201 -16.049 -4.737 533 HA LEU 79 HA LEU 79 0.987 -17.777 -3.525 534 HB3 LEU 79 2HB LEU 79 2.987 -17.520 -2.221 535 HG LEU 79 HG LEU 79 3.182 -15.237 -4.231 536 HD11 LEU 79 1HD1 LEU 79 5.083 -15.428 -2.693 537 HD12 LEU 79 2HD1 LEU 79 5.559 -15.891 -4.321 538 HD13 LEU 79 3HD1 LEU 79 5.262 -17.148 -3.095 539 HD21 LEU 79 3HD2 LEU 79 2.304 -17.219 -5.403 540 HD22 LEU 79 1HD2 LEU 79 3.610 -18.214 -4.734 541 HD23 LEU 79 2HD2 LEU 79 3.969 -16.886 -5.851 542 H GLY 80 H GLY 80 -1.092 -15.707 -2.166 543 HA2 GLY 80 1HA GLY 80 -2.586 -16.780 -0.435 544 HA3 GLY 80 2HA GLY 80 -1.086 -17.179 0.410 545 H VAL 81 H VAL 81 -0.798 -14.076 -1.072 546 HA VAL 81 HA VAL 81 -1.426 -12.735 1.479 547 HB VAL 81 HB VAL 81 0.588 -12.038 -0.665 548 HG11 VAL 81 1HG1 VAL 81 1.035 -10.583 1.726 549 HG12 VAL 81 2HG1 VAL 81 0.442 -9.956 0.174 550 HG13 VAL 81 3HG1 VAL 81 -0.691 -10.428 1.426 551 HG21 VAL 81 3HG2 VAL 81 1.306 -13.963 0.595 552 HG22 VAL 81 1HG2 VAL 81 2.124 -12.562 1.311 553 HG23 VAL 81 2HG2 VAL 81 0.701 -13.257 2.105 554 HA PRO 82 HA PRO 82 -4.521 -10.674 -1.192 555 HB3 PRO 82 2HB PRO 82 -6.234 -12.023 -0.198 556 HG3 PRO 82 2HG PRO 82 -6.010 -12.698 2.151 557 HD3 PRO 82 2HD PRO 82 -4.227 -13.636 0.868 558 H ILE 83 H ILE 83 -5.637 -8.536 -0.511 559 HA ILE 83 HA ILE 83 -4.032 -7.042 1.485 560 HB ILE 83 HB ILE 83 -3.122 -6.729 -0.744 561 HG13 ILE 83 2HG1 ILE 83 -3.049 -4.966 0.956 562 HG21 ILE 83 1HG2 ILE 83 -5.710 -5.359 -1.619 563 HG22 ILE 83 2HG2 ILE 83 -4.278 -5.735 -2.602 564 HG23 ILE 83 3HG2 ILE 83 -5.316 -7.037 -2.061 565 HD11 ILE 83 3HD1 ILE 83 -3.418 -3.762 -1.817 566 HD12 ILE 83 1HD1 ILE 83 -2.595 -3.021 -0.443 567 HD13 ILE 83 2HD1 ILE 83 -1.912 -4.486 -1.191 568 H ILE 84 H ILE 84 -5.172 -5.549 2.683 569 HA ILE 84 HA ILE 84 -8.090 -5.598 2.490 570 HB ILE 84 HB ILE 84 -6.199 -3.924 4.219 571 HG13 ILE 84 2HG1 ILE 84 -6.914 -5.579 6.044 572 HG21 ILE 84 1HG2 ILE 84 -8.033 -3.542 5.724 573 HG22 ILE 84 2HG2 ILE 84 -8.493 -2.938 4.152 574 HG23 ILE 84 3HG2 ILE 84 -9.168 -4.469 4.706 575 HD11 ILE 84 3HD1 ILE 84 -8.742 -6.698 4.545 576 HD12 ILE 84 1HD1 ILE 84 -7.398 -7.468 3.731 577 HD13 ILE 84 2HD1 ILE 84 -7.652 -7.755 5.468 578 H VAL 85 H VAL 85 -9.439 -4.013 1.808 579 HA VAL 85 HA VAL 85 -8.862 -2.079 -0.130 580 HB VAL 85 HB VAL 85 -11.189 -1.386 0.350 581 HG11 VAL 85 1HG1 VAL 85 -10.881 -4.357 0.448 582 HG12 VAL 85 2HG1 VAL 85 -12.290 -3.449 -0.135 583 HG13 VAL 85 3HG1 VAL 85 -10.749 -3.333 -1.006 584 HG21 VAL 85 3HG2 VAL 85 -12.532 -2.429 2.107 585 HG22 VAL 85 1HG2 VAL 85 -11.135 -3.330 2.714 586 HG23 VAL 85 2HG2 VAL 85 -11.195 -1.557 2.852 587 H GLN 86 H GLN 86 -7.605 -1.713 2.778 588 HA GLN 86 HA GLN 86 -9.036 0.409 3.942 589 HB3 GLN 86 2HB GLN 86 -6.410 0.649 5.001 590 HG3 GLN 86 2HG GLN 86 -8.595 -1.218 5.894 591 HE21 GLN 86 1HE2 GLN 86 -6.752 1.448 7.327 592 HE22 GLN 86 2HE2 GLN 86 -6.180 0.598 8.743 593 H ALA 87 H ALA 87 -6.216 0.790 1.814 594 HA ALA 87 HA ALA 87 -5.153 2.480 1.013 595 HB1 ALA 87 1HB ALA 87 -6.227 4.608 0.590 596 HB2 ALA 87 2HB ALA 87 -7.363 3.286 0.238 597 HB3 ALA 87 3HB ALA 87 -7.535 4.214 1.739 598 H SER 88 H SER 88 -4.329 4.720 1.739 599 HA SER 88 HA SER 88 -3.802 4.591 4.681 600 HB3 SER 88 2HB SER 88 -1.668 5.763 2.927 601 HG SER 88 HG SER 88 -0.856 5.625 4.807 602 H GLN 89 H GLN 89 -5.954 5.852 3.921 603 HA GLN 89 HA GLN 89 -5.651 8.647 3.172 604 HB3 GLN 89 2HB GLN 89 -8.119 8.646 3.687 605 HG3 GLN 89 2HG GLN 89 -8.795 6.788 2.093 606 HE21 GLN 89 1HE2 GLN 89 -9.729 8.841 1.443 607 HE22 GLN 89 2HE2 GLN 89 -8.935 9.825 0.232 608 H ALA 90 H ALA 90 -7.104 10.134 4.912 609 HA ALA 90 HA ALA 90 -5.916 9.745 7.591 610 HB1 ALA 90 1HB ALA 90 -5.211 12.124 7.602 611 HB2 ALA 90 2HB ALA 90 -4.369 11.219 6.337 612 HB3 ALA 90 3HB ALA 90 -5.730 12.289 5.910 613 H GLU 91 H GLU 91 -6.968 11.074 9.198 614 HA GLU 91 HA GLU 91 -9.856 11.435 8.852 615 HB3 GLU 91 2HB GLU 91 -9.514 12.127 11.351 616 HG3 GLU 91 2HG GLU 91 -8.962 9.726 12.031 617 H LYS 92 H LYS 92 -8.723 13.064 7.075 618 HA LYS 92 HA LYS 92 -9.127 15.807 8.145 619 HB3 LYS 92 2HB LYS 92 -7.164 16.614 6.973 620 HG3 LYS 92 2HG LYS 92 -6.247 14.228 8.646 621 HD3 LYS 92 2HD LYS 92 -5.020 16.976 8.102 622 HE3 LYS 92 2HE LYS 92 -4.038 14.628 9.791 623 HZ1 LYS 92 3HZ LYS 92 -2.389 16.218 10.515 624 HZ2 LYS 92 1HZ LYS 92 -2.969 17.366 9.523 625 HZ3 LYS 92 2HZ LYS 92 -2.239 16.052 8.879 626 H ASN 93 H ASN 93 -10.095 17.154 6.587 627 HA ASN 93 HA ASN 93 -10.045 16.473 3.801 628 HB3 ASN 93 2HB ASN 93 -12.839 16.826 4.144 629 HD21 ASN 93 1HD2 ASN 93 -12.712 13.550 4.473 630 HD22 ASN 93 2HD2 ASN 93 -12.626 13.219 2.748 631 H ARG 94 H ARG 94 -9.324 18.393 3.308 632 HA ARG 94 HA ARG 94 -8.788 20.559 3.280 633 HB3 ARG 94 2HB ARG 94 -10.600 22.212 3.001 634 HG3 ARG 94 2HG ARG 94 -11.033 19.627 1.475 635 HD3 ARG 94 2HD ARG 94 -13.007 21.070 1.400 636 HE ARG 94 HE ARG 94 -11.076 23.169 0.770 637 HH11 ARG 94 1HH1 ARG 94 -14.517 22.351 0.976 638 HH12 ARG 94 2HH1 ARG 94 -15.048 23.916 0.451 639 HH21 ARG 94 1HH2 ARG 94 -11.789 25.234 0.165 640 HH22 ARG 94 2HH2 ARG 94 -13.479 25.599 0.036 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -6.405 25.976 -15.629 2 HA2 GLY 1 1HA GLY 1 -8.507 26.045 -14.286 3 HA3 GLY 1 2HA GLY 1 -8.561 24.898 -15.654 4 H HIS 2 H HIS 2 -10.201 24.624 -13.345 5 HA HIS 2 HA HIS 2 -10.985 23.078 -11.958 6 HB3 HIS 2 2HB HIS 2 -10.507 20.801 -12.141 7 HD1 HIS 2 1HD HIS 2 -8.488 20.989 -15.226 8 HD2 HIS 2 2HD HIS 2 -12.503 21.545 -14.077 9 HE1 HIS 2 1HE HIS 2 -9.864 20.986 -17.376 10 H MET 3 H MET 3 -8.484 24.838 -11.408 11 HA MET 3 HA MET 3 -7.271 25.528 -9.738 12 HB3 MET 3 2HB MET 3 -7.874 25.018 -7.406 13 HG3 MET 3 2HG MET 3 -10.225 25.547 -9.265 14 HE1 MET 3 3HE MET 3 -8.977 27.715 -6.253 15 HE2 MET 3 1HE MET 3 -10.042 27.181 -4.936 16 HE3 MET 3 2HE MET 3 -8.779 26.092 -5.538 17 H ASN 4 H ASN 4 -5.589 24.994 -8.124 18 HA ASN 4 HA ASN 4 -3.904 22.923 -9.308 19 HB3 ASN 4 2HB ASN 4 -2.377 23.805 -7.337 20 HD21 ASN 4 1HD2 ASN 4 -3.449 26.770 -8.896 21 HD22 ASN 4 2HD2 ASN 4 -2.256 26.703 -10.182 22 H LEU 5 H LEU 5 -2.768 21.305 -7.919 23 HA LEU 5 HA LEU 5 -4.717 19.628 -6.654 24 HB3 LEU 5 2HB LEU 5 -1.684 19.435 -6.593 25 HG LEU 5 HG LEU 5 -2.891 17.692 -5.197 26 HD11 LEU 5 1HD1 LEU 5 -4.011 15.820 -6.342 27 HD12 LEU 5 2HD1 LEU 5 -3.897 16.671 -7.881 28 HD13 LEU 5 3HD1 LEU 5 -4.925 17.311 -6.571 29 HD21 LEU 5 3HD2 LEU 5 -0.660 17.360 -6.117 30 HD22 LEU 5 1HD2 LEU 5 -1.375 16.725 -7.634 31 HD23 LEU 5 2HD2 LEU 5 -1.580 15.844 -6.096 32 H THR 6 H THR 6 -4.723 18.838 -4.435 33 HA THR 6 HA THR 6 -3.818 20.770 -2.412 34 HB THR 6 HB THR 6 -5.975 20.282 -1.871 35 HG1 THR 6 1HG THR 6 -6.044 18.857 -0.218 36 HG21 THR 6 3HG2 THR 6 -5.636 17.456 -2.910 37 HG22 THR 6 1HG2 THR 6 -6.652 18.737 -3.596 38 HG23 THR 6 2HG2 THR 6 -7.080 18.023 -2.044 39 HA PRO 7 HA PRO 7 -0.315 18.136 -1.526 40 HB3 PRO 7 2HB PRO 7 0.506 19.757 -0.075 41 HG3 PRO 7 2HG PRO 7 -0.966 21.084 1.226 42 HD3 PRO 7 2HD PRO 7 -1.821 21.265 -0.975 43 H GLU 8 H GLU 8 -3.415 17.854 0.158 44 HA GLU 8 HA GLU 8 -2.702 15.541 1.731 45 HB3 GLU 8 2HB GLU 8 -5.067 15.450 2.242 46 HG3 GLU 8 2HG GLU 8 -4.314 18.400 1.908 47 H GLU 9 H GLU 9 -4.199 16.053 -1.493 48 HA GLU 9 HA GLU 9 -4.745 13.270 -1.940 49 HB3 GLU 9 2HB GLU 9 -4.602 15.611 -3.899 50 HG3 GLU 9 2HG GLU 9 -5.648 12.844 -4.029 51 H ARG 10 H ARG 10 -1.922 15.280 -2.279 52 HA ARG 10 HA ARG 10 -0.504 13.319 -3.988 53 HB3 ARG 10 2HB ARG 10 0.460 15.787 -2.488 54 HG3 ARG 10 2HG ARG 10 1.873 14.067 -4.588 55 HD3 ARG 10 2HD ARG 10 2.338 16.845 -3.510 56 HE ARG 10 HE ARG 10 4.397 14.948 -4.150 57 HH11 ARG 10 1HH1 ARG 10 3.501 18.379 -4.418 58 HH12 ARG 10 2HH1 ARG 10 5.149 18.953 -4.271 59 HH21 ARG 10 1HH2 ARG 10 6.526 15.722 -4.003 60 HH22 ARG 10 2HH2 ARG 10 6.862 17.415 -3.880 61 H ASP 11 H ASP 11 -0.903 14.073 -0.522 62 HA ASP 11 HA ASP 11 1.158 12.260 0.389 63 HB3 ASP 11 2HB ASP 11 -0.930 12.434 2.340 64 H ALA 12 H ALA 12 -2.305 12.017 -0.237 65 HA ALA 12 HA ALA 12 -2.848 9.390 0.457 66 HB1 ALA 12 1HB ALA 12 -4.040 11.053 -1.802 67 HB2 ALA 12 2HB ALA 12 -4.834 9.718 -0.962 68 HB3 ALA 12 3HB ALA 12 -4.464 11.205 -0.075 69 H ARG 13 H ARG 13 -0.625 10.134 -1.955 70 HA ARG 13 HA ARG 13 -1.200 8.165 -3.999 71 HB3 ARG 13 2HB ARG 13 1.417 8.232 -4.194 72 HG3 ARG 13 2HG ARG 13 -0.278 10.708 -4.634 73 HD3 ARG 13 2HD ARG 13 2.586 9.976 -5.369 74 HE ARG 13 HE ARG 13 0.818 11.510 -7.030 75 HH11 ARG 13 1HH1 ARG 13 3.966 11.888 -5.451 76 HH12 ARG 13 2HH1 ARG 13 4.620 12.873 -6.708 77 HH21 ARG 13 1HH2 ARG 13 1.828 12.570 -8.876 78 HH22 ARG 13 2HH2 ARG 13 3.462 13.110 -8.732 79 H THR 14 H THR 14 0.093 7.889 -0.715 80 HA THR 14 HA THR 14 1.282 5.279 -1.330 81 HB THR 14 HB THR 14 1.029 6.799 1.276 82 HG1 THR 14 1HG THR 14 2.919 7.780 0.726 83 HG21 THR 14 3HG2 THR 14 2.977 5.562 2.005 84 HG22 THR 14 1HG2 THR 14 3.146 4.788 0.422 85 HG23 THR 14 2HG2 THR 14 1.746 4.395 1.443 86 H VAL 15 H VAL 15 0.496 3.314 -0.642 87 HA VAL 15 HA VAL 15 -2.267 3.303 0.476 88 HB VAL 15 HB VAL 15 -2.429 1.130 -0.861 89 HG11 VAL 15 1HG1 VAL 15 -3.599 3.284 -1.454 90 HG12 VAL 15 2HG1 VAL 15 -2.269 3.696 -2.513 91 HG13 VAL 15 3HG1 VAL 15 -3.268 2.247 -2.853 92 HG21 VAL 15 3HG2 VAL 15 -0.268 2.406 -2.603 93 HG22 VAL 15 1HG2 VAL 15 0.048 1.096 -1.478 94 HG23 VAL 15 2HG2 VAL 15 -1.065 0.846 -2.832 95 H PHE 16 H PHE 16 -2.428 2.471 2.329 96 HA PHE 16 HA PHE 16 -0.355 1.079 3.713 97 HB3 PHE 16 2HB PHE 16 -3.304 1.533 4.360 98 HD1 PHE 16 2HD PHE 16 0.015 0.395 5.742 99 HD2 PHE 16 1HD PHE 16 -4.171 1.135 6.575 100 HE1 PHE 16 2HE PHE 16 0.227 -0.801 7.858 101 HE2 PHE 16 1HE PHE 16 -3.916 0.009 8.746 102 HZ PHE 16 HZ PHE 16 -1.705 -1.001 9.384 103 H CYS 17 H CYS 17 -0.071 -1.066 3.988 104 HA CYS 17 HA CYS 17 -2.144 -3.016 3.128 105 HB3 CYS 17 2HB CYS 17 -0.318 -4.484 2.516 106 HG CYS 17 HG CYS 17 0.333 -1.413 1.434 107 H MET 18 H MET 18 -2.766 -4.328 4.877 108 HA MET 18 HA MET 18 -1.138 -4.341 7.367 109 HB3 MET 18 2HB MET 18 -4.121 -3.826 7.400 110 HG3 MET 18 2HG MET 18 -1.906 -3.370 9.428 111 HE1 MET 18 3HE MET 18 -6.391 -2.727 10.394 112 HE2 MET 18 1HE MET 18 -5.864 -3.050 8.730 113 HE3 MET 18 2HE MET 18 -5.647 -4.291 9.992 114 H GLN 19 H GLN 19 -1.484 -6.444 5.329 115 HA GLN 19 HA GLN 19 -2.948 -8.530 6.818 116 HB3 GLN 19 2HB GLN 19 -3.865 -7.895 3.997 117 HG3 GLN 19 2HG GLN 19 -5.288 -8.959 6.495 118 HE21 GLN 19 1HE2 GLN 19 -5.674 -8.491 2.901 119 HE22 GLN 19 2HE2 GLN 19 -7.383 -8.161 2.996 120 H LEU 20 H LEU 20 -0.181 -7.919 5.603 121 HA LEU 20 HA LEU 20 0.016 -9.418 3.178 122 HB3 LEU 20 2HB LEU 20 2.467 -9.103 3.402 123 HG LEU 20 HG LEU 20 0.891 -6.613 4.210 124 HD11 LEU 20 1HD1 LEU 20 3.743 -6.803 3.171 125 HD12 LEU 20 2HD1 LEU 20 3.265 -6.326 4.808 126 HD13 LEU 20 3HD1 LEU 20 2.808 -5.317 3.435 127 HD21 LEU 20 3HD2 LEU 20 0.155 -7.498 2.106 128 HD22 LEU 20 1HD2 LEU 20 1.809 -7.738 1.547 129 HD23 LEU 20 2HD2 LEU 20 1.170 -6.096 1.780 130 H ALA 21 H ALA 21 1.329 -11.338 2.769 131 HA ALA 21 HA ALA 21 0.696 -13.458 4.555 132 HB1 ALA 21 1HB ALA 21 2.664 -13.438 2.253 133 HB2 ALA 21 2HB ALA 21 2.096 -14.880 3.113 134 HB3 ALA 21 3HB ALA 21 0.941 -13.920 2.186 135 H ALA 22 H ALA 22 2.093 -14.694 5.827 136 HA ALA 22 HA ALA 22 3.664 -13.320 7.560 137 HB1 ALA 22 1HB ALA 22 2.631 -15.455 8.080 138 HB2 ALA 22 2HB ALA 22 3.712 -16.303 6.959 139 HB3 ALA 22 3HB ALA 22 4.363 -15.555 8.439 140 H ARG 23 H ARG 23 4.871 -14.823 4.599 141 HA ARG 23 HA ARG 23 7.575 -13.689 5.194 142 HB3 ARG 23 2HB ARG 23 8.569 -15.399 3.747 143 HG3 ARG 23 2HG ARG 23 7.101 -16.896 5.911 144 HD3 ARG 23 2HD ARG 23 9.239 -18.034 6.191 145 HE ARG 23 HE ARG 23 7.827 -18.294 3.855 146 HH11 ARG 23 1HH1 ARG 23 11.257 -18.925 4.726 147 HH12 ARG 23 2HH1 ARG 23 11.611 -19.681 3.238 148 HH21 ARG 23 1HH2 ARG 23 8.379 -19.253 1.838 149 HH22 ARG 23 2HH2 ARG 23 9.953 -19.929 1.619 150 H ILE 24 H ILE 24 5.880 -11.887 4.191 151 HA ILE 24 HA ILE 24 5.639 -11.902 1.378 152 HB ILE 24 HB ILE 24 4.412 -10.426 2.929 153 HG13 ILE 24 2HG1 ILE 24 5.917 -8.835 0.802 154 HG21 ILE 24 1HG2 ILE 24 5.381 -8.407 3.847 155 HG22 ILE 24 2HG2 ILE 24 6.232 -9.819 4.485 156 HG23 ILE 24 3HG2 ILE 24 6.983 -8.825 3.209 157 HD11 ILE 24 3HD1 ILE 24 4.667 -10.744 -0.199 158 HD12 ILE 24 1HD1 ILE 24 3.247 -10.277 0.771 159 HD13 ILE 24 2HD1 ILE 24 3.844 -9.204 -0.507 160 H ARG 25 H ARG 25 6.897 -10.339 -0.056 161 HA ARG 25 HA ARG 25 9.823 -10.331 0.501 162 HB3 ARG 25 2HB ARG 25 9.691 -10.483 -2.241 163 HG3 ARG 25 2HG ARG 25 9.798 -12.952 -0.453 164 HD3 ARG 25 2HD ARG 25 10.138 -12.457 -3.354 165 HE ARG 25 HE ARG 25 12.534 -12.874 -2.126 166 HH11 ARG 25 1HH1 ARG 25 10.567 -14.755 -4.460 167 HH12 ARG 25 2HH1 ARG 25 11.946 -15.331 -5.324 168 HH21 ARG 25 1HH2 ARG 25 14.288 -13.782 -3.148 169 HH22 ARG 25 2HH2 ARG 25 14.152 -14.621 -4.664 170 HA PRO 26 HA PRO 26 9.264 -6.092 -0.532 171 HB3 PRO 26 2HB PRO 26 11.474 -5.754 0.035 172 HG3 PRO 26 2HG PRO 26 13.189 -7.266 -0.636 173 HD3 PRO 26 2HD PRO 26 11.577 -8.605 0.458 174 H ARG 27 H ARG 27 10.337 -8.211 -3.225 175 HA ARG 27 HA ARG 27 9.449 -6.452 -5.313 176 HB3 ARG 27 2HB ARG 27 9.596 -9.467 -5.611 177 HG3 ARG 27 2HG ARG 27 10.408 -7.094 -7.354 178 HD3 ARG 27 2HD ARG 27 10.976 -8.799 -9.083 179 HE ARG 27 HE ARG 27 12.593 -8.677 -6.601 180 HH11 ARG 27 1HH1 ARG 27 12.671 -9.043 -10.193 181 HH12 ARG 27 2HH1 ARG 27 14.400 -8.869 -10.188 182 HH21 ARG 27 1HH2 ARG 27 14.768 -8.561 -6.730 183 HH22 ARG 27 2HH2 ARG 27 15.621 -8.775 -8.235 184 H ASP 28 H ASP 28 7.853 -9.044 -3.480 185 HA ASP 28 HA ASP 28 5.691 -9.627 -5.113 186 HB3 ASP 28 2HB ASP 28 4.491 -9.927 -2.727 187 H LEU 29 H LEU 29 6.083 -6.993 -2.829 188 HA LEU 29 HA LEU 29 3.352 -6.103 -2.806 189 HB3 LEU 29 2HB LEU 29 4.376 -4.063 -1.721 190 HG LEU 29 HG LEU 29 5.423 -6.723 -0.634 191 HD11 LEU 29 1HD1 LEU 29 5.549 -5.591 1.507 192 HD12 LEU 29 2HD1 LEU 29 5.027 -4.052 0.770 193 HD13 LEU 29 3HD1 LEU 29 6.586 -4.785 0.322 194 HD21 LEU 29 3HD2 LEU 29 2.834 -5.184 -0.169 195 HD22 LEU 29 1HD2 LEU 29 3.442 -6.454 0.897 196 HD23 LEU 29 2HD2 LEU 29 3.018 -6.852 -0.771 197 H GLU 30 H GLU 30 6.309 -4.976 -4.577 198 HA GLU 30 HA GLU 30 4.798 -2.825 -5.768 199 HB3 GLU 30 2HB GLU 30 7.095 -2.384 -5.468 200 HG3 GLU 30 2HG GLU 30 7.695 -4.885 -7.083 201 H GLU 31 H GLU 31 5.698 -6.154 -6.718 202 HA GLU 31 HA GLU 31 4.766 -5.930 -9.399 203 HB3 GLU 31 2HB GLU 31 4.608 -8.495 -9.191 204 HG3 GLU 31 2HG GLU 31 7.042 -8.832 -8.616 205 H PHE 32 H PHE 32 2.982 -6.418 -6.415 206 HA PHE 32 HA PHE 32 0.582 -7.476 -7.599 207 HB3 PHE 32 2HB PHE 32 0.834 -5.673 -5.182 208 HD1 PHE 32 2HD PHE 32 -1.390 -7.872 -7.252 209 HD2 PHE 32 1HD PHE 32 -0.974 -5.751 -3.504 210 HE1 PHE 32 2HE PHE 32 -3.746 -8.066 -6.923 211 HE2 PHE 32 1HE PHE 32 -3.397 -5.996 -3.146 212 HZ PHE 32 HZ PHE 32 -4.815 -7.178 -4.834 213 H PHE 33 H PHE 33 1.884 -4.205 -7.294 214 HA PHE 33 HA PHE 33 -0.613 -3.045 -8.412 215 HB3 PHE 33 2HB PHE 33 0.575 -0.920 -7.807 216 HD1 PHE 33 2HD PHE 33 -1.941 -2.392 -6.797 217 HD2 PHE 33 1HD PHE 33 1.756 -1.294 -4.807 218 HE1 PHE 33 2HE PHE 33 -3.097 -2.346 -4.669 219 HE2 PHE 33 1HE PHE 33 0.538 -1.242 -2.669 220 HZ PHE 33 HZ PHE 33 -1.888 -1.671 -2.592 221 H SER 34 H SER 34 2.876 -3.411 -9.219 222 HA SER 34 HA SER 34 2.857 -1.509 -11.284 223 HB3 SER 34 2HB SER 34 4.646 -3.938 -11.342 224 HG SER 34 HG SER 34 5.627 -1.365 -11.439 225 H THR 35 H THR 35 1.397 -4.640 -11.222 226 HA THR 35 HA THR 35 1.466 -4.936 -14.145 227 HB THR 35 HB THR 35 1.630 -6.833 -12.558 228 HG1 THR 35 1HG THR 35 -0.365 -6.791 -14.521 229 HG21 THR 35 3HG2 THR 35 -0.370 -7.835 -11.610 230 HG22 THR 35 1HG2 THR 35 -1.362 -6.477 -12.178 231 HG23 THR 35 2HG2 THR 35 -0.109 -6.218 -10.939 232 H VAL 36 H VAL 36 -0.268 -2.896 -12.123 233 HA VAL 36 HA VAL 36 -2.221 -2.351 -14.252 234 HB VAL 36 HB VAL 36 -4.012 -2.031 -12.559 235 HG11 VAL 36 1HG1 VAL 36 -3.902 -4.095 -13.939 236 HG12 VAL 36 2HG1 VAL 36 -3.078 -4.918 -12.603 237 HG13 VAL 36 3HG1 VAL 36 -4.722 -4.307 -12.387 238 HG21 VAL 36 3HG2 VAL 36 -3.913 -3.078 -10.355 239 HG22 VAL 36 1HG2 VAL 36 -2.226 -3.570 -10.614 240 HG23 VAL 36 2HG2 VAL 36 -2.658 -1.848 -10.492 241 H GLY 37 H GLY 37 0.371 -1.100 -12.959 242 HA2 GLY 37 1HA GLY 37 -0.355 1.629 -12.666 243 HA3 GLY 37 2HA GLY 37 -0.346 0.812 -11.086 244 H LYS 38 H LYS 38 1.638 2.104 -10.470 245 HA LYS 38 HA LYS 38 4.039 0.606 -11.074 246 HB3 LYS 38 2HB LYS 38 3.931 3.574 -11.705 247 HG3 LYS 38 2HG LYS 38 6.227 1.598 -11.999 248 HD3 LYS 38 2HD LYS 38 5.543 4.269 -13.243 249 HE3 LYS 38 2HE LYS 38 7.857 4.420 -12.102 250 HZ1 LYS 38 3HZ LYS 38 9.564 3.471 -13.662 251 HZ2 LYS 38 1HZ LYS 38 8.421 2.466 -14.264 252 HZ3 LYS 38 2HZ LYS 38 8.890 2.349 -12.696 253 H VAL 39 H VAL 39 5.552 0.913 -9.379 254 HA VAL 39 HA VAL 39 4.506 2.404 -7.025 255 HB VAL 39 HB VAL 39 6.086 -0.171 -7.326 256 HG11 VAL 39 1HG1 VAL 39 7.038 1.009 -5.431 257 HG12 VAL 39 2HG1 VAL 39 5.421 1.419 -4.837 258 HG13 VAL 39 3HG1 VAL 39 5.995 -0.285 -4.839 259 HG21 VAL 39 3HG2 VAL 39 4.007 -0.942 -5.969 260 HG22 VAL 39 1HG2 VAL 39 3.285 0.599 -6.401 261 HG23 VAL 39 2HG2 VAL 39 3.754 -0.547 -7.674 262 H ARG 40 H ARG 40 5.600 4.011 -6.234 263 HA ARG 40 HA ARG 40 8.098 4.899 -7.471 264 HB3 ARG 40 2HB ARG 40 6.424 6.019 -5.169 265 HG3 ARG 40 2HG ARG 40 8.711 7.010 -5.264 266 HD3 ARG 40 2HD ARG 40 7.803 7.665 -8.096 267 HE ARG 40 HE ARG 40 8.628 9.661 -6.733 268 HH11 ARG 40 1HH1 ARG 40 11.156 7.541 -7.928 269 HH12 ARG 40 2HH1 ARG 40 12.121 8.812 -8.643 270 HH21 ARG 40 1HH2 ARG 40 9.758 11.331 -7.828 271 HH22 ARG 40 2HH2 ARG 40 11.392 11.064 -8.347 272 H ASP 41 H ASP 41 6.995 3.714 -4.207 273 HA ASP 41 HA ASP 41 9.604 2.627 -3.684 274 HB3 ASP 41 2HB ASP 41 8.566 4.876 -1.895 275 H VAL 42 H VAL 42 9.502 1.463 -1.493 276 HA VAL 42 HA VAL 42 6.802 0.833 -0.568 277 HB VAL 42 HB VAL 42 6.902 -0.711 -2.332 278 HG11 VAL 42 1HG1 VAL 42 9.696 -1.596 -1.549 279 HG12 VAL 42 2HG1 VAL 42 8.666 -2.312 -2.812 280 HG13 VAL 42 3HG1 VAL 42 9.246 -0.668 -3.000 281 HG21 VAL 42 3HG2 VAL 42 7.849 -2.318 0.069 282 HG22 VAL 42 1HG2 VAL 42 6.202 -1.698 -0.145 283 HG23 VAL 42 2HG2 VAL 42 6.866 -2.867 -1.290 284 H ARG 43 H ARG 43 6.863 0.757 1.612 285 HA ARG 43 HA ARG 43 9.476 0.220 2.917 286 HB3 ARG 43 2HB ARG 43 7.637 2.421 3.899 287 HG3 ARG 43 2HG ARG 43 10.502 1.549 4.257 288 HD3 ARG 43 2HD ARG 43 11.213 3.813 4.924 289 HE ARG 43 HE ARG 43 10.380 4.087 2.077 290 HH11 ARG 43 1HH1 ARG 43 13.022 3.258 4.337 291 HH12 ARG 43 2HH1 ARG 43 14.165 3.044 3.050 292 HH21 ARG 43 1HH2 ARG 43 11.841 3.719 0.480 293 HH22 ARG 43 2HH2 ARG 43 13.481 3.234 0.771 294 H MET 44 H MET 44 9.197 -1.606 3.942 295 HA MET 44 HA MET 44 6.560 -2.357 5.084 296 HB3 MET 44 2HB MET 44 7.508 -4.589 5.252 297 HG3 MET 44 2HG MET 44 7.061 -3.303 2.738 298 HE1 MET 44 3HE MET 44 10.732 -3.167 1.359 299 HE2 MET 44 1HE MET 44 9.286 -2.250 1.819 300 HE3 MET 44 2HE MET 44 10.326 -2.944 3.079 301 H ILE 45 H ILE 45 6.345 -2.627 7.230 302 HA ILE 45 HA ILE 45 8.645 -1.898 8.991 303 HB ILE 45 HB ILE 45 5.724 -2.189 9.756 304 HG13 ILE 45 2HG1 ILE 45 7.303 0.190 8.780 305 HG21 ILE 45 1HG2 ILE 45 7.332 -2.585 11.619 306 HG22 ILE 45 2HG2 ILE 45 8.094 -1.023 11.263 307 HG23 ILE 45 3HG2 ILE 45 6.420 -1.088 11.843 308 HD11 ILE 45 3HD1 ILE 45 5.378 -0.639 7.410 309 HD12 ILE 45 1HD1 ILE 45 4.311 -0.476 8.825 310 HD13 ILE 45 2HD1 ILE 45 5.061 0.961 8.081 311 H SER 46 H SER 46 9.729 -3.871 8.438 312 HA SER 46 HA SER 46 8.587 -6.281 9.763 313 HB3 SER 46 2HB SER 46 10.604 -7.371 8.436 314 HG SER 46 HG SER 46 8.948 -7.157 6.537 315 H ASP 47 H ASP 47 10.255 -3.789 10.648 316 HA ASP 47 HA ASP 47 12.200 -5.129 12.418 317 HB3 ASP 47 2HB ASP 47 12.225 -2.916 13.577 318 H ARG 48 H ARG 48 11.620 -5.667 14.573 319 HA ARG 48 HA ARG 48 9.245 -4.614 15.688 320 HB3 ARG 48 2HB ARG 48 7.957 -6.271 14.907 321 HG3 ARG 48 2HG ARG 48 9.675 -7.743 14.087 322 HD3 ARG 48 2HD ARG 48 10.024 -8.414 17.011 323 HE ARG 48 HE ARG 48 9.283 -10.520 16.230 324 HH11 ARG 48 1HH1 ARG 48 12.528 -9.594 15.079 325 HH12 ARG 48 2HH1 ARG 48 13.014 -11.213 14.778 326 HH21 ARG 48 1HH2 ARG 48 9.791 -12.541 15.566 327 HH22 ARG 48 2HH2 ARG 48 11.355 -12.975 14.949 328 H ASN 49 H ASN 49 9.151 -5.223 18.081 329 HA ASN 49 HA ASN 49 11.919 -5.743 19.111 330 HB3 ASN 49 2HB ASN 49 11.236 -4.337 21.037 331 HD21 ASN 49 1HD2 ASN 49 9.749 -2.282 18.643 332 HD22 ASN 49 2HD2 ASN 49 11.213 -1.610 17.995 333 H SER 50 H SER 50 8.811 -7.049 18.914 334 HA SER 50 HA SER 50 9.815 -9.324 20.276 335 HB3 SER 50 2HB SER 50 7.241 -8.229 21.492 336 HG SER 50 HG SER 50 9.122 -10.149 22.433 337 H ARG 51 H ARG 51 6.498 -7.948 19.388 338 HA ARG 51 HA ARG 51 6.259 -9.811 17.213 339 HB3 ARG 51 2HB ARG 51 4.111 -9.561 19.362 340 HG3 ARG 51 2HG ARG 51 4.548 -11.884 17.433 341 HD3 ARG 51 2HD ARG 51 1.903 -11.736 17.674 342 HE ARG 51 HE ARG 51 3.618 -13.460 18.859 343 HH11 ARG 51 1HH1 ARG 51 0.655 -11.851 19.996 344 HH12 ARG 51 2HH1 ARG 51 0.201 -13.127 21.091 345 HH21 ARG 51 1HH2 ARG 51 2.869 -15.277 20.135 346 HH22 ARG 51 2HH2 ARG 51 1.373 -15.177 20.973 347 H ARG 52 H ARG 52 4.251 -8.938 16.019 348 HA ARG 52 HA ARG 52 3.108 -6.452 16.659 349 HB3 ARG 52 2HB ARG 52 4.566 -5.919 14.132 350 HG3 ARG 52 2HG ARG 52 4.469 -4.499 16.836 351 HD3 ARG 52 2HD ARG 52 5.462 -3.646 14.103 352 HE ARG 52 HE ARG 52 3.643 -2.107 15.556 353 HH11 ARG 52 1HH1 ARG 52 7.088 -1.457 14.872 354 HH12 ARG 52 2HH1 ARG 52 6.775 0.224 14.570 355 HH21 ARG 52 1HH2 ARG 52 3.299 0.108 14.972 356 HH22 ARG 52 2HH2 ARG 52 4.718 1.084 14.740 357 H SER 53 H SER 53 1.818 -5.737 14.341 358 HA SER 53 HA SER 53 0.318 -7.977 13.538 359 HB3 SER 53 2HB SER 53 0.179 -6.260 11.355 360 HG SER 53 HG SER 53 -1.522 -7.126 12.641 361 H LYS 54 H LYS 54 3.429 -6.884 12.285 362 HA LYS 54 HA LYS 54 4.856 -7.776 10.851 363 HB3 LYS 54 2HB LYS 54 4.968 -9.348 12.671 364 HG3 LYS 54 2HG LYS 54 2.975 -10.609 10.972 365 HD3 LYS 54 2HD LYS 54 3.784 -12.921 11.917 366 HE3 LYS 54 2HE LYS 54 3.711 -12.003 9.518 367 HZ1 LYS 54 3HZ LYS 54 6.015 -12.218 8.512 368 HZ2 LYS 54 1HZ LYS 54 6.577 -11.734 9.989 369 HZ3 LYS 54 2HZ LYS 54 5.542 -10.768 9.162 370 H GLY 55 H GLY 55 1.887 -7.560 9.616 371 HA2 GLY 55 1HA GLY 55 3.162 -8.115 7.004 372 HA3 GLY 55 2HA GLY 55 1.477 -8.576 7.313 373 H ILE 56 H ILE 56 3.579 -5.737 8.022 374 HA ILE 56 HA ILE 56 1.436 -3.950 7.035 375 HB ILE 56 HB ILE 56 2.388 -2.310 8.778 376 HG13 ILE 56 2HG1 ILE 56 4.308 -3.877 9.433 377 HG21 ILE 56 1HG2 ILE 56 0.722 -3.140 10.428 378 HG22 ILE 56 2HG2 ILE 56 0.144 -3.180 8.767 379 HG23 ILE 56 3HG2 ILE 56 0.648 -4.692 9.549 380 HD11 ILE 56 3HD1 ILE 56 2.546 -3.031 11.770 381 HD12 ILE 56 1HD1 ILE 56 4.293 -3.294 11.773 382 HD13 ILE 56 2HD1 ILE 56 3.608 -1.931 10.858 383 H ALA 57 H ALA 57 1.934 -2.504 5.558 384 HA ALA 57 HA ALA 57 4.617 -1.395 5.309 385 HB1 ALA 57 1HB ALA 57 4.737 -3.467 3.866 386 HB2 ALA 57 2HB ALA 57 3.336 -2.863 2.943 387 HB3 ALA 57 3HB ALA 57 4.861 -1.964 2.924 388 H TYR 58 H TYR 58 4.611 0.515 3.991 389 HA TYR 58 HA TYR 58 1.999 1.388 2.822 390 HB3 TYR 58 2HB TYR 58 2.605 3.676 3.308 391 HD1 TYR 58 1HD TYR 58 4.044 2.036 6.287 392 HD2 TYR 58 2HD TYR 58 0.508 3.644 4.421 393 HE1 TYR 58 1HE TYR 58 2.846 1.819 8.407 394 HE2 TYR 58 2HE TYR 58 -0.686 3.555 6.566 395 HH TYR 58 HH TYR 58 -0.638 2.871 8.711 396 H VAL 59 H VAL 59 2.195 1.896 0.674 397 HA VAL 59 HA VAL 59 4.858 1.986 -0.559 398 HB VAL 59 HB VAL 59 4.586 -0.224 -0.498 399 HG11 VAL 59 1HG1 VAL 59 2.629 -1.555 -1.117 400 HG12 VAL 59 2HG1 VAL 59 2.297 -0.522 0.271 401 HG13 VAL 59 3HG1 VAL 59 1.709 -0.057 -1.338 402 HG21 VAL 59 3HG2 VAL 59 3.332 0.440 -3.182 403 HG22 VAL 59 1HG2 VAL 59 5.050 0.570 -2.788 404 HG23 VAL 59 2HG2 VAL 59 4.261 -1.014 -2.768 405 H GLU 60 H GLU 60 5.152 3.650 -1.694 406 HA GLU 60 HA GLU 60 2.992 5.507 -2.237 407 HB3 GLU 60 2HB GLU 60 5.952 5.678 -2.874 408 HG3 GLU 60 2HG GLU 60 3.750 7.799 -2.724 409 H PHE 61 H PHE 61 1.759 5.581 -4.086 410 HA PHE 61 HA PHE 61 2.584 4.094 -6.444 411 HB3 PHE 61 2HB PHE 61 0.568 5.666 -7.333 412 HD1 PHE 61 1HD PHE 61 0.859 3.579 -8.578 413 HD2 PHE 61 2HD PHE 61 -0.822 3.707 -4.607 414 HE1 PHE 61 1HE PHE 61 0.018 1.254 -8.856 415 HE2 PHE 61 2HE PHE 61 -1.765 1.417 -4.943 416 HZ PHE 61 HZ PHE 61 -1.282 0.205 -7.071 417 H VAL 62 H VAL 62 3.060 4.927 -8.459 418 HA VAL 62 HA VAL 62 4.368 7.533 -8.630 419 HB VAL 62 HB VAL 62 3.689 5.330 -10.623 420 HG11 VAL 62 1HG1 VAL 62 5.374 7.800 -11.144 421 HG12 VAL 62 2HG1 VAL 62 5.121 6.430 -12.248 422 HG13 VAL 62 3HG1 VAL 62 3.771 7.487 -11.862 423 HG21 VAL 62 3HG2 VAL 62 5.381 4.586 -9.166 424 HG22 VAL 62 1HG2 VAL 62 6.176 5.114 -10.652 425 HG23 VAL 62 2HG2 VAL 62 6.232 6.153 -9.223 426 H ASP 63 H ASP 63 1.020 6.418 -8.919 427 HA ASP 63 HA ASP 63 0.204 9.047 -10.011 428 HB3 ASP 63 2HB ASP 63 -0.781 6.315 -10.873 429 H VAL 64 H VAL 64 -1.402 9.857 -8.861 430 HA VAL 64 HA VAL 64 -2.540 8.725 -6.494 431 HB VAL 64 HB VAL 64 -2.220 11.099 -6.899 432 HG11 VAL 64 1HG1 VAL 64 -3.661 12.433 -8.364 433 HG12 VAL 64 2HG1 VAL 64 -2.726 11.275 -9.312 434 HG13 VAL 64 3HG1 VAL 64 -4.442 10.970 -8.973 435 HG21 VAL 64 3HG2 VAL 64 -4.280 12.014 -6.066 436 HG22 VAL 64 1HG2 VAL 64 -5.173 10.543 -6.515 437 HG23 VAL 64 2HG2 VAL 64 -3.915 10.481 -5.257 438 H SER 65 H SER 65 -3.479 8.542 -9.931 439 HA SER 65 HA SER 65 -6.203 7.801 -9.365 440 HB3 SER 65 2HB SER 65 -6.429 7.479 -11.708 441 HG SER 65 HG SER 65 -4.329 9.356 -11.614 442 H SER 66 H SER 66 -3.212 5.842 -9.359 443 HA SER 66 HA SER 66 -4.715 3.347 -9.660 444 HB3 SER 66 2HB SER 66 -2.709 2.272 -9.199 445 HG SER 66 HG SER 66 -2.822 3.593 -11.212 446 H VAL 67 H VAL 67 -4.368 5.660 -7.120 447 HA VAL 67 HA VAL 67 -3.934 3.951 -4.906 448 HB VAL 67 HB VAL 67 -5.320 6.635 -5.126 449 HG11 VAL 67 1HG1 VAL 67 -6.132 5.475 -3.097 450 HG12 VAL 67 2HG1 VAL 67 -4.440 5.248 -2.577 451 HG13 VAL 67 3HG1 VAL 67 -5.120 6.876 -2.768 452 HG21 VAL 67 3HG2 VAL 67 -2.847 6.508 -5.700 453 HG22 VAL 67 1HG2 VAL 67 -3.270 7.539 -4.331 454 HG23 VAL 67 2HG2 VAL 67 -2.576 5.929 -4.042 455 HA PRO 68 HA PRO 68 -8.640 3.481 -4.360 456 HB3 PRO 68 2HB PRO 68 -9.910 5.224 -5.057 457 HG3 PRO 68 2HG PRO 68 -9.322 6.481 -7.006 458 HD3 PRO 68 2HD PRO 68 -7.448 6.404 -5.540 459 H LEU 69 H LEU 69 -7.062 2.715 -7.381 460 HA LEU 69 HA LEU 69 -8.563 0.485 -8.268 461 HB3 LEU 69 2HB LEU 69 -5.552 0.528 -8.383 462 HG LEU 69 HG LEU 69 -7.636 0.117 -10.555 463 HD11 LEU 69 1HD1 LEU 69 -5.649 -0.310 -11.990 464 HD12 LEU 69 2HD1 LEU 69 -4.582 0.049 -10.629 465 HD13 LEU 69 3HD1 LEU 69 -5.611 1.317 -11.328 466 HD21 LEU 69 3HD2 LEU 69 -7.506 -1.905 -9.218 467 HD22 LEU 69 1HD2 LEU 69 -5.730 -1.818 -9.168 468 HD23 LEU 69 2HD2 LEU 69 -6.580 -2.189 -10.689 469 H ALA 70 H ALA 70 -5.940 0.764 -5.808 470 HA ALA 70 HA ALA 70 -5.637 -1.927 -5.215 471 HB1 ALA 70 1HB ALA 70 -5.519 0.369 -3.220 472 HB2 ALA 70 2HB ALA 70 -4.686 -1.196 -3.094 473 HB3 ALA 70 3HB ALA 70 -4.219 -0.057 -4.377 474 H ILE 71 H ILE 71 -8.248 0.218 -3.974 475 HA ILE 71 HA ILE 71 -9.258 -1.557 -1.989 476 HB ILE 71 HB ILE 71 -10.457 0.697 -3.623 477 HG13 ILE 71 2HG1 ILE 71 -8.768 0.845 -1.563 478 HG21 ILE 71 1HG2 ILE 71 -11.956 -0.854 -1.474 479 HG22 ILE 71 2HG2 ILE 71 -12.478 0.667 -2.223 480 HG23 ILE 71 3HG2 ILE 71 -12.348 -0.807 -3.196 481 HD11 ILE 71 3HD1 ILE 71 -9.746 2.955 -0.828 482 HD12 ILE 71 1HD1 ILE 71 -9.983 2.846 -2.587 483 HD13 ILE 71 2HD1 ILE 71 -11.332 2.521 -1.480 484 H GLY 72 H GLY 72 -9.872 -1.320 -5.532 485 HA2 GLY 72 1HA GLY 72 -11.991 -3.212 -5.638 486 HA3 GLY 72 2HA GLY 72 -10.928 -2.712 -6.964 487 H LEU 73 H LEU 73 -8.756 -3.797 -4.716 488 HA LEU 73 HA LEU 73 -8.815 -6.594 -5.740 489 HB3 LEU 73 2HB LEU 73 -6.498 -6.589 -5.826 490 HG LEU 73 HG LEU 73 -7.414 -3.985 -7.077 491 HD11 LEU 73 1HD1 LEU 73 -4.800 -5.505 -7.479 492 HD12 LEU 73 2HD1 LEU 73 -4.981 -3.921 -6.694 493 HD13 LEU 73 3HD1 LEU 73 -5.350 -4.105 -8.415 494 HD21 LEU 73 3HD2 LEU 73 -7.454 -5.274 -9.115 495 HD22 LEU 73 1HD2 LEU 73 -8.463 -6.114 -7.929 496 HD23 LEU 73 2HD2 LEU 73 -6.833 -6.721 -8.282 497 H THR 74 H THR 74 -9.558 -5.014 -2.925 498 HA THR 74 HA THR 74 -7.975 -6.048 -0.898 499 HB THR 74 HB THR 74 -9.678 -4.388 -0.521 500 HG1 THR 74 1HG THR 74 -8.887 -6.006 1.120 501 HG21 THR 74 3HG2 THR 74 -12.016 -4.973 -0.202 502 HG22 THR 74 1HG2 THR 74 -11.706 -6.645 -0.686 503 HG23 THR 74 2HG2 THR 74 -11.547 -5.333 -1.868 504 H GLY 75 H GLY 75 -10.295 -7.819 -2.812 505 HA2 GLY 75 1HA GLY 75 -10.111 -10.215 -1.052 506 HA3 GLY 75 2HA GLY 75 -11.414 -9.842 -2.172 507 H GLN 76 H GLN 76 -8.236 -9.259 -3.420 508 HA GLN 76 HA GLN 76 -8.055 -11.973 -4.645 509 HB3 GLN 76 2HB GLN 76 -6.405 -11.103 -6.132 510 HG3 GLN 76 2HG GLN 76 -8.614 -9.068 -6.405 511 HE21 GLN 76 1HE2 GLN 76 -8.846 -8.361 -8.501 512 HE22 GLN 76 2HE2 GLN 76 -7.919 -8.959 -9.876 513 H ARG 77 H ARG 77 -5.629 -12.647 -4.632 514 HA ARG 77 HA ARG 77 -4.093 -11.580 -2.421 515 HB3 ARG 77 2HB ARG 77 -5.423 -12.906 -1.041 516 HG3 ARG 77 2HG ARG 77 -5.253 -15.131 -3.104 517 HD3 ARG 77 2HD ARG 77 -6.440 -15.135 -0.304 518 HE ARG 77 HE ARG 77 -6.509 -17.029 -2.518 519 HH11 ARG 77 1HH1 ARG 77 -6.570 -16.833 1.032 520 HH12 ARG 77 2HH1 ARG 77 -7.097 -18.483 1.232 521 HH21 ARG 77 1HH2 ARG 77 -7.238 -19.183 -2.229 522 HH22 ARG 77 2HH2 ARG 77 -7.681 -19.725 -0.631 523 H VAL 78 H VAL 78 -2.336 -11.277 -3.734 524 HA VAL 78 HA VAL 78 -1.484 -13.258 -5.638 525 HB VAL 78 HB VAL 78 0.670 -11.946 -5.760 526 HG11 VAL 78 1HG1 VAL 78 -0.276 -10.048 -6.905 527 HG12 VAL 78 2HG1 VAL 78 -1.210 -11.506 -7.236 528 HG13 VAL 78 3HG1 VAL 78 -1.837 -10.282 -6.100 529 HG21 VAL 78 3HG2 VAL 78 0.675 -9.629 -4.752 530 HG22 VAL 78 1HG2 VAL 78 -0.653 -10.119 -3.704 531 HG23 VAL 78 2HG2 VAL 78 0.926 -10.929 -3.601 532 H LEU 79 H LEU 79 -0.638 -15.187 -5.151 533 HA LEU 79 HA LEU 79 0.260 -16.902 -3.945 534 HB3 LEU 79 2HB LEU 79 2.511 -16.624 -3.152 535 HG LEU 79 HG LEU 79 2.185 -14.631 -5.433 536 HD11 LEU 79 1HD1 LEU 79 4.547 -16.396 -4.612 537 HD12 LEU 79 2HD1 LEU 79 4.405 -14.650 -4.290 538 HD13 LEU 79 3HD1 LEU 79 4.497 -15.222 -5.956 539 HD21 LEU 79 3HD2 LEU 79 2.451 -17.681 -5.444 540 HD22 LEU 79 1HD2 LEU 79 2.681 -16.658 -6.881 541 HD23 LEU 79 2HD2 LEU 79 1.104 -16.723 -6.100 542 H GLY 80 H GLY 80 -1.742 -15.213 -2.456 543 HA2 GLY 80 1HA GLY 80 -2.698 -15.901 -0.336 544 HA3 GLY 80 2HA GLY 80 -1.088 -16.247 0.264 545 H VAL 81 H VAL 81 -1.143 -13.215 -1.414 546 HA VAL 81 HA VAL 81 -1.198 -11.752 1.157 547 HB VAL 81 HB VAL 81 0.048 -11.048 -1.512 548 HG11 VAL 81 1HG1 VAL 81 -0.460 -9.097 -0.018 549 HG12 VAL 81 2HG1 VAL 81 0.518 -9.872 1.236 550 HG13 VAL 81 3HG1 VAL 81 1.262 -9.345 -0.298 551 HG21 VAL 81 3HG2 VAL 81 1.466 -12.021 0.983 552 HG22 VAL 81 1HG2 VAL 81 1.126 -13.085 -0.388 553 HG23 VAL 81 2HG2 VAL 81 2.170 -11.707 -0.629 554 HA PRO 82 HA PRO 82 -4.884 -9.902 -0.899 555 HB3 PRO 82 2HB PRO 82 -6.346 -11.333 0.303 556 HG3 PRO 82 2HG PRO 82 -5.766 -12.088 2.492 557 HD3 PRO 82 2HD PRO 82 -3.906 -12.748 1.246 558 H ILE 83 H ILE 83 -6.166 -7.828 0.040 559 HA ILE 83 HA ILE 83 -4.239 -6.179 1.545 560 HB ILE 83 HB ILE 83 -3.681 -6.036 -0.849 561 HG13 ILE 83 2HG1 ILE 83 -3.543 -4.072 0.888 562 HG21 ILE 83 1HG2 ILE 83 -5.942 -6.266 -1.844 563 HG22 ILE 83 2HG2 ILE 83 -6.377 -4.661 -1.181 564 HG23 ILE 83 3HG2 ILE 83 -5.139 -4.796 -2.414 565 HD11 ILE 83 3HD1 ILE 83 -3.279 -3.439 -2.060 566 HD12 ILE 83 1HD1 ILE 83 -2.478 -2.635 -0.683 567 HD13 ILE 83 2HD1 ILE 83 -2.073 -4.301 -1.072 568 H ILE 84 H ILE 84 -5.120 -3.898 1.892 569 HA ILE 84 HA ILE 84 -7.805 -4.226 3.112 570 HB ILE 84 HB ILE 84 -5.167 -3.083 4.094 571 HG13 ILE 84 2HG1 ILE 84 -5.391 -4.590 5.880 572 HG21 ILE 84 1HG2 ILE 84 -6.592 -1.309 4.692 573 HG22 ILE 84 2HG2 ILE 84 -7.888 -2.393 5.251 574 HG23 ILE 84 3HG2 ILE 84 -6.356 -2.272 6.149 575 HD11 ILE 84 3HD1 ILE 84 -7.860 -4.413 6.374 576 HD12 ILE 84 1HD1 ILE 84 -8.152 -5.467 4.966 577 HD13 ILE 84 2HD1 ILE 84 -7.212 -6.050 6.358 578 H VAL 85 H VAL 85 -9.265 -2.908 2.436 579 HA VAL 85 HA VAL 85 -9.128 -0.918 0.566 580 HB VAL 85 HB VAL 85 -11.008 -1.804 2.729 581 HG11 VAL 85 1HG1 VAL 85 -11.810 0.277 0.673 582 HG12 VAL 85 2HG1 VAL 85 -12.872 -0.609 1.756 583 HG13 VAL 85 3HG1 VAL 85 -11.674 0.509 2.433 584 HG21 VAL 85 3HG2 VAL 85 -12.294 -2.630 0.717 585 HG22 VAL 85 1HG2 VAL 85 -10.815 -2.282 -0.218 586 HG23 VAL 85 2HG2 VAL 85 -10.774 -3.406 1.145 587 H GLN 86 H GLN 86 -8.277 -0.430 3.954 588 HA GLN 86 HA GLN 86 -8.882 2.308 4.152 589 HB3 GLN 86 2HB GLN 86 -6.709 2.562 5.496 590 HG3 GLN 86 2HG GLN 86 -8.338 0.194 6.409 591 HE21 GLN 86 1HE2 GLN 86 -6.974 3.348 7.514 592 HE22 GLN 86 2HE2 GLN 86 -6.254 2.750 8.996 593 H ALA 87 H ALA 87 -6.116 0.784 2.638 594 HA ALA 87 HA ALA 87 -4.458 1.519 1.213 595 HB1 ALA 87 1HB ALA 87 -6.545 1.159 -0.072 596 HB2 ALA 87 2HB ALA 87 -6.898 2.896 0.073 597 HB3 ALA 87 3HB ALA 87 -5.459 2.338 -0.817 598 H SER 88 H SER 88 -4.242 3.034 3.414 599 HA SER 88 HA SER 88 -3.766 4.964 4.416 600 HB3 SER 88 2HB SER 88 -1.969 6.254 2.635 601 HG SER 88 HG SER 88 -1.775 6.021 4.819 602 H GLN 89 H GLN 89 -5.941 5.584 4.281 603 HA GLN 89 HA GLN 89 -7.085 7.430 2.665 604 HB3 GLN 89 2HB GLN 89 -8.314 6.400 4.353 605 HG3 GLN 89 2HG GLN 89 -7.361 8.188 6.508 606 HE21 GLN 89 1HE2 GLN 89 -8.853 7.325 7.821 607 HE22 GLN 89 2HE2 GLN 89 -8.757 5.689 8.472 608 H ALA 90 H ALA 90 -7.409 9.719 2.766 609 HA ALA 90 HA ALA 90 -4.900 11.139 3.175 610 HB1 ALA 90 1HB ALA 90 -7.607 12.194 2.243 611 HB2 ALA 90 2HB ALA 90 -6.040 13.014 2.102 612 HB3 ALA 90 3HB ALA 90 -6.345 11.525 1.173 613 H GLU 91 H GLU 91 -5.352 10.401 5.638 614 HA GLU 91 HA GLU 91 -5.491 11.080 7.764 615 HB3 GLU 91 2HB GLU 91 -6.153 13.897 6.905 616 HG3 GLU 91 2HG GLU 91 -4.284 12.760 8.999 617 H LYS 92 H LYS 92 -7.970 10.717 5.957 618 HA LYS 92 HA LYS 92 -10.081 11.985 7.570 619 HB3 LYS 92 2HB LYS 92 -11.588 11.655 5.819 620 HG3 LYS 92 2HG LYS 92 -9.109 11.614 4.102 621 HD3 LYS 92 2HD LYS 92 -11.487 11.825 3.117 622 HE3 LYS 92 2HE LYS 92 -11.090 14.637 4.245 623 HZ1 LYS 92 3HZ LYS 92 -12.300 14.690 2.177 624 HZ2 LYS 92 1HZ LYS 92 -13.293 15.001 3.438 625 HZ3 LYS 92 2HZ LYS 92 -13.381 13.530 2.712 626 H ASN 93 H ASN 93 -12.130 10.652 7.618 627 HA ASN 93 HA ASN 93 -13.478 9.153 8.424 628 HB3 ASN 93 2HB ASN 93 -11.325 7.050 8.268 629 HD21 ASN 93 1HD2 ASN 93 -12.260 4.768 8.601 630 HD22 ASN 93 2HD2 ASN 93 -13.572 4.673 9.751 631 H ARG 94 H ARG 94 -13.866 10.119 10.226 632 HA ARG 94 HA ARG 94 -13.940 10.772 12.342 633 HB3 ARG 94 2HB ARG 94 -11.745 9.044 13.417 634 HG3 ARG 94 2HG ARG 94 -13.748 8.257 14.870 635 HD3 ARG 94 2HD ARG 94 -13.063 11.200 15.148 636 HE ARG 94 HE ARG 94 -14.552 10.771 16.842 637 HH11 ARG 94 1HH1 ARG 94 -12.041 8.224 16.954 638 HH12 ARG 94 2HH1 ARG 94 -12.509 7.672 18.513 639 HH21 ARG 94 1HH2 ARG 94 -15.137 10.017 18.902 640 HH22 ARG 94 2HH2 ARG 94 -14.404 8.589 19.553 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -11.235 10.773 -1.222 2 HA2 GLY 1 1HA GLY 1 -12.377 13.507 -1.188 3 HA3 GLY 1 2HA GLY 1 -11.138 12.943 -2.313 4 H HIS 2 H HIS 2 -13.333 14.065 -3.436 5 HA HIS 2 HA HIS 2 -14.610 11.754 -4.774 6 HB3 HIS 2 2HB HIS 2 -16.566 13.889 -4.169 7 HD1 HIS 2 1HD HIS 2 -16.119 10.323 -2.700 8 HD2 HIS 2 2HD HIS 2 -18.457 12.563 -5.390 9 HE1 HIS 2 1HE HIS 2 -17.979 8.758 -3.532 10 H MET 3 H MET 3 -13.663 15.167 -4.854 11 HA MET 3 HA MET 3 -13.898 15.091 -7.792 12 HB3 MET 3 2HB MET 3 -15.052 17.227 -7.894 13 HG3 MET 3 2HG MET 3 -16.740 15.255 -6.323 14 HE1 MET 3 3HE MET 3 -17.099 18.571 -6.020 15 HE2 MET 3 1HE MET 3 -18.858 18.419 -5.907 16 HE3 MET 3 2HE MET 3 -17.824 17.199 -5.148 17 H ASN 4 H ASN 4 -13.345 17.481 -5.148 18 HA ASN 4 HA ASN 4 -11.049 18.656 -6.540 19 HB3 ASN 4 2HB ASN 4 -10.795 19.951 -4.402 20 HD21 ASN 4 1HD2 ASN 4 -11.250 21.636 -5.969 21 HD22 ASN 4 2HD2 ASN 4 -12.889 22.099 -6.345 22 H LEU 5 H LEU 5 -8.907 18.767 -5.339 23 HA LEU 5 HA LEU 5 -8.216 16.139 -4.075 24 HB3 LEU 5 2HB LEU 5 -6.415 17.788 -5.847 25 HG LEU 5 HG LEU 5 -5.633 15.764 -4.406 26 HD11 LEU 5 1HD1 LEU 5 -7.483 14.227 -5.190 27 HD12 LEU 5 2HD1 LEU 5 -5.878 13.564 -5.455 28 HD13 LEU 5 3HD1 LEU 5 -6.787 14.261 -6.815 29 HD21 LEU 5 3HD2 LEU 5 -3.982 15.107 -6.076 30 HD22 LEU 5 1HD2 LEU 5 -4.239 16.858 -6.129 31 HD23 LEU 5 2HD2 LEU 5 -4.963 15.813 -7.375 32 H THR 6 H THR 6 -6.733 16.389 -2.276 33 HA THR 6 HA THR 6 -6.627 19.161 -1.217 34 HB THR 6 HB THR 6 -6.889 17.866 0.624 35 HG1 THR 6 1HG THR 6 -4.982 17.761 1.696 36 HG21 THR 6 3HG2 THR 6 -6.838 15.616 -0.292 37 HG22 THR 6 1HG2 THR 6 -5.829 15.701 1.142 38 HG23 THR 6 2HG2 THR 6 -5.058 15.704 -0.446 39 HA PRO 7 HA PRO 7 -2.776 19.842 -3.372 40 HB3 PRO 7 2HB PRO 7 -2.736 22.013 -2.649 41 HG3 PRO 7 2HG PRO 7 -3.455 22.602 -0.480 42 HD3 PRO 7 2HD PRO 7 -5.226 21.363 -1.442 43 H GLU 8 H GLU 8 -2.949 18.227 -0.263 44 HA GLU 8 HA GLU 8 -0.135 17.377 -0.190 45 HB3 GLU 8 2HB GLU 8 -1.104 15.880 1.628 46 HG3 GLU 8 2HG GLU 8 -1.040 18.841 1.650 47 H GLU 9 H GLU 9 -3.259 16.125 -1.451 48 HA GLU 9 HA GLU 9 -2.646 13.402 -1.338 49 HB3 GLU 9 2HB GLU 9 -4.266 13.729 -3.644 50 HG3 GLU 9 2HG GLU 9 -4.841 13.409 -0.695 51 H ARG 10 H ARG 10 -2.012 15.686 -3.941 52 HA ARG 10 HA ARG 10 -0.756 13.741 -5.691 53 HB3 ARG 10 2HB ARG 10 -0.232 16.729 -5.644 54 HG3 ARG 10 2HG ARG 10 -0.286 14.739 -7.935 55 HD3 ARG 10 2HD ARG 10 -0.056 17.781 -7.900 56 HE ARG 10 HE ARG 10 0.446 17.614 -10.063 57 HH11 ARG 10 1HH1 ARG 10 -1.395 14.652 -9.430 58 HH12 ARG 10 2HH1 ARG 10 -1.626 14.294 -11.107 59 HH21 ARG 10 1HH2 ARG 10 -0.072 17.261 -12.249 60 HH22 ARG 10 2HH2 ARG 10 -1.080 15.911 -12.674 61 H ASP 11 H ASP 11 0.502 15.343 -2.859 62 HA ASP 11 HA ASP 11 3.310 14.794 -3.628 63 HB3 ASP 11 2HB ASP 11 3.022 15.778 -0.929 64 H ALA 12 H ALA 12 0.604 13.473 -1.931 65 HA ALA 12 HA ALA 12 2.057 11.904 -0.027 66 HB1 ALA 12 1HB ALA 12 -0.139 10.942 0.470 67 HB2 ALA 12 2HB ALA 12 -0.247 12.711 0.333 68 HB3 ALA 12 3HB ALA 12 -0.828 11.682 -0.972 69 H ARG 13 H ARG 13 0.054 10.865 -2.803 70 HA ARG 13 HA ARG 13 -0.068 8.940 -4.019 71 HB3 ARG 13 2HB ARG 13 2.083 8.300 -5.123 72 HG3 ARG 13 2HG ARG 13 1.438 11.269 -5.157 73 HD3 ARG 13 2HD ARG 13 2.989 9.504 -7.116 74 HE ARG 13 HE ARG 13 2.211 11.277 -8.420 75 HH11 ARG 13 1HH1 ARG 13 4.197 12.451 -5.742 76 HH12 ARG 13 2HH1 ARG 13 4.446 14.008 -6.439 77 HH21 ARG 13 1HH2 ARG 13 2.440 13.403 -9.291 78 HH22 ARG 13 2HH2 ARG 13 3.523 14.526 -8.515 79 H THR 14 H THR 14 -0.682 7.910 -1.765 80 HA THR 14 HA THR 14 1.268 5.670 -1.361 81 HB THR 14 HB THR 14 -0.048 6.553 1.095 82 HG1 THR 14 1HG THR 14 1.749 8.349 -0.136 83 HG21 THR 14 3HG2 THR 14 2.220 6.343 2.003 84 HG22 THR 14 1HG2 THR 14 2.874 6.153 0.366 85 HG23 THR 14 2HG2 THR 14 1.790 4.924 1.037 86 H VAL 15 H VAL 15 0.436 3.634 -0.644 87 HA VAL 15 HA VAL 15 -2.438 3.439 -0.072 88 HB VAL 15 HB VAL 15 -2.696 1.361 -1.322 89 HG11 VAL 15 1HG1 VAL 15 -2.121 3.842 -2.964 90 HG12 VAL 15 2HG1 VAL 15 -3.050 2.453 -3.505 91 HG13 VAL 15 3HG1 VAL 15 -3.627 3.385 -2.133 92 HG21 VAL 15 3HG2 VAL 15 -0.015 1.954 -2.629 93 HG22 VAL 15 1HG2 VAL 15 -0.575 0.468 -1.826 94 HG23 VAL 15 2HG2 VAL 15 -1.246 0.941 -3.375 95 H PHE 16 H PHE 16 -2.716 2.554 1.854 96 HA PHE 16 HA PHE 16 -0.771 0.957 3.172 97 HB3 PHE 16 2HB PHE 16 -3.729 1.281 3.859 98 HD1 PHE 16 2HD PHE 16 -3.507 -1.039 4.885 99 HD2 PHE 16 1HD PHE 16 -1.105 2.297 6.214 100 HE1 PHE 16 2HE PHE 16 -2.729 -2.329 6.852 101 HE2 PHE 16 1HE PHE 16 -0.330 0.975 8.142 102 HZ PHE 16 HZ PHE 16 -1.139 -1.423 8.408 103 H CYS 17 H CYS 17 -0.533 -1.137 3.188 104 HA CYS 17 HA CYS 17 -2.605 -2.922 1.987 105 HB3 CYS 17 2HB CYS 17 -0.935 -4.292 1.082 106 HG CYS 17 HG CYS 17 0.022 -1.132 0.541 107 H MET 18 H MET 18 -3.491 -3.717 3.829 108 HA MET 18 HA MET 18 -1.793 -4.554 6.080 109 HB3 MET 18 2HB MET 18 -4.726 -5.236 5.867 110 HG3 MET 18 2HG MET 18 -3.336 -3.944 8.215 111 HE1 MET 18 3HE MET 18 -6.394 -3.437 7.367 112 HE2 MET 18 1HE MET 18 -7.155 -3.642 8.953 113 HE3 MET 18 2HE MET 18 -5.595 -2.801 8.823 114 H GLN 19 H GLN 19 -2.264 -6.877 6.867 115 HA GLN 19 HA GLN 19 -2.761 -8.993 6.850 116 HB3 GLN 19 2HB GLN 19 -4.314 -8.951 4.278 117 HG3 GLN 19 2HG GLN 19 -5.241 -9.852 7.034 118 HE21 GLN 19 1HE2 GLN 19 -6.942 -9.103 4.864 119 HE22 GLN 19 2HE2 GLN 19 -7.552 -10.547 4.045 120 H LEU 20 H LEU 20 -0.443 -7.921 5.395 121 HA LEU 20 HA LEU 20 -0.003 -9.510 3.063 122 HB3 LEU 20 2HB LEU 20 2.300 -8.658 3.142 123 HG LEU 20 HG LEU 20 0.368 -6.461 4.026 124 HD11 LEU 20 1HD1 LEU 20 1.937 -5.020 2.756 125 HD12 LEU 20 2HD1 LEU 20 3.039 -6.395 2.587 126 HD13 LEU 20 3HD1 LEU 20 2.669 -5.752 4.189 127 HD21 LEU 20 3HD2 LEU 20 0.920 -7.707 1.294 128 HD22 LEU 20 1HD2 LEU 20 0.202 -6.100 1.494 129 HD23 LEU 20 2HD2 LEU 20 -0.637 -7.511 2.127 130 H ALA 21 H ALA 21 1.945 -10.948 2.805 131 HA ALA 21 HA ALA 21 1.764 -13.250 4.482 132 HB1 ALA 21 1HB ALA 21 2.565 -13.798 2.378 133 HB2 ALA 21 2HB ALA 21 3.615 -12.373 2.256 134 HB3 ALA 21 3HB ALA 21 4.070 -13.740 3.273 135 H ALA 22 H ALA 22 3.057 -14.006 6.060 136 HA ALA 22 HA ALA 22 4.538 -12.355 7.801 137 HB1 ALA 22 1HB ALA 22 4.753 -15.369 7.437 138 HB2 ALA 22 2HB ALA 22 5.153 -14.436 8.894 139 HB3 ALA 22 3HB ALA 22 3.471 -14.549 8.356 140 H ARG 23 H ARG 23 5.537 -13.241 4.725 141 HA ARG 23 HA ARG 23 8.408 -12.921 5.350 142 HB3 ARG 23 2HB ARG 23 7.593 -14.994 3.316 143 HG3 ARG 23 2HG ARG 23 10.058 -14.460 3.760 144 HD3 ARG 23 2HD ARG 23 9.139 -15.358 6.473 145 HE ARG 23 HE ARG 23 11.393 -16.571 5.272 146 HH11 ARG 23 1HH1 ARG 23 10.371 -15.168 8.406 147 HH12 ARG 23 2HH1 ARG 23 11.736 -15.854 9.248 148 HH21 ARG 23 1HH2 ARG 23 12.940 -17.651 6.496 149 HH22 ARG 23 2HH2 ARG 23 13.083 -17.343 8.229 150 H ILE 24 H ILE 24 6.077 -11.332 3.927 151 HA ILE 24 HA ILE 24 6.203 -11.525 1.220 152 HB ILE 24 HB ILE 24 4.534 -10.309 2.426 153 HG13 ILE 24 2HG1 ILE 24 5.263 -9.981 -0.069 154 HG21 ILE 24 1HG2 ILE 24 4.836 -7.987 3.134 155 HG22 ILE 24 2HG2 ILE 24 5.928 -9.056 4.043 156 HG23 ILE 24 3HG2 ILE 24 6.552 -8.058 2.708 157 HD11 ILE 24 3HD1 ILE 24 3.509 -8.424 -0.525 158 HD12 ILE 24 1HD1 ILE 24 2.985 -9.586 0.719 159 HD13 ILE 24 2HD1 ILE 24 3.465 -7.935 1.178 160 H ARG 25 H ARG 25 7.375 -10.871 -0.485 161 HA ARG 25 HA ARG 25 10.163 -10.268 0.031 162 HB3 ARG 25 2HB ARG 25 9.938 -9.736 -2.606 163 HG3 ARG 25 2HG ARG 25 9.882 -12.631 -1.715 164 HD3 ARG 25 2HD ARG 25 11.042 -11.093 -4.070 165 HE ARG 25 HE ARG 25 11.859 -13.721 -2.999 166 HH11 ARG 25 1HH1 ARG 25 11.719 -11.739 -5.921 167 HH12 ARG 25 2HH1 ARG 25 13.156 -12.379 -6.629 168 HH21 ARG 25 1HH2 ARG 25 13.737 -14.638 -3.936 169 HH22 ARG 25 2HH2 ARG 25 14.262 -14.168 -5.524 170 HA PRO 26 HA PRO 26 9.564 -5.819 -0.222 171 HB3 PRO 26 2HB PRO 26 11.623 -5.651 0.766 172 HG3 PRO 26 2HG PRO 26 13.395 -7.131 0.219 173 HD3 PRO 26 2HD PRO 26 11.657 -8.539 0.804 174 H ARG 27 H ARG 27 9.907 -7.842 -2.881 175 HA ARG 27 HA ARG 27 9.523 -5.566 -4.757 176 HB3 ARG 27 2HB ARG 27 9.567 -8.133 -6.083 177 HG3 ARG 27 2HG ARG 27 10.051 -5.874 -7.099 178 HD3 ARG 27 2HD ARG 27 12.627 -6.282 -5.535 179 HE ARG 27 HE ARG 27 12.224 -4.957 -8.084 180 HH11 ARG 27 1HH1 ARG 27 14.154 -4.754 -5.123 181 HH12 ARG 27 2HH1 ARG 27 15.672 -4.542 -5.960 182 HH21 ARG 27 1HH2 ARG 27 14.096 -4.235 -9.138 183 HH22 ARG 27 2HH2 ARG 27 15.617 -4.114 -8.319 184 H ASP 28 H ASP 28 7.755 -8.067 -3.031 185 HA ASP 28 HA ASP 28 5.990 -8.845 -5.111 186 HB3 ASP 28 2HB ASP 28 4.522 -9.187 -2.768 187 H LEU 29 H LEU 29 5.922 -6.088 -2.952 188 HA LEU 29 HA LEU 29 3.060 -5.523 -3.458 189 HB3 LEU 29 2HB LEU 29 3.427 -3.577 -2.013 190 HG LEU 29 HG LEU 29 4.529 -6.222 -0.966 191 HD11 LEU 29 1HD1 LEU 29 4.529 -5.369 1.255 192 HD12 LEU 29 2HD1 LEU 29 3.992 -3.748 0.701 193 HD13 LEU 29 3HD1 LEU 29 5.600 -4.388 0.266 194 HD21 LEU 29 3HD2 LEU 29 1.902 -4.699 -0.592 195 HD22 LEU 29 1HD2 LEU 29 2.357 -6.178 0.274 196 HD23 LEU 29 2HD2 LEU 29 2.153 -6.226 -1.470 197 H GLU 30 H GLU 30 6.180 -4.623 -4.879 198 HA GLU 30 HA GLU 30 5.066 -2.195 -6.091 199 HB3 GLU 30 2HB GLU 30 7.149 -1.711 -6.675 200 HG3 GLU 30 2HG GLU 30 8.123 -4.001 -5.038 201 H GLU 31 H GLU 31 6.258 -5.414 -6.890 202 HA GLU 31 HA GLU 31 5.766 -5.444 -9.643 203 HB3 GLU 31 2HB GLU 31 5.839 -8.019 -9.298 204 HG3 GLU 31 2HG GLU 31 8.221 -7.925 -8.281 205 H PHE 32 H PHE 32 3.548 -6.426 -6.974 206 HA PHE 32 HA PHE 32 1.520 -7.561 -8.592 207 HB3 PHE 32 2HB PHE 32 1.295 -6.030 -5.981 208 HD1 PHE 32 1HD PHE 32 -0.266 -8.615 -8.269 209 HD2 PHE 32 2HD PHE 32 -0.850 -5.947 -4.911 210 HE1 PHE 32 1HE PHE 32 -2.619 -9.095 -8.317 211 HE2 PHE 32 2HE PHE 32 -3.254 -6.519 -4.908 212 HZ PHE 32 HZ PHE 32 -4.172 -8.093 -6.613 213 H PHE 33 H PHE 33 1.924 -4.089 -7.602 214 HA PHE 33 HA PHE 33 -0.467 -3.403 -9.164 215 HB3 PHE 33 2HB PHE 33 -0.095 -1.170 -8.313 216 HD1 PHE 33 1HD PHE 33 -1.921 -3.242 -7.429 217 HD2 PHE 33 2HD PHE 33 1.402 -1.446 -5.344 218 HE1 PHE 33 1HE PHE 33 -2.943 -3.852 -5.247 219 HE2 PHE 33 2HE PHE 33 0.385 -2.079 -3.184 220 HZ PHE 33 HZ PHE 33 -1.764 -3.296 -3.132 221 H SER 34 H SER 34 2.889 -3.656 -9.785 222 HA SER 34 HA SER 34 3.477 -1.491 -11.390 223 HB3 SER 34 2HB SER 34 5.126 -3.120 -10.478 224 HG SER 34 HG SER 34 4.145 -5.105 -11.137 225 H THR 35 H THR 35 1.399 -4.085 -12.247 226 HA THR 35 HA THR 35 1.863 -4.064 -15.089 227 HB THR 35 HB THR 35 0.894 -5.950 -13.857 228 HG1 THR 35 1HG THR 35 0.264 -6.357 -15.749 229 HG21 THR 35 3HG2 THR 35 -1.412 -5.993 -13.166 230 HG22 THR 35 1HG2 THR 35 -1.663 -4.330 -13.669 231 HG23 THR 35 2HG2 THR 35 -0.596 -4.690 -12.287 232 H VAL 36 H VAL 36 0.150 -1.889 -12.918 233 HA VAL 36 HA VAL 36 -0.986 -0.429 -15.271 234 HB VAL 36 HB VAL 36 -3.046 -0.042 -13.860 235 HG11 VAL 36 1HG1 VAL 36 -4.143 -2.015 -14.675 236 HG12 VAL 36 2HG1 VAL 36 -3.011 -1.404 -15.887 237 HG13 VAL 36 3HG1 VAL 36 -2.595 -2.840 -14.939 238 HG21 VAL 36 3HG2 VAL 36 -2.252 -0.902 -11.684 239 HG22 VAL 36 1HG2 VAL 36 -3.663 -1.809 -12.264 240 HG23 VAL 36 2HG2 VAL 36 -2.063 -2.522 -12.364 241 H GLY 37 H GLY 37 1.378 0.190 -14.251 242 HA2 GLY 37 1HA GLY 37 1.974 2.540 -14.315 243 HA3 GLY 37 2HA GLY 37 0.882 2.814 -12.940 244 H LYS 38 H LYS 38 3.696 3.340 -13.003 245 HA LYS 38 HA LYS 38 4.931 1.193 -11.410 246 HB3 LYS 38 2HB LYS 38 5.936 2.593 -13.342 247 HG3 LYS 38 2HG LYS 38 7.818 3.926 -12.838 248 HD3 LYS 38 2HD LYS 38 6.267 6.015 -12.939 249 HE3 LYS 38 2HE LYS 38 6.070 3.742 -14.940 250 HZ1 LYS 38 3HZ LYS 38 4.244 5.272 -15.334 251 HZ2 LYS 38 1HZ LYS 38 5.398 5.361 -16.479 252 HZ3 LYS 38 2HZ LYS 38 5.297 6.564 -15.393 253 H VAL 39 H VAL 39 6.271 1.838 -9.544 254 HA VAL 39 HA VAL 39 4.963 3.836 -7.852 255 HB VAL 39 HB VAL 39 4.094 1.734 -7.285 256 HG11 VAL 39 1HG1 VAL 39 5.830 0.260 -8.385 257 HG12 VAL 39 2HG1 VAL 39 6.798 0.497 -6.904 258 HG13 VAL 39 3HG1 VAL 39 5.162 -0.235 -6.842 259 HG21 VAL 39 3HG2 VAL 39 6.256 2.437 -5.292 260 HG22 VAL 39 1HG2 VAL 39 4.479 2.644 -5.166 261 HG23 VAL 39 2HG2 VAL 39 5.224 1.050 -5.046 262 H ARG 40 H ARG 40 6.274 4.849 -6.305 263 HA ARG 40 HA ARG 40 8.940 5.481 -7.351 264 HB3 ARG 40 2HB ARG 40 7.195 6.636 -5.165 265 HG3 ARG 40 2HG ARG 40 10.055 7.299 -5.986 266 HD3 ARG 40 2HD ARG 40 7.859 8.881 -4.672 267 HE ARG 40 HE ARG 40 9.893 8.632 -3.161 268 HH11 ARG 40 1HH1 ARG 40 9.271 11.416 -5.242 269 HH12 ARG 40 2HH1 ARG 40 10.532 12.395 -4.631 270 HH21 ARG 40 1HH2 ARG 40 11.331 10.090 -2.053 271 HH22 ARG 40 2HH2 ARG 40 11.652 11.653 -2.709 272 H ASP 41 H ASP 41 7.442 3.990 -4.366 273 HA ASP 41 HA ASP 41 9.645 2.230 -4.085 274 HB3 ASP 41 2HB ASP 41 9.607 4.166 -1.763 275 H VAL 42 H VAL 42 9.564 1.294 -1.568 276 HA VAL 42 HA VAL 42 6.775 1.048 -0.663 277 HB VAL 42 HB VAL 42 8.634 -1.187 -1.541 278 HG11 VAL 42 1HG1 VAL 42 6.018 -1.652 -0.072 279 HG12 VAL 42 2HG1 VAL 42 7.204 -2.837 -0.614 280 HG13 VAL 42 3HG1 VAL 42 7.635 -1.782 0.718 281 HG21 VAL 42 3HG2 VAL 42 7.242 -0.424 -3.330 282 HG22 VAL 42 1HG2 VAL 42 6.381 -1.844 -2.685 283 HG23 VAL 42 2HG2 VAL 42 5.844 -0.222 -2.257 284 H ARG 43 H ARG 43 6.872 1.877 1.324 285 HA ARG 43 HA ARG 43 9.277 1.408 3.014 286 HB3 ARG 43 2HB ARG 43 7.162 3.568 3.060 287 HG3 ARG 43 2HG ARG 43 9.351 2.824 5.001 288 HD3 ARG 43 2HD ARG 43 10.107 4.987 4.166 289 HE ARG 43 HE ARG 43 7.860 5.875 3.395 290 HH11 ARG 43 1HH1 ARG 43 9.538 6.899 6.302 291 HH12 ARG 43 2HH1 ARG 43 8.613 8.340 6.537 292 HH21 ARG 43 1HH2 ARG 43 6.608 7.850 3.640 293 HH22 ARG 43 2HH2 ARG 43 6.898 8.867 4.999 294 H MET 44 H MET 44 8.741 -0.702 3.640 295 HA MET 44 HA MET 44 6.073 -1.105 4.842 296 HB3 MET 44 2HB MET 44 6.717 -2.860 3.382 297 HG3 MET 44 2HG MET 44 9.188 -3.206 5.104 298 HE1 MET 44 3HE MET 44 7.031 -4.775 2.084 299 HE2 MET 44 1HE MET 44 8.680 -4.485 1.482 300 HE3 MET 44 2HE MET 44 8.085 -6.150 1.685 301 H ILE 45 H ILE 45 5.947 -2.259 6.967 302 HA ILE 45 HA ILE 45 7.468 -0.624 8.864 303 HB ILE 45 HB ILE 45 5.046 -2.464 9.176 304 HG13 ILE 45 2HG1 ILE 45 5.355 0.543 8.895 305 HG21 ILE 45 1HG2 ILE 45 6.336 -0.621 11.215 306 HG22 ILE 45 2HG2 ILE 45 4.807 -1.455 11.436 307 HG23 ILE 45 3HG2 ILE 45 6.286 -2.397 11.301 308 HD11 ILE 45 3HD1 ILE 45 4.559 -0.384 6.832 309 HD12 ILE 45 1HD1 ILE 45 3.552 -1.569 7.701 310 HD13 ILE 45 2HD1 ILE 45 3.085 0.113 7.675 311 H SER 46 H SER 46 8.711 -1.549 10.559 312 HA SER 46 HA SER 46 10.181 -3.931 9.928 313 HB3 SER 46 2HB SER 46 11.443 -3.378 11.887 314 HG SER 46 HG SER 46 12.166 -1.756 10.747 315 H ASP 47 H ASP 47 8.609 -5.495 9.806 316 HA ASP 47 HA ASP 47 6.525 -5.916 11.596 317 HB3 ASP 47 2HB ASP 47 7.866 -7.940 9.790 318 H ARG 48 H ARG 48 6.197 -6.969 13.439 319 HA ARG 48 HA ARG 48 8.620 -7.984 14.876 320 HB3 ARG 48 2HB ARG 48 6.852 -5.934 16.164 321 HG3 ARG 48 2HG ARG 48 9.840 -6.459 16.330 322 HD3 ARG 48 2HD ARG 48 8.003 -4.522 17.794 323 HE ARG 48 HE ARG 48 10.477 -5.598 18.690 324 HH11 ARG 48 1HH1 ARG 48 9.293 -2.328 17.915 325 HH12 ARG 48 2HH1 ARG 48 10.114 -1.570 19.224 326 HH21 ARG 48 1HH2 ARG 48 11.685 -4.610 20.278 327 HH22 ARG 48 2HH2 ARG 48 11.562 -2.900 20.609 328 H ASN 49 H ASN 49 5.338 -8.700 14.320 329 HA ASN 49 HA ASN 49 4.139 -10.425 15.056 330 HB3 ASN 49 2HB ASN 49 5.526 -12.338 15.850 331 HD21 ASN 49 1HD2 ASN 49 7.152 -10.020 13.683 332 HD22 ASN 49 2HD2 ASN 49 6.538 -10.680 12.188 333 H SER 50 H SER 50 4.831 -8.327 17.150 334 HA SER 50 HA SER 50 3.562 -9.668 19.504 335 HB3 SER 50 2HB SER 50 6.009 -7.886 19.211 336 HG SER 50 HG SER 50 5.067 -8.870 21.696 337 H ARG 51 H ARG 51 3.628 -6.798 17.442 338 HA ARG 51 HA ARG 51 1.100 -6.037 18.439 339 HB3 ARG 51 2HB ARG 51 2.992 -3.736 18.924 340 HG3 ARG 51 2HG ARG 51 0.420 -4.675 20.256 341 HD3 ARG 51 2HD ARG 51 0.993 -1.796 20.182 342 HE ARG 51 HE ARG 51 -0.546 -2.393 21.769 343 HH11 ARG 51 1HH1 ARG 51 2.573 -4.012 22.517 344 HH12 ARG 51 2HH1 ARG 51 2.272 -4.097 24.215 345 HH21 ARG 51 1HH2 ARG 51 -1.015 -2.797 24.046 346 HH22 ARG 51 2HH2 ARG 51 0.184 -3.475 25.089 347 H ARG 52 H ARG 52 1.535 -6.840 16.011 348 HA ARG 52 HA ARG 52 1.245 -4.468 14.363 349 HB3 ARG 52 2HB ARG 52 2.718 -5.847 12.597 350 HG3 ARG 52 2HG ARG 52 3.190 -3.430 13.971 351 HD3 ARG 52 2HD ARG 52 5.791 -3.568 13.807 352 HE ARG 52 HE ARG 52 5.034 -4.921 16.298 353 HH11 ARG 52 1HH1 ARG 52 5.239 -1.767 14.664 354 HH12 ARG 52 2HH1 ARG 52 5.138 -0.877 16.141 355 HH21 ARG 52 1HH2 ARG 52 5.278 -3.738 18.245 356 HH22 ARG 52 2HH2 ARG 52 5.201 -2.008 18.185 357 H SER 53 H SER 53 -0.106 -5.014 12.529 358 HA SER 53 HA SER 53 -1.770 -7.308 12.905 359 HB3 SER 53 2HB SER 53 -1.785 -5.587 10.424 360 HG SER 53 HG SER 53 -3.995 -5.779 10.725 361 H LYS 54 H LYS 54 0.823 -8.327 12.520 362 HA LYS 54 HA LYS 54 2.055 -9.838 11.337 363 HB3 LYS 54 2HB LYS 54 0.811 -11.786 10.861 364 HG3 LYS 54 2HG LYS 54 -0.774 -10.382 13.030 365 HD3 LYS 54 2HD LYS 54 -0.785 -12.703 14.010 366 HE3 LYS 54 2HE LYS 54 -2.056 -12.336 11.273 367 HZ1 LYS 54 3HZ LYS 54 -2.002 -14.646 11.844 368 HZ2 LYS 54 1HZ LYS 54 -3.513 -14.047 11.848 369 HZ3 LYS 54 2HZ LYS 54 -2.777 -14.356 13.299 370 H GLY 55 H GLY 55 1.412 -7.481 9.570 371 HA2 GLY 55 1HA GLY 55 2.989 -7.864 7.457 372 HA3 GLY 55 2HA GLY 55 1.523 -8.711 6.905 373 H ILE 56 H ILE 56 3.049 -5.595 7.220 374 HA ILE 56 HA ILE 56 0.656 -4.204 6.290 375 HB ILE 56 HB ILE 56 1.206 -2.379 8.034 376 HG13 ILE 56 2HG1 ILE 56 3.276 -3.606 8.884 377 HG21 ILE 56 1HG2 ILE 56 -0.884 -3.770 7.966 378 HG22 ILE 56 2HG2 ILE 56 -0.107 -4.979 9.003 379 HG23 ILE 56 3HG2 ILE 56 -0.422 -3.343 9.605 380 HD11 ILE 56 3HD1 ILE 56 1.249 -2.852 11.034 381 HD12 ILE 56 1HD1 ILE 56 3.006 -2.756 11.126 382 HD13 ILE 56 2HD1 ILE 56 2.130 -1.655 10.054 383 H ALA 57 H ALA 57 1.144 -2.050 5.338 384 HA ALA 57 HA ALA 57 3.957 -1.369 4.802 385 HB1 ALA 57 1HB ALA 57 3.311 -1.691 2.256 386 HB2 ALA 57 2HB ALA 57 3.773 -3.115 3.222 387 HB3 ALA 57 3HB ALA 57 2.068 -2.756 2.885 388 H TYR 58 H TYR 58 4.204 0.575 3.576 389 HA TYR 58 HA TYR 58 1.797 2.074 2.628 390 HB3 TYR 58 2HB TYR 58 3.047 4.152 2.907 391 HD1 TYR 58 2HD TYR 58 4.044 1.982 5.807 392 HD2 TYR 58 1HD TYR 58 1.625 5.258 4.408 393 HE1 TYR 58 2HE TYR 58 3.074 2.220 8.047 394 HE2 TYR 58 1HE TYR 58 0.519 5.388 6.611 395 HH TYR 58 HH TYR 58 1.451 4.576 9.308 396 H VAL 59 H VAL 59 1.898 1.521 0.490 397 HA VAL 59 HA VAL 59 4.490 1.300 -0.962 398 HB VAL 59 HB VAL 59 1.598 0.661 -1.606 399 HG11 VAL 59 1HG1 VAL 59 2.700 1.314 -3.703 400 HG12 VAL 59 2HG1 VAL 59 4.011 0.148 -3.382 401 HG13 VAL 59 3HG1 VAL 59 2.367 -0.427 -3.666 402 HG21 VAL 59 3HG2 VAL 59 2.623 -0.950 -0.034 403 HG22 VAL 59 1HG2 VAL 59 2.255 -1.675 -1.597 404 HG23 VAL 59 2HG2 VAL 59 3.927 -1.236 -1.203 405 H GLU 60 H GLU 60 5.148 3.009 -2.374 406 HA GLU 60 HA GLU 60 3.424 5.394 -2.225 407 HB3 GLU 60 2HB GLU 60 6.453 5.152 -2.283 408 HG3 GLU 60 2HG GLU 60 4.740 7.561 -1.531 409 H PHE 61 H PHE 61 2.367 4.996 -4.327 410 HA PHE 61 HA PHE 61 3.575 4.302 -6.629 411 HB3 PHE 61 2HB PHE 61 1.373 5.994 -7.329 412 HD1 PHE 61 1HD PHE 61 1.577 2.620 -5.667 413 HD2 PHE 61 2HD PHE 61 1.117 4.828 -9.322 414 HE1 PHE 61 1HE PHE 61 1.172 0.508 -6.873 415 HE2 PHE 61 2HE PHE 61 0.718 2.666 -10.550 416 HZ PHE 61 HZ PHE 61 0.739 0.559 -9.345 417 H VAL 62 H VAL 62 3.610 5.476 -8.783 418 HA VAL 62 HA VAL 62 4.891 8.102 -8.525 419 HB VAL 62 HB VAL 62 4.442 6.422 -11.053 420 HG11 VAL 62 1HG1 VAL 62 6.126 8.883 -10.459 421 HG12 VAL 62 2HG1 VAL 62 6.152 7.998 -11.989 422 HG13 VAL 62 3HG1 VAL 62 4.698 8.867 -11.499 423 HG21 VAL 62 3HG2 VAL 62 6.971 6.227 -10.800 424 HG22 VAL 62 1HG2 VAL 62 6.708 6.550 -9.061 425 HG23 VAL 62 2HG2 VAL 62 5.922 5.162 -9.934 426 H ASP 63 H ASP 63 1.591 6.892 -9.198 427 HA ASP 63 HA ASP 63 0.893 9.719 -9.557 428 HB3 ASP 63 2HB ASP 63 -0.592 7.737 -11.286 429 H VAL 64 H VAL 64 -0.989 10.339 -8.811 430 HA VAL 64 HA VAL 64 -2.400 9.245 -6.730 431 HB VAL 64 HB VAL 64 -3.436 11.204 -8.810 432 HG11 VAL 64 1HG1 VAL 64 -3.941 11.051 -5.813 433 HG12 VAL 64 2HG1 VAL 64 -4.640 12.226 -6.950 434 HG13 VAL 64 3HG1 VAL 64 -5.066 10.518 -7.063 435 HG21 VAL 64 3HG2 VAL 64 -1.255 12.077 -8.302 436 HG22 VAL 64 1HG2 VAL 64 -2.437 13.016 -7.384 437 HG23 VAL 64 2HG2 VAL 64 -1.484 11.761 -6.565 438 H SER 65 H SER 65 -3.160 8.973 -10.341 439 HA SER 65 HA SER 65 -5.823 8.082 -9.788 440 HB3 SER 65 2HB SER 65 -5.489 8.933 -11.923 441 HG SER 65 HG SER 65 -3.472 6.989 -12.480 442 H SER 66 H SER 66 -2.809 6.408 -9.576 443 HA SER 66 HA SER 66 -3.988 3.758 -9.840 444 HB3 SER 66 2HB SER 66 -1.905 3.011 -9.917 445 HG SER 66 HG SER 66 -1.047 5.723 -9.804 446 H VAL 67 H VAL 67 -3.943 6.009 -7.230 447 HA VAL 67 HA VAL 67 -3.401 4.284 -5.037 448 HB VAL 67 HB VAL 67 -4.845 6.934 -5.280 449 HG11 VAL 67 1HG1 VAL 67 -4.648 7.158 -2.864 450 HG12 VAL 67 2HG1 VAL 67 -5.713 5.805 -3.262 451 HG13 VAL 67 3HG1 VAL 67 -4.039 5.507 -2.741 452 HG21 VAL 67 3HG2 VAL 67 -2.097 6.182 -4.189 453 HG22 VAL 67 1HG2 VAL 67 -2.392 6.913 -5.782 454 HG23 VAL 67 2HG2 VAL 67 -2.781 7.814 -4.319 455 HA PRO 68 HA PRO 68 -8.031 3.339 -4.715 456 HB3 PRO 68 2HB PRO 68 -9.428 5.067 -5.297 457 HG3 PRO 68 2HG PRO 68 -8.886 6.507 -7.130 458 HD3 PRO 68 2HD PRO 68 -7.043 6.509 -5.648 459 H LEU 69 H LEU 69 -6.119 2.955 -7.548 460 HA LEU 69 HA LEU 69 -7.535 0.722 -8.704 461 HB3 LEU 69 2HB LEU 69 -4.540 1.012 -8.965 462 HG LEU 69 HG LEU 69 -6.836 0.565 -10.921 463 HD11 LEU 69 1HD1 LEU 69 -5.158 1.985 -11.939 464 HD12 LEU 69 2HD1 LEU 69 -5.049 0.365 -12.631 465 HD13 LEU 69 3HD1 LEU 69 -3.852 0.892 -11.422 466 HD21 LEU 69 3HD2 LEU 69 -4.578 -1.288 -10.041 467 HD22 LEU 69 1HD2 LEU 69 -5.744 -1.611 -11.357 468 HD23 LEU 69 2HD2 LEU 69 -6.314 -1.486 -9.708 469 H ALA 70 H ALA 70 -4.741 1.026 -6.436 470 HA ALA 70 HA ALA 70 -4.449 -1.745 -5.875 471 HB1 ALA 70 1HB ALA 70 -3.364 -1.030 -3.798 472 HB2 ALA 70 2HB ALA 70 -2.846 0.015 -5.136 473 HB3 ALA 70 3HB ALA 70 -4.060 0.584 -3.958 474 H ILE 71 H ILE 71 -6.695 0.655 -4.485 475 HA ILE 71 HA ILE 71 -7.876 -1.018 -2.477 476 HB ILE 71 HB ILE 71 -8.933 1.368 -4.010 477 HG13 ILE 71 2HG1 ILE 71 -7.028 1.723 -2.399 478 HG21 ILE 71 1HG2 ILE 71 -10.867 0.033 -3.343 479 HG22 ILE 71 2HG2 ILE 71 -10.228 -0.076 -1.695 480 HG23 ILE 71 3HG2 ILE 71 -10.764 1.483 -2.361 481 HD11 ILE 71 3HD1 ILE 71 -9.002 3.439 -2.789 482 HD12 ILE 71 1HD1 ILE 71 -9.487 2.969 -1.152 483 HD13 ILE 71 2HD1 ILE 71 -7.897 3.689 -1.443 484 H GLY 72 H GLY 72 -8.648 -0.574 -5.981 485 HA2 GLY 72 1HA GLY 72 -10.951 -2.146 -6.084 486 HA3 GLY 72 2HA GLY 72 -9.809 -1.912 -7.416 487 H LEU 73 H LEU 73 -7.551 -3.172 -6.080 488 HA LEU 73 HA LEU 73 -8.122 -5.935 -6.785 489 HB3 LEU 73 2HB LEU 73 -5.746 -6.299 -6.368 490 HG LEU 73 HG LEU 73 -6.028 -3.667 -7.862 491 HD11 LEU 73 1HD1 LEU 73 -3.730 -4.612 -7.396 492 HD12 LEU 73 2HD1 LEU 73 -4.117 -4.408 -9.112 493 HD13 LEU 73 3HD1 LEU 73 -4.171 -6.020 -8.375 494 HD21 LEU 73 3HD2 LEU 73 -6.719 -6.479 -8.755 495 HD22 LEU 73 1HD2 LEU 73 -6.310 -5.203 -9.910 496 HD23 LEU 73 2HD2 LEU 73 -7.735 -5.029 -8.852 497 H THR 74 H THR 74 -8.897 -4.445 -3.903 498 HA THR 74 HA THR 74 -7.938 -5.874 -1.815 499 HB THR 74 HB THR 74 -9.452 -4.018 -1.592 500 HG1 THR 74 1HG THR 74 -9.162 -5.898 -0.018 501 HG21 THR 74 3HG2 THR 74 -11.585 -6.030 -2.459 502 HG22 THR 74 1HG2 THR 74 -11.139 -4.534 -3.299 503 HG23 THR 74 2HG2 THR 74 -11.925 -4.464 -1.717 504 H GLY 75 H GLY 75 -9.965 -7.327 -4.288 505 HA2 GLY 75 1HA GLY 75 -10.807 -9.533 -2.494 506 HA3 GLY 75 2HA GLY 75 -11.379 -9.179 -4.120 507 H GLN 76 H GLN 76 -8.056 -8.987 -4.405 508 HA GLN 76 HA GLN 76 -7.840 -11.730 -5.490 509 HB3 GLN 76 2HB GLN 76 -5.540 -10.942 -6.049 510 HG3 GLN 76 2HG GLN 76 -7.548 -8.946 -7.092 511 HE21 GLN 76 1HE2 GLN 76 -7.233 -8.471 -9.343 512 HE22 GLN 76 2HE2 GLN 76 -5.594 -8.581 -9.972 513 H ARG 77 H ARG 77 -5.604 -12.766 -4.947 514 HA ARG 77 HA ARG 77 -4.855 -12.511 -2.133 515 HB3 ARG 77 2HB ARG 77 -6.632 -14.048 -1.825 516 HG3 ARG 77 2HG ARG 77 -5.851 -15.119 -4.486 517 HD3 ARG 77 2HD ARG 77 -5.486 -16.940 -2.388 518 HE ARG 77 HE ARG 77 -8.234 -17.070 -3.325 519 HH11 ARG 77 1HH1 ARG 77 -5.506 -19.012 -2.122 520 HH12 ARG 77 2HH1 ARG 77 -6.503 -20.373 -1.702 521 HH21 ARG 77 1HH2 ARG 77 -9.544 -18.893 -2.671 522 HH22 ARG 77 2HH2 ARG 77 -8.752 -20.295 -2.017 523 H VAL 78 H VAL 78 -2.869 -11.802 -2.955 524 HA VAL 78 HA VAL 78 -1.518 -12.952 -5.138 525 HB VAL 78 HB VAL 78 -0.479 -11.207 -2.877 526 HG11 VAL 78 1HG1 VAL 78 1.297 -10.543 -4.495 527 HG12 VAL 78 2HG1 VAL 78 1.412 -12.246 -4.073 528 HG13 VAL 78 3HG1 VAL 78 0.691 -11.769 -5.632 529 HG21 VAL 78 3HG2 VAL 78 -0.822 -9.362 -4.515 530 HG22 VAL 78 1HG2 VAL 78 -1.579 -10.519 -5.629 531 HG23 VAL 78 2HG2 VAL 78 -2.340 -10.130 -4.071 532 H LEU 79 H LEU 79 -1.290 -15.100 -5.028 533 HA LEU 79 HA LEU 79 -0.793 -17.201 -4.286 534 HB3 LEU 79 2HB LEU 79 1.488 -17.586 -3.420 535 HG LEU 79 HG LEU 79 1.494 -15.426 -5.587 536 HD11 LEU 79 1HD1 LEU 79 3.680 -16.405 -6.210 537 HD12 LEU 79 2HD1 LEU 79 3.599 -17.467 -4.782 538 HD13 LEU 79 3HD1 LEU 79 3.674 -15.709 -4.587 539 HD21 LEU 79 3HD2 LEU 79 1.665 -17.288 -7.184 540 HD22 LEU 79 1HD2 LEU 79 0.138 -17.352 -6.310 541 HD23 LEU 79 2HD2 LEU 79 1.475 -18.461 -5.871 542 H GLY 80 H GLY 80 -2.554 -15.836 -2.803 543 HA2 GLY 80 1HA GLY 80 -3.838 -16.535 -0.902 544 HA3 GLY 80 2HA GLY 80 -2.421 -17.312 -0.224 545 H VAL 81 H VAL 81 -1.978 -14.007 -1.314 546 HA VAL 81 HA VAL 81 -2.184 -12.939 1.466 547 HB VAL 81 HB VAL 81 -0.322 -12.026 -0.729 548 HG11 VAL 81 1HG1 VAL 81 -0.978 -10.320 0.958 549 HG12 VAL 81 2HG1 VAL 81 -0.542 -11.453 2.243 550 HG13 VAL 81 3HG1 VAL 81 0.710 -10.802 1.135 551 HG21 VAL 81 3HG2 VAL 81 0.340 -14.301 0.070 552 HG22 VAL 81 1HG2 VAL 81 1.453 -13.039 0.600 553 HG23 VAL 81 2HG2 VAL 81 0.254 -13.715 1.744 554 HA PRO 82 HA PRO 82 -5.304 -10.656 -1.043 555 HB3 PRO 82 2HB PRO 82 -7.024 -11.920 -0.068 556 HG3 PRO 82 2HG PRO 82 -6.817 -12.698 2.201 557 HD3 PRO 82 2HD PRO 82 -4.953 -13.596 1.059 558 H ILE 83 H ILE 83 -6.480 -8.467 -0.213 559 HA ILE 83 HA ILE 83 -4.678 -6.969 1.547 560 HB ILE 83 HB ILE 83 -3.576 -6.765 -0.539 561 HG13 ILE 83 2HG1 ILE 83 -3.679 -4.793 0.900 562 HG21 ILE 83 1HG2 ILE 83 -5.906 -5.521 -1.979 563 HG22 ILE 83 2HG2 ILE 83 -4.407 -6.169 -2.625 564 HG23 ILE 83 3HG2 ILE 83 -5.642 -7.280 -2.051 565 HD11 ILE 83 3HD1 ILE 83 -2.347 -4.597 -1.178 566 HD12 ILE 83 1HD1 ILE 83 -3.785 -3.984 -2.038 567 HD13 ILE 83 2HD1 ILE 83 -3.098 -3.054 -0.709 568 H ILE 84 H ILE 84 -5.612 -4.949 2.192 569 HA ILE 84 HA ILE 84 -8.582 -5.108 2.387 570 HB ILE 84 HB ILE 84 -6.424 -3.938 4.195 571 HG13 ILE 84 2HG1 ILE 84 -7.018 -5.736 5.786 572 HG21 ILE 84 1HG2 ILE 84 -8.443 -2.667 4.558 573 HG22 ILE 84 2HG2 ILE 84 -9.424 -4.133 4.638 574 HG23 ILE 84 3HG2 ILE 84 -8.254 -3.771 5.913 575 HD11 ILE 84 3HD1 ILE 84 -9.268 -6.378 4.812 576 HD12 ILE 84 1HD1 ILE 84 -8.385 -7.135 3.471 577 HD13 ILE 84 2HD1 ILE 84 -8.173 -7.727 5.126 578 H VAL 85 H VAL 85 -9.843 -3.290 1.889 579 HA VAL 85 HA VAL 85 -8.865 -1.291 0.158 580 HB VAL 85 HB VAL 85 -11.118 -0.440 0.273 581 HG11 VAL 85 1HG1 VAL 85 -12.350 -2.307 -0.488 582 HG12 VAL 85 2HG1 VAL 85 -10.669 -2.437 -1.029 583 HG13 VAL 85 3HG1 VAL 85 -11.247 -3.429 0.335 584 HG21 VAL 85 3HG2 VAL 85 -11.589 -0.599 2.725 585 HG22 VAL 85 1HG2 VAL 85 -12.866 -1.332 1.743 586 HG23 VAL 85 2HG2 VAL 85 -11.685 -2.367 2.565 587 H GLN 86 H GLN 86 -8.142 -1.357 3.316 588 HA GLN 86 HA GLN 86 -8.823 0.860 4.657 589 HB3 GLN 86 2HB GLN 86 -6.063 0.823 5.186 590 HG3 GLN 86 2HG GLN 86 -6.678 -0.990 6.881 591 HE21 GLN 86 1HE2 GLN 86 -5.604 1.263 7.491 592 HE22 GLN 86 2HE2 GLN 86 -6.676 2.285 8.395 593 H ALA 87 H ALA 87 -6.081 0.880 2.384 594 HA ALA 87 HA ALA 87 -4.891 2.480 1.422 595 HB1 ALA 87 1HB ALA 87 -7.645 3.497 1.296 596 HB2 ALA 87 2HB ALA 87 -6.423 4.768 1.205 597 HB3 ALA 87 3HB ALA 87 -6.369 3.397 0.084 598 H SER 88 H SER 88 -3.977 4.613 1.657 599 HA SER 88 HA SER 88 -3.366 5.378 4.472 600 HB3 SER 88 2HB SER 88 -2.011 5.894 1.801 601 HG SER 88 HG SER 88 -1.092 6.664 4.405 602 H GLN 89 H GLN 89 -5.653 6.319 4.451 603 HA GLN 89 HA GLN 89 -6.081 8.647 2.609 604 HB3 GLN 89 2HB GLN 89 -8.333 8.678 3.788 605 HG3 GLN 89 2HG GLN 89 -9.162 6.611 2.380 606 HE21 GLN 89 1HE2 GLN 89 -7.251 8.044 -0.021 607 HE22 GLN 89 2HE2 GLN 89 -8.305 9.396 -0.409 608 H ALA 90 H ALA 90 -5.493 10.489 3.304 609 HA ALA 90 HA ALA 90 -5.283 12.339 4.352 610 HB1 ALA 90 1HB ALA 90 -6.820 13.029 5.731 611 HB2 ALA 90 2HB ALA 90 -7.411 11.375 5.907 612 HB3 ALA 90 3HB ALA 90 -6.192 12.023 7.042 613 H GLU 91 H GLU 91 -3.882 13.399 5.936 614 HA GLU 91 HA GLU 91 -1.479 11.914 6.180 615 HB3 GLU 91 2HB GLU 91 -1.648 14.681 7.331 616 HG3 GLU 91 2HG GLU 91 -0.141 14.919 5.128 617 H LYS 92 H LYS 92 -3.442 10.847 7.962 618 HA LYS 92 HA LYS 92 -2.364 11.521 10.674 619 HB3 LYS 92 2HB LYS 92 -4.429 10.690 11.617 620 HG3 LYS 92 2HG LYS 92 -5.199 12.581 9.357 621 HD3 LYS 92 2HD LYS 92 -6.266 12.080 12.188 622 HE3 LYS 92 2HE LYS 92 -6.477 14.392 10.347 623 HZ1 LYS 92 3HZ LYS 92 -8.911 13.394 11.681 624 HZ2 LYS 92 1HZ LYS 92 -8.631 13.387 10.065 625 HZ3 LYS 92 2HZ LYS 92 -8.722 14.827 10.842 626 H ASN 93 H ASN 93 -2.660 8.880 8.469 627 HA ASN 93 HA ASN 93 -2.208 6.909 10.631 628 HB3 ASN 93 2HB ASN 93 -1.890 5.200 8.917 629 HD21 ASN 93 1HD2 ASN 93 -4.187 6.525 6.872 630 HD22 ASN 93 2HD2 ASN 93 -5.639 5.918 7.705 631 H ARG 94 H ARG 94 -0.331 7.866 11.542 632 HA ARG 94 HA ARG 94 2.121 7.979 9.916 633 HB3 ARG 94 2HB ARG 94 1.775 8.681 12.872 634 HG3 ARG 94 2HG ARG 94 4.036 8.646 11.152 635 HD3 ARG 94 2HD ARG 94 2.968 10.797 10.159 636 HE ARG 94 HE ARG 94 2.752 11.617 12.768 637 HH11 ARG 94 1HH1 ARG 94 4.285 12.985 9.904 638 HH12 ARG 94 2HH1 ARG 94 4.587 14.525 10.611 639 HH21 ARG 94 1HH2 ARG 94 2.974 13.638 13.670 640 HH22 ARG 94 2HH2 ARG 94 3.841 14.919 12.899 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -13.905 15.257 -8.061 2 HA2 GLY 1 1HA GLY 1 -12.621 17.019 -7.032 3 HA3 GLY 1 2HA GLY 1 -14.347 17.284 -6.703 4 H HIS 2 H HIS 2 -15.149 16.186 -4.599 5 HA HIS 2 HA HIS 2 -15.198 16.253 -2.365 6 HB3 HIS 2 2HB HIS 2 -13.243 14.712 -1.385 7 HD1 HIS 2 1HD HIS 2 -15.552 13.961 -0.111 8 HD2 HIS 2 2HD HIS 2 -14.978 12.727 -4.110 9 HE1 HIS 2 1HE HIS 2 -17.073 11.957 -0.473 10 H MET 3 H MET 3 -14.961 18.319 -1.808 11 HA MET 3 HA MET 3 -14.188 20.195 -1.069 12 HB3 MET 3 2HB MET 3 -14.219 19.125 0.989 13 HG3 MET 3 2HG MET 3 -11.886 18.348 1.947 14 HE1 MET 3 3HE MET 3 -14.498 15.912 3.217 15 HE2 MET 3 1HE MET 3 -13.135 16.976 3.614 16 HE3 MET 3 2HE MET 3 -14.602 17.648 2.861 17 H ASN 4 H ASN 4 -11.898 18.672 -2.904 18 HA ASN 4 HA ASN 4 -10.380 19.502 -4.380 19 HB3 ASN 4 2HB ASN 4 -10.080 21.998 -2.681 20 HD21 ASN 4 1HD2 ASN 4 -9.330 23.850 -3.998 21 HD22 ASN 4 2HD2 ASN 4 -7.999 23.561 -5.102 22 H LEU 5 H LEU 5 -8.084 19.536 -4.264 23 HA LEU 5 HA LEU 5 -7.112 17.520 -2.524 24 HB3 LEU 5 2HB LEU 5 -5.224 19.282 -4.061 25 HG LEU 5 HG LEU 5 -4.926 16.776 -3.105 26 HD11 LEU 5 1HD1 LEU 5 -5.948 16.332 -5.947 27 HD12 LEU 5 2HD1 LEU 5 -6.787 15.852 -4.460 28 HD13 LEU 5 3HD1 LEU 5 -5.239 15.105 -4.883 29 HD21 LEU 5 3HD2 LEU 5 -3.111 18.004 -4.245 30 HD22 LEU 5 1HD2 LEU 5 -3.848 17.624 -5.831 31 HD23 LEU 5 2HD2 LEU 5 -3.182 16.343 -4.804 32 H THR 6 H THR 6 -4.810 17.838 -1.458 33 HA THR 6 HA THR 6 -4.409 20.538 -0.327 34 HB THR 6 HB THR 6 -4.836 19.333 1.639 35 HG1 THR 6 1HG THR 6 -2.852 19.141 2.620 36 HG21 THR 6 3HG2 THR 6 -3.243 16.999 0.532 37 HG22 THR 6 1HG2 THR 6 -5.008 17.029 0.809 38 HG23 THR 6 2HG2 THR 6 -3.892 17.090 2.173 39 HA PRO 7 HA PRO 7 -0.655 20.086 -2.729 40 HB3 PRO 7 2HB PRO 7 0.029 22.212 -2.240 41 HG3 PRO 7 2HG PRO 7 -0.490 23.199 -0.134 42 HD3 PRO 7 2HD PRO 7 -2.528 22.326 -0.985 43 H GLU 8 H GLU 8 -0.988 18.706 0.494 44 HA GLU 8 HA GLU 8 1.547 17.272 0.459 45 HB3 GLU 8 2HB GLU 8 0.487 16.025 2.320 46 HG3 GLU 8 2HG GLU 8 0.259 19.053 2.667 47 H GLU 9 H GLU 9 -1.758 16.629 -0.783 48 HA GLU 9 HA GLU 9 -1.581 13.781 -0.695 49 HB3 GLU 9 2HB GLU 9 -3.351 14.195 -2.708 50 HG3 GLU 9 2HG GLU 9 -5.061 14.991 -0.968 51 H ARG 10 H ARG 10 -0.812 16.105 -3.217 52 HA ARG 10 HA ARG 10 -0.004 14.261 -5.231 53 HB3 ARG 10 2HB ARG 10 -0.720 16.463 -5.764 54 HG3 ARG 10 2HG ARG 10 2.100 17.355 -5.101 55 HD3 ARG 10 2HD ARG 10 0.591 19.417 -4.418 56 HE ARG 10 HE ARG 10 1.729 18.771 -6.890 57 HH11 ARG 10 1HH1 ARG 10 -1.210 20.645 -6.142 58 HH12 ARG 10 2HH1 ARG 10 -0.911 21.800 -7.377 59 HH21 ARG 10 1HH2 ARG 10 2.150 20.435 -8.463 60 HH22 ARG 10 2HH2 ARG 10 0.819 21.474 -8.861 61 H ASP 11 H ASP 11 1.522 15.061 -2.344 62 HA ASP 11 HA ASP 11 4.238 14.414 -3.310 63 HB3 ASP 11 2HB ASP 11 4.074 15.054 -0.492 64 H ALA 12 H ALA 12 1.700 13.485 -0.999 65 HA ALA 12 HA ALA 12 2.932 11.502 0.415 66 HB1 ALA 12 1HB ALA 12 0.640 10.687 0.916 67 HB2 ALA 12 2HB ALA 12 0.764 12.457 1.006 68 HB3 ALA 12 3HB ALA 12 -0.004 11.689 -0.399 69 H ARG 13 H ARG 13 0.721 10.764 -2.315 70 HA ARG 13 HA ARG 13 0.573 8.983 -3.765 71 HB3 ARG 13 2HB ARG 13 2.726 8.133 -4.685 72 HG3 ARG 13 2HG ARG 13 2.356 11.123 -4.361 73 HD3 ARG 13 2HD ARG 13 4.720 9.606 -5.483 74 HE ARG 13 HE ARG 13 3.977 10.830 -7.365 75 HH11 ARG 13 1HH1 ARG 13 5.530 12.767 -4.840 76 HH12 ARG 13 2HH1 ARG 13 5.617 14.205 -5.768 77 HH21 ARG 13 1HH2 ARG 13 4.250 12.599 -8.707 78 HH22 ARG 13 2HH2 ARG 13 4.919 14.073 -8.109 79 H THR 14 H THR 14 1.211 8.200 -0.616 80 HA THR 14 HA THR 14 2.283 5.518 -1.167 81 HB THR 14 HB THR 14 2.127 7.303 1.277 82 HG1 THR 14 1HG THR 14 3.595 7.995 -0.257 83 HG21 THR 14 3HG2 THR 14 3.778 5.753 2.303 84 HG22 THR 14 1HG2 THR 14 3.520 4.607 0.978 85 HG23 THR 14 2HG2 THR 14 2.193 4.991 2.099 86 H VAL 15 H VAL 15 1.398 3.599 -0.312 87 HA VAL 15 HA VAL 15 -1.413 3.750 0.671 88 HB VAL 15 HB VAL 15 -1.702 1.558 -0.607 89 HG11 VAL 15 1HG1 VAL 15 -2.349 2.770 -2.651 90 HG12 VAL 15 2HG1 VAL 15 -2.777 3.667 -1.187 91 HG13 VAL 15 3HG1 VAL 15 -1.363 4.155 -2.133 92 HG21 VAL 15 3HG2 VAL 15 0.682 2.546 -2.257 93 HG22 VAL 15 1HG2 VAL 15 0.729 1.194 -1.140 94 HG23 VAL 15 2HG2 VAL 15 -0.304 1.106 -2.578 95 H PHE 16 H PHE 16 -1.956 2.468 2.304 96 HA PHE 16 HA PHE 16 0.258 1.133 3.714 97 HB3 PHE 16 2HB PHE 16 -2.363 2.294 4.678 98 HD1 PHE 16 1HD PHE 16 0.868 0.664 5.806 99 HD2 PHE 16 2HD PHE 16 -3.212 1.665 6.756 100 HE1 PHE 16 1HE PHE 16 0.999 -0.720 7.837 101 HE2 PHE 16 2HE PHE 16 -3.020 0.381 8.881 102 HZ PHE 16 HZ PHE 16 -0.942 -0.847 9.387 103 H CYS 17 H CYS 17 0.346 -0.901 3.280 104 HA CYS 17 HA CYS 17 -1.988 -2.533 2.502 105 HB3 CYS 17 2HB CYS 17 -0.247 -4.129 1.800 106 HG CYS 17 HG CYS 17 0.995 -2.912 -0.153 107 H MET 18 H MET 18 -2.932 -2.634 4.677 108 HA MET 18 HA MET 18 -1.249 -3.723 6.751 109 HB3 MET 18 2HB MET 18 -4.141 -2.968 7.096 110 HG3 MET 18 2HG MET 18 -1.669 -3.045 8.884 111 HE1 MET 18 3HE MET 18 -5.366 -3.700 9.689 112 HE2 MET 18 1HE MET 18 -5.885 -2.255 10.584 113 HE3 MET 18 2HE MET 18 -5.622 -2.156 8.834 114 H GLN 19 H GLN 19 -1.594 -5.761 4.815 115 HA GLN 19 HA GLN 19 -3.011 -7.808 6.379 116 HB3 GLN 19 2HB GLN 19 -4.126 -7.802 3.634 117 HG3 GLN 19 2HG GLN 19 -5.177 -7.866 6.487 118 HE21 GLN 19 1HE2 GLN 19 -6.263 -7.622 3.044 119 HE22 GLN 19 2HE2 GLN 19 -7.927 -7.257 3.469 120 H LEU 20 H LEU 20 -0.289 -7.417 5.464 121 HA LEU 20 HA LEU 20 0.280 -9.061 3.231 122 HB3 LEU 20 2HB LEU 20 2.564 -8.936 3.786 123 HG LEU 20 HG LEU 20 1.564 -6.385 5.082 124 HD11 LEU 20 1HD1 LEU 20 3.970 -6.940 3.307 125 HD12 LEU 20 2HD1 LEU 20 3.998 -6.767 5.079 126 HD13 LEU 20 3HD1 LEU 20 3.541 -5.392 4.068 127 HD21 LEU 20 3HD2 LEU 20 0.203 -6.383 3.194 128 HD22 LEU 20 1HD2 LEU 20 1.411 -7.161 2.173 129 HD23 LEU 20 2HD2 LEU 20 1.602 -5.459 2.683 130 H ALA 21 H ALA 21 1.270 -11.199 3.105 131 HA ALA 21 HA ALA 21 0.284 -13.035 5.157 132 HB1 ALA 21 1HB ALA 21 1.047 -14.823 3.640 133 HB2 ALA 21 2HB ALA 21 -0.111 -13.723 2.919 134 HB3 ALA 21 3HB ALA 21 1.643 -13.596 2.512 135 H ALA 22 H ALA 22 1.752 -14.827 5.821 136 HA ALA 22 HA ALA 22 3.772 -13.795 7.429 137 HB1 ALA 22 1HB ALA 22 4.135 -16.109 8.096 138 HB2 ALA 22 2HB ALA 22 2.399 -15.876 7.807 139 HB3 ALA 22 3HB ALA 22 3.401 -16.699 6.590 140 H ARG 23 H ARG 23 4.101 -15.038 4.201 141 HA ARG 23 HA ARG 23 7.034 -15.475 4.506 142 HB3 ARG 23 2HB ARG 23 5.110 -16.788 2.538 143 HG3 ARG 23 2HG ARG 23 8.001 -17.138 3.203 144 HD3 ARG 23 2HD ARG 23 7.105 -19.131 4.298 145 HE ARG 23 HE ARG 23 5.435 -19.378 1.932 146 HH11 ARG 23 1HH1 ARG 23 7.144 -21.358 4.339 147 HH12 ARG 23 2HH1 ARG 23 5.824 -22.466 4.554 148 HH21 ARG 23 1HH2 ARG 23 3.832 -21.005 2.021 149 HH22 ARG 23 2HH2 ARG 23 4.136 -22.509 2.839 150 H ILE 24 H ILE 24 5.283 -13.015 3.564 151 HA ILE 24 HA ILE 24 5.580 -12.624 0.834 152 HB ILE 24 HB ILE 24 4.067 -11.481 2.388 153 HG13 ILE 24 2HG1 ILE 24 5.133 -10.504 0.121 154 HG21 ILE 24 1HG2 ILE 24 4.747 -9.574 3.764 155 HG22 ILE 24 2HG2 ILE 24 5.593 -11.031 4.296 156 HG23 ILE 24 3HG2 ILE 24 6.442 -9.818 3.325 157 HD11 ILE 24 3HD1 ILE 24 3.191 -8.846 1.720 158 HD12 ILE 24 1HD1 ILE 24 3.349 -8.970 -0.036 159 HD13 ILE 24 2HD1 ILE 24 2.754 -10.360 0.881 160 H ARG 25 H ARG 25 7.058 -11.640 -0.473 161 HA ARG 25 HA ARG 25 9.785 -10.992 0.575 162 HB3 ARG 25 2HB ARG 25 10.037 -10.505 -2.023 163 HG3 ARG 25 2HG ARG 25 9.679 -13.453 -1.552 164 HD3 ARG 25 2HD ARG 25 12.021 -11.773 -2.583 165 HE ARG 25 HE ARG 25 12.931 -13.852 -2.590 166 HH11 ARG 25 1HH1 ARG 25 9.568 -14.139 -3.658 167 HH12 ARG 25 2HH1 ARG 25 9.738 -15.661 -4.417 168 HH21 ARG 25 1HH2 ARG 25 13.179 -16.011 -3.598 169 HH22 ARG 25 2HH2 ARG 25 11.887 -16.591 -4.629 170 HA PRO 26 HA PRO 26 8.745 -6.630 0.272 171 HB3 PRO 26 2HB PRO 26 10.925 -5.960 0.635 172 HG3 PRO 26 2HG PRO 26 12.731 -7.265 -0.088 173 HD3 PRO 26 2HD PRO 26 11.275 -8.761 1.040 174 H ARG 27 H ARG 27 10.088 -8.092 -2.763 175 HA ARG 27 HA ARG 27 8.868 -6.223 -4.459 176 HB3 ARG 27 2HB ARG 27 9.389 -9.093 -5.290 177 HG3 ARG 27 2HG ARG 27 9.822 -6.404 -6.667 178 HD3 ARG 27 2HD ARG 27 9.676 -7.952 -8.734 179 HE ARG 27 HE ARG 27 11.829 -6.958 -7.513 180 HH11 ARG 27 1HH1 ARG 27 11.134 -9.957 -9.276 181 HH12 ARG 27 2HH1 ARG 27 12.707 -10.098 -9.974 182 HH21 ARG 27 1HH2 ARG 27 13.986 -7.387 -8.030 183 HH22 ARG 27 2HH2 ARG 27 14.475 -8.640 -9.105 184 H ASP 28 H ASP 28 7.231 -8.879 -2.773 185 HA ASP 28 HA ASP 28 5.199 -9.319 -4.734 186 HB3 ASP 28 2HB ASP 28 3.777 -10.038 -2.775 187 H LEU 29 H LEU 29 5.781 -6.655 -2.581 188 HA LEU 29 HA LEU 29 3.045 -5.632 -2.587 189 HB3 LEU 29 2HB LEU 29 4.114 -3.673 -1.480 190 HG LEU 29 HG LEU 29 4.536 -4.498 0.605 191 HD11 LEU 29 1HD1 LEU 29 2.310 -5.246 -0.183 192 HD12 LEU 29 2HD1 LEU 29 3.030 -6.338 1.025 193 HD13 LEU 29 3HD1 LEU 29 3.034 -6.803 -0.674 194 HD21 LEU 29 3HD2 LEU 29 6.523 -5.872 0.178 195 HD22 LEU 29 1HD2 LEU 29 5.503 -7.183 -0.453 196 HD23 LEU 29 2HD2 LEU 29 5.380 -6.688 1.239 197 H GLU 30 H GLU 30 5.854 -5.207 -4.720 198 HA GLU 30 HA GLU 30 4.459 -2.917 -5.995 199 HB3 GLU 30 2HB GLU 30 6.624 -2.223 -5.894 200 HG3 GLU 30 2HG GLU 30 7.528 -5.062 -6.416 201 H GLU 31 H GLU 31 5.549 -6.299 -6.534 202 HA GLU 31 HA GLU 31 4.899 -6.496 -9.248 203 HB3 GLU 31 2HB GLU 31 4.432 -9.022 -8.463 204 HG3 GLU 31 2HG GLU 31 7.051 -9.106 -7.950 205 H PHE 32 H PHE 32 2.687 -6.452 -6.516 206 HA PHE 32 HA PHE 32 0.381 -7.413 -8.039 207 HB3 PHE 32 2HB PHE 32 0.522 -5.837 -5.448 208 HD1 PHE 32 1HD PHE 32 -1.505 -8.291 -7.511 209 HD2 PHE 32 2HD PHE 32 -1.560 -5.059 -4.657 210 HE1 PHE 32 1HE PHE 32 -3.923 -8.337 -7.544 211 HE2 PHE 32 2HE PHE 32 -4.042 -5.109 -4.678 212 HZ PHE 32 HZ PHE 32 -5.246 -6.731 -6.094 213 H PHE 33 H PHE 33 1.260 -4.111 -6.782 214 HA PHE 33 HA PHE 33 -0.784 -2.893 -8.345 215 HB3 PHE 33 2HB PHE 33 0.119 -0.818 -7.660 216 HD1 PHE 33 2HD PHE 33 -1.905 -2.446 -6.310 217 HD2 PHE 33 1HD PHE 33 2.008 -1.202 -4.908 218 HE1 PHE 33 2HE PHE 33 -2.598 -2.715 -3.955 219 HE2 PHE 33 1HE PHE 33 1.270 -1.521 -2.610 220 HZ PHE 33 HZ PHE 33 -1.027 -2.224 -2.111 221 H SER 34 H SER 34 2.529 -3.709 -9.178 222 HA SER 34 HA SER 34 2.857 -1.989 -11.397 223 HB3 SER 34 2HB SER 34 4.051 -4.772 -11.060 224 HG SER 34 HG SER 34 5.049 -4.065 -12.784 225 H THR 35 H THR 35 0.471 -4.457 -11.036 226 HA THR 35 HA THR 35 0.113 -5.167 -13.756 227 HB THR 35 HB THR 35 -1.110 -5.998 -11.712 228 HG1 THR 35 1HG THR 35 -2.877 -5.224 -13.775 229 HG21 THR 35 3HG2 THR 35 -3.125 -4.894 -10.979 230 HG22 THR 35 1HG2 THR 35 -2.940 -3.624 -12.185 231 HG23 THR 35 2HG2 THR 35 -1.796 -3.743 -10.824 232 H VAL 36 H VAL 36 -0.306 -2.029 -12.077 233 HA VAL 36 HA VAL 36 -0.566 -0.717 -14.679 234 HB VAL 36 HB VAL 36 -2.343 0.782 -13.767 235 HG11 VAL 36 1HG1 VAL 36 -2.775 -1.012 -15.464 236 HG12 VAL 36 2HG1 VAL 36 -3.341 -2.061 -14.145 237 HG13 VAL 36 3HG1 VAL 36 -4.176 -0.534 -14.507 238 HG21 VAL 36 3HG2 VAL 36 -2.224 0.138 -11.363 239 HG22 VAL 36 1HG2 VAL 36 -3.853 -0.072 -12.019 240 HG23 VAL 36 2HG2 VAL 36 -2.807 -1.474 -11.761 241 H GLY 37 H GLY 37 1.770 -0.696 -13.628 242 HA2 GLY 37 1HA GLY 37 2.767 1.346 -14.287 243 HA3 GLY 37 2HA GLY 37 1.790 2.235 -13.137 244 H LYS 38 H LYS 38 4.101 3.031 -13.023 245 HA LYS 38 HA LYS 38 6.013 1.120 -12.092 246 HB3 LYS 38 2HB LYS 38 6.345 2.553 -14.046 247 HG3 LYS 38 2HG LYS 38 5.887 4.824 -12.173 248 HD3 LYS 38 2HD LYS 38 8.261 4.601 -11.999 249 HE3 LYS 38 2HE LYS 38 8.230 5.328 -14.987 250 HZ1 LYS 38 3HZ LYS 38 10.405 5.318 -12.978 251 HZ2 LYS 38 1HZ LYS 38 9.914 6.562 -13.949 252 HZ3 LYS 38 2HZ LYS 38 10.702 5.294 -14.606 253 H VAL 39 H VAL 39 4.755 1.240 -9.966 254 HA VAL 39 HA VAL 39 5.382 3.099 -7.890 255 HB VAL 39 HB VAL 39 3.744 1.725 -7.211 256 HG11 VAL 39 1HG1 VAL 39 3.918 -0.167 -8.692 257 HG12 VAL 39 2HG1 VAL 39 5.407 -0.724 -7.875 258 HG13 VAL 39 3HG1 VAL 39 3.841 -0.696 -7.013 259 HG21 VAL 39 3HG2 VAL 39 5.484 2.029 -5.405 260 HG22 VAL 39 1HG2 VAL 39 4.491 0.578 -5.221 261 HG23 VAL 39 2HG2 VAL 39 6.134 0.416 -5.814 262 H ARG 40 H ARG 40 6.898 3.519 -6.544 263 HA ARG 40 HA ARG 40 9.347 3.418 -8.071 264 HB3 ARG 40 2HB ARG 40 8.459 5.122 -5.706 265 HG3 ARG 40 2HG ARG 40 10.821 5.245 -7.650 266 HD3 ARG 40 2HD ARG 40 10.075 7.285 -5.531 267 HE ARG 40 HE ARG 40 11.421 8.009 -8.010 268 HH11 ARG 40 1HH1 ARG 40 11.971 7.041 -4.601 269 HH12 ARG 40 2HH1 ARG 40 13.548 7.712 -4.547 270 HH21 ARG 40 1HH2 ARG 40 13.504 8.895 -7.885 271 HH22 ARG 40 2HH2 ARG 40 14.507 8.639 -6.489 272 H ASP 41 H ASP 41 8.275 2.712 -4.744 273 HA ASP 41 HA ASP 41 10.145 0.606 -4.546 274 HB3 ASP 41 2HB ASP 41 10.724 2.832 -2.583 275 H VAL 42 H VAL 42 9.876 -0.580 -2.607 276 HA VAL 42 HA VAL 42 7.291 -0.224 -1.209 277 HB VAL 42 HB VAL 42 9.301 -2.510 -1.116 278 HG11 VAL 42 1HG1 VAL 42 6.351 -2.502 -0.354 279 HG12 VAL 42 2HG1 VAL 42 7.498 -3.849 -0.222 280 HG13 VAL 42 3HG1 VAL 42 7.682 -2.439 0.813 281 HG21 VAL 42 3HG2 VAL 42 6.807 -2.224 -2.854 282 HG22 VAL 42 1HG2 VAL 42 8.482 -2.320 -3.424 283 HG23 VAL 42 2HG2 VAL 42 7.746 -3.709 -2.648 284 H ARG 43 H ARG 43 7.228 0.009 1.095 285 HA ARG 43 HA ARG 43 9.785 0.101 2.532 286 HB3 ARG 43 2HB ARG 43 7.772 2.380 2.439 287 HG3 ARG 43 2HG ARG 43 9.813 1.635 4.504 288 HD3 ARG 43 2HD ARG 43 9.166 4.489 3.634 289 HE ARG 43 HE ARG 43 9.515 4.905 5.815 290 HH11 ARG 43 1HH1 ARG 43 11.893 2.531 4.772 291 HH12 ARG 43 2HH1 ARG 43 12.484 2.096 6.322 292 HH21 ARG 43 1HH2 ARG 43 10.480 4.622 7.935 293 HH22 ARG 43 2HH2 ARG 43 11.712 3.441 8.198 294 H MET 44 H MET 44 9.529 -1.170 4.312 295 HA MET 44 HA MET 44 6.829 -1.782 5.290 296 HB3 MET 44 2HB MET 44 7.321 -3.305 3.313 297 HG3 MET 44 2HG MET 44 8.889 -5.136 5.019 298 HE1 MET 44 3HE MET 44 9.472 -2.691 2.089 299 HE2 MET 44 1HE MET 44 11.069 -3.381 2.407 300 HE3 MET 44 2HE MET 44 10.254 -3.711 0.863 301 H ILE 45 H ILE 45 6.888 -3.304 7.136 302 HA ILE 45 HA ILE 45 9.281 -2.623 8.794 303 HB ILE 45 HB ILE 45 6.432 -2.718 9.809 304 HG13 ILE 45 2HG1 ILE 45 7.897 -0.432 8.504 305 HG21 ILE 45 1HG2 ILE 45 8.211 -3.001 11.486 306 HG22 ILE 45 2HG2 ILE 45 9.025 -1.529 10.886 307 HG23 ILE 45 3HG2 ILE 45 7.437 -1.428 11.659 308 HD11 ILE 45 3HD1 ILE 45 5.835 -1.358 7.372 309 HD12 ILE 45 1HD1 ILE 45 4.921 -0.985 8.849 310 HD13 ILE 45 2HD1 ILE 45 5.662 0.319 7.908 311 H SER 46 H SER 46 10.402 -4.462 9.130 312 HA SER 46 HA SER 46 8.884 -6.637 10.495 313 HB3 SER 46 2HB SER 46 10.990 -7.970 10.156 314 HG SER 46 HG SER 46 10.401 -7.198 7.584 315 H ASP 47 H ASP 47 10.208 -3.901 11.243 316 HA ASP 47 HA ASP 47 12.151 -4.486 13.300 317 HB3 ASP 47 2HB ASP 47 12.093 -2.084 13.772 318 H ARG 48 H ARG 48 10.926 -5.936 14.565 319 HA ARG 48 HA ARG 48 10.075 -4.736 16.933 320 HB3 ARG 48 2HB ARG 48 7.673 -6.269 16.460 321 HG3 ARG 48 2HG ARG 48 6.560 -4.046 16.834 322 HD3 ARG 48 2HD ARG 48 8.761 -4.677 18.850 323 HE ARG 48 HE ARG 48 6.874 -2.575 18.770 324 HH11 ARG 48 1HH1 ARG 48 8.278 -4.860 21.097 325 HH12 ARG 48 2HH1 ARG 48 7.798 -3.945 22.469 326 HH21 ARG 48 1HH2 ARG 48 6.040 -1.506 20.571 327 HH22 ARG 48 2HH2 ARG 48 6.313 -2.097 22.176 328 H ASN 49 H ASN 49 9.619 -7.518 14.916 329 HA ASN 49 HA ASN 49 9.966 -9.727 15.000 330 HB3 ASN 49 2HB ASN 49 11.925 -10.563 16.087 331 HD21 ASN 49 1HD2 ASN 49 13.138 -7.287 16.326 332 HD22 ASN 49 2HD2 ASN 49 13.667 -7.137 14.672 333 H SER 50 H SER 50 10.355 -8.857 18.398 334 HA SER 50 HA SER 50 9.182 -11.083 19.647 335 HB3 SER 50 2HB SER 50 9.568 -8.171 20.411 336 HG SER 50 HG SER 50 8.922 -10.260 22.225 337 H ARG 51 H ARG 51 7.589 -8.126 18.355 338 HA ARG 51 HA ARG 51 5.090 -9.593 18.288 339 HB3 ARG 51 2HB ARG 51 4.712 -6.967 19.703 340 HG3 ARG 51 2HG ARG 51 3.105 -9.141 19.144 341 HD3 ARG 51 2HD ARG 51 4.605 -10.127 21.238 342 HE ARG 51 HE ARG 51 2.190 -8.769 22.356 343 HH11 ARG 51 1HH1 ARG 51 5.217 -10.508 23.231 344 HH12 ARG 51 2HH1 ARG 51 5.104 -9.961 24.882 345 HH21 ARG 51 1HH2 ARG 51 2.085 -8.201 24.379 346 HH22 ARG 51 2HH2 ARG 51 3.257 -8.651 25.593 347 H ARG 52 H ARG 52 5.080 -9.226 16.013 348 HA ARG 52 HA ARG 52 4.833 -6.372 15.270 349 HB3 ARG 52 2HB ARG 52 6.854 -6.844 14.351 350 HG3 ARG 52 2HG ARG 52 5.549 -8.729 12.524 351 HD3 ARG 52 2HD ARG 52 8.442 -8.342 13.421 352 HE ARG 52 HE ARG 52 7.229 -10.117 11.387 353 HH11 ARG 52 1HH1 ARG 52 10.364 -8.721 12.476 354 HH12 ARG 52 2HH1 ARG 52 11.232 -10.144 12.060 355 HH21 ARG 52 1HH2 ARG 52 8.433 -11.682 10.458 356 HH22 ARG 52 2HH2 ARG 52 10.164 -11.768 10.639 357 H SER 53 H SER 53 3.141 -5.763 13.931 358 HA SER 53 HA SER 53 0.945 -7.466 13.917 359 HB3 SER 53 2HB SER 53 -0.162 -5.671 12.881 360 HG SER 53 HG SER 53 0.578 -4.715 14.697 361 H LYS 54 H LYS 54 3.652 -7.918 12.016 362 HA LYS 54 HA LYS 54 4.058 -9.269 10.186 363 HB3 LYS 54 2HB LYS 54 2.821 -11.381 10.229 364 HG3 LYS 54 2HG LYS 54 2.697 -11.082 13.129 365 HD3 LYS 54 2HD LYS 54 4.860 -12.547 12.852 366 HE3 LYS 54 2HE LYS 54 1.982 -13.146 12.225 367 HZ1 LYS 54 3HZ LYS 54 2.787 -14.716 10.860 368 HZ2 LYS 54 1HZ LYS 54 2.695 -15.531 12.285 369 HZ3 LYS 54 2HZ LYS 54 4.175 -15.037 11.700 370 H GLY 55 H GLY 55 2.663 -6.969 9.311 371 HA2 GLY 55 1HA GLY 55 1.160 -7.761 6.977 372 HA3 GLY 55 2HA GLY 55 0.116 -7.565 8.379 373 H ILE 56 H ILE 56 3.054 -5.702 7.293 374 HA ILE 56 HA ILE 56 1.426 -3.295 7.058 375 HB ILE 56 HB ILE 56 2.993 -2.123 8.701 376 HG13 ILE 56 2HG1 ILE 56 4.625 -3.983 9.054 377 HG21 ILE 56 1HG2 ILE 56 0.528 -2.676 8.998 378 HG22 ILE 56 2HG2 ILE 56 1.027 -4.032 10.005 379 HG23 ILE 56 3HG2 ILE 56 1.451 -2.371 10.475 380 HD11 ILE 56 3HD1 ILE 56 4.912 -3.886 11.416 381 HD12 ILE 56 1HD1 ILE 56 4.271 -2.301 10.928 382 HD13 ILE 56 2HD1 ILE 56 3.208 -3.515 11.687 383 H ALA 57 H ALA 57 2.082 -2.335 5.283 384 HA ALA 57 HA ALA 57 4.857 -1.572 5.068 385 HB1 ALA 57 1HB ALA 57 4.840 -3.552 3.562 386 HB2 ALA 57 2HB ALA 57 3.394 -2.927 2.737 387 HB3 ALA 57 3HB ALA 57 4.936 -2.065 2.604 388 H TYR 58 H TYR 58 4.993 0.443 4.015 389 HA TYR 58 HA TYR 58 2.490 1.791 3.129 390 HB3 TYR 58 2HB TYR 58 3.525 3.889 3.878 391 HD1 TYR 58 1HD TYR 58 4.355 1.288 6.392 392 HD2 TYR 58 2HD TYR 58 1.654 4.428 5.248 393 HE1 TYR 58 1HE TYR 58 3.290 1.102 8.577 394 HE2 TYR 58 2HE TYR 58 0.590 4.326 7.489 395 HH TYR 58 HH TYR 58 1.008 1.826 9.784 396 H VAL 59 H VAL 59 2.917 1.159 0.956 397 HA VAL 59 HA VAL 59 5.627 1.581 -0.126 398 HB VAL 59 HB VAL 59 5.100 -0.608 -0.404 399 HG11 VAL 59 1HG1 VAL 59 2.392 0.042 -1.533 400 HG12 VAL 59 2HG1 VAL 59 3.062 -1.572 -1.235 401 HG13 VAL 59 3HG1 VAL 59 2.655 -0.536 0.130 402 HG21 VAL 59 3HG2 VAL 59 4.201 0.621 -3.037 403 HG22 VAL 59 1HG2 VAL 59 5.866 0.336 -2.609 404 HG23 VAL 59 2HG2 VAL 59 4.768 -1.037 -2.833 405 H GLU 60 H GLU 60 6.105 2.682 -2.071 406 HA GLU 60 HA GLU 60 4.396 5.091 -2.055 407 HB3 GLU 60 2HB GLU 60 6.391 6.352 -2.048 408 HG3 GLU 60 2HG GLU 60 7.024 4.121 -0.070 409 H PHE 61 H PHE 61 3.224 4.878 -4.004 410 HA PHE 61 HA PHE 61 4.359 4.220 -6.471 411 HB3 PHE 61 2HB PHE 61 2.119 5.989 -6.813 412 HD1 PHE 61 2HD PHE 61 2.774 4.604 -9.006 413 HD2 PHE 61 1HD PHE 61 0.930 2.949 -5.506 414 HE1 PHE 61 2HE PHE 61 2.035 2.658 -10.328 415 HE2 PHE 61 1HE PHE 61 0.098 1.077 -6.816 416 HZ PHE 61 HZ PHE 61 0.690 0.867 -9.264 417 H VAL 62 H VAL 62 4.051 5.822 -8.267 418 HA VAL 62 HA VAL 62 5.999 7.961 -7.936 419 HB VAL 62 HB VAL 62 5.711 7.758 -10.570 420 HG11 VAL 62 1HG1 VAL 62 6.639 5.381 -8.876 421 HG12 VAL 62 2HG1 VAL 62 7.245 5.852 -10.470 422 HG13 VAL 62 3HG1 VAL 62 7.555 6.886 -9.106 423 HG21 VAL 62 3HG2 VAL 62 4.494 6.160 -11.510 424 HG22 VAL 62 1HG2 VAL 62 4.630 5.044 -10.123 425 HG23 VAL 62 2HG2 VAL 62 3.461 6.401 -10.156 426 H ASP 63 H ASP 63 2.593 7.452 -8.570 427 HA ASP 63 HA ASP 63 2.074 10.321 -9.049 428 HB3 ASP 63 2HB ASP 63 0.305 9.266 -10.546 429 H VAL 64 H VAL 64 0.215 11.085 -8.156 430 HA VAL 64 HA VAL 64 -0.670 9.819 -5.742 431 HB VAL 64 HB VAL 64 -0.332 12.152 -5.814 432 HG11 VAL 64 1HG1 VAL 64 -2.443 12.391 -8.000 433 HG12 VAL 64 2HG1 VAL 64 -1.713 13.740 -7.114 434 HG13 VAL 64 3HG1 VAL 64 -0.707 12.743 -8.148 435 HG21 VAL 64 3HG2 VAL 64 -2.363 13.070 -4.874 436 HG22 VAL 64 1HG2 VAL 64 -3.352 11.803 -5.609 437 HG23 VAL 64 2HG2 VAL 64 -2.181 11.401 -4.332 438 H SER 65 H SER 65 -1.900 9.559 -9.037 439 HA SER 65 HA SER 65 -4.677 9.169 -8.287 440 HB3 SER 65 2HB SER 65 -4.086 9.962 -10.495 441 HG SER 65 HG SER 65 -3.104 7.479 -11.240 442 H SER 66 H SER 66 -1.795 7.071 -8.224 443 HA SER 66 HA SER 66 -3.250 4.682 -8.442 444 HB3 SER 66 2HB SER 66 -1.312 3.617 -8.048 445 HG SER 66 HG SER 66 -0.619 4.633 -9.753 446 H VAL 67 H VAL 67 -2.945 6.900 -5.742 447 HA VAL 67 HA VAL 67 -3.008 5.041 -3.609 448 HB VAL 67 HB VAL 67 -3.846 7.957 -3.749 449 HG11 VAL 67 1HG1 VAL 67 -3.462 7.808 -1.221 450 HG12 VAL 67 2HG1 VAL 67 -4.914 7.071 -1.846 451 HG13 VAL 67 3HG1 VAL 67 -3.526 6.049 -1.391 452 HG21 VAL 67 3HG2 VAL 67 -1.431 7.509 -4.242 453 HG22 VAL 67 1HG2 VAL 67 -1.669 8.360 -2.722 454 HG23 VAL 67 2HG2 VAL 67 -1.318 6.629 -2.691 455 HA PRO 68 HA PRO 68 -7.801 5.176 -3.660 456 HB3 PRO 68 2HB PRO 68 -8.682 7.188 -4.423 457 HG3 PRO 68 2HG PRO 68 -7.634 8.382 -6.225 458 HD3 PRO 68 2HD PRO 68 -6.039 8.009 -4.448 459 H LEU 69 H LEU 69 -5.744 4.473 -6.356 460 HA LEU 69 HA LEU 69 -7.453 2.766 -7.855 461 HB3 LEU 69 2HB LEU 69 -4.473 2.284 -7.670 462 HG LEU 69 HG LEU 69 -6.431 2.431 -9.995 463 HD11 LEU 69 1HD1 LEU 69 -4.520 1.999 -11.428 464 HD12 LEU 69 2HD1 LEU 69 -3.420 1.946 -10.023 465 HD13 LEU 69 3HD1 LEU 69 -4.219 3.458 -10.500 466 HD21 LEU 69 3HD2 LEU 69 -4.859 0.139 -8.736 467 HD22 LEU 69 1HD2 LEU 69 -5.607 0.050 -10.345 468 HD23 LEU 69 2HD2 LEU 69 -6.619 0.261 -8.927 469 H ALA 70 H ALA 70 -5.036 2.197 -5.293 470 HA ALA 70 HA ALA 70 -5.237 -0.561 -5.173 471 HB1 ALA 70 1HB ALA 70 -4.566 1.396 -2.930 472 HB2 ALA 70 2HB ALA 70 -4.248 -0.352 -2.886 473 HB3 ALA 70 3HB ALA 70 -3.431 0.641 -4.087 474 H ILE 71 H ILE 71 -7.293 1.849 -3.564 475 HA ILE 71 HA ILE 71 -8.717 0.196 -1.787 476 HB ILE 71 HB ILE 71 -9.477 2.693 -3.345 477 HG13 ILE 71 2HG1 ILE 71 -7.639 3.008 -1.833 478 HG21 ILE 71 1HG2 ILE 71 -11.384 3.024 -1.852 479 HG22 ILE 71 2HG2 ILE 71 -11.580 1.584 -2.827 480 HG23 ILE 71 3HG2 ILE 71 -11.101 1.420 -1.126 481 HD11 ILE 71 3HD1 ILE 71 -10.038 3.928 -0.226 482 HD12 ILE 71 1HD1 ILE 71 -8.404 4.566 -0.175 483 HD13 ILE 71 2HD1 ILE 71 -9.386 4.799 -1.638 484 H GLY 72 H GLY 72 -9.063 0.627 -5.290 485 HA2 GLY 72 1HA GLY 72 -11.510 -0.663 -5.682 486 HA3 GLY 72 2HA GLY 72 -10.179 -0.626 -6.843 487 H LEU 73 H LEU 73 -8.408 -2.149 -4.792 488 HA LEU 73 HA LEU 73 -9.355 -4.797 -5.792 489 HB3 LEU 73 2HB LEU 73 -7.199 -5.456 -6.113 490 HG LEU 73 HG LEU 73 -7.042 -2.486 -6.784 491 HD11 LEU 73 1HD1 LEU 73 -5.374 -3.184 -8.415 492 HD12 LEU 73 2HD1 LEU 73 -5.502 -4.870 -7.898 493 HD13 LEU 73 3HD1 LEU 73 -4.850 -3.636 -6.796 494 HD21 LEU 73 3HD2 LEU 73 -8.004 -4.856 -8.453 495 HD22 LEU 73 1HD2 LEU 73 -7.742 -3.209 -9.062 496 HD23 LEU 73 2HD2 LEU 73 -9.006 -3.523 -7.866 497 H THR 74 H THR 74 -9.596 -3.333 -2.878 498 HA THR 74 HA THR 74 -8.324 -4.787 -0.939 499 HB THR 74 HB THR 74 -9.635 -2.910 -0.406 500 HG1 THR 74 1HG THR 74 -9.327 -4.775 1.116 501 HG21 THR 74 3HG2 THR 74 -12.098 -3.071 -0.250 502 HG22 THR 74 1HG2 THR 74 -12.044 -4.654 -1.035 503 HG23 THR 74 2HG2 THR 74 -11.549 -3.210 -1.931 504 H GLY 75 H GLY 75 -10.909 -5.950 -2.883 505 HA2 GLY 75 1HA GLY 75 -11.494 -8.353 -1.326 506 HA3 GLY 75 2HA GLY 75 -12.145 -7.905 -2.899 507 H GLN 76 H GLN 76 -9.218 -7.556 -3.877 508 HA GLN 76 HA GLN 76 -8.942 -10.315 -4.910 509 HB3 GLN 76 2HB GLN 76 -7.300 -9.388 -6.390 510 HG3 GLN 76 2HG GLN 76 -9.342 -7.130 -6.210 511 HE21 GLN 76 1HE2 GLN 76 -6.515 -7.541 -7.614 512 HE22 GLN 76 2HE2 GLN 76 -6.914 -7.142 -9.265 513 H ARG 77 H ARG 77 -6.870 -11.368 -4.734 514 HA ARG 77 HA ARG 77 -4.940 -10.469 -2.771 515 HB3 ARG 77 2HB ARG 77 -6.298 -11.341 -1.138 516 HG3 ARG 77 2HG ARG 77 -6.972 -13.758 -2.799 517 HD3 ARG 77 2HD ARG 77 -7.787 -12.839 0.015 518 HE ARG 77 HE ARG 77 -9.394 -14.388 -1.168 519 HH11 ARG 77 1HH1 ARG 77 -6.853 -15.462 1.105 520 HH12 ARG 77 2HH1 ARG 77 -7.620 -17.020 1.302 521 HH21 ARG 77 1HH2 ARG 77 -10.211 -16.576 -0.951 522 HH22 ARG 77 2HH2 ARG 77 -9.433 -17.583 0.243 523 H VAL 78 H VAL 78 -3.130 -10.918 -3.698 524 HA VAL 78 HA VAL 78 -2.972 -13.197 -5.604 525 HB VAL 78 HB VAL 78 -0.606 -12.621 -5.951 526 HG11 VAL 78 1HG1 VAL 78 -1.002 -10.531 -7.166 527 HG12 VAL 78 2HG1 VAL 78 -2.355 -11.657 -7.359 528 HG13 VAL 78 3HG1 VAL 78 -2.512 -10.273 -6.264 529 HG21 VAL 78 3HG2 VAL 78 0.140 -11.624 -3.861 530 HG22 VAL 78 1HG2 VAL 78 0.309 -10.432 -5.144 531 HG23 VAL 78 2HG2 VAL 78 -1.045 -10.322 -4.014 532 H LEU 79 H LEU 79 -2.491 -15.197 -4.957 533 HA LEU 79 HA LEU 79 -1.964 -16.972 -3.596 534 HB3 LEU 79 2HB LEU 79 0.346 -17.029 -2.892 535 HG LEU 79 HG LEU 79 0.207 -15.254 -5.375 536 HD11 LEU 79 1HD1 LEU 79 2.322 -17.237 -4.486 537 HD12 LEU 79 2HD1 LEU 79 2.422 -15.469 -4.307 538 HD13 LEU 79 3HD1 LEU 79 2.347 -16.194 -5.920 539 HD21 LEU 79 3HD2 LEU 79 0.356 -17.433 -6.621 540 HD22 LEU 79 1HD2 LEU 79 -1.186 -17.215 -5.798 541 HD23 LEU 79 2HD2 LEU 79 0.052 -18.289 -5.111 542 H GLY 80 H GLY 80 -3.722 -15.267 -2.334 543 HA2 GLY 80 1HA GLY 80 -4.760 -15.114 -0.267 544 HA3 GLY 80 2HA GLY 80 -3.504 -16.125 0.409 545 H VAL 81 H VAL 81 -2.598 -13.090 -1.191 546 HA VAL 81 HA VAL 81 -2.230 -11.728 1.413 547 HB VAL 81 HB VAL 81 -0.816 -11.031 -1.188 548 HG11 VAL 81 1HG1 VAL 81 -0.164 -10.527 1.739 549 HG12 VAL 81 2HG1 VAL 81 0.650 -9.816 0.311 550 HG13 VAL 81 3HG1 VAL 81 -0.998 -9.349 0.709 551 HG21 VAL 81 3HG2 VAL 81 1.185 -12.151 -0.274 552 HG22 VAL 81 1HG2 VAL 81 0.172 -12.854 1.008 553 HG23 VAL 81 2HG2 VAL 81 -0.079 -13.315 -0.675 554 HA PRO 82 HA PRO 82 -5.503 -9.368 -0.765 555 HB3 PRO 82 2HB PRO 82 -7.187 -10.473 0.554 556 HG3 PRO 82 2HG PRO 82 -6.720 -11.192 2.758 557 HD3 PRO 82 2HD PRO 82 -4.958 -12.153 1.556 558 H ILE 83 H ILE 83 -6.623 -7.070 0.321 559 HA ILE 83 HA ILE 83 -4.545 -5.650 1.839 560 HB ILE 83 HB ILE 83 -3.943 -5.424 -0.475 561 HG13 ILE 83 2HG1 ILE 83 -3.613 -3.573 1.224 562 HG21 ILE 83 1HG2 ILE 83 -5.227 -4.493 -2.212 563 HG22 ILE 83 2HG2 ILE 83 -6.375 -5.546 -1.429 564 HG23 ILE 83 3HG2 ILE 83 -6.429 -3.800 -1.111 565 HD11 ILE 83 3HD1 ILE 83 -2.376 -3.590 -0.898 566 HD12 ILE 83 1HD1 ILE 83 -3.707 -2.706 -1.687 567 HD13 ILE 83 2HD1 ILE 83 -2.797 -1.941 -0.379 568 H ILE 84 H ILE 84 -5.249 -3.531 2.576 569 HA ILE 84 HA ILE 84 -8.158 -3.490 3.138 570 HB ILE 84 HB ILE 84 -5.893 -2.243 4.750 571 HG13 ILE 84 2HG1 ILE 84 -5.468 -4.458 5.089 572 HG21 ILE 84 1HG2 ILE 84 -7.584 -1.878 6.471 573 HG22 ILE 84 2HG2 ILE 84 -8.132 -1.120 4.999 574 HG23 ILE 84 3HG2 ILE 84 -8.827 -2.669 5.492 575 HD11 ILE 84 3HD1 ILE 84 -6.364 -5.387 7.091 576 HD12 ILE 84 1HD1 ILE 84 -6.267 -3.636 7.341 577 HD13 ILE 84 2HD1 ILE 84 -7.830 -4.402 6.972 578 H VAL 85 H VAL 85 -9.237 -1.707 2.660 579 HA VAL 85 HA VAL 85 -8.593 0.169 0.733 580 HB VAL 85 HB VAL 85 -10.640 -0.257 2.908 581 HG11 VAL 85 1HG1 VAL 85 -10.628 2.154 2.714 582 HG12 VAL 85 2HG1 VAL 85 -10.701 2.064 0.945 583 HG13 VAL 85 3HG1 VAL 85 -12.075 1.485 1.934 584 HG21 VAL 85 3HG2 VAL 85 -10.587 -0.530 -0.113 585 HG22 VAL 85 1HG2 VAL 85 -10.689 -1.791 1.109 586 HG23 VAL 85 2HG2 VAL 85 -12.057 -0.697 0.884 587 H GLN 86 H GLN 86 -7.478 0.277 3.959 588 HA GLN 86 HA GLN 86 -7.599 2.787 4.812 589 HB3 GLN 86 2HB GLN 86 -5.009 2.318 5.504 590 HG3 GLN 86 2HG GLN 86 -6.069 0.362 7.012 591 HE21 GLN 86 1HE2 GLN 86 -4.684 1.531 8.178 592 HE22 GLN 86 2HE2 GLN 86 -5.325 2.735 9.252 593 H ALA 87 H ALA 87 -5.001 1.789 2.617 594 HA ALA 87 HA ALA 87 -3.712 2.927 1.095 595 HB1 ALA 87 1HB ALA 87 -4.961 4.393 -0.394 596 HB2 ALA 87 2HB ALA 87 -5.943 2.997 0.081 597 HB3 ALA 87 3HB ALA 87 -6.230 4.584 0.831 598 H SER 88 H SER 88 -3.189 3.773 3.727 599 HA SER 88 HA SER 88 -2.198 5.360 4.995 600 HB3 SER 88 2HB SER 88 -1.141 6.847 2.617 601 HG SER 88 HG SER 88 0.701 6.760 3.998 602 H GLN 89 H GLN 89 -1.803 8.164 4.274 603 HA GLN 89 HA GLN 89 -4.410 9.350 4.954 604 HB3 GLN 89 2HB GLN 89 -3.184 11.476 4.113 605 HG3 GLN 89 2HG GLN 89 -1.501 11.416 6.094 606 HE21 GLN 89 1HE2 GLN 89 -4.827 10.182 6.977 607 HE22 GLN 89 2HE2 GLN 89 -5.307 11.753 7.562 608 H ALA 90 H ALA 90 -5.896 10.237 3.500 609 HA ALA 90 HA ALA 90 -5.311 10.632 0.743 610 HB1 ALA 90 1HB ALA 90 -6.997 9.013 -0.117 611 HB2 ALA 90 2HB ALA 90 -5.618 8.187 0.633 612 HB3 ALA 90 3HB ALA 90 -7.162 8.316 1.511 613 H GLU 91 H GLU 91 -6.890 11.899 -0.142 614 HA GLU 91 HA GLU 91 -8.916 13.294 1.334 615 HB3 GLU 91 2HB GLU 91 -7.860 13.241 -1.483 616 HG3 GLU 91 2HG GLU 91 -9.189 15.723 -1.137 617 H LYS 92 H LYS 92 -9.601 10.984 1.754 618 HA LYS 92 HA LYS 92 -12.037 10.386 0.060 619 HB3 LYS 92 2HB LYS 92 -11.773 8.017 0.581 620 HG3 LYS 92 2HG LYS 92 -9.102 7.784 0.047 621 HD3 LYS 92 2HD LYS 92 -11.017 6.799 -1.249 622 HE3 LYS 92 2HE LYS 92 -10.517 9.159 -3.112 623 HZ1 LYS 92 3HZ LYS 92 -12.740 7.244 -3.117 624 HZ2 LYS 92 1HZ LYS 92 -11.320 6.877 -3.856 625 HZ3 LYS 92 2HZ LYS 92 -12.186 8.174 -4.374 626 H ASN 93 H ASN 93 -13.831 9.337 1.387 627 HA ASN 93 HA ASN 93 -13.617 9.316 4.250 628 HB3 ASN 93 2HB ASN 93 -14.129 11.497 4.525 629 HD21 ASN 93 1HD2 ASN 93 -13.924 13.271 3.264 630 HD22 ASN 93 2HD2 ASN 93 -15.095 13.791 2.068 631 H ARG 94 H ARG 94 -14.196 7.177 4.240 632 HA ARG 94 HA ARG 94 -16.954 6.468 3.702 633 HB3 ARG 94 2HB ARG 94 -15.702 4.346 2.507 634 HG3 ARG 94 2HG ARG 94 -16.605 6.737 0.874 635 HD3 ARG 94 2HD ARG 94 -16.416 3.728 0.462 636 HE ARG 94 HE ARG 94 -17.989 5.670 -1.033 637 HH11 ARG 94 1HH1 ARG 94 -16.228 2.613 -1.219 638 HH12 ARG 94 2HH1 ARG 94 -17.247 1.918 -2.433 639 HH21 ARG 94 1HH2 ARG 94 -19.335 4.731 -2.696 640 HH22 ARG 94 2HH2 ARG 94 -18.790 3.314 -3.550 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -13.120 26.925 -5.713 2 HA2 GLY 1 1HA GLY 1 -13.896 26.283 -8.504 3 HA3 GLY 1 2HA GLY 1 -12.644 27.461 -8.049 4 H HIS 2 H HIS 2 -10.711 26.655 -6.988 5 HA HIS 2 HA HIS 2 -8.891 25.440 -6.901 6 HB3 HIS 2 2HB HIS 2 -9.817 22.744 -6.645 7 HD1 HIS 2 1HD HIS 2 -7.181 22.843 -5.777 8 HD2 HIS 2 2HD HIS 2 -10.070 24.894 -3.510 9 HE1 HIS 2 1HE HIS 2 -6.060 23.445 -3.578 10 H MET 3 H MET 3 -10.893 23.153 -8.832 11 HA MET 3 HA MET 3 -10.401 22.039 -10.774 12 HB3 MET 3 2HB MET 3 -9.984 23.584 -12.708 13 HG3 MET 3 2HG MET 3 -12.219 24.273 -10.773 14 HE1 MET 3 3HE MET 3 -12.364 25.054 -15.360 15 HE2 MET 3 1HE MET 3 -10.830 24.635 -14.575 16 HE3 MET 3 2HE MET 3 -12.161 23.460 -14.600 17 H ASN 4 H ASN 4 -8.548 21.150 -9.440 18 HA ASN 4 HA ASN 4 -6.540 20.552 -11.261 19 HB3 ASN 4 2HB ASN 4 -5.205 21.746 -8.812 20 HD21 ASN 4 1HD2 ASN 4 -4.680 22.512 -12.244 21 HD22 ASN 4 2HD2 ASN 4 -3.225 21.547 -12.426 22 H LEU 5 H LEU 5 -4.684 19.385 -9.497 23 HA LEU 5 HA LEU 5 -6.036 17.163 -8.239 24 HB3 LEU 5 2HB LEU 5 -3.162 18.155 -8.119 25 HG LEU 5 HG LEU 5 -2.460 15.954 -8.021 26 HD11 LEU 5 1HD1 LEU 5 -3.132 15.124 -5.930 27 HD12 LEU 5 2HD1 LEU 5 -4.677 15.983 -5.987 28 HD13 LEU 5 3HD1 LEU 5 -3.165 16.899 -5.845 29 HD21 LEU 5 3HD2 LEU 5 -5.335 14.952 -8.149 30 HD22 LEU 5 1HD2 LEU 5 -3.866 13.961 -8.025 31 HD23 LEU 5 2HD2 LEU 5 -4.160 14.908 -9.490 32 H THR 6 H THR 6 -7.187 17.654 -6.314 33 HA THR 6 HA THR 6 -6.661 19.928 -4.695 34 HB THR 6 HB THR 6 -8.178 18.536 -3.045 35 HG1 THR 6 1HG THR 6 -8.758 17.166 -5.430 36 HG21 THR 6 3HG2 THR 6 -9.287 19.370 -5.753 37 HG22 THR 6 1HG2 THR 6 -9.030 20.437 -4.352 38 HG23 THR 6 2HG2 THR 6 -10.194 19.104 -4.250 39 HA PRO 7 HA PRO 7 -3.563 18.758 -1.889 40 HB3 PRO 7 2HB PRO 7 -3.907 20.583 -0.572 41 HG3 PRO 7 2HG PRO 7 -6.043 21.492 -0.285 42 HD3 PRO 7 2HD PRO 7 -5.743 21.155 -2.608 43 H GLU 8 H GLU 8 -6.789 17.629 -0.622 44 HA GLU 8 HA GLU 8 -5.705 15.481 0.855 45 HB3 GLU 8 2HB GLU 8 -8.107 14.475 0.294 46 HG3 GLU 8 2HG GLU 8 -7.937 16.975 2.003 47 H GLU 9 H GLU 9 -6.583 15.643 -2.602 48 HA GLU 9 HA GLU 9 -6.368 12.794 -3.090 49 HB3 GLU 9 2HB GLU 9 -6.119 13.776 -5.514 50 HG3 GLU 9 2HG GLU 9 -8.689 14.775 -4.988 51 H ARG 10 H ARG 10 -4.074 15.526 -3.106 52 HA ARG 10 HA ARG 10 -1.979 13.968 -4.361 53 HB3 ARG 10 2HB ARG 10 -1.506 16.194 -2.368 54 HG3 ARG 10 2HG ARG 10 -0.059 15.765 -5.000 55 HD3 ARG 10 2HD ARG 10 0.591 16.955 -2.274 56 HE ARG 10 HE ARG 10 2.755 16.727 -4.231 57 HH11 ARG 10 1HH1 ARG 10 1.398 15.350 -1.170 58 HH12 ARG 10 2HH1 ARG 10 2.765 14.328 -0.953 59 HH21 ARG 10 1HH2 ARG 10 4.633 15.585 -3.655 60 HH22 ARG 10 2HH2 ARG 10 4.620 14.544 -2.268 61 H ASP 11 H ASP 11 -3.005 14.502 -1.001 62 HA ASP 11 HA ASP 11 -0.614 13.262 0.041 63 HB3 ASP 11 2HB ASP 11 -3.074 13.666 1.727 64 H ALA 12 H ALA 12 -3.807 12.163 -0.728 65 HA ALA 12 HA ALA 12 -3.909 9.725 0.788 66 HB1 ALA 12 1HB ALA 12 -5.441 10.719 -1.667 67 HB2 ALA 12 2HB ALA 12 -5.910 9.336 -0.674 68 HB3 ALA 12 3HB ALA 12 -5.904 10.946 0.041 69 H ARG 13 H ARG 13 -1.770 10.293 -1.672 70 HA ARG 13 HA ARG 13 -2.245 8.566 -3.683 71 HB3 ARG 13 2HB ARG 13 0.603 9.091 -2.916 72 HG3 ARG 13 2HG ARG 13 -1.161 10.054 -5.205 73 HD3 ARG 13 2HD ARG 13 1.865 9.658 -5.004 74 HE ARG 13 HE ARG 13 1.598 9.933 -7.239 75 HH11 ARG 13 1HH1 ARG 13 -0.549 12.254 -5.581 76 HH12 ARG 13 2HH1 ARG 13 -0.962 13.090 -7.077 77 HH21 ARG 13 1HH2 ARG 13 0.920 11.008 -9.161 78 HH22 ARG 13 2HH2 ARG 13 -0.143 12.408 -9.058 79 H THR 14 H THR 14 -1.886 7.237 -0.744 80 HA THR 14 HA THR 14 0.109 5.187 -1.546 81 HB THR 14 HB THR 14 -0.344 6.607 1.112 82 HG1 THR 14 1HG THR 14 1.640 7.565 0.605 83 HG21 THR 14 3HG2 THR 14 0.466 4.307 1.477 84 HG22 THR 14 1HG2 THR 14 1.704 5.508 1.887 85 HG23 THR 14 2HG2 THR 14 1.828 4.601 0.365 86 H VAL 15 H VAL 15 -0.364 3.013 -0.847 87 HA VAL 15 HA VAL 15 -3.116 2.640 0.214 88 HB VAL 15 HB VAL 15 -3.147 0.486 -1.007 89 HG11 VAL 15 1HG1 VAL 15 -3.960 1.488 -3.087 90 HG12 VAL 15 2HG1 VAL 15 -4.396 2.513 -1.712 91 HG13 VAL 15 3HG1 VAL 15 -3.035 2.969 -2.775 92 HG21 VAL 15 3HG2 VAL 15 -1.844 0.186 -3.068 93 HG22 VAL 15 1HG2 VAL 15 -0.905 1.651 -2.721 94 HG23 VAL 15 2HG2 VAL 15 -0.772 0.237 -1.661 95 H PHE 16 H PHE 16 -3.015 1.909 2.184 96 HA PHE 16 HA PHE 16 -0.616 0.658 3.314 97 HB3 PHE 16 2HB PHE 16 -3.370 1.292 4.388 98 HD1 PHE 16 1HD PHE 16 -0.042 -0.128 5.381 99 HD2 PHE 16 2HD PHE 16 -4.178 0.397 6.350 100 HE1 PHE 16 1HE PHE 16 0.075 -2.111 6.886 101 HE2 PHE 16 2HE PHE 16 -4.032 -1.545 7.947 102 HZ PHE 16 HZ PHE 16 -1.914 -2.767 8.221 103 H CYS 17 H CYS 17 -0.405 -1.502 3.277 104 HA CYS 17 HA CYS 17 -2.638 -3.187 2.231 105 HB3 CYS 17 2HB CYS 17 -0.804 -4.390 1.101 106 HG CYS 17 HG CYS 17 -0.059 -1.277 0.503 107 H MET 18 H MET 18 -3.246 -4.673 3.609 108 HA MET 18 HA MET 18 -1.474 -5.513 5.836 109 HB3 MET 18 2HB MET 18 -4.483 -5.029 5.910 110 HG3 MET 18 2HG MET 18 -2.450 -5.834 8.010 111 HE1 MET 18 3HE MET 18 -6.370 -5.632 8.397 112 HE2 MET 18 1HE MET 18 -6.566 -3.997 9.081 113 HE3 MET 18 2HE MET 18 -5.972 -4.200 7.419 114 H GLN 19 H GLN 19 -2.142 -7.714 6.590 115 HA GLN 19 HA GLN 19 -2.747 -9.854 6.440 116 HB3 GLN 19 2HB GLN 19 -4.196 -9.604 3.825 117 HG3 GLN 19 2HG GLN 19 -4.842 -11.146 6.373 118 HE21 GLN 19 1HE2 GLN 19 -6.344 -9.880 3.689 119 HE22 GLN 19 2HE2 GLN 19 -7.540 -11.148 3.524 120 H LEU 20 H LEU 20 -0.556 -8.276 4.903 121 HA LEU 20 HA LEU 20 0.185 -9.953 2.709 122 HB3 LEU 20 2HB LEU 20 2.306 -8.760 2.729 123 HG LEU 20 HG LEU 20 0.044 -6.861 3.527 124 HD11 LEU 20 1HD1 LEU 20 2.750 -6.254 2.297 125 HD12 LEU 20 2HD1 LEU 20 2.156 -5.793 3.892 126 HD13 LEU 20 3HD1 LEU 20 1.398 -5.114 2.459 127 HD21 LEU 20 3HD2 LEU 20 1.032 -7.840 0.820 128 HD22 LEU 20 1HD2 LEU 20 -0.069 -6.467 1.036 129 HD23 LEU 20 2HD2 LEU 20 -0.570 -8.082 1.530 130 H ALA 21 H ALA 21 2.384 -11.210 2.758 131 HA ALA 21 HA ALA 21 2.108 -13.269 4.748 132 HB1 ALA 21 1HB ALA 21 4.359 -12.788 2.739 133 HB2 ALA 21 2HB ALA 21 4.120 -14.255 3.697 134 HB3 ALA 21 3HB ALA 21 2.914 -13.790 2.492 135 H ALA 22 H ALA 22 3.541 -13.872 6.397 136 HA ALA 22 HA ALA 22 4.940 -11.789 7.831 137 HB1 ALA 22 1HB ALA 22 3.793 -13.680 8.930 138 HB2 ALA 22 2HB ALA 22 4.928 -14.823 8.168 139 HB3 ALA 22 3HB ALA 22 5.513 -13.645 9.353 140 H ARG 23 H ARG 23 5.874 -13.546 5.092 141 HA ARG 23 HA ARG 23 8.745 -12.979 5.530 142 HB3 ARG 23 2HB ARG 23 7.621 -15.412 4.096 143 HG3 ARG 23 2HG ARG 23 10.303 -14.337 4.552 144 HD3 ARG 23 2HD ARG 23 11.378 -16.361 5.400 145 HE ARG 23 HE ARG 23 9.500 -16.204 7.556 146 HH11 ARG 23 1HH1 ARG 23 12.236 -14.465 6.134 147 HH12 ARG 23 2HH1 ARG 23 12.207 -13.172 7.289 148 HH21 ARG 23 1HH2 ARG 23 9.428 -14.469 9.071 149 HH22 ARG 23 2HH2 ARG 23 10.453 -13.079 8.867 150 H ILE 24 H ILE 24 6.826 -11.234 4.169 151 HA ILE 24 HA ILE 24 6.940 -11.904 1.333 152 HB ILE 24 HB ILE 24 5.013 -10.726 2.450 153 HG13 ILE 24 2HG1 ILE 24 6.278 -10.309 -0.099 154 HG21 ILE 24 1HG2 ILE 24 6.160 -9.106 3.835 155 HG22 ILE 24 2HG2 ILE 24 6.772 -8.267 2.398 156 HG23 ILE 24 3HG2 ILE 24 5.030 -8.321 2.726 157 HD11 ILE 24 3HD1 ILE 24 3.367 -10.019 0.683 158 HD12 ILE 24 1HD1 ILE 24 4.018 -10.363 -0.935 159 HD13 ILE 24 2HD1 ILE 24 4.164 -11.582 0.343 160 H ARG 25 H ARG 25 8.328 -10.953 -0.193 161 HA ARG 25 HA ARG 25 10.792 -9.701 0.898 162 HB3 ARG 25 2HB ARG 25 10.967 -9.488 -1.863 163 HG3 ARG 25 2HG ARG 25 11.810 -11.883 -0.189 164 HD3 ARG 25 2HD ARG 25 13.621 -12.031 -1.958 165 HE ARG 25 HE ARG 25 11.126 -13.142 -1.990 166 HH11 ARG 25 1HH1 ARG 25 12.888 -11.929 -4.847 167 HH12 ARG 25 2HH1 ARG 25 12.259 -13.215 -5.834 168 HH21 ARG 25 1HH2 ARG 25 10.163 -14.467 -3.341 169 HH22 ARG 25 2HH2 ARG 25 10.567 -14.515 -5.041 170 HA PRO 26 HA PRO 26 9.179 -5.643 0.158 171 HB3 PRO 26 2HB PRO 26 11.078 -4.861 1.217 172 HG3 PRO 26 2HG PRO 26 13.237 -5.744 0.713 173 HD3 PRO 26 2HD PRO 26 11.897 -7.586 1.367 174 H ARG 27 H ARG 27 10.215 -7.511 -2.445 175 HA ARG 27 HA ARG 27 9.345 -5.416 -4.380 176 HB3 ARG 27 2HB ARG 27 11.023 -7.876 -4.952 177 HG3 ARG 27 2HG ARG 27 10.529 -5.332 -6.565 178 HD3 ARG 27 2HD ARG 27 12.035 -7.858 -7.361 179 HE ARG 27 HE ARG 27 12.365 -5.256 -8.669 180 HH11 ARG 27 1HH1 ARG 27 10.526 -8.360 -8.876 181 HH12 ARG 27 2HH1 ARG 27 9.861 -7.917 -10.410 182 HH21 ARG 27 1HH2 ARG 27 11.635 -4.919 -10.817 183 HH22 ARG 27 2HH2 ARG 27 10.554 -6.052 -11.551 184 H ASP 28 H ASP 28 8.095 -8.092 -2.696 185 HA ASP 28 HA ASP 28 6.767 -9.367 -4.999 186 HB3 ASP 28 2HB ASP 28 5.338 -10.464 -3.293 187 H LEU 29 H LEU 29 6.210 -6.671 -2.804 188 HA LEU 29 HA LEU 29 3.352 -6.639 -3.013 189 HB3 LEU 29 2HB LEU 29 3.492 -4.466 -1.897 190 HG LEU 29 HG LEU 29 4.277 -5.009 0.212 191 HD11 LEU 29 1HD1 LEU 29 3.688 -7.340 0.659 192 HD12 LEU 29 2HD1 LEU 29 3.899 -7.759 -1.044 193 HD13 LEU 29 3HD1 LEU 29 2.586 -6.691 -0.572 194 HD21 LEU 29 3HD2 LEU 29 6.254 -7.027 -0.882 195 HD22 LEU 29 1HD2 LEU 29 6.074 -6.467 0.786 196 HD23 LEU 29 2HD2 LEU 29 6.658 -5.352 -0.451 197 H GLU 30 H GLU 30 5.909 -4.498 -4.281 198 HA GLU 30 HA GLU 30 4.151 -2.821 -5.726 199 HB3 GLU 30 2HB GLU 30 6.322 -2.125 -5.037 200 HG3 GLU 30 2HG GLU 30 7.660 -3.804 -7.183 201 H GLU 31 H GLU 31 5.918 -5.785 -6.694 202 HA GLU 31 HA GLU 31 5.370 -5.530 -9.469 203 HB3 GLU 31 2HB GLU 31 5.909 -8.060 -9.421 204 HG3 GLU 31 2HG GLU 31 8.247 -7.640 -8.680 205 H PHE 32 H PHE 32 3.438 -6.804 -6.828 206 HA PHE 32 HA PHE 32 1.466 -8.138 -8.454 207 HB3 PHE 32 2HB PHE 32 1.240 -6.812 -5.739 208 HD1 PHE 32 2HD PHE 32 -0.256 -9.381 -8.087 209 HD2 PHE 32 1HD PHE 32 -0.921 -6.460 -4.999 210 HE1 PHE 32 2HE PHE 32 -2.670 -9.711 -8.299 211 HE2 PHE 32 1HE PHE 32 -3.356 -6.917 -5.079 212 HZ PHE 32 HZ PHE 32 -4.242 -8.519 -6.777 213 H PHE 33 H PHE 33 1.691 -4.730 -7.205 214 HA PHE 33 HA PHE 33 -0.728 -3.988 -8.657 215 HB3 PHE 33 2HB PHE 33 -0.120 -1.701 -8.022 216 HD1 PHE 33 1HD PHE 33 -1.823 -4.043 -6.795 217 HD2 PHE 33 2HD PHE 33 1.235 -1.430 -5.223 218 HE1 PHE 33 1HE PHE 33 -2.761 -4.293 -4.536 219 HE2 PHE 33 2HE PHE 33 0.302 -1.729 -2.944 220 HZ PHE 33 HZ PHE 33 -1.678 -3.163 -2.598 221 H SER 34 H SER 34 2.695 -4.005 -9.407 222 HA SER 34 HA SER 34 2.936 -2.099 -11.328 223 HB3 SER 34 2HB SER 34 4.319 -4.799 -11.199 224 HG SER 34 HG SER 34 6.058 -3.099 -11.813 225 H THR 35 H THR 35 1.093 -5.002 -11.751 226 HA THR 35 HA THR 35 1.581 -5.066 -14.668 227 HB THR 35 HB THR 35 1.310 -7.174 -13.540 228 HG1 THR 35 1HG THR 35 0.610 -6.884 -15.720 229 HG21 THR 35 3HG2 THR 35 -1.541 -6.333 -12.934 230 HG22 THR 35 1HG2 THR 35 -0.243 -6.619 -11.769 231 HG23 THR 35 2HG2 THR 35 -0.860 -7.962 -12.735 232 H VAL 36 H VAL 36 -0.463 -3.307 -12.532 233 HA VAL 36 HA VAL 36 -1.916 -2.225 -14.874 234 HB VAL 36 HB VAL 36 -3.984 -2.159 -13.557 235 HG11 VAL 36 1HG1 VAL 36 -3.533 -3.980 -15.191 236 HG12 VAL 36 2HG1 VAL 36 -3.051 -5.022 -13.843 237 HG13 VAL 36 3HG1 VAL 36 -4.697 -4.367 -13.925 238 HG21 VAL 36 3HG2 VAL 36 -4.304 -3.537 -11.559 239 HG22 VAL 36 1HG2 VAL 36 -2.605 -4.047 -11.582 240 HG23 VAL 36 2HG2 VAL 36 -3.025 -2.352 -11.251 241 H GLY 37 H GLY 37 0.389 -1.429 -12.848 242 HA2 GLY 37 1HA GLY 37 -0.626 1.208 -12.035 243 HA3 GLY 37 2HA GLY 37 -0.330 -0.024 -10.787 244 H LYS 38 H LYS 38 1.080 2.231 -10.520 245 HA LYS 38 HA LYS 38 3.838 1.463 -11.223 246 HB3 LYS 38 2HB LYS 38 2.900 4.324 -11.465 247 HG3 LYS 38 2HG LYS 38 5.107 2.696 -12.821 248 HD3 LYS 38 2HD LYS 38 3.891 5.416 -13.263 249 HE3 LYS 38 2HE LYS 38 6.387 5.747 -13.105 250 HZ1 LYS 38 3HZ LYS 38 7.715 4.719 -14.878 251 HZ2 LYS 38 1HZ LYS 38 6.424 3.728 -15.260 252 HZ3 LYS 38 2HZ LYS 38 7.181 3.655 -13.783 253 H VAL 39 H VAL 39 5.175 1.928 -9.580 254 HA VAL 39 HA VAL 39 3.994 2.922 -7.036 255 HB VAL 39 HB VAL 39 5.959 0.718 -7.753 256 HG11 VAL 39 1HG1 VAL 39 6.055 0.263 -5.296 257 HG12 VAL 39 2HG1 VAL 39 6.943 1.693 -5.817 258 HG13 VAL 39 3HG1 VAL 39 5.374 1.894 -5.021 259 HG21 VAL 39 3HG2 VAL 39 3.217 0.791 -6.413 260 HG22 VAL 39 1HG2 VAL 39 3.626 0.080 -7.989 261 HG23 VAL 39 2HG2 VAL 39 4.243 -0.652 -6.512 262 H ARG 40 H ARG 40 5.001 4.496 -5.918 263 HA ARG 40 HA ARG 40 7.208 5.877 -7.320 264 HB3 ARG 40 2HB ARG 40 5.514 6.913 -5.013 265 HG3 ARG 40 2HG ARG 40 7.567 8.221 -5.687 266 HD3 ARG 40 2HD ARG 40 5.924 8.790 -8.201 267 HE ARG 40 HE ARG 40 7.734 10.438 -7.079 268 HH11 ARG 40 1HH1 ARG 40 8.110 8.395 -9.970 269 HH12 ARG 40 2HH1 ARG 40 9.189 9.475 -10.757 270 HH21 ARG 40 1HH2 ARG 40 9.046 11.850 -8.093 271 HH22 ARG 40 2HH2 ARG 40 9.727 11.543 -9.672 272 H ASP 41 H ASP 41 6.392 4.543 -4.056 273 HA ASP 41 HA ASP 41 9.078 3.833 -3.495 274 HB3 ASP 41 2HB ASP 41 7.860 6.113 -1.855 275 H VAL 42 H VAL 42 8.969 2.462 -1.382 276 HA VAL 42 HA VAL 42 6.250 1.771 -0.563 277 HB VAL 42 HB VAL 42 7.018 -0.463 -0.761 278 HG11 VAL 42 1HG1 VAL 42 6.048 0.765 -2.772 279 HG12 VAL 42 2HG1 VAL 42 7.702 0.809 -3.418 280 HG13 VAL 42 3HG1 VAL 42 6.903 -0.743 -3.129 281 HG21 VAL 42 3HG2 VAL 42 9.373 -0.444 -0.343 282 HG22 VAL 42 1HG2 VAL 42 9.127 -1.127 -1.955 283 HG23 VAL 42 2HG2 VAL 42 9.677 0.544 -1.779 284 H ARG 43 H ARG 43 6.302 0.559 1.587 285 HA ARG 43 HA ARG 43 8.772 0.855 3.154 286 HB3 ARG 43 2HB ARG 43 7.222 3.044 2.902 287 HG3 ARG 43 2HG ARG 43 5.342 1.973 4.298 288 HD3 ARG 43 2HD ARG 43 7.384 3.107 6.245 289 HE ARG 43 HE ARG 43 4.589 3.583 6.380 290 HH11 ARG 43 1HH1 ARG 43 7.463 2.888 8.275 291 HH12 ARG 43 2HH1 ARG 43 6.859 3.426 9.782 292 HH21 ARG 43 1HH2 ARG 43 3.633 4.254 8.424 293 HH22 ARG 43 2HH2 ARG 43 4.550 4.067 9.897 294 H MET 44 H MET 44 8.795 -0.588 4.889 295 HA MET 44 HA MET 44 6.265 -1.928 5.618 296 HB3 MET 44 2HB MET 44 6.978 -3.434 3.978 297 HG3 MET 44 2HG MET 44 9.746 -3.299 5.212 298 HE1 MET 44 3HE MET 44 8.212 -4.830 1.989 299 HE2 MET 44 1HE MET 44 8.398 -6.586 2.221 300 HE3 MET 44 2HE MET 44 7.198 -5.684 3.174 301 H ILE 45 H ILE 45 6.117 -2.497 7.649 302 HA ILE 45 HA ILE 45 7.820 -0.695 9.163 303 HB ILE 45 HB ILE 45 5.126 -1.813 10.020 304 HG13 ILE 45 2HG1 ILE 45 5.805 0.266 7.965 305 HG21 ILE 45 1HG2 ILE 45 6.572 0.806 10.666 306 HG22 ILE 45 2HG2 ILE 45 5.027 0.238 11.343 307 HG23 ILE 45 3HG2 ILE 45 6.518 -0.611 11.730 308 HD11 ILE 45 3HD1 ILE 45 3.159 -1.153 8.359 309 HD12 ILE 45 1HD1 ILE 45 3.868 -0.537 6.858 310 HD13 ILE 45 2HD1 ILE 45 4.496 -2.010 7.587 311 H SER 46 H SER 46 9.602 -1.620 10.061 312 HA SER 46 HA SER 46 9.360 -4.092 11.614 313 HB3 SER 46 2HB SER 46 11.844 -3.945 11.694 314 HG SER 46 HG SER 46 12.121 -3.733 9.292 315 H ASP 47 H ASP 47 8.703 -1.109 12.329 316 HA ASP 47 HA ASP 47 10.212 -0.310 14.594 317 HB3 ASP 47 2HB ASP 47 8.133 1.263 14.982 318 H ARG 48 H ARG 48 9.214 -2.977 15.027 319 HA ARG 48 HA ARG 48 8.348 -4.338 16.534 320 HB3 ARG 48 2HB ARG 48 7.962 -2.429 18.784 321 HG3 ARG 48 2HG ARG 48 10.172 -4.183 19.149 322 HD3 ARG 48 2HD ARG 48 8.563 -5.468 20.629 323 HE ARG 48 HE ARG 48 9.234 -2.672 20.939 324 HH11 ARG 48 1HH1 ARG 48 7.558 -5.283 22.665 325 HH12 ARG 48 2HH1 ARG 48 8.695 -5.249 23.989 326 HH21 ARG 48 1HH2 ARG 48 9.998 -2.067 22.965 327 HH22 ARG 48 2HH2 ARG 48 9.908 -3.195 24.283 328 H ASN 49 H ASN 49 6.594 -1.296 17.374 329 HA ASN 49 HA ASN 49 4.377 -0.935 17.749 330 HB3 ASN 49 2HB ASN 49 4.490 -0.317 15.516 331 HD21 ASN 49 1HD2 ASN 49 6.066 -1.165 14.062 332 HD22 ASN 49 2HD2 ASN 49 5.727 -2.569 13.053 333 H SER 50 H SER 50 5.291 -3.511 18.574 334 HA SER 50 HA SER 50 4.802 -5.575 19.289 335 HB3 SER 50 2HB SER 50 2.085 -4.619 20.132 336 HG SER 50 HG SER 50 2.439 -6.258 21.337 337 H ARG 51 H ARG 51 4.223 -5.212 16.481 338 HA ARG 51 HA ARG 51 2.370 -7.450 15.971 339 HB3 ARG 51 2HB ARG 51 1.554 -5.802 13.993 340 HG3 ARG 51 2HG ARG 51 0.529 -6.364 16.728 341 HD3 ARG 51 2HD ARG 51 -0.858 -4.194 15.119 342 HE ARG 51 HE ARG 51 -1.525 -4.325 17.857 343 HH11 ARG 51 1HH1 ARG 51 -2.291 -6.105 14.895 344 HH12 ARG 51 2HH1 ARG 51 -3.362 -7.228 15.673 345 HH21 ARG 51 1HH2 ARG 51 -3.197 -5.615 18.806 346 HH22 ARG 51 2HH2 ARG 51 -3.843 -6.974 17.966 347 H ARG 52 H ARG 52 4.644 -4.989 14.693 348 HA ARG 52 HA ARG 52 6.573 -5.196 13.537 349 HB3 ARG 52 2HB ARG 52 7.636 -7.466 13.206 350 HG3 ARG 52 2HG ARG 52 8.143 -6.200 15.288 351 HD3 ARG 52 2HD ARG 52 5.976 -6.486 16.544 352 HE ARG 52 HE ARG 52 5.172 -8.661 16.353 353 HH11 ARG 52 1HH1 ARG 52 8.535 -8.840 17.481 354 HH12 ARG 52 2HH1 ARG 52 8.259 -10.317 18.371 355 HH21 ARG 52 1HH2 ARG 52 4.846 -10.586 17.716 356 HH22 ARG 52 2HH2 ARG 52 6.255 -11.251 18.501 357 H SER 53 H SER 53 7.342 -6.686 11.333 358 HA SER 53 HA SER 53 5.165 -6.273 9.469 359 HB3 SER 53 2HB SER 53 7.500 -5.732 8.941 360 HG SER 53 HG SER 53 7.793 -8.538 8.901 361 H LYS 54 H LYS 54 3.904 -7.772 11.082 362 HA LYS 54 HA LYS 54 4.008 -10.584 10.484 363 HB3 LYS 54 2HB LYS 54 2.987 -9.983 12.552 364 HG3 LYS 54 2HG LYS 54 1.835 -7.993 10.873 365 HD3 LYS 54 2HD LYS 54 -0.406 -7.860 12.090 366 HE3 LYS 54 2HE LYS 54 -0.121 -10.187 10.136 367 HZ1 LYS 54 3HZ LYS 54 -2.281 -9.445 9.432 368 HZ2 LYS 54 1HZ LYS 54 -2.315 -8.245 10.569 369 HZ3 LYS 54 2HZ LYS 54 -2.344 -9.835 11.013 370 H GLY 55 H GLY 55 3.227 -7.953 8.645 371 HA2 GLY 55 1HA GLY 55 2.660 -8.841 6.258 372 HA3 GLY 55 2HA GLY 55 1.137 -9.289 7.056 373 H ILE 56 H ILE 56 3.264 -6.413 6.665 374 HA ILE 56 HA ILE 56 1.025 -4.647 6.314 375 HB ILE 56 HB ILE 56 1.831 -3.072 8.131 376 HG13 ILE 56 2HG1 ILE 56 3.986 -4.288 8.646 377 HG21 ILE 56 1HG2 ILE 56 0.332 -3.980 9.785 378 HG22 ILE 56 2HG2 ILE 56 -0.286 -4.464 8.200 379 HG23 ILE 56 3HG2 ILE 56 0.584 -5.637 9.205 380 HD11 ILE 56 3HD1 ILE 56 2.318 -4.036 11.147 381 HD12 ILE 56 1HD1 ILE 56 4.063 -3.784 10.908 382 HD13 ILE 56 2HD1 ILE 56 2.912 -2.621 10.239 383 H ALA 57 H ALA 57 1.609 -3.059 4.876 384 HA ALA 57 HA ALA 57 4.252 -1.920 4.878 385 HB1 ALA 57 1HB ALA 57 3.176 -3.446 2.442 386 HB2 ALA 57 2HB ALA 57 4.598 -2.395 2.426 387 HB3 ALA 57 3HB ALA 57 4.622 -3.887 3.382 388 H TYR 58 H TYR 58 4.175 0.061 3.264 389 HA TYR 58 HA TYR 58 1.432 0.769 2.297 390 HB3 TYR 58 2HB TYR 58 1.963 3.070 2.680 391 HD1 TYR 58 1HD TYR 58 3.706 1.317 5.509 392 HD2 TYR 58 2HD TYR 58 0.151 3.324 4.171 393 HE1 TYR 58 1HE TYR 58 2.882 1.381 7.817 394 HE2 TYR 58 2HE TYR 58 -0.696 3.373 6.488 395 HH TYR 58 HH TYR 58 -0.310 2.189 8.702 396 H VAL 59 H VAL 59 1.501 1.493 0.186 397 HA VAL 59 HA VAL 59 4.113 1.711 -1.226 398 HB VAL 59 HB VAL 59 1.657 0.059 -1.910 399 HG11 VAL 59 1HG1 VAL 59 2.064 1.215 -3.977 400 HG12 VAL 59 2HG1 VAL 59 3.820 1.034 -3.794 401 HG13 VAL 59 3HG1 VAL 59 2.825 -0.388 -4.129 402 HG21 VAL 59 3HG2 VAL 59 3.071 -1.789 -1.954 403 HG22 VAL 59 1HG2 VAL 59 4.508 -0.850 -2.341 404 HG23 VAL 59 2HG2 VAL 59 3.910 -0.833 -0.701 405 H GLU 60 H GLU 60 4.350 3.710 -1.921 406 HA GLU 60 HA GLU 60 2.081 5.508 -2.241 407 HB3 GLU 60 2HB GLU 60 3.721 7.091 -3.056 408 HG3 GLU 60 2HG GLU 60 5.370 5.992 -0.813 409 H PHE 61 H PHE 61 0.984 5.696 -4.215 410 HA PHE 61 HA PHE 61 2.009 4.233 -6.570 411 HB3 PHE 61 2HB PHE 61 -0.192 5.636 -7.396 412 HD1 PHE 61 1HD PHE 61 -0.602 2.994 -4.814 413 HD2 PHE 61 2HD PHE 61 -0.207 3.907 -9.016 414 HE1 PHE 61 1HE PHE 61 -1.325 0.689 -5.384 415 HE2 PHE 61 2HE PHE 61 -1.010 1.622 -9.573 416 HZ PHE 61 HZ PHE 61 -1.577 0.014 -7.768 417 H VAL 62 H VAL 62 2.394 5.290 -8.565 418 HA VAL 62 HA VAL 62 3.549 7.970 -8.327 419 HB VAL 62 HB VAL 62 3.054 6.311 -10.831 420 HG11 VAL 62 1HG1 VAL 62 4.810 8.746 -10.374 421 HG12 VAL 62 2HG1 VAL 62 4.845 7.718 -11.822 422 HG13 VAL 62 3HG1 VAL 62 3.380 8.615 -11.424 423 HG21 VAL 62 3HG2 VAL 62 4.562 5.062 -9.469 424 HG22 VAL 62 1HG2 VAL 62 5.564 5.901 -10.647 425 HG23 VAL 62 2HG2 VAL 62 5.470 6.505 -8.987 426 H ASP 63 H ASP 63 0.298 6.693 -9.124 427 HA ASP 63 HA ASP 63 -0.519 9.457 -9.806 428 HB3 ASP 63 2HB ASP 63 -1.661 6.933 -11.055 429 H VAL 64 H VAL 64 -2.660 10.006 -9.203 430 HA VAL 64 HA VAL 64 -3.562 8.641 -6.820 431 HB VAL 64 HB VAL 64 -3.581 11.094 -7.133 432 HG11 VAL 64 1HG1 VAL 64 -5.977 10.646 -8.958 433 HG12 VAL 64 2HG1 VAL 64 -5.424 12.190 -8.314 434 HG13 VAL 64 3HG1 VAL 64 -4.393 11.294 -9.449 435 HG21 VAL 64 3HG2 VAL 64 -5.643 11.498 -5.941 436 HG22 VAL 64 1HG2 VAL 64 -6.312 9.946 -6.457 437 HG23 VAL 64 2HG2 VAL 64 -4.910 9.999 -5.369 438 H SER 65 H SER 65 -4.536 8.410 -10.347 439 HA SER 65 HA SER 65 -7.187 7.499 -9.536 440 HB3 SER 65 2HB SER 65 -7.302 6.722 -11.973 441 HG SER 65 HG SER 65 -7.735 9.002 -10.892 442 H SER 66 H SER 66 -4.133 5.902 -9.818 443 HA SER 66 HA SER 66 -5.333 3.263 -10.015 444 HB3 SER 66 2HB SER 66 -3.069 2.537 -10.229 445 HG SER 66 HG SER 66 -3.101 3.469 -12.135 446 H VAL 67 H VAL 67 -4.939 5.390 -7.357 447 HA VAL 67 HA VAL 67 -4.095 3.581 -5.324 448 HB VAL 67 HB VAL 67 -5.784 6.108 -5.286 449 HG11 VAL 67 1HG1 VAL 67 -4.701 4.600 -2.875 450 HG12 VAL 67 2HG1 VAL 67 -5.426 6.211 -2.862 451 HG13 VAL 67 3HG1 VAL 67 -6.417 4.820 -3.285 452 HG21 VAL 67 3HG2 VAL 67 -3.780 7.124 -4.373 453 HG22 VAL 67 1HG2 VAL 67 -2.918 5.570 -4.416 454 HG23 VAL 67 2HG2 VAL 67 -3.398 6.373 -5.926 455 HA PRO 68 HA PRO 68 -8.582 2.331 -4.630 456 HB3 PRO 68 2HB PRO 68 -10.151 3.913 -4.956 457 HG3 PRO 68 2HG PRO 68 -9.926 5.512 -6.716 458 HD3 PRO 68 2HD PRO 68 -7.915 5.544 -5.489 459 H LEU 69 H LEU 69 -7.065 2.166 -7.782 460 HA LEU 69 HA LEU 69 -8.333 -0.209 -8.766 461 HB3 LEU 69 2HB LEU 69 -5.437 0.646 -9.106 462 HG LEU 69 HG LEU 69 -5.612 -1.497 -9.995 463 HD11 LEU 69 1HD1 LEU 69 -7.945 -2.035 -10.065 464 HD12 LEU 69 2HD1 LEU 69 -7.313 -2.174 -11.704 465 HD13 LEU 69 3HD1 LEU 69 -8.269 -0.753 -11.251 466 HD21 LEU 69 3HD2 LEU 69 -5.414 -0.970 -12.453 467 HD22 LEU 69 1HD2 LEU 69 -4.532 0.164 -11.412 468 HD23 LEU 69 2HD2 LEU 69 -6.088 0.632 -12.124 469 H ALA 70 H ALA 70 -5.357 0.315 -6.925 470 HA ALA 70 HA ALA 70 -4.747 -2.419 -6.368 471 HB1 ALA 70 1HB ALA 70 -3.071 -0.768 -5.994 472 HB2 ALA 70 2HB ALA 70 -4.106 0.149 -4.874 473 HB3 ALA 70 3HB ALA 70 -3.464 -1.432 -4.396 474 H ILE 71 H ILE 71 -6.749 -0.103 -4.521 475 HA ILE 71 HA ILE 71 -7.462 -1.819 -2.371 476 HB ILE 71 HB ILE 71 -8.775 0.553 -3.641 477 HG13 ILE 71 2HG1 ILE 71 -6.574 0.601 -2.211 478 HG21 ILE 71 1HG2 ILE 71 -10.314 0.681 -1.723 479 HG22 ILE 71 2HG2 ILE 71 -10.634 -0.733 -2.716 480 HG23 ILE 71 3HG2 ILE 71 -9.754 -0.907 -1.179 481 HD11 ILE 71 3HD1 ILE 71 -7.110 2.649 -1.090 482 HD12 ILE 71 1HD1 ILE 71 -7.960 2.661 -2.642 483 HD13 ILE 71 2HD1 ILE 71 -8.847 2.300 -1.147 484 H GLY 72 H GLY 72 -8.835 -1.520 -5.642 485 HA2 GLY 72 1HA GLY 72 -11.078 -3.115 -5.386 486 HA3 GLY 72 2HA GLY 72 -10.116 -2.938 -6.858 487 H LEU 73 H LEU 73 -7.682 -4.082 -5.771 488 HA LEU 73 HA LEU 73 -8.250 -6.794 -6.542 489 HB3 LEU 73 2HB LEU 73 -5.891 -7.101 -6.558 490 HG LEU 73 HG LEU 73 -6.223 -4.207 -7.380 491 HD11 LEU 73 1HD1 LEU 73 -3.920 -5.117 -7.332 492 HD12 LEU 73 2HD1 LEU 73 -4.449 -4.703 -8.973 493 HD13 LEU 73 3HD1 LEU 73 -4.424 -6.399 -8.451 494 HD21 LEU 73 3HD2 LEU 73 -6.905 -6.702 -8.988 495 HD22 LEU 73 1HD2 LEU 73 -6.796 -5.056 -9.653 496 HD23 LEU 73 2HD2 LEU 73 -8.046 -5.445 -8.471 497 H THR 74 H THR 74 -9.042 -5.736 -3.662 498 HA THR 74 HA THR 74 -7.619 -7.036 -1.673 499 HB THR 74 HB THR 74 -9.328 -5.360 -1.274 500 HG1 THR 74 1HG THR 74 -8.716 -7.151 0.259 501 HG21 THR 74 3HG2 THR 74 -11.360 -7.559 -1.875 502 HG22 THR 74 1HG2 THR 74 -11.076 -6.120 -2.878 503 HG23 THR 74 2HG2 THR 74 -11.715 -5.955 -1.236 504 H GLY 75 H GLY 75 -9.645 -8.498 -4.013 505 HA2 GLY 75 1HA GLY 75 -9.918 -11.051 -2.484 506 HA3 GLY 75 2HA GLY 75 -10.964 -10.492 -3.789 507 H GLN 76 H GLN 76 -7.605 -9.940 -4.360 508 HA GLN 76 HA GLN 76 -7.316 -12.449 -5.917 509 HB3 GLN 76 2HB GLN 76 -5.393 -11.422 -6.959 510 HG3 GLN 76 2HG GLN 76 -7.623 -9.357 -7.117 511 HE21 GLN 76 1HE2 GLN 76 -8.106 -9.260 -9.688 512 HE22 GLN 76 2HE2 GLN 76 -6.677 -8.853 -10.622 513 H ARG 77 H ARG 77 -5.046 -13.395 -5.588 514 HA ARG 77 HA ARG 77 -3.864 -12.788 -2.931 515 HB3 ARG 77 2HB ARG 77 -5.314 -14.473 -2.261 516 HG3 ARG 77 2HG ARG 77 -4.788 -15.828 -4.924 517 HD3 ARG 77 2HD ARG 77 -5.299 -17.139 -2.289 518 HE ARG 77 HE ARG 77 -6.337 -18.564 -4.615 519 HH11 ARG 77 1HH1 ARG 77 -7.188 -16.614 -1.712 520 HH12 ARG 77 2HH1 ARG 77 -8.894 -16.812 -1.946 521 HH21 ARG 77 1HH2 ARG 77 -8.655 -18.839 -4.819 522 HH22 ARG 77 2HH2 ARG 77 -9.725 -18.060 -3.716 523 H VAL 78 H VAL 78 -2.081 -11.952 -3.985 524 HA VAL 78 HA VAL 78 -0.787 -13.270 -6.150 525 HB VAL 78 HB VAL 78 -0.413 -10.977 -5.930 526 HG11 VAL 78 1HG1 VAL 78 0.641 -9.830 -4.162 527 HG12 VAL 78 2HG1 VAL 78 -0.661 -10.777 -3.474 528 HG13 VAL 78 3HG1 VAL 78 1.002 -11.364 -3.307 529 HG21 VAL 78 3HG2 VAL 78 1.530 -12.265 -6.829 530 HG22 VAL 78 1HG2 VAL 78 2.031 -10.756 -6.041 531 HG23 VAL 78 2HG2 VAL 78 2.247 -12.286 -5.199 532 H LEU 79 H LEU 79 0.030 -15.119 -6.074 533 HA LEU 79 HA LEU 79 0.755 -17.184 -5.342 534 HB3 LEU 79 2HB LEU 79 2.996 -17.215 -4.432 535 HG LEU 79 HG LEU 79 2.865 -14.694 -6.139 536 HD11 LEU 79 1HD1 LEU 79 5.035 -16.807 -5.844 537 HD12 LEU 79 2HD1 LEU 79 5.041 -15.210 -5.068 538 HD13 LEU 79 3HD1 LEU 79 5.108 -15.339 -6.836 539 HD21 LEU 79 3HD2 LEU 79 2.920 -17.601 -7.058 540 HD22 LEU 79 1HD2 LEU 79 3.195 -16.184 -8.098 541 HD23 LEU 79 2HD2 LEU 79 1.622 -16.423 -7.356 542 H GLY 80 H GLY 80 -1.315 -16.047 -3.658 543 HA2 GLY 80 1HA GLY 80 -2.431 -17.166 -1.859 544 HA3 GLY 80 2HA GLY 80 -0.894 -17.750 -1.244 545 H VAL 81 H VAL 81 -0.930 -14.363 -2.065 546 HA VAL 81 HA VAL 81 -1.234 -13.583 0.779 547 HB VAL 81 HB VAL 81 0.444 -12.253 -1.354 548 HG11 VAL 81 1HG1 VAL 81 -0.325 -10.739 0.407 549 HG12 VAL 81 2HG1 VAL 81 0.221 -11.892 1.651 550 HG13 VAL 81 3HG1 VAL 81 1.393 -11.068 0.582 551 HG21 VAL 81 3HG2 VAL 81 2.378 -13.174 -0.080 552 HG22 VAL 81 1HG2 VAL 81 1.247 -14.152 0.895 553 HG23 VAL 81 2HG2 VAL 81 1.433 -14.444 -0.847 554 HA PRO 82 HA PRO 82 -4.697 -11.290 -1.259 555 HB3 PRO 82 2HB PRO 82 -6.262 -12.749 -0.334 556 HG3 PRO 82 2HG PRO 82 -5.818 -13.835 1.776 557 HD3 PRO 82 2HD PRO 82 -3.912 -14.444 0.497 558 H ILE 83 H ILE 83 -5.848 -9.281 -0.288 559 HA ILE 83 HA ILE 83 -4.093 -7.792 1.564 560 HB ILE 83 HB ILE 83 -3.126 -7.298 -0.521 561 HG13 ILE 83 2HG1 ILE 83 -3.684 -5.430 1.091 562 HG21 ILE 83 1HG2 ILE 83 -5.088 -8.068 -2.041 563 HG22 ILE 83 2HG2 ILE 83 -5.729 -6.437 -1.797 564 HG23 ILE 83 3HG2 ILE 83 -4.173 -6.668 -2.564 565 HD11 ILE 83 3HD1 ILE 83 -3.533 -4.544 -1.808 566 HD12 ILE 83 1HD1 ILE 83 -3.275 -3.547 -0.370 567 HD13 ILE 83 2HD1 ILE 83 -2.158 -4.876 -0.706 568 H ILE 84 H ILE 84 -5.169 -6.209 2.730 569 HA ILE 84 HA ILE 84 -8.125 -6.219 2.623 570 HB ILE 84 HB ILE 84 -6.240 -4.711 4.476 571 HG13 ILE 84 2HG1 ILE 84 -6.692 -6.451 6.189 572 HG21 ILE 84 1HG2 ILE 84 -8.209 -4.650 6.017 573 HG22 ILE 84 2HG2 ILE 84 -8.454 -3.728 4.549 574 HG23 ILE 84 3HG2 ILE 84 -9.219 -5.314 4.719 575 HD11 ILE 84 3HD1 ILE 84 -8.743 -7.528 5.251 576 HD12 ILE 84 1HD1 ILE 84 -7.746 -8.172 3.925 577 HD13 ILE 84 2HD1 ILE 84 -7.439 -8.668 5.598 578 H VAL 85 H VAL 85 -9.329 -4.456 2.038 579 HA VAL 85 HA VAL 85 -8.511 -2.455 0.223 580 HB VAL 85 HB VAL 85 -10.839 -1.692 0.545 581 HG11 VAL 85 1HG1 VAL 85 -10.409 -3.615 -0.805 582 HG12 VAL 85 2HG1 VAL 85 -10.729 -4.673 0.602 583 HG13 VAL 85 3HG1 VAL 85 -12.019 -3.653 -0.055 584 HG21 VAL 85 3HG2 VAL 85 -12.360 -2.711 2.192 585 HG22 VAL 85 1HG2 VAL 85 -11.030 -3.647 2.894 586 HG23 VAL 85 2HG2 VAL 85 -11.055 -1.880 3.035 587 H GLN 86 H GLN 86 -7.278 -2.342 3.051 588 HA GLN 86 HA GLN 86 -8.693 -0.548 4.623 589 HB3 GLN 86 2HB GLN 86 -5.939 -0.297 5.393 590 HG3 GLN 86 2HG GLN 86 -7.125 -2.536 6.729 591 HE21 GLN 86 1HE2 GLN 86 -7.369 1.106 6.958 592 HE22 GLN 86 2HE2 GLN 86 -6.658 1.136 8.577 593 H ALA 87 H ALA 87 -6.378 0.400 2.136 594 HA ALA 87 HA ALA 87 -5.645 2.260 1.298 595 HB1 ALA 87 1HB ALA 87 -7.129 4.276 1.493 596 HB2 ALA 87 2HB ALA 87 -8.059 2.801 1.171 597 HB3 ALA 87 3HB ALA 87 -8.011 3.509 2.803 598 H SER 88 H SER 88 -4.669 4.383 1.783 599 HA SER 88 HA SER 88 -3.667 4.525 4.607 600 HB3 SER 88 2HB SER 88 -2.359 6.256 2.548 601 HG SER 88 HG SER 88 -1.515 6.034 4.682 602 H GLN 89 H GLN 89 -5.473 5.537 5.501 603 HA GLN 89 HA GLN 89 -6.365 8.145 4.343 604 HB3 GLN 89 2HB GLN 89 -8.337 7.846 5.813 605 HG3 GLN 89 2HG GLN 89 -8.929 5.390 4.644 606 HE21 GLN 89 1HE2 GLN 89 -10.976 5.793 3.925 607 HE22 GLN 89 2HE2 GLN 89 -11.533 7.327 3.266 608 H ALA 90 H ALA 90 -6.482 9.879 5.755 609 HA ALA 90 HA ALA 90 -5.347 11.388 6.881 610 HB1 ALA 90 1HB ALA 90 -5.387 9.416 9.194 611 HB2 ALA 90 2HB ALA 90 -5.196 11.176 9.291 612 HB3 ALA 90 3HB ALA 90 -6.726 10.482 8.730 613 H GLU 91 H GLU 91 -3.248 11.728 8.450 614 HA GLU 91 HA GLU 91 -0.997 10.324 7.155 615 HB3 GLU 91 2HB GLU 91 -1.309 13.257 7.925 616 HG3 GLU 91 2HG GLU 91 0.222 13.238 5.713 617 H LYS 92 H LYS 92 -2.344 9.772 9.818 618 HA LYS 92 HA LYS 92 -0.562 11.146 11.747 619 HB3 LYS 92 2HB LYS 92 -2.137 10.819 13.426 620 HG3 LYS 92 2HG LYS 92 -3.713 11.677 10.997 621 HD3 LYS 92 2HD LYS 92 -4.039 12.018 13.960 622 HE3 LYS 92 2HE LYS 92 -3.578 14.319 13.244 623 HZ1 LYS 92 3HZ LYS 92 -5.877 13.972 11.409 624 HZ2 LYS 92 1HZ LYS 92 -4.330 14.228 10.950 625 HZ3 LYS 92 2HZ LYS 92 -5.153 15.403 11.778 626 H ASN 93 H ASN 93 -1.312 9.116 13.789 627 HA ASN 93 HA ASN 93 -0.123 7.577 14.897 628 HB3 ASN 93 2HB ASN 93 -0.671 5.322 13.990 629 HD21 ASN 93 1HD2 ASN 93 -1.720 6.676 16.107 630 HD22 ASN 93 2HD2 ASN 93 -3.458 6.748 15.942 631 H ARG 94 H ARG 94 2.109 8.328 14.720 632 HA ARG 94 HA ARG 94 3.912 6.969 12.795 633 HB3 ARG 94 2HB ARG 94 5.634 7.681 14.586 634 HG3 ARG 94 2HG ARG 94 5.448 8.886 12.427 635 HD3 ARG 94 2HD ARG 94 4.434 11.363 13.166 636 HE ARG 94 HE ARG 94 2.526 9.705 11.703 637 HH11 ARG 94 1HH1 ARG 94 5.708 11.353 11.336 638 HH12 ARG 94 2HH1 ARG 94 5.300 11.957 9.778 639 HH21 ARG 94 1HH2 ARG 94 2.048 10.594 9.605 640 HH22 ARG 94 2HH2 ARG 94 3.211 11.506 8.793 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -16.881 21.472 -13.434 2 HA2 GLY 1 1HA GLY 1 -15.538 19.089 -14.580 3 HA3 GLY 1 2HA GLY 1 -14.635 20.433 -13.828 4 H HIS 2 H HIS 2 -14.515 17.766 -12.881 5 HA HIS 2 HA HIS 2 -15.770 18.038 -10.186 6 HB3 HIS 2 2HB HIS 2 -17.156 16.524 -11.169 7 HD1 HIS 2 1HD HIS 2 -13.954 14.534 -12.220 8 HD2 HIS 2 2HD HIS 2 -17.656 15.979 -13.644 9 HE1 HIS 2 1HE HIS 2 -14.331 13.449 -14.479 10 H MET 3 H MET 3 -12.956 18.324 -11.564 11 HA MET 3 HA MET 3 -11.159 16.472 -10.615 12 HB3 MET 3 2HB MET 3 -9.482 18.130 -10.958 13 HG3 MET 3 2HG MET 3 -11.134 17.516 -12.973 14 HE1 MET 3 3HE MET 3 -11.242 22.106 -13.496 15 HE2 MET 3 1HE MET 3 -10.419 21.379 -12.095 16 HE3 MET 3 2HE MET 3 -9.865 21.011 -13.741 17 H ASN 4 H ASN 4 -10.643 15.813 -8.568 18 HA ASN 4 HA ASN 4 -11.197 17.675 -6.302 19 HB3 ASN 4 2HB ASN 4 -11.389 14.642 -6.221 20 HD21 ASN 4 1HD2 ASN 4 -11.864 13.965 -4.047 21 HD22 ASN 4 2HD2 ASN 4 -12.467 15.040 -2.835 22 H LEU 5 H LEU 5 -8.657 17.038 -7.770 23 HA LEU 5 HA LEU 5 -7.000 15.419 -6.030 24 HB3 LEU 5 2HB LEU 5 -6.169 17.151 -8.388 25 HG LEU 5 HG LEU 5 -4.703 15.293 -8.988 26 HD11 LEU 5 1HD1 LEU 5 -2.858 15.736 -7.549 27 HD12 LEU 5 2HD1 LEU 5 -3.916 16.230 -6.229 28 HD13 LEU 5 3HD1 LEU 5 -3.785 17.245 -7.679 29 HD21 LEU 5 3HD2 LEU 5 -4.276 13.428 -7.597 30 HD22 LEU 5 1HD2 LEU 5 -6.026 13.604 -7.638 31 HD23 LEU 5 2HD2 LEU 5 -5.123 14.137 -6.210 32 H THR 6 H THR 6 -6.408 16.304 -4.044 33 HA THR 6 HA THR 6 -6.074 19.193 -3.784 34 HB THR 6 HB THR 6 -6.087 18.816 -1.432 35 HG1 THR 6 1HG THR 6 -5.990 16.711 -0.575 36 HG21 THR 6 3HG2 THR 6 -7.843 16.592 -2.463 37 HG22 THR 6 1HG2 THR 6 -8.206 18.296 -2.765 38 HG23 THR 6 2HG2 THR 6 -8.124 17.691 -1.103 39 HA PRO 7 HA PRO 7 -1.615 19.210 -3.948 40 HB3 PRO 7 2HB PRO 7 -1.470 21.382 -3.241 41 HG3 PRO 7 2HG PRO 7 -2.903 22.230 -1.552 42 HD3 PRO 7 2HD PRO 7 -4.396 21.201 -3.061 43 H GLU 8 H GLU 8 -2.957 18.385 -0.659 44 HA GLU 8 HA GLU 8 -0.611 16.968 0.090 45 HB3 GLU 8 2HB GLU 8 -3.370 16.619 1.290 46 HG3 GLU 8 2HG GLU 8 -1.658 17.198 3.328 47 H GLU 9 H GLU 9 -3.612 15.960 -1.584 48 HA GLU 9 HA GLU 9 -3.170 13.147 -1.548 49 HB3 GLU 9 2HB GLU 9 -4.212 13.430 -3.939 50 HG3 GLU 9 2HG GLU 9 -6.158 14.503 -1.945 51 H ARG 10 H ARG 10 -1.870 15.796 -3.628 52 HA ARG 10 HA ARG 10 -0.330 13.914 -5.230 53 HB3 ARG 10 2HB ARG 10 0.378 16.846 -5.151 54 HG3 ARG 10 2HG ARG 10 -0.430 14.964 -7.405 55 HD3 ARG 10 2HD ARG 10 1.400 17.384 -7.515 56 HE ARG 10 HE ARG 10 0.875 15.355 -9.320 57 HH11 ARG 10 1HH1 ARG 10 0.712 18.866 -9.384 58 HH12 ARG 10 2HH1 ARG 10 0.540 18.986 -11.111 59 HH21 ARG 10 1HH2 ARG 10 0.646 15.453 -11.596 60 HH22 ARG 10 2HH2 ARG 10 0.307 16.969 -12.361 61 H ASP 11 H ASP 11 0.220 15.403 -2.204 62 HA ASP 11 HA ASP 11 3.145 15.060 -2.364 63 HB3 ASP 11 2HB ASP 11 2.122 15.763 0.278 64 H ALA 12 H ALA 12 0.431 13.225 -1.401 65 HA ALA 12 HA ALA 12 1.753 11.514 0.558 66 HB1 ALA 12 1HB ALA 12 -0.921 11.280 -0.910 67 HB2 ALA 12 2HB ALA 12 -0.367 10.204 0.387 68 HB3 ALA 12 3HB ALA 12 -0.662 11.922 0.708 69 H ARG 13 H ARG 13 0.158 10.509 -2.477 70 HA ARG 13 HA ARG 13 0.373 8.997 -3.952 71 HB3 ARG 13 2HB ARG 13 2.763 8.533 -4.770 72 HG3 ARG 13 2HG ARG 13 0.918 10.734 -5.083 73 HD3 ARG 13 2HD ARG 13 3.052 12.041 -4.494 74 HE ARG 13 HE ARG 13 4.026 10.582 -6.765 75 HH11 ARG 13 1HH1 ARG 13 4.127 13.817 -5.299 76 HH12 ARG 13 2HH1 ARG 13 5.510 14.325 -6.183 77 HH21 ARG 13 1HH2 ARG 13 5.763 11.215 -7.926 78 HH22 ARG 13 2HH2 ARG 13 6.636 12.683 -7.606 79 H THR 14 H THR 14 1.833 8.232 -0.984 80 HA THR 14 HA THR 14 2.408 5.566 -1.600 81 HB THR 14 HB THR 14 1.898 7.119 0.971 82 HG1 THR 14 1HG THR 14 4.042 7.498 0.880 83 HG21 THR 14 3HG2 THR 14 3.440 5.528 2.088 84 HG22 THR 14 1HG2 THR 14 3.371 4.481 0.651 85 HG23 THR 14 2HG2 THR 14 1.903 4.799 1.623 86 H VAL 15 H VAL 15 1.367 3.599 -0.794 87 HA VAL 15 HA VAL 15 -1.430 3.840 0.130 88 HB VAL 15 HB VAL 15 -2.025 1.760 -1.056 89 HG11 VAL 15 1HG1 VAL 15 -1.157 3.927 -3.001 90 HG12 VAL 15 2HG1 VAL 15 -2.493 2.767 -3.201 91 HG13 VAL 15 3HG1 VAL 15 -2.587 4.025 -1.955 92 HG21 VAL 15 3HG2 VAL 15 0.181 0.766 -1.475 93 HG22 VAL 15 1HG2 VAL 15 -0.673 1.017 -3.006 94 HG23 VAL 15 2HG2 VAL 15 0.610 2.129 -2.523 95 H PHE 16 H PHE 16 -1.884 1.238 0.984 96 HA PHE 16 HA PHE 16 0.268 0.716 2.916 97 HB3 PHE 16 2HB PHE 16 -2.561 1.596 3.632 98 HD1 PHE 16 2HD PHE 16 0.615 0.094 4.960 99 HD2 PHE 16 1HD PHE 16 -3.381 1.404 5.916 100 HE1 PHE 16 2HE PHE 16 0.755 -1.064 7.100 101 HE2 PHE 16 1HE PHE 16 -3.149 0.400 8.153 102 HZ PHE 16 HZ PHE 16 -1.086 -0.857 8.753 103 H CYS 17 H CYS 17 0.453 -1.433 3.184 104 HA CYS 17 HA CYS 17 -1.818 -3.219 2.495 105 HB3 CYS 17 2HB CYS 17 -0.182 -4.884 2.002 106 HG CYS 17 HG CYS 17 0.844 -4.234 -0.148 107 H MET 18 H MET 18 -2.845 -3.978 4.272 108 HA MET 18 HA MET 18 -1.383 -4.287 6.832 109 HB3 MET 18 2HB MET 18 -4.176 -3.158 6.723 110 HG3 MET 18 2HG MET 18 -3.043 -1.969 8.788 111 HE1 MET 18 3HE MET 18 -6.382 -3.174 9.932 112 HE2 MET 18 1HE MET 18 -5.404 -1.900 9.155 113 HE3 MET 18 2HE MET 18 -5.987 -3.274 8.203 114 H GLN 19 H GLN 19 -2.062 -6.271 4.731 115 HA GLN 19 HA GLN 19 -3.552 -8.159 6.425 116 HB3 GLN 19 2HB GLN 19 -4.430 -8.009 3.563 117 HG3 GLN 19 2HG GLN 19 -5.722 -8.537 6.270 118 HE21 GLN 19 1HE2 GLN 19 -6.508 -8.032 2.776 119 HE22 GLN 19 2HE2 GLN 19 -8.198 -7.719 3.020 120 H LEU 20 H LEU 20 -0.746 -7.847 5.730 121 HA LEU 20 HA LEU 20 -0.008 -9.486 3.518 122 HB3 LEU 20 2HB LEU 20 2.293 -9.251 4.354 123 HG LEU 20 HG LEU 20 0.832 -6.584 4.634 124 HD11 LEU 20 1HD1 LEU 20 2.941 -5.601 3.903 125 HD12 LEU 20 2HD1 LEU 20 3.679 -7.210 3.718 126 HD13 LEU 20 3HD1 LEU 20 3.240 -6.606 5.316 127 HD21 LEU 20 3HD2 LEU 20 1.830 -8.076 2.182 128 HD22 LEU 20 1HD2 LEU 20 1.455 -6.347 2.189 129 HD23 LEU 20 2HD2 LEU 20 0.169 -7.506 2.499 130 H ALA 21 H ALA 21 1.207 -11.340 3.460 131 HA ALA 21 HA ALA 21 0.671 -13.514 5.338 132 HB1 ALA 21 1HB ALA 21 2.295 -14.713 3.766 133 HB2 ALA 21 2HB ALA 21 0.865 -14.075 2.988 134 HB3 ALA 21 3HB ALA 21 2.414 -13.216 2.843 135 H ALA 22 H ALA 22 2.973 -14.778 5.692 136 HA ALA 22 HA ALA 22 4.882 -12.874 6.976 137 HB1 ALA 22 1HB ALA 22 3.423 -14.044 8.631 138 HB2 ALA 22 2HB ALA 22 4.008 -15.598 8.006 139 HB3 ALA 22 3HB ALA 22 5.136 -14.480 8.792 140 H ARG 23 H ARG 23 4.821 -14.317 4.272 141 HA ARG 23 HA ARG 23 7.651 -15.101 4.388 142 HB3 ARG 23 2HB ARG 23 7.261 -17.088 2.904 143 HG3 ARG 23 2HG ARG 23 6.160 -18.676 4.387 144 HD3 ARG 23 2HD ARG 23 7.561 -17.569 6.598 145 HE ARG 23 HE ARG 23 9.310 -19.193 5.096 146 HH11 ARG 23 1HH1 ARG 23 6.008 -19.669 6.487 147 HH12 ARG 23 2HH1 ARG 23 6.453 -21.240 7.084 148 HH21 ARG 23 1HH2 ARG 23 9.703 -21.209 5.794 149 HH22 ARG 23 2HH2 ARG 23 8.496 -22.202 6.581 150 H ILE 24 H ILE 24 5.793 -12.852 3.263 151 HA ILE 24 HA ILE 24 5.867 -13.237 0.341 152 HB ILE 24 HB ILE 24 3.804 -12.454 1.208 153 HG13 ILE 24 2HG1 ILE 24 4.831 -11.321 -0.860 154 HG21 ILE 24 1HG2 ILE 24 3.539 -10.308 2.480 155 HG22 ILE 24 2HG2 ILE 24 4.373 -11.552 3.397 156 HG23 ILE 24 3HG2 ILE 24 5.295 -10.231 2.650 157 HD11 ILE 24 3HD1 ILE 24 2.591 -9.807 0.496 158 HD12 ILE 24 1HD1 ILE 24 2.986 -9.857 -1.233 159 HD13 ILE 24 2HD1 ILE 24 2.395 -11.307 -0.431 160 H ARG 25 H ARG 25 7.066 -11.706 -1.033 161 HA ARG 25 HA ARG 25 9.542 -10.723 0.257 162 HB3 ARG 25 2HB ARG 25 9.519 -9.561 -2.246 163 HG3 ARG 25 2HG ARG 25 11.284 -11.107 -1.113 164 HD3 ARG 25 2HD ARG 25 9.854 -13.008 -3.024 165 HE ARG 25 HE ARG 25 12.114 -14.009 -1.513 166 HH11 ARG 25 1HH1 ARG 25 11.216 -12.479 -4.599 167 HH12 ARG 25 2HH1 ARG 25 12.759 -12.697 -5.322 168 HH21 ARG 25 1HH2 ARG 25 14.099 -14.511 -2.573 169 HH22 ARG 25 2HH2 ARG 25 14.383 -13.981 -4.198 170 HA PRO 26 HA PRO 26 7.942 -6.596 0.898 171 HB3 PRO 26 2HB PRO 26 9.840 -5.691 1.728 172 HG3 PRO 26 2HG PRO 26 11.833 -6.833 1.419 173 HD3 PRO 26 2HD PRO 26 10.421 -8.668 1.716 174 H ARG 27 H ARG 27 9.961 -7.063 -2.041 175 HA ARG 27 HA ARG 27 8.687 -5.101 -3.602 176 HB3 ARG 27 2HB ARG 27 10.070 -7.583 -4.711 177 HG3 ARG 27 2HG ARG 27 9.833 -4.680 -5.601 178 HD3 ARG 27 2HD ARG 27 12.147 -5.915 -5.974 179 HE ARG 27 HE ARG 27 11.538 -7.833 -7.244 180 HH11 ARG 27 1HH1 ARG 27 10.249 -4.893 -8.879 181 HH12 ARG 27 2HH1 ARG 27 10.116 -5.714 -10.395 182 HH21 ARG 27 1HH2 ARG 27 11.484 -8.783 -9.332 183 HH22 ARG 27 2HH2 ARG 27 10.669 -7.977 -10.616 184 H ASP 28 H ASP 28 7.411 -8.295 -2.775 185 HA ASP 28 HA ASP 28 6.000 -8.823 -5.198 186 HB3 ASP 28 2HB ASP 28 4.364 -10.030 -3.616 187 H LEU 29 H LEU 29 5.341 -6.690 -2.469 188 HA LEU 29 HA LEU 29 2.540 -6.304 -3.174 189 HB3 LEU 29 2HB LEU 29 2.688 -4.437 -1.475 190 HG LEU 29 HG LEU 29 2.768 -5.686 0.466 191 HD11 LEU 29 1HD1 LEU 29 1.931 -7.709 -1.665 192 HD12 LEU 29 2HD1 LEU 29 0.943 -6.338 -1.112 193 HD13 LEU 29 3HD1 LEU 29 1.367 -7.641 -0.002 194 HD21 LEU 29 3HD2 LEU 29 4.303 -7.956 -0.848 195 HD22 LEU 29 1HD2 LEU 29 3.847 -7.789 0.852 196 HD23 LEU 29 2HD2 LEU 29 5.043 -6.701 0.148 197 H GLU 30 H GLU 30 5.546 -4.794 -4.239 198 HA GLU 30 HA GLU 30 4.036 -2.508 -5.300 199 HB3 GLU 30 2HB GLU 30 6.385 -2.564 -4.051 200 HG3 GLU 30 2HG GLU 30 7.193 -2.742 -6.974 201 H GLU 31 H GLU 31 5.691 -5.506 -6.238 202 HA GLU 31 HA GLU 31 5.477 -5.376 -9.049 203 HB3 GLU 31 2HB GLU 31 5.235 -8.027 -8.574 204 HG3 GLU 31 2HG GLU 31 7.764 -8.009 -8.060 205 H PHE 32 H PHE 32 3.115 -6.393 -6.570 206 HA PHE 32 HA PHE 32 0.949 -7.221 -8.142 207 HB3 PHE 32 2HB PHE 32 0.949 -5.458 -5.673 208 HD1 PHE 32 1HD PHE 32 -0.993 -7.995 -7.700 209 HD2 PHE 32 2HD PHE 32 -1.196 -4.627 -4.983 210 HE1 PHE 32 1HE PHE 32 -3.392 -8.036 -7.843 211 HE2 PHE 32 2HE PHE 32 -3.647 -4.748 -5.038 212 HZ PHE 32 HZ PHE 32 -4.782 -6.478 -6.447 213 H PHE 33 H PHE 33 1.570 -3.835 -7.095 214 HA PHE 33 HA PHE 33 -0.499 -2.790 -8.797 215 HB3 PHE 33 2HB PHE 33 0.429 -0.625 -8.132 216 HD1 PHE 33 1HD PHE 33 -1.961 -1.497 -7.266 217 HD2 PHE 33 2HD PHE 33 1.735 -1.639 -5.033 218 HE1 PHE 33 1HE PHE 33 -3.223 -1.477 -5.140 219 HE2 PHE 33 2HE PHE 33 0.474 -1.530 -2.932 220 HZ PHE 33 HZ PHE 33 -2.013 -1.407 -2.976 221 H SER 34 H SER 34 2.841 -3.638 -9.394 222 HA SER 34 HA SER 34 3.212 -2.023 -11.723 223 HB3 SER 34 2HB SER 34 4.687 -4.525 -11.788 224 HG SER 34 HG SER 34 6.376 -2.949 -11.259 225 H THR 35 H THR 35 0.895 -4.532 -11.351 226 HA THR 35 HA THR 35 0.908 -5.154 -14.198 227 HB THR 35 HB THR 35 -0.204 -6.515 -12.376 228 HG1 THR 35 1HG THR 35 -0.677 -7.148 -14.348 229 HG21 THR 35 3HG2 THR 35 -1.480 -4.579 -11.326 230 HG22 THR 35 1HG2 THR 35 -2.432 -6.023 -11.687 231 HG23 THR 35 2HG2 THR 35 -2.537 -4.612 -12.761 232 H VAL 36 H VAL 36 -0.458 -2.447 -12.167 233 HA VAL 36 HA VAL 36 -1.922 -1.520 -14.481 234 HB VAL 36 HB VAL 36 -2.686 -2.385 -12.100 235 HG11 VAL 36 1HG1 VAL 36 -1.503 -0.891 -10.641 236 HG12 VAL 36 2HG1 VAL 36 -2.349 0.499 -11.338 237 HG13 VAL 36 3HG1 VAL 36 -3.236 -0.749 -10.449 238 HG21 VAL 36 3HG2 VAL 36 -3.978 -0.077 -13.489 239 HG22 VAL 36 1HG2 VAL 36 -4.088 -1.801 -13.893 240 HG23 VAL 36 2HG2 VAL 36 -4.758 -1.216 -12.351 241 H GLY 37 H GLY 37 0.889 -0.594 -12.861 242 HA2 GLY 37 1HA GLY 37 0.806 2.215 -13.635 243 HA3 GLY 37 2HA GLY 37 0.314 1.854 -11.954 244 H LYS 38 H LYS 38 2.529 3.416 -12.025 245 HA LYS 38 HA LYS 38 4.856 1.553 -11.742 246 HB3 LYS 38 2HB LYS 38 5.282 2.805 -13.726 247 HG3 LYS 38 2HG LYS 38 4.792 5.293 -12.063 248 HD3 LYS 38 2HD LYS 38 6.945 5.263 -13.561 249 HE3 LYS 38 2HE LYS 38 4.743 5.873 -15.592 250 HZ1 LYS 38 3HZ LYS 38 6.485 6.227 -17.109 251 HZ2 LYS 38 1HZ LYS 38 7.638 5.613 -16.135 252 HZ3 LYS 38 2HZ LYS 38 6.960 7.063 -15.779 253 H VAL 39 H VAL 39 5.989 1.568 -9.990 254 HA VAL 39 HA VAL 39 5.454 3.562 -7.850 255 HB VAL 39 HB VAL 39 4.300 1.371 -7.719 256 HG11 VAL 39 1HG1 VAL 39 6.913 0.194 -6.896 257 HG12 VAL 39 2HG1 VAL 39 5.317 -0.572 -7.166 258 HG13 VAL 39 3HG1 VAL 39 6.265 0.000 -8.553 259 HG21 VAL 39 3HG2 VAL 39 4.642 0.907 -5.429 260 HG22 VAL 39 1HG2 VAL 39 6.179 1.809 -5.378 261 HG23 VAL 39 2HG2 VAL 39 4.629 2.630 -5.638 262 H ARG 40 H ARG 40 6.973 3.874 -6.325 263 HA ARG 40 HA ARG 40 9.528 4.392 -7.670 264 HB3 ARG 40 2HB ARG 40 8.284 5.611 -5.173 265 HG3 ARG 40 2HG ARG 40 10.769 6.160 -5.806 266 HD3 ARG 40 2HD ARG 40 10.561 8.399 -7.115 267 HE ARG 40 HE ARG 40 11.179 5.838 -8.101 268 HH11 ARG 40 1HH1 ARG 40 10.328 9.045 -9.311 269 HH12 ARG 40 2HH1 ARG 40 11.400 8.991 -10.668 270 HH21 ARG 40 1HH2 ARG 40 12.595 5.711 -9.815 271 HH22 ARG 40 2HH2 ARG 40 12.931 7.115 -10.783 272 H ASP 41 H ASP 41 8.170 3.183 -4.537 273 HA ASP 41 HA ASP 41 10.194 1.246 -4.217 274 HB3 ASP 41 2HB ASP 41 10.679 3.270 -2.042 275 H VAL 42 H VAL 42 10.199 0.637 -1.546 276 HA VAL 42 HA VAL 42 7.497 0.948 -0.485 277 HB VAL 42 HB VAL 42 7.365 -0.876 -2.171 278 HG11 VAL 42 1HG1 VAL 42 9.668 -1.781 -1.984 279 HG12 VAL 42 2HG1 VAL 42 9.251 -2.483 -0.407 280 HG13 VAL 42 3HG1 VAL 42 8.419 -3.021 -1.880 281 HG21 VAL 42 3HG2 VAL 42 5.897 -0.845 -0.199 282 HG22 VAL 42 1HG2 VAL 42 6.190 -2.480 -0.820 283 HG23 VAL 42 2HG2 VAL 42 7.008 -1.914 0.658 284 H ARG 43 H ARG 43 7.377 0.367 1.775 285 HA ARG 43 HA ARG 43 10.003 -0.170 3.129 286 HB3 ARG 43 2HB ARG 43 9.152 1.339 4.959 287 HG3 ARG 43 2HG ARG 43 9.450 2.686 2.241 288 HD3 ARG 43 2HD ARG 43 10.029 3.624 5.080 289 HE ARG 43 HE ARG 43 11.794 4.626 4.041 290 HH11 ARG 43 1HH1 ARG 43 8.938 5.039 1.905 291 HH12 ARG 43 2HH1 ARG 43 9.797 6.059 0.796 292 HH21 ARG 43 1HH2 ARG 43 12.863 6.043 2.532 293 HH22 ARG 43 2HH2 ARG 43 11.971 6.531 1.095 294 H MET 44 H MET 44 9.740 -1.158 5.309 295 HA MET 44 HA MET 44 7.141 -2.466 5.808 296 HB3 MET 44 2HB MET 44 8.139 -4.269 4.680 297 HG3 MET 44 2HG MET 44 10.748 -3.483 5.993 298 HE1 MET 44 3HE MET 44 8.693 -6.850 5.233 299 HE2 MET 44 1HE MET 44 9.368 -6.337 3.678 300 HE3 MET 44 2HE MET 44 9.990 -7.800 4.469 301 H ILE 45 H ILE 45 6.661 -2.398 7.948 302 HA ILE 45 HA ILE 45 8.702 -1.133 9.675 303 HB ILE 45 HB ILE 45 5.832 -1.689 10.503 304 HG13 ILE 45 2HG1 ILE 45 7.088 0.415 8.774 305 HG21 ILE 45 1HG2 ILE 45 8.002 0.078 11.662 306 HG22 ILE 45 2HG2 ILE 45 6.331 -0.081 12.229 307 HG23 ILE 45 3HG2 ILE 45 7.420 -1.457 12.359 308 HD11 ILE 45 3HD1 ILE 45 5.206 -0.999 7.964 309 HD12 ILE 45 1HD1 ILE 45 4.185 -0.308 9.254 310 HD13 ILE 45 2HD1 ILE 45 4.879 0.734 7.985 311 H SER 46 H SER 46 10.124 -2.798 9.494 312 HA SER 46 HA SER 46 9.693 -5.399 10.707 313 HB3 SER 46 2HB SER 46 12.148 -5.549 10.279 314 HG SER 46 HG SER 46 10.710 -6.023 8.629 315 H ASP 47 H ASP 47 9.055 -5.075 12.857 316 HA ASP 47 HA ASP 47 11.069 -3.997 14.709 317 HB3 ASP 47 2HB ASP 47 8.981 -2.509 14.196 318 H ARG 48 H ARG 48 9.693 -4.643 16.985 319 HA ARG 48 HA ARG 48 9.640 -7.618 16.939 320 HB3 ARG 48 2HB ARG 48 11.100 -6.247 19.197 321 HG3 ARG 48 2HG ARG 48 11.405 -8.879 17.715 322 HD3 ARG 48 2HD ARG 48 12.616 -8.484 20.385 323 HE ARG 48 HE ARG 48 13.566 -9.596 17.789 324 HH11 ARG 48 1HH1 ARG 48 14.113 -9.245 21.301 325 HH12 ARG 48 2HH1 ARG 48 15.602 -10.153 21.266 326 HH21 ARG 48 1HH2 ARG 48 15.551 -10.968 17.886 327 HH22 ARG 48 2HH2 ARG 48 16.135 -11.416 19.439 328 H ASN 49 H ASN 49 9.393 -4.993 19.394 329 HA ASN 49 HA ASN 49 6.614 -5.872 19.911 330 HB3 ASN 49 2HB ASN 49 7.380 -5.141 22.445 331 HD21 ASN 49 1HD2 ASN 49 8.511 -8.295 21.759 332 HD22 ASN 49 2HD2 ASN 49 7.013 -9.095 22.205 333 H SER 50 H SER 50 6.620 -4.269 18.382 334 HA SER 50 HA SER 50 5.901 -1.730 19.753 335 HB3 SER 50 2HB SER 50 7.191 -1.507 17.036 336 HG SER 50 HG SER 50 8.189 0.232 18.519 337 H ARG 51 H ARG 51 5.724 -3.197 16.408 338 HA ARG 51 HA ARG 51 2.838 -2.689 16.343 339 HB3 ARG 51 2HB ARG 51 4.610 -1.087 14.471 340 HG3 ARG 51 2HG ARG 51 2.033 -1.175 14.124 341 HD3 ARG 51 2HD ARG 51 0.821 0.627 15.363 342 HE ARG 51 HE ARG 51 1.554 -1.111 17.583 343 HH11 ARG 51 1HH1 ARG 51 -0.741 -0.592 14.878 344 HH12 ARG 51 2HH1 ARG 51 -1.664 -1.995 15.205 345 HH21 ARG 51 1HH2 ARG 51 0.163 -2.812 18.187 346 HH22 ARG 51 2HH2 ARG 51 -1.209 -3.229 17.180 347 H ARG 52 H ARG 52 4.146 -5.119 16.060 348 HA ARG 52 HA ARG 52 5.163 -5.642 13.490 349 HB3 ARG 52 2HB ARG 52 4.244 -8.108 14.261 350 HG3 ARG 52 2HG ARG 52 6.676 -6.633 15.336 351 HD3 ARG 52 2HD ARG 52 6.266 -8.689 16.613 352 HE ARG 52 HE ARG 52 5.564 -9.945 14.199 353 HH11 ARG 52 1HH1 ARG 52 7.840 -10.661 16.842 354 HH12 ARG 52 2HH1 ARG 52 7.580 -12.369 16.766 355 HH21 ARG 52 1HH2 ARG 52 5.269 -12.172 14.092 356 HH22 ARG 52 2HH2 ARG 52 6.220 -13.268 15.052 357 H SER 53 H SER 53 1.897 -5.579 14.732 358 HA SER 53 HA SER 53 -0.158 -5.719 13.805 359 HB3 SER 53 2HB SER 53 -0.405 -4.014 12.063 360 HG SER 53 HG SER 53 1.841 -3.097 13.407 361 H LYS 54 H LYS 54 1.316 -8.000 13.221 362 HA LYS 54 HA LYS 54 1.562 -9.775 11.844 363 HB3 LYS 54 2HB LYS 54 -0.252 -10.770 12.343 364 HG3 LYS 54 2HG LYS 54 -1.456 -8.660 12.900 365 HD3 LYS 54 2HD LYS 54 -1.962 -8.118 10.391 366 HE3 LYS 54 2HE LYS 54 -4.308 -9.943 11.084 367 HZ1 LYS 54 3HZ LYS 54 -3.682 -8.524 8.583 368 HZ2 LYS 54 1HZ LYS 54 -4.746 -7.947 9.718 369 HZ3 LYS 54 2HZ LYS 54 -5.082 -9.344 8.941 370 H GLY 55 H GLY 55 2.633 -7.517 10.614 371 HA2 GLY 55 1HA GLY 55 3.967 -7.654 8.685 372 HA3 GLY 55 2HA GLY 55 2.756 -8.660 7.883 373 H ILE 56 H ILE 56 4.074 -5.584 7.969 374 HA ILE 56 HA ILE 56 1.768 -4.312 6.690 375 HB ILE 56 HB ILE 56 2.549 -2.270 8.296 376 HG13 ILE 56 2HG1 ILE 56 2.616 -4.594 10.243 377 HG21 ILE 56 1HG2 ILE 56 0.238 -3.137 7.904 378 HG22 ILE 56 2HG2 ILE 56 0.509 -4.386 9.125 379 HG23 ILE 56 3HG2 ILE 56 0.511 -2.673 9.590 380 HD11 ILE 56 3HD1 ILE 56 4.887 -2.977 9.192 381 HD12 ILE 56 1HD1 ILE 56 4.861 -3.675 10.851 382 HD13 ILE 56 2HD1 ILE 56 4.796 -4.731 9.438 383 H ALA 57 H ALA 57 2.322 -2.780 5.205 384 HA ALA 57 HA ALA 57 5.044 -1.726 5.057 385 HB1 ALA 57 1HB ALA 57 5.178 -2.561 2.617 386 HB2 ALA 57 2HB ALA 57 5.297 -3.868 3.815 387 HB3 ALA 57 3HB ALA 57 3.777 -3.575 2.929 388 H TYR 58 H TYR 58 5.067 0.092 3.627 389 HA TYR 58 HA TYR 58 2.487 0.981 2.371 390 HB3 TYR 58 2HB TYR 58 3.228 3.290 2.883 391 HD1 TYR 58 2HD TYR 58 4.045 1.123 5.816 392 HD2 TYR 58 1HD TYR 58 1.218 3.882 4.040 393 HE1 TYR 58 2HE TYR 58 2.728 1.021 7.841 394 HE2 TYR 58 1HE TYR 58 -0.066 3.877 6.166 395 HH TYR 58 HH TYR 58 0.943 1.959 9.014 396 H VAL 59 H VAL 59 2.790 2.018 0.361 397 HA VAL 59 HA VAL 59 5.373 1.349 -0.982 398 HB VAL 59 HB VAL 59 2.696 0.945 -2.295 399 HG11 VAL 59 1HG1 VAL 59 3.807 -0.540 -3.677 400 HG12 VAL 59 2HG1 VAL 59 5.072 0.653 -3.320 401 HG13 VAL 59 3HG1 VAL 59 5.066 -0.905 -2.488 402 HG21 VAL 59 3HG2 VAL 59 3.735 -1.107 -0.307 403 HG22 VAL 59 1HG2 VAL 59 2.174 -0.276 -0.297 404 HG23 VAL 59 2HG2 VAL 59 2.548 -1.425 -1.575 405 H GLU 60 H GLU 60 6.226 3.125 -2.034 406 HA GLU 60 HA GLU 60 4.522 5.504 -2.238 407 HB3 GLU 60 2HB GLU 60 7.509 5.201 -2.776 408 HG3 GLU 60 2HG GLU 60 5.920 7.701 -2.059 409 H PHE 61 H PHE 61 3.153 4.872 -4.170 410 HA PHE 61 HA PHE 61 4.169 4.392 -6.660 411 HB3 PHE 61 2HB PHE 61 1.991 6.273 -6.877 412 HD1 PHE 61 2HD PHE 61 2.481 2.697 -6.104 413 HD2 PHE 61 1HD PHE 61 1.175 5.510 -9.073 414 HE1 PHE 61 2HE PHE 61 2.018 0.831 -7.645 415 HE2 PHE 61 1HE PHE 61 0.653 3.651 -10.602 416 HZ PHE 61 HZ PHE 61 1.074 1.272 -9.899 417 H VAL 62 H VAL 62 4.436 5.710 -8.590 418 HA VAL 62 HA VAL 62 6.031 8.069 -7.995 419 HB VAL 62 HB VAL 62 5.073 6.974 -10.668 420 HG11 VAL 62 1HG1 VAL 62 6.987 8.218 -11.628 421 HG12 VAL 62 2HG1 VAL 62 5.848 9.308 -10.846 422 HG13 VAL 62 3HG1 VAL 62 7.360 8.887 -10.022 423 HG21 VAL 62 3HG2 VAL 62 6.485 5.299 -9.447 424 HG22 VAL 62 1HG2 VAL 62 7.278 5.924 -10.885 425 HG23 VAL 62 2HG2 VAL 62 7.754 6.517 -9.274 426 H ASP 63 H ASP 63 2.618 7.397 -8.849 427 HA ASP 63 HA ASP 63 2.037 10.302 -9.093 428 HB3 ASP 63 2HB ASP 63 0.275 8.863 -10.805 429 H VAL 64 H VAL 64 -0.037 10.873 -8.265 430 HA VAL 64 HA VAL 64 -1.180 9.038 -6.369 431 HB VAL 64 HB VAL 64 -1.110 11.238 -5.665 432 HG11 VAL 64 1HG1 VAL 64 -0.784 12.480 -7.656 433 HG12 VAL 64 2HG1 VAL 64 -2.434 12.086 -8.235 434 HG13 VAL 64 3HG1 VAL 64 -2.171 13.151 -6.819 435 HG21 VAL 64 3HG2 VAL 64 -4.022 11.049 -6.508 436 HG22 VAL 64 1HG2 VAL 64 -3.327 10.112 -5.179 437 HG23 VAL 64 2HG2 VAL 64 -3.323 11.871 -5.104 438 H SER 65 H SER 65 -1.930 9.603 -9.787 439 HA SER 65 HA SER 65 -4.709 9.266 -9.666 440 HB3 SER 65 2HB SER 65 -3.842 10.132 -11.642 441 HG SER 65 HG SER 65 -2.308 8.829 -12.900 442 H SER 66 H SER 66 -2.258 6.766 -9.305 443 HA SER 66 HA SER 66 -4.229 4.656 -9.744 444 HB3 SER 66 2HB SER 66 -2.389 3.190 -9.681 445 HG SER 66 HG SER 66 -2.147 4.274 -11.563 446 H VAL 67 H VAL 67 -3.586 6.649 -7.039 447 HA VAL 67 HA VAL 67 -3.520 4.723 -4.940 448 HB VAL 67 HB VAL 67 -4.357 7.641 -5.015 449 HG11 VAL 67 1HG1 VAL 67 -4.325 7.657 -2.612 450 HG12 VAL 67 2HG1 VAL 67 -5.572 6.525 -3.141 451 HG13 VAL 67 3HG1 VAL 67 -4.002 5.920 -2.545 452 HG21 VAL 67 3HG2 VAL 67 -2.219 7.786 -3.626 453 HG22 VAL 67 1HG2 VAL 67 -1.898 6.105 -4.044 454 HG23 VAL 67 2HG2 VAL 67 -1.995 7.353 -5.315 455 HA PRO 68 HA PRO 68 -8.255 4.861 -4.729 456 HB3 PRO 68 2HB PRO 68 -9.267 6.780 -5.431 457 HG3 PRO 68 2HG PRO 68 -8.342 8.101 -7.180 458 HD3 PRO 68 2HD PRO 68 -6.607 7.736 -5.613 459 H LEU 69 H LEU 69 -6.326 4.109 -7.508 460 HA LEU 69 HA LEU 69 -8.096 2.165 -8.683 461 HB3 LEU 69 2HB LEU 69 -5.119 1.849 -8.927 462 HG LEU 69 HG LEU 69 -7.440 2.012 -10.905 463 HD11 LEU 69 1HD1 LEU 69 -5.788 1.484 -12.641 464 HD12 LEU 69 2HD1 LEU 69 -4.482 1.552 -11.428 465 HD13 LEU 69 3HD1 LEU 69 -5.411 3.010 -11.837 466 HD21 LEU 69 3HD2 LEU 69 -5.721 -0.353 -10.065 467 HD22 LEU 69 1HD2 LEU 69 -6.830 -0.317 -11.461 468 HD23 LEU 69 2HD2 LEU 69 -7.476 -0.150 -9.828 469 H ALA 70 H ALA 70 -5.543 2.106 -6.110 470 HA ALA 70 HA ALA 70 -5.535 -0.662 -5.643 471 HB1 ALA 70 1HB ALA 70 -4.535 -0.063 -3.496 472 HB2 ALA 70 2HB ALA 70 -3.859 0.962 -4.782 473 HB3 ALA 70 3HB ALA 70 -5.087 1.612 -3.666 474 H ILE 71 H ILE 71 -7.940 1.763 -4.675 475 HA ILE 71 HA ILE 71 -9.079 0.236 -2.543 476 HB ILE 71 HB ILE 71 -10.315 2.381 -4.325 477 HG13 ILE 71 2HG1 ILE 71 -8.321 3.033 -2.903 478 HG21 ILE 71 1HG2 ILE 71 -12.157 1.146 -3.445 479 HG22 ILE 71 2HG2 ILE 71 -11.396 0.979 -1.853 480 HG23 ILE 71 3HG2 ILE 71 -12.008 2.550 -2.404 481 HD11 ILE 71 3HD1 ILE 71 -9.206 5.000 -1.920 482 HD12 ILE 71 1HD1 ILE 71 -10.158 4.706 -3.390 483 HD13 ILE 71 2HD1 ILE 71 -10.831 4.322 -1.787 484 H GLY 72 H GLY 72 -9.676 0.279 -6.081 485 HA2 GLY 72 1HA GLY 72 -11.777 -1.692 -6.071 486 HA3 GLY 72 2HA GLY 72 -10.742 -1.286 -7.431 487 H LEU 73 H LEU 73 -8.408 -2.041 -5.331 488 HA LEU 73 HA LEU 73 -8.330 -4.836 -6.267 489 HB3 LEU 73 2HB LEU 73 -5.907 -4.663 -5.838 490 HG LEU 73 HG LEU 73 -6.950 -2.407 -7.596 491 HD11 LEU 73 1HD1 LEU 73 -4.765 -2.468 -8.703 492 HD12 LEU 73 2HD1 LEU 73 -4.191 -3.705 -7.568 493 HD13 LEU 73 3HD1 LEU 73 -4.568 -2.067 -6.997 494 HD21 LEU 73 3HD2 LEU 73 -6.039 -5.219 -8.332 495 HD22 LEU 73 1HD2 LEU 73 -6.537 -3.956 -9.465 496 HD23 LEU 73 2HD2 LEU 73 -7.724 -4.639 -8.353 497 H THR 74 H THR 74 -9.259 -3.277 -3.451 498 HA THR 74 HA THR 74 -8.102 -4.543 -1.311 499 HB THR 74 HB THR 74 -9.744 -2.825 -1.081 500 HG1 THR 74 1HG THR 74 -10.648 -5.125 0.272 501 HG21 THR 74 3HG2 THR 74 -11.450 -3.641 -2.777 502 HG22 THR 74 1HG2 THR 74 -12.108 -3.172 -1.204 503 HG23 THR 74 2HG2 THR 74 -11.930 -4.883 -1.612 504 H GLY 75 H GLY 75 -10.511 -5.964 -3.456 505 HA2 GLY 75 1HA GLY 75 -10.739 -8.361 -1.783 506 HA3 GLY 75 2HA GLY 75 -11.730 -7.926 -3.180 507 H GLN 76 H GLN 76 -8.410 -7.682 -3.951 508 HA GLN 76 HA GLN 76 -8.428 -10.298 -5.345 509 HB3 GLN 76 2HB GLN 76 -6.500 -9.616 -6.454 510 HG3 GLN 76 2HG GLN 76 -7.800 -6.907 -6.305 511 HE21 GLN 76 1HE2 GLN 76 -8.909 -7.372 -9.104 512 HE22 GLN 76 2HE2 GLN 76 -7.455 -7.666 -10.075 513 H ARG 77 H ARG 77 -5.843 -11.100 -5.097 514 HA ARG 77 HA ARG 77 -4.934 -11.034 -2.361 515 HB3 ARG 77 2HB ARG 77 -6.447 -12.729 -1.864 516 HG3 ARG 77 2HG ARG 77 -5.932 -13.952 -4.602 517 HD3 ARG 77 2HD ARG 77 -7.013 -15.096 -2.085 518 HE ARG 77 HE ARG 77 -8.589 -15.474 -4.584 519 HH11 ARG 77 1HH1 ARG 77 -8.642 -14.891 -1.023 520 HH12 ARG 77 2HH1 ARG 77 -10.362 -15.080 -0.947 521 HH21 ARG 77 1HH2 ARG 77 -10.889 -15.759 -4.334 522 HH22 ARG 77 2HH2 ARG 77 -11.594 -15.501 -2.754 523 H VAL 78 H VAL 78 -2.762 -10.812 -2.662 524 HA VAL 78 HA VAL 78 -1.626 -11.642 -5.194 525 HB VAL 78 HB VAL 78 -0.343 -10.213 -2.802 526 HG11 VAL 78 1HG1 VAL 78 1.335 -9.451 -4.450 527 HG12 VAL 78 2HG1 VAL 78 1.335 -11.212 -4.338 528 HG13 VAL 78 3HG1 VAL 78 0.549 -10.416 -5.719 529 HG21 VAL 78 3HG2 VAL 78 -1.715 -9.169 -5.298 530 HG22 VAL 78 1HG2 VAL 78 -2.187 -8.870 -3.613 531 HG23 VAL 78 2HG2 VAL 78 -0.685 -8.175 -4.230 532 H LEU 79 H LEU 79 -1.407 -13.777 -5.274 533 HA LEU 79 HA LEU 79 -1.019 -15.933 -4.747 534 HB3 LEU 79 2HB LEU 79 1.102 -16.605 -4.012 535 HG LEU 79 HG LEU 79 1.771 -13.897 -5.221 536 HD11 LEU 79 1HD1 LEU 79 3.629 -15.276 -4.269 537 HD12 LEU 79 2HD1 LEU 79 3.762 -15.076 -6.022 538 HD13 LEU 79 3HD1 LEU 79 3.172 -16.606 -5.345 539 HD21 LEU 79 3HD2 LEU 79 1.793 -15.167 -7.432 540 HD22 LEU 79 1HD2 LEU 79 0.195 -14.827 -6.777 541 HD23 LEU 79 2HD2 LEU 79 0.881 -16.450 -6.599 542 H GLY 80 H GLY 80 -2.568 -14.256 -2.772 543 HA2 GLY 80 1HA GLY 80 -3.903 -15.688 -1.149 544 HA3 GLY 80 2HA GLY 80 -2.328 -16.091 -0.457 545 H VAL 81 H VAL 81 -1.830 -12.984 -1.273 546 HA VAL 81 HA VAL 81 -2.564 -11.916 1.348 547 HB VAL 81 HB VAL 81 -0.408 -11.198 -0.651 548 HG11 VAL 81 1HG1 VAL 81 -0.899 -9.122 0.330 549 HG12 VAL 81 2HG1 VAL 81 -1.294 -9.839 1.900 550 HG13 VAL 81 3HG1 VAL 81 0.399 -9.763 1.316 551 HG21 VAL 81 3HG2 VAL 81 -0.033 -13.277 0.623 552 HG22 VAL 81 1HG2 VAL 81 1.015 -12.005 1.248 553 HG23 VAL 81 2HG2 VAL 81 -0.473 -12.446 2.125 554 HA PRO 82 HA PRO 82 -5.531 -9.367 -1.139 555 HB3 PRO 82 2HB PRO 82 -7.311 -10.462 -0.113 556 HG3 PRO 82 2HG PRO 82 -7.126 -11.400 2.069 557 HD3 PRO 82 2HD PRO 82 -5.446 -12.376 0.737 558 H ILE 83 H ILE 83 -6.377 -7.085 -0.397 559 HA ILE 83 HA ILE 83 -4.407 -5.817 1.416 560 HB ILE 83 HB ILE 83 -3.771 -5.568 -0.961 561 HG13 ILE 83 2HG1 ILE 83 -3.125 -3.987 0.878 562 HG21 ILE 83 1HG2 ILE 83 -4.936 -4.282 -2.544 563 HG22 ILE 83 2HG2 ILE 83 -6.155 -5.339 -1.838 564 HG23 ILE 83 3HG2 ILE 83 -6.071 -3.638 -1.337 565 HD11 ILE 83 3HD1 ILE 83 -2.065 -3.780 -1.332 566 HD12 ILE 83 1HD1 ILE 83 -3.386 -2.697 -1.854 567 HD13 ILE 83 2HD1 ILE 83 -2.287 -2.201 -0.553 568 H ILE 84 H ILE 84 -5.133 -3.602 2.108 569 HA ILE 84 HA ILE 84 -8.044 -3.652 2.756 570 HB ILE 84 HB ILE 84 -5.681 -2.251 4.111 571 HG13 ILE 84 2HG1 ILE 84 -6.086 -3.692 6.018 572 HG21 ILE 84 1HG2 ILE 84 -7.631 -0.860 4.426 573 HG22 ILE 84 2HG2 ILE 84 -8.638 -2.237 4.852 574 HG23 ILE 84 3HG2 ILE 84 -7.327 -1.712 5.930 575 HD11 ILE 84 3HD1 ILE 84 -7.362 -5.665 5.973 576 HD12 ILE 84 1HD1 ILE 84 -8.459 -4.317 5.719 577 HD13 ILE 84 2HD1 ILE 84 -7.981 -5.332 4.332 578 H VAL 85 H VAL 85 -9.256 -2.015 1.904 579 HA VAL 85 HA VAL 85 -8.717 -0.236 -0.056 580 HB VAL 85 HB VAL 85 -10.567 -0.232 2.327 581 HG11 VAL 85 1HG1 VAL 85 -10.477 2.149 1.779 582 HG12 VAL 85 2HG1 VAL 85 -10.731 1.798 0.067 583 HG13 VAL 85 3HG1 VAL 85 -12.006 1.460 1.262 584 HG21 VAL 85 3HG2 VAL 85 -10.891 -0.882 -0.608 585 HG22 VAL 85 1HG2 VAL 85 -10.999 -1.969 0.792 586 HG23 VAL 85 2HG2 VAL 85 -12.245 -0.755 0.539 587 H GLN 86 H GLN 86 -7.546 0.223 3.204 588 HA GLN 86 HA GLN 86 -7.801 2.799 3.768 589 HB3 GLN 86 2HB GLN 86 -5.262 2.509 4.726 590 HG3 GLN 86 2HG GLN 86 -7.620 0.938 5.829 591 HE21 GLN 86 1HE2 GLN 86 -5.335 3.355 7.070 592 HE22 GLN 86 2HE2 GLN 86 -4.801 2.431 8.480 593 H ALA 87 H ALA 87 -5.004 1.728 1.765 594 HA ALA 87 HA ALA 87 -3.599 2.857 0.426 595 HB1 ALA 87 1HB ALA 87 -6.167 4.378 -0.141 596 HB2 ALA 87 2HB ALA 87 -4.729 4.364 -1.176 597 HB3 ALA 87 3HB ALA 87 -5.623 2.878 -0.909 598 H SER 88 H SER 88 -3.059 3.675 2.965 599 HA SER 88 HA SER 88 -2.240 5.400 4.263 600 HB3 SER 88 2HB SER 88 -1.472 6.654 1.626 601 HG SER 88 HG SER 88 -0.436 6.825 4.288 602 H GLN 89 H GLN 89 -2.388 8.212 3.459 603 HA GLN 89 HA GLN 89 -3.753 10.017 3.890 604 HB3 GLN 89 2HB GLN 89 -5.267 10.135 2.063 605 HG3 GLN 89 2HG GLN 89 -2.758 8.876 1.133 606 HE21 GLN 89 1HE2 GLN 89 -5.515 11.136 0.268 607 HE22 GLN 89 2HE2 GLN 89 -5.320 10.889 -1.435 608 H ALA 90 H ALA 90 -4.573 9.563 6.114 609 HA ALA 90 HA ALA 90 -7.463 9.427 6.038 610 HB1 ALA 90 1HB ALA 90 -6.671 6.968 6.161 611 HB2 ALA 90 2HB ALA 90 -6.064 7.356 7.770 612 HB3 ALA 90 3HB ALA 90 -7.797 7.506 7.400 613 H GLU 91 H GLU 91 -8.443 9.791 8.173 614 HA GLU 91 HA GLU 91 -6.668 10.876 10.263 615 HB3 GLU 91 2HB GLU 91 -9.673 10.941 9.867 616 HG3 GLU 91 2HG GLU 91 -8.648 13.221 11.312 617 H LYS 92 H LYS 92 -7.438 8.046 9.284 618 HA LYS 92 HA LYS 92 -8.854 6.732 11.472 619 HB3 LYS 92 2HB LYS 92 -7.920 4.628 10.323 620 HG3 LYS 92 2HG LYS 92 -9.061 5.178 8.026 621 HD3 LYS 92 2HD LYS 92 -10.526 5.244 10.693 622 HE3 LYS 92 2HE LYS 92 -12.091 6.112 9.045 623 HZ1 LYS 92 3HZ LYS 92 -11.236 3.842 7.359 624 HZ2 LYS 92 1HZ LYS 92 -11.325 5.436 6.966 625 HZ3 LYS 92 2HZ LYS 92 -12.689 4.575 7.193 626 H ASN 93 H ASN 93 -7.877 5.232 13.032 627 HA ASN 93 HA ASN 93 -5.081 4.779 12.894 628 HB3 ASN 93 2HB ASN 93 -4.808 6.675 14.308 629 HD21 ASN 93 1HD2 ASN 93 -7.242 4.566 16.036 630 HD22 ASN 93 2HD2 ASN 93 -7.837 5.815 17.072 631 H ARG 94 H ARG 94 -4.588 2.914 13.823 632 HA ARG 94 HA ARG 94 -4.890 0.718 14.496 633 HB3 ARG 94 2HB ARG 94 -5.870 2.460 16.795 634 HG3 ARG 94 2HG ARG 94 -4.639 -0.313 16.820 635 HD3 ARG 94 2HD ARG 94 -3.715 1.959 18.356 636 HE ARG 94 HE ARG 94 -5.096 -0.114 19.984 637 HH11 ARG 94 1HH1 ARG 94 -3.627 3.137 19.913 638 HH12 ARG 94 2HH1 ARG 94 -3.436 3.215 21.633 639 HH21 ARG 94 1HH2 ARG 94 -4.778 0.046 22.341 640 HH22 ARG 94 2HH2 ARG 94 -4.153 1.536 22.958 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -20.101 13.993 -9.204 2 HA2 GLY 1 1HA GLY 1 -18.867 13.641 -6.535 3 HA3 GLY 1 2HA GLY 1 -18.197 13.038 -8.054 4 H HIS 2 H HIS 2 -16.296 14.189 -8.240 5 HA HIS 2 HA HIS 2 -16.331 17.113 -8.319 6 HB3 HIS 2 2HB HIS 2 -15.668 16.849 -6.059 7 HD1 HIS 2 1HD HIS 2 -12.317 15.014 -6.896 8 HD2 HIS 2 2HD HIS 2 -16.040 14.495 -4.908 9 HE1 HIS 2 1HE HIS 2 -12.081 13.025 -5.417 10 H MET 3 H MET 3 -14.069 17.785 -9.213 11 HA MET 3 HA MET 3 -12.804 15.689 -10.857 12 HB3 MET 3 2HB MET 3 -13.763 18.238 -12.205 13 HG3 MET 3 2HG MET 3 -13.061 15.472 -13.282 14 HE1 MET 3 3HE MET 3 -15.803 17.529 -14.091 15 HE2 MET 3 1HE MET 3 -15.845 16.926 -15.759 16 HE3 MET 3 2HE MET 3 -15.533 15.802 -14.414 17 H ASN 4 H ASN 4 -11.709 16.541 -8.644 18 HA ASN 4 HA ASN 4 -9.387 17.923 -9.504 19 HB3 ASN 4 2HB ASN 4 -10.109 19.252 -7.011 20 HD21 ASN 4 1HD2 ASN 4 -10.449 20.189 -10.494 21 HD22 ASN 4 2HD2 ASN 4 -9.023 21.204 -10.502 22 H LEU 5 H LEU 5 -7.708 17.569 -8.004 23 HA LEU 5 HA LEU 5 -8.112 15.319 -6.095 24 HB3 LEU 5 2HB LEU 5 -5.742 16.225 -7.794 25 HG LEU 5 HG LEU 5 -5.780 14.546 -5.473 26 HD11 LEU 5 1HD1 LEU 5 -5.225 12.926 -8.000 27 HD12 LEU 5 2HD1 LEU 5 -6.655 12.752 -6.959 28 HD13 LEU 5 3HD1 LEU 5 -5.062 12.388 -6.310 29 HD21 LEU 5 3HD2 LEU 5 -3.689 14.863 -7.659 30 HD22 LEU 5 1HD2 LEU 5 -3.396 14.311 -5.984 31 HD23 LEU 5 2HD2 LEU 5 -3.935 15.966 -6.267 32 H THR 6 H THR 6 -7.302 15.744 -3.930 33 HA THR 6 HA THR 6 -6.987 18.577 -3.398 34 HB THR 6 HB THR 6 -6.875 17.701 -0.988 35 HG1 THR 6 1HG THR 6 -7.712 15.511 -0.892 36 HG21 THR 6 3HG2 THR 6 -9.226 16.923 -2.757 37 HG22 THR 6 1HG2 THR 6 -8.919 18.533 -2.079 38 HG23 THR 6 2HG2 THR 6 -9.280 17.187 -1.003 39 HA PRO 7 HA PRO 7 -2.587 18.918 -2.989 40 HB3 PRO 7 2HB PRO 7 -2.641 20.947 -1.900 41 HG3 PRO 7 2HG PRO 7 -4.490 21.509 -0.554 42 HD3 PRO 7 2HD PRO 7 -5.570 20.563 -2.429 43 H GLU 8 H GLU 8 -4.322 17.647 -0.136 44 HA GLU 8 HA GLU 8 -2.231 16.285 1.118 45 HB3 GLU 8 2HB GLU 8 -4.012 14.979 2.204 46 HG3 GLU 8 2HG GLU 8 -4.937 17.859 1.806 47 H GLU 9 H GLU 9 -4.618 15.009 -1.301 48 HA GLU 9 HA GLU 9 -3.647 12.407 -1.491 49 HB3 GLU 9 2HB GLU 9 -4.484 12.739 -3.955 50 HG3 GLU 9 2HG GLU 9 -6.397 13.298 -1.651 51 H ARG 10 H ARG 10 -2.522 15.350 -3.148 52 HA ARG 10 HA ARG 10 -0.631 13.962 -4.838 53 HB3 ARG 10 2HB ARG 10 -0.491 16.925 -4.139 54 HG3 ARG 10 2HG ARG 10 -0.371 15.441 -6.800 55 HD3 ARG 10 2HD ARG 10 0.568 18.258 -6.139 56 HE ARG 10 HE ARG 10 0.586 16.643 -8.514 57 HH11 ARG 10 1HH1 ARG 10 0.176 20.051 -7.471 58 HH12 ARG 10 2HH1 ARG 10 0.408 20.643 -9.086 59 HH21 ARG 10 1HH2 ARG 10 1.045 17.555 -10.581 60 HH22 ARG 10 2HH2 ARG 10 1.077 19.273 -10.757 61 H ASP 11 H ASP 11 -0.429 15.403 -1.660 62 HA ASP 11 HA ASP 11 2.471 15.453 -1.445 63 HB3 ASP 11 2HB ASP 11 1.120 15.220 1.111 64 H ALA 12 H ALA 12 -0.176 13.351 -0.484 65 HA ALA 12 HA ALA 12 1.132 11.775 1.346 66 HB1 ALA 12 1HB ALA 12 -0.974 10.424 1.199 67 HB2 ALA 12 2HB ALA 12 -1.252 12.142 1.276 68 HB3 ALA 12 3HB ALA 12 -1.403 11.303 -0.282 69 H ARG 13 H ARG 13 0.028 10.547 -1.820 70 HA ARG 13 HA ARG 13 0.668 8.733 -3.078 71 HB3 ARG 13 2HB ARG 13 3.161 9.039 -3.809 72 HG3 ARG 13 2HG ARG 13 0.815 10.866 -4.143 73 HD3 ARG 13 2HD ARG 13 2.909 12.300 -4.008 74 HE ARG 13 HE ARG 13 3.923 10.520 -5.984 75 HH11 ARG 13 1HH1 ARG 13 3.533 13.980 -5.319 76 HH12 ARG 13 2HH1 ARG 13 4.425 14.462 -6.735 77 HH21 ARG 13 1HH2 ARG 13 5.402 11.179 -7.607 78 HH22 ARG 13 2HH2 ARG 13 5.984 12.818 -7.668 79 H THR 14 H THR 14 0.164 7.459 -0.984 80 HA THR 14 HA THR 14 2.173 5.317 -1.026 81 HB THR 14 HB THR 14 0.897 5.931 1.617 82 HG1 THR 14 1HG THR 14 3.264 7.132 1.724 83 HG21 THR 14 3HG2 THR 14 3.690 4.904 1.104 84 HG22 THR 14 1HG2 THR 14 2.249 3.915 1.466 85 HG23 THR 14 2HG2 THR 14 2.852 5.067 2.652 86 H VAL 15 H VAL 15 1.124 3.272 -0.319 87 HA VAL 15 HA VAL 15 -1.859 3.409 -0.113 88 HB VAL 15 HB VAL 15 -1.962 1.103 -1.018 89 HG11 VAL 15 1HG1 VAL 15 -0.792 3.102 -2.990 90 HG12 VAL 15 2HG1 VAL 15 -1.965 1.794 -3.314 91 HG13 VAL 15 3HG1 VAL 15 -2.443 3.190 -2.370 92 HG21 VAL 15 3HG2 VAL 15 0.928 1.644 -1.891 93 HG22 VAL 15 1HG2 VAL 15 0.391 0.438 -0.698 94 HG23 VAL 15 2HG2 VAL 15 -0.080 0.310 -2.412 95 H PHE 16 H PHE 16 -2.541 1.016 1.077 96 HA PHE 16 HA PHE 16 -0.682 0.623 3.242 97 HB3 PHE 16 2HB PHE 16 -3.428 1.784 3.788 98 HD1 PHE 16 2HD PHE 16 -0.497 -0.135 5.200 99 HD2 PHE 16 1HD PHE 16 -4.174 1.956 6.091 100 HE1 PHE 16 2HE PHE 16 -0.617 -1.295 7.311 101 HE2 PHE 16 1HE PHE 16 -4.316 0.730 8.245 102 HZ PHE 16 HZ PHE 16 -2.532 -0.956 8.848 103 H CYS 17 H CYS 17 -0.444 -1.390 2.920 104 HA CYS 17 HA CYS 17 -2.619 -3.243 2.283 105 HB3 CYS 17 2HB CYS 17 -0.866 -4.805 1.885 106 HG CYS 17 HG CYS 17 0.527 -3.913 -0.091 107 H MET 18 H MET 18 -3.813 -3.338 4.209 108 HA MET 18 HA MET 18 -2.436 -4.255 6.678 109 HB3 MET 18 2HB MET 18 -5.231 -3.127 6.377 110 HG3 MET 18 2HG MET 18 -3.335 -3.403 8.748 111 HE1 MET 18 3HE MET 18 -7.574 -1.523 8.989 112 HE2 MET 18 1HE MET 18 -6.862 -2.132 7.489 113 HE3 MET 18 2HE MET 18 -7.261 -3.271 8.792 114 H GLN 19 H GLN 19 -2.592 -6.264 4.793 115 HA GLN 19 HA GLN 19 -4.192 -8.267 6.019 116 HB3 GLN 19 2HB GLN 19 -5.138 -7.683 3.171 117 HG3 GLN 19 2HG GLN 19 -6.246 -9.166 5.583 118 HE21 GLN 19 1HE2 GLN 19 -7.115 -8.061 2.225 119 HE22 GLN 19 2HE2 GLN 19 -8.828 -8.213 2.450 120 H LEU 20 H LEU 20 -1.837 -8.820 6.024 121 HA LEU 20 HA LEU 20 -0.745 -9.605 3.354 122 HB3 LEU 20 2HB LEU 20 1.465 -9.439 4.410 123 HG LEU 20 HG LEU 20 -0.205 -6.927 4.929 124 HD11 LEU 20 1HD1 LEU 20 2.757 -7.237 4.376 125 HD12 LEU 20 2HD1 LEU 20 2.040 -6.915 5.976 126 HD13 LEU 20 3HD1 LEU 20 1.881 -5.731 4.672 127 HD21 LEU 20 3HD2 LEU 20 1.184 -7.908 2.396 128 HD22 LEU 20 1HD2 LEU 20 0.707 -6.230 2.657 129 HD23 LEU 20 2HD2 LEU 20 -0.529 -7.489 2.606 130 H ALA 21 H ALA 21 0.786 -11.498 3.358 131 HA ALA 21 HA ALA 21 -0.418 -13.766 4.848 132 HB1 ALA 21 1HB ALA 21 0.642 -15.194 3.127 133 HB2 ALA 21 2HB ALA 21 -0.465 -14.023 2.405 134 HB3 ALA 21 3HB ALA 21 1.313 -13.758 2.345 135 H ALA 22 H ALA 22 1.229 -15.565 5.190 136 HA ALA 22 HA ALA 22 2.991 -14.544 7.196 137 HB1 ALA 22 1HB ALA 22 2.849 -17.398 6.102 138 HB2 ALA 22 2HB ALA 22 3.459 -16.886 7.677 139 HB3 ALA 22 3HB ALA 22 1.741 -16.722 7.311 140 H ARG 23 H ARG 23 3.602 -15.723 3.910 141 HA ARG 23 HA ARG 23 6.539 -15.326 4.329 142 HB3 ARG 23 2HB ARG 23 5.256 -17.451 2.568 143 HG3 ARG 23 2HG ARG 23 7.370 -18.686 3.470 144 HD3 ARG 23 2HD ARG 23 7.944 -16.518 1.430 145 HE ARG 23 HE ARG 23 8.774 -19.359 1.422 146 HH11 ARG 23 1HH1 ARG 23 9.830 -15.953 1.616 147 HH12 ARG 23 2HH1 ARG 23 11.444 -16.299 1.082 148 HH21 ARG 23 1HH2 ARG 23 10.887 -19.799 0.735 149 HH22 ARG 23 2HH2 ARG 23 11.993 -18.520 0.366 150 H ILE 24 H ILE 24 5.323 -13.165 3.680 151 HA ILE 24 HA ILE 24 5.375 -12.771 0.761 152 HB ILE 24 HB ILE 24 3.677 -11.699 2.091 153 HG13 ILE 24 2HG1 ILE 24 4.709 -10.614 0.056 154 HG21 ILE 24 1HG2 ILE 24 5.860 -10.204 3.597 155 HG22 ILE 24 2HG2 ILE 24 4.108 -9.932 3.721 156 HG23 ILE 24 3HG2 ILE 24 4.791 -11.451 4.272 157 HD11 ILE 24 3HD1 ILE 24 2.544 -9.872 1.185 158 HD12 ILE 24 1HD1 ILE 24 3.498 -8.558 1.913 159 HD13 ILE 24 2HD1 ILE 24 3.372 -8.711 0.148 160 H ARG 25 H ARG 25 6.988 -11.295 -0.201 161 HA ARG 25 HA ARG 25 9.487 -10.921 1.384 162 HB3 ARG 25 2HB ARG 25 10.364 -10.648 -1.160 163 HG3 ARG 25 2HG ARG 25 9.930 -13.399 0.110 164 HD3 ARG 25 2HD ARG 25 12.183 -13.827 -1.067 165 HE ARG 25 HE ARG 25 10.057 -13.380 -3.107 166 HH11 ARG 25 1HH1 ARG 25 11.870 -15.780 -1.124 167 HH12 ARG 25 2HH1 ARG 25 11.008 -17.107 -1.854 168 HH21 ARG 25 1HH2 ARG 25 8.825 -15.246 -3.774 169 HH22 ARG 25 2HH2 ARG 25 9.426 -16.808 -3.325 170 HA PRO 26 HA PRO 26 8.697 -6.587 0.608 171 HB3 PRO 26 2HB PRO 26 10.657 -5.950 1.596 172 HG3 PRO 26 2HG PRO 26 12.620 -7.287 1.393 173 HD3 PRO 26 2HD PRO 26 10.895 -8.763 2.110 174 H ARG 27 H ARG 27 10.206 -8.592 -1.873 175 HA ARG 27 HA ARG 27 9.710 -6.769 -4.070 176 HB3 ARG 27 2HB ARG 27 9.624 -9.685 -4.639 177 HG3 ARG 27 2HG ARG 27 10.195 -7.640 -6.184 178 HD3 ARG 27 2HD ARG 27 12.906 -8.224 -4.892 179 HE ARG 27 HE ARG 27 12.136 -6.928 -7.406 180 HH11 ARG 27 1HH1 ARG 27 14.775 -7.147 -4.994 181 HH12 ARG 27 2HH1 ARG 27 15.944 -6.448 -6.058 182 HH21 ARG 27 1HH2 ARG 27 13.639 -5.852 -8.666 183 HH22 ARG 27 2HH2 ARG 27 15.333 -5.845 -8.255 184 H ASP 28 H ASP 28 7.619 -9.172 -2.388 185 HA ASP 28 HA ASP 28 5.858 -9.573 -4.597 186 HB3 ASP 28 2HB ASP 28 4.342 -9.636 -2.125 187 H LEU 29 H LEU 29 5.957 -7.024 -2.203 188 HA LEU 29 HA LEU 29 3.321 -6.028 -2.531 189 HB3 LEU 29 2HB LEU 29 4.149 -3.934 -1.576 190 HG LEU 29 HG LEU 29 5.070 -4.491 0.547 191 HD11 LEU 29 1HD1 LEU 29 2.680 -4.920 0.203 192 HD12 LEU 29 2HD1 LEU 29 3.374 -6.044 1.388 193 HD13 LEU 29 3HD1 LEU 29 3.053 -6.581 -0.279 194 HD21 LEU 29 3HD2 LEU 29 6.719 -6.213 -0.286 195 HD22 LEU 29 1HD2 LEU 29 5.402 -7.404 -0.237 196 HD23 LEU 29 2HD2 LEU 29 5.919 -6.576 1.239 197 H GLU 30 H GLU 30 6.372 -5.308 -4.226 198 HA GLU 30 HA GLU 30 5.148 -3.137 -5.794 199 HB3 GLU 30 2HB GLU 30 7.387 -2.698 -5.141 200 HG3 GLU 30 2HG GLU 30 8.140 -5.421 -6.300 201 H GLU 31 H GLU 31 6.154 -6.582 -6.176 202 HA GLU 31 HA GLU 31 5.739 -6.677 -9.006 203 HB3 GLU 31 2HB GLU 31 5.314 -9.171 -8.546 204 HG3 GLU 31 2HG GLU 31 7.549 -9.718 -7.832 205 H PHE 32 H PHE 32 3.491 -6.750 -6.328 206 HA PHE 32 HA PHE 32 1.205 -7.432 -7.927 207 HB3 PHE 32 2HB PHE 32 1.191 -5.616 -5.489 208 HD1 PHE 32 2HD PHE 32 -0.730 -8.135 -7.618 209 HD2 PHE 32 1HD PHE 32 -0.971 -4.807 -4.852 210 HE1 PHE 32 2HE PHE 32 -3.149 -8.138 -7.827 211 HE2 PHE 32 1HE PHE 32 -3.420 -4.848 -5.063 212 HZ PHE 32 HZ PHE 32 -4.527 -6.543 -6.502 213 H PHE 33 H PHE 33 2.185 -4.161 -6.779 214 HA PHE 33 HA PHE 33 0.228 -2.903 -8.427 215 HB3 PHE 33 2HB PHE 33 1.222 -0.814 -7.631 216 HD1 PHE 33 1HD PHE 33 -1.174 -2.019 -6.843 217 HD2 PHE 33 2HD PHE 33 2.534 -1.728 -4.631 218 HE1 PHE 33 1HE PHE 33 -2.415 -2.167 -4.703 219 HE2 PHE 33 2HE PHE 33 1.280 -1.928 -2.519 220 HZ PHE 33 HZ PHE 33 -1.158 -2.097 -2.540 221 H SER 34 H SER 34 3.553 -3.734 -9.136 222 HA SER 34 HA SER 34 4.276 -1.959 -11.115 223 HB3 SER 34 2HB SER 34 4.647 -4.979 -11.044 224 HG SER 34 HG SER 34 6.535 -4.604 -12.080 225 H THR 35 H THR 35 1.704 -4.392 -11.248 226 HA THR 35 HA THR 35 1.710 -4.531 -14.139 227 HB THR 35 HB THR 35 1.098 -6.288 -12.398 228 HG1 THR 35 1HG THR 35 -0.858 -6.186 -14.416 229 HG21 THR 35 3HG2 THR 35 -0.728 -4.844 -11.285 230 HG22 THR 35 1HG2 THR 35 -1.155 -6.524 -11.658 231 HG23 THR 35 2HG2 THR 35 -1.722 -5.221 -12.700 232 H VAL 36 H VAL 36 0.365 -2.224 -11.906 233 HA VAL 36 HA VAL 36 -1.200 -1.024 -14.122 234 HB VAL 36 HB VAL 36 -2.885 -0.292 -12.486 235 HG11 VAL 36 1HG1 VAL 36 -2.723 -3.317 -12.459 236 HG12 VAL 36 2HG1 VAL 36 -4.161 -2.297 -12.388 237 HG13 VAL 36 3HG1 VAL 36 -3.213 -2.375 -13.879 238 HG21 VAL 36 3HG2 VAL 36 -3.083 -1.342 -10.286 239 HG22 VAL 36 1HG2 VAL 36 -1.595 -2.271 -10.537 240 HG23 VAL 36 2HG2 VAL 36 -1.535 -0.502 -10.400 241 H GLY 37 H GLY 37 1.385 -0.554 -12.030 242 HA2 GLY 37 1HA GLY 37 1.623 2.238 -12.646 243 HA3 GLY 37 2HA GLY 37 1.108 1.943 -10.974 244 H LYS 38 H LYS 38 3.283 2.791 -10.233 245 HA LYS 38 HA LYS 38 5.013 0.517 -9.953 246 HB3 LYS 38 2HB LYS 38 6.028 1.620 -11.943 247 HG3 LYS 38 2HG LYS 38 6.624 3.830 -9.956 248 HD3 LYS 38 2HD LYS 38 8.406 3.269 -11.677 249 HE3 LYS 38 2HE LYS 38 6.583 3.168 -13.558 250 HZ1 LYS 38 3HZ LYS 38 7.039 6.096 -13.425 251 HZ2 LYS 38 1HZ LYS 38 5.656 5.373 -12.941 252 HZ3 LYS 38 2HZ LYS 38 6.070 5.305 -14.508 253 H VAL 39 H VAL 39 5.914 0.450 -8.027 254 HA VAL 39 HA VAL 39 5.272 2.338 -5.889 255 HB VAL 39 HB VAL 39 6.901 -0.230 -6.224 256 HG11 VAL 39 1HG1 VAL 39 8.085 0.987 -4.560 257 HG12 VAL 39 2HG1 VAL 39 6.591 1.345 -3.665 258 HG13 VAL 39 3HG1 VAL 39 7.174 -0.333 -3.809 259 HG21 VAL 39 3HG2 VAL 39 5.147 -1.133 -4.678 260 HG22 VAL 39 1HG2 VAL 39 4.311 0.430 -4.765 261 HG23 VAL 39 2HG2 VAL 39 4.505 -0.567 -6.222 262 H ARG 40 H ARG 40 6.838 3.940 -4.919 263 HA ARG 40 HA ARG 40 9.307 4.394 -6.360 264 HB3 ARG 40 2HB ARG 40 8.248 6.249 -5.903 265 HG3 ARG 40 2HG ARG 40 8.330 5.895 -2.942 266 HD3 ARG 40 2HD ARG 40 7.237 7.869 -4.913 267 HE ARG 40 HE ARG 40 7.307 7.935 -1.945 268 HH11 ARG 40 1HH1 ARG 40 6.718 9.872 -4.849 269 HH12 ARG 40 2HH1 ARG 40 5.982 11.173 -3.967 270 HH21 ARG 40 1HH2 ARG 40 5.900 9.409 -0.864 271 HH22 ARG 40 2HH2 ARG 40 5.231 10.729 -1.706 272 H ASP 41 H ASP 41 8.065 3.360 -3.076 273 HA ASP 41 HA ASP 41 10.552 1.807 -2.668 274 HB3 ASP 41 2HB ASP 41 9.797 3.550 -0.350 275 H VAL 42 H VAL 42 9.930 -0.189 -1.845 276 HA VAL 42 HA VAL 42 7.345 -0.542 -0.578 277 HB VAL 42 HB VAL 42 9.687 -2.426 -0.941 278 HG11 VAL 42 1HG1 VAL 42 6.929 -2.946 0.265 279 HG12 VAL 42 2HG1 VAL 42 8.066 -4.203 -0.212 280 HG13 VAL 42 3HG1 VAL 42 8.494 -3.114 1.082 281 HG21 VAL 42 3HG2 VAL 42 6.971 -2.157 -2.317 282 HG22 VAL 42 1HG2 VAL 42 8.581 -1.929 -3.045 283 HG23 VAL 42 2HG2 VAL 42 8.056 -3.530 -2.537 284 H ARG 43 H ARG 43 7.087 0.427 1.295 285 HA ARG 43 HA ARG 43 9.080 0.038 3.465 286 HB3 ARG 43 2HB ARG 43 6.765 1.966 3.060 287 HG3 ARG 43 2HG ARG 43 8.475 1.434 5.505 288 HD3 ARG 43 2HD ARG 43 7.643 4.090 4.283 289 HE ARG 43 HE ARG 43 7.543 3.584 7.037 290 HH11 ARG 43 1HH1 ARG 43 9.397 5.634 4.859 291 HH12 ARG 43 2HH1 ARG 43 9.123 7.122 5.666 292 HH21 ARG 43 1HH2 ARG 43 7.089 5.499 8.190 293 HH22 ARG 43 2HH2 ARG 43 7.762 7.025 7.688 294 H MET 44 H MET 44 8.593 -2.151 3.699 295 HA MET 44 HA MET 44 5.936 -2.937 4.784 296 HB3 MET 44 2HB MET 44 6.855 -4.580 3.300 297 HG3 MET 44 2HG MET 44 9.429 -3.866 4.438 298 HE1 MET 44 3HE MET 44 8.428 -7.320 3.048 299 HE2 MET 44 1HE MET 44 8.878 -8.454 4.345 300 HE3 MET 44 2HE MET 44 7.473 -7.386 4.542 301 H ILE 45 H ILE 45 5.791 -3.682 7.065 302 HA ILE 45 HA ILE 45 8.128 -2.976 8.719 303 HB ILE 45 HB ILE 45 5.336 -2.119 9.538 304 HG13 ILE 45 2HG1 ILE 45 7.164 -0.427 7.789 305 HG21 ILE 45 1HG2 ILE 45 6.753 -0.448 10.827 306 HG22 ILE 45 2HG2 ILE 45 7.126 -2.113 11.247 307 HG23 ILE 45 3HG2 ILE 45 8.196 -1.207 10.155 308 HD11 ILE 45 3HD1 ILE 45 4.123 -0.749 7.796 309 HD12 ILE 45 1HD1 ILE 45 5.121 0.250 6.696 310 HD13 ILE 45 2HD1 ILE 45 5.180 -1.502 6.602 311 H SER 46 H SER 46 7.901 -3.914 10.952 312 HA SER 46 HA SER 46 7.516 -5.634 12.375 313 HB3 SER 46 2HB SER 46 4.731 -5.638 11.199 314 HG SER 46 HG SER 46 4.713 -7.052 12.755 315 H ASP 47 H ASP 47 8.601 -6.231 9.902 316 HA ASP 47 HA ASP 47 7.977 -9.031 9.179 317 HB3 ASP 47 2HB ASP 47 10.246 -7.099 8.638 318 H ARG 48 H ARG 48 8.895 -7.843 12.098 319 HA ARG 48 HA ARG 48 10.642 -10.055 12.712 320 HB3 ARG 48 2HB ARG 48 12.317 -8.788 13.840 321 HG3 ARG 48 2HG ARG 48 12.544 -9.082 11.247 322 HD3 ARG 48 2HD ARG 48 11.329 -6.892 10.696 323 HE ARG 48 HE ARG 48 12.199 -5.463 12.440 324 HH11 ARG 48 1HH1 ARG 48 14.321 -5.815 9.589 325 HH12 ARG 48 2HH1 ARG 48 15.414 -4.587 10.087 326 HH21 ARG 48 1HH2 ARG 48 13.598 -3.707 13.037 327 HH22 ARG 48 2HH2 ARG 48 14.873 -3.283 11.962 328 H ASN 49 H ASN 49 10.782 -10.352 15.023 329 HA ASN 49 HA ASN 49 8.094 -10.416 15.847 330 HB3 ASN 49 2HB ASN 49 9.146 -11.386 18.025 331 HD21 ASN 49 1HD2 ASN 49 10.581 -12.424 14.851 332 HD22 ASN 49 2HD2 ASN 49 9.559 -13.839 14.736 333 H SER 50 H SER 50 10.583 -8.035 16.789 334 HA SER 50 HA SER 50 9.262 -7.309 19.222 335 HB3 SER 50 2HB SER 50 11.233 -5.616 17.660 336 HG SER 50 HG SER 50 10.724 -4.640 19.563 337 H ARG 51 H ARG 51 7.171 -7.279 17.297 338 HA ARG 51 HA ARG 51 6.104 -5.014 18.336 339 HB3 ARG 51 2HB ARG 51 5.868 -4.677 15.304 340 HG3 ARG 51 2HG ARG 51 5.317 -3.115 17.847 341 HD3 ARG 51 2HD ARG 51 5.496 -1.737 15.169 342 HE ARG 51 HE ARG 51 4.425 -1.034 17.623 343 HH11 ARG 51 1HH1 ARG 51 6.903 0.355 15.485 344 HH12 ARG 51 2HH1 ARG 51 6.597 1.996 16.029 345 HH21 ARG 51 1HH2 ARG 51 4.207 0.973 18.425 346 HH22 ARG 51 2HH2 ARG 51 4.960 2.376 17.706 347 H ARG 52 H ARG 52 5.612 -7.211 15.516 348 HA ARG 52 HA ARG 52 3.733 -8.236 14.724 349 HB3 ARG 52 2HB ARG 52 2.018 -9.060 16.342 350 HG3 ARG 52 2HG ARG 52 3.821 -10.604 15.816 351 HD3 ARG 52 2HD ARG 52 5.165 -9.275 18.150 352 HE ARG 52 HE ARG 52 5.096 -12.183 17.589 353 HH11 ARG 52 1HH1 ARG 52 6.989 -9.727 19.224 354 HH12 ARG 52 2HH1 ARG 52 7.234 -10.591 20.703 355 HH21 ARG 52 1HH2 ARG 52 5.283 -13.337 19.561 356 HH22 ARG 52 2HH2 ARG 52 6.446 -12.836 20.795 357 H SER 53 H SER 53 3.633 -5.694 14.117 358 HA SER 53 HA SER 53 1.151 -4.408 14.845 359 HB3 SER 53 2HB SER 53 1.623 -3.071 12.838 360 HG SER 53 HG SER 53 2.824 -2.324 14.457 361 H LYS 54 H LYS 54 0.939 -7.372 14.188 362 HA LYS 54 HA LYS 54 -0.427 -8.798 13.054 363 HB3 LYS 54 2HB LYS 54 -2.723 -7.823 12.531 364 HG3 LYS 54 2HG LYS 54 -1.308 -7.517 15.168 365 HD3 LYS 54 2HD LYS 54 -3.516 -7.453 16.266 366 HE3 LYS 54 2HE LYS 54 -3.335 -4.861 14.746 367 HZ1 LYS 54 3HZ LYS 54 -3.261 -5.472 17.650 368 HZ2 LYS 54 1HZ LYS 54 -4.642 -5.080 16.840 369 HZ3 LYS 54 2HZ LYS 54 -3.435 -3.987 16.991 370 H GLY 55 H GLY 55 1.286 -6.801 11.154 371 HA2 GLY 55 1HA GLY 55 2.012 -7.613 8.999 372 HA3 GLY 55 2HA GLY 55 0.394 -8.211 8.671 373 H ILE 56 H ILE 56 2.521 -5.591 8.250 374 HA ILE 56 HA ILE 56 0.440 -3.910 7.060 375 HB ILE 56 HB ILE 56 1.561 -1.904 8.205 376 HG13 ILE 56 2HG1 ILE 56 3.481 -3.253 9.187 377 HG21 ILE 56 1HG2 ILE 56 -0.014 -3.693 10.117 378 HG22 ILE 56 2HG2 ILE 56 -0.070 -1.923 9.983 379 HG23 ILE 56 3HG2 ILE 56 -0.771 -2.955 8.723 380 HD11 ILE 56 3HD1 ILE 56 3.042 -0.936 9.931 381 HD12 ILE 56 1HD1 ILE 56 1.898 -1.544 11.145 382 HD13 ILE 56 2HD1 ILE 56 3.614 -1.961 11.257 383 H ALA 57 H ALA 57 1.168 -2.941 5.210 384 HA ALA 57 HA ALA 57 3.967 -2.150 5.043 385 HB1 ALA 57 1HB ALA 57 2.649 -3.745 2.815 386 HB2 ALA 57 2HB ALA 57 4.210 -2.911 2.715 387 HB3 ALA 57 3HB ALA 57 4.017 -4.290 3.819 388 H TYR 58 H TYR 58 4.096 -0.098 4.212 389 HA TYR 58 HA TYR 58 1.666 1.066 2.902 390 HB3 TYR 58 2HB TYR 58 2.295 3.235 3.850 391 HD1 TYR 58 1HD TYR 58 3.059 0.706 6.377 392 HD2 TYR 58 2HD TYR 58 0.290 3.554 4.915 393 HE1 TYR 58 1HE TYR 58 1.943 0.592 8.562 394 HE2 TYR 58 2HE TYR 58 -1.007 3.447 7.073 395 HH TYR 58 HH TYR 58 0.069 1.394 9.826 396 H VAL 59 H VAL 59 2.997 0.061 1.011 397 HA VAL 59 HA VAL 59 5.484 1.219 0.473 398 HB VAL 59 HB VAL 59 5.486 0.064 -1.456 399 HG11 VAL 59 1HG1 VAL 59 5.363 -1.293 0.693 400 HG12 VAL 59 2HG1 VAL 59 3.711 -1.731 0.199 401 HG13 VAL 59 3HG1 VAL 59 5.084 -2.142 -0.831 402 HG21 VAL 59 3HG2 VAL 59 2.499 -0.263 -1.452 403 HG22 VAL 59 1HG2 VAL 59 3.449 0.767 -2.552 404 HG23 VAL 59 2HG2 VAL 59 3.649 -0.992 -2.616 405 H GLU 60 H GLU 60 6.149 2.873 -0.783 406 HA GLU 60 HA GLU 60 4.215 5.090 -1.007 407 HB3 GLU 60 2HB GLU 60 6.228 6.282 -1.760 408 HG3 GLU 60 2HG GLU 60 6.461 5.003 0.934 409 H PHE 61 H PHE 61 3.639 5.980 -2.964 410 HA PHE 61 HA PHE 61 4.370 4.381 -5.390 411 HB3 PHE 61 2HB PHE 61 2.098 6.185 -5.791 412 HD1 PHE 61 2HD PHE 61 2.776 2.588 -4.963 413 HD2 PHE 61 1HD PHE 61 1.514 5.381 -8.011 414 HE1 PHE 61 2HE PHE 61 2.502 0.733 -6.558 415 HE2 PHE 61 1HE PHE 61 1.185 3.530 -9.565 416 HZ PHE 61 HZ PHE 61 1.692 1.169 -8.869 417 H VAL 62 H VAL 62 4.835 5.317 -7.342 418 HA VAL 62 HA VAL 62 6.330 7.777 -7.171 419 HB VAL 62 HB VAL 62 5.530 5.912 -9.431 420 HG11 VAL 62 1HG1 VAL 62 5.899 8.108 -10.483 421 HG12 VAL 62 2HG1 VAL 62 7.464 8.264 -9.631 422 HG13 VAL 62 3HG1 VAL 62 7.214 6.982 -10.847 423 HG21 VAL 62 3HG2 VAL 62 8.007 5.347 -9.287 424 HG22 VAL 62 1HG2 VAL 62 8.152 6.490 -7.982 425 HG23 VAL 62 2HG2 VAL 62 7.162 5.019 -7.779 426 H ASP 63 H ASP 63 3.042 6.866 -8.355 427 HA ASP 63 HA ASP 63 2.503 9.729 -9.047 428 HB3 ASP 63 2HB ASP 63 0.609 8.315 -10.420 429 H VAL 64 H VAL 64 0.612 10.641 -8.285 430 HA VAL 64 HA VAL 64 -0.644 9.307 -6.060 431 HB VAL 64 HB VAL 64 -0.327 11.730 -6.149 432 HG11 VAL 64 1HG1 VAL 64 -2.547 11.883 -8.227 433 HG12 VAL 64 2HG1 VAL 64 -1.645 13.219 -7.490 434 HG13 VAL 64 3HG1 VAL 64 -0.823 12.103 -8.583 435 HG21 VAL 64 3HG2 VAL 64 -2.515 12.360 -5.277 436 HG22 VAL 64 1HG2 VAL 64 -3.272 10.941 -6.006 437 HG23 VAL 64 2HG2 VAL 64 -2.081 10.739 -4.717 438 H SER 65 H SER 65 -1.525 9.601 -9.555 439 HA SER 65 HA SER 65 -4.303 9.344 -9.165 440 HB3 SER 65 2HB SER 65 -3.573 10.257 -11.194 441 HG SER 65 HG SER 65 -2.182 8.524 -12.483 442 H SER 66 H SER 66 -1.846 6.833 -9.164 443 HA SER 66 HA SER 66 -3.662 4.671 -9.656 444 HB3 SER 66 2HB SER 66 -1.751 3.305 -9.251 445 HG SER 66 HG SER 66 -1.369 4.542 -11.084 446 H VAL 67 H VAL 67 -3.253 6.646 -6.786 447 HA VAL 67 HA VAL 67 -3.319 4.697 -4.762 448 HB VAL 67 HB VAL 67 -4.065 7.619 -4.936 449 HG11 VAL 67 1HG1 VAL 67 -4.284 7.501 -2.360 450 HG12 VAL 67 2HG1 VAL 67 -5.678 7.096 -3.352 451 HG13 VAL 67 3HG1 VAL 67 -4.732 5.801 -2.634 452 HG21 VAL 67 3HG2 VAL 67 -2.145 7.799 -3.399 453 HG22 VAL 67 1HG2 VAL 67 -2.000 6.028 -3.338 454 HG23 VAL 67 2HG2 VAL 67 -1.686 6.906 -4.851 455 HA PRO 68 HA PRO 68 -8.060 4.655 -4.798 456 HB3 PRO 68 2HB PRO 68 -9.136 6.521 -5.509 457 HG3 PRO 68 2HG PRO 68 -8.116 7.978 -7.082 458 HD3 PRO 68 2HD PRO 68 -6.419 7.558 -5.497 459 H LEU 69 H LEU 69 -6.000 3.893 -7.472 460 HA LEU 69 HA LEU 69 -7.720 2.045 -8.812 461 HB3 LEU 69 2HB LEU 69 -4.726 1.685 -8.797 462 HG LEU 69 HG LEU 69 -6.760 1.993 -11.053 463 HD11 LEU 69 1HD1 LEU 69 -4.861 1.295 -12.494 464 HD12 LEU 69 2HD1 LEU 69 -3.795 1.282 -11.065 465 HD13 LEU 69 3HD1 LEU 69 -4.513 2.800 -11.628 466 HD21 LEU 69 3HD2 LEU 69 -6.277 -0.400 -11.525 467 HD22 LEU 69 1HD2 LEU 69 -7.147 -0.156 -10.009 468 HD23 LEU 69 2HD2 LEU 69 -5.403 -0.519 -9.971 469 H ALA 70 H ALA 70 -5.200 1.683 -6.263 470 HA ALA 70 HA ALA 70 -5.362 -1.135 -5.974 471 HB1 ALA 70 1HB ALA 70 -4.416 -0.699 -3.679 472 HB2 ALA 70 2HB ALA 70 -3.516 0.053 -4.992 473 HB3 ALA 70 3HB ALA 70 -4.614 1.036 -3.975 474 H ILE 71 H ILE 71 -7.419 1.420 -4.666 475 HA ILE 71 HA ILE 71 -8.766 -0.055 -2.640 476 HB ILE 71 HB ILE 71 -9.633 2.267 -4.401 477 HG13 ILE 71 2HG1 ILE 71 -7.718 2.695 -2.923 478 HG21 ILE 71 1HG2 ILE 71 -11.676 1.200 -3.746 479 HG22 ILE 71 2HG2 ILE 71 -11.128 1.071 -2.076 480 HG23 ILE 71 3HG2 ILE 71 -11.487 2.656 -2.779 481 HD11 ILE 71 3HD1 ILE 71 -10.102 3.982 -1.579 482 HD12 ILE 71 1HD1 ILE 71 -8.461 4.624 -1.781 483 HD13 ILE 71 2HD1 ILE 71 -9.541 4.492 -3.185 484 H GLY 72 H GLY 72 -9.270 0.152 -6.175 485 HA2 GLY 72 1HA GLY 72 -11.672 -1.353 -6.309 486 HA3 GLY 72 2HA GLY 72 -10.498 -1.130 -7.599 487 H LEU 73 H LEU 73 -8.428 -2.376 -5.518 488 HA LEU 73 HA LEU 73 -8.838 -5.104 -6.586 489 HB3 LEU 73 2HB LEU 73 -6.503 -5.382 -6.458 490 HG LEU 73 HG LEU 73 -6.731 -2.481 -7.301 491 HD11 LEU 73 1HD1 LEU 73 -4.842 -2.975 -8.744 492 HD12 LEU 73 2HD1 LEU 73 -4.864 -4.675 -8.275 493 HD13 LEU 73 3HD1 LEU 73 -4.442 -3.419 -7.084 494 HD21 LEU 73 3HD2 LEU 73 -7.366 -4.936 -8.984 495 HD22 LEU 73 1HD2 LEU 73 -7.106 -3.309 -9.619 496 HD23 LEU 73 2HD2 LEU 73 -8.475 -3.645 -8.552 497 H THR 74 H THR 74 -9.795 -3.731 -3.808 498 HA THR 74 HA THR 74 -8.433 -4.881 -1.712 499 HB THR 74 HB THR 74 -10.092 -3.152 -1.447 500 HG1 THR 74 1HG THR 74 -9.531 -5.079 0.175 501 HG21 THR 74 3HG2 THR 74 -11.922 -4.033 -2.884 502 HG22 THR 74 1HG2 THR 74 -12.481 -3.685 -1.243 503 HG23 THR 74 2HG2 THR 74 -12.191 -5.359 -1.728 504 H GLY 75 H GLY 75 -10.583 -6.578 -3.896 505 HA2 GLY 75 1HA GLY 75 -10.558 -9.022 -2.165 506 HA3 GLY 75 2HA GLY 75 -11.825 -8.598 -3.316 507 H GLN 76 H GLN 76 -8.854 -7.765 -4.639 508 HA GLN 76 HA GLN 76 -8.456 -10.349 -6.055 509 HB3 GLN 76 2HB GLN 76 -6.497 -9.225 -7.030 510 HG3 GLN 76 2HG GLN 76 -8.775 -7.317 -7.538 511 HE21 GLN 76 1HE2 GLN 76 -6.152 -6.756 -8.150 512 HE22 GLN 76 2HE2 GLN 76 -5.809 -7.058 -9.822 513 H ARG 77 H ARG 77 -6.024 -11.057 -5.848 514 HA ARG 77 HA ARG 77 -4.639 -10.280 -3.461 515 HB3 ARG 77 2HB ARG 77 -5.840 -11.910 -2.278 516 HG3 ARG 77 2HG ARG 77 -5.775 -13.677 -4.730 517 HD3 ARG 77 2HD ARG 77 -7.412 -14.772 -2.728 518 HE ARG 77 HE ARG 77 -4.873 -15.725 -3.954 519 HH11 ARG 77 1HH1 ARG 77 -8.049 -16.577 -2.562 520 HH12 ARG 77 2HH1 ARG 77 -7.873 -18.266 -2.970 521 HH21 ARG 77 1HH2 ARG 77 -4.684 -17.924 -4.399 522 HH22 ARG 77 2HH2 ARG 77 -6.012 -19.010 -4.198 523 H VAL 78 H VAL 78 -2.495 -10.295 -3.949 524 HA VAL 78 HA VAL 78 -1.538 -11.792 -6.303 525 HB VAL 78 HB VAL 78 -0.526 -9.656 -6.005 526 HG11 VAL 78 1HG1 VAL 78 -0.878 -9.253 -3.602 527 HG12 VAL 78 2HG1 VAL 78 0.384 -10.464 -3.246 528 HG13 VAL 78 3HG1 VAL 78 0.813 -8.977 -4.063 529 HG21 VAL 78 3HG2 VAL 78 0.970 -11.483 -6.776 530 HG22 VAL 78 1HG2 VAL 78 1.839 -10.175 -5.952 531 HG23 VAL 78 2HG2 VAL 78 1.538 -11.694 -5.099 532 H LEU 79 H LEU 79 -1.256 -13.859 -6.028 533 HA LEU 79 HA LEU 79 -0.838 -15.953 -5.134 534 HB3 LEU 79 2HB LEU 79 1.306 -16.094 -3.911 535 HG LEU 79 HG LEU 79 1.356 -14.006 -6.139 536 HD11 LEU 79 1HD1 LEU 79 3.309 -13.723 -4.738 537 HD12 LEU 79 2HD1 LEU 79 3.782 -14.498 -6.248 538 HD13 LEU 79 3HD1 LEU 79 3.640 -15.462 -4.753 539 HD21 LEU 79 3HD2 LEU 79 2.203 -15.886 -7.507 540 HD22 LEU 79 1HD2 LEU 79 0.577 -16.198 -6.907 541 HD23 LEU 79 2HD2 LEU 79 1.960 -17.002 -6.135 542 H GLY 80 H GLY 80 -2.420 -14.000 -3.087 543 HA2 GLY 80 1HA GLY 80 -3.802 -15.530 -1.420 544 HA3 GLY 80 2HA GLY 80 -2.176 -15.890 -0.849 545 H VAL 81 H VAL 81 -1.814 -12.779 -1.763 546 HA VAL 81 HA VAL 81 -2.470 -11.590 0.831 547 HB VAL 81 HB VAL 81 -0.424 -10.869 -1.277 548 HG11 VAL 81 1HG1 VAL 81 0.375 -9.287 0.533 549 HG12 VAL 81 2HG1 VAL 81 -1.130 -8.830 -0.256 550 HG13 VAL 81 3HG1 VAL 81 -1.200 -9.561 1.340 551 HG21 VAL 81 3HG2 VAL 81 0.162 -12.884 0.012 552 HG22 VAL 81 1HG2 VAL 81 1.189 -11.528 0.434 553 HG23 VAL 81 2HG2 VAL 81 -0.160 -11.972 1.508 554 HA PRO 82 HA PRO 82 -5.485 -9.280 -1.779 555 HB3 PRO 82 2HB PRO 82 -7.277 -10.508 -0.863 556 HG3 PRO 82 2HG PRO 82 -7.113 -11.413 1.356 557 HD3 PRO 82 2HD PRO 82 -5.288 -12.303 0.170 558 H ILE 83 H ILE 83 -6.710 -7.104 -0.704 559 HA ILE 83 HA ILE 83 -4.738 -5.725 0.981 560 HB ILE 83 HB ILE 83 -3.945 -5.351 -1.276 561 HG13 ILE 83 2HG1 ILE 83 -3.890 -3.560 0.560 562 HG21 ILE 83 1HG2 ILE 83 -6.272 -5.498 -2.407 563 HG22 ILE 83 2HG2 ILE 83 -6.414 -3.777 -2.046 564 HG23 ILE 83 3HG2 ILE 83 -5.075 -4.368 -3.053 565 HD11 ILE 83 3HD1 ILE 83 -2.416 -3.425 -1.354 566 HD12 ILE 83 1HD1 ILE 83 -3.676 -2.609 -2.314 567 HD13 ILE 83 2HD1 ILE 83 -2.989 -1.819 -0.881 568 H ILE 84 H ILE 84 -5.684 -3.406 1.515 569 HA ILE 84 HA ILE 84 -8.590 -3.729 2.027 570 HB ILE 84 HB ILE 84 -6.531 -2.372 3.814 571 HG13 ILE 84 2HG1 ILE 84 -6.899 -4.170 5.416 572 HG21 ILE 84 1HG2 ILE 84 -8.767 -1.348 4.118 573 HG22 ILE 84 2HG2 ILE 84 -9.498 -2.918 4.303 574 HG23 ILE 84 3HG2 ILE 84 -8.358 -2.327 5.516 575 HD11 ILE 84 3HD1 ILE 84 -7.938 -6.287 4.784 576 HD12 ILE 84 1HD1 ILE 84 -9.124 -5.003 4.791 577 HD13 ILE 84 2HD1 ILE 84 -8.488 -5.609 3.248 578 H VAL 85 H VAL 85 -9.782 -2.003 1.598 579 HA VAL 85 HA VAL 85 -9.093 0.025 -0.229 580 HB VAL 85 HB VAL 85 -11.264 -0.498 1.809 581 HG11 VAL 85 1HG1 VAL 85 -11.112 1.858 -0.083 582 HG12 VAL 85 2HG1 VAL 85 -12.645 1.237 0.555 583 HG13 VAL 85 3HG1 VAL 85 -11.373 1.821 1.656 584 HG21 VAL 85 3HG2 VAL 85 -11.238 -2.109 0.109 585 HG22 VAL 85 1HG2 VAL 85 -12.610 -1.061 -0.173 586 HG23 VAL 85 2HG2 VAL 85 -11.132 -0.921 -1.177 587 H GLN 86 H GLN 86 -8.313 -0.194 3.027 588 HA GLN 86 HA GLN 86 -8.653 2.206 4.191 589 HB3 GLN 86 2HB GLN 86 -6.131 1.393 5.209 590 HG3 GLN 86 2HG GLN 86 -7.778 -0.254 6.594 591 HE21 GLN 86 1HE2 GLN 86 -7.845 3.410 6.149 592 HE22 GLN 86 2HE2 GLN 86 -7.334 3.698 7.804 593 H ALA 87 H ALA 87 -6.184 1.605 1.822 594 HA ALA 87 HA ALA 87 -4.676 3.053 0.780 595 HB1 ALA 87 1HB ALA 87 -7.391 4.453 0.915 596 HB2 ALA 87 2HB ALA 87 -6.142 4.787 -0.274 597 HB3 ALA 87 3HB ALA 87 -6.903 3.183 -0.243 598 H SER 88 H SER 88 -3.081 3.772 2.267 599 HA SER 88 HA SER 88 -3.270 5.825 4.122 600 HB3 SER 88 2HB SER 88 -1.016 5.191 2.169 601 HG SER 88 HG SER 88 -1.116 6.787 4.512 602 H GLN 89 H GLN 89 -3.998 7.857 3.893 603 HA GLN 89 HA GLN 89 -3.690 9.541 1.514 604 HB3 GLN 89 2HB GLN 89 -6.147 10.123 1.898 605 HG3 GLN 89 2HG GLN 89 -5.414 7.518 0.701 606 HE21 GLN 89 1HE2 GLN 89 -7.871 7.839 2.735 607 HE22 GLN 89 2HE2 GLN 89 -9.220 7.341 1.769 608 H ALA 90 H ALA 90 -3.415 11.603 2.233 609 HA ALA 90 HA ALA 90 -3.013 13.371 3.467 610 HB1 ALA 90 1HB ALA 90 -5.468 13.287 3.769 611 HB2 ALA 90 2HB ALA 90 -5.238 12.386 5.284 612 HB3 ALA 90 3HB ALA 90 -4.636 14.045 5.136 613 H GLU 91 H GLU 91 -2.284 14.321 5.531 614 HA GLU 91 HA GLU 91 -0.310 12.565 6.796 615 HB3 GLU 91 2HB GLU 91 -0.461 15.499 7.418 616 HG3 GLU 91 2HG GLU 91 1.674 13.541 6.454 617 H LYS 92 H LYS 92 -2.514 11.580 7.521 618 HA LYS 92 HA LYS 92 -3.261 12.456 10.246 619 HB3 LYS 92 2HB LYS 92 -5.650 12.236 9.666 620 HG3 LYS 92 2HG LYS 92 -4.252 14.106 7.711 621 HD3 LYS 92 2HD LYS 92 -7.120 14.412 8.615 622 HE3 LYS 92 2HE LYS 92 -5.280 15.494 6.451 623 HZ1 LYS 92 3HZ LYS 92 -8.009 16.442 6.530 624 HZ2 LYS 92 1HZ LYS 92 -7.716 14.997 5.769 625 HZ3 LYS 92 2HZ LYS 92 -6.925 16.354 5.298 626 H ASN 93 H ASN 93 -4.107 10.600 11.439 627 HA ASN 93 HA ASN 93 -4.293 8.016 10.089 628 HB3 ASN 93 2HB ASN 93 -2.084 8.527 12.151 629 HD21 ASN 93 1HD2 ASN 93 -3.074 6.742 13.425 630 HD22 ASN 93 2HD2 ASN 93 -3.005 5.092 12.862 631 H ARG 94 H ARG 94 -6.294 7.434 10.982 632 HA ARG 94 HA ARG 94 -6.692 7.709 13.860 633 HB3 ARG 94 2HB ARG 94 -7.263 9.924 12.866 634 HG3 ARG 94 2HG ARG 94 -8.616 8.363 10.822 635 HD3 ARG 94 2HD ARG 94 -10.767 9.520 10.751 636 HE ARG 94 HE ARG 94 -10.112 7.545 12.646 637 HH11 ARG 94 1HH1 ARG 94 -12.806 9.752 12.043 638 HH12 ARG 94 2HH1 ARG 94 -13.836 9.024 13.261 639 HH21 ARG 94 1HH2 ARG 94 -11.493 6.394 13.873 640 HH22 ARG 94 2HH2 ARG 94 -13.144 6.842 14.153 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -16.576 23.834 -0.354 2 HA2 GLY 1 1HA GLY 1 -15.662 24.453 -2.543 3 HA3 GLY 1 2HA GLY 1 -14.385 24.033 -1.383 4 H HIS 2 H HIS 2 -15.383 23.526 -4.527 5 HA HIS 2 HA HIS 2 -14.444 20.709 -4.687 6 HB3 HIS 2 2HB HIS 2 -15.895 22.516 -6.653 7 HD1 HIS 2 1HD HIS 2 -14.612 18.827 -6.255 8 HD2 HIS 2 2HD HIS 2 -16.424 21.514 -8.982 9 HE1 HIS 2 1HE HIS 2 -14.760 17.620 -8.474 10 H MET 3 H MET 3 -12.673 20.233 -5.979 11 HA MET 3 HA MET 3 -11.367 21.971 -7.794 12 HB3 MET 3 2HB MET 3 -9.209 21.472 -6.036 13 HG3 MET 3 2HG MET 3 -10.795 24.043 -6.378 14 HE1 MET 3 3HE MET 3 -10.526 25.045 -4.119 15 HE2 MET 3 1HE MET 3 -9.758 23.589 -3.448 16 HE3 MET 3 2HE MET 3 -9.000 25.179 -3.207 17 H ASN 4 H ASN 4 -9.353 20.780 -8.621 18 HA ASN 4 HA ASN 4 -9.803 17.937 -8.910 19 HB3 ASN 4 2HB ASN 4 -7.375 19.693 -9.484 20 HD21 ASN 4 1HD2 ASN 4 -8.979 16.681 -10.788 21 HD22 ASN 4 2HD2 ASN 4 -7.462 15.771 -10.809 22 H LEU 5 H LEU 5 -9.069 16.310 -7.610 23 HA LEU 5 HA LEU 5 -8.250 15.221 -5.826 24 HB3 LEU 5 2HB LEU 5 -5.606 15.645 -5.701 25 HG LEU 5 HG LEU 5 -6.993 14.588 -8.184 26 HD11 LEU 5 1HD1 LEU 5 -4.061 14.449 -7.360 27 HD12 LEU 5 2HD1 LEU 5 -4.725 15.339 -8.749 28 HD13 LEU 5 3HD1 LEU 5 -4.793 13.569 -8.712 29 HD21 LEU 5 3HD2 LEU 5 -7.392 13.239 -6.114 30 HD22 LEU 5 1HD2 LEU 5 -5.652 13.171 -5.822 31 HD23 LEU 5 2HD2 LEU 5 -6.344 12.385 -7.238 32 H THR 6 H THR 6 -6.447 15.535 -3.821 33 HA THR 6 HA THR 6 -7.155 17.986 -2.327 34 HB THR 6 HB THR 6 -5.978 16.800 -0.472 35 HG1 THR 6 1HG THR 6 -5.667 14.481 -0.899 36 HG21 THR 6 3HG2 THR 6 -7.732 15.165 -0.034 37 HG22 THR 6 1HG2 THR 6 -8.157 15.092 -1.753 38 HG23 THR 6 2HG2 THR 6 -8.448 16.566 -0.827 39 HA PRO 7 HA PRO 7 -3.017 19.404 -3.482 40 HB3 PRO 7 2HB PRO 7 -3.228 21.287 -2.153 41 HG3 PRO 7 2HG PRO 7 -4.300 21.183 -0.025 42 HD3 PRO 7 2HD PRO 7 -5.845 20.246 -1.533 43 H GLU 8 H GLU 8 -3.561 17.136 -0.796 44 HA GLU 8 HA GLU 8 -0.800 16.625 -0.470 45 HB3 GLU 8 2HB GLU 8 -1.531 16.864 1.527 46 HG3 GLU 8 2HG GLU 8 -3.955 15.362 0.680 47 H GLU 9 H GLU 9 -3.532 14.815 -1.855 48 HA GLU 9 HA GLU 9 -2.448 12.255 -2.090 49 HB3 GLU 9 2HB GLU 9 -3.695 12.588 -4.498 50 HG3 GLU 9 2HG GLU 9 -5.898 12.611 -2.956 51 H ARG 10 H ARG 10 -1.844 15.095 -4.090 52 HA ARG 10 HA ARG 10 -0.312 13.786 -6.132 53 HB3 ARG 10 2HB ARG 10 0.503 16.111 -6.643 54 HG3 ARG 10 2HG ARG 10 -2.495 16.110 -6.068 55 HD3 ARG 10 2HD ARG 10 -0.601 17.883 -7.650 56 HE ARG 10 HE ARG 10 -3.582 18.035 -7.681 57 HH11 ARG 10 1HH1 ARG 10 -0.514 18.769 -9.318 58 HH12 ARG 10 2HH1 ARG 10 -1.252 18.975 -10.886 59 HH21 ARG 10 1HH2 ARG 10 -4.549 18.510 -9.741 60 HH22 ARG 10 2HH2 ARG 10 -3.554 19.295 -10.940 61 H ASP 11 H ASP 11 0.538 14.807 -2.925 62 HA ASP 11 HA ASP 11 3.436 14.843 -3.617 63 HB3 ASP 11 2HB ASP 11 2.334 15.857 -1.005 64 H ALA 12 H ALA 12 0.998 13.204 -1.871 65 HA ALA 12 HA ALA 12 2.683 11.575 -0.163 66 HB1 ALA 12 1HB ALA 12 -0.260 11.459 -0.985 67 HB2 ALA 12 2HB ALA 12 0.512 10.389 0.210 68 HB3 ALA 12 3HB ALA 12 0.408 12.149 0.503 69 H ARG 13 H ARG 13 0.445 10.642 -2.832 70 HA ARG 13 HA ARG 13 0.237 8.679 -3.908 71 HB3 ARG 13 2HB ARG 13 2.041 7.963 -5.371 72 HG3 ARG 13 2HG ARG 13 0.702 10.297 -5.641 73 HD3 ARG 13 2HD ARG 13 2.547 11.693 -4.695 74 HE ARG 13 HE ARG 13 4.296 10.043 -5.987 75 HH11 ARG 13 1HH1 ARG 13 3.719 13.540 -6.254 76 HH12 ARG 13 2HH1 ARG 13 5.221 13.826 -7.081 77 HH21 ARG 13 1HH2 ARG 13 6.414 10.546 -6.527 78 HH22 ARG 13 2HH2 ARG 13 6.850 12.109 -7.163 79 H THR 14 H THR 14 -0.125 7.692 -1.720 80 HA THR 14 HA THR 14 1.876 5.509 -1.351 81 HB THR 14 HB THR 14 0.516 6.788 0.985 82 HG1 THR 14 1HG THR 14 2.793 7.857 -0.282 83 HG21 THR 14 3HG2 THR 14 2.503 6.059 2.210 84 HG22 THR 14 1HG2 THR 14 3.264 5.509 0.700 85 HG23 THR 14 2HG2 THR 14 1.811 4.703 1.325 86 H VAL 15 H VAL 15 1.025 3.494 -0.512 87 HA VAL 15 HA VAL 15 -1.899 3.253 -0.358 88 HB VAL 15 HB VAL 15 -1.821 1.206 -1.687 89 HG11 VAL 15 1HG1 VAL 15 -0.846 3.575 -3.315 90 HG12 VAL 15 2HG1 VAL 15 -1.761 2.179 -3.906 91 HG13 VAL 15 3HG1 VAL 15 -2.516 3.298 -2.769 92 HG21 VAL 15 3HG2 VAL 15 0.659 0.739 -1.418 93 HG22 VAL 15 1HG2 VAL 15 0.062 0.576 -3.062 94 HG23 VAL 15 2HG2 VAL 15 0.979 2.027 -2.593 95 H PHE 16 H PHE 16 -2.261 0.784 0.546 96 HA PHE 16 HA PHE 16 -0.411 0.380 2.800 97 HB3 PHE 16 2HB PHE 16 -3.329 1.236 2.815 98 HD1 PHE 16 1HD PHE 16 -0.586 0.018 5.076 99 HD2 PHE 16 2HD PHE 16 -4.690 1.232 4.749 100 HE1 PHE 16 1HE PHE 16 -1.041 -0.984 7.269 101 HE2 PHE 16 2HE PHE 16 -5.154 0.234 6.974 102 HZ PHE 16 HZ PHE 16 -3.342 -0.922 8.226 103 H CYS 17 H CYS 17 -0.517 -1.790 3.497 104 HA CYS 17 HA CYS 17 -2.604 -3.583 2.320 105 HB3 CYS 17 2HB CYS 17 -0.969 -5.304 1.969 106 HG CYS 17 HG CYS 17 -0.044 -4.751 -0.225 107 H MET 18 H MET 18 -3.844 -3.877 4.105 108 HA MET 18 HA MET 18 -2.567 -4.449 6.681 109 HB3 MET 18 2HB MET 18 -5.534 -4.495 6.228 110 HG3 MET 18 2HG MET 18 -3.954 -3.175 8.463 111 HE1 MET 18 3HE MET 18 -6.491 -1.681 7.381 112 HE2 MET 18 1HE MET 18 -7.410 -1.451 8.879 113 HE3 MET 18 2HE MET 18 -5.648 -1.255 8.894 114 H GLN 19 H GLN 19 -3.133 -6.523 4.135 115 HA GLN 19 HA GLN 19 -4.180 -8.691 5.871 116 HB3 GLN 19 2HB GLN 19 -5.081 -8.578 3.018 117 HG3 GLN 19 2HG GLN 19 -6.452 -8.956 5.720 118 HE21 GLN 19 1HE2 GLN 19 -7.228 -8.188 2.434 119 HE22 GLN 19 2HE2 GLN 19 -8.763 -9.006 2.422 120 H LEU 20 H LEU 20 -1.374 -8.310 5.213 121 HA LEU 20 HA LEU 20 -0.663 -9.982 3.002 122 HB3 LEU 20 2HB LEU 20 1.653 -9.635 3.813 123 HG LEU 20 HG LEU 20 -0.023 -7.072 3.879 124 HD11 LEU 20 1HD1 LEU 20 2.087 -5.947 3.368 125 HD12 LEU 20 2HD1 LEU 20 2.961 -7.485 3.495 126 HD13 LEU 20 3HD1 LEU 20 2.169 -6.786 4.930 127 HD21 LEU 20 3HD2 LEU 20 0.689 -6.797 1.542 128 HD22 LEU 20 1HD2 LEU 20 -0.388 -8.157 1.775 129 HD23 LEU 20 2HD2 LEU 20 1.358 -8.437 1.563 130 H ALA 21 H ALA 21 0.561 -11.921 2.954 131 HA ALA 21 HA ALA 21 -0.410 -13.887 4.859 132 HB1 ALA 21 1HB ALA 21 -0.547 -14.454 2.525 133 HB2 ALA 21 2HB ALA 21 1.210 -14.175 2.300 134 HB3 ALA 21 3HB ALA 21 0.614 -15.517 3.286 135 H ALA 22 H ALA 22 1.039 -15.627 5.596 136 HA ALA 22 HA ALA 22 2.912 -14.726 7.398 137 HB1 ALA 22 1HB ALA 22 1.839 -16.872 7.702 138 HB2 ALA 22 2HB ALA 22 2.614 -17.536 6.248 139 HB3 ALA 22 3HB ALA 22 3.574 -17.123 7.673 140 H ARG 23 H ARG 23 3.599 -15.917 4.117 141 HA ARG 23 HA ARG 23 6.444 -15.049 4.493 142 HB3 ARG 23 2HB ARG 23 7.094 -16.739 2.819 143 HG3 ARG 23 2HG ARG 23 6.917 -17.099 5.478 144 HD3 ARG 23 2HD ARG 23 5.444 -19.483 4.291 145 HE ARG 23 HE ARG 23 6.764 -19.055 6.810 146 HH11 ARG 23 1HH1 ARG 23 3.843 -20.594 5.464 147 HH12 ARG 23 2HH1 ARG 23 3.571 -21.584 6.849 148 HH21 ARG 23 1HH2 ARG 23 6.576 -20.478 8.477 149 HH22 ARG 23 2HH2 ARG 23 5.317 -21.686 8.564 150 H ILE 24 H ILE 24 4.640 -13.118 3.848 151 HA ILE 24 HA ILE 24 4.776 -12.535 1.028 152 HB ILE 24 HB ILE 24 3.303 -11.440 2.801 153 HG13 ILE 24 2HG1 ILE 24 4.906 -9.748 0.852 154 HG21 ILE 24 1HG2 ILE 24 4.161 -9.613 4.133 155 HG22 ILE 24 2HG2 ILE 24 5.047 -11.107 4.513 156 HG23 ILE 24 3HG2 ILE 24 5.802 -9.859 3.495 157 HD11 ILE 24 3HD1 ILE 24 3.253 -11.349 -0.118 158 HD12 ILE 24 1HD1 ILE 24 2.019 -10.715 1.004 159 HD13 ILE 24 2HD1 ILE 24 2.683 -9.670 -0.283 160 H ARG 25 H ARG 25 6.325 -11.179 0.012 161 HA ARG 25 HA ARG 25 9.011 -10.802 1.303 162 HB3 ARG 25 2HB ARG 25 9.625 -10.534 -1.264 163 HG3 ARG 25 2HG ARG 25 8.978 -13.239 -0.044 164 HD3 ARG 25 2HD ARG 25 10.507 -12.477 -2.578 165 HE ARG 25 HE ARG 25 11.755 -14.269 -2.055 166 HH11 ARG 25 1HH1 ARG 25 8.358 -15.078 -1.183 167 HH12 ARG 25 2HH1 ARG 25 8.685 -16.764 -1.015 168 HH21 ARG 25 1HH2 ARG 25 12.084 -16.532 -1.847 169 HH22 ARG 25 2HH2 ARG 25 10.812 -17.566 -1.304 170 HA PRO 26 HA PRO 26 8.108 -6.454 0.610 171 HB3 PRO 26 2HB PRO 26 10.120 -5.915 1.596 172 HG3 PRO 26 2HG PRO 26 12.099 -7.185 1.156 173 HD3 PRO 26 2HD PRO 26 10.459 -8.708 1.950 174 H ARG 27 H ARG 27 9.588 -8.473 -1.941 175 HA ARG 27 HA ARG 27 8.966 -6.686 -4.119 176 HB3 ARG 27 2HB ARG 27 10.804 -8.478 -3.861 177 HG3 ARG 27 2HG ARG 27 8.495 -9.569 -5.270 178 HD3 ARG 27 2HD ARG 27 10.629 -9.833 -6.527 179 HE ARG 27 HE ARG 27 11.685 -10.940 -4.150 180 HH11 ARG 27 1HH1 ARG 27 11.490 -11.622 -7.641 181 HH12 ARG 27 2HH1 ARG 27 12.748 -12.789 -7.674 182 HH21 ARG 27 1HH2 ARG 27 13.617 -12.261 -4.264 183 HH22 ARG 27 2HH2 ARG 27 14.043 -13.034 -5.752 184 H ASP 28 H ASP 28 6.991 -9.010 -2.324 185 HA ASP 28 HA ASP 28 5.334 -9.742 -4.539 186 HB3 ASP 28 2HB ASP 28 3.584 -10.163 -2.651 187 H LEU 29 H LEU 29 5.423 -6.872 -2.567 188 HA LEU 29 HA LEU 29 2.701 -6.001 -3.166 189 HB3 LEU 29 2HB LEU 29 3.194 -4.008 -2.034 190 HG LEU 29 HG LEU 29 3.790 -4.466 0.135 191 HD11 LEU 29 1HD1 LEU 29 2.904 -7.181 -0.914 192 HD12 LEU 29 2HD1 LEU 29 1.846 -5.809 -0.504 193 HD13 LEU 29 3HD1 LEU 29 2.816 -6.601 0.754 194 HD21 LEU 29 3HD2 LEU 29 5.224 -6.208 0.957 195 HD22 LEU 29 1HD2 LEU 29 6.078 -5.291 -0.276 196 HD23 LEU 29 2HD2 LEU 29 5.422 -6.898 -0.651 197 H GLU 30 H GLU 30 6.042 -5.016 -4.122 198 HA GLU 30 HA GLU 30 5.051 -2.964 -5.862 199 HB3 GLU 30 2HB GLU 30 7.211 -2.644 -4.857 200 HG3 GLU 30 2HG GLU 30 8.031 -5.224 -6.259 201 H GLU 31 H GLU 31 5.969 -6.378 -6.377 202 HA GLU 31 HA GLU 31 5.973 -6.249 -9.241 203 HB3 GLU 31 2HB GLU 31 5.507 -8.732 -9.042 204 HG3 GLU 31 2HG GLU 31 7.886 -7.940 -7.327 205 H PHE 32 H PHE 32 3.424 -7.099 -6.832 206 HA PHE 32 HA PHE 32 1.344 -7.692 -8.626 207 HB3 PHE 32 2HB PHE 32 1.184 -6.237 -5.959 208 HD1 PHE 32 2HD PHE 32 -0.678 -7.973 -8.741 209 HD2 PHE 32 1HD PHE 32 -0.967 -6.119 -4.843 210 HE1 PHE 32 2HE PHE 32 -3.038 -8.242 -8.818 211 HE2 PHE 32 1HE PHE 32 -3.423 -6.408 -4.915 212 HZ PHE 32 HZ PHE 32 -4.483 -7.535 -6.862 213 H PHE 33 H PHE 33 2.293 -4.485 -7.282 214 HA PHE 33 HA PHE 33 0.253 -3.254 -8.981 215 HB3 PHE 33 2HB PHE 33 0.943 -1.198 -8.074 216 HD1 PHE 33 2HD PHE 33 -1.287 -2.824 -7.392 217 HD2 PHE 33 1HD PHE 33 2.204 -2.029 -4.977 218 HE1 PHE 33 2HE PHE 33 -2.560 -3.386 -5.348 219 HE2 PHE 33 1HE PHE 33 0.948 -2.637 -2.952 220 HZ PHE 33 HZ PHE 33 -1.455 -3.317 -3.133 221 H SER 34 H SER 34 3.517 -4.257 -9.616 222 HA SER 34 HA SER 34 4.174 -2.254 -11.565 223 HB3 SER 34 2HB SER 34 5.097 -5.140 -11.720 224 HG SER 34 HG SER 34 6.591 -2.723 -11.872 225 H THR 35 H THR 35 1.767 -4.812 -11.601 226 HA THR 35 HA THR 35 2.021 -5.316 -14.434 227 HB THR 35 HB THR 35 0.138 -6.701 -14.251 228 HG1 THR 35 1HG THR 35 -1.463 -5.857 -13.232 229 HG21 THR 35 3HG2 THR 35 0.633 -8.167 -12.408 230 HG22 THR 35 1HG2 THR 35 1.356 -6.852 -11.473 231 HG23 THR 35 2HG2 THR 35 2.170 -7.437 -12.919 232 H VAL 36 H VAL 36 0.540 -2.828 -12.596 233 HA VAL 36 HA VAL 36 -0.925 -1.709 -14.927 234 HB VAL 36 HB VAL 36 -2.805 -1.277 -13.262 235 HG11 VAL 36 1HG1 VAL 36 -3.844 -3.416 -13.529 236 HG12 VAL 36 2HG1 VAL 36 -2.881 -3.092 -14.980 237 HG13 VAL 36 3HG1 VAL 36 -2.270 -4.198 -13.747 238 HG21 VAL 36 3HG2 VAL 36 -1.546 -1.668 -11.153 239 HG22 VAL 36 1HG2 VAL 36 -2.986 -2.686 -11.276 240 HG23 VAL 36 2HG2 VAL 36 -1.389 -3.398 -11.560 241 H GLY 37 H GLY 37 1.326 -1.081 -12.495 242 HA2 GLY 37 1HA GLY 37 0.932 1.825 -12.517 243 HA3 GLY 37 2HA GLY 37 0.644 0.945 -11.000 244 H LYS 38 H LYS 38 2.458 2.417 -10.334 245 HA LYS 38 HA LYS 38 5.139 1.252 -10.839 246 HB3 LYS 38 2HB LYS 38 4.442 4.227 -11.024 247 HG3 LYS 38 2HG LYS 38 6.759 2.594 -12.108 248 HD3 LYS 38 2HD LYS 38 6.231 5.583 -12.055 249 HE3 LYS 38 2HE LYS 38 8.642 4.685 -12.255 250 HZ1 LYS 38 3HZ LYS 38 7.644 3.949 -14.943 251 HZ2 LYS 38 1HZ LYS 38 8.133 2.867 -13.808 252 HZ3 LYS 38 2HZ LYS 38 9.214 3.919 -14.454 253 H VAL 39 H VAL 39 6.395 1.268 -9.082 254 HA VAL 39 HA VAL 39 5.537 2.632 -6.583 255 HB VAL 39 HB VAL 39 7.060 0.079 -7.184 256 HG11 VAL 39 1HG1 VAL 39 7.414 -0.233 -4.781 257 HG12 VAL 39 2HG1 VAL 39 8.339 1.153 -5.377 258 HG13 VAL 39 3HG1 VAL 39 6.850 1.419 -4.461 259 HG21 VAL 39 3HG2 VAL 39 4.605 -0.092 -7.081 260 HG22 VAL 39 1HG2 VAL 39 5.305 -0.850 -5.656 261 HG23 VAL 39 2HG2 VAL 39 4.575 0.760 -5.536 262 H ARG 40 H ARG 40 7.015 3.863 -5.458 263 HA ARG 40 HA ARG 40 9.472 4.674 -6.899 264 HB3 ARG 40 2HB ARG 40 8.016 6.233 -4.690 265 HG3 ARG 40 2HG ARG 40 10.327 6.999 -4.849 266 HD3 ARG 40 2HD ARG 40 10.826 8.092 -7.253 267 HE ARG 40 HE ARG 40 11.408 5.177 -6.926 268 HH11 ARG 40 1HH1 ARG 40 12.554 8.476 -6.271 269 HH12 ARG 40 2HH1 ARG 40 14.193 8.115 -6.678 270 HH21 ARG 40 1HH2 ARG 40 13.646 4.617 -7.019 271 HH22 ARG 40 2HH2 ARG 40 14.794 5.842 -6.552 272 H ASP 41 H ASP 41 8.087 4.085 -3.642 273 HA ASP 41 HA ASP 41 10.627 2.773 -2.843 274 HB3 ASP 41 2HB ASP 41 9.384 4.555 -0.788 275 H VAL 42 H VAL 42 10.373 1.637 -0.682 276 HA VAL 42 HA VAL 42 7.825 0.137 -0.600 277 HB VAL 42 HB VAL 42 9.493 -1.807 -0.654 278 HG11 VAL 42 1HG1 VAL 42 7.941 -1.278 -2.506 279 HG12 VAL 42 2HG1 VAL 42 9.177 -0.206 -3.216 280 HG13 VAL 42 3HG1 VAL 42 9.467 -1.956 -3.095 281 HG21 VAL 42 3HG2 VAL 42 11.614 -0.608 -0.406 282 HG22 VAL 42 1HG2 VAL 42 11.573 -1.587 -1.857 283 HG23 VAL 42 2HG2 VAL 42 11.373 0.180 -1.977 284 H ARG 43 H ARG 43 7.211 0.240 1.606 285 HA ARG 43 HA ARG 43 9.459 0.408 3.532 286 HB3 ARG 43 2HB ARG 43 7.256 2.506 3.256 287 HG3 ARG 43 2HG ARG 43 9.895 2.440 4.799 288 HD3 ARG 43 2HD ARG 43 8.137 4.682 3.908 289 HE ARG 43 HE ARG 43 9.319 4.823 6.632 290 HH11 ARG 43 1HH1 ARG 43 6.450 5.246 4.571 291 HH12 ARG 43 2HH1 ARG 43 5.390 5.627 5.893 292 HH21 ARG 43 1HH2 ARG 43 7.929 5.435 8.356 293 HH22 ARG 43 2HH2 ARG 43 6.251 5.788 8.040 294 H MET 44 H MET 44 8.818 -1.615 4.368 295 HA MET 44 HA MET 44 5.986 -1.981 5.188 296 HB3 MET 44 2HB MET 44 6.607 -4.306 5.613 297 HG3 MET 44 2HG MET 44 7.984 -3.586 3.018 298 HE1 MET 44 3HE MET 44 5.778 -7.593 3.751 299 HE2 MET 44 1HE MET 44 5.675 -6.277 4.938 300 HE3 MET 44 2HE MET 44 5.009 -6.061 3.299 301 H ILE 45 H ILE 45 5.396 -2.732 7.373 302 HA ILE 45 HA ILE 45 6.954 -1.512 9.384 303 HB ILE 45 HB ILE 45 4.445 -3.205 9.396 304 HG13 ILE 45 2HG1 ILE 45 3.098 -1.297 8.698 305 HG21 ILE 45 1HG2 ILE 45 3.881 -1.381 11.248 306 HG22 ILE 45 2HG2 ILE 45 4.884 -2.756 11.646 307 HG23 ILE 45 3HG2 ILE 45 5.615 -1.161 11.301 308 HD11 ILE 45 3HD1 ILE 45 4.172 0.431 9.914 309 HD12 ILE 45 1HD1 ILE 45 5.626 0.311 8.816 310 HD13 ILE 45 2HD1 ILE 45 4.056 0.835 8.186 311 H SER 46 H SER 46 6.669 -3.090 11.464 312 HA SER 46 HA SER 46 7.851 -4.442 12.698 313 HB3 SER 46 2HB SER 46 7.603 -6.564 10.529 314 HG SER 46 HG SER 46 8.883 -7.030 12.455 315 H ASP 47 H ASP 47 9.202 -3.231 10.134 316 HA ASP 47 HA ASP 47 11.520 -4.806 9.748 317 HB3 ASP 47 2HB ASP 47 11.346 -1.807 9.273 318 H ARG 48 H ARG 48 10.815 -2.465 12.173 319 HA ARG 48 HA ARG 48 13.556 -2.611 13.379 320 HB3 ARG 48 2HB ARG 48 12.698 -0.734 14.780 321 HG3 ARG 48 2HG ARG 48 12.395 1.030 13.114 322 HD3 ARG 48 2HD ARG 48 14.686 -0.557 11.983 323 HE ARG 48 HE ARG 48 15.183 1.673 11.563 324 HH11 ARG 48 1HH1 ARG 48 14.198 1.410 14.957 325 HH12 ARG 48 2HH1 ARG 48 14.419 3.092 15.309 326 HH21 ARG 48 1HH2 ARG 48 15.722 3.757 12.031 327 HH22 ARG 48 2HH2 ARG 48 15.426 4.480 13.590 328 H ASN 49 H ASN 49 10.864 -4.392 13.513 329 HA ASN 49 HA ASN 49 9.701 -5.597 15.094 330 HB3 ASN 49 2HB ASN 49 11.164 -7.172 16.112 331 HD21 ASN 49 1HD2 ASN 49 13.049 -5.780 13.539 332 HD22 ASN 49 2HD2 ASN 49 12.364 -6.621 12.192 333 H SER 50 H SER 50 9.183 -3.378 16.165 334 HA SER 50 HA SER 50 9.309 -4.111 19.045 335 HB3 SER 50 2HB SER 50 11.146 -2.784 19.025 336 HG SER 50 HG SER 50 11.253 -1.797 17.141 337 H ARG 51 H ARG 51 7.942 -1.708 16.802 338 HA ARG 51 HA ARG 51 5.328 -1.884 18.257 339 HB3 ARG 51 2HB ARG 51 6.782 0.595 17.271 340 HG3 ARG 51 2HG ARG 51 3.825 0.195 17.782 341 HD3 ARG 51 2HD ARG 51 5.563 2.578 18.349 342 HE ARG 51 HE ARG 51 4.254 3.642 16.781 343 HH11 ARG 51 1HH1 ARG 51 2.000 1.947 18.934 344 HH12 ARG 51 2HH1 ARG 51 0.778 3.164 18.844 345 HH21 ARG 51 1HH2 ARG 51 2.613 5.189 16.549 346 HH22 ARG 51 2HH2 ARG 51 1.132 5.101 17.418 347 H ARG 52 H ARG 52 4.117 -3.096 16.927 348 HA ARG 52 HA ARG 52 3.885 -2.415 14.144 349 HB3 ARG 52 2HB ARG 52 5.694 -3.790 13.837 350 HG3 ARG 52 2HG ARG 52 4.460 -6.248 14.760 351 HD3 ARG 52 2HD ARG 52 6.909 -5.439 16.231 352 HE ARG 52 HE ARG 52 7.003 -7.509 14.154 353 HH11 ARG 52 1HH1 ARG 52 6.508 -6.884 17.643 354 HH12 ARG 52 2HH1 ARG 52 6.681 -8.548 18.062 355 HH21 ARG 52 1HH2 ARG 52 7.326 -9.705 14.812 356 HH22 ARG 52 2HH2 ARG 52 7.385 -10.081 16.500 357 H SER 53 H SER 53 1.834 -3.198 13.206 358 HA SER 53 HA SER 53 -0.154 -3.942 15.203 359 HB3 SER 53 2HB SER 53 -1.723 -3.783 13.372 360 HG SER 53 HG SER 53 -1.312 -1.693 12.689 361 H LYS 54 H LYS 54 2.199 -5.875 14.212 362 HA LYS 54 HA LYS 54 2.588 -7.776 13.194 363 HB3 LYS 54 2HB LYS 54 2.376 -9.107 14.803 364 HG3 LYS 54 2HG LYS 54 0.705 -7.608 15.998 365 HD3 LYS 54 2HD LYS 54 -1.286 -8.561 14.490 366 HE3 LYS 54 2HE LYS 54 -1.153 -10.605 16.746 367 HZ1 LYS 54 3HZ LYS 54 -3.389 -10.016 15.751 368 HZ2 LYS 54 1HZ LYS 54 -2.963 -11.595 15.686 369 HZ3 LYS 54 2HZ LYS 54 -2.848 -10.661 14.333 370 H GLY 55 H GLY 55 2.069 -6.556 11.237 371 HA2 GLY 55 1HA GLY 55 1.945 -7.825 9.165 372 HA3 GLY 55 2HA GLY 55 0.280 -8.259 9.553 373 H ILE 56 H ILE 56 2.433 -5.458 8.826 374 HA ILE 56 HA ILE 56 0.306 -4.382 7.163 375 HB ILE 56 HB ILE 56 0.830 -2.022 8.143 376 HG13 ILE 56 2HG1 ILE 56 2.472 -2.847 9.878 377 HG21 ILE 56 1HG2 ILE 56 -1.399 -3.230 8.086 378 HG22 ILE 56 2HG2 ILE 56 -1.065 -3.824 9.722 379 HG23 ILE 56 3HG2 ILE 56 -1.234 -2.092 9.424 380 HD11 ILE 56 3HD1 ILE 56 0.204 -1.127 10.802 381 HD12 ILE 56 1HD1 ILE 56 1.746 -1.394 11.651 382 HD13 ILE 56 2HD1 ILE 56 1.758 -0.670 10.045 383 H ALA 57 H ALA 57 1.070 -2.928 5.518 384 HA ALA 57 HA ALA 57 3.866 -2.103 5.544 385 HB1 ALA 57 1HB ALA 57 2.675 -3.703 3.234 386 HB2 ALA 57 2HB ALA 57 4.221 -2.864 3.209 387 HB3 ALA 57 3HB ALA 57 3.993 -4.250 4.301 388 H TYR 58 H TYR 58 4.181 -0.276 4.105 389 HA TYR 58 HA TYR 58 1.828 0.688 2.586 390 HB3 TYR 58 2HB TYR 58 2.629 2.982 2.998 391 HD1 TYR 58 1HD TYR 58 3.302 1.262 6.198 392 HD2 TYR 58 2HD TYR 58 0.357 3.305 3.831 393 HE1 TYR 58 1HE TYR 58 1.768 1.224 8.117 394 HE2 TYR 58 2HE TYR 58 -1.179 3.362 5.774 395 HH TYR 58 HH TYR 58 -0.252 2.000 8.979 396 H VAL 59 H VAL 59 2.492 1.712 0.623 397 HA VAL 59 HA VAL 59 5.283 1.262 -0.232 398 HB VAL 59 HB VAL 59 2.869 0.395 -1.883 399 HG11 VAL 59 1HG1 VAL 59 5.858 0.034 -2.346 400 HG12 VAL 59 2HG1 VAL 59 4.549 -0.575 -3.386 401 HG13 VAL 59 3HG1 VAL 59 4.803 1.175 -3.208 402 HG21 VAL 59 3HG2 VAL 59 4.886 -1.336 -0.376 403 HG22 VAL 59 1HG2 VAL 59 3.128 -1.265 -0.101 404 HG23 VAL 59 2HG2 VAL 59 3.754 -1.917 -1.617 405 H GLU 60 H GLU 60 5.998 2.949 -1.481 406 HA GLU 60 HA GLU 60 4.187 5.280 -1.653 407 HB3 GLU 60 2HB GLU 60 7.212 5.109 -2.015 408 HG3 GLU 60 2HG GLU 60 5.201 7.362 -1.615 409 H PHE 61 H PHE 61 3.184 5.406 -3.551 410 HA PHE 61 HA PHE 61 4.064 3.927 -5.949 411 HB3 PHE 61 2HB PHE 61 1.970 5.326 -6.816 412 HD1 PHE 61 2HD PHE 61 2.875 2.438 -4.626 413 HD2 PHE 61 1HD PHE 61 -0.048 4.173 -7.283 414 HE1 PHE 61 2HE PHE 61 1.726 0.287 -4.741 415 HE2 PHE 61 1HE PHE 61 -1.207 1.953 -7.403 416 HZ PHE 61 HZ PHE 61 -0.364 0.052 -6.089 417 H VAL 62 H VAL 62 4.106 5.232 -8.003 418 HA VAL 62 HA VAL 62 5.414 7.859 -7.460 419 HB VAL 62 HB VAL 62 5.332 6.646 -10.225 420 HG11 VAL 62 1HG1 VAL 62 7.378 8.045 -10.369 421 HG12 VAL 62 2HG1 VAL 62 6.077 9.012 -9.670 422 HG13 VAL 62 3HG1 VAL 62 7.325 8.309 -8.597 423 HG21 VAL 62 3HG2 VAL 62 7.451 5.621 -9.951 424 HG22 VAL 62 1HG2 VAL 62 7.504 5.960 -8.252 425 HG23 VAL 62 2HG2 VAL 62 6.289 4.837 -8.866 426 H ASP 63 H ASP 63 2.588 6.366 -9.133 427 HA ASP 63 HA ASP 63 1.771 9.049 -10.069 428 HB3 ASP 63 2HB ASP 63 0.645 6.297 -10.503 429 H VAL 64 H VAL 64 0.249 10.131 -9.048 430 HA VAL 64 HA VAL 64 -1.160 9.286 -6.705 431 HB VAL 64 HB VAL 64 -0.592 11.608 -7.248 432 HG11 VAL 64 1HG1 VAL 64 -1.861 12.969 -8.809 433 HG12 VAL 64 2HG1 VAL 64 -1.055 11.665 -9.683 434 HG13 VAL 64 3HG1 VAL 64 -2.797 11.563 -9.348 435 HG21 VAL 64 3HG2 VAL 64 -2.419 11.057 -5.668 436 HG22 VAL 64 1HG2 VAL 64 -2.615 12.637 -6.467 437 HG23 VAL 64 2HG2 VAL 64 -3.599 11.253 -6.977 438 H SER 65 H SER 65 -1.976 9.011 -10.213 439 HA SER 65 HA SER 65 -4.785 8.468 -9.518 440 HB3 SER 65 2HB SER 65 -4.425 7.811 -12.202 441 HG SER 65 HG SER 65 -5.813 9.338 -12.361 442 H SER 66 H SER 66 -1.984 6.596 -9.385 443 HA SER 66 HA SER 66 -3.413 4.114 -10.093 444 HB3 SER 66 2HB SER 66 -1.226 3.078 -9.618 445 HG SER 66 HG SER 66 -1.375 5.311 -11.394 446 H VAL 67 H VAL 67 -3.060 6.125 -7.280 447 HA VAL 67 HA VAL 67 -3.148 4.161 -5.236 448 HB VAL 67 HB VAL 67 -4.232 6.999 -5.385 449 HG11 VAL 67 1HG1 VAL 67 -3.876 5.258 -2.914 450 HG12 VAL 67 2HG1 VAL 67 -4.325 6.982 -2.953 451 HG13 VAL 67 3HG1 VAL 67 -5.431 5.782 -3.610 452 HG21 VAL 67 3HG2 VAL 67 -2.242 7.560 -4.064 453 HG22 VAL 67 1HG2 VAL 67 -1.695 5.870 -4.125 454 HG23 VAL 67 2HG2 VAL 67 -1.776 6.849 -5.609 455 HA PRO 68 HA PRO 68 -7.921 4.061 -5.710 456 HB3 PRO 68 2HB PRO 68 -8.917 5.914 -6.589 457 HG3 PRO 68 2HG PRO 68 -7.765 7.318 -8.103 458 HD3 PRO 68 2HD PRO 68 -6.331 6.954 -6.248 459 H LEU 69 H LEU 69 -5.745 3.492 -8.397 460 HA LEU 69 HA LEU 69 -7.168 1.323 -9.638 461 HB3 LEU 69 2HB LEU 69 -4.148 1.490 -9.550 462 HG LEU 69 HG LEU 69 -6.000 1.189 -11.937 463 HD11 LEU 69 1HD1 LEU 69 -3.669 2.139 -12.217 464 HD12 LEU 69 2HD1 LEU 69 -3.941 0.644 -13.102 465 HD13 LEU 69 3HD1 LEU 69 -3.017 0.613 -11.583 466 HD21 LEU 69 3HD2 LEU 69 -4.595 -0.999 -10.335 467 HD22 LEU 69 1HD2 LEU 69 -5.231 -1.213 -11.983 468 HD23 LEU 69 2HD2 LEU 69 -6.340 -0.841 -10.657 469 H ALA 70 H ALA 70 -4.524 1.505 -7.156 470 HA ALA 70 HA ALA 70 -4.353 -1.272 -6.654 471 HB1 ALA 70 1HB ALA 70 -2.677 0.401 -5.928 472 HB2 ALA 70 2HB ALA 70 -3.831 1.040 -4.736 473 HB3 ALA 70 3HB ALA 70 -3.220 -0.618 -4.580 474 H ILE 71 H ILE 71 -6.495 1.213 -5.244 475 HA ILE 71 HA ILE 71 -7.718 -0.394 -3.234 476 HB ILE 71 HB ILE 71 -8.737 1.973 -4.854 477 HG13 ILE 71 2HG1 ILE 71 -6.787 2.294 -3.285 478 HG21 ILE 71 1HG2 ILE 71 -10.037 0.619 -2.476 479 HG22 ILE 71 2HG2 ILE 71 -10.537 2.192 -3.120 480 HG23 ILE 71 3HG2 ILE 71 -10.713 0.747 -4.101 481 HD11 ILE 71 3HD1 ILE 71 -8.574 4.124 -3.694 482 HD12 ILE 71 1HD1 ILE 71 -9.203 3.687 -2.092 483 HD13 ILE 71 2HD1 ILE 71 -7.557 4.299 -2.264 484 H GLY 72 H GLY 72 -8.481 0.009 -6.735 485 HA2 GLY 72 1HA GLY 72 -10.801 -1.575 -6.768 486 HA3 GLY 72 2HA GLY 72 -9.761 -1.221 -8.149 487 H LEU 73 H LEU 73 -7.624 -2.660 -6.151 488 HA LEU 73 HA LEU 73 -8.080 -5.343 -7.319 489 HB3 LEU 73 2HB LEU 73 -5.790 -5.777 -6.911 490 HG LEU 73 HG LEU 73 -5.730 -2.897 -7.838 491 HD11 LEU 73 1HD1 LEU 73 -3.565 -4.065 -7.390 492 HD12 LEU 73 2HD1 LEU 73 -3.762 -3.541 -9.068 493 HD13 LEU 73 3HD1 LEU 73 -3.978 -5.248 -8.641 494 HD21 LEU 73 3HD2 LEU 73 -5.949 -3.764 -10.163 495 HD22 LEU 73 1HD2 LEU 73 -7.434 -3.932 -9.230 496 HD23 LEU 73 2HD2 LEU 73 -6.416 -5.356 -9.513 497 H THR 74 H THR 74 -9.074 -3.881 -4.554 498 HA THR 74 HA THR 74 -8.232 -5.153 -2.338 499 HB THR 74 HB THR 74 -9.735 -3.356 -2.298 500 HG1 THR 74 1HG THR 74 -11.214 -5.367 -1.091 501 HG21 THR 74 3HG2 THR 74 -11.875 -5.222 -3.415 502 HG22 THR 74 1HG2 THR 74 -11.236 -3.747 -4.163 503 HG23 THR 74 2HG2 THR 74 -12.182 -3.648 -2.678 504 H GLY 75 H GLY 75 -10.511 -6.622 -4.621 505 HA2 GLY 75 1HA GLY 75 -10.989 -8.891 -2.841 506 HA3 GLY 75 2HA GLY 75 -11.769 -8.527 -4.378 507 H GLN 76 H GLN 76 -8.407 -8.344 -4.853 508 HA GLN 76 HA GLN 76 -8.299 -10.986 -6.173 509 HB3 GLN 76 2HB GLN 76 -6.084 -10.317 -6.868 510 HG3 GLN 76 2HG GLN 76 -7.346 -7.667 -7.277 511 HE21 GLN 76 1HE2 GLN 76 -5.642 -7.127 -8.750 512 HE22 GLN 76 2HE2 GLN 76 -5.428 -8.001 -10.254 513 H ARG 77 H ARG 77 -5.957 -12.086 -5.624 514 HA ARG 77 HA ARG 77 -5.219 -11.905 -2.842 515 HB3 ARG 77 2HB ARG 77 -6.978 -13.365 -2.339 516 HG3 ARG 77 2HG ARG 77 -6.375 -14.620 -5.011 517 HD3 ARG 77 2HD ARG 77 -5.914 -16.442 -3.450 518 HE ARG 77 HE ARG 77 -7.128 -16.429 -1.542 519 HH11 ARG 77 1HH1 ARG 77 -9.437 -15.664 -4.152 520 HH12 ARG 77 2HH1 ARG 77 -10.816 -16.026 -3.153 521 HH21 ARG 77 1HH2 ARG 77 -8.949 -16.821 -0.256 522 HH22 ARG 77 2HH2 ARG 77 -10.507 -16.381 -0.865 523 H VAL 78 H VAL 78 -3.295 -11.301 -3.856 524 HA VAL 78 HA VAL 78 -2.042 -12.665 -6.011 525 HB VAL 78 HB VAL 78 -0.809 -10.900 -3.843 526 HG11 VAL 78 1HG1 VAL 78 0.957 -12.124 -5.066 527 HG12 VAL 78 2HG1 VAL 78 0.233 -11.647 -6.622 528 HG13 VAL 78 3HG1 VAL 78 0.946 -10.427 -5.536 529 HG21 VAL 78 3HG2 VAL 78 -1.068 -9.143 -5.472 530 HG22 VAL 78 1HG2 VAL 78 -1.903 -10.238 -6.602 531 HG23 VAL 78 2HG2 VAL 78 -2.644 -9.774 -5.046 532 H LEU 79 H LEU 79 -1.765 -14.819 -5.791 533 HA LEU 79 HA LEU 79 -0.936 -16.826 -4.994 534 HB3 LEU 79 2HB LEU 79 1.325 -16.841 -4.108 535 HG LEU 79 HG LEU 79 0.927 -14.590 -6.158 536 HD11 LEU 79 1HD1 LEU 79 3.519 -15.711 -5.087 537 HD12 LEU 79 2HD1 LEU 79 2.919 -14.051 -5.020 538 HD13 LEU 79 3HD1 LEU 79 3.338 -14.749 -6.574 539 HD21 LEU 79 3HD2 LEU 79 1.699 -17.520 -6.388 540 HD22 LEU 79 1HD2 LEU 79 1.897 -16.327 -7.699 541 HD23 LEU 79 2HD2 LEU 79 0.289 -16.700 -7.067 542 H GLY 80 H GLY 80 -2.914 -15.335 -3.410 543 HA2 GLY 80 1HA GLY 80 -4.047 -16.440 -1.537 544 HA3 GLY 80 2HA GLY 80 -2.465 -16.653 -0.786 545 H VAL 81 H VAL 81 -2.101 -13.628 -1.952 546 HA VAL 81 HA VAL 81 -2.762 -12.413 0.605 547 HB VAL 81 HB VAL 81 -0.856 -11.558 -1.592 548 HG11 VAL 81 1HG1 VAL 81 -1.534 -9.592 -0.340 549 HG12 VAL 81 2HG1 VAL 81 -1.431 -10.470 1.181 550 HG13 VAL 81 3HG1 VAL 81 0.045 -10.078 0.241 551 HG21 VAL 81 3HG2 VAL 81 -0.338 -12.745 1.159 552 HG22 VAL 81 1HG2 VAL 81 -0.251 -13.699 -0.346 553 HG23 VAL 81 2HG2 VAL 81 0.872 -12.373 -0.093 554 HA PRO 82 HA PRO 82 -5.910 -9.956 -1.738 555 HB3 PRO 82 2HB PRO 82 -7.589 -11.267 -0.701 556 HG3 PRO 82 2HG PRO 82 -7.327 -12.051 1.564 557 HD3 PRO 82 2HD PRO 82 -5.686 -12.978 0.149 558 H ILE 83 H ILE 83 -6.999 -7.802 -0.712 559 HA ILE 83 HA ILE 83 -5.123 -6.487 1.114 560 HB ILE 83 HB ILE 83 -4.088 -6.266 -1.024 561 HG13 ILE 83 2HG1 ILE 83 -4.015 -4.394 0.600 562 HG21 ILE 83 1HG2 ILE 83 -4.927 -5.459 -3.014 563 HG22 ILE 83 2HG2 ILE 83 -6.305 -6.388 -2.440 564 HG23 ILE 83 3HG2 ILE 83 -6.272 -4.613 -2.253 565 HD11 ILE 83 3HD1 ILE 83 -3.879 -3.457 -2.294 566 HD12 ILE 83 1HD1 ILE 83 -3.141 -2.700 -0.878 567 HD13 ILE 83 2HD1 ILE 83 -2.587 -4.308 -1.399 568 H ILE 84 H ILE 84 -5.994 -4.197 1.595 569 HA ILE 84 HA ILE 84 -8.971 -4.233 1.783 570 HB ILE 84 HB ILE 84 -6.900 -2.998 3.665 571 HG13 ILE 84 2HG1 ILE 84 -7.631 -4.572 5.379 572 HG21 ILE 84 1HG2 ILE 84 -9.923 -3.154 3.988 573 HG22 ILE 84 2HG2 ILE 84 -8.769 -2.490 5.157 574 HG23 ILE 84 3HG2 ILE 84 -9.006 -1.702 3.594 575 HD11 ILE 84 3HD1 ILE 84 -8.674 -6.681 4.867 576 HD12 ILE 84 1HD1 ILE 84 -9.801 -5.379 4.449 577 HD13 ILE 84 2HD1 ILE 84 -8.899 -6.223 3.174 578 H VAL 85 H VAL 85 -9.963 -2.486 0.868 579 HA VAL 85 HA VAL 85 -8.957 -0.703 -0.961 580 HB VAL 85 HB VAL 85 -11.173 0.405 -0.628 581 HG11 VAL 85 1HG1 VAL 85 -11.037 -1.653 -1.914 582 HG12 VAL 85 2HG1 VAL 85 -11.426 -2.583 -0.438 583 HG13 VAL 85 3HG1 VAL 85 -12.599 -1.448 -1.113 584 HG21 VAL 85 3HG2 VAL 85 -11.300 0.303 1.880 585 HG22 VAL 85 1HG2 VAL 85 -12.735 -0.341 1.086 586 HG23 VAL 85 2HG2 VAL 85 -11.549 -1.456 1.767 587 H GLN 86 H GLN 86 -8.128 -0.337 2.217 588 HA GLN 86 HA GLN 86 -8.919 2.304 2.806 589 HB3 GLN 86 2HB GLN 86 -6.691 2.148 4.294 590 HG3 GLN 86 2HG GLN 86 -8.849 0.132 4.873 591 HE21 GLN 86 1HE2 GLN 86 -6.674 2.798 6.165 592 HE22 GLN 86 2HE2 GLN 86 -6.681 2.147 7.774 593 H ALA 87 H ALA 87 -5.990 1.408 0.991 594 HA ALA 87 HA ALA 87 -4.248 2.484 0.349 595 HB1 ALA 87 1HB ALA 87 -4.557 4.790 -0.578 596 HB2 ALA 87 2HB ALA 87 -5.802 3.636 -1.091 597 HB3 ALA 87 3HB ALA 87 -6.181 4.825 0.172 598 H SER 88 H SER 88 -3.252 4.795 0.773 599 HA SER 88 HA SER 88 -3.060 5.305 3.707 600 HB3 SER 88 2HB SER 88 -1.155 6.822 2.091 601 HG SER 88 HG SER 88 -0.654 6.564 4.145 602 H GLN 89 H GLN 89 -2.386 8.129 3.392 603 HA GLN 89 HA GLN 89 -3.339 10.030 3.460 604 HB3 GLN 89 2HB GLN 89 -4.092 10.918 1.575 605 HG3 GLN 89 2HG GLN 89 -1.722 9.714 1.493 606 HE21 GLN 89 1HE2 GLN 89 -3.728 7.621 0.158 607 HE22 GLN 89 2HE2 GLN 89 -2.664 7.079 -1.138 608 H ALA 90 H ALA 90 -4.756 8.592 5.049 609 HA ALA 90 HA ALA 90 -7.591 9.131 4.327 610 HB1 ALA 90 1HB ALA 90 -8.185 7.210 5.776 611 HB2 ALA 90 2HB ALA 90 -7.068 6.723 4.510 612 HB3 ALA 90 3HB ALA 90 -6.470 6.964 6.173 613 H GLU 91 H GLU 91 -8.642 8.782 6.917 614 HA GLU 91 HA GLU 91 -7.479 11.015 8.509 615 HB3 GLU 91 2HB GLU 91 -9.726 11.498 7.642 616 HG3 GLU 91 2HG GLU 91 -11.671 10.369 8.805 617 H LYS 92 H LYS 92 -6.787 8.029 8.420 618 HA LYS 92 HA LYS 92 -7.632 7.239 11.176 619 HB3 LYS 92 2HB LYS 92 -7.822 5.000 10.458 620 HG3 LYS 92 2HG LYS 92 -9.015 6.298 8.007 621 HD3 LYS 92 2HD LYS 92 -10.985 4.959 8.693 622 HE3 LYS 92 2HE LYS 92 -8.307 3.705 8.306 623 HZ1 LYS 92 3HZ LYS 92 -9.151 1.516 8.528 624 HZ2 LYS 92 1HZ LYS 92 -10.607 2.019 9.073 625 HZ3 LYS 92 2HZ LYS 92 -9.221 2.253 9.978 626 H ASN 93 H ASN 93 -6.278 5.983 12.347 627 HA ASN 93 HA ASN 93 -3.538 5.492 11.574 628 HB3 ASN 93 2HB ASN 93 -3.170 7.778 12.074 629 HD21 ASN 93 1HD2 ASN 93 -4.150 9.679 12.557 630 HD22 ASN 93 2HD2 ASN 93 -5.489 9.859 13.643 631 H ARG 94 H ARG 94 -6.172 4.682 13.405 632 HA ARG 94 HA ARG 94 -4.626 3.345 15.561 633 HB3 ARG 94 2HB ARG 94 -7.637 3.714 15.509 634 HG3 ARG 94 2HG ARG 94 -6.647 2.384 17.415 635 HD3 ARG 94 2HD ARG 94 -5.071 4.939 17.733 636 HE ARG 94 HE ARG 94 -6.521 3.863 19.900 637 HH11 ARG 94 1HH1 ARG 94 -3.230 4.940 19.122 638 HH12 ARG 94 2HH1 ARG 94 -2.848 5.452 20.738 639 HH21 ARG 94 1HH2 ARG 94 -6.034 4.566 22.074 640 HH22 ARG 94 2HH2 ARG 94 -4.479 5.187 22.444 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.534 19.376 -16.059 2 HA2 GLY 1 1HA GLY 1 -10.641 20.610 -14.119 3 HA3 GLY 1 2HA GLY 1 -11.380 19.361 -13.097 4 H HIS 2 H HIS 2 -10.305 17.382 -12.810 5 HA HIS 2 HA HIS 2 -8.553 16.067 -12.507 6 HB3 HIS 2 2HB HIS 2 -7.431 15.136 -14.365 7 HD1 HIS 2 1HD HIS 2 -9.729 16.589 -16.904 8 HD2 HIS 2 2HD HIS 2 -9.700 13.495 -14.042 9 HE1 HIS 2 1HE HIS 2 -11.657 15.066 -17.488 10 H MET 3 H MET 3 -8.201 18.886 -11.830 11 HA MET 3 HA MET 3 -5.302 19.145 -11.726 12 HB3 MET 3 2HB MET 3 -7.055 21.499 -12.487 13 HG3 MET 3 2HG MET 3 -4.110 21.037 -13.068 14 HE1 MET 3 3HE MET 3 -4.682 22.043 -15.550 15 HE2 MET 3 1HE MET 3 -6.385 22.382 -15.183 16 HE3 MET 3 2HE MET 3 -5.331 23.673 -15.805 17 H ASN 4 H ASN 4 -4.839 20.818 -10.009 18 HA ASN 4 HA ASN 4 -4.897 21.624 -7.972 19 HB3 ASN 4 2HB ASN 4 -7.912 21.627 -7.952 20 HD21 ASN 4 1HD2 ASN 4 -7.881 24.396 -7.228 21 HD22 ASN 4 2HD2 ASN 4 -7.356 24.474 -5.554 22 H LEU 5 H LEU 5 -4.100 20.325 -6.520 23 HA LEU 5 HA LEU 5 -5.540 17.885 -5.642 24 HB3 LEU 5 2HB LEU 5 -2.536 18.194 -6.060 25 HG LEU 5 HG LEU 5 -3.425 16.322 -4.516 26 HD11 LEU 5 1HD1 LEU 5 -4.357 15.250 -7.234 27 HD12 LEU 5 2HD1 LEU 5 -5.384 15.629 -5.842 28 HD13 LEU 5 3HD1 LEU 5 -4.259 14.286 -5.759 29 HD21 LEU 5 3HD2 LEU 5 -1.173 16.295 -5.528 30 HD22 LEU 5 1HD2 LEU 5 -1.836 15.550 -6.997 31 HD23 LEU 5 2HD2 LEU 5 -1.870 14.664 -5.450 32 H THR 6 H THR 6 -5.557 17.737 -3.349 33 HA THR 6 HA THR 6 -4.902 20.116 -1.951 34 HB THR 6 HB THR 6 -5.532 18.696 0.090 35 HG1 THR 6 1HG THR 6 -6.611 16.714 -0.605 36 HG21 THR 6 3HG2 THR 6 -7.154 20.069 -1.145 37 HG22 THR 6 1HG2 THR 6 -7.870 18.580 -0.535 38 HG23 THR 6 2HG2 THR 6 -7.457 18.713 -2.251 39 HA PRO 7 HA PRO 7 -0.831 19.293 -0.118 40 HB3 PRO 7 2HB PRO 7 -1.101 20.930 1.474 41 HG3 PRO 7 2HG PRO 7 -3.282 21.457 2.332 42 HD3 PRO 7 2HD PRO 7 -3.224 21.546 -0.076 43 H GLU 8 H GLU 8 -3.632 17.328 0.368 44 HA GLU 8 HA GLU 8 -2.265 15.423 2.180 45 HB3 GLU 8 2HB GLU 8 -4.703 14.926 2.793 46 HG3 GLU 8 2HG GLU 8 -3.407 17.620 3.293 47 H GLU 9 H GLU 9 -4.536 15.600 -0.722 48 HA GLU 9 HA GLU 9 -4.751 12.872 -1.127 49 HB3 GLU 9 2HB GLU 9 -4.763 13.698 -3.645 50 HG3 GLU 9 2HG GLU 9 -6.991 15.097 -2.407 51 H ARG 10 H ARG 10 -2.101 15.005 -1.995 52 HA ARG 10 HA ARG 10 -0.603 13.193 -3.612 53 HB3 ARG 10 2HB ARG 10 0.264 15.523 -1.830 54 HG3 ARG 10 2HG ARG 10 1.785 14.093 -4.049 55 HD3 ARG 10 2HD ARG 10 2.283 16.744 -2.661 56 HE ARG 10 HE ARG 10 4.458 15.412 -4.118 57 HH11 ARG 10 1HH1 ARG 10 3.157 16.285 -0.890 58 HH12 ARG 10 2HH1 ARG 10 4.675 16.054 -0.107 59 HH21 ARG 10 1HH2 ARG 10 6.334 14.668 -2.890 60 HH22 ARG 10 2HH2 ARG 10 6.392 14.926 -1.177 61 H ASP 11 H ASP 11 -1.044 13.273 -0.135 62 HA ASP 11 HA ASP 11 1.296 11.545 0.444 63 HB3 ASP 11 2HB ASP 11 -0.821 12.739 2.286 64 H ALA 12 H ALA 12 -2.248 11.703 0.616 65 HA ALA 12 HA ALA 12 -2.802 9.114 1.566 66 HB1 ALA 12 1HB ALA 12 -4.318 11.131 1.575 67 HB2 ALA 12 2HB ALA 12 -4.566 10.877 -0.175 68 HB3 ALA 12 3HB ALA 12 -5.081 9.652 0.988 69 H ARG 13 H ARG 13 -1.381 9.734 -1.325 70 HA ARG 13 HA ARG 13 -2.463 7.639 -3.024 71 HB3 ARG 13 2HB ARG 13 -0.232 7.713 -4.114 72 HG3 ARG 13 2HG ARG 13 -1.255 10.502 -3.520 73 HD3 ARG 13 2HD ARG 13 0.242 9.278 -5.846 74 HE ARG 13 HE ARG 13 -1.677 10.869 -6.430 75 HH11 ARG 13 1HH1 ARG 13 1.630 11.993 -5.737 76 HH12 ARG 13 2HH1 ARG 13 1.451 13.453 -6.666 77 HH21 ARG 13 1HH2 ARG 13 -1.791 12.673 -7.881 78 HH22 ARG 13 2HH2 ARG 13 -0.446 13.753 -7.984 79 H THR 14 H THR 14 -0.711 7.581 -0.029 80 HA THR 14 HA THR 14 0.838 5.217 -0.505 81 HB THR 14 HB THR 14 -0.167 6.448 2.103 82 HG1 THR 14 1HG THR 14 0.882 8.053 1.122 83 HG21 THR 14 3HG2 THR 14 2.306 4.771 1.489 84 HG22 THR 14 1HG2 THR 14 0.865 4.237 2.390 85 HG23 THR 14 2HG2 THR 14 1.905 5.511 3.060 86 H VAL 15 H VAL 15 0.187 3.076 -0.445 87 HA VAL 15 HA VAL 15 -2.630 2.509 0.358 88 HB VAL 15 HB VAL 15 -2.417 0.445 -1.002 89 HG11 VAL 15 1HG1 VAL 15 -3.571 2.460 -1.824 90 HG12 VAL 15 2HG1 VAL 15 -2.055 3.036 -2.554 91 HG13 VAL 15 3HG1 VAL 15 -2.828 1.548 -3.145 92 HG21 VAL 15 3HG2 VAL 15 0.093 1.728 -2.152 93 HG22 VAL 15 1HG2 VAL 15 0.033 0.244 -1.177 94 HG23 VAL 15 2HG2 VAL 15 -0.730 0.298 -2.785 95 H PHE 16 H PHE 16 -2.642 -0.029 1.232 96 HA PHE 16 HA PHE 16 -0.392 -0.342 3.065 97 HB3 PHE 16 2HB PHE 16 -3.205 0.171 4.035 98 HD1 PHE 16 1HD PHE 16 0.179 -1.184 4.957 99 HD2 PHE 16 2HD PHE 16 -3.664 0.108 6.420 100 HE1 PHE 16 1HE PHE 16 0.585 -2.371 7.035 101 HE2 PHE 16 2HE PHE 16 -3.266 -1.138 8.534 102 HZ PHE 16 HZ PHE 16 -1.143 -2.429 8.827 103 H CYS 17 H CYS 17 0.125 -2.231 2.447 104 HA CYS 17 HA CYS 17 -1.774 -4.425 1.904 105 HB3 CYS 17 2HB CYS 17 0.292 -5.609 1.283 106 HG CYS 17 HG CYS 17 -0.539 -4.647 -0.786 107 H MET 18 H MET 18 -2.664 -4.565 4.034 108 HA MET 18 HA MET 18 -0.863 -5.373 6.219 109 HB3 MET 18 2HB MET 18 -3.894 -5.027 6.220 110 HG3 MET 18 2HG MET 18 -1.838 -5.277 8.435 111 HE1 MET 18 3HE MET 18 -5.522 -4.133 7.667 112 HE2 MET 18 1HE MET 18 -5.683 -5.389 8.912 113 HE3 MET 18 2HE MET 18 -6.096 -3.700 9.297 114 H GLN 19 H GLN 19 -1.574 -7.172 3.718 115 HA GLN 19 HA GLN 19 -1.667 -9.569 5.404 116 HB3 GLN 19 2HB GLN 19 -3.078 -10.502 3.274 117 HG3 GLN 19 2HG GLN 19 -4.229 -9.259 5.808 118 HE21 GLN 19 1HE2 GLN 19 -5.447 -9.963 2.906 119 HE22 GLN 19 2HE2 GLN 19 -6.812 -10.963 3.353 120 H LEU 20 H LEU 20 0.495 -9.719 5.197 121 HA LEU 20 HA LEU 20 1.429 -10.377 2.437 122 HB3 LEU 20 2HB LEU 20 3.530 -9.672 2.930 123 HG LEU 20 HG LEU 20 1.896 -7.647 4.482 124 HD11 LEU 20 1HD1 LEU 20 4.308 -7.481 4.746 125 HD12 LEU 20 2HD1 LEU 20 3.634 -6.127 3.812 126 HD13 LEU 20 3HD1 LEU 20 4.510 -7.420 2.969 127 HD21 LEU 20 3HD2 LEU 20 2.290 -6.638 1.904 128 HD22 LEU 20 1HD2 LEU 20 0.785 -7.225 2.628 129 HD23 LEU 20 2HD2 LEU 20 1.747 -8.316 1.656 130 H ALA 21 H ALA 21 2.960 -12.074 2.211 131 HA ALA 21 HA ALA 21 2.708 -14.331 4.037 132 HB1 ALA 21 1HB ALA 21 4.563 -13.809 1.665 133 HB2 ALA 21 2HB ALA 21 4.500 -15.324 2.580 134 HB3 ALA 21 3HB ALA 21 3.085 -14.802 1.667 135 H ALA 22 H ALA 22 4.473 -15.223 5.151 136 HA ALA 22 HA ALA 22 6.190 -13.395 6.577 137 HB1 ALA 22 1HB ALA 22 5.104 -15.325 7.653 138 HB2 ALA 22 2HB ALA 22 5.902 -16.431 6.506 139 HB3 ALA 22 3HB ALA 22 6.858 -15.563 7.701 140 H ARG 23 H ARG 23 6.708 -14.417 3.489 141 HA ARG 23 HA ARG 23 9.553 -13.943 3.815 142 HB3 ARG 23 2HB ARG 23 8.806 -16.535 2.394 143 HG3 ARG 23 2HG ARG 23 11.291 -16.823 3.468 144 HD3 ARG 23 2HD ARG 23 11.212 -15.412 0.797 145 HE ARG 23 HE ARG 23 13.188 -16.817 2.084 146 HH11 ARG 23 1HH1 ARG 23 11.372 -17.495 -0.957 147 HH12 ARG 23 2HH1 ARG 23 12.645 -18.495 -1.579 148 HH21 ARG 23 1HH2 ARG 23 14.735 -18.240 1.250 149 HH22 ARG 23 2HH2 ARG 23 14.609 -18.879 -0.346 150 H ILE 24 H ILE 24 8.314 -12.105 2.901 151 HA ILE 24 HA ILE 24 7.714 -12.364 -0.013 152 HB ILE 24 HB ILE 24 5.825 -11.900 1.459 153 HG13 ILE 24 2HG1 ILE 24 6.291 -10.783 -0.926 154 HG21 ILE 24 1HG2 ILE 24 6.992 -10.647 3.282 155 HG22 ILE 24 2HG2 ILE 24 7.169 -9.262 2.174 156 HG23 ILE 24 3HG2 ILE 24 5.576 -9.800 2.679 157 HD11 ILE 24 3HD1 ILE 24 3.934 -9.876 0.751 158 HD12 ILE 24 1HD1 ILE 24 4.066 -9.975 -1.022 159 HD13 ILE 24 2HD1 ILE 24 4.068 -11.455 -0.071 160 H ARG 25 H ARG 25 8.709 -10.939 -1.478 161 HA ARG 25 HA ARG 25 10.885 -9.208 -0.377 162 HB3 ARG 25 2HB ARG 25 10.870 -8.496 -2.931 163 HG3 ARG 25 2HG ARG 25 12.146 -10.816 -1.559 164 HD3 ARG 25 2HD ARG 25 13.310 -11.346 -3.785 165 HE ARG 25 HE ARG 25 10.825 -12.440 -2.750 166 HH11 ARG 25 1HH1 ARG 25 13.070 -12.809 -5.473 167 HH12 ARG 25 2HH1 ARG 25 13.127 -14.544 -5.327 168 HH21 ARG 25 1HH2 ARG 25 10.580 -14.573 -2.843 169 HH22 ARG 25 2HH2 ARG 25 11.476 -15.640 -3.911 170 HA PRO 26 HA PRO 26 8.001 -5.815 -0.180 171 HB3 PRO 26 2HB PRO 26 9.604 -4.494 0.738 172 HG3 PRO 26 2HG PRO 26 11.899 -4.663 0.125 173 HD3 PRO 26 2HD PRO 26 11.208 -6.871 0.651 174 H ARG 27 H ARG 27 10.101 -6.201 -3.027 175 HA ARG 27 HA ARG 27 8.515 -4.708 -4.839 176 HB3 ARG 27 2HB ARG 27 10.478 -6.977 -5.378 177 HG3 ARG 27 2HG ARG 27 9.057 -5.031 -7.143 178 HD3 ARG 27 2HD ARG 27 11.287 -4.009 -7.009 179 HE ARG 27 HE ARG 27 12.847 -5.752 -6.734 180 HH11 ARG 27 1HH1 ARG 27 11.677 -5.478 -10.094 181 HH12 ARG 27 2HH1 ARG 27 12.721 -6.722 -10.687 182 HH21 ARG 27 1HH2 ARG 27 14.410 -7.169 -7.642 183 HH22 ARG 27 2HH2 ARG 27 14.292 -7.694 -9.301 184 H ASP 28 H ASP 28 7.860 -7.930 -3.461 185 HA ASP 28 HA ASP 28 6.401 -8.967 -5.705 186 HB3 ASP 28 2HB ASP 28 5.236 -10.381 -4.014 187 H LEU 29 H LEU 29 5.730 -6.598 -3.218 188 HA LEU 29 HA LEU 29 2.821 -6.620 -3.555 189 HB3 LEU 29 2HB LEU 29 2.878 -4.641 -2.103 190 HG LEU 29 HG LEU 29 3.442 -5.555 -0.067 191 HD11 LEU 29 1HD1 LEU 29 3.010 -7.979 -1.857 192 HD12 LEU 29 2HD1 LEU 29 1.753 -6.930 -1.151 193 HD13 LEU 29 3HD1 LEU 29 2.792 -7.937 -0.124 194 HD21 LEU 29 3HD2 LEU 29 5.050 -7.249 0.433 195 HD22 LEU 29 1HD2 LEU 29 5.844 -5.967 -0.473 196 HD23 LEU 29 2HD2 LEU 29 5.436 -7.512 -1.269 197 H GLU 30 H GLU 30 5.541 -4.450 -4.528 198 HA GLU 30 HA GLU 30 3.772 -2.603 -5.779 199 HB3 GLU 30 2HB GLU 30 6.181 -2.243 -4.905 200 HG3 GLU 30 2HG GLU 30 6.818 -2.854 -7.826 201 H GLU 31 H GLU 31 5.591 -5.437 -6.981 202 HA GLU 31 HA GLU 31 5.099 -5.012 -9.726 203 HB3 GLU 31 2HB GLU 31 5.441 -7.662 -9.662 204 HG3 GLU 31 2HG GLU 31 7.895 -7.262 -9.289 205 H PHE 32 H PHE 32 3.205 -6.674 -7.216 206 HA PHE 32 HA PHE 32 1.197 -7.845 -8.946 207 HB3 PHE 32 2HB PHE 32 1.048 -6.873 -6.083 208 HD1 PHE 32 2HD PHE 32 -0.662 -8.815 -8.834 209 HD2 PHE 32 1HD PHE 32 -1.012 -7.118 -4.868 210 HE1 PHE 32 2HE PHE 32 -3.034 -9.150 -8.913 211 HE2 PHE 32 1HE PHE 32 -3.438 -7.561 -4.909 212 HZ PHE 32 HZ PHE 32 -4.494 -8.570 -6.910 213 H PHE 33 H PHE 33 1.377 -4.611 -7.361 214 HA PHE 33 HA PHE 33 -1.119 -3.755 -8.538 215 HB3 PHE 33 2HB PHE 33 -0.396 -1.513 -7.864 216 HD1 PHE 33 1HD PHE 33 -2.140 -3.601 -6.595 217 HD2 PHE 33 2HD PHE 33 1.486 -1.710 -5.198 218 HE1 PHE 33 1HE PHE 33 -2.946 -3.769 -4.262 219 HE2 PHE 33 2HE PHE 33 0.679 -1.900 -2.868 220 HZ PHE 33 HZ PHE 33 -1.552 -2.849 -2.398 221 H SER 34 H SER 34 2.184 -3.773 -9.743 222 HA SER 34 HA SER 34 2.063 -1.746 -11.609 223 HB3 SER 34 2HB SER 34 3.656 -4.112 -12.451 224 HG SER 34 HG SER 34 4.649 -1.700 -11.420 225 H THR 35 H THR 35 0.300 -4.696 -11.811 226 HA THR 35 HA THR 35 0.186 -4.943 -14.675 227 HB THR 35 HB THR 35 -0.474 -6.758 -13.180 228 HG1 THR 35 1HG THR 35 -1.431 -6.508 -15.308 229 HG21 THR 35 3HG2 THR 35 -2.429 -6.811 -11.888 230 HG22 THR 35 1HG2 THR 35 -3.074 -5.306 -12.601 231 HG23 THR 35 2HG2 THR 35 -1.707 -5.237 -11.491 232 H VAL 36 H VAL 36 -1.146 -2.574 -12.531 233 HA VAL 36 HA VAL 36 -2.469 -1.271 -14.830 234 HB VAL 36 HB VAL 36 -4.424 -0.689 -13.274 235 HG11 VAL 36 1HG1 VAL 36 -5.717 -2.597 -13.857 236 HG12 VAL 36 2HG1 VAL 36 -4.602 -2.227 -15.174 237 HG13 VAL 36 3HG1 VAL 36 -4.260 -3.599 -14.106 238 HG21 VAL 36 3HG2 VAL 36 -3.482 -3.143 -11.706 239 HG22 VAL 36 1HG2 VAL 36 -3.405 -1.471 -11.133 240 HG23 VAL 36 2HG2 VAL 36 -4.971 -2.225 -11.470 241 H GLY 37 H GLY 37 0.146 -0.804 -13.284 242 HA2 GLY 37 1HA GLY 37 -0.127 1.979 -13.059 243 HA3 GLY 37 2HA GLY 37 -0.342 1.298 -11.434 244 H LYS 38 H LYS 38 1.450 2.575 -10.871 245 HA LYS 38 HA LYS 38 3.959 1.143 -10.975 246 HB3 LYS 38 2HB LYS 38 4.367 2.533 -12.873 247 HG3 LYS 38 2HG LYS 38 3.403 4.882 -11.199 248 HD3 LYS 38 2HD LYS 38 5.477 5.483 -12.440 249 HE3 LYS 38 2HE LYS 38 4.930 5.950 -14.963 250 HZ1 LYS 38 3HZ LYS 38 5.582 3.180 -14.151 251 HZ2 LYS 38 1HZ LYS 38 6.636 4.421 -14.409 252 HZ3 LYS 38 2HZ LYS 38 5.768 3.837 -15.657 253 H VAL 39 H VAL 39 5.181 1.578 -9.120 254 HA VAL 39 HA VAL 39 3.946 3.168 -6.948 255 HB VAL 39 HB VAL 39 5.667 0.690 -7.119 256 HG11 VAL 39 1HG1 VAL 39 5.823 0.558 -4.694 257 HG12 VAL 39 2HG1 VAL 39 6.719 1.936 -5.314 258 HG13 VAL 39 3HG1 VAL 39 5.129 2.182 -4.533 259 HG21 VAL 39 3HG2 VAL 39 3.824 -0.288 -5.816 260 HG22 VAL 39 1HG2 VAL 39 3.058 1.303 -5.714 261 HG23 VAL 39 2HG2 VAL 39 3.207 0.464 -7.269 262 H ARG 40 H ARG 40 5.268 4.483 -5.750 263 HA ARG 40 HA ARG 40 7.542 5.788 -7.133 264 HB3 ARG 40 2HB ARG 40 5.696 6.421 -4.862 265 HG3 ARG 40 2HG ARG 40 8.475 7.585 -5.197 266 HD3 ARG 40 2HD ARG 40 5.832 8.728 -4.240 267 HE ARG 40 HE ARG 40 7.149 9.132 -2.349 268 HH11 ARG 40 1HH1 ARG 40 8.851 10.451 -5.220 269 HH12 ARG 40 2HH1 ARG 40 9.737 11.596 -4.301 270 HH21 ARG 40 1HH2 ARG 40 8.483 10.399 -1.190 271 HH22 ARG 40 2HH2 ARG 40 9.626 11.497 -1.928 272 H ASP 41 H ASP 41 6.838 4.172 -3.952 273 HA ASP 41 HA ASP 41 9.438 2.931 -3.925 274 HB3 ASP 41 2HB ASP 41 8.932 5.097 -1.846 275 H VAL 42 H VAL 42 9.289 1.163 -2.733 276 HA VAL 42 HA VAL 42 7.024 0.380 -1.121 277 HB VAL 42 HB VAL 42 8.535 -1.570 -0.632 278 HG11 VAL 42 1HG1 VAL 42 8.210 -0.921 -3.604 279 HG12 VAL 42 2HG1 VAL 42 8.458 -2.534 -2.901 280 HG13 VAL 42 3HG1 VAL 42 6.979 -1.644 -2.550 281 HG21 VAL 42 3HG2 VAL 42 10.643 -1.876 -1.761 282 HG22 VAL 42 1HG2 VAL 42 10.461 -0.360 -2.682 283 HG23 VAL 42 2HG2 VAL 42 10.731 -0.337 -0.940 284 H ARG 43 H ARG 43 7.387 -0.339 1.147 285 HA ARG 43 HA ARG 43 9.289 0.956 2.858 286 HB3 ARG 43 2HB ARG 43 6.632 1.952 3.660 287 HG3 ARG 43 2HG ARG 43 8.960 2.844 4.343 288 HD3 ARG 43 2HD ARG 43 8.445 4.381 1.746 289 HE ARG 43 HE ARG 43 10.621 5.134 3.577 290 HH11 ARG 43 1HH1 ARG 43 7.641 6.215 2.013 291 HH12 ARG 43 2HH1 ARG 43 7.144 7.268 3.315 292 HH21 ARG 43 1HH2 ARG 43 10.344 6.970 4.931 293 HH22 ARG 43 2HH2 ARG 43 9.054 8.105 4.611 294 H MET 44 H MET 44 9.516 -0.852 4.255 295 HA MET 44 HA MET 44 6.994 -2.165 5.172 296 HB3 MET 44 2HB MET 44 8.314 -3.636 3.730 297 HG3 MET 44 2HG MET 44 10.450 -3.207 5.850 298 HE1 MET 44 3HE MET 44 10.784 -5.136 2.508 299 HE2 MET 44 1HE MET 44 10.533 -6.831 2.994 300 HE3 MET 44 2HE MET 44 9.173 -5.681 3.053 301 H ILE 45 H ILE 45 6.853 -2.798 7.304 302 HA ILE 45 HA ILE 45 8.089 -0.729 8.985 303 HB ILE 45 HB ILE 45 5.832 -2.597 9.799 304 HG13 ILE 45 2HG1 ILE 45 5.617 0.131 8.433 305 HG21 ILE 45 1HG2 ILE 45 5.353 -0.853 11.458 306 HG22 ILE 45 2HG2 ILE 45 7.031 -1.370 11.633 307 HG23 ILE 45 3HG2 ILE 45 6.662 0.161 10.821 308 HD11 ILE 45 3HD1 ILE 45 5.304 -1.392 6.686 309 HD12 ILE 45 1HD1 ILE 45 4.714 -2.668 7.787 310 HD13 ILE 45 2HD1 ILE 45 3.663 -1.345 7.332 311 H SER 46 H SER 46 10.182 -1.782 8.914 312 HA SER 46 HA SER 46 10.489 -4.205 10.529 313 HB3 SER 46 2HB SER 46 12.831 -4.114 9.752 314 HG SER 46 HG SER 46 12.365 -4.427 7.613 315 H ASP 47 H ASP 47 9.976 -1.301 11.580 316 HA ASP 47 HA ASP 47 12.178 -0.941 13.508 317 HB3 ASP 47 2HB ASP 47 9.475 0.450 13.414 318 H ARG 48 H ARG 48 9.951 -3.237 13.427 319 HA ARG 48 HA ARG 48 8.451 -4.324 14.727 320 HB3 ARG 48 2HB ARG 48 8.418 -4.245 17.157 321 HG3 ARG 48 2HG ARG 48 11.209 -4.729 16.037 322 HD3 ARG 48 2HD ARG 48 9.847 -5.080 18.690 323 HE ARG 48 HE ARG 48 11.712 -7.094 17.558 324 HH11 ARG 48 1HH1 ARG 48 10.121 -5.826 20.481 325 HH12 ARG 48 2HH1 ARG 48 10.199 -7.312 21.347 326 HH21 ARG 48 1HH2 ARG 48 11.745 -9.049 18.619 327 HH22 ARG 48 2HH2 ARG 48 11.121 -9.286 20.212 328 H ASN 49 H ASN 49 6.960 -3.112 16.945 329 HA ASN 49 HA ASN 49 5.486 -0.867 16.217 330 HB3 ASN 49 2HB ASN 49 4.970 -1.535 14.052 331 HD21 ASN 49 1HD2 ASN 49 5.940 -3.100 12.953 332 HD22 ASN 49 2HD2 ASN 49 5.468 -4.777 12.865 333 H SER 50 H SER 50 5.929 -3.590 18.094 334 HA SER 50 HA SER 50 4.947 -4.500 19.849 335 HB3 SER 50 2HB SER 50 3.132 -2.133 20.158 336 HG SER 50 HG SER 50 3.377 -3.386 22.001 337 H ARG 51 H ARG 51 3.353 -4.874 17.126 338 HA ARG 51 HA ARG 51 0.963 -6.025 18.472 339 HB3 ARG 51 2HB ARG 51 0.838 -4.585 15.811 340 HG3 ARG 51 2HG ARG 51 -1.390 -4.747 15.776 341 HD3 ARG 51 2HD ARG 51 -1.032 -7.176 16.180 342 HE ARG 51 HE ARG 51 -0.856 -8.023 18.254 343 HH11 ARG 51 1HH1 ARG 51 -2.749 -5.030 18.792 344 HH12 ARG 51 2HH1 ARG 51 -2.761 -5.229 20.508 345 HH21 ARG 51 1HH2 ARG 51 -0.969 -8.300 20.470 346 HH22 ARG 51 2HH2 ARG 51 -1.644 -7.094 21.491 347 H ARG 52 H ARG 52 2.600 -5.763 15.305 348 HA ARG 52 HA ARG 52 3.371 -7.164 13.831 349 HB3 ARG 52 2HB ARG 52 4.438 -9.283 14.528 350 HG3 ARG 52 2HG ARG 52 5.889 -8.340 16.378 351 HD3 ARG 52 2HD ARG 52 6.278 -6.086 14.743 352 HE ARG 52 HE ARG 52 7.604 -8.478 15.325 353 HH11 ARG 52 1HH1 ARG 52 7.705 -6.014 12.707 354 HH12 ARG 52 2HH1 ARG 52 9.452 -6.020 12.728 355 HH21 ARG 52 1HH2 ARG 52 9.743 -8.773 14.878 356 HH22 ARG 52 2HH2 ARG 52 10.643 -7.600 13.994 357 H SER 53 H SER 53 1.147 -6.872 13.193 358 HA SER 53 HA SER 53 -0.647 -8.984 12.759 359 HB3 SER 53 2HB SER 53 -1.208 -7.656 10.736 360 HG SER 53 HG SER 53 -1.171 -5.489 11.788 361 H LYS 54 H LYS 54 2.645 -9.260 12.165 362 HA LYS 54 HA LYS 54 3.973 -10.497 10.809 363 HB3 LYS 54 2HB LYS 54 3.018 -12.826 10.387 364 HG3 LYS 54 2HG LYS 54 3.053 -11.551 13.134 365 HD3 LYS 54 2HD LYS 54 3.441 -13.989 13.836 366 HE3 LYS 54 2HE LYS 54 1.020 -14.545 14.017 367 HZ1 LYS 54 3HZ LYS 54 1.576 -11.676 14.556 368 HZ2 LYS 54 1HZ LYS 54 1.803 -12.934 15.616 369 HZ3 LYS 54 2HZ LYS 54 0.310 -12.513 15.096 370 H GLY 55 H GLY 55 2.403 -8.496 9.287 371 HA2 GLY 55 1HA GLY 55 3.506 -9.016 6.800 372 HA3 GLY 55 2HA GLY 55 1.849 -9.660 6.729 373 H ILE 56 H ILE 56 3.819 -6.732 7.066 374 HA ILE 56 HA ILE 56 1.518 -5.108 6.305 375 HB ILE 56 HB ILE 56 2.346 -3.350 8.007 376 HG13 ILE 56 2HG1 ILE 56 4.337 -4.682 8.823 377 HG21 ILE 56 1HG2 ILE 56 0.756 -5.734 9.022 378 HG22 ILE 56 2HG2 ILE 56 0.648 -4.052 9.594 379 HG23 ILE 56 3HG2 ILE 56 0.133 -4.465 7.967 380 HD11 ILE 56 3HD1 ILE 56 3.289 -2.824 10.163 381 HD12 ILE 56 1HD1 ILE 56 2.349 -4.064 11.041 382 HD13 ILE 56 2HD1 ILE 56 4.111 -4.064 11.124 383 H ALA 57 H ALA 57 2.080 -3.664 4.784 384 HA ALA 57 HA ALA 57 4.664 -2.348 4.777 385 HB1 ALA 57 1HB ALA 57 5.047 -4.466 3.395 386 HB2 ALA 57 2HB ALA 57 3.816 -3.832 2.250 387 HB3 ALA 57 3HB ALA 57 5.313 -2.967 2.554 388 H TYR 58 H TYR 58 4.425 -0.292 3.656 389 HA TYR 58 HA TYR 58 1.783 0.341 2.388 390 HB3 TYR 58 2HB TYR 58 2.198 2.646 3.166 391 HD1 TYR 58 2HD TYR 58 3.584 0.600 5.938 392 HD2 TYR 58 1HD TYR 58 0.161 2.686 4.399 393 HE1 TYR 58 2HE TYR 58 2.409 0.265 8.102 394 HE2 TYR 58 1HE TYR 58 -0.992 2.436 6.575 395 HH TYR 58 HH TYR 58 -0.725 1.718 8.837 396 H VAL 59 H VAL 59 2.288 0.764 -0.023 397 HA VAL 59 HA VAL 59 4.977 1.754 -0.471 398 HB VAL 59 HB VAL 59 4.817 0.854 -2.462 399 HG11 VAL 59 1HG1 VAL 59 5.277 -1.035 -1.204 400 HG12 VAL 59 2HG1 VAL 59 3.606 -1.279 -0.676 401 HG13 VAL 59 3HG1 VAL 59 4.095 -1.594 -2.350 402 HG21 VAL 59 3HG2 VAL 59 2.690 1.554 -3.282 403 HG22 VAL 59 1HG2 VAL 59 3.085 -0.103 -3.715 404 HG23 VAL 59 2HG2 VAL 59 1.933 0.184 -2.404 405 H GLU 60 H GLU 60 5.249 3.668 -1.477 406 HA GLU 60 HA GLU 60 3.056 5.608 -1.444 407 HB3 GLU 60 2HB GLU 60 4.895 7.008 -2.636 408 HG3 GLU 60 2HG GLU 60 5.160 5.916 0.157 409 H PHE 61 H PHE 61 1.548 5.449 -3.133 410 HA PHE 61 HA PHE 61 2.441 4.344 -5.726 411 HB3 PHE 61 2HB PHE 61 -0.190 5.567 -5.817 412 HD1 PHE 61 1HD PHE 61 0.915 2.137 -4.861 413 HD2 PHE 61 2HD PHE 61 -0.492 4.684 -8.044 414 HE1 PHE 61 1HE PHE 61 0.795 0.179 -6.396 415 HE2 PHE 61 2HE PHE 61 -0.637 2.716 -9.539 416 HZ PHE 61 HZ PHE 61 0.058 0.483 -8.760 417 H VAL 62 H VAL 62 2.118 5.600 -7.771 418 HA VAL 62 HA VAL 62 3.179 8.304 -7.382 419 HB VAL 62 HB VAL 62 2.741 6.791 -9.971 420 HG11 VAL 62 1HG1 VAL 62 3.011 9.223 -10.239 421 HG12 VAL 62 2HG1 VAL 62 4.522 9.166 -9.315 422 HG13 VAL 62 3HG1 VAL 62 4.394 8.348 -10.893 423 HG21 VAL 62 3HG2 VAL 62 4.298 5.506 -8.567 424 HG22 VAL 62 1HG2 VAL 62 5.141 6.260 -9.916 425 HG23 VAL 62 2HG2 VAL 62 5.271 6.967 -8.299 426 H ASP 63 H ASP 63 0.055 6.801 -8.245 427 HA ASP 63 HA ASP 63 -0.991 9.546 -8.647 428 HB3 ASP 63 2HB ASP 63 -2.427 7.107 -9.722 429 H VAL 64 H VAL 64 -3.569 9.388 -8.094 430 HA VAL 64 HA VAL 64 -3.736 8.201 -5.382 431 HB VAL 64 HB VAL 64 -3.711 10.726 -5.666 432 HG11 VAL 64 1HG1 VAL 64 -6.565 10.411 -6.643 433 HG12 VAL 64 2HG1 VAL 64 -5.659 11.906 -6.366 434 HG13 VAL 64 3HG1 VAL 64 -5.200 10.828 -7.697 435 HG21 VAL 64 3HG2 VAL 64 -4.466 9.673 -3.612 436 HG22 VAL 64 1HG2 VAL 64 -5.438 11.102 -3.979 437 HG23 VAL 64 2HG2 VAL 64 -6.099 9.482 -4.277 438 H SER 65 H SER 65 -5.119 8.182 -8.696 439 HA SER 65 HA SER 65 -7.725 7.285 -7.752 440 HB3 SER 65 2HB SER 65 -7.342 8.438 -9.945 441 HG SER 65 HG SER 65 -6.383 5.878 -10.724 442 H SER 66 H SER 66 -4.656 5.811 -8.149 443 HA SER 66 HA SER 66 -5.366 3.130 -8.642 444 HB3 SER 66 2HB SER 66 -3.148 2.707 -8.002 445 HG SER 66 HG SER 66 -3.145 3.730 -9.891 446 H VAL 67 H VAL 67 -5.526 5.054 -5.653 447 HA VAL 67 HA VAL 67 -4.999 2.972 -3.810 448 HB VAL 67 HB VAL 67 -6.543 5.584 -3.526 449 HG11 VAL 67 1HG1 VAL 67 -7.259 4.151 -1.738 450 HG12 VAL 67 2HG1 VAL 67 -5.604 3.567 -1.443 451 HG13 VAL 67 3HG1 VAL 67 -6.043 5.243 -1.078 452 HG21 VAL 67 3HG2 VAL 67 -3.685 4.858 -2.741 453 HG22 VAL 67 1HG2 VAL 67 -4.139 5.843 -4.148 454 HG23 VAL 67 2HG2 VAL 67 -4.505 6.417 -2.532 455 HA PRO 68 HA PRO 68 -9.639 1.979 -3.757 456 HB3 PRO 68 2HB PRO 68 -11.057 3.716 -4.155 457 HG3 PRO 68 2HG PRO 68 -10.442 5.488 -5.626 458 HD3 PRO 68 2HD PRO 68 -8.677 5.232 -4.114 459 H LEU 69 H LEU 69 -7.584 2.037 -6.572 460 HA LEU 69 HA LEU 69 -8.814 -0.245 -7.885 461 HB3 LEU 69 2HB LEU 69 -5.893 -0.018 -8.174 462 HG LEU 69 HG LEU 69 -8.253 0.172 -10.089 463 HD11 LEU 69 1HD1 LEU 69 -5.268 0.126 -10.696 464 HD12 LEU 69 2HD1 LEU 69 -6.381 1.489 -10.932 465 HD13 LEU 69 3HD1 LEU 69 -6.582 0.017 -11.891 466 HD21 LEU 69 3HD2 LEU 69 -7.992 -2.085 -9.203 467 HD22 LEU 69 1HD2 LEU 69 -6.238 -2.050 -9.472 468 HD23 LEU 69 2HD2 LEU 69 -7.365 -2.071 -10.842 469 H ALA 70 H ALA 70 -6.150 0.239 -5.496 470 HA ALA 70 HA ALA 70 -5.520 -2.529 -5.189 471 HB1 ALA 70 1HB ALA 70 -5.234 -0.263 -3.157 472 HB2 ALA 70 2HB ALA 70 -4.420 -1.835 -3.096 473 HB3 ALA 70 3HB ALA 70 -4.047 -0.696 -4.406 474 H ILE 71 H ILE 71 -7.969 -0.499 -3.599 475 HA ILE 71 HA ILE 71 -8.946 -2.394 -1.703 476 HB ILE 71 HB ILE 71 -10.285 -0.133 -3.237 477 HG13 ILE 71 2HG1 ILE 71 -8.455 0.553 -1.741 478 HG21 ILE 71 1HG2 ILE 71 -12.113 -0.208 -1.600 479 HG22 ILE 71 2HG2 ILE 71 -12.057 -1.674 -2.561 480 HG23 ILE 71 3HG2 ILE 71 -11.443 -1.688 -0.908 481 HD11 ILE 71 3HD1 ILE 71 -11.005 1.236 -0.249 482 HD12 ILE 71 1HD1 ILE 71 -9.496 2.154 -0.360 483 HD13 ILE 71 2HD1 ILE 71 -10.545 2.017 -1.778 484 H GLY 72 H GLY 72 -9.570 -1.982 -5.198 485 HA2 GLY 72 1HA GLY 72 -11.660 -3.940 -5.349 486 HA3 GLY 72 2HA GLY 72 -10.775 -3.184 -6.687 487 H LEU 73 H LEU 73 -8.385 -4.481 -4.686 488 HA LEU 73 HA LEU 73 -8.397 -7.084 -6.161 489 HB3 LEU 73 2HB LEU 73 -5.971 -7.075 -5.835 490 HG LEU 73 HG LEU 73 -6.939 -4.491 -7.116 491 HD11 LEU 73 1HD1 LEU 73 -4.549 -4.373 -6.499 492 HD12 LEU 73 2HD1 LEU 73 -4.784 -4.446 -8.273 493 HD13 LEU 73 3HD1 LEU 73 -4.251 -5.877 -7.387 494 HD21 LEU 73 3HD2 LEU 73 -6.663 -5.695 -9.238 495 HD22 LEU 73 1HD2 LEU 73 -7.837 -6.528 -8.219 496 HD23 LEU 73 2HD2 LEU 73 -6.181 -7.160 -8.366 497 H THR 74 H THR 74 -9.309 -5.961 -3.211 498 HA THR 74 HA THR 74 -7.777 -7.167 -1.314 499 HB THR 74 HB THR 74 -9.501 -5.528 -0.880 500 HG1 THR 74 1HG THR 74 -8.755 -7.259 0.721 501 HG21 THR 74 3HG2 THR 74 -11.325 -6.499 -2.266 502 HG22 THR 74 1HG2 THR 74 -11.819 -6.156 -0.603 503 HG23 THR 74 2HG2 THR 74 -11.500 -7.827 -1.094 504 H GLY 75 H GLY 75 -10.120 -8.826 -3.326 505 HA2 GLY 75 1HA GLY 75 -9.744 -11.365 -1.796 506 HA3 GLY 75 2HA GLY 75 -11.108 -10.951 -2.832 507 H GLN 76 H GLN 76 -7.866 -10.223 -3.981 508 HA GLN 76 HA GLN 76 -7.685 -12.751 -5.556 509 HB3 GLN 76 2HB GLN 76 -5.823 -11.753 -6.675 510 HG3 GLN 76 2HG GLN 76 -7.929 -9.552 -6.744 511 HE21 GLN 76 1HE2 GLN 76 -8.413 -9.126 -9.314 512 HE22 GLN 76 2HE2 GLN 76 -6.937 -9.189 -10.262 513 H ARG 77 H ARG 77 -5.232 -13.648 -5.308 514 HA ARG 77 HA ARG 77 -3.885 -12.726 -2.959 515 HB3 ARG 77 2HB ARG 77 -5.299 -14.048 -1.660 516 HG3 ARG 77 2HG ARG 77 -5.249 -16.119 -3.872 517 HD3 ARG 77 2HD ARG 77 -6.173 -16.340 -0.981 518 HE ARG 77 HE ARG 77 -7.190 -17.736 -3.087 519 HH11 ARG 77 1HH1 ARG 77 -5.286 -18.729 -0.177 520 HH12 ARG 77 2HH1 ARG 77 -5.503 -20.414 -0.517 521 HH21 ARG 77 1HH2 ARG 77 -7.501 -20.091 -3.327 522 HH22 ARG 77 2HH2 ARG 77 -6.919 -21.121 -2.059 523 H VAL 78 H VAL 78 -2.207 -12.393 -4.429 524 HA VAL 78 HA VAL 78 -1.329 -14.404 -6.263 525 HB VAL 78 HB VAL 78 0.787 -13.149 -6.501 526 HG11 VAL 78 1HG1 VAL 78 -1.670 -11.396 -6.663 527 HG12 VAL 78 2HG1 VAL 78 -0.185 -11.257 -7.622 528 HG13 VAL 78 3HG1 VAL 78 -1.240 -12.679 -7.816 529 HG21 VAL 78 3HG2 VAL 78 -0.318 -11.219 -4.428 530 HG22 VAL 78 1HG2 VAL 78 1.192 -12.167 -4.326 531 HG23 VAL 78 2HG2 VAL 78 1.037 -10.902 -5.539 532 H LEU 79 H LEU 79 -0.497 -16.306 -5.876 533 HA LEU 79 HA LEU 79 0.496 -18.066 -4.829 534 HB3 LEU 79 2HB LEU 79 2.753 -17.788 -4.030 535 HG LEU 79 HG LEU 79 2.389 -15.827 -6.309 536 HD11 LEU 79 1HD1 LEU 79 4.601 -15.739 -5.215 537 HD12 LEU 79 2HD1 LEU 79 4.711 -16.376 -6.866 538 HD13 LEU 79 3HD1 LEU 79 4.807 -17.479 -5.492 539 HD21 LEU 79 3HD2 LEU 79 2.948 -17.803 -7.777 540 HD22 LEU 79 1HD2 LEU 79 1.383 -17.965 -6.975 541 HD23 LEU 79 2HD2 LEU 79 2.794 -18.861 -6.355 542 H GLY 80 H GLY 80 -1.551 -16.610 -3.308 543 HA2 GLY 80 1HA GLY 80 -2.542 -17.211 -1.238 544 HA3 GLY 80 2HA GLY 80 -1.000 -17.837 -0.666 545 H VAL 81 H VAL 81 -1.047 -14.588 -2.106 546 HA VAL 81 HA VAL 81 -1.042 -13.370 0.612 547 HB VAL 81 HB VAL 81 0.490 -12.453 -1.849 548 HG11 VAL 81 1HG1 VAL 81 1.615 -10.987 -0.156 549 HG12 VAL 81 2HG1 VAL 81 -0.094 -10.605 -0.342 550 HG13 VAL 81 3HG1 VAL 81 0.423 -11.561 1.054 551 HG21 VAL 81 3HG2 VAL 81 2.484 -13.186 -0.513 552 HG22 VAL 81 1HG2 VAL 81 1.367 -13.949 0.652 553 HG23 VAL 81 2HG2 VAL 81 1.475 -14.536 -1.019 554 HA PRO 82 HA PRO 82 -4.655 -11.375 -1.414 555 HB3 PRO 82 2HB PRO 82 -6.237 -12.657 -0.277 556 HG3 PRO 82 2HG PRO 82 -5.620 -13.844 1.652 557 HD3 PRO 82 2HD PRO 82 -3.745 -14.385 0.398 558 H ILE 83 H ILE 83 -5.848 -9.287 -0.466 559 HA ILE 83 HA ILE 83 -3.918 -7.737 1.173 560 HB ILE 83 HB ILE 83 -3.326 -7.218 -1.041 561 HG13 ILE 83 2HG1 ILE 83 -3.484 -5.416 0.704 562 HG21 ILE 83 1HG2 ILE 83 -5.557 -7.838 -2.194 563 HG22 ILE 83 2HG2 ILE 83 -6.034 -6.159 -1.845 564 HG23 ILE 83 3HG2 ILE 83 -4.622 -6.515 -2.846 565 HD11 ILE 83 3HD1 ILE 83 -3.079 -3.550 -0.753 566 HD12 ILE 83 1HD1 ILE 83 -2.356 -5.000 -1.485 567 HD13 ILE 83 2HD1 ILE 83 -3.889 -4.346 -2.114 568 H ILE 84 H ILE 84 -4.824 -6.199 2.507 569 HA ILE 84 HA ILE 84 -7.736 -6.416 3.012 570 HB ILE 84 HB ILE 84 -5.505 -4.924 4.451 571 HG13 ILE 84 2HG1 ILE 84 -5.598 -6.620 6.185 572 HG21 ILE 84 1HG2 ILE 84 -7.560 -3.815 5.067 573 HG22 ILE 84 2HG2 ILE 84 -8.442 -5.329 5.184 574 HG23 ILE 84 3HG2 ILE 84 -7.221 -4.907 6.391 575 HD11 ILE 84 3HD1 ILE 84 -6.796 -8.712 5.984 576 HD12 ILE 84 1HD1 ILE 84 -7.964 -7.409 5.975 577 HD13 ILE 84 2HD1 ILE 84 -7.536 -8.212 4.451 578 H VAL 85 H VAL 85 -9.204 -4.728 2.571 579 HA VAL 85 HA VAL 85 -8.598 -2.719 0.710 580 HB VAL 85 HB VAL 85 -10.819 -1.895 1.147 581 HG11 VAL 85 1HG1 VAL 85 -12.131 -3.827 0.651 582 HG12 VAL 85 2HG1 VAL 85 -10.586 -3.892 -0.198 583 HG13 VAL 85 3HG1 VAL 85 -10.857 -4.895 1.253 584 HG21 VAL 85 3HG2 VAL 85 -12.305 -2.848 2.873 585 HG22 VAL 85 1HG2 VAL 85 -10.965 -3.797 3.542 586 HG23 VAL 85 2HG2 VAL 85 -10.947 -2.023 3.622 587 H GLN 86 H GLN 86 -7.609 -2.642 3.873 588 HA GLN 86 HA GLN 86 -8.307 -0.351 5.064 589 HB3 GLN 86 2HB GLN 86 -5.589 -0.403 5.649 590 HG3 GLN 86 2HG GLN 86 -6.146 -1.989 7.479 591 HE21 GLN 86 1HE2 GLN 86 -5.390 0.116 8.294 592 HE22 GLN 86 2HE2 GLN 86 -6.585 1.262 8.849 593 H ALA 87 H ALA 87 -5.505 -0.331 2.757 594 HA ALA 87 HA ALA 87 -4.436 1.251 1.761 595 HB1 ALA 87 1HB ALA 87 -6.630 1.867 0.816 596 HB2 ALA 87 2HB ALA 87 -6.884 2.963 2.184 597 HB3 ALA 87 3HB ALA 87 -5.575 3.280 1.018 598 H SER 88 H SER 88 -3.641 3.561 2.142 599 HA SER 88 HA SER 88 -3.474 4.196 5.071 600 HB3 SER 88 2HB SER 88 -2.157 5.956 3.041 601 HG SER 88 HG SER 88 -1.068 6.502 4.769 602 H GLN 89 H GLN 89 -4.360 6.314 5.657 603 HA GLN 89 HA GLN 89 -5.939 7.742 3.688 604 HB3 GLN 89 2HB GLN 89 -7.755 6.790 4.325 605 HG3 GLN 89 2HG GLN 89 -6.834 5.110 5.506 606 HE21 GLN 89 1HE2 GLN 89 -8.083 6.957 8.323 607 HE22 GLN 89 2HE2 GLN 89 -6.563 6.951 9.248 608 H ALA 90 H ALA 90 -6.667 9.928 4.965 609 HA ALA 90 HA ALA 90 -4.263 11.038 6.186 610 HB1 ALA 90 1HB ALA 90 -5.815 12.324 4.692 611 HB2 ALA 90 2HB ALA 90 -7.091 12.166 5.913 612 HB3 ALA 90 3HB ALA 90 -5.633 13.083 6.277 613 H GLU 91 H GLU 91 -4.150 11.908 8.370 614 HA GLU 91 HA GLU 91 -6.148 10.889 10.309 615 HB3 GLU 91 2HB GLU 91 -3.615 12.230 11.193 616 HG3 GLU 91 2HG GLU 91 -4.535 9.528 12.169 617 H LYS 92 H LYS 92 -6.164 13.213 8.356 618 HA LYS 92 HA LYS 92 -5.865 15.689 9.877 619 HB3 LYS 92 2HB LYS 92 -6.471 16.742 7.694 620 HG3 LYS 92 2HG LYS 92 -4.701 15.664 6.258 621 HD3 LYS 92 2HD LYS 92 -3.719 16.186 9.077 622 HE3 LYS 92 2HE LYS 92 -2.484 16.632 6.332 623 HZ1 LYS 92 3HZ LYS 92 -0.548 17.205 7.511 624 HZ2 LYS 92 1HZ LYS 92 -1.213 16.904 9.002 625 HZ3 LYS 92 2HZ LYS 92 -1.752 18.165 8.113 626 H ASN 93 H ASN 93 -7.559 17.282 10.130 627 HA ASN 93 HA ASN 93 -10.262 16.678 9.313 628 HB3 ASN 93 2HB ASN 93 -10.062 17.301 12.259 629 HD21 ASN 93 1HD2 ASN 93 -12.142 18.174 10.494 630 HD22 ASN 93 2HD2 ASN 93 -13.558 17.141 10.710 631 H ARG 94 H ARG 94 -8.090 18.769 8.755 632 HA ARG 94 HA ARG 94 -9.681 21.066 8.934 633 HB3 ARG 94 2HB ARG 94 -8.718 21.284 11.215 634 HG3 ARG 94 2HG ARG 94 -6.073 20.955 9.760 635 HD3 ARG 94 2HD ARG 94 -6.525 22.329 12.444 636 HE ARG 94 HE ARG 94 -4.405 21.659 12.797 637 HH11 ARG 94 1HH1 ARG 94 -4.515 22.711 9.364 638 HH12 ARG 94 2HH1 ARG 94 -2.932 22.082 9.013 639 HH21 ARG 94 1HH2 ARG 94 -2.263 21.021 12.308 640 HH22 ARG 94 2HH2 ARG 94 -1.644 21.154 10.688 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -13.976 12.764 -11.303 2 HA2 GLY 1 1HA GLY 1 -14.577 15.595 -11.963 3 HA3 GLY 1 2HA GLY 1 -14.486 14.969 -10.311 4 H HIS 2 H HIS 2 -12.586 15.095 -9.302 5 HA HIS 2 HA HIS 2 -10.504 15.559 -8.784 6 HB3 HIS 2 2HB HIS 2 -8.699 14.349 -10.025 7 HD1 HIS 2 1HD HIS 2 -9.677 13.840 -7.271 8 HD2 HIS 2 2HD HIS 2 -10.845 11.488 -10.575 9 HE1 HIS 2 1HE HIS 2 -10.817 11.753 -6.311 10 H MET 3 H MET 3 -11.080 17.770 -9.125 11 HA MET 3 HA MET 3 -9.644 19.272 -11.191 12 HB3 MET 3 2HB MET 3 -10.627 20.476 -8.594 13 HG3 MET 3 2HG MET 3 -9.678 21.715 -10.704 14 HE1 MET 3 3HE MET 3 -13.427 22.563 -10.747 15 HE2 MET 3 1HE MET 3 -14.076 21.707 -12.163 16 HE3 MET 3 2HE MET 3 -13.600 20.796 -10.715 17 H ASN 4 H ASN 4 -7.646 20.345 -10.838 18 HA ASN 4 HA ASN 4 -5.725 20.946 -9.987 19 HB3 ASN 4 2HB ASN 4 -6.991 21.469 -7.307 20 HD21 ASN 4 1HD2 ASN 4 -6.928 24.071 -7.051 21 HD22 ASN 4 2HD2 ASN 4 -5.460 24.794 -7.666 22 H LEU 5 H LEU 5 -4.618 20.871 -7.228 23 HA LEU 5 HA LEU 5 -4.519 18.064 -6.453 24 HB3 LEU 5 2HB LEU 5 -1.926 19.582 -6.915 25 HG LEU 5 HG LEU 5 -0.907 17.410 -7.459 26 HD11 LEU 5 1HD1 LEU 5 -0.664 18.269 -5.130 27 HD12 LEU 5 2HD1 LEU 5 -0.490 16.516 -5.319 28 HD13 LEU 5 3HD1 LEU 5 -1.980 17.151 -4.658 29 HD21 LEU 5 3HD2 LEU 5 -3.521 16.167 -6.547 30 HD22 LEU 5 1HD2 LEU 5 -1.998 15.289 -6.605 31 HD23 LEU 5 2HD2 LEU 5 -2.656 15.971 -8.094 32 H THR 6 H THR 6 -3.665 17.976 -4.129 33 HA THR 6 HA THR 6 -3.913 20.564 -2.695 34 HB THR 6 HB THR 6 -4.647 19.061 -0.798 35 HG1 THR 6 1HG THR 6 -5.252 16.971 -1.362 36 HG21 THR 6 3HG2 THR 6 -6.890 18.621 -1.651 37 HG22 THR 6 1HG2 THR 6 -6.311 18.801 -3.324 38 HG23 THR 6 2HG2 THR 6 -6.332 20.196 -2.229 39 HA PRO 7 HA PRO 7 0.197 19.694 -0.998 40 HB3 PRO 7 2HB PRO 7 0.110 21.321 0.588 41 HG3 PRO 7 2HG PRO 7 -1.937 21.955 1.565 42 HD3 PRO 7 2HD PRO 7 -2.467 21.894 -0.712 43 H GLU 8 H GLU 8 -2.576 17.771 -0.317 44 HA GLU 8 HA GLU 8 -1.084 15.746 1.254 45 HB3 GLU 8 2HB GLU 8 -3.417 15.070 1.810 46 HG3 GLU 8 2HG GLU 8 -2.616 17.952 2.357 47 H GLU 9 H GLU 9 -2.864 16.115 -1.875 48 HA GLU 9 HA GLU 9 -3.564 13.390 -2.081 49 HB3 GLU 9 2HB GLU 9 -3.408 14.172 -4.720 50 HG3 GLU 9 2HG GLU 9 -5.534 14.859 -2.672 51 H ARG 10 H ARG 10 -0.397 14.805 -2.585 52 HA ARG 10 HA ARG 10 0.671 12.612 -4.140 53 HB3 ARG 10 2HB ARG 10 2.895 13.454 -3.229 54 HG3 ARG 10 2HG ARG 10 0.954 14.999 -4.866 55 HD3 ARG 10 2HD ARG 10 2.558 16.521 -3.134 56 HE ARG 10 HE ARG 10 3.759 17.127 -5.663 57 HH11 ARG 10 1HH1 ARG 10 4.348 15.170 -2.640 58 HH12 ARG 10 2HH1 ARG 10 6.023 15.082 -3.000 59 HH21 ARG 10 1HH2 ARG 10 5.991 17.300 -5.751 60 HH22 ARG 10 2HH2 ARG 10 7.007 16.470 -4.628 61 H ASP 11 H ASP 11 -0.150 13.064 -0.766 62 HA ASP 11 HA ASP 11 1.627 10.911 0.195 63 HB3 ASP 11 2HB ASP 11 -0.384 12.450 1.862 64 H ALA 12 H ALA 12 -1.776 11.702 -0.313 65 HA ALA 12 HA ALA 12 -3.014 9.334 0.633 66 HB1 ALA 12 1HB ALA 12 -4.869 9.983 -0.796 67 HB2 ALA 12 2HB ALA 12 -4.167 11.466 -0.102 68 HB3 ALA 12 3HB ALA 12 -3.818 11.016 -1.786 69 H ARG 13 H ARG 13 -1.021 9.820 -2.184 70 HA ARG 13 HA ARG 13 -1.863 7.817 -3.949 71 HB3 ARG 13 2HB ARG 13 0.513 7.653 -4.633 72 HG3 ARG 13 2HG ARG 13 -0.109 10.552 -4.071 73 HD3 ARG 13 2HD ARG 13 1.316 9.099 -6.327 74 HE ARG 13 HE ARG 13 0.499 11.731 -6.351 75 HH11 ARG 13 1HH1 ARG 13 3.603 10.018 -6.369 76 HH12 ARG 13 2HH1 ARG 13 4.304 11.030 -7.606 77 HH21 ARG 13 1HH2 ARG 13 1.603 13.337 -7.624 78 HH22 ARG 13 2HH2 ARG 13 3.320 13.220 -7.835 79 H THR 14 H THR 14 -0.158 7.411 -0.840 80 HA THR 14 HA THR 14 0.955 4.862 -1.571 81 HB THR 14 HB THR 14 0.518 6.363 1.089 82 HG1 THR 14 1HG THR 14 2.912 6.600 0.744 83 HG21 THR 14 3HG2 THR 14 2.455 4.071 0.618 84 HG22 THR 14 1HG2 THR 14 0.952 3.976 1.580 85 HG23 THR 14 2HG2 THR 14 2.259 5.034 2.095 86 H VAL 15 H VAL 15 0.437 2.821 -0.802 87 HA VAL 15 HA VAL 15 -2.390 2.526 0.092 88 HB VAL 15 HB VAL 15 -2.234 0.319 -1.224 89 HG11 VAL 15 1HG1 VAL 15 -2.508 3.080 -2.512 90 HG12 VAL 15 2HG1 VAL 15 -3.069 1.573 -3.263 91 HG13 VAL 15 3HG1 VAL 15 -3.789 2.124 -1.738 92 HG21 VAL 15 3HG2 VAL 15 0.238 0.658 -1.872 93 HG22 VAL 15 1HG2 VAL 15 -0.847 0.363 -3.255 94 HG23 VAL 15 2HG2 VAL 15 -0.293 1.996 -2.892 95 H PHE 16 H PHE 16 -2.587 1.778 1.946 96 HA PHE 16 HA PHE 16 -0.336 0.594 3.404 97 HB3 PHE 16 2HB PHE 16 -3.075 1.505 4.330 98 HD1 PHE 16 2HD PHE 16 0.232 0.041 5.448 99 HD2 PHE 16 1HD PHE 16 -3.803 1.084 6.550 100 HE1 PHE 16 2HE PHE 16 0.500 -1.203 7.535 101 HE2 PHE 16 1HE PHE 16 -3.505 -0.114 8.701 102 HZ PHE 16 HZ PHE 16 -1.353 -1.291 9.184 103 H CYS 17 H CYS 17 -0.052 -1.450 3.086 104 HA CYS 17 HA CYS 17 -2.307 -3.329 2.670 105 HB3 CYS 17 2HB CYS 17 -0.655 -4.848 1.865 106 HG CYS 17 HG CYS 17 0.156 -1.757 0.912 107 H MET 18 H MET 18 -3.011 -4.321 4.527 108 HA MET 18 HA MET 18 -1.192 -4.490 6.883 109 HB3 MET 18 2HB MET 18 -4.147 -3.886 6.825 110 HG3 MET 18 2HG MET 18 -2.802 -2.879 9.145 111 HE1 MET 18 3HE MET 18 -5.751 -2.520 8.081 112 HE2 MET 18 1HE MET 18 -6.647 -2.716 9.602 113 HE3 MET 18 2HE MET 18 -5.116 -1.819 9.588 114 H GLN 19 H GLN 19 -1.895 -6.619 4.751 115 HA GLN 19 HA GLN 19 -3.048 -8.685 6.539 116 HB3 GLN 19 2HB GLN 19 -3.995 -8.623 3.698 117 HG3 GLN 19 2HG GLN 19 -5.349 -9.137 6.393 118 HE21 GLN 19 1HE2 GLN 19 -5.950 -8.346 2.997 119 HE22 GLN 19 2HE2 GLN 19 -7.666 -8.667 3.055 120 H LEU 20 H LEU 20 -0.270 -8.125 5.610 121 HA LEU 20 HA LEU 20 0.174 -9.914 3.367 122 HB3 LEU 20 2HB LEU 20 2.441 -9.237 3.357 123 HG LEU 20 HG LEU 20 0.855 -6.808 4.309 124 HD11 LEU 20 1HD1 LEU 20 2.649 -5.510 3.308 125 HD12 LEU 20 2HD1 LEU 20 3.590 -6.982 2.991 126 HD13 LEU 20 3HD1 LEU 20 3.252 -6.478 4.662 127 HD21 LEU 20 3HD2 LEU 20 0.924 -6.240 1.847 128 HD22 LEU 20 1HD2 LEU 20 -0.079 -7.648 2.232 129 HD23 LEU 20 2HD2 LEU 20 1.543 -7.831 1.523 130 H ALA 21 H ALA 21 1.981 -11.490 3.374 131 HA ALA 21 HA ALA 21 1.571 -13.482 5.502 132 HB1 ALA 21 1HB ALA 21 3.090 -14.823 3.916 133 HB2 ALA 21 2HB ALA 21 1.519 -14.355 3.247 134 HB3 ALA 21 3HB ALA 21 3.009 -13.466 2.803 135 H ALA 22 H ALA 22 3.135 -14.171 6.834 136 HA ALA 22 HA ALA 22 5.364 -12.634 7.596 137 HB1 ALA 22 1HB ALA 22 5.769 -14.508 9.117 138 HB2 ALA 22 2HB ALA 22 4.053 -14.082 9.063 139 HB3 ALA 22 3HB ALA 22 4.626 -15.522 8.200 140 H ARG 23 H ARG 23 5.468 -13.852 4.684 141 HA ARG 23 HA ARG 23 8.332 -14.169 4.763 142 HB3 ARG 23 2HB ARG 23 7.895 -16.474 5.021 143 HG3 ARG 23 2HG ARG 23 6.939 -17.413 2.617 144 HD3 ARG 23 2HD ARG 23 4.597 -17.224 4.102 145 HE ARG 23 HE ARG 23 5.595 -19.294 3.286 146 HH11 ARG 23 1HH1 ARG 23 6.278 -18.489 6.710 147 HH12 ARG 23 2HH1 ARG 23 6.391 -20.140 7.188 148 HH21 ARG 23 1HH2 ARG 23 6.068 -21.440 3.919 149 HH22 ARG 23 2HH2 ARG 23 6.287 -21.838 5.575 150 H ILE 24 H ILE 24 6.193 -12.272 3.629 151 HA ILE 24 HA ILE 24 6.430 -12.353 0.788 152 HB ILE 24 HB ILE 24 4.605 -11.298 2.005 153 HG13 ILE 24 2HG1 ILE 24 5.510 -10.478 -0.331 154 HG21 ILE 24 1HG2 ILE 24 4.847 -9.158 3.182 155 HG22 ILE 24 2HG2 ILE 24 5.923 -10.334 3.942 156 HG23 ILE 24 3HG2 ILE 24 6.583 -9.141 2.833 157 HD11 ILE 24 3HD1 ILE 24 3.789 -8.796 -0.533 158 HD12 ILE 24 1HD1 ILE 24 3.171 -10.157 0.406 159 HD13 ILE 24 2HD1 ILE 24 3.658 -8.654 1.229 160 H ARG 25 H ARG 25 7.750 -11.095 -0.568 161 HA ARG 25 HA ARG 25 10.390 -10.189 0.495 162 HB3 ARG 25 2HB ARG 25 10.466 -9.539 -2.141 163 HG3 ARG 25 2HG ARG 25 10.847 -12.440 -1.349 164 HD3 ARG 25 2HD ARG 25 12.117 -10.552 -3.397 165 HE ARG 25 HE ARG 25 13.829 -12.004 -3.199 166 HH11 ARG 25 1HH1 ARG 25 10.843 -13.962 -3.486 167 HH12 ARG 25 2HH1 ARG 25 11.732 -15.340 -4.081 168 HH21 ARG 25 1HH2 ARG 25 14.925 -13.935 -3.555 169 HH22 ARG 25 2HH2 ARG 25 14.068 -15.347 -4.063 170 HA PRO 26 HA PRO 26 9.032 -5.884 0.280 171 HB3 PRO 26 2HB PRO 26 11.110 -5.183 1.015 172 HG3 PRO 26 2HG PRO 26 13.110 -6.302 0.284 173 HD3 PRO 26 2HD PRO 26 11.634 -7.923 1.254 174 H ARG 27 H ARG 27 10.738 -7.313 -2.579 175 HA ARG 27 HA ARG 27 9.609 -5.468 -4.452 176 HB3 ARG 27 2HB ARG 27 10.808 -8.241 -4.853 177 HG3 ARG 27 2HG ARG 27 9.644 -6.244 -6.770 178 HD3 ARG 27 2HD ARG 27 11.941 -8.037 -7.554 179 HE ARG 27 HE ARG 27 9.730 -7.261 -9.059 180 HH11 ARG 27 1HH1 ARG 27 13.126 -6.273 -9.417 181 HH12 ARG 27 2HH1 ARG 27 13.016 -6.290 -11.150 182 HH21 ARG 27 1HH2 ARG 27 9.586 -7.216 -11.139 183 HH22 ARG 27 2HH2 ARG 27 10.864 -6.634 -12.183 184 H ASP 28 H ASP 28 8.114 -8.345 -2.914 185 HA ASP 28 HA ASP 28 6.320 -8.985 -5.024 186 HB3 ASP 28 2HB ASP 28 5.030 -9.268 -2.430 187 H LEU 29 H LEU 29 6.283 -6.490 -2.609 188 HA LEU 29 HA LEU 29 3.514 -5.757 -2.777 189 HB3 LEU 29 2HB LEU 29 4.367 -3.593 -1.749 190 HG LEU 29 HG LEU 29 4.897 -4.335 0.390 191 HD11 LEU 29 1HD1 LEU 29 3.209 -6.578 -0.744 192 HD12 LEU 29 2HD1 LEU 29 2.597 -4.934 -0.434 193 HD13 LEU 29 3HD1 LEU 29 3.188 -5.938 0.896 194 HD21 LEU 29 3HD2 LEU 29 6.765 -5.867 -0.127 195 HD22 LEU 29 1HD2 LEU 29 5.605 -7.116 -0.627 196 HD23 LEU 29 2HD2 LEU 29 5.624 -6.553 1.038 197 H GLU 30 H GLU 30 6.375 -4.922 -4.763 198 HA GLU 30 HA GLU 30 4.897 -2.759 -6.034 199 HB3 GLU 30 2HB GLU 30 7.369 -2.783 -5.165 200 HG3 GLU 30 2HG GLU 30 7.916 -3.347 -8.085 201 H GLU 31 H GLU 31 5.993 -6.056 -6.589 202 HA GLU 31 HA GLU 31 5.768 -6.259 -9.389 203 HB3 GLU 31 2HB GLU 31 5.217 -8.724 -8.845 204 HG3 GLU 31 2HG GLU 31 7.372 -8.956 -7.307 205 H PHE 32 H PHE 32 3.334 -6.716 -6.874 206 HA PHE 32 HA PHE 32 1.095 -7.530 -8.364 207 HB3 PHE 32 2HB PHE 32 1.233 -5.723 -5.919 208 HD1 PHE 32 1HD PHE 32 -0.881 -8.003 -8.068 209 HD2 PHE 32 2HD PHE 32 -0.772 -5.477 -4.548 210 HE1 PHE 32 1HE PHE 32 -3.254 -8.170 -7.878 211 HE2 PHE 32 2HE PHE 32 -3.213 -5.650 -4.376 212 HZ PHE 32 HZ PHE 32 -4.490 -7.019 -6.017 213 H PHE 33 H PHE 33 1.794 -4.139 -7.324 214 HA PHE 33 HA PHE 33 -0.255 -3.161 -9.073 215 HB3 PHE 33 2HB PHE 33 0.429 -1.012 -8.426 216 HD1 PHE 33 2HD PHE 33 -1.766 -2.290 -7.385 217 HD2 PHE 33 1HD PHE 33 1.995 -1.614 -5.364 218 HE1 PHE 33 2HE PHE 33 -2.887 -2.535 -5.222 219 HE2 PHE 33 1HE PHE 33 0.851 -1.855 -3.197 220 HZ PHE 33 HZ PHE 33 -1.579 -2.306 -3.101 221 H SER 34 H SER 34 3.209 -3.776 -9.621 222 HA SER 34 HA SER 34 3.455 -2.040 -11.842 223 HB3 SER 34 2HB SER 34 4.977 -4.577 -12.065 224 HG SER 34 HG SER 34 6.072 -2.078 -11.469 225 H THR 35 H THR 35 1.575 -4.942 -11.503 226 HA THR 35 HA THR 35 1.700 -5.867 -14.228 227 HB THR 35 HB THR 35 -0.418 -6.972 -13.804 228 HG1 THR 35 1HG THR 35 -0.394 -5.885 -11.178 229 HG21 THR 35 3HG2 THR 35 0.200 -8.356 -11.870 230 HG22 THR 35 1HG2 THR 35 1.404 -7.163 -11.399 231 HG23 THR 35 2HG2 THR 35 1.597 -8.045 -12.932 232 H VAL 36 H VAL 36 -0.101 -3.366 -12.626 233 HA VAL 36 HA VAL 36 -1.677 -2.634 -15.027 234 HB VAL 36 HB VAL 36 -3.257 -1.802 -13.142 235 HG11 VAL 36 1HG1 VAL 36 -3.749 -3.750 -14.535 236 HG12 VAL 36 2HG1 VAL 36 -2.803 -4.796 -13.461 237 HG13 VAL 36 3HG1 VAL 36 -4.285 -4.016 -12.873 238 HG21 VAL 36 3HG2 VAL 36 -1.648 -3.757 -11.402 239 HG22 VAL 36 1HG2 VAL 36 -1.656 -1.984 -11.231 240 HG23 VAL 36 2HG2 VAL 36 -3.137 -2.891 -10.967 241 H GLY 37 H GLY 37 1.107 -1.652 -13.670 242 HA2 GLY 37 1HA GLY 37 0.895 1.130 -14.089 243 HA3 GLY 37 2HA GLY 37 0.410 0.750 -12.414 244 H LYS 38 H LYS 38 2.127 1.437 -11.220 245 HA LYS 38 HA LYS 38 4.727 0.217 -11.472 246 HB3 LYS 38 2HB LYS 38 4.899 1.987 -13.146 247 HG3 LYS 38 2HG LYS 38 4.264 3.999 -10.997 248 HD3 LYS 38 2HD LYS 38 5.778 4.637 -12.863 249 HE3 LYS 38 2HE LYS 38 3.167 4.676 -14.449 250 HZ1 LYS 38 3HZ LYS 38 4.502 5.420 -16.211 251 HZ2 LYS 38 1HZ LYS 38 5.917 5.163 -15.369 252 HZ3 LYS 38 2HZ LYS 38 4.879 6.388 -14.966 253 H VAL 39 H VAL 39 6.019 1.723 -9.608 254 HA VAL 39 HA VAL 39 4.397 2.520 -7.323 255 HB VAL 39 HB VAL 39 6.313 0.162 -7.452 256 HG11 VAL 39 1HG1 VAL 39 7.108 1.525 -5.595 257 HG12 VAL 39 2HG1 VAL 39 5.457 1.616 -4.935 258 HG13 VAL 39 3HG1 VAL 39 6.329 0.055 -5.028 259 HG21 VAL 39 3HG2 VAL 39 4.387 -0.770 -5.961 260 HG22 VAL 39 1HG2 VAL 39 3.458 0.612 -6.509 261 HG23 VAL 39 2HG2 VAL 39 4.073 -0.567 -7.694 262 H ARG 40 H ARG 40 5.554 3.943 -6.035 263 HA ARG 40 HA ARG 40 7.917 5.236 -7.263 264 HB3 ARG 40 2HB ARG 40 6.127 5.846 -4.883 265 HG3 ARG 40 2HG ARG 40 8.389 6.436 -4.119 266 HD3 ARG 40 2HD ARG 40 8.676 7.336 -6.900 267 HE ARG 40 HE ARG 40 8.489 9.448 -5.096 268 HH11 ARG 40 1HH1 ARG 40 10.768 8.229 -7.475 269 HH12 ARG 40 2HH1 ARG 40 11.206 9.779 -8.111 270 HH21 ARG 40 1HH2 ARG 40 9.269 11.501 -5.642 271 HH22 ARG 40 2HH2 ARG 40 10.294 11.734 -7.019 272 H ASP 41 H ASP 41 6.999 3.673 -4.115 273 HA ASP 41 HA ASP 41 9.615 2.427 -3.866 274 HB3 ASP 41 2HB ASP 41 9.919 3.737 -1.570 275 H VAL 42 H VAL 42 9.731 1.238 -1.746 276 HA VAL 42 HA VAL 42 7.019 0.425 -0.758 277 HB VAL 42 HB VAL 42 9.541 -1.263 -1.135 278 HG11 VAL 42 1HG1 VAL 42 6.716 -2.214 -0.524 279 HG12 VAL 42 2HG1 VAL 42 8.201 -3.167 -0.561 280 HG13 VAL 42 3HG1 VAL 42 7.978 -1.990 0.720 281 HG21 VAL 42 3HG2 VAL 42 8.641 -0.792 -3.351 282 HG22 VAL 42 1HG2 VAL 42 8.217 -2.449 -2.913 283 HG23 VAL 42 2HG2 VAL 42 6.995 -1.183 -2.810 284 H ARG 43 H ARG 43 6.821 0.643 1.447 285 HA ARG 43 HA ARG 43 9.248 0.678 3.132 286 HB3 ARG 43 2HB ARG 43 9.013 2.853 3.467 287 HG3 ARG 43 2HG ARG 43 6.030 2.822 3.294 288 HD3 ARG 43 2HD ARG 43 6.239 5.277 3.061 289 HE ARG 43 HE ARG 43 6.274 3.994 5.417 290 HH11 ARG 43 1HH1 ARG 43 8.450 6.620 4.415 291 HH12 ARG 43 2HH1 ARG 43 8.628 7.284 5.991 292 HH21 ARG 43 1HH2 ARG 43 6.287 5.040 7.500 293 HH22 ARG 43 2HH2 ARG 43 7.342 6.395 7.759 294 H MET 44 H MET 44 8.733 -1.533 3.067 295 HA MET 44 HA MET 44 6.437 -2.575 4.463 296 HB3 MET 44 2HB MET 44 8.857 -4.268 3.961 297 HG3 MET 44 2HG MET 44 6.212 -4.636 2.657 298 HE1 MET 44 3HE MET 44 7.125 -8.165 5.232 299 HE2 MET 44 1HE MET 44 7.280 -6.495 5.827 300 HE3 MET 44 2HE MET 44 5.737 -7.053 5.145 301 H ILE 45 H ILE 45 6.378 -3.101 6.651 302 HA ILE 45 HA ILE 45 8.846 -2.646 8.223 303 HB ILE 45 HB ILE 45 6.038 -3.073 9.290 304 HG13 ILE 45 2HG1 ILE 45 7.425 -0.513 8.453 305 HG21 ILE 45 1HG2 ILE 45 7.939 -3.587 10.818 306 HG22 ILE 45 2HG2 ILE 45 8.583 -1.958 10.542 307 HG23 ILE 45 3HG2 ILE 45 7.013 -2.172 11.354 308 HD11 ILE 45 3HD1 ILE 45 5.508 -1.168 7.033 309 HD12 ILE 45 1HD1 ILE 45 4.495 -1.383 8.482 310 HD13 ILE 45 2HD1 ILE 45 5.089 0.222 8.030 311 H SER 46 H SER 46 9.736 -4.575 7.120 312 HA SER 46 HA SER 46 8.599 -7.179 7.569 313 HB3 SER 46 2HB SER 46 10.651 -7.991 6.620 314 HG SER 46 HG SER 46 10.120 -7.204 4.760 315 H ASP 47 H ASP 47 8.194 -7.464 9.747 316 HA ASP 47 HA ASP 47 8.255 -7.559 11.833 317 HB3 ASP 47 2HB ASP 47 9.862 -8.925 12.795 318 H ARG 48 H ARG 48 9.755 -7.223 13.971 319 HA ARG 48 HA ARG 48 11.169 -4.774 14.042 320 HB3 ARG 48 2HB ARG 48 8.564 -4.197 15.289 321 HG3 ARG 48 2HG ARG 48 8.641 -2.393 13.271 322 HD3 ARG 48 2HD ARG 48 10.348 -2.111 15.765 323 HE ARG 48 HE ARG 48 10.523 -0.067 14.803 324 HH11 ARG 48 1HH1 ARG 48 7.172 -1.083 14.345 325 HH12 ARG 48 2HH1 ARG 48 6.478 0.475 14.300 326 HH21 ARG 48 1HH2 ARG 48 9.624 2.123 14.809 327 HH22 ARG 48 2HH2 ARG 48 7.970 2.397 14.481 328 H ASN 49 H ASN 49 11.259 -4.012 16.222 329 HA ASN 49 HA ASN 49 12.282 -5.367 18.091 330 HB3 ASN 49 2HB ASN 49 11.935 -2.868 17.951 331 HD21 ASN 49 1HD2 ASN 49 10.033 -3.669 20.824 332 HD22 ASN 49 2HD2 ASN 49 8.895 -2.388 20.586 333 H SER 50 H SER 50 9.329 -6.402 17.645 334 HA SER 50 HA SER 50 9.199 -7.771 20.174 335 HB3 SER 50 2HB SER 50 6.794 -6.074 19.375 336 HG SER 50 HG SER 50 7.161 -7.824 21.578 337 H ARG 51 H ARG 51 7.138 -7.102 17.335 338 HA ARG 51 HA ARG 51 7.563 -9.207 15.740 339 HB3 ARG 51 2HB ARG 51 6.948 -10.955 17.083 340 HG3 ARG 51 2HG ARG 51 4.278 -9.753 17.892 341 HD3 ARG 51 2HD ARG 51 5.894 -12.208 18.644 342 HE ARG 51 HE ARG 51 5.263 -10.842 20.677 343 HH11 ARG 51 1HH1 ARG 51 3.642 -13.769 19.452 344 HH12 ARG 51 2HH1 ARG 51 2.965 -14.127 21.018 345 HH21 ARG 51 1HH2 ARG 51 4.067 -11.239 22.638 346 HH22 ARG 51 2HH2 ARG 51 3.134 -12.698 22.764 347 H ARG 52 H ARG 52 4.917 -7.320 17.170 348 HA ARG 52 HA ARG 52 3.387 -5.907 16.297 349 HB3 ARG 52 2HB ARG 52 3.869 -4.652 14.269 350 HG3 ARG 52 2HG ARG 52 6.309 -4.186 14.263 351 HD3 ARG 52 2HD ARG 52 4.956 -2.701 15.584 352 HE ARG 52 HE ARG 52 3.982 -3.995 17.309 353 HH11 ARG 52 1HH1 ARG 52 7.386 -3.005 18.123 354 HH12 ARG 52 2HH1 ARG 52 7.073 -3.229 19.788 355 HH21 ARG 52 1HH2 ARG 52 3.691 -4.109 19.423 356 HH22 ARG 52 2HH2 ARG 52 4.944 -3.744 20.582 357 H SER 53 H SER 53 2.203 -5.735 13.775 358 HA SER 53 HA SER 53 0.574 -8.062 13.632 359 HB3 SER 53 2HB SER 53 0.791 -6.296 11.232 360 HG SER 53 HG SER 53 -1.083 -7.570 11.530 361 H LYS 54 H LYS 54 3.749 -7.685 12.413 362 HA LYS 54 HA LYS 54 4.975 -8.544 10.795 363 HB3 LYS 54 2HB LYS 54 4.694 -10.272 12.546 364 HG3 LYS 54 2HG LYS 54 3.824 -12.194 10.503 365 HD3 LYS 54 2HD LYS 54 1.935 -12.173 12.561 366 HE3 LYS 54 2HE LYS 54 4.550 -13.691 12.642 367 HZ1 LYS 54 3HZ LYS 54 1.775 -14.547 13.203 368 HZ2 LYS 54 1HZ LYS 54 2.920 -14.233 14.352 369 HZ3 LYS 54 2HZ LYS 54 3.136 -15.498 13.311 370 H GLY 55 H GLY 55 2.075 -7.834 9.686 371 HA2 GLY 55 1HA GLY 55 3.043 -8.479 6.986 372 HA3 GLY 55 2HA GLY 55 1.391 -8.969 7.415 373 H ILE 56 H ILE 56 3.554 -6.078 7.632 374 HA ILE 56 HA ILE 56 1.297 -4.335 6.810 375 HB ILE 56 HB ILE 56 2.255 -2.694 8.579 376 HG13 ILE 56 2HG1 ILE 56 4.184 -4.282 9.176 377 HG21 ILE 56 1HG2 ILE 56 -0.011 -3.574 8.594 378 HG22 ILE 56 2HG2 ILE 56 0.524 -5.090 9.332 379 HG23 ILE 56 3HG2 ILE 56 0.613 -3.561 10.242 380 HD11 ILE 56 3HD1 ILE 56 3.567 -2.380 10.671 381 HD12 ILE 56 1HD1 ILE 56 2.466 -3.467 11.555 382 HD13 ILE 56 2HD1 ILE 56 4.208 -3.790 11.536 383 H ALA 57 H ALA 57 1.775 -2.864 5.327 384 HA ALA 57 HA ALA 57 4.496 -1.811 4.976 385 HB1 ALA 57 1HB ALA 57 4.757 -2.686 2.749 386 HB2 ALA 57 2HB ALA 57 4.263 -4.063 3.724 387 HB3 ALA 57 3HB ALA 57 3.077 -3.247 2.678 388 H TYR 58 H TYR 58 4.513 0.112 3.683 389 HA TYR 58 HA TYR 58 1.860 1.149 2.740 390 HB3 TYR 58 2HB TYR 58 2.652 3.340 3.391 391 HD1 TYR 58 1HD TYR 58 3.907 1.055 6.052 392 HD2 TYR 58 2HD TYR 58 0.662 3.548 4.715 393 HE1 TYR 58 1HE TYR 58 2.917 0.877 8.268 394 HE2 TYR 58 2HE TYR 58 -0.386 3.389 6.963 395 HH TYR 58 HH TYR 58 -0.294 2.359 9.033 396 H VAL 59 H VAL 59 2.373 0.434 0.572 397 HA VAL 59 HA VAL 59 4.913 1.413 -0.576 398 HB VAL 59 HB VAL 59 4.811 -0.780 -0.992 399 HG11 VAL 59 1HG1 VAL 59 2.860 -1.971 -1.989 400 HG12 VAL 59 2HG1 VAL 59 2.668 -1.408 -0.324 401 HG13 VAL 59 3HG1 VAL 59 1.908 -0.516 -1.662 402 HG21 VAL 59 3HG2 VAL 59 4.614 -1.120 -3.357 403 HG22 VAL 59 1HG2 VAL 59 3.664 0.359 -3.535 404 HG23 VAL 59 2HG2 VAL 59 5.346 0.454 -2.995 405 H GLU 60 H GLU 60 5.184 3.145 -1.780 406 HA GLU 60 HA GLU 60 2.903 4.970 -1.948 407 HB3 GLU 60 2HB GLU 60 5.870 5.427 -2.405 408 HG3 GLU 60 2HG GLU 60 3.455 7.307 -2.334 409 H PHE 61 H PHE 61 1.925 5.602 -3.879 410 HA PHE 61 HA PHE 61 2.882 4.336 -6.329 411 HB3 PHE 61 2HB PHE 61 0.394 6.008 -6.089 412 HD1 PHE 61 1HD PHE 61 1.248 2.418 -6.419 413 HD2 PHE 61 2HD PHE 61 -0.204 5.898 -8.410 414 HE1 PHE 61 1HE PHE 61 0.583 1.034 -8.384 415 HE2 PHE 61 2HE PHE 61 -0.616 4.592 -10.474 416 HZ PHE 61 HZ PHE 61 -0.281 2.135 -10.456 417 H VAL 62 H VAL 62 2.957 5.560 -8.318 418 HA VAL 62 HA VAL 62 4.309 8.123 -8.119 419 HB VAL 62 HB VAL 62 3.556 6.330 -10.473 420 HG11 VAL 62 1HG1 VAL 62 4.069 8.561 -11.304 421 HG12 VAL 62 2HG1 VAL 62 5.560 8.596 -10.322 422 HG13 VAL 62 3HG1 VAL 62 5.419 7.479 -11.683 423 HG21 VAL 62 3HG2 VAL 62 6.135 6.499 -8.851 424 HG22 VAL 62 1HG2 VAL 62 5.035 5.106 -8.989 425 HG23 VAL 62 2HG2 VAL 62 5.970 5.618 -10.385 426 H ASP 63 H ASP 63 1.026 7.166 -8.450 427 HA ASP 63 HA ASP 63 0.211 9.717 -9.706 428 HB3 ASP 63 2HB ASP 63 -0.968 6.961 -10.287 429 H VAL 64 H VAL 64 -2.237 10.042 -9.172 430 HA VAL 64 HA VAL 64 -2.875 9.131 -6.405 431 HB VAL 64 HB VAL 64 -4.200 11.353 -7.996 432 HG11 VAL 64 1HG1 VAL 64 -4.800 12.233 -5.775 433 HG12 VAL 64 2HG1 VAL 64 -5.382 10.573 -5.945 434 HG13 VAL 64 3HG1 VAL 64 -3.928 10.901 -4.984 435 HG21 VAL 64 3HG2 VAL 64 -1.792 11.684 -6.163 436 HG22 VAL 64 1HG2 VAL 64 -1.838 12.009 -7.917 437 HG23 VAL 64 2HG2 VAL 64 -2.791 12.994 -6.808 438 H SER 65 H SER 65 -3.918 8.779 -9.827 439 HA SER 65 HA SER 65 -6.705 8.429 -9.095 440 HB3 SER 65 2HB SER 65 -5.308 7.909 -11.727 441 HG SER 65 HG SER 65 -7.257 8.513 -12.606 442 H SER 66 H SER 66 -3.948 6.276 -9.202 443 HA SER 66 HA SER 66 -5.580 3.853 -9.519 444 HB3 SER 66 2HB SER 66 -3.498 2.724 -9.480 445 HG SER 66 HG SER 66 -3.837 3.882 -11.350 446 H VAL 67 H VAL 67 -5.123 5.978 -6.858 447 HA VAL 67 HA VAL 67 -4.742 4.138 -4.725 448 HB VAL 67 HB VAL 67 -6.234 6.784 -4.862 449 HG11 VAL 67 1HG1 VAL 67 -5.490 5.135 -2.416 450 HG12 VAL 67 2HG1 VAL 67 -6.099 6.794 -2.384 451 HG13 VAL 67 3HG1 VAL 67 -7.149 5.498 -2.965 452 HG21 VAL 67 3HG2 VAL 67 -4.277 7.654 -3.707 453 HG22 VAL 67 1HG2 VAL 67 -3.519 6.049 -3.679 454 HG23 VAL 67 2HG2 VAL 67 -3.773 6.910 -5.216 455 HA PRO 68 HA PRO 68 -9.422 3.306 -4.691 456 HB3 PRO 68 2HB PRO 68 -10.747 4.991 -5.472 457 HG3 PRO 68 2HG PRO 68 -9.993 6.381 -7.265 458 HD3 PRO 68 2HD PRO 68 -8.364 6.366 -5.521 459 H LEU 69 H LEU 69 -7.317 2.752 -7.465 460 HA LEU 69 HA LEU 69 -8.728 0.459 -8.510 461 HB3 LEU 69 2HB LEU 69 -5.737 1.014 -8.474 462 HG LEU 69 HG LEU 69 -6.035 -1.253 -9.083 463 HD11 LEU 69 1HD1 LEU 69 -7.446 -1.941 -11.030 464 HD12 LEU 69 2HD1 LEU 69 -8.203 -0.342 -11.004 465 HD13 LEU 69 3HD1 LEU 69 -8.397 -1.450 -9.627 466 HD21 LEU 69 3HD2 LEU 69 -5.137 -1.094 -11.369 467 HD22 LEU 69 1HD2 LEU 69 -4.550 0.265 -10.378 468 HD23 LEU 69 2HD2 LEU 69 -5.851 0.531 -11.543 469 H ALA 70 H ALA 70 -5.902 0.768 -6.386 470 HA ALA 70 HA ALA 70 -5.722 -1.828 -5.433 471 HB1 ALA 70 1HB ALA 70 -5.170 0.714 -3.864 472 HB2 ALA 70 2HB ALA 70 -4.548 -0.907 -3.478 473 HB3 ALA 70 3HB ALA 70 -4.038 -0.114 -4.980 474 H ILE 71 H ILE 71 -7.965 0.681 -4.260 475 HA ILE 71 HA ILE 71 -9.010 -0.715 -1.991 476 HB ILE 71 HB ILE 71 -10.158 1.397 -3.859 477 HG13 ILE 71 2HG1 ILE 71 -8.256 2.064 -2.455 478 HG21 ILE 71 1HG2 ILE 71 -12.100 0.263 -3.135 479 HG22 ILE 71 2HG2 ILE 71 -11.503 0.097 -1.484 480 HG23 ILE 71 3HG2 ILE 71 -11.983 1.692 -2.118 481 HD11 ILE 71 3HD1 ILE 71 -10.710 3.234 -1.115 482 HD12 ILE 71 1HD1 ILE 71 -9.100 3.942 -1.270 483 HD13 ILE 71 2HD1 ILE 71 -10.126 3.767 -2.709 484 H GLY 72 H GLY 72 -10.060 -0.620 -5.433 485 HA2 GLY 72 1HA GLY 72 -12.070 -2.645 -5.143 486 HA3 GLY 72 2HA GLY 72 -11.411 -1.992 -6.643 487 H LEU 73 H LEU 73 -8.706 -3.015 -4.909 488 HA LEU 73 HA LEU 73 -8.753 -5.712 -6.178 489 HB3 LEU 73 2HB LEU 73 -6.391 -5.755 -5.969 490 HG LEU 73 HG LEU 73 -6.792 -2.964 -6.999 491 HD11 LEU 73 1HD1 LEU 73 -4.978 -5.191 -7.909 492 HD12 LEU 73 2HD1 LEU 73 -4.516 -3.856 -6.829 493 HD13 LEU 73 3HD1 LEU 73 -4.989 -3.518 -8.496 494 HD21 LEU 73 3HD2 LEU 73 -7.512 -5.484 -8.505 495 HD22 LEU 73 1HD2 LEU 73 -7.252 -3.901 -9.256 496 HD23 LEU 73 2HD2 LEU 73 -8.585 -4.121 -8.117 497 H THR 74 H THR 74 -9.559 -4.395 -3.199 498 HA THR 74 HA THR 74 -8.090 -5.628 -1.304 499 HB THR 74 HB THR 74 -9.772 -3.997 -0.820 500 HG1 THR 74 1HG THR 74 -9.012 -5.703 0.723 501 HG21 THR 74 3HG2 THR 74 -12.151 -4.630 -0.543 502 HG22 THR 74 1HG2 THR 74 -11.826 -6.226 -1.229 503 HG23 THR 74 2HG2 THR 74 -11.650 -4.773 -2.233 504 H GLY 75 H GLY 75 -10.317 -7.348 -3.341 505 HA2 GLY 75 1HA GLY 75 -10.250 -9.765 -1.611 506 HA3 GLY 75 2HA GLY 75 -11.396 -9.436 -2.909 507 H GLN 76 H GLN 76 -8.270 -8.641 -4.000 508 HA GLN 76 HA GLN 76 -7.856 -11.223 -5.394 509 HB3 GLN 76 2HB GLN 76 -5.998 -10.075 -6.469 510 HG3 GLN 76 2HG GLN 76 -8.418 -8.217 -6.495 511 HE21 GLN 76 1HE2 GLN 76 -8.505 -8.491 -9.487 512 HE22 GLN 76 2HE2 GLN 76 -7.167 -7.459 -9.979 513 H ARG 77 H ARG 77 -5.331 -11.881 -5.199 514 HA ARG 77 HA ARG 77 -4.204 -11.261 -2.632 515 HB3 ARG 77 2HB ARG 77 -5.528 -12.912 -1.683 516 HG3 ARG 77 2HG ARG 77 -5.044 -14.512 -4.194 517 HD3 ARG 77 2HD ARG 77 -4.400 -15.899 -2.248 518 HE ARG 77 HE ARG 77 -7.019 -15.065 -1.192 519 HH11 ARG 77 1HH1 ARG 77 -4.738 -17.830 -1.053 520 HH12 ARG 77 2HH1 ARG 77 -5.115 -18.168 0.601 521 HH21 ARG 77 1HH2 ARG 77 -7.762 -15.827 0.682 522 HH22 ARG 77 2HH2 ARG 77 -7.163 -17.271 1.428 523 H VAL 78 H VAL 78 -2.074 -11.187 -2.823 524 HA VAL 78 HA VAL 78 -0.739 -12.358 -5.154 525 HB VAL 78 HB VAL 78 0.390 -10.709 -2.848 526 HG11 VAL 78 1HG1 VAL 78 1.550 -11.457 -5.582 527 HG12 VAL 78 2HG1 VAL 78 2.274 -10.311 -4.430 528 HG13 VAL 78 3HG1 VAL 78 2.140 -12.012 -3.998 529 HG21 VAL 78 3HG2 VAL 78 0.344 -8.864 -4.498 530 HG22 VAL 78 1HG2 VAL 78 -0.569 -9.925 -5.618 531 HG23 VAL 78 2HG2 VAL 78 -1.270 -9.412 -4.076 532 H LEU 79 H LEU 79 -1.031 -14.515 -4.850 533 HA LEU 79 HA LEU 79 -0.377 -16.628 -4.096 534 HB3 LEU 79 2HB LEU 79 1.960 -16.798 -3.561 535 HG LEU 79 HG LEU 79 1.565 -14.298 -5.296 536 HD11 LEU 79 1HD1 LEU 79 4.137 -15.762 -4.693 537 HD12 LEU 79 2HD1 LEU 79 3.707 -14.103 -4.244 538 HD13 LEU 79 3HD1 LEU 79 3.881 -14.516 -5.946 539 HD21 LEU 79 3HD2 LEU 79 2.222 -15.853 -7.126 540 HD22 LEU 79 1HD2 LEU 79 0.702 -16.281 -6.347 541 HD23 LEU 79 2HD2 LEU 79 2.170 -17.201 -5.961 542 H GLY 80 H GLY 80 -2.154 -15.330 -2.459 543 HA2 GLY 80 1HA GLY 80 -3.207 -16.102 -0.446 544 HA3 GLY 80 2HA GLY 80 -1.643 -16.562 0.186 545 H VAL 81 H VAL 81 -1.210 -13.480 -1.088 546 HA VAL 81 HA VAL 81 -1.722 -12.150 1.499 547 HB VAL 81 HB VAL 81 0.167 -11.491 -0.782 548 HG11 VAL 81 1HG1 VAL 81 -0.733 -9.897 1.523 549 HG12 VAL 81 2HG1 VAL 81 1.037 -10.007 1.284 550 HG13 VAL 81 3HG1 VAL 81 -0.001 -9.414 -0.005 551 HG21 VAL 81 3HG2 VAL 81 0.839 -13.477 0.481 552 HG22 VAL 81 1HG2 VAL 81 1.899 -12.122 0.871 553 HG23 VAL 81 2HG2 VAL 81 0.601 -12.608 2.002 554 HA PRO 82 HA PRO 82 -4.926 -9.993 -1.073 555 HB3 PRO 82 2HB PRO 82 -6.657 -11.172 -0.073 556 HG3 PRO 82 2HG PRO 82 -6.406 -12.136 2.093 557 HD3 PRO 82 2HD PRO 82 -4.582 -12.957 0.859 558 H ILE 83 H ILE 83 -6.118 -7.811 -0.201 559 HA ILE 83 HA ILE 83 -4.163 -6.254 1.380 560 HB ILE 83 HB ILE 83 -3.539 -5.978 -0.934 561 HG13 ILE 83 2HG1 ILE 83 -3.346 -4.113 0.696 562 HG21 ILE 83 1HG2 ILE 83 -5.844 -6.398 -1.985 563 HG22 ILE 83 2HG2 ILE 83 -6.197 -4.692 -1.613 564 HG23 ILE 83 3HG2 ILE 83 -4.866 -5.126 -2.693 565 HD11 ILE 83 3HD1 ILE 83 -2.891 -2.336 -0.873 566 HD12 ILE 83 1HD1 ILE 83 -2.365 -3.886 -1.569 567 HD13 ILE 83 2HD1 ILE 83 -3.869 -3.107 -2.128 568 H ILE 84 H ILE 84 -5.056 -4.286 2.335 569 HA ILE 84 HA ILE 84 -7.947 -4.587 2.927 570 HB ILE 84 HB ILE 84 -5.801 -2.960 4.365 571 HG13 ILE 84 2HG1 ILE 84 -6.038 -4.570 6.225 572 HG21 ILE 84 1HG2 ILE 84 -7.544 -2.826 6.185 573 HG22 ILE 84 2HG2 ILE 84 -8.000 -1.976 4.719 574 HG23 ILE 84 3HG2 ILE 84 -8.711 -3.548 5.054 575 HD11 ILE 84 3HD1 ILE 84 -8.182 -5.636 5.735 576 HD12 ILE 84 1HD1 ILE 84 -7.488 -6.363 4.277 577 HD13 ILE 84 2HD1 ILE 84 -6.874 -6.809 5.887 578 H VAL 85 H VAL 85 -9.323 -2.998 2.309 579 HA VAL 85 HA VAL 85 -8.908 -1.110 0.341 580 HB VAL 85 HB VAL 85 -10.887 -1.510 2.580 581 HG11 VAL 85 1HG1 VAL 85 -12.471 0.060 1.350 582 HG12 VAL 85 2HG1 VAL 85 -11.149 0.836 2.245 583 HG13 VAL 85 3HG1 VAL 85 -11.040 0.692 0.504 584 HG21 VAL 85 3HG2 VAL 85 -10.963 -3.181 0.933 585 HG22 VAL 85 1HG2 VAL 85 -12.378 -2.174 0.696 586 HG23 VAL 85 2HG2 VAL 85 -10.981 -2.008 -0.396 587 H GLN 86 H GLN 86 -7.872 -0.752 3.601 588 HA GLN 86 HA GLN 86 -8.306 1.777 4.367 589 HB3 GLN 86 2HB GLN 86 -5.748 1.630 5.227 590 HG3 GLN 86 2HG GLN 86 -6.564 -0.060 6.970 591 HE21 GLN 86 1HE2 GLN 86 -5.696 2.318 7.493 592 HE22 GLN 86 2HE2 GLN 86 -6.917 3.371 8.122 593 H ALA 87 H ALA 87 -5.657 0.975 2.114 594 HA ALA 87 HA ALA 87 -4.389 2.283 0.727 595 HB1 ALA 87 1HB ALA 87 -5.691 3.750 -0.701 596 HB2 ALA 87 2HB ALA 87 -6.578 2.248 -0.367 597 HB3 ALA 87 3HB ALA 87 -7.024 3.754 0.469 598 H SER 88 H SER 88 -3.754 2.903 3.210 599 HA SER 88 HA SER 88 -2.718 4.357 4.604 600 HB3 SER 88 2HB SER 88 -1.429 4.969 2.565 601 HG SER 88 HG SER 88 -3.089 6.247 1.526 602 H GLN 89 H GLN 89 -3.198 7.241 4.616 603 HA GLN 89 HA GLN 89 -4.318 8.523 6.038 604 HB3 GLN 89 2HB GLN 89 -6.104 9.464 4.985 605 HG3 GLN 89 2HG GLN 89 -4.737 8.525 2.502 606 HE21 GLN 89 1HE2 GLN 89 -3.534 11.425 2.650 607 HE22 GLN 89 2HE2 GLN 89 -4.928 12.445 2.324 608 H ALA 90 H ALA 90 -7.159 8.823 6.421 609 HA ALA 90 HA ALA 90 -8.132 6.553 7.859 610 HB1 ALA 90 1HB ALA 90 -7.533 8.962 9.611 611 HB2 ALA 90 2HB ALA 90 -8.046 7.352 10.095 612 HB3 ALA 90 3HB ALA 90 -6.392 7.578 9.495 613 H GLU 91 H GLU 91 -9.007 8.602 5.878 614 HA GLU 91 HA GLU 91 -10.464 10.273 5.494 615 HB3 GLU 91 2HB GLU 91 -12.607 9.389 7.360 616 HG3 GLU 91 2HG GLU 91 -12.975 8.631 4.604 617 H LYS 92 H LYS 92 -8.583 11.246 6.969 618 HA LYS 92 HA LYS 92 -9.873 13.303 8.599 619 HB3 LYS 92 2HB LYS 92 -8.299 13.174 10.474 620 HG3 LYS 92 2HG LYS 92 -9.582 10.440 10.229 621 HD3 LYS 92 2HD LYS 92 -9.239 12.362 12.565 622 HE3 LYS 92 2HE LYS 92 -10.511 11.088 13.877 623 HZ1 LYS 92 3HZ LYS 92 -11.946 10.984 11.751 624 HZ2 LYS 92 1HZ LYS 92 -12.228 9.833 12.901 625 HZ3 LYS 92 2HZ LYS 92 -11.380 9.470 11.568 626 H ASN 93 H ASN 93 -6.720 12.030 8.011 627 HA ASN 93 HA ASN 93 -4.696 12.882 7.649 628 HB3 ASN 93 2HB ASN 93 -5.903 14.656 5.523 629 HD21 ASN 93 1HD2 ASN 93 -4.305 14.086 3.521 630 HD22 ASN 93 2HD2 ASN 93 -2.585 14.304 3.905 631 H ARG 94 H ARG 94 -5.128 13.769 9.925 632 HA ARG 94 HA ARG 94 -4.249 16.526 9.951 633 HB3 ARG 94 2HB ARG 94 -6.652 15.615 11.568 634 HG3 ARG 94 2HG ARG 94 -6.011 18.494 11.021 635 HD3 ARG 94 2HD ARG 94 -6.955 18.920 13.119 636 HE ARG 94 HE ARG 94 -8.416 16.843 11.680 637 HH11 ARG 94 1HH1 ARG 94 -8.585 19.224 14.311 638 HH12 ARG 94 2HH1 ARG 94 -10.254 18.948 14.642 639 HH21 ARG 94 1HH2 ARG 94 -10.641 16.418 12.205 640 HH22 ARG 94 2HH2 ARG 94 -11.471 17.500 13.273 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -14.059 11.425 -8.163 2 HA2 GLY 1 1HA GLY 1 -12.533 10.222 -6.711 3 HA3 GLY 1 2HA GLY 1 -11.382 10.166 -8.055 4 H HIS 2 H HIS 2 -9.702 11.359 -7.148 5 HA HIS 2 HA HIS 2 -8.536 13.234 -6.511 6 HB3 HIS 2 2HB HIS 2 -8.248 13.275 -8.751 7 HD1 HIS 2 1HD HIS 2 -9.308 12.227 -10.844 8 HD2 HIS 2 2HD HIS 2 -11.833 14.888 -8.756 9 HE1 HIS 2 1HE HIS 2 -11.593 12.032 -11.922 10 H MET 3 H MET 3 -10.423 13.274 -4.579 11 HA MET 3 HA MET 3 -12.059 15.666 -4.833 12 HB3 MET 3 2HB MET 3 -12.855 15.125 -2.579 13 HG3 MET 3 2HG MET 3 -13.064 12.694 -4.359 14 HE1 MET 3 3HE MET 3 -15.196 11.574 -1.302 15 HE2 MET 3 1HE MET 3 -14.022 11.104 -2.549 16 HE3 MET 3 2HE MET 3 -13.575 12.301 -1.308 17 H ASN 4 H ASN 4 -10.537 17.211 -5.133 18 HA ASN 4 HA ASN 4 -9.497 19.117 -4.569 19 HB3 ASN 4 2HB ASN 4 -9.848 20.148 -2.425 20 HD21 ASN 4 1HD2 ASN 4 -12.498 18.459 -1.288 21 HD22 ASN 4 2HD2 ASN 4 -13.696 19.127 -2.360 22 H LEU 5 H LEU 5 -7.734 17.556 -5.218 23 HA LEU 5 HA LEU 5 -6.088 16.079 -3.591 24 HB3 LEU 5 2HB LEU 5 -4.778 17.628 -5.809 25 HG LEU 5 HG LEU 5 -3.964 15.559 -6.556 26 HD11 LEU 5 1HD1 LEU 5 -3.933 15.260 -3.530 27 HD12 LEU 5 2HD1 LEU 5 -2.879 16.336 -4.482 28 HD13 LEU 5 3HD1 LEU 5 -2.792 14.586 -4.680 29 HD21 LEU 5 3HD2 LEU 5 -6.095 14.287 -6.437 30 HD22 LEU 5 1HD2 LEU 5 -5.862 14.088 -4.691 31 HD23 LEU 5 2HD2 LEU 5 -4.712 13.363 -5.816 32 H THR 6 H THR 6 -5.206 16.597 -1.784 33 HA THR 6 HA THR 6 -4.336 19.162 -0.964 34 HB THR 6 HB THR 6 -4.911 18.092 0.840 35 HG1 THR 6 1HG THR 6 -3.300 17.228 2.026 36 HG21 THR 6 3HG2 THR 6 -4.614 15.497 -0.550 37 HG22 THR 6 1HG2 THR 6 -5.954 16.201 0.333 38 HG23 THR 6 2HG2 THR 6 -4.588 15.523 1.227 39 HA PRO 7 HA PRO 7 -0.102 19.160 -2.389 40 HB3 PRO 7 2HB PRO 7 0.006 21.358 -1.709 41 HG3 PRO 7 2HG PRO 7 -0.990 22.099 0.337 42 HD3 PRO 7 2HD PRO 7 -2.723 21.042 -0.872 43 H GLU 8 H GLU 8 -1.066 17.789 0.695 44 HA GLU 8 HA GLU 8 1.608 16.732 1.327 45 HB3 GLU 8 2HB GLU 8 0.184 15.442 3.024 46 HG3 GLU 8 2HG GLU 8 -0.338 17.983 4.040 47 H GLU 9 H GLU 9 -1.634 15.413 0.257 48 HA GLU 9 HA GLU 9 -0.868 12.792 0.069 49 HB3 GLU 9 2HB GLU 9 -2.818 14.026 -1.885 50 HG3 GLU 9 2HG GLU 9 -3.122 11.827 0.181 51 H ARG 10 H ARG 10 -0.707 15.356 -2.402 52 HA ARG 10 HA ARG 10 0.280 13.835 -4.598 53 HB3 ARG 10 2HB ARG 10 -0.616 16.280 -4.502 54 HG3 ARG 10 2HG ARG 10 2.388 16.420 -4.478 55 HD3 ARG 10 2HD ARG 10 0.463 18.602 -5.227 56 HE ARG 10 HE ARG 10 2.762 18.916 -3.800 57 HH11 ARG 10 1HH1 ARG 10 2.167 19.643 -7.271 58 HH12 ARG 10 2HH1 ARG 10 2.676 21.267 -7.049 59 HH21 ARG 10 1HH2 ARG 10 3.916 20.689 -3.757 60 HH22 ARG 10 2HH2 ARG 10 4.171 21.725 -5.146 61 H ASP 11 H ASP 11 1.926 14.767 -1.710 62 HA ASP 11 HA ASP 11 4.574 14.441 -3.002 63 HB3 ASP 11 2HB ASP 11 4.163 15.578 -0.252 64 H ALA 12 H ALA 12 2.361 13.077 -0.792 65 HA ALA 12 HA ALA 12 4.183 11.377 0.702 66 HB1 ALA 12 1HB ALA 12 1.134 11.471 0.542 67 HB2 ALA 12 2HB ALA 12 2.066 10.494 1.684 68 HB3 ALA 12 3HB ALA 12 2.162 12.258 1.761 69 H ARG 13 H ARG 13 1.596 10.804 -1.752 70 HA ARG 13 HA ARG 13 1.336 9.238 -3.381 71 HB3 ARG 13 2HB ARG 13 3.438 8.531 -4.525 72 HG3 ARG 13 2HG ARG 13 3.324 11.434 -3.604 73 HD3 ARG 13 2HD ARG 13 4.901 10.079 -5.803 74 HE ARG 13 HE ARG 13 3.754 12.739 -5.738 75 HH11 ARG 13 1HH1 ARG 13 6.915 11.506 -6.432 76 HH12 ARG 13 2HH1 ARG 13 6.929 11.812 -8.149 77 HH21 ARG 13 1HH2 ARG 13 3.848 13.682 -7.875 78 HH22 ARG 13 2HH2 ARG 13 5.158 13.316 -8.944 79 H THR 14 H THR 14 1.755 8.003 -0.428 80 HA THR 14 HA THR 14 2.800 5.347 -1.294 81 HB THR 14 HB THR 14 2.826 6.924 1.306 82 HG1 THR 14 1HG THR 14 4.272 7.604 -0.257 83 HG21 THR 14 3HG2 THR 14 2.782 4.558 1.958 84 HG22 THR 14 1HG2 THR 14 4.358 5.301 2.240 85 HG23 THR 14 2HG2 THR 14 4.142 4.227 0.847 86 H VAL 15 H VAL 15 1.817 3.353 -0.388 87 HA VAL 15 HA VAL 15 -0.963 3.769 0.648 88 HB VAL 15 HB VAL 15 -1.531 1.577 -0.329 89 HG11 VAL 15 1HG1 VAL 15 -2.141 3.666 -1.461 90 HG12 VAL 15 2HG1 VAL 15 -0.599 3.660 -2.343 91 HG13 VAL 15 3HG1 VAL 15 -1.808 2.389 -2.629 92 HG21 VAL 15 3HG2 VAL 15 -0.136 0.644 -2.126 93 HG22 VAL 15 1HG2 VAL 15 1.157 1.791 -1.763 94 HG23 VAL 15 2HG2 VAL 15 0.693 0.561 -0.563 95 H PHE 16 H PHE 16 -1.581 1.493 1.859 96 HA PHE 16 HA PHE 16 0.591 0.715 3.629 97 HB3 PHE 16 2HB PHE 16 -2.043 1.911 4.513 98 HD1 PHE 16 1HD PHE 16 1.016 0.075 5.710 99 HD2 PHE 16 2HD PHE 16 -2.769 1.840 6.776 100 HE1 PHE 16 1HE PHE 16 0.987 -1.255 7.774 101 HE2 PHE 16 2HE PHE 16 -2.754 0.558 8.898 102 HZ PHE 16 HZ PHE 16 -0.900 -1.050 9.371 103 H CYS 17 H CYS 17 0.371 -1.380 4.061 104 HA CYS 17 HA CYS 17 -2.056 -2.853 3.209 105 HB3 CYS 17 2HB CYS 17 -0.508 -4.500 2.298 106 HG CYS 17 HG CYS 17 0.570 -3.406 0.249 107 H MET 18 H MET 18 -2.886 -3.973 4.950 108 HA MET 18 HA MET 18 -1.146 -4.404 7.322 109 HB3 MET 18 2HB MET 18 -4.053 -3.537 7.301 110 HG3 MET 18 2HG MET 18 -1.957 -3.763 9.484 111 HE1 MET 18 3HE MET 18 -5.797 -3.217 9.840 112 HE2 MET 18 1HE MET 18 -5.932 -1.476 10.180 113 HE3 MET 18 2HE MET 18 -5.470 -2.021 8.558 114 H GLN 19 H GLN 19 -2.114 -6.256 5.040 115 HA GLN 19 HA GLN 19 -3.231 -8.444 6.668 116 HB3 GLN 19 2HB GLN 19 -4.531 -7.623 4.054 117 HG3 GLN 19 2HG GLN 19 -5.368 -9.370 6.416 118 HE21 GLN 19 1HE2 GLN 19 -6.565 -8.080 3.242 119 HE22 GLN 19 2HE2 GLN 19 -8.249 -8.058 3.705 120 H LEU 20 H LEU 20 -0.569 -8.011 5.707 121 HA LEU 20 HA LEU 20 -0.247 -9.200 3.112 122 HB3 LEU 20 2HB LEU 20 2.155 -9.420 3.729 123 HG LEU 20 HG LEU 20 1.157 -6.686 4.622 124 HD11 LEU 20 1HD1 LEU 20 3.546 -7.190 5.020 125 HD12 LEU 20 2HD1 LEU 20 3.340 -5.964 3.769 126 HD13 LEU 20 3HD1 LEU 20 3.750 -7.623 3.307 127 HD21 LEU 20 3HD2 LEU 20 0.072 -7.069 2.510 128 HD22 LEU 20 1HD2 LEU 20 1.558 -7.768 1.815 129 HD23 LEU 20 2HD2 LEU 20 1.476 -6.040 2.200 130 H ALA 21 H ALA 21 0.410 -11.202 2.479 131 HA ALA 21 HA ALA 21 -0.500 -13.450 4.013 132 HB1 ALA 21 1HB ALA 21 1.118 -13.238 1.431 133 HB2 ALA 21 2HB ALA 21 0.567 -14.768 2.131 134 HB3 ALA 21 3HB ALA 21 -0.629 -13.578 1.613 135 H ALA 22 H ALA 22 0.926 -15.276 4.322 136 HA ALA 22 HA ALA 22 2.823 -14.323 6.346 137 HB1 ALA 22 1HB ALA 22 1.015 -16.045 6.818 138 HB2 ALA 22 2HB ALA 22 1.976 -17.193 5.834 139 HB3 ALA 22 3HB ALA 22 2.642 -16.531 7.330 140 H ARG 23 H ARG 23 3.292 -15.546 3.192 141 HA ARG 23 HA ARG 23 6.163 -15.306 3.744 142 HB3 ARG 23 2HB ARG 23 5.255 -17.728 2.120 143 HG3 ARG 23 2HG ARG 23 7.434 -18.618 2.944 144 HD3 ARG 23 2HD ARG 23 9.070 -17.258 1.684 145 HE ARG 23 HE ARG 23 6.710 -17.136 -0.044 146 HH11 ARG 23 1HH1 ARG 23 9.189 -19.245 1.376 147 HH12 ARG 23 2HH1 ARG 23 8.939 -20.572 0.312 148 HH21 ARG 23 1HH2 ARG 23 6.330 -18.885 -1.530 149 HH22 ARG 23 2HH2 ARG 23 7.252 -20.352 -1.404 150 H ILE 24 H ILE 24 5.221 -13.273 2.759 151 HA ILE 24 HA ILE 24 5.062 -13.479 -0.224 152 HB ILE 24 HB ILE 24 3.219 -12.419 0.884 153 HG13 ILE 24 2HG1 ILE 24 4.296 -11.595 -1.408 154 HG21 ILE 24 1HG2 ILE 24 5.116 -10.235 1.844 155 HG22 ILE 24 2HG2 ILE 24 3.354 -10.202 1.943 156 HG23 ILE 24 3HG2 ILE 24 4.250 -11.392 2.873 157 HD11 ILE 24 3HD1 ILE 24 2.222 -9.872 -0.057 158 HD12 ILE 24 1HD1 ILE 24 2.437 -10.201 -1.796 159 HD13 ILE 24 2HD1 ILE 24 1.891 -11.491 -0.712 160 H ARG 25 H ARG 25 6.247 -11.742 -1.470 161 HA ARG 25 HA ARG 25 8.882 -10.982 -0.279 162 HB3 ARG 25 2HB ARG 25 9.474 -10.649 -2.751 163 HG3 ARG 25 2HG ARG 25 8.747 -13.522 -2.024 164 HD3 ARG 25 2HD ARG 25 9.981 -12.211 -4.376 165 HE ARG 25 HE ARG 25 11.397 -14.431 -3.008 166 HH11 ARG 25 1HH1 ARG 25 11.420 -11.989 -5.607 167 HH12 ARG 25 2HH1 ARG 25 13.168 -11.942 -5.703 168 HH21 ARG 25 1HH2 ARG 25 13.705 -14.314 -3.184 169 HH22 ARG 25 2HH2 ARG 25 14.431 -13.355 -4.445 170 HA PRO 26 HA PRO 26 7.366 -6.781 -0.851 171 HB3 PRO 26 2HB PRO 26 9.276 -5.866 -0.045 172 HG3 PRO 26 2HG PRO 26 11.359 -6.962 -0.317 173 HD3 PRO 26 2HD PRO 26 9.896 -8.660 0.457 174 H ARG 27 H ARG 27 9.268 -8.270 -3.518 175 HA ARG 27 HA ARG 27 8.347 -6.526 -5.543 176 HB3 ARG 27 2HB ARG 27 9.276 -9.410 -5.768 177 HG3 ARG 27 2HG ARG 27 8.942 -7.258 -7.915 178 HD3 ARG 27 2HD ARG 27 10.573 -9.824 -7.893 179 HE ARG 27 HE ARG 27 9.321 -9.017 -10.176 180 HH11 ARG 27 1HH1 ARG 27 12.757 -9.043 -9.188 181 HH12 ARG 27 2HH1 ARG 27 13.313 -9.270 -10.831 182 HH21 ARG 27 1HH2 ARG 27 10.075 -9.408 -12.207 183 HH22 ARG 27 2HH2 ARG 27 11.755 -9.628 -12.581 184 H ASP 28 H ASP 28 6.695 -9.352 -4.071 185 HA ASP 28 HA ASP 28 4.725 -9.531 -6.201 186 HB3 ASP 28 2HB ASP 28 3.427 -10.856 -4.435 187 H LEU 29 H LEU 29 5.165 -7.219 -3.704 188 HA LEU 29 HA LEU 29 2.300 -6.408 -3.790 189 HB3 LEU 29 2HB LEU 29 3.022 -4.620 -2.256 190 HG LEU 29 HG LEU 29 3.015 -5.766 -0.273 191 HD11 LEU 29 1HD1 LEU 29 1.128 -6.608 -1.723 192 HD12 LEU 29 2HD1 LEU 29 1.584 -7.704 -0.435 193 HD13 LEU 29 3HD1 LEU 29 2.099 -8.022 -2.109 194 HD21 LEU 29 3HD2 LEU 29 4.008 -7.900 0.225 195 HD22 LEU 29 1HD2 LEU 29 5.224 -6.893 -0.565 196 HD23 LEU 29 2HD2 LEU 29 4.403 -8.185 -1.475 197 H GLU 30 H GLU 30 5.612 -5.286 -4.724 198 HA GLU 30 HA GLU 30 4.549 -2.944 -5.886 199 HB3 GLU 30 2HB GLU 30 7.010 -3.564 -5.203 200 HG3 GLU 30 2HG GLU 30 7.101 -4.006 -8.220 201 H GLU 31 H GLU 31 5.130 -6.141 -7.264 202 HA GLU 31 HA GLU 31 4.601 -5.469 -9.984 203 HB3 GLU 31 2HB GLU 31 4.041 -8.102 -9.931 204 HG3 GLU 31 2HG GLU 31 6.567 -8.499 -9.675 205 H PHE 32 H PHE 32 2.525 -6.143 -7.307 206 HA PHE 32 HA PHE 32 0.084 -6.622 -8.837 207 HB3 PHE 32 2HB PHE 32 0.421 -5.504 -6.043 208 HD1 PHE 32 1HD PHE 32 -1.924 -7.077 -8.595 209 HD2 PHE 32 2HD PHE 32 -1.547 -4.987 -4.813 210 HE1 PHE 32 1HE PHE 32 -4.307 -6.976 -8.432 211 HE2 PHE 32 2HE PHE 32 -4.006 -4.931 -4.635 212 HZ PHE 32 HZ PHE 32 -5.416 -5.978 -6.412 213 H PHE 33 H PHE 33 1.330 -3.756 -7.075 214 HA PHE 33 HA PHE 33 -0.653 -2.042 -8.058 215 HB3 PHE 33 2HB PHE 33 0.726 -0.266 -7.104 216 HD1 PHE 33 2HD PHE 33 -1.450 -2.220 -6.017 217 HD2 PHE 33 1HD PHE 33 2.513 -1.124 -4.666 218 HE1 PHE 33 2HE PHE 33 -2.206 -2.379 -3.736 219 HE2 PHE 33 1HE PHE 33 1.736 -1.376 -2.325 220 HZ PHE 33 HZ PHE 33 -0.635 -1.910 -1.853 221 H SER 34 H SER 34 2.511 -2.781 -9.637 222 HA SER 34 HA SER 34 2.291 -0.546 -11.410 223 HB3 SER 34 2HB SER 34 4.412 -1.291 -11.323 224 HG SER 34 HG SER 34 3.786 -3.978 -11.893 225 H THR 35 H THR 35 0.143 -3.165 -11.243 226 HA THR 35 HA THR 35 -0.564 -3.398 -13.973 227 HB THR 35 HB THR 35 -1.399 -4.771 -12.089 228 HG1 THR 35 1HG THR 35 -2.403 -4.925 -13.993 229 HG21 THR 35 3HG2 THR 35 -3.170 -4.142 -10.682 230 HG22 THR 35 1HG2 THR 35 -3.497 -2.656 -11.573 231 HG23 THR 35 2HG2 THR 35 -2.039 -2.780 -10.576 232 H VAL 36 H VAL 36 -0.877 -0.684 -11.727 233 HA VAL 36 HA VAL 36 -2.084 0.953 -13.888 234 HB VAL 36 HB VAL 36 -3.637 1.934 -12.154 235 HG11 VAL 36 1HG1 VAL 36 -5.354 0.324 -12.501 236 HG12 VAL 36 2HG1 VAL 36 -4.316 0.286 -13.938 237 HG13 VAL 36 3HG1 VAL 36 -4.190 -0.987 -12.736 238 HG21 VAL 36 3HG2 VAL 36 -4.254 0.495 -10.244 239 HG22 VAL 36 1HG2 VAL 36 -2.895 -0.568 -10.566 240 HG23 VAL 36 2HG2 VAL 36 -2.577 1.120 -10.124 241 H GLY 37 H GLY 37 0.592 0.907 -13.319 242 HA2 GLY 37 1HA GLY 37 1.481 3.333 -13.523 243 HA3 GLY 37 2HA GLY 37 1.193 3.374 -11.775 244 H LYS 38 H LYS 38 3.317 3.342 -11.001 245 HA LYS 38 HA LYS 38 4.729 0.872 -11.345 246 HB3 LYS 38 2HB LYS 38 5.858 1.846 -13.142 247 HG3 LYS 38 2HG LYS 38 5.819 4.451 -11.598 248 HD3 LYS 38 2HD LYS 38 8.049 4.231 -12.468 249 HE3 LYS 38 2HE LYS 38 8.317 4.616 -14.975 250 HZ1 LYS 38 3HZ LYS 38 8.640 2.488 -15.454 251 HZ2 LYS 38 1HZ LYS 38 7.259 1.930 -14.865 252 HZ3 LYS 38 2HZ LYS 38 8.521 2.278 -13.820 253 H VAL 39 H VAL 39 6.466 0.731 -9.588 254 HA VAL 39 HA VAL 39 5.572 2.362 -7.261 255 HB VAL 39 HB VAL 39 7.029 -0.286 -7.536 256 HG11 VAL 39 1HG1 VAL 39 6.404 1.297 -5.014 257 HG12 VAL 39 2HG1 VAL 39 6.889 -0.411 -5.049 258 HG13 VAL 39 3HG1 VAL 39 8.015 0.827 -5.599 259 HG21 VAL 39 3HG2 VAL 39 4.929 -0.946 -6.181 260 HG22 VAL 39 1HG2 VAL 39 4.297 0.646 -6.509 261 HG23 VAL 39 2HG2 VAL 39 4.623 -0.470 -7.855 262 H ARG 40 H ARG 40 7.246 3.131 -5.747 263 HA ARG 40 HA ARG 40 9.655 4.098 -7.187 264 HB3 ARG 40 2HB ARG 40 8.037 5.650 -5.145 265 HG3 ARG 40 2HG ARG 40 10.289 6.318 -7.063 266 HD3 ARG 40 2HD ARG 40 8.041 8.115 -6.162 267 HE ARG 40 HE ARG 40 9.680 9.484 -5.381 268 HH11 ARG 40 1HH1 ARG 40 10.659 8.466 -8.673 269 HH12 ARG 40 2HH1 ARG 40 11.837 9.714 -8.844 270 HH21 ARG 40 1HH2 ARG 40 11.232 11.002 -5.568 271 HH22 ARG 40 2HH2 ARG 40 12.351 11.056 -6.907 272 H ASP 41 H ASP 41 8.339 2.846 -4.038 273 HA ASP 41 HA ASP 41 10.734 1.409 -3.772 274 HB3 ASP 41 2HB ASP 41 10.366 3.472 -1.551 275 H VAL 42 H VAL 42 10.586 0.119 -1.553 276 HA VAL 42 HA VAL 42 7.767 -0.391 -0.785 277 HB VAL 42 HB VAL 42 9.819 -2.567 -1.392 278 HG11 VAL 42 1HG1 VAL 42 7.774 -4.018 -1.436 279 HG12 VAL 42 2HG1 VAL 42 8.058 -3.240 0.132 280 HG13 VAL 42 3HG1 VAL 42 6.802 -2.629 -0.955 281 HG21 VAL 42 3HG2 VAL 42 8.632 -3.122 -3.459 282 HG22 VAL 42 1HG2 VAL 42 7.637 -1.665 -3.300 283 HG23 VAL 42 2HG2 VAL 42 9.383 -1.532 -3.561 284 H ARG 43 H ARG 43 7.626 -0.348 1.447 285 HA ARG 43 HA ARG 43 10.046 -0.932 3.102 286 HB3 ARG 43 2HB ARG 43 7.887 -0.024 4.720 287 HG3 ARG 43 2HG ARG 43 10.257 0.575 5.019 288 HD3 ARG 43 2HD ARG 43 9.766 2.498 2.698 289 HE ARG 43 HE ARG 43 12.268 2.119 4.243 290 HH11 ARG 43 1HH1 ARG 43 9.951 4.464 2.937 291 HH12 ARG 43 2HH1 ARG 43 10.220 5.661 4.146 292 HH21 ARG 43 1HH2 ARG 43 12.723 3.726 5.843 293 HH22 ARG 43 2HH2 ARG 43 11.730 5.131 5.989 294 H MET 44 H MET 44 9.391 -2.093 5.246 295 HA MET 44 HA MET 44 6.860 -3.301 5.476 296 HB3 MET 44 2HB MET 44 7.716 -4.998 3.984 297 HG3 MET 44 2HG MET 44 10.055 -5.151 5.895 298 HE1 MET 44 3HE MET 44 9.456 -8.007 2.386 299 HE2 MET 44 1HE MET 44 8.116 -6.991 2.975 300 HE3 MET 44 2HE MET 44 9.582 -6.237 2.310 301 H ILE 45 H ILE 45 6.614 -4.165 7.650 302 HA ILE 45 HA ILE 45 8.832 -3.331 9.465 303 HB ILE 45 HB ILE 45 5.884 -3.056 9.988 304 HG13 ILE 45 2HG1 ILE 45 7.844 -1.122 8.755 305 HG21 ILE 45 1HG2 ILE 45 8.294 -1.923 11.431 306 HG22 ILE 45 2HG2 ILE 45 6.598 -1.684 11.897 307 HG23 ILE 45 3HG2 ILE 45 7.318 -3.290 12.011 308 HD11 ILE 45 3HD1 ILE 45 4.794 -1.413 8.691 309 HD12 ILE 45 1HD1 ILE 45 5.732 -0.156 7.856 310 HD13 ILE 45 2HD1 ILE 45 5.920 -1.847 7.375 311 H SER 46 H SER 46 9.774 -5.244 9.934 312 HA SER 46 HA SER 46 8.200 -7.533 10.949 313 HB3 SER 46 2HB SER 46 10.266 -8.706 10.979 314 HG SER 46 HG SER 46 10.616 -8.653 8.733 315 H ASP 47 H ASP 47 7.473 -5.805 12.309 316 HA ASP 47 HA ASP 47 7.129 -4.474 13.961 317 HB3 ASP 47 2HB ASP 47 8.687 -6.081 15.880 318 H ARG 48 H ARG 48 8.262 -3.333 15.968 319 HA ARG 48 HA ARG 48 11.003 -2.348 15.204 320 HB3 ARG 48 2HB ARG 48 9.897 0.052 15.581 321 HG3 ARG 48 2HG ARG 48 9.043 0.008 13.125 322 HD3 ARG 48 2HD ARG 48 11.535 -0.586 12.310 323 HE ARG 48 HE ARG 48 11.412 1.835 13.987 324 HH11 ARG 48 1HH1 ARG 48 10.841 0.441 10.686 325 HH12 ARG 48 2HH1 ARG 48 10.345 1.972 10.057 326 HH21 ARG 48 1HH2 ARG 48 11.158 3.831 12.929 327 HH22 ARG 48 2HH2 ARG 48 10.922 3.889 11.208 328 H ASN 49 H ASN 49 8.316 -2.398 17.469 329 HA ASN 49 HA ASN 49 10.067 -1.748 19.787 330 HB3 ASN 49 2HB ASN 49 9.393 0.413 18.954 331 HD21 ASN 49 1HD2 ASN 49 6.064 -0.471 20.143 332 HD22 ASN 49 2HD2 ASN 49 5.319 -0.093 18.590 333 H SER 50 H SER 50 7.752 -3.667 18.473 334 HA SER 50 HA SER 50 6.379 -4.326 21.017 335 HB3 SER 50 2HB SER 50 4.688 -4.789 18.796 336 HG SER 50 HG SER 50 4.711 -2.533 20.555 337 H ARG 51 H ARG 51 5.024 -6.542 20.183 338 HA ARG 51 HA ARG 51 6.686 -8.030 18.279 339 HB3 ARG 51 2HB ARG 51 5.751 -9.324 20.860 340 HG3 ARG 51 2HG ARG 51 7.739 -10.527 18.930 341 HD3 ARG 51 2HD ARG 51 5.500 -11.592 20.690 342 HE ARG 51 HE ARG 51 5.322 -13.104 18.993 343 HH11 ARG 51 1HH1 ARG 51 8.787 -12.706 19.758 344 HH12 ARG 51 2HH1 ARG 51 9.284 -13.970 18.686 345 HH21 ARG 51 1HH2 ARG 51 6.062 -14.725 17.480 346 HH22 ARG 51 2HH2 ARG 51 7.722 -15.235 17.557 347 H ARG 52 H ARG 52 5.004 -7.331 16.876 348 HA ARG 52 HA ARG 52 2.387 -8.729 17.202 349 HB3 ARG 52 2HB ARG 52 1.335 -6.636 16.251 350 HG3 ARG 52 2HG ARG 52 2.474 -6.829 19.008 351 HD3 ARG 52 2HD ARG 52 2.851 -4.388 17.986 352 HE ARG 52 HE ARG 52 -0.005 -4.531 18.169 353 HH11 ARG 52 1HH1 ARG 52 2.631 -2.448 19.288 354 HH12 ARG 52 2HH1 ARG 52 1.659 -0.998 19.278 355 HH21 ARG 52 1HH2 ARG 52 -1.300 -2.735 18.331 356 HH22 ARG 52 2HH2 ARG 52 -0.645 -1.145 18.615 357 H SER 53 H SER 53 4.406 -6.705 15.032 358 HA SER 53 HA SER 53 4.624 -6.666 12.768 359 HB3 SER 53 2HB SER 53 6.483 -7.833 13.498 360 HG SER 53 HG SER 53 4.896 -10.184 13.634 361 H LYS 54 H LYS 54 1.962 -6.937 13.033 362 HA LYS 54 HA LYS 54 0.817 -9.271 12.077 363 HB3 LYS 54 2HB LYS 54 -0.280 -7.698 13.551 364 HG3 LYS 54 2HG LYS 54 -1.229 -6.263 11.057 365 HD3 LYS 54 2HD LYS 54 -1.429 -4.349 12.581 366 HE3 LYS 54 2HE LYS 54 -2.674 -6.890 13.723 367 HZ1 LYS 54 3HZ LYS 54 -4.262 -5.493 14.705 368 HZ2 LYS 54 1HZ LYS 54 -3.699 -4.130 14.018 369 HZ3 LYS 54 2HZ LYS 54 -2.810 -4.900 15.179 370 H GLY 55 H GLY 55 2.729 -8.406 9.985 371 HA2 GLY 55 1HA GLY 55 2.773 -8.605 7.660 372 HA3 GLY 55 2HA GLY 55 1.017 -8.920 7.683 373 H ILE 56 H ILE 56 3.451 -6.345 7.994 374 HA ILE 56 HA ILE 56 1.488 -4.334 7.130 375 HB ILE 56 HB ILE 56 2.581 -2.779 8.864 376 HG13 ILE 56 2HG1 ILE 56 4.275 -4.603 9.583 377 HG21 ILE 56 1HG2 ILE 56 0.567 -4.936 9.632 378 HG22 ILE 56 2HG2 ILE 56 0.783 -3.387 10.486 379 HG23 ILE 56 3HG2 ILE 56 0.232 -3.403 8.814 380 HD11 ILE 56 3HD1 ILE 56 4.284 -3.930 11.912 381 HD12 ILE 56 1HD1 ILE 56 3.918 -2.517 10.892 382 HD13 ILE 56 2HD1 ILE 56 2.619 -3.312 11.790 383 H ALA 57 H ALA 57 2.181 -3.206 5.530 384 HA ALA 57 HA ALA 57 4.962 -2.300 5.398 385 HB1 ALA 57 1HB ALA 57 5.120 -2.877 2.963 386 HB2 ALA 57 2HB ALA 57 5.145 -4.301 4.018 387 HB3 ALA 57 3HB ALA 57 3.658 -3.842 3.118 388 H TYR 58 H TYR 58 5.200 -0.467 4.158 389 HA TYR 58 HA TYR 58 2.833 0.863 2.928 390 HB3 TYR 58 2HB TYR 58 4.143 2.957 3.251 391 HD1 TYR 58 1HD TYR 58 4.802 1.075 6.384 392 HD2 TYR 58 2HD TYR 58 2.119 3.692 4.303 393 HE1 TYR 58 1HE TYR 58 3.406 1.203 8.417 394 HE2 TYR 58 2HE TYR 58 0.732 3.918 6.355 395 HH TYR 58 HH TYR 58 0.185 2.499 8.278 396 H VAL 59 H VAL 59 3.379 1.758 0.890 397 HA VAL 59 HA VAL 59 5.905 0.830 -0.344 398 HB VAL 59 HB VAL 59 3.211 0.263 -1.633 399 HG11 VAL 59 1HG1 VAL 59 5.958 -0.944 -2.103 400 HG12 VAL 59 2HG1 VAL 59 4.517 -1.183 -3.107 401 HG13 VAL 59 3HG1 VAL 59 5.336 0.390 -3.043 402 HG21 VAL 59 3HG2 VAL 59 4.837 -1.690 0.044 403 HG22 VAL 59 1HG2 VAL 59 3.152 -1.190 0.304 404 HG23 VAL 59 2HG2 VAL 59 3.570 -2.171 -1.097 405 H GLU 60 H GLU 60 6.732 2.539 -1.413 406 HA GLU 60 HA GLU 60 5.158 5.025 -1.508 407 HB3 GLU 60 2HB GLU 60 7.470 5.908 -2.225 408 HG3 GLU 60 2HG GLU 60 6.835 4.772 0.476 409 H PHE 61 H PHE 61 4.083 5.630 -3.454 410 HA PHE 61 HA PHE 61 4.859 4.219 -5.899 411 HB3 PHE 61 2HB PHE 61 2.552 6.117 -5.718 412 HD1 PHE 61 2HD PHE 61 3.027 2.510 -5.921 413 HD2 PHE 61 1HD PHE 61 1.650 5.993 -7.946 414 HE1 PHE 61 2HE PHE 61 2.315 1.070 -7.895 415 HE2 PHE 61 1HE PHE 61 0.848 4.621 -9.847 416 HZ PHE 61 HZ PHE 61 1.189 2.134 -9.819 417 H VAL 62 H VAL 62 4.482 5.640 -7.887 418 HA VAL 62 HA VAL 62 6.407 7.810 -7.891 419 HB VAL 62 HB VAL 62 5.987 7.547 -10.337 420 HG11 VAL 62 1HG1 VAL 62 6.528 4.894 -8.948 421 HG12 VAL 62 2HG1 VAL 62 7.208 5.505 -10.489 422 HG13 VAL 62 3HG1 VAL 62 7.668 6.245 -8.991 423 HG21 VAL 62 3HG2 VAL 62 3.651 7.055 -10.336 424 HG22 VAL 62 1HG2 VAL 62 4.593 5.995 -11.314 425 HG23 VAL 62 2HG2 VAL 62 3.999 5.442 -9.710 426 H ASP 63 H ASP 63 3.057 7.430 -8.034 427 HA ASP 63 HA ASP 63 2.590 10.389 -8.239 428 HB3 ASP 63 2HB ASP 63 0.555 8.426 -9.303 429 H VAL 64 H VAL 64 0.170 10.894 -7.623 430 HA VAL 64 HA VAL 64 -0.507 9.488 -5.094 431 HB VAL 64 HB VAL 64 -0.060 11.808 -4.882 432 HG11 VAL 64 1HG1 VAL 64 -1.386 13.583 -6.026 433 HG12 VAL 64 2HG1 VAL 64 -0.449 12.652 -7.169 434 HG13 VAL 64 3HG1 VAL 64 -2.195 12.356 -6.999 435 HG21 VAL 64 3HG2 VAL 64 -3.080 11.439 -4.729 436 HG22 VAL 64 1HG2 VAL 64 -1.906 10.850 -3.541 437 HG23 VAL 64 2HG2 VAL 64 -2.093 12.583 -3.814 438 H SER 65 H SER 65 -1.649 10.096 -8.431 439 HA SER 65 HA SER 65 -4.388 9.981 -7.800 440 HB3 SER 65 2HB SER 65 -4.736 10.018 -10.153 441 HG SER 65 HG SER 65 -2.122 11.080 -10.042 442 H SER 66 H SER 66 -2.114 7.249 -8.210 443 HA SER 66 HA SER 66 -4.371 5.404 -8.430 444 HB3 SER 66 2HB SER 66 -2.734 3.712 -8.558 445 HG SER 66 HG SER 66 -1.840 4.283 -10.417 446 H VAL 67 H VAL 67 -2.982 7.101 -5.688 447 HA VAL 67 HA VAL 67 -2.713 5.029 -3.794 448 HB VAL 67 HB VAL 67 -3.535 7.929 -3.415 449 HG11 VAL 67 1HG1 VAL 67 -2.717 5.915 -1.273 450 HG12 VAL 67 2HG1 VAL 67 -3.012 7.652 -1.038 451 HG13 VAL 67 3HG1 VAL 67 -4.344 6.591 -1.479 452 HG21 VAL 67 3HG2 VAL 67 -1.305 8.314 -2.666 453 HG22 VAL 67 1HG2 VAL 67 -0.904 6.593 -2.743 454 HG23 VAL 67 2HG2 VAL 67 -1.201 7.515 -4.239 455 HA PRO 68 HA PRO 68 -7.340 5.213 -2.747 456 HB3 PRO 68 2HB PRO 68 -8.332 7.256 -2.973 457 HG3 PRO 68 2HG PRO 68 -7.614 8.776 -4.641 458 HD3 PRO 68 2HD PRO 68 -5.660 8.062 -3.574 459 H LEU 69 H LEU 69 -6.023 4.478 -5.798 460 HA LEU 69 HA LEU 69 -8.314 3.046 -6.928 461 HB3 LEU 69 2HB LEU 69 -5.395 2.643 -7.604 462 HG LEU 69 HG LEU 69 -7.942 2.562 -9.278 463 HD11 LEU 69 1HD1 LEU 69 -6.240 3.757 -10.498 464 HD12 LEU 69 2HD1 LEU 69 -6.308 2.124 -11.164 465 HD13 LEU 69 3HD1 LEU 69 -4.998 2.594 -10.049 466 HD21 LEU 69 3HD2 LEU 69 -7.037 0.264 -9.922 467 HD22 LEU 69 1HD2 LEU 69 -7.726 0.430 -8.303 468 HD23 LEU 69 2HD2 LEU 69 -5.967 0.392 -8.507 469 H ALA 70 H ALA 70 -5.332 2.165 -5.059 470 HA ALA 70 HA ALA 70 -5.711 -0.570 -4.911 471 HB1 ALA 70 1HB ALA 70 -3.773 0.940 -4.090 472 HB2 ALA 70 2HB ALA 70 -4.679 1.085 -2.574 473 HB3 ALA 70 3HB ALA 70 -4.110 -0.514 -3.168 474 H ILE 71 H ILE 71 -7.545 1.897 -3.274 475 HA ILE 71 HA ILE 71 -8.664 0.311 -1.164 476 HB ILE 71 HB ILE 71 -9.710 2.793 -2.593 477 HG13 ILE 71 2HG1 ILE 71 -7.513 3.110 -1.504 478 HG21 ILE 71 1HG2 ILE 71 -10.770 1.244 -0.256 479 HG22 ILE 71 2HG2 ILE 71 -11.047 2.982 -0.365 480 HG23 ILE 71 3HG2 ILE 71 -11.622 1.917 -1.643 481 HD11 ILE 71 3HD1 ILE 71 -7.925 4.952 -0.091 482 HD12 ILE 71 1HD1 ILE 71 -9.237 4.970 -1.291 483 HD13 ILE 71 2HD1 ILE 71 -9.531 4.383 0.368 484 H GLY 72 H GLY 72 -9.710 0.979 -4.560 485 HA2 GLY 72 1HA GLY 72 -12.023 -0.738 -4.414 486 HA3 GLY 72 2HA GLY 72 -11.267 -0.073 -5.857 487 H LEU 73 H LEU 73 -8.769 -1.615 -4.279 488 HA LEU 73 HA LEU 73 -9.190 -4.199 -5.725 489 HB3 LEU 73 2HB LEU 73 -6.834 -4.484 -5.681 490 HG LEU 73 HG LEU 73 -7.141 -1.612 -6.596 491 HD11 LEU 73 1HD1 LEU 73 -4.875 -2.802 -6.579 492 HD12 LEU 73 2HD1 LEU 73 -5.391 -2.145 -8.140 493 HD13 LEU 73 3HD1 LEU 73 -5.525 -3.883 -7.821 494 HD21 LEU 73 3HD2 LEU 73 -7.731 -2.543 -8.848 495 HD22 LEU 73 1HD2 LEU 73 -9.022 -2.756 -7.651 496 HD23 LEU 73 2HD2 LEU 73 -7.980 -4.126 -8.090 497 H THR 74 H THR 74 -9.718 -2.936 -2.684 498 HA THR 74 HA THR 74 -8.311 -4.453 -0.879 499 HB THR 74 HB THR 74 -9.724 -2.508 -0.367 500 HG1 THR 74 1HG THR 74 -9.177 -4.507 1.133 501 HG21 THR 74 3HG2 THR 74 -12.074 -4.474 -0.398 502 HG22 THR 74 1HG2 THR 74 -11.782 -3.260 -1.671 503 HG23 THR 74 2HG2 THR 74 -12.114 -2.739 -0.014 504 H GLY 75 H GLY 75 -10.710 -5.749 -3.039 505 HA2 GLY 75 1HA GLY 75 -11.176 -8.128 -1.300 506 HA3 GLY 75 2HA GLY 75 -12.218 -7.561 -2.606 507 H GLN 76 H GLN 76 -8.894 -7.392 -3.466 508 HA GLN 76 HA GLN 76 -9.038 -9.848 -5.120 509 HB3 GLN 76 2HB GLN 76 -6.827 -8.983 -5.941 510 HG3 GLN 76 2HG GLN 76 -8.585 -6.592 -6.227 511 HE21 GLN 76 1HE2 GLN 76 -8.954 -6.018 -8.541 512 HE22 GLN 76 2HE2 GLN 76 -7.814 -6.632 -9.693 513 H ARG 77 H ARG 77 -6.733 -11.001 -5.117 514 HA ARG 77 HA ARG 77 -5.398 -11.019 -2.543 515 HB3 ARG 77 2HB ARG 77 -7.113 -12.439 -1.764 516 HG3 ARG 77 2HG ARG 77 -7.154 -13.604 -4.533 517 HD3 ARG 77 2HD ARG 77 -6.406 -15.499 -3.036 518 HE ARG 77 HE ARG 77 -8.806 -14.692 -1.567 519 HH11 ARG 77 1HH1 ARG 77 -6.888 -17.690 -2.321 520 HH12 ARG 77 2HH1 ARG 77 -7.506 -18.453 -0.898 521 HH21 ARG 77 1HH2 ARG 77 -9.587 -15.852 0.113 522 HH22 ARG 77 2HH2 ARG 77 -9.050 -17.498 0.443 523 H VAL 78 H VAL 78 -3.468 -10.585 -3.784 524 HA VAL 78 HA VAL 78 -2.951 -12.140 -6.204 525 HB VAL 78 HB VAL 78 -1.236 -10.216 -4.607 526 HG11 VAL 78 1HG1 VAL 78 -0.541 -11.623 -7.227 527 HG12 VAL 78 2HG1 VAL 78 0.346 -10.249 -6.527 528 HG13 VAL 78 3HG1 VAL 78 0.317 -11.786 -5.674 529 HG21 VAL 78 3HG2 VAL 78 -3.101 -9.194 -5.863 530 HG22 VAL 78 1HG2 VAL 78 -1.553 -8.826 -6.631 531 HG23 VAL 78 2HG2 VAL 78 -2.609 -10.061 -7.333 532 H LEU 79 H LEU 79 -2.582 -14.289 -6.028 533 HA LEU 79 HA LEU 79 -1.884 -16.289 -5.201 534 HB3 LEU 79 2HB LEU 79 0.400 -16.523 -4.569 535 HG LEU 79 HG LEU 79 0.264 -14.093 -6.415 536 HD11 LEU 79 1HD1 LEU 79 2.542 -14.682 -7.059 537 HD12 LEU 79 2HD1 LEU 79 2.586 -15.938 -5.783 538 HD13 LEU 79 3HD1 LEU 79 2.448 -14.214 -5.356 539 HD21 LEU 79 3HD2 LEU 79 0.651 -15.727 -8.205 540 HD22 LEU 79 1HD2 LEU 79 -0.839 -16.114 -7.334 541 HD23 LEU 79 2HD2 LEU 79 0.646 -17.047 -7.018 542 H GLY 80 H GLY 80 -3.576 -14.515 -3.418 543 HA2 GLY 80 1HA GLY 80 -4.629 -15.509 -1.464 544 HA3 GLY 80 2HA GLY 80 -3.050 -16.002 -0.892 545 H VAL 81 H VAL 81 -2.547 -12.822 -1.928 546 HA VAL 81 HA VAL 81 -2.845 -11.906 0.882 547 HB VAL 81 HB VAL 81 -0.693 -12.064 -0.016 548 HG11 VAL 81 1HG1 VAL 81 -0.171 -9.838 -1.599 549 HG12 VAL 81 2HG1 VAL 81 0.041 -11.559 -1.958 550 HG13 VAL 81 3HG1 VAL 81 -1.461 -10.735 -2.384 551 HG21 VAL 81 3HG2 VAL 81 -1.378 -10.497 1.752 552 HG22 VAL 81 1HG2 VAL 81 0.157 -10.103 0.952 553 HG23 VAL 81 2HG2 VAL 81 -1.322 -9.178 0.564 554 HA PRO 82 HA PRO 82 -5.999 -9.076 -1.023 555 HB3 PRO 82 2HB PRO 82 -7.774 -10.152 0.080 556 HG3 PRO 82 2HG PRO 82 -7.398 -11.378 2.070 557 HD3 PRO 82 2HD PRO 82 -5.848 -12.262 0.529 558 H ILE 83 H ILE 83 -6.424 -6.835 -0.396 559 HA ILE 83 HA ILE 83 -4.447 -5.760 1.545 560 HB ILE 83 HB ILE 83 -3.869 -5.347 -0.784 561 HG13 ILE 83 2HG1 ILE 83 -3.284 -3.751 1.069 562 HG21 ILE 83 1HG2 ILE 83 -5.125 -4.008 -2.313 563 HG22 ILE 83 2HG2 ILE 83 -6.255 -5.198 -1.695 564 HG23 ILE 83 3HG2 ILE 83 -6.300 -3.534 -1.071 565 HD11 ILE 83 3HD1 ILE 83 -2.534 -1.924 -0.339 566 HD12 ILE 83 1HD1 ILE 83 -2.288 -3.474 -1.174 567 HD13 ILE 83 2HD1 ILE 83 -3.632 -2.400 -1.636 568 H ILE 84 H ILE 84 -5.087 -3.583 2.491 569 HA ILE 84 HA ILE 84 -7.975 -3.625 3.225 570 HB ILE 84 HB ILE 84 -5.619 -2.504 4.806 571 HG13 ILE 84 2HG1 ILE 84 -6.026 -4.243 6.459 572 HG21 ILE 84 1HG2 ILE 84 -8.592 -2.668 5.488 573 HG22 ILE 84 2HG2 ILE 84 -7.311 -2.237 6.640 574 HG23 ILE 84 3HG2 ILE 84 -7.639 -1.208 5.245 575 HD11 ILE 84 3HD1 ILE 84 -7.323 -6.226 6.014 576 HD12 ILE 84 1HD1 ILE 84 -8.402 -4.841 5.980 577 HD13 ILE 84 2HD1 ILE 84 -7.881 -5.584 4.453 578 H VAL 85 H VAL 85 -9.073 -1.775 2.938 579 HA VAL 85 HA VAL 85 -8.445 0.156 1.061 580 HB VAL 85 HB VAL 85 -10.520 1.162 1.871 581 HG11 VAL 85 1HG1 VAL 85 -10.811 -1.818 1.992 582 HG12 VAL 85 2HG1 VAL 85 -12.026 -0.623 1.518 583 HG13 VAL 85 3HG1 VAL 85 -10.599 -0.872 0.501 584 HG21 VAL 85 3HG2 VAL 85 -10.083 0.803 4.383 585 HG22 VAL 85 1HG2 VAL 85 -11.719 0.389 3.833 586 HG23 VAL 85 2HG2 VAL 85 -10.535 -0.884 4.137 587 H GLN 86 H GLN 86 -6.847 0.108 3.905 588 HA GLN 86 HA GLN 86 -7.429 2.589 5.150 589 HB3 GLN 86 2HB GLN 86 -4.924 2.169 6.037 590 HG3 GLN 86 2HG GLN 86 -5.812 0.561 7.691 591 HE21 GLN 86 1HE2 GLN 86 -5.597 3.569 7.456 592 HE22 GLN 86 2HE2 GLN 86 -6.927 4.162 8.388 593 H ALA 87 H ALA 87 -4.887 2.049 2.586 594 HA ALA 87 HA ALA 87 -3.494 3.342 1.636 595 HB1 ALA 87 1HB ALA 87 -4.151 5.631 1.052 596 HB2 ALA 87 2HB ALA 87 -5.532 4.523 0.891 597 HB3 ALA 87 3HB ALA 87 -5.425 5.602 2.301 598 H SER 88 H SER 88 -2.304 5.521 2.003 599 HA SER 88 HA SER 88 -1.399 5.633 4.879 600 HB3 SER 88 2HB SER 88 0.247 4.529 3.208 601 HG SER 88 HG SER 88 0.214 6.307 1.701 602 H GLN 89 H GLN 89 -1.083 7.666 5.788 603 HA GLN 89 HA GLN 89 -1.928 9.443 6.375 604 HB3 GLN 89 2HB GLN 89 -1.313 11.369 5.348 605 HG3 GLN 89 2HG GLN 89 1.031 9.905 4.294 606 HE21 GLN 89 1HE2 GLN 89 2.560 10.463 6.783 607 HE22 GLN 89 2HE2 GLN 89 2.757 12.202 6.769 608 H ALA 90 H ALA 90 -3.320 11.587 5.217 609 HA ALA 90 HA ALA 90 -5.409 12.236 5.212 610 HB1 ALA 90 1HB ALA 90 -6.810 11.598 3.341 611 HB2 ALA 90 2HB ALA 90 -5.127 11.737 2.792 612 HB3 ALA 90 3HB ALA 90 -5.843 10.124 3.061 613 H GLU 91 H GLU 91 -7.931 11.153 4.993 614 HA GLU 91 HA GLU 91 -8.125 8.967 6.968 615 HB3 GLU 91 2HB GLU 91 -9.857 11.444 6.844 616 HG3 GLU 91 2HG GLU 91 -9.580 9.214 8.901 617 H LYS 92 H LYS 92 -8.208 7.772 4.920 618 HA LYS 92 HA LYS 92 -10.962 7.862 3.758 619 HB3 LYS 92 2HB LYS 92 -10.170 7.411 1.557 620 HG3 LYS 92 2HG LYS 92 -8.342 9.657 2.523 621 HD3 LYS 92 2HD LYS 92 -9.930 9.105 -0.026 622 HE3 LYS 92 2HE LYS 92 -9.697 11.566 0.523 623 HZ1 LYS 92 3HZ LYS 92 -6.827 11.078 -0.120 624 HZ2 LYS 92 1HZ LYS 92 -7.397 11.602 1.353 625 HZ3 LYS 92 2HZ LYS 92 -7.553 12.519 0.016 626 H ASN 93 H ASN 93 -11.785 5.851 3.167 627 HA ASN 93 HA ASN 93 -10.493 3.422 3.021 628 HB3 ASN 93 2HB ASN 93 -9.868 3.188 5.251 629 HD21 ASN 93 1HD2 ASN 93 -13.250 4.417 5.507 630 HD22 ASN 93 2HD2 ASN 93 -12.872 5.536 6.835 631 H ARG 94 H ARG 94 -12.200 4.147 1.286 632 HA ARG 94 HA ARG 94 -14.517 2.586 1.751 633 HB3 ARG 94 2HB ARG 94 -15.110 4.969 2.703 634 HG3 ARG 94 2HG ARG 94 -15.443 5.456 -0.298 635 HD3 ARG 94 2HD ARG 94 -16.339 7.283 1.915 636 HE ARG 94 HE ARG 94 -16.886 8.463 0.061 637 HH11 ARG 94 1HH1 ARG 94 -17.599 5.003 -0.723 638 HH12 ARG 94 2HH1 ARG 94 -18.723 5.461 -1.949 639 HH21 ARG 94 1HH2 ARG 94 -18.262 8.919 -1.744 640 HH22 ARG 94 2HH2 ARG 94 -18.871 7.624 -2.726 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.282 26.392 -9.547 2 HA2 GLY 1 1HA GLY 1 1.121 27.899 -11.963 3 HA3 GLY 1 2HA GLY 1 1.778 26.294 -11.498 4 H HIS 2 H HIS 2 0.875 24.593 -12.501 5 HA HIS 2 HA HIS 2 -2.038 24.464 -12.737 6 HB3 HIS 2 2HB HIS 2 -1.677 23.230 -14.932 7 HD1 HIS 2 1HD HIS 2 -0.368 25.510 -17.011 8 HD2 HIS 2 2HD HIS 2 -3.392 25.785 -14.083 9 HE1 HIS 2 1HE HIS 2 -1.903 27.436 -17.722 10 H MET 3 H MET 3 -0.921 23.557 -10.608 11 HA MET 3 HA MET 3 0.367 20.930 -11.073 12 HB3 MET 3 2HB MET 3 0.653 22.735 -8.655 13 HG3 MET 3 2HG MET 3 2.251 20.438 -9.856 14 HE1 MET 3 3HE MET 3 3.917 22.677 -10.436 15 HE2 MET 3 1HE MET 3 5.387 22.653 -9.446 16 HE3 MET 3 2HE MET 3 4.842 21.167 -10.218 17 H ASN 4 H ASN 4 -1.496 19.758 -11.293 18 HA ASN 4 HA ASN 4 -3.818 20.108 -9.741 19 HB3 ASN 4 2HB ASN 4 -4.434 17.853 -10.870 20 HD21 ASN 4 1HD2 ASN 4 -5.585 18.032 -12.970 21 HD22 ASN 4 2HD2 ASN 4 -5.593 19.599 -13.761 22 H LEU 5 H LEU 5 -4.906 18.656 -8.392 23 HA LEU 5 HA LEU 5 -5.317 17.465 -6.595 24 HB3 LEU 5 2HB LEU 5 -2.731 15.953 -6.733 25 HG LEU 5 HG LEU 5 -4.778 14.087 -6.931 26 HD11 LEU 5 1HD1 LEU 5 -3.219 14.933 -4.500 27 HD12 LEU 5 2HD1 LEU 5 -2.673 13.835 -5.796 28 HD13 LEU 5 3HD1 LEU 5 -4.000 13.350 -4.735 29 HD21 LEU 5 3HD2 LEU 5 -5.613 15.912 -4.650 30 HD22 LEU 5 1HD2 LEU 5 -6.243 14.301 -5.048 31 HD23 LEU 5 2HD2 LEU 5 -6.526 15.630 -6.152 32 H THR 6 H THR 6 -4.845 17.662 -4.157 33 HA THR 6 HA THR 6 -2.909 19.824 -3.742 34 HB THR 6 HB THR 6 -3.970 19.542 -1.354 35 HG1 THR 6 1HG THR 6 -5.858 18.560 -1.305 36 HG21 THR 6 3HG2 THR 6 -5.604 20.477 -3.759 37 HG22 THR 6 1HG2 THR 6 -4.413 21.446 -2.853 38 HG23 THR 6 2HG2 THR 6 -5.905 20.920 -2.060 39 HA PRO 7 HA PRO 7 0.371 17.520 -2.073 40 HB3 PRO 7 2HB PRO 7 1.554 19.212 -1.210 41 HG3 PRO 7 2HG PRO 7 0.449 21.214 -0.857 42 HD3 PRO 7 2HD PRO 7 -0.829 20.563 -2.682 43 H GLU 8 H GLU 8 -1.696 18.196 0.871 44 HA GLU 8 HA GLU 8 -1.234 15.865 2.235 45 HB3 GLU 8 2HB GLU 8 -3.716 16.173 2.964 46 HG3 GLU 8 2HG GLU 8 -1.385 17.277 3.899 47 H GLU 9 H GLU 9 -3.544 16.218 -0.525 48 HA GLU 9 HA GLU 9 -4.558 13.540 -0.227 49 HB3 GLU 9 2HB GLU 9 -5.241 13.993 -2.642 50 HG3 GLU 9 2HG GLU 9 -6.442 16.265 -1.197 51 H ARG 10 H ARG 10 -1.962 15.070 -2.225 52 HA ARG 10 HA ARG 10 -1.410 12.698 -3.717 53 HB3 ARG 10 2HB ARG 10 0.439 15.032 -3.095 54 HG3 ARG 10 2HG ARG 10 0.203 13.267 -5.591 55 HD3 ARG 10 2HD ARG 10 2.024 15.572 -4.789 56 HE ARG 10 HE ARG 10 3.398 13.834 -5.719 57 HH11 ARG 10 1HH1 ARG 10 1.175 15.261 -8.120 58 HH12 ARG 10 2HH1 ARG 10 2.219 14.954 -9.447 59 HH21 ARG 10 1HH2 ARG 10 4.707 13.375 -7.445 60 HH22 ARG 10 2HH2 ARG 10 4.265 13.757 -9.078 61 H ASP 11 H ASP 11 -0.345 13.734 -0.507 62 HA ASP 11 HA ASP 11 1.600 11.604 -0.144 63 HB3 ASP 11 2HB ASP 11 -0.101 12.910 2.023 64 H ALA 12 H ALA 12 -1.787 11.974 0.962 65 HA ALA 12 HA ALA 12 -2.150 9.401 1.968 66 HB1 ALA 12 1HB ALA 12 -4.183 11.443 0.990 67 HB2 ALA 12 2HB ALA 12 -4.515 10.046 2.035 68 HB3 ALA 12 3HB ALA 12 -3.449 11.349 2.610 69 H ARG 13 H ARG 13 -1.847 9.940 -1.300 70 HA ARG 13 HA ARG 13 -3.557 7.880 -2.459 71 HB3 ARG 13 2HB ARG 13 -1.247 7.821 -3.903 72 HG3 ARG 13 2HG ARG 13 -3.322 8.301 -4.869 73 HD3 ARG 13 2HD ARG 13 -3.988 10.920 -4.771 74 HE ARG 13 HE ARG 13 -5.468 8.949 -4.147 75 HH11 ARG 13 1HH1 ARG 13 -4.363 11.211 -1.648 76 HH12 ARG 13 2HH1 ARG 13 -5.822 11.149 -0.729 77 HH21 ARG 13 1HH2 ARG 13 -7.469 8.769 -2.790 78 HH22 ARG 13 2HH2 ARG 13 -7.532 9.717 -1.372 79 H THR 14 H THR 14 -0.780 7.827 -0.308 80 HA THR 14 HA THR 14 0.355 5.363 -0.719 81 HB THR 14 HB THR 14 -0.318 6.759 1.916 82 HG1 THR 14 1HG THR 14 0.843 8.180 0.651 83 HG21 THR 14 3HG2 THR 14 0.538 4.490 2.298 84 HG22 THR 14 1HG2 THR 14 1.725 5.709 2.795 85 HG23 THR 14 2HG2 THR 14 1.957 4.833 1.264 86 H VAL 15 H VAL 15 -0.156 3.174 -0.180 87 HA VAL 15 HA VAL 15 -2.880 2.701 0.905 88 HB VAL 15 HB VAL 15 -2.903 0.635 -0.478 89 HG11 VAL 15 1HG1 VAL 15 -2.941 3.193 -2.111 90 HG12 VAL 15 2HG1 VAL 15 -3.814 1.679 -2.472 91 HG13 VAL 15 3HG1 VAL 15 -4.233 2.626 -1.033 92 HG21 VAL 15 3HG2 VAL 15 -0.607 0.409 -1.108 93 HG22 VAL 15 1HG2 VAL 15 -1.548 0.584 -2.582 94 HG23 VAL 15 2HG2 VAL 15 -0.567 1.944 -1.970 95 H PHE 16 H PHE 16 -2.734 1.862 2.783 96 HA PHE 16 HA PHE 16 -0.533 0.448 3.934 97 HB3 PHE 16 2HB PHE 16 -3.482 0.449 4.718 98 HD1 PHE 16 1HD PHE 16 -0.086 0.698 6.348 99 HD2 PHE 16 2HD PHE 16 -3.970 -1.176 6.378 100 HE1 PHE 16 1HE PHE 16 0.503 -0.513 8.421 101 HE2 PHE 16 2HE PHE 16 -3.398 -2.311 8.479 102 HZ PHE 16 HZ PHE 16 -1.171 -2.008 9.504 103 H CYS 17 H CYS 17 -0.384 -1.845 4.460 104 HA CYS 17 HA CYS 17 -2.450 -3.648 3.413 105 HB3 CYS 17 2HB CYS 17 -0.224 -3.605 1.968 106 HG CYS 17 HG CYS 17 1.749 -4.946 2.508 107 H MET 18 H MET 18 -2.583 -5.629 4.801 108 HA MET 18 HA MET 18 -1.229 -5.345 7.422 109 HB3 MET 18 2HB MET 18 -4.214 -5.762 7.193 110 HG3 MET 18 2HG MET 18 -3.540 -4.184 9.433 111 HE1 MET 18 3HE MET 18 -6.033 -4.575 9.444 112 HE2 MET 18 1HE MET 18 -6.248 -5.954 8.358 113 HE3 MET 18 2HE MET 18 -6.842 -6.054 10.021 114 H GLN 19 H GLN 19 -1.290 -7.462 5.056 115 HA GLN 19 HA GLN 19 -1.999 -9.830 6.684 116 HB3 GLN 19 2HB GLN 19 -3.224 -9.387 3.956 117 HG3 GLN 19 2HG GLN 19 -3.890 -11.169 6.349 118 HE21 GLN 19 1HE2 GLN 19 -5.041 -10.290 3.006 119 HE22 GLN 19 2HE2 GLN 19 -6.723 -10.631 3.339 120 H LEU 20 H LEU 20 0.567 -8.759 5.695 121 HA LEU 20 HA LEU 20 1.273 -10.242 3.312 122 HB3 LEU 20 2HB LEU 20 3.604 -9.546 3.866 123 HG LEU 20 HG LEU 20 1.670 -7.261 4.385 124 HD11 LEU 20 1HD1 LEU 20 3.500 -5.892 3.300 125 HD12 LEU 20 2HD1 LEU 20 4.548 -7.318 3.360 126 HD13 LEU 20 3HD1 LEU 20 3.929 -6.578 4.865 127 HD21 LEU 20 3HD2 LEU 20 0.996 -8.323 2.290 128 HD22 LEU 20 1HD2 LEU 20 2.680 -8.415 1.738 129 HD23 LEU 20 2HD2 LEU 20 1.868 -6.850 1.904 130 H ALA 21 H ALA 21 3.197 -11.732 3.292 131 HA ALA 21 HA ALA 21 2.789 -13.867 5.317 132 HB1 ALA 21 1HB ALA 21 3.444 -15.429 3.539 133 HB2 ALA 21 2HB ALA 21 2.036 -14.475 3.057 134 HB3 ALA 21 3HB ALA 21 3.665 -14.070 2.415 135 H ALA 22 H ALA 22 4.774 -15.303 5.420 136 HA ALA 22 HA ALA 22 6.845 -13.678 6.504 137 HB1 ALA 22 1HB ALA 22 7.822 -15.846 7.144 138 HB2 ALA 22 2HB ALA 22 6.085 -15.785 7.499 139 HB3 ALA 22 3HB ALA 22 6.678 -16.691 6.084 140 H ARG 23 H ARG 23 6.560 -14.845 3.220 141 HA ARG 23 HA ARG 23 9.485 -14.419 2.924 142 HB3 ARG 23 2HB ARG 23 8.122 -16.242 0.999 143 HG3 ARG 23 2HG ARG 23 10.586 -15.632 0.945 144 HD3 ARG 23 2HD ARG 23 11.478 -17.473 2.939 145 HE ARG 23 HE ARG 23 11.779 -14.535 3.259 146 HH11 ARG 23 1HH1 ARG 23 13.159 -17.514 1.908 147 HH12 ARG 23 2HH1 ARG 23 14.761 -16.900 1.790 148 HH21 ARG 23 1HH2 ARG 23 13.985 -13.797 3.363 149 HH22 ARG 23 2HH2 ARG 23 15.224 -14.752 2.597 150 H ILE 24 H ILE 24 7.248 -12.520 2.635 151 HA ILE 24 HA ILE 24 6.968 -11.876 -0.122 152 HB ILE 24 HB ILE 24 5.453 -11.311 1.828 153 HG13 ILE 24 2HG1 ILE 24 6.220 -9.035 -0.010 154 HG21 ILE 24 1HG2 ILE 24 5.885 -9.372 3.216 155 HG22 ILE 24 2HG2 ILE 24 7.219 -10.511 3.401 156 HG23 ILE 24 3HG2 ILE 24 7.429 -9.066 2.397 157 HD11 ILE 24 3HD1 ILE 24 5.200 -10.989 -1.187 158 HD12 ILE 24 1HD1 ILE 24 3.870 -10.956 -0.026 159 HD13 ILE 24 2HD1 ILE 24 4.089 -9.599 -1.129 160 H ARG 25 H ARG 25 7.853 -9.870 -1.096 161 HA ARG 25 HA ARG 25 10.359 -8.718 0.081 162 HB3 ARG 25 2HB ARG 25 10.851 -8.055 -2.366 163 HG3 ARG 25 2HG ARG 25 12.027 -9.982 -1.147 164 HD3 ARG 25 2HD ARG 25 10.519 -11.563 -3.263 165 HE ARG 25 HE ARG 25 12.427 -12.422 -1.131 166 HH11 ARG 25 1HH1 ARG 25 11.137 -12.982 -4.474 167 HH12 ARG 25 2HH1 ARG 25 12.266 -14.259 -4.749 168 HH21 ARG 25 1HH2 ARG 25 13.890 -14.203 -1.662 169 HH22 ARG 25 2HH2 ARG 25 13.777 -14.871 -3.251 170 HA PRO 26 HA PRO 26 7.879 -4.952 -0.182 171 HB3 PRO 26 2HB PRO 26 9.553 -3.595 0.577 172 HG3 PRO 26 2HG PRO 26 11.822 -4.136 0.171 173 HD3 PRO 26 2HD PRO 26 10.879 -6.174 0.910 174 H ARG 27 H ARG 27 10.078 -5.617 -2.931 175 HA ARG 27 HA ARG 27 8.555 -4.394 -4.935 176 HB3 ARG 27 2HB ARG 27 10.510 -6.724 -5.024 177 HG3 ARG 27 2HG ARG 27 9.147 -5.144 -7.216 178 HD3 ARG 27 2HD ARG 27 11.964 -6.188 -7.236 179 HE ARG 27 HE ARG 27 10.098 -6.285 -9.388 180 HH11 ARG 27 1HH1 ARG 27 13.191 -4.580 -8.850 181 HH12 ARG 27 2HH1 ARG 27 13.618 -4.677 -10.512 182 HH21 ARG 27 1HH2 ARG 27 10.650 -6.409 -11.432 183 HH22 ARG 27 2HH2 ARG 27 12.101 -5.683 -12.088 184 H ASP 28 H ASP 28 7.834 -7.472 -3.316 185 HA ASP 28 HA ASP 28 6.363 -8.652 -5.480 186 HB3 ASP 28 2HB ASP 28 5.068 -9.779 -3.510 187 H LEU 29 H LEU 29 5.666 -6.036 -3.274 188 HA LEU 29 HA LEU 29 2.776 -6.009 -3.827 189 HB3 LEU 29 2HB LEU 29 2.805 -4.035 -2.358 190 HG LEU 29 HG LEU 29 3.262 -4.985 -0.255 191 HD11 LEU 29 1HD1 LEU 29 2.149 -7.095 -0.298 192 HD12 LEU 29 2HD1 LEU 29 2.677 -7.411 -1.935 193 HD13 LEU 29 3HD1 LEU 29 1.469 -6.133 -1.624 194 HD21 LEU 29 3HD2 LEU 29 4.927 -7.246 -1.346 195 HD22 LEU 29 1HD2 LEU 29 4.695 -6.727 0.323 196 HD23 LEU 29 2HD2 LEU 29 5.648 -5.734 -0.809 197 H GLU 30 H GLU 30 5.732 -4.123 -4.696 198 HA GLU 30 HA GLU 30 4.179 -2.115 -6.034 199 HB3 GLU 30 2HB GLU 30 6.683 -2.109 -5.124 200 HG3 GLU 30 2HG GLU 30 7.106 -2.410 -8.106 201 H GLU 31 H GLU 31 5.705 -5.139 -7.056 202 HA GLU 31 HA GLU 31 5.357 -5.008 -9.856 203 HB3 GLU 31 2HB GLU 31 5.106 -7.582 -9.558 204 HG3 GLU 31 2HG GLU 31 7.464 -7.862 -8.608 205 H PHE 32 H PHE 32 3.203 -6.266 -7.289 206 HA PHE 32 HA PHE 32 1.018 -7.086 -8.844 207 HB3 PHE 32 2HB PHE 32 1.017 -5.842 -6.060 208 HD1 PHE 32 1HD PHE 32 -0.618 -8.375 -8.330 209 HD2 PHE 32 2HD PHE 32 -1.100 -5.640 -5.008 210 HE1 PHE 32 1HE PHE 32 -2.963 -8.917 -8.238 211 HE2 PHE 32 2HE PHE 32 -3.501 -6.257 -4.880 212 HZ PHE 32 HZ PHE 32 -4.452 -7.906 -6.497 213 H PHE 33 H PHE 33 1.437 -3.865 -7.219 214 HA PHE 33 HA PHE 33 -0.937 -2.900 -8.505 215 HB3 PHE 33 2HB PHE 33 -0.338 -0.779 -7.572 216 HD1 PHE 33 2HD PHE 33 -2.221 -2.892 -6.686 217 HD2 PHE 33 1HD PHE 33 1.288 -1.308 -4.729 218 HE1 PHE 33 2HE PHE 33 -3.214 -3.402 -4.499 219 HE2 PHE 33 1HE PHE 33 0.273 -1.830 -2.534 220 HZ PHE 33 HZ PHE 33 -1.983 -2.844 -2.405 221 H SER 34 H SER 34 2.340 -3.064 -9.659 222 HA SER 34 HA SER 34 2.273 -0.846 -11.420 223 HB3 SER 34 2HB SER 34 4.371 -1.996 -10.722 224 HG SER 34 HG SER 34 3.656 -4.196 -11.210 225 H THR 35 H THR 35 0.642 -3.868 -11.527 226 HA THR 35 HA THR 35 0.647 -4.311 -14.345 227 HB THR 35 HB THR 35 -1.216 -5.850 -13.918 228 HG1 THR 35 1HG THR 35 -0.982 -5.224 -11.157 229 HG21 THR 35 3HG2 THR 35 -0.064 -7.384 -12.420 230 HG22 THR 35 1HG2 THR 35 0.954 -6.063 -11.810 231 HG23 THR 35 2HG2 THR 35 1.107 -6.593 -13.507 232 H VAL 36 H VAL 36 -0.945 -1.940 -12.557 233 HA VAL 36 HA VAL 36 -2.746 -1.214 -14.816 234 HB VAL 36 HB VAL 36 -4.559 -1.022 -12.904 235 HG11 VAL 36 1HG1 VAL 36 -5.499 -3.153 -13.522 236 HG12 VAL 36 2HG1 VAL 36 -4.714 -2.471 -14.947 237 HG13 VAL 36 3HG1 VAL 36 -3.927 -3.773 -14.045 238 HG21 VAL 36 3HG2 VAL 36 -4.503 -2.837 -11.265 239 HG22 VAL 36 1HG2 VAL 36 -2.928 -3.395 -11.849 240 HG23 VAL 36 2HG2 VAL 36 -3.063 -1.815 -11.052 241 H GLY 37 H GLY 37 -0.359 -0.037 -12.908 242 HA2 GLY 37 1HA GLY 37 -0.926 2.655 -13.192 243 HA3 GLY 37 2HA GLY 37 -1.438 2.191 -11.556 244 H LYS 38 H LYS 38 0.412 3.570 -10.737 245 HA LYS 38 HA LYS 38 2.904 2.014 -10.745 246 HB3 LYS 38 2HB LYS 38 3.342 3.423 -12.585 247 HG3 LYS 38 2HG LYS 38 2.116 5.597 -10.906 248 HD3 LYS 38 2HD LYS 38 4.328 6.400 -11.414 249 HE3 LYS 38 2HE LYS 38 3.944 6.703 -14.317 250 HZ1 LYS 38 3HZ LYS 38 6.248 5.816 -14.227 251 HZ2 LYS 38 1HZ LYS 38 6.115 5.608 -12.634 252 HZ3 LYS 38 2HZ LYS 38 6.064 7.137 -13.228 253 H VAL 39 H VAL 39 3.821 1.945 -8.972 254 HA VAL 39 HA VAL 39 3.118 3.349 -6.551 255 HB VAL 39 HB VAL 39 5.294 1.420 -7.429 256 HG11 VAL 39 1HG1 VAL 39 6.426 2.819 -5.828 257 HG12 VAL 39 2HG1 VAL 39 5.093 2.631 -4.658 258 HG13 VAL 39 3HG1 VAL 39 6.104 1.229 -5.164 259 HG21 VAL 39 3HG2 VAL 39 4.166 0.016 -5.659 260 HG22 VAL 39 1HG2 VAL 39 2.990 1.314 -5.428 261 HG23 VAL 39 2HG2 VAL 39 3.086 0.459 -6.987 262 H ARG 40 H ARG 40 4.416 4.719 -5.404 263 HA ARG 40 HA ARG 40 6.335 6.439 -6.880 264 HB3 ARG 40 2HB ARG 40 4.565 6.887 -4.453 265 HG3 ARG 40 2HG ARG 40 6.734 7.859 -3.802 266 HD3 ARG 40 2HD ARG 40 7.170 10.071 -5.270 267 HE ARG 40 HE ARG 40 8.524 7.746 -6.421 268 HH11 ARG 40 1HH1 ARG 40 8.376 9.819 -3.502 269 HH12 ARG 40 2HH1 ARG 40 9.984 9.463 -3.035 270 HH21 ARG 40 1HH2 ARG 40 10.635 7.307 -5.789 271 HH22 ARG 40 2HH2 ARG 40 11.314 8.075 -4.359 272 H ASP 41 H ASP 41 5.851 4.752 -3.628 273 HA ASP 41 HA ASP 41 8.619 3.823 -3.668 274 HB3 ASP 41 2HB ASP 41 7.616 5.906 -1.704 275 H VAL 42 H VAL 42 8.987 2.367 -1.737 276 HA VAL 42 HA VAL 42 6.382 1.185 -0.856 277 HB VAL 42 HB VAL 42 8.941 -0.347 -1.410 278 HG11 VAL 42 1HG1 VAL 42 7.389 -2.274 -1.555 279 HG12 VAL 42 2HG1 VAL 42 7.326 -1.516 0.031 280 HG13 VAL 42 3HG1 VAL 42 6.031 -1.222 -1.156 281 HG21 VAL 42 3HG2 VAL 42 6.599 -0.059 -3.332 282 HG22 VAL 42 1HG2 VAL 42 8.212 0.657 -3.583 283 HG23 VAL 42 2HG2 VAL 42 8.030 -1.090 -3.541 284 H ARG 43 H ARG 43 6.205 0.546 1.320 285 HA ARG 43 HA ARG 43 8.531 0.960 3.101 286 HB3 ARG 43 2HB ARG 43 7.227 2.396 4.524 287 HG3 ARG 43 2HG ARG 43 6.749 3.467 1.701 288 HD3 ARG 43 2HD ARG 43 7.070 4.716 4.436 289 HE ARG 43 HE ARG 43 7.317 6.198 1.837 290 HH11 ARG 43 1HH1 ARG 43 8.092 6.354 5.192 291 HH12 ARG 43 2HH1 ARG 43 9.746 6.863 5.013 292 HH21 ARG 43 1HH2 ARG 43 9.516 6.652 1.420 293 HH22 ARG 43 2HH2 ARG 43 10.464 7.361 2.716 294 H MET 44 H MET 44 8.327 -1.497 3.004 295 HA MET 44 HA MET 44 6.142 -2.649 4.612 296 HB3 MET 44 2HB MET 44 7.300 -4.196 3.187 297 HG3 MET 44 2HG MET 44 9.815 -3.403 4.674 298 HE1 MET 44 3HE MET 44 7.857 -6.624 3.390 299 HE2 MET 44 1HE MET 44 8.505 -5.880 1.918 300 HE3 MET 44 2HE MET 44 9.151 -7.442 2.486 301 H ILE 45 H ILE 45 6.490 -3.391 6.851 302 HA ILE 45 HA ILE 45 8.369 -1.619 8.328 303 HB ILE 45 HB ILE 45 5.841 -3.097 9.084 304 HG13 ILE 45 2HG1 ILE 45 6.746 -0.193 9.091 305 HG21 ILE 45 1HG2 ILE 45 7.410 -3.539 10.921 306 HG22 ILE 45 2HG2 ILE 45 7.849 -1.811 10.986 307 HG23 ILE 45 3HG2 ILE 45 6.214 -2.357 11.431 308 HD11 ILE 45 3HD1 ILE 45 4.249 -1.522 7.967 309 HD12 ILE 45 1HD1 ILE 45 4.556 0.222 8.068 310 HD13 ILE 45 2HD1 ILE 45 5.573 -0.766 7.039 311 H SER 46 H SER 46 10.118 -2.465 9.376 312 HA SER 46 HA SER 46 10.863 -5.264 9.026 313 HB3 SER 46 2HB SER 46 12.796 -4.687 10.358 314 HG SER 46 HG SER 46 13.624 -3.528 8.812 315 H ASP 47 H ASP 47 9.121 -6.384 9.913 316 HA ASP 47 HA ASP 47 7.891 -5.743 12.413 317 HB3 ASP 47 2HB ASP 47 6.907 -6.933 10.341 318 H ARG 48 H ARG 48 7.701 -7.247 14.286 319 HA ARG 48 HA ARG 48 9.621 -9.227 14.788 320 HB3 ARG 48 2HB ARG 48 11.374 -7.749 14.967 321 HG3 ARG 48 2HG ARG 48 11.205 -6.073 16.941 322 HD3 ARG 48 2HD ARG 48 9.560 -5.091 14.615 323 HE ARG 48 HE ARG 48 10.680 -3.555 16.328 324 HH11 ARG 48 1HH1 ARG 48 12.025 -4.397 13.186 325 HH12 ARG 48 2HH1 ARG 48 13.295 -3.211 13.190 326 HH21 ARG 48 1HH2 ARG 48 11.992 -1.730 16.192 327 HH22 ARG 48 2HH2 ARG 48 13.168 -1.533 14.900 328 H ASN 49 H ASN 49 9.481 -10.233 16.709 329 HA ASN 49 HA ASN 49 7.186 -10.787 18.059 330 HB3 ASN 49 2HB ASN 49 8.868 -12.278 18.362 331 HD21 ASN 49 1HD2 ASN 49 10.933 -12.603 17.571 332 HD22 ASN 49 2HD2 ASN 49 12.144 -11.346 17.584 333 H SER 50 H SER 50 9.417 -8.155 18.918 334 HA SER 50 HA SER 50 8.286 -7.273 21.294 335 HB3 SER 50 2HB SER 50 9.552 -5.830 18.950 336 HG SER 50 HG SER 50 10.222 -4.272 20.492 337 H ARG 51 H ARG 51 6.324 -7.674 18.532 338 HA ARG 51 HA ARG 51 4.201 -6.072 19.579 339 HB3 ARG 51 2HB ARG 51 4.033 -5.058 17.088 340 HG3 ARG 51 2HG ARG 51 5.925 -3.445 18.738 341 HD3 ARG 51 2HD ARG 51 4.654 -2.391 16.917 342 HE ARG 51 HE ARG 51 2.550 -3.182 16.596 343 HH11 ARG 51 1HH1 ARG 51 2.816 -2.485 20.079 344 HH12 ARG 51 2HH1 ARG 51 1.293 -3.194 20.486 345 HH21 ARG 51 1HH2 ARG 51 0.476 -3.916 17.073 346 HH22 ARG 51 2HH2 ARG 51 -0.125 -3.990 18.696 347 H ARG 52 H ARG 52 5.578 -7.980 16.881 348 HA ARG 52 HA ARG 52 4.716 -9.259 15.296 349 HB3 ARG 52 2HB ARG 52 2.897 -10.879 15.931 350 HG3 ARG 52 2HG ARG 52 4.030 -11.954 17.937 351 HD3 ARG 52 2HD ARG 52 6.390 -12.124 16.688 352 HE ARG 52 HE ARG 52 3.836 -13.364 16.109 353 HH11 ARG 52 1HH1 ARG 52 7.284 -13.316 15.175 354 HH12 ARG 52 2HH1 ARG 52 7.301 -14.978 14.680 355 HH21 ARG 52 1HH2 ARG 52 3.920 -15.605 15.512 356 HH22 ARG 52 2HH2 ARG 52 5.364 -16.273 14.878 357 H SER 53 H SER 53 4.263 -6.924 14.558 358 HA SER 53 HA SER 53 1.523 -6.103 14.501 359 HB3 SER 53 2HB SER 53 2.348 -4.447 12.881 360 HG SER 53 HG SER 53 3.963 -3.572 14.324 361 H LYS 54 H LYS 54 2.083 -8.889 13.535 362 HA LYS 54 HA LYS 54 1.549 -10.302 11.962 363 HB3 LYS 54 2HB LYS 54 -0.426 -10.118 13.046 364 HG3 LYS 54 2HG LYS 54 -1.132 -8.118 10.859 365 HD3 LYS 54 2HD LYS 54 -3.110 -9.544 11.589 366 HE3 LYS 54 2HE LYS 54 -2.402 -8.238 14.246 367 HZ1 LYS 54 3HZ LYS 54 -4.755 -8.098 13.882 368 HZ2 LYS 54 1HZ LYS 54 -4.401 -9.195 15.072 369 HZ3 LYS 54 2HZ LYS 54 -4.868 -9.736 13.614 370 H GLY 55 H GLY 55 3.164 -8.251 10.604 371 HA2 GLY 55 1HA GLY 55 4.032 -8.172 8.465 372 HA3 GLY 55 2HA GLY 55 2.755 -9.253 7.921 373 H ILE 56 H ILE 56 3.800 -5.947 8.201 374 HA ILE 56 HA ILE 56 1.360 -4.874 6.899 375 HB ILE 56 HB ILE 56 1.898 -2.826 8.428 376 HG13 ILE 56 2HG1 ILE 56 4.002 -4.031 9.364 377 HG21 ILE 56 1HG2 ILE 56 0.394 -3.786 10.246 378 HG22 ILE 56 2HG2 ILE 56 -0.191 -3.977 8.597 379 HG23 ILE 56 3HG2 ILE 56 0.536 -5.362 9.440 380 HD11 ILE 56 3HD1 ILE 56 3.835 -2.862 11.491 381 HD12 ILE 56 1HD1 ILE 56 3.158 -1.843 10.207 382 HD13 ILE 56 2HD1 ILE 56 2.076 -2.703 11.318 383 H ALA 57 H ALA 57 1.651 -2.948 5.708 384 HA ALA 57 HA ALA 57 4.280 -1.770 5.361 385 HB1 ALA 57 1HB ALA 57 4.127 -3.637 3.549 386 HB2 ALA 57 2HB ALA 57 2.730 -2.724 2.869 387 HB3 ALA 57 3HB ALA 57 4.311 -1.987 2.919 388 H TYR 58 H TYR 58 4.075 0.182 4.074 389 HA TYR 58 HA TYR 58 1.377 1.042 3.176 390 HB3 TYR 58 2HB TYR 58 1.888 3.333 3.627 391 HD1 TYR 58 1HD TYR 58 3.523 1.305 6.360 392 HD2 TYR 58 2HD TYR 58 0.335 3.981 5.231 393 HE1 TYR 58 1HE TYR 58 2.653 1.210 8.648 394 HE2 TYR 58 2HE TYR 58 -0.459 4.025 7.557 395 HH TYR 58 HH TYR 58 0.003 3.342 9.794 396 H VAL 59 H VAL 59 1.557 1.885 0.982 397 HA VAL 59 HA VAL 59 4.224 2.271 -0.094 398 HB VAL 59 HB VAL 59 4.156 0.094 -0.511 399 HG11 VAL 59 1HG1 VAL 59 1.902 -0.559 0.020 400 HG12 VAL 59 2HG1 VAL 59 1.356 0.188 -1.537 401 HG13 VAL 59 3HG1 VAL 59 2.395 -1.233 -1.536 402 HG21 VAL 59 3HG2 VAL 59 3.977 -0.208 -2.959 403 HG22 VAL 59 1HG2 VAL 59 3.041 1.295 -3.071 404 HG23 VAL 59 2HG2 VAL 59 4.734 1.340 -2.568 405 H GLU 60 H GLU 60 4.420 4.046 -1.078 406 HA GLU 60 HA GLU 60 2.266 5.975 -1.197 407 HB3 GLU 60 2HB GLU 60 4.031 7.385 -2.202 408 HG3 GLU 60 2HG GLU 60 4.997 5.855 0.249 409 H PHE 61 H PHE 61 0.943 6.359 -3.046 410 HA PHE 61 HA PHE 61 1.840 5.117 -5.594 411 HB3 PHE 61 2HB PHE 61 -0.960 5.965 -5.530 412 HD1 PHE 61 2HD PHE 61 0.790 2.749 -4.882 413 HD2 PHE 61 1HD PHE 61 -1.326 5.142 -7.792 414 HE1 PHE 61 2HE PHE 61 0.866 0.870 -6.510 415 HE2 PHE 61 1HE PHE 61 -1.271 3.263 -9.390 416 HZ PHE 61 HZ PHE 61 -0.135 1.134 -8.787 417 H VAL 62 H VAL 62 1.520 6.317 -7.500 418 HA VAL 62 HA VAL 62 1.961 9.179 -7.098 419 HB VAL 62 HB VAL 62 1.775 7.486 -9.631 420 HG11 VAL 62 1HG1 VAL 62 1.492 9.849 -10.179 421 HG12 VAL 62 2HG1 VAL 62 2.896 10.291 -9.185 422 HG13 VAL 62 3HG1 VAL 62 3.103 9.327 -10.668 423 HG21 VAL 62 3HG2 VAL 62 4.220 8.355 -8.011 424 HG22 VAL 62 1HG2 VAL 62 3.626 6.688 -8.162 425 HG23 VAL 62 2HG2 VAL 62 4.264 7.530 -9.558 426 H ASP 63 H ASP 63 -0.731 7.041 -7.879 427 HA ASP 63 HA ASP 63 -2.398 9.322 -8.790 428 HB3 ASP 63 2HB ASP 63 -3.411 7.348 -10.211 429 H VAL 64 H VAL 64 -4.279 9.578 -8.044 430 HA VAL 64 HA VAL 64 -5.236 8.222 -5.704 431 HB VAL 64 HB VAL 64 -5.591 10.582 -6.091 432 HG11 VAL 64 1HG1 VAL 64 -5.548 10.983 -8.379 433 HG12 VAL 64 2HG1 VAL 64 -6.918 9.883 -8.702 434 HG13 VAL 64 3HG1 VAL 64 -7.177 11.405 -7.866 435 HG21 VAL 64 3HG2 VAL 64 -8.330 9.367 -6.393 436 HG22 VAL 64 1HG2 VAL 64 -7.389 9.331 -4.893 437 HG23 VAL 64 2HG2 VAL 64 -7.860 10.891 -5.596 438 H SER 65 H SER 65 -5.850 7.891 -9.205 439 HA SER 65 HA SER 65 -8.305 6.731 -9.172 440 HB3 SER 65 2HB SER 65 -7.917 6.445 -11.445 441 HG SER 65 HG SER 65 -6.546 8.087 -12.103 442 H SER 66 H SER 66 -5.089 5.037 -8.940 443 HA SER 66 HA SER 66 -6.360 2.454 -8.884 444 HB3 SER 66 2HB SER 66 -4.187 1.604 -8.384 445 HG SER 66 HG SER 66 -3.470 1.875 -10.259 446 H VAL 67 H VAL 67 -6.302 4.833 -6.393 447 HA VAL 67 HA VAL 67 -5.563 3.157 -4.195 448 HB VAL 67 HB VAL 67 -7.297 5.648 -4.301 449 HG11 VAL 67 1HG1 VAL 67 -6.983 5.710 -1.835 450 HG12 VAL 67 2HG1 VAL 67 -7.996 4.363 -2.381 451 HG13 VAL 67 3HG1 VAL 67 -6.312 4.058 -1.934 452 HG21 VAL 67 3HG2 VAL 67 -4.953 6.090 -4.862 453 HG22 VAL 67 1HG2 VAL 67 -5.312 6.699 -3.239 454 HG23 VAL 67 2HG2 VAL 67 -4.415 5.188 -3.433 455 HA PRO 68 HA PRO 68 -10.064 1.755 -3.886 456 HB3 PRO 68 2HB PRO 68 -11.654 3.293 -4.459 457 HG3 PRO 68 2HG PRO 68 -11.251 4.860 -6.210 458 HD3 PRO 68 2HD PRO 68 -9.417 5.036 -4.763 459 H LEU 69 H LEU 69 -8.111 1.662 -6.859 460 HA LEU 69 HA LEU 69 -9.212 -0.854 -7.712 461 HB3 LEU 69 2HB LEU 69 -6.379 0.121 -8.178 462 HG LEU 69 HG LEU 69 -6.573 -2.064 -9.060 463 HD11 LEU 69 1HD1 LEU 69 -8.924 -2.582 -9.054 464 HD12 LEU 69 2HD1 LEU 69 -8.395 -2.661 -10.728 465 HD13 LEU 69 3HD1 LEU 69 -9.295 -1.239 -10.171 466 HD21 LEU 69 3HD2 LEU 69 -5.589 -0.342 -10.512 467 HD22 LEU 69 1HD2 LEU 69 -7.182 0.028 -11.201 468 HD23 LEU 69 2HD2 LEU 69 -6.442 -1.557 -11.498 469 H ALA 70 H ALA 70 -6.472 0.113 -5.416 470 HA ALA 70 HA ALA 70 -5.825 -2.573 -4.816 471 HB1 ALA 70 1HB ALA 70 -4.747 -1.612 -2.837 472 HB2 ALA 70 2HB ALA 70 -4.456 -0.567 -4.230 473 HB3 ALA 70 3HB ALA 70 -5.685 -0.115 -3.012 474 H ILE 71 H ILE 71 -8.418 -0.481 -3.556 475 HA ILE 71 HA ILE 71 -9.366 -2.273 -1.520 476 HB ILE 71 HB ILE 71 -10.880 -0.217 -3.189 477 HG13 ILE 71 2HG1 ILE 71 -9.012 0.645 -1.721 478 HG21 ILE 71 1HG2 ILE 71 -12.485 -1.846 -2.350 479 HG22 ILE 71 2HG2 ILE 71 -11.776 -1.763 -0.732 480 HG23 ILE 71 3HG2 ILE 71 -12.639 -0.367 -1.421 481 HD11 ILE 71 3HD1 ILE 71 -10.166 2.357 -0.548 482 HD12 ILE 71 1HD1 ILE 71 -11.110 2.071 -2.025 483 HD13 ILE 71 2HD1 ILE 71 -11.663 1.432 -0.463 484 H GLY 72 H GLY 72 -10.058 -2.038 -5.015 485 HA2 GLY 72 1HA GLY 72 -12.000 -4.086 -5.188 486 HA3 GLY 72 2HA GLY 72 -11.003 -3.454 -6.497 487 H LEU 73 H LEU 73 -8.652 -4.441 -4.478 488 HA LEU 73 HA LEU 73 -8.468 -7.137 -5.745 489 HB3 LEU 73 2HB LEU 73 -6.044 -6.764 -5.529 490 HG LEU 73 HG LEU 73 -7.648 -4.696 -7.065 491 HD11 LEU 73 1HD1 LEU 73 -5.475 -3.695 -6.628 492 HD12 LEU 73 2HD1 LEU 73 -5.623 -4.180 -8.312 493 HD13 LEU 73 3HD1 LEU 73 -4.661 -5.169 -7.193 494 HD21 LEU 73 3HD2 LEU 73 -6.108 -7.132 -7.995 495 HD22 LEU 73 1HD2 LEU 73 -7.032 -6.019 -9.005 496 HD23 LEU 73 2HD2 LEU 73 -7.887 -7.021 -7.843 497 H THR 74 H THR 74 -9.303 -5.966 -2.766 498 HA THR 74 HA THR 74 -7.680 -7.152 -0.880 499 HB THR 74 HB THR 74 -9.398 -5.627 -0.408 500 HG1 THR 74 1HG THR 74 -8.601 -7.584 1.025 501 HG21 THR 74 3HG2 THR 74 -11.230 -6.552 -1.833 502 HG22 THR 74 1HG2 THR 74 -11.733 -6.322 -0.159 503 HG23 THR 74 2HG2 THR 74 -11.351 -7.944 -0.751 504 H GLY 75 H GLY 75 -9.738 -8.824 -3.169 505 HA2 GLY 75 1HA GLY 75 -9.774 -11.326 -1.571 506 HA3 GLY 75 2HA GLY 75 -10.894 -10.857 -2.858 507 H GLN 76 H GLN 76 -7.498 -10.199 -3.412 508 HA GLN 76 HA GLN 76 -7.215 -12.627 -5.121 509 HB3 GLN 76 2HB GLN 76 -5.448 -11.453 -6.243 510 HG3 GLN 76 2HG GLN 76 -7.718 -9.469 -6.295 511 HE21 GLN 76 1HE2 GLN 76 -8.331 -9.501 -8.889 512 HE22 GLN 76 2HE2 GLN 76 -6.948 -9.157 -9.883 513 H ARG 77 H ARG 77 -4.685 -13.168 -5.145 514 HA ARG 77 HA ARG 77 -3.348 -12.733 -2.574 515 HB3 ARG 77 2HB ARG 77 -4.631 -14.578 -1.890 516 HG3 ARG 77 2HG ARG 77 -4.324 -15.571 -4.708 517 HD3 ARG 77 2HD ARG 77 -3.068 -17.270 -3.432 518 HE ARG 77 HE ARG 77 -5.422 -17.068 -1.708 519 HH11 ARG 77 1HH1 ARG 77 -2.614 -19.161 -2.563 520 HH12 ARG 77 2HH1 ARG 77 -2.881 -20.188 -1.190 521 HH21 ARG 77 1HH2 ARG 77 -5.603 -18.369 0.119 522 HH22 ARG 77 2HH2 ARG 77 -4.487 -19.661 0.430 523 H VAL 78 H VAL 78 -1.577 -11.765 -3.671 524 HA VAL 78 HA VAL 78 -0.327 -13.010 -5.944 525 HB VAL 78 HB VAL 78 0.822 -11.113 -3.841 526 HG11 VAL 78 1HG1 VAL 78 2.587 -10.620 -5.520 527 HG12 VAL 78 2HG1 VAL 78 2.665 -12.272 -4.950 528 HG13 VAL 78 3HG1 VAL 78 1.964 -11.918 -6.551 529 HG21 VAL 78 3HG2 VAL 78 0.582 -9.605 -6.073 530 HG22 VAL 78 1HG2 VAL 78 -0.732 -10.721 -6.378 531 HG23 VAL 78 2HG2 VAL 78 -0.711 -9.769 -4.883 532 H LEU 79 H LEU 79 0.322 -15.089 -5.817 533 HA LEU 79 HA LEU 79 1.371 -16.993 -5.143 534 HB3 LEU 79 2HB LEU 79 3.645 -16.783 -4.462 535 HG LEU 79 HG LEU 79 3.117 -14.239 -6.047 536 HD11 LEU 79 1HD1 LEU 79 5.390 -14.492 -5.105 537 HD12 LEU 79 2HD1 LEU 79 5.378 -14.530 -6.876 538 HD13 LEU 79 3HD1 LEU 79 5.556 -16.040 -5.965 539 HD21 LEU 79 3HD2 LEU 79 2.019 -16.032 -7.280 540 HD22 LEU 79 1HD2 LEU 79 3.448 -17.062 -7.106 541 HD23 LEU 79 2HD2 LEU 79 3.526 -15.600 -8.096 542 H GLY 80 H GLY 80 -0.695 -16.107 -3.434 543 HA2 GLY 80 1HA GLY 80 -1.665 -17.031 -1.498 544 HA3 GLY 80 2HA GLY 80 -0.127 -17.742 -1.065 545 H VAL 81 H VAL 81 -0.476 -14.258 -1.771 546 HA VAL 81 HA VAL 81 -0.494 -13.586 1.124 547 HB VAL 81 HB VAL 81 1.026 -12.034 -0.963 548 HG11 VAL 81 1HG1 VAL 81 1.991 -11.037 1.104 549 HG12 VAL 81 2HG1 VAL 81 0.242 -10.862 1.102 550 HG13 VAL 81 3HG1 VAL 81 0.990 -12.132 2.089 551 HG21 VAL 81 3HG2 VAL 81 1.948 -14.254 0.860 552 HG22 VAL 81 1HG2 VAL 81 2.226 -14.094 -0.880 553 HG23 VAL 81 2HG2 VAL 81 3.053 -13.007 0.247 554 HA PRO 82 HA PRO 82 -4.113 -11.578 -0.918 555 HB3 PRO 82 2HB PRO 82 -5.532 -13.171 0.100 556 HG3 PRO 82 2HG PRO 82 -5.009 -13.992 2.327 557 HD3 PRO 82 2HD PRO 82 -3.249 -14.580 0.813 558 H ILE 83 H ILE 83 -5.424 -9.606 -0.063 559 HA ILE 83 HA ILE 83 -3.764 -8.012 1.787 560 HB ILE 83 HB ILE 83 -3.044 -7.719 -0.593 561 HG13 ILE 83 2HG1 ILE 83 -2.760 -6.032 1.267 562 HG21 ILE 83 1HG2 ILE 83 -4.377 -6.547 -2.209 563 HG22 ILE 83 2HG2 ILE 83 -5.338 -7.903 -1.637 564 HG23 ILE 83 3HG2 ILE 83 -5.678 -6.261 -1.043 565 HD11 ILE 83 3HD1 ILE 83 -2.907 -4.880 -1.544 566 HD12 ILE 83 1HD1 ILE 83 -1.990 -4.229 -0.176 567 HD13 ILE 83 2HD1 ILE 83 -1.541 -5.801 -0.868 568 H ILE 84 H ILE 84 -4.918 -5.944 2.476 569 HA ILE 84 HA ILE 84 -7.801 -6.559 2.917 570 HB ILE 84 HB ILE 84 -5.821 -4.896 4.519 571 HG13 ILE 84 2HG1 ILE 84 -6.097 -6.582 6.268 572 HG21 ILE 84 1HG2 ILE 84 -7.583 -4.764 6.265 573 HG22 ILE 84 2HG2 ILE 84 -7.982 -3.850 4.836 574 HG23 ILE 84 3HG2 ILE 84 -8.761 -5.409 5.112 575 HD11 ILE 84 3HD1 ILE 84 -8.322 -7.557 5.672 576 HD12 ILE 84 1HD1 ILE 84 -7.562 -8.328 4.252 577 HD13 ILE 84 2HD1 ILE 84 -7.046 -8.758 5.894 578 H VAL 85 H VAL 85 -9.210 -4.578 2.877 579 HA VAL 85 HA VAL 85 -8.771 -2.994 0.539 580 HB VAL 85 HB VAL 85 -10.819 -1.871 1.209 581 HG11 VAL 85 1HG1 VAL 85 -12.247 -3.853 1.006 582 HG12 VAL 85 2HG1 VAL 85 -10.779 -4.067 0.019 583 HG13 VAL 85 3HG1 VAL 85 -10.924 -4.910 1.567 584 HG21 VAL 85 3HG2 VAL 85 -10.643 -1.711 3.615 585 HG22 VAL 85 1HG2 VAL 85 -12.094 -2.624 3.202 586 HG23 VAL 85 2HG2 VAL 85 -10.652 -3.477 3.793 587 H GLN 86 H GLN 86 -7.641 -2.532 3.780 588 HA GLN 86 HA GLN 86 -8.499 -0.244 4.560 589 HB3 GLN 86 2HB GLN 86 -6.069 0.153 5.625 590 HG3 GLN 86 2HG GLN 86 -7.661 -2.306 6.439 591 HE21 GLN 86 1HE2 GLN 86 -6.132 0.769 7.773 592 HE22 GLN 86 2HE2 GLN 86 -5.319 -0.102 9.072 593 H ALA 87 H ALA 87 -5.692 -0.185 2.318 594 HA ALA 87 HA ALA 87 -4.678 1.519 1.255 595 HB1 ALA 87 1HB ALA 87 -7.586 2.314 1.012 596 HB2 ALA 87 2HB ALA 87 -6.276 2.972 0.020 597 HB3 ALA 87 3HB ALA 87 -6.666 1.245 -0.058 598 H SER 88 H SER 88 -4.158 1.969 3.875 599 HA SER 88 HA SER 88 -4.067 3.235 5.642 600 HB3 SER 88 2HB SER 88 -2.251 4.197 5.214 601 HG SER 88 HG SER 88 -2.497 4.599 2.507 602 H GLN 89 H GLN 89 -4.258 6.128 5.874 603 HA GLN 89 HA GLN 89 -7.191 6.545 5.579 604 HB3 GLN 89 2HB GLN 89 -6.871 8.075 7.605 605 HG3 GLN 89 2HG GLN 89 -7.175 5.191 7.519 606 HE21 GLN 89 1HE2 GLN 89 -5.740 3.779 8.482 607 HE22 GLN 89 2HE2 GLN 89 -5.054 4.042 10.086 608 H ALA 90 H ALA 90 -6.941 9.395 6.080 609 HA ALA 90 HA ALA 90 -4.867 10.299 4.247 610 HB1 ALA 90 1HB ALA 90 -6.462 11.623 2.860 611 HB2 ALA 90 2HB ALA 90 -6.751 9.878 2.677 612 HB3 ALA 90 3HB ALA 90 -7.814 10.869 3.691 613 H GLU 91 H GLU 91 -4.543 12.484 4.345 614 HA GLU 91 HA GLU 91 -4.637 13.687 6.919 615 HB3 GLU 91 2HB GLU 91 -3.429 15.504 5.465 616 HG3 GLU 91 2HG GLU 91 -1.466 14.038 4.956 617 H LYS 92 H LYS 92 -7.297 13.379 6.062 618 HA LYS 92 HA LYS 92 -8.235 16.199 5.836 619 HB3 LYS 92 2HB LYS 92 -9.934 15.728 4.287 620 HG3 LYS 92 2HG LYS 92 -7.953 13.892 2.949 621 HD3 LYS 92 2HD LYS 92 -8.110 15.656 1.145 622 HE3 LYS 92 2HE LYS 92 -10.534 15.470 0.545 623 HZ1 LYS 92 3HZ LYS 92 -9.403 12.851 1.327 624 HZ2 LYS 92 1HZ LYS 92 -9.035 13.674 -0.075 625 HZ3 LYS 92 2HZ LYS 92 -10.535 13.145 0.189 626 H ASN 93 H ASN 93 -10.057 16.679 7.214 627 HA ASN 93 HA ASN 93 -11.675 14.555 8.259 628 HB3 ASN 93 2HB ASN 93 -10.702 16.068 10.592 629 HD21 ASN 93 1HD2 ASN 93 -9.105 13.091 10.495 630 HD22 ASN 93 2HD2 ASN 93 -10.359 12.114 11.230 631 H ARG 94 H ARG 94 -13.643 15.410 8.733 632 HA ARG 94 HA ARG 94 -15.393 16.794 8.748 633 HB3 ARG 94 2HB ARG 94 -15.368 18.456 10.583 634 HG3 ARG 94 2HG ARG 94 -15.382 15.686 10.800 635 HD3 ARG 94 2HD ARG 94 -13.046 15.930 11.831 636 HE ARG 94 HE ARG 94 -13.763 17.986 13.228 637 HH11 ARG 94 1HH1 ARG 94 -13.443 14.634 14.500 638 HH12 ARG 94 2HH1 ARG 94 -13.452 15.115 16.148 639 HH21 ARG 94 1HH2 ARG 94 -13.436 18.613 15.456 640 HH22 ARG 94 2HH2 ARG 94 -13.469 17.399 16.691 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -19.641 14.225 -4.994 2 HA2 GLY 1 1HA GLY 1 -17.931 12.964 -6.214 3 HA3 GLY 1 2HA GLY 1 -18.061 14.184 -7.495 4 H HIS 2 H HIS 2 -16.060 13.298 -5.005 5 HA HIS 2 HA HIS 2 -15.115 16.012 -4.350 6 HB3 HIS 2 2HB HIS 2 -12.903 14.555 -4.128 7 HD1 HIS 2 1HD HIS 2 -13.306 16.577 -2.197 8 HD2 HIS 2 2HD HIS 2 -15.058 12.753 -1.666 9 HE1 HIS 2 1HE HIS 2 -13.907 16.379 0.245 10 H MET 3 H MET 3 -13.577 17.138 -5.553 11 HA MET 3 HA MET 3 -12.334 15.820 -7.868 12 HB3 MET 3 2HB MET 3 -14.356 16.784 -8.844 13 HG3 MET 3 2HG MET 3 -13.331 19.424 -7.728 14 HE1 MET 3 3HE MET 3 -12.773 19.581 -10.662 15 HE2 MET 3 1HE MET 3 -13.735 20.968 -11.204 16 HE3 MET 3 2HE MET 3 -12.886 21.035 -9.642 17 H ASN 4 H ASN 4 -11.952 17.560 -5.157 18 HA ASN 4 HA ASN 4 -9.775 19.374 -5.938 19 HB3 ASN 4 2HB ASN 4 -11.681 20.284 -4.576 20 HD21 ASN 4 1HD2 ASN 4 -10.501 19.677 -1.509 21 HD22 ASN 4 2HD2 ASN 4 -11.469 18.314 -1.053 22 H LEU 5 H LEU 5 -7.989 19.339 -4.101 23 HA LEU 5 HA LEU 5 -7.645 16.883 -2.613 24 HB3 LEU 5 2HB LEU 5 -5.433 17.578 -4.558 25 HG LEU 5 HG LEU 5 -5.467 15.736 -2.598 26 HD11 LEU 5 1HD1 LEU 5 -6.103 13.513 -3.465 27 HD12 LEU 5 2HD1 LEU 5 -6.633 14.229 -4.997 28 HD13 LEU 5 3HD1 LEU 5 -7.511 14.589 -3.497 29 HD21 LEU 5 3HD2 LEU 5 -3.608 16.212 -4.135 30 HD22 LEU 5 1HD2 LEU 5 -4.333 15.154 -5.367 31 HD23 LEU 5 2HD2 LEU 5 -3.779 14.494 -3.803 32 H THR 6 H THR 6 -5.781 17.240 -1.037 33 HA THR 6 HA THR 6 -4.986 20.053 -0.703 34 HB THR 6 HB THR 6 -5.430 18.963 1.345 35 HG1 THR 6 1HG THR 6 -3.758 19.707 2.205 36 HG21 THR 6 3HG2 THR 6 -3.575 16.741 0.571 37 HG22 THR 6 1HG2 THR 6 -5.338 16.588 0.710 38 HG23 THR 6 2HG2 THR 6 -4.361 16.905 2.144 39 HA PRO 7 HA PRO 7 -0.914 19.584 -2.691 40 HB3 PRO 7 2HB PRO 7 -0.279 21.666 -2.121 41 HG3 PRO 7 2HG PRO 7 -1.138 22.739 -0.174 42 HD3 PRO 7 2HD PRO 7 -2.941 21.858 -1.477 43 H GLU 8 H GLU 8 -1.404 18.654 0.798 44 HA GLU 8 HA GLU 8 1.245 17.415 0.867 45 HB3 GLU 8 2HB GLU 8 0.512 16.567 3.087 46 HG3 GLU 8 2HG GLU 8 -0.199 19.504 2.725 47 H GLU 9 H GLU 9 -2.001 16.256 0.190 48 HA GLU 9 HA GLU 9 -1.599 13.448 0.472 49 HB3 GLU 9 2HB GLU 9 -3.479 15.162 -1.217 50 HG3 GLU 9 2HG GLU 9 -3.432 12.836 -2.049 51 H ARG 10 H ARG 10 -1.136 15.757 -2.195 52 HA ARG 10 HA ARG 10 -0.604 13.738 -4.188 53 HB3 ARG 10 2HB ARG 10 0.095 16.712 -4.173 54 HG3 ARG 10 2HG ARG 10 -0.347 14.708 -6.424 55 HD3 ARG 10 2HD ARG 10 0.016 17.731 -6.548 56 HE ARG 10 HE ARG 10 1.063 16.441 -8.347 57 HH11 ARG 10 1HH1 ARG 10 -2.425 17.317 -8.663 58 HH12 ARG 10 2HH1 ARG 10 -2.468 16.837 -10.313 59 HH21 ARG 10 1HH2 ARG 10 0.874 15.825 -10.592 60 HH22 ARG 10 2HH2 ARG 10 -0.673 16.024 -11.366 61 H ASP 11 H ASP 11 1.322 15.152 -1.695 62 HA ASP 11 HA ASP 11 3.885 14.536 -2.986 63 HB3 ASP 11 2HB ASP 11 3.948 15.199 -0.107 64 H ALA 12 H ALA 12 1.773 13.363 -0.409 65 HA ALA 12 HA ALA 12 3.399 11.554 0.889 66 HB1 ALA 12 1HB ALA 12 1.225 12.219 1.733 67 HB2 ALA 12 2HB ALA 12 0.392 11.418 0.394 68 HB3 ALA 12 3HB ALA 12 1.267 10.453 1.587 69 H ARG 13 H ARG 13 1.009 10.679 -1.605 70 HA ARG 13 HA ARG 13 0.778 8.948 -3.039 71 HB3 ARG 13 2HB ARG 13 2.700 8.528 -4.525 72 HG3 ARG 13 2HG ARG 13 2.472 11.462 -3.777 73 HD3 ARG 13 2HD ARG 13 3.729 10.004 -6.136 74 HE ARG 13 HE ARG 13 2.632 12.598 -6.146 75 HH11 ARG 13 1HH1 ARG 13 5.950 11.531 -6.147 76 HH12 ARG 13 2HH1 ARG 13 6.521 12.503 -7.434 77 HH21 ARG 13 1HH2 ARG 13 3.160 13.686 -8.144 78 HH22 ARG 13 2HH2 ARG 13 4.844 14.009 -8.483 79 H THR 14 H THR 14 0.478 7.632 -0.807 80 HA THR 14 HA THR 14 2.477 5.449 -0.912 81 HB THR 14 HB THR 14 1.554 6.037 1.776 82 HG1 THR 14 1HG THR 14 2.987 8.082 0.491 83 HG21 THR 14 3HG2 THR 14 3.444 4.574 1.199 84 HG22 THR 14 1HG2 THR 14 3.922 5.892 2.304 85 HG23 THR 14 2HG2 THR 14 4.336 5.983 0.574 86 H VAL 15 H VAL 15 1.637 3.377 -0.433 87 HA VAL 15 HA VAL 15 -1.236 3.330 0.314 88 HB VAL 15 HB VAL 15 -1.561 1.294 -1.024 89 HG11 VAL 15 1HG1 VAL 15 -2.298 3.608 -1.592 90 HG12 VAL 15 2HG1 VAL 15 -0.853 3.798 -2.600 91 HG13 VAL 15 3HG1 VAL 15 -2.068 2.571 -3.019 92 HG21 VAL 15 3HG2 VAL 15 0.670 0.534 -1.596 93 HG22 VAL 15 1HG2 VAL 15 -0.153 0.996 -3.087 94 HG23 VAL 15 2HG2 VAL 15 1.059 2.078 -2.395 95 H PHE 16 H PHE 16 -1.523 2.642 2.180 96 HA PHE 16 HA PHE 16 0.482 1.167 3.570 97 HB3 PHE 16 2HB PHE 16 -2.188 2.223 4.536 98 HD1 PHE 16 1HD PHE 16 1.166 0.872 5.642 99 HD2 PHE 16 2HD PHE 16 -2.881 1.821 6.790 100 HE1 PHE 16 1HE PHE 16 1.480 -0.354 7.752 101 HE2 PHE 16 2HE PHE 16 -2.477 0.764 8.993 102 HZ PHE 16 HZ PHE 16 -0.345 -0.431 9.430 103 H CYS 17 H CYS 17 0.660 -0.773 2.948 104 HA CYS 17 HA CYS 17 -1.595 -2.621 2.521 105 HB3 CYS 17 2HB CYS 17 0.095 -4.223 1.928 106 HG CYS 17 HG CYS 17 0.848 -1.159 0.798 107 H MET 18 H MET 18 -2.531 -2.714 4.633 108 HA MET 18 HA MET 18 -0.790 -3.385 6.857 109 HB3 MET 18 2HB MET 18 -3.782 -2.942 6.946 110 HG3 MET 18 2HG MET 18 -1.602 -2.382 9.000 111 HE1 MET 18 3HE MET 18 -5.555 -2.209 8.249 112 HE2 MET 18 1HE MET 18 -5.259 -3.546 9.396 113 HE3 MET 18 2HE MET 18 -6.104 -2.078 9.935 114 H GLN 19 H GLN 19 -1.598 -5.543 4.693 115 HA GLN 19 HA GLN 19 -2.675 -7.559 6.589 116 HB3 GLN 19 2HB GLN 19 -3.907 -7.106 3.856 117 HG3 GLN 19 2HG GLN 19 -4.801 -8.334 6.523 118 HE21 GLN 19 1HE2 GLN 19 -5.980 -7.121 3.280 119 HE22 GLN 19 2HE2 GLN 19 -7.627 -7.268 3.700 120 H LEU 20 H LEU 20 -0.026 -7.355 5.819 121 HA LEU 20 HA LEU 20 0.503 -8.977 3.483 122 HB3 LEU 20 2HB LEU 20 2.889 -8.619 4.144 123 HG LEU 20 HG LEU 20 1.363 -6.015 4.442 124 HD11 LEU 20 1HD1 LEU 20 4.120 -6.674 3.328 125 HD12 LEU 20 2HD1 LEU 20 3.778 -5.921 4.904 126 HD13 LEU 20 3HD1 LEU 20 3.364 -5.070 3.406 127 HD21 LEU 20 3HD2 LEU 20 1.671 -5.803 1.926 128 HD22 LEU 20 1HD2 LEU 20 0.449 -6.973 2.427 129 HD23 LEU 20 2HD2 LEU 20 2.050 -7.532 1.902 130 H ALA 21 H ALA 21 1.489 -10.924 3.326 131 HA ALA 21 HA ALA 21 1.181 -12.955 5.403 132 HB1 ALA 21 1HB ALA 21 2.263 -14.445 3.748 133 HB2 ALA 21 2HB ALA 21 0.841 -13.634 3.069 134 HB3 ALA 21 3HB ALA 21 2.493 -13.075 2.649 135 H ALA 22 H ALA 22 2.945 -13.933 6.404 136 HA ALA 22 HA ALA 22 4.929 -12.207 7.322 137 HB1 ALA 22 1HB ALA 22 5.602 -14.211 8.650 138 HB2 ALA 22 2HB ALA 22 3.847 -13.980 8.627 139 HB3 ALA 22 3HB ALA 22 4.604 -15.232 7.607 140 H ARG 23 H ARG 23 5.277 -13.683 4.327 141 HA ARG 23 HA ARG 23 8.175 -14.311 4.751 142 HB3 ARG 23 2HB ARG 23 6.386 -15.638 2.684 143 HG3 ARG 23 2HG ARG 23 8.883 -16.118 2.613 144 HD3 ARG 23 2HD ARG 23 8.520 -17.921 4.966 145 HE ARG 23 HE ARG 23 10.785 -16.428 3.721 146 HH11 ARG 23 1HH1 ARG 23 9.763 -19.023 5.986 147 HH12 ARG 23 2HH1 ARG 23 11.374 -19.591 6.212 148 HH21 ARG 23 1HH2 ARG 23 12.889 -17.325 3.972 149 HH22 ARG 23 2HH2 ARG 23 13.144 -18.730 4.959 150 H ILE 24 H ILE 24 6.396 -11.998 3.285 151 HA ILE 24 HA ILE 24 6.730 -12.323 0.617 152 HB ILE 24 HB ILE 24 5.097 -11.065 1.654 153 HG13 ILE 24 2HG1 ILE 24 6.148 -10.406 -0.656 154 HG21 ILE 24 1HG2 ILE 24 5.432 -8.765 2.623 155 HG22 ILE 24 2HG2 ILE 24 6.193 -10.027 3.593 156 HG23 ILE 24 3HG2 ILE 24 7.179 -9.017 2.523 157 HD11 ILE 24 3HD1 ILE 24 3.764 -10.239 -0.167 158 HD12 ILE 24 1HD1 ILE 24 4.048 -8.655 0.601 159 HD13 ILE 24 2HD1 ILE 24 4.359 -8.893 -1.129 160 H ARG 25 H ARG 25 7.916 -11.298 -1.024 161 HA ARG 25 HA ARG 25 10.707 -10.396 -0.403 162 HB3 ARG 25 2HB ARG 25 10.451 -10.389 -3.161 163 HG3 ARG 25 2HG ARG 25 11.266 -12.597 -1.247 164 HD3 ARG 25 2HD ARG 25 12.289 -13.567 -3.462 165 HE ARG 25 HE ARG 25 9.362 -14.019 -3.111 166 HH11 ARG 25 1HH1 ARG 25 12.681 -15.263 -2.641 167 HH12 ARG 25 2HH1 ARG 25 12.160 -16.693 -1.824 168 HH21 ARG 25 1HH2 ARG 25 8.693 -15.836 -2.079 169 HH22 ARG 25 2HH2 ARG 25 9.772 -17.066 -1.489 170 HA PRO 26 HA PRO 26 9.659 -6.161 -1.042 171 HB3 PRO 26 2HB PRO 26 11.805 -5.407 -1.123 172 HG3 PRO 26 2HG PRO 26 13.519 -6.830 -1.933 173 HD3 PRO 26 2HD PRO 26 12.241 -8.224 -0.515 174 H ARG 27 H ARG 27 10.588 -7.553 -4.249 175 HA ARG 27 HA ARG 27 8.984 -5.759 -5.678 176 HB3 ARG 27 2HB ARG 27 10.131 -8.418 -6.531 177 HG3 ARG 27 2HG ARG 27 8.664 -6.292 -8.039 178 HD3 ARG 27 2HD ARG 27 10.848 -5.667 -8.730 179 HE ARG 27 HE ARG 27 11.412 -8.532 -8.930 180 HH11 ARG 27 1HH1 ARG 27 12.328 -5.296 -10.180 181 HH12 ARG 27 2HH1 ARG 27 13.983 -5.699 -10.407 182 HH21 ARG 27 1HH2 ARG 27 13.627 -9.105 -9.421 183 HH22 ARG 27 2HH2 ARG 27 14.780 -7.838 -9.691 184 H ASP 28 H ASP 28 7.950 -8.575 -3.956 185 HA ASP 28 HA ASP 28 5.698 -9.408 -5.490 186 HB3 ASP 28 2HB ASP 28 4.775 -9.989 -3.127 187 H LEU 29 H LEU 29 6.252 -6.654 -3.301 188 HA LEU 29 HA LEU 29 3.435 -6.122 -2.926 189 HB3 LEU 29 2HB LEU 29 4.220 -3.868 -2.127 190 HG LEU 29 HG LEU 29 5.053 -4.437 -0.055 191 HD11 LEU 29 1HD1 LEU 29 3.554 -6.920 -0.973 192 HD12 LEU 29 2HD1 LEU 29 2.812 -5.380 -0.479 193 HD13 LEU 29 3HD1 LEU 29 3.733 -6.330 0.697 194 HD21 LEU 29 3HD2 LEU 29 6.105 -7.067 -1.121 195 HD22 LEU 29 1HD2 LEU 29 6.216 -6.490 0.540 196 HD23 LEU 29 2HD2 LEU 29 7.077 -5.656 -0.754 197 H GLU 30 H GLU 30 6.011 -4.647 -4.923 198 HA GLU 30 HA GLU 30 4.176 -2.737 -6.072 199 HB3 GLU 30 2HB GLU 30 6.508 -2.148 -5.910 200 HG3 GLU 30 2HG GLU 30 6.993 -4.617 -7.584 201 H GLU 31 H GLU 31 5.086 -6.056 -6.843 202 HA GLU 31 HA GLU 31 4.132 -6.011 -9.518 203 HB3 GLU 31 2HB GLU 31 3.885 -8.614 -8.892 204 HG3 GLU 31 2HG GLU 31 6.381 -8.762 -9.064 205 H PHE 32 H PHE 32 2.467 -6.367 -6.506 206 HA PHE 32 HA PHE 32 -0.090 -7.146 -7.645 207 HB3 PHE 32 2HB PHE 32 0.448 -5.353 -5.260 208 HD1 PHE 32 2HD PHE 32 -2.012 -7.613 -7.061 209 HD2 PHE 32 1HD PHE 32 -1.433 -4.608 -3.996 210 HE1 PHE 32 2HE PHE 32 -4.394 -7.536 -6.712 211 HE2 PHE 32 1HE PHE 32 -3.886 -4.527 -3.668 212 HZ PHE 32 HZ PHE 32 -5.378 -6.032 -4.974 213 H PHE 33 H PHE 33 1.645 -4.054 -7.448 214 HA PHE 33 HA PHE 33 -0.715 -2.570 -8.390 215 HB3 PHE 33 2HB PHE 33 0.687 -0.617 -8.065 216 HD1 PHE 33 2HD PHE 33 -1.548 -1.470 -6.514 217 HD2 PHE 33 1HD PHE 33 2.602 -1.498 -5.355 218 HE1 PHE 33 2HE PHE 33 -2.205 -1.658 -4.159 219 HE2 PHE 33 1HE PHE 33 1.942 -1.700 -2.998 220 HZ PHE 33 HZ PHE 33 -0.445 -1.786 -2.377 221 H SER 34 H SER 34 2.277 -3.819 -9.748 222 HA SER 34 HA SER 34 2.837 -1.971 -11.687 223 HB3 SER 34 2HB SER 34 4.377 -3.715 -10.926 224 HG SER 34 HG SER 34 4.136 -5.822 -11.630 225 H THR 35 H THR 35 0.307 -4.181 -11.719 226 HA THR 35 HA THR 35 -0.097 -4.617 -14.524 227 HB THR 35 HB THR 35 -1.179 -6.123 -13.164 228 HG1 THR 35 1HG THR 35 -2.602 -5.647 -14.658 229 HG21 THR 35 3HG2 THR 35 -2.803 -5.572 -11.354 230 HG22 THR 35 1HG2 THR 35 -2.258 -3.879 -11.443 231 HG23 THR 35 2HG2 THR 35 -1.130 -5.179 -11.003 232 H VAL 36 H VAL 36 -0.995 -1.998 -12.265 233 HA VAL 36 HA VAL 36 -1.678 -0.237 -14.525 234 HB VAL 36 HB VAL 36 -3.857 0.396 -13.397 235 HG11 VAL 36 1HG1 VAL 36 -5.187 -1.216 -14.547 236 HG12 VAL 36 2HG1 VAL 36 -3.739 -0.896 -15.514 237 HG13 VAL 36 3HG1 VAL 36 -3.861 -2.392 -14.576 238 HG21 VAL 36 3HG2 VAL 36 -3.741 -2.370 -12.143 239 HG22 VAL 36 1HG2 VAL 36 -3.433 -0.882 -11.228 240 HG23 VAL 36 2HG2 VAL 36 -5.008 -1.156 -11.986 241 H GLY 37 H GLY 37 0.603 0.070 -13.129 242 HA2 GLY 37 1HA GLY 37 0.384 2.719 -12.260 243 HA3 GLY 37 2HA GLY 37 0.295 1.710 -10.810 244 H LYS 38 H LYS 38 2.395 3.569 -11.320 245 HA LYS 38 HA LYS 38 4.703 1.696 -11.494 246 HB3 LYS 38 2HB LYS 38 4.701 4.685 -11.992 247 HG3 LYS 38 2HG LYS 38 6.853 2.542 -12.330 248 HD3 LYS 38 2HD LYS 38 8.329 4.504 -12.699 249 HE3 LYS 38 2HE LYS 38 6.253 4.964 -14.810 250 HZ1 LYS 38 3HZ LYS 38 8.616 5.530 -15.134 251 HZ2 LYS 38 1HZ LYS 38 8.162 4.326 -16.191 252 HZ3 LYS 38 2HZ LYS 38 9.034 3.954 -14.884 253 H VAL 39 H VAL 39 5.768 1.379 -9.730 254 HA VAL 39 HA VAL 39 5.151 2.943 -7.278 255 HB VAL 39 HB VAL 39 6.474 0.227 -7.719 256 HG11 VAL 39 1HG1 VAL 39 6.359 0.048 -5.220 257 HG12 VAL 39 2HG1 VAL 39 7.472 1.301 -5.765 258 HG13 VAL 39 3HG1 VAL 39 5.869 1.751 -5.152 259 HG21 VAL 39 3HG2 VAL 39 4.411 -0.556 -6.479 260 HG22 VAL 39 1HG2 VAL 39 3.748 1.081 -6.600 261 HG23 VAL 39 2HG2 VAL 39 4.053 0.117 -8.061 262 H ARG 40 H ARG 40 6.883 3.849 -6.093 263 HA ARG 40 HA ARG 40 9.309 4.513 -7.670 264 HB3 ARG 40 2HB ARG 40 8.102 5.985 -5.308 265 HG3 ARG 40 2HG ARG 40 10.456 6.578 -5.657 266 HD3 ARG 40 2HD ARG 40 10.621 8.138 -7.894 267 HE ARG 40 HE ARG 40 12.023 5.989 -7.003 268 HH11 ARG 40 1HH1 ARG 40 11.236 7.335 -10.221 269 HH12 ARG 40 2HH1 ARG 40 12.416 6.399 -11.045 270 HH21 ARG 40 1HH2 ARG 40 13.473 4.635 -8.120 271 HH22 ARG 40 2HH2 ARG 40 13.609 4.748 -9.849 272 H ASP 41 H ASP 41 8.143 3.520 -4.347 273 HA ASP 41 HA ASP 41 10.293 1.672 -4.229 274 HB3 ASP 41 2HB ASP 41 10.508 3.527 -1.901 275 H VAL 42 H VAL 42 10.246 0.838 -1.635 276 HA VAL 42 HA VAL 42 7.435 0.204 -1.013 277 HB VAL 42 HB VAL 42 7.768 -1.085 -2.928 278 HG11 VAL 42 1HG1 VAL 42 10.508 -1.990 -2.007 279 HG12 VAL 42 2HG1 VAL 42 9.624 -2.601 -3.414 280 HG13 VAL 42 3HG1 VAL 42 10.157 -0.916 -3.378 281 HG21 VAL 42 3HG2 VAL 42 8.544 -2.991 -0.726 282 HG22 VAL 42 1HG2 VAL 42 6.876 -2.413 -1.044 283 HG23 VAL 42 2HG2 VAL 42 7.752 -3.373 -2.249 284 H ARG 43 H ARG 43 7.615 0.746 1.229 285 HA ARG 43 HA ARG 43 10.074 -0.260 2.611 286 HB3 ARG 43 2HB ARG 43 9.994 1.669 3.952 287 HG3 ARG 43 2HG ARG 43 9.273 2.914 1.305 288 HD3 ARG 43 2HD ARG 43 11.684 3.965 2.050 289 HE ARG 43 HE ARG 43 9.724 5.321 3.620 290 HH11 ARG 43 1HH1 ARG 43 10.807 4.820 0.258 291 HH12 ARG 43 2HH1 ARG 43 9.962 6.194 -0.375 292 HH21 ARG 43 1HH2 ARG 43 9.215 7.468 2.887 293 HH22 ARG 43 2HH2 ARG 43 9.280 7.807 1.208 294 H MET 44 H MET 44 9.757 -1.635 4.406 295 HA MET 44 HA MET 44 7.031 -1.632 5.604 296 HB3 MET 44 2HB MET 44 7.099 -3.314 3.877 297 HG3 MET 44 2HG MET 44 9.280 -4.664 5.455 298 HE1 MET 44 3HE MET 44 6.917 -7.775 4.929 299 HE2 MET 44 1HE MET 44 7.733 -6.709 6.094 300 HE3 MET 44 2HE MET 44 6.267 -6.158 5.250 301 H ILE 45 H ILE 45 6.736 -2.958 7.649 302 HA ILE 45 HA ILE 45 9.078 -2.316 9.346 303 HB ILE 45 HB ILE 45 6.270 -2.971 10.295 304 HG13 ILE 45 2HG1 ILE 45 7.444 -0.449 9.215 305 HG21 ILE 45 1HG2 ILE 45 8.744 -1.756 11.627 306 HG22 ILE 45 2HG2 ILE 45 7.165 -1.919 12.395 307 HG23 ILE 45 3HG2 ILE 45 8.114 -3.364 11.955 308 HD11 ILE 45 3HD1 ILE 45 4.534 -1.021 9.683 309 HD12 ILE 45 1HD1 ILE 45 5.314 0.107 8.551 310 HD13 ILE 45 2HD1 ILE 45 5.399 -1.610 8.245 311 H SER 46 H SER 46 10.167 -4.080 8.276 312 HA SER 46 HA SER 46 9.565 -6.809 9.092 313 HB3 SER 46 2HB SER 46 11.751 -7.267 8.147 314 HG SER 46 HG SER 46 11.223 -6.493 6.030 315 H ASP 47 H ASP 47 9.308 -6.591 11.343 316 HA ASP 47 HA ASP 47 11.799 -6.659 12.776 317 HB3 ASP 47 2HB ASP 47 9.934 -4.847 13.544 318 H ARG 48 H ARG 48 10.775 -8.092 14.706 319 HA ARG 48 HA ARG 48 10.705 -10.811 13.532 320 HB3 ARG 48 2HB ARG 48 10.179 -11.296 16.118 321 HG3 ARG 48 2HG ARG 48 12.741 -10.730 14.735 322 HD3 ARG 48 2HD ARG 48 13.236 -9.280 16.546 323 HE ARG 48 HE ARG 48 11.826 -9.628 18.310 324 HH11 ARG 48 1HH1 ARG 48 14.138 -12.387 18.124 325 HH12 ARG 48 2HH1 ARG 48 13.815 -12.829 19.784 326 HH21 ARG 48 1HH2 ARG 48 11.577 -10.290 20.528 327 HH22 ARG 48 2HH2 ARG 48 12.458 -11.681 21.065 328 H ASN 49 H ASN 49 8.462 -8.898 15.605 329 HA ASN 49 HA ASN 49 6.011 -9.768 14.490 330 HB3 ASN 49 2HB ASN 49 7.330 -11.680 16.389 331 HD21 ASN 49 1HD2 ASN 49 6.550 -11.543 18.454 332 HD22 ASN 49 2HD2 ASN 49 4.865 -11.606 18.848 333 H SER 50 H SER 50 7.744 -9.321 17.593 334 HA SER 50 HA SER 50 7.321 -8.248 19.482 335 HB3 SER 50 2HB SER 50 6.121 -6.286 17.581 336 HG SER 50 HG SER 50 6.953 -5.429 20.049 337 H ARG 51 H ARG 51 4.097 -7.364 18.222 338 HA ARG 51 HA ARG 51 2.939 -9.880 18.823 339 HB3 ARG 51 2HB ARG 51 1.890 -7.670 20.646 340 HG3 ARG 51 2HG ARG 51 1.334 -10.648 20.371 341 HD3 ARG 51 2HD ARG 51 1.625 -9.051 22.877 342 HE ARG 51 HE ARG 51 -0.911 -10.203 22.311 343 HH11 ARG 51 1HH1 ARG 51 1.545 -10.164 24.900 344 HH12 ARG 51 2HH1 ARG 51 0.367 -10.203 26.160 345 HH21 ARG 51 1HH2 ARG 51 -2.403 -10.459 24.063 346 HH22 ARG 51 2HH2 ARG 51 -1.831 -10.345 25.707 347 H ARG 52 H ARG 52 3.186 -7.843 16.672 348 HA ARG 52 HA ARG 52 0.664 -6.412 16.515 349 HB3 ARG 52 2HB ARG 52 2.276 -4.980 16.019 350 HG3 ARG 52 2HG ARG 52 3.578 -5.860 13.734 351 HD3 ARG 52 2HD ARG 52 5.537 -6.179 15.317 352 HE ARG 52 HE ARG 52 4.244 -3.697 16.242 353 HH11 ARG 52 1HH1 ARG 52 6.315 -5.091 13.765 354 HH12 ARG 52 2HH1 ARG 52 6.271 -3.693 12.731 355 HH21 ARG 52 1HH2 ARG 52 4.386 -1.854 15.153 356 HH22 ARG 52 2HH2 ARG 52 5.086 -1.665 13.600 357 H SER 53 H SER 53 -0.025 -6.141 14.018 358 HA SER 53 HA SER 53 -1.291 -8.387 13.084 359 HB3 SER 53 2HB SER 53 -2.097 -6.329 12.487 360 HG SER 53 HG SER 53 -1.118 -4.687 11.855 361 H LYS 54 H LYS 54 2.035 -7.783 13.011 362 HA LYS 54 HA LYS 54 3.840 -8.877 12.100 363 HB3 LYS 54 2HB LYS 54 3.579 -11.289 11.500 364 HG3 LYS 54 2HG LYS 54 2.720 -10.129 14.111 365 HD3 LYS 54 2HD LYS 54 0.999 -11.891 13.755 366 HE3 LYS 54 2HE LYS 54 3.487 -13.633 13.436 367 HZ1 LYS 54 3HZ LYS 54 0.668 -14.415 13.823 368 HZ2 LYS 54 1HZ LYS 54 1.924 -14.726 14.847 369 HZ3 LYS 54 2HZ LYS 54 1.874 -15.461 13.405 370 H GLY 55 H GLY 55 1.967 -7.277 10.202 371 HA2 GLY 55 1HA GLY 55 3.521 -7.876 7.805 372 HA3 GLY 55 2HA GLY 55 1.864 -8.478 7.706 373 H ILE 56 H ILE 56 3.905 -5.587 7.837 374 HA ILE 56 HA ILE 56 1.681 -3.914 6.840 375 HB ILE 56 HB ILE 56 2.743 -2.165 8.581 376 HG13 ILE 56 2HG1 ILE 56 4.348 -3.512 9.644 377 HG21 ILE 56 1HG2 ILE 56 0.420 -2.696 8.302 378 HG22 ILE 56 2HG2 ILE 56 0.565 -4.184 9.270 379 HG23 ILE 56 3HG2 ILE 56 0.771 -2.569 9.995 380 HD11 ILE 56 3HD1 ILE 56 1.982 -3.458 11.600 381 HD12 ILE 56 1HD1 ILE 56 3.706 -3.544 11.986 382 HD13 ILE 56 2HD1 ILE 56 3.058 -2.067 11.239 383 H ALA 57 H ALA 57 2.317 -2.479 5.279 384 HA ALA 57 HA ALA 57 5.092 -1.503 5.226 385 HB1 ALA 57 1HB ALA 57 3.701 -2.762 2.791 386 HB2 ALA 57 2HB ALA 57 5.334 -2.088 2.827 387 HB3 ALA 57 3HB ALA 57 4.965 -3.574 3.724 388 H TYR 58 H TYR 58 5.353 0.396 3.804 389 HA TYR 58 HA TYR 58 2.858 1.665 2.869 390 HB3 TYR 58 2HB TYR 58 3.820 3.836 3.372 391 HD1 TYR 58 2HD TYR 58 4.730 1.370 6.117 392 HD2 TYR 58 1HD TYR 58 2.425 4.841 4.944 393 HE1 TYR 58 2HE TYR 58 3.650 1.373 8.301 394 HE2 TYR 58 1HE TYR 58 1.295 4.831 7.096 395 HH TYR 58 HH TYR 58 1.014 3.761 9.077 396 H VAL 59 H VAL 59 2.975 1.438 0.710 397 HA VAL 59 HA VAL 59 5.634 1.252 -0.580 398 HB VAL 59 HB VAL 59 2.878 0.538 -1.640 399 HG11 VAL 59 1HG1 VAL 59 4.460 0.957 -3.439 400 HG12 VAL 59 2HG1 VAL 59 5.666 -0.102 -2.683 401 HG13 VAL 59 3HG1 VAL 59 4.156 -0.776 -3.329 402 HG21 VAL 59 3HG2 VAL 59 3.353 -0.934 0.242 403 HG22 VAL 59 1HG2 VAL 59 3.580 -1.834 -1.250 404 HG23 VAL 59 2HG2 VAL 59 4.998 -1.236 -0.355 405 H GLU 60 H GLU 60 6.397 2.917 -1.815 406 HA GLU 60 HA GLU 60 4.844 5.415 -1.771 407 HB3 GLU 60 2HB GLU 60 7.751 4.850 -2.547 408 HG3 GLU 60 2HG GLU 60 6.702 7.475 -1.451 409 H PHE 61 H PHE 61 3.734 5.912 -3.531 410 HA PHE 61 HA PHE 61 4.173 4.604 -6.121 411 HB3 PHE 61 2HB PHE 61 2.106 6.579 -6.186 412 HD1 PHE 61 1HD PHE 61 2.035 5.318 -8.365 413 HD2 PHE 61 2HD PHE 61 1.269 3.412 -4.548 414 HE1 PHE 61 1HE PHE 61 1.060 3.385 -9.511 415 HE2 PHE 61 2HE PHE 61 0.251 1.481 -5.740 416 HZ PHE 61 HZ PHE 61 0.146 1.467 -8.217 417 H VAL 62 H VAL 62 4.206 5.817 -8.135 418 HA VAL 62 HA VAL 62 5.894 8.200 -8.078 419 HB VAL 62 HB VAL 62 4.811 6.314 -10.209 420 HG11 VAL 62 1HG1 VAL 62 6.148 7.548 -11.884 421 HG12 VAL 62 2HG1 VAL 62 4.743 8.449 -11.307 422 HG13 VAL 62 3HG1 VAL 62 6.377 8.855 -10.699 423 HG21 VAL 62 3HG2 VAL 62 6.684 5.502 -8.887 424 HG22 VAL 62 1HG2 VAL 62 7.275 5.925 -10.498 425 HG23 VAL 62 2HG2 VAL 62 7.570 7.026 -9.164 426 H ASP 63 H ASP 63 2.477 7.649 -8.102 427 HA ASP 63 HA ASP 63 2.015 10.490 -8.716 428 HB3 ASP 63 2HB ASP 63 -0.094 8.860 -9.903 429 H VAL 64 H VAL 64 -0.020 11.143 -7.881 430 HA VAL 64 HA VAL 64 -0.914 9.692 -5.530 431 HB VAL 64 HB VAL 64 -0.811 12.157 -5.784 432 HG11 VAL 64 1HG1 VAL 64 -3.268 11.912 -7.547 433 HG12 VAL 64 2HG1 VAL 64 -2.558 13.412 -6.927 434 HG13 VAL 64 3HG1 VAL 64 -1.660 12.423 -8.096 435 HG21 VAL 64 3HG2 VAL 64 -3.579 11.127 -5.106 436 HG22 VAL 64 1HG2 VAL 64 -2.166 11.130 -4.025 437 HG23 VAL 64 2HG2 VAL 64 -2.850 12.656 -4.576 438 H SER 65 H SER 65 -1.808 9.672 -8.960 439 HA SER 65 HA SER 65 -4.516 9.253 -8.720 440 HB3 SER 65 2HB SER 65 -4.419 8.554 -11.045 441 HG SER 65 HG SER 65 -3.870 10.728 -10.493 442 H SER 66 H SER 66 -1.998 6.608 -8.693 443 HA SER 66 HA SER 66 -4.096 4.639 -8.867 444 HB3 SER 66 2HB SER 66 -2.373 3.022 -8.716 445 HG SER 66 HG SER 66 -0.959 5.135 -9.851 446 H VAL 67 H VAL 67 -3.296 6.520 -6.114 447 HA VAL 67 HA VAL 67 -3.229 4.528 -4.094 448 HB VAL 67 HB VAL 67 -4.051 7.453 -4.064 449 HG11 VAL 67 1HG1 VAL 67 -3.588 5.555 -1.718 450 HG12 VAL 67 2HG1 VAL 67 -3.708 7.310 -1.575 451 HG13 VAL 67 3HG1 VAL 67 -5.105 6.388 -2.135 452 HG21 VAL 67 3HG2 VAL 67 -1.830 7.781 -3.044 453 HG22 VAL 67 1HG2 VAL 67 -1.488 6.045 -3.153 454 HG23 VAL 67 2HG2 VAL 67 -1.665 7.027 -4.626 455 HA PRO 68 HA PRO 68 -7.981 4.702 -3.831 456 HB3 PRO 68 2HB PRO 68 -8.971 6.680 -4.382 457 HG3 PRO 68 2HG PRO 68 -8.016 8.083 -6.068 458 HD3 PRO 68 2HD PRO 68 -6.295 7.576 -4.532 459 H LEU 69 H LEU 69 -6.138 4.053 -6.725 460 HA LEU 69 HA LEU 69 -7.977 2.178 -7.901 461 HB3 LEU 69 2HB LEU 69 -4.983 1.915 -8.216 462 HG LEU 69 HG LEU 69 -7.323 1.913 -10.156 463 HD11 LEU 69 1HD1 LEU 69 -5.631 1.362 -11.870 464 HD12 LEU 69 2HD1 LEU 69 -4.349 1.508 -10.649 465 HD13 LEU 69 3HD1 LEU 69 -5.305 2.924 -11.119 466 HD21 LEU 69 3HD2 LEU 69 -5.524 -0.369 -9.214 467 HD22 LEU 69 1HD2 LEU 69 -6.629 -0.468 -10.598 468 HD23 LEU 69 2HD2 LEU 69 -7.282 -0.240 -8.998 469 H ALA 70 H ALA 70 -5.224 1.903 -5.572 470 HA ALA 70 HA ALA 70 -5.331 -0.889 -5.150 471 HB1 ALA 70 1HB ALA 70 -4.263 -0.399 -2.978 472 HB2 ALA 70 2HB ALA 70 -3.520 0.548 -4.276 473 HB3 ALA 70 3HB ALA 70 -4.655 1.319 -3.149 474 H ILE 71 H ILE 71 -7.277 1.734 -3.727 475 HA ILE 71 HA ILE 71 -8.675 0.132 -1.819 476 HB ILE 71 HB ILE 71 -9.644 2.672 -3.217 477 HG13 ILE 71 2HG1 ILE 71 -7.426 3.029 -2.197 478 HG21 ILE 71 1HG2 ILE 71 -11.448 1.481 -2.058 479 HG22 ILE 71 2HG2 ILE 71 -10.438 1.340 -0.607 480 HG23 ILE 71 3HG2 ILE 71 -11.024 2.918 -1.158 481 HD11 ILE 71 3HD1 ILE 71 -9.350 4.201 -0.199 482 HD12 ILE 71 1HD1 ILE 71 -7.811 4.843 -0.769 483 HD13 ILE 71 2HD1 ILE 71 -9.206 4.833 -1.866 484 H GLY 72 H GLY 72 -9.114 0.604 -5.297 485 HA2 GLY 72 1HA GLY 72 -11.659 -0.688 -5.573 486 HA3 GLY 72 2HA GLY 72 -10.457 -0.385 -6.836 487 H LEU 73 H LEU 73 -8.807 -2.037 -4.482 488 HA LEU 73 HA LEU 73 -9.407 -4.718 -5.588 489 HB3 LEU 73 2HB LEU 73 -7.040 -5.055 -5.804 490 HG LEU 73 HG LEU 73 -7.824 -2.436 -7.141 491 HD11 LEU 73 1HD1 LEU 73 -5.366 -4.169 -7.584 492 HD12 LEU 73 2HD1 LEU 73 -5.382 -2.539 -6.926 493 HD13 LEU 73 3HD1 LEU 73 -5.857 -2.808 -8.589 494 HD21 LEU 73 3HD2 LEU 73 -7.450 -5.206 -8.316 495 HD22 LEU 73 1HD2 LEU 73 -8.112 -3.786 -9.110 496 HD23 LEU 73 2HD2 LEU 73 -9.013 -4.575 -7.821 497 H THR 74 H THR 74 -9.739 -3.191 -2.711 498 HA THR 74 HA THR 74 -8.112 -4.346 -0.826 499 HB THR 74 HB THR 74 -9.831 -2.586 -0.445 500 HG1 THR 74 1HG THR 74 -9.670 -4.596 1.532 501 HG21 THR 74 3HG2 THR 74 -11.817 -3.855 -1.266 502 HG22 THR 74 1HG2 THR 74 -12.008 -3.295 0.391 503 HG23 THR 74 2HG2 THR 74 -11.640 -4.982 0.088 504 H GLY 75 H GLY 75 -10.561 -6.020 -2.599 505 HA2 GLY 75 1HA GLY 75 -10.734 -8.245 -0.664 506 HA3 GLY 75 2HA GLY 75 -11.717 -8.010 -2.104 507 H GLN 76 H GLN 76 -8.818 -7.456 -3.425 508 HA GLN 76 HA GLN 76 -8.493 -10.202 -4.415 509 HB3 GLN 76 2HB GLN 76 -6.585 -9.189 -5.649 510 HG3 GLN 76 2HG GLN 76 -9.081 -7.531 -6.063 511 HE21 GLN 76 1HE2 GLN 76 -9.578 -7.428 -8.360 512 HE22 GLN 76 2HE2 GLN 76 -8.305 -7.283 -9.545 513 H ARG 77 H ARG 77 -6.157 -11.000 -4.469 514 HA ARG 77 HA ARG 77 -4.507 -10.273 -2.234 515 HB3 ARG 77 2HB ARG 77 -5.885 -11.617 -0.890 516 HG3 ARG 77 2HG ARG 77 -6.005 -13.704 -3.105 517 HD3 ARG 77 2HD ARG 77 -7.217 -13.632 -0.305 518 HE ARG 77 HE ARG 77 -8.333 -14.895 -2.348 519 HH11 ARG 77 1HH1 ARG 77 -6.413 -16.143 0.325 520 HH12 ARG 77 2HH1 ARG 77 -6.615 -17.822 -0.069 521 HH21 ARG 77 1HH2 ARG 77 -8.830 -17.104 -2.775 522 HH22 ARG 77 2HH2 ARG 77 -8.175 -18.380 -1.789 523 H VAL 78 H VAL 78 -2.445 -10.560 -2.855 524 HA VAL 78 HA VAL 78 -1.850 -12.231 -5.221 525 HB VAL 78 HB VAL 78 -0.205 -10.314 -3.523 526 HG11 VAL 78 1HG1 VAL 78 1.321 -12.015 -4.562 527 HG12 VAL 78 2HG1 VAL 78 0.629 -11.619 -6.153 528 HG13 VAL 78 3HG1 VAL 78 1.521 -10.386 -5.232 529 HG21 VAL 78 3HG2 VAL 78 -1.551 -10.160 -6.251 530 HG22 VAL 78 1HG2 VAL 78 -1.806 -9.114 -4.830 531 HG23 VAL 78 2HG2 VAL 78 -0.290 -9.036 -5.752 532 H LEU 79 H LEU 79 -2.226 -14.306 -4.480 533 HA LEU 79 HA LEU 79 -1.671 -16.312 -3.581 534 HB3 LEU 79 2HB LEU 79 0.657 -16.737 -3.146 535 HG LEU 79 HG LEU 79 0.511 -14.478 -5.205 536 HD11 LEU 79 1HD1 LEU 79 2.640 -15.282 -6.000 537 HD12 LEU 79 2HD1 LEU 79 2.657 -16.556 -4.756 538 HD13 LEU 79 3HD1 LEU 79 2.780 -14.838 -4.300 539 HD21 LEU 79 3HD2 LEU 79 -0.913 -16.404 -5.812 540 HD22 LEU 79 1HD2 LEU 79 0.447 -17.507 -5.516 541 HD23 LEU 79 2HD2 LEU 79 0.520 -16.342 -6.846 542 H GLY 80 H GLY 80 -2.996 -14.391 -1.814 543 HA2 GLY 80 1HA GLY 80 -3.831 -14.909 0.380 544 HA3 GLY 80 2HA GLY 80 -2.281 -15.619 0.799 545 H VAL 81 H VAL 81 -1.786 -12.699 -0.871 546 HA VAL 81 HA VAL 81 -1.642 -11.056 1.593 547 HB VAL 81 HB VAL 81 -0.097 -10.845 -1.013 548 HG11 VAL 81 1HG1 VAL 81 1.274 -9.211 0.310 549 HG12 VAL 81 2HG1 VAL 81 -0.332 -8.638 -0.108 550 HG13 VAL 81 3HG1 VAL 81 -0.037 -9.225 1.525 551 HG21 VAL 81 3HG2 VAL 81 1.806 -11.553 0.439 552 HG22 VAL 81 1HG2 VAL 81 0.649 -11.789 1.770 553 HG23 VAL 81 2HG2 VAL 81 0.593 -12.810 0.319 554 HA PRO 82 HA PRO 82 -4.936 -8.866 -0.727 555 HB3 PRO 82 2HB PRO 82 -6.673 -9.950 0.418 556 HG3 PRO 82 2HG PRO 82 -6.307 -10.885 2.559 557 HD3 PRO 82 2HD PRO 82 -4.525 -11.822 1.366 558 H ILE 83 H ILE 83 -5.864 -6.658 0.032 559 HA ILE 83 HA ILE 83 -3.781 -5.169 1.520 560 HB ILE 83 HB ILE 83 -3.625 -4.922 -0.949 561 HG13 ILE 83 2HG1 ILE 83 -3.032 -3.134 0.876 562 HG21 ILE 83 1HG2 ILE 83 -6.059 -5.000 -1.538 563 HG22 ILE 83 2HG2 ILE 83 -6.257 -3.403 -0.776 564 HG23 ILE 83 3HG2 ILE 83 -5.253 -3.576 -2.206 565 HD11 ILE 83 3HD1 ILE 83 -1.915 -3.243 -1.270 566 HD12 ILE 83 1HD1 ILE 83 -3.264 -2.384 -2.058 567 HD13 ILE 83 2HD1 ILE 83 -2.274 -1.555 -0.835 568 H ILE 84 H ILE 84 -4.846 -2.854 2.071 569 HA ILE 84 HA ILE 84 -7.646 -3.259 2.975 570 HB ILE 84 HB ILE 84 -5.320 -2.031 4.506 571 HG13 ILE 84 2HG1 ILE 84 -5.767 -3.697 6.200 572 HG21 ILE 84 1HG2 ILE 84 -7.018 -1.696 6.375 573 HG22 ILE 84 2HG2 ILE 84 -7.071 -0.551 5.060 574 HG23 ILE 84 3HG2 ILE 84 -8.285 -1.849 5.145 575 HD11 ILE 84 3HD1 ILE 84 -8.221 -4.034 5.915 576 HD12 ILE 84 1HD1 ILE 84 -7.909 -4.901 4.401 577 HD13 ILE 84 2HD1 ILE 84 -7.298 -5.536 5.933 578 H VAL 85 H VAL 85 -8.958 -1.754 2.473 579 HA VAL 85 HA VAL 85 -8.893 0.307 0.752 580 HB VAL 85 HB VAL 85 -10.468 -0.332 3.243 581 HG11 VAL 85 1HG1 VAL 85 -11.219 1.944 1.346 582 HG12 VAL 85 2HG1 VAL 85 -12.294 1.205 2.547 583 HG13 VAL 85 3HG1 VAL 85 -10.844 2.062 3.076 584 HG21 VAL 85 3HG2 VAL 85 -10.799 -1.874 1.617 585 HG22 VAL 85 1HG2 VAL 85 -12.225 -0.872 1.538 586 HG23 VAL 85 2HG2 VAL 85 -10.949 -0.706 0.298 587 H GLN 86 H GLN 86 -7.362 0.580 3.843 588 HA GLN 86 HA GLN 86 -7.559 3.390 4.247 589 HB3 GLN 86 2HB GLN 86 -5.145 3.066 5.230 590 HG3 GLN 86 2HG GLN 86 -6.795 1.330 6.874 591 HE21 GLN 86 1HE2 GLN 86 -4.851 1.949 8.065 592 HE22 GLN 86 2HE2 GLN 86 -4.883 3.458 9.000 593 H ALA 87 H ALA 87 -5.030 1.569 2.512 594 HA ALA 87 HA ALA 87 -3.481 2.252 0.975 595 HB1 ALA 87 1HB ALA 87 -5.835 3.938 0.050 596 HB2 ALA 87 2HB ALA 87 -4.446 3.461 -0.939 597 HB3 ALA 87 3HB ALA 87 -5.561 2.223 -0.334 598 H SER 88 H SER 88 -2.970 3.401 3.306 599 HA SER 88 HA SER 88 -2.055 5.106 4.485 600 HB3 SER 88 2HB SER 88 -0.779 6.522 2.198 601 HG SER 88 HG SER 88 0.296 6.817 3.972 602 H GLN 89 H GLN 89 -1.608 7.846 3.574 603 HA GLN 89 HA GLN 89 -4.238 9.029 3.964 604 HB3 GLN 89 2HB GLN 89 -3.130 11.103 3.029 605 HG3 GLN 89 2HG GLN 89 -1.534 11.499 4.840 606 HE21 GLN 89 1HE2 GLN 89 -3.143 13.039 5.452 607 HE22 GLN 89 2HE2 GLN 89 -4.479 12.597 6.485 608 H ALA 90 H ALA 90 -5.735 9.395 2.532 609 HA ALA 90 HA ALA 90 -5.311 9.146 -0.346 610 HB1 ALA 90 1HB ALA 90 -7.096 7.464 -0.629 611 HB2 ALA 90 2HB ALA 90 -5.746 6.819 0.321 612 HB3 ALA 90 3HB ALA 90 -7.239 7.303 1.136 613 H GLU 91 H GLU 91 -5.899 11.266 1.530 614 HA GLU 91 HA GLU 91 -7.119 13.049 1.926 615 HB3 GLU 91 2HB GLU 91 -8.942 12.826 -0.368 616 HG3 GLU 91 2HG GLU 91 -6.910 14.436 -1.232 617 H LYS 92 H LYS 92 -8.099 10.650 3.172 618 HA LYS 92 HA LYS 92 -11.062 10.751 2.972 619 HB3 LYS 92 2HB LYS 92 -11.004 8.560 4.035 620 HG3 LYS 92 2HG LYS 92 -8.884 7.508 2.720 621 HD3 LYS 92 2HD LYS 92 -11.363 7.009 2.316 622 HE3 LYS 92 2HE LYS 92 -11.881 9.368 1.441 623 HZ1 LYS 92 3HZ LYS 92 -10.781 8.374 -1.092 624 HZ2 LYS 92 1HZ LYS 92 -9.904 9.386 -0.133 625 HZ3 LYS 92 2HZ LYS 92 -11.333 9.867 -0.775 626 H ASN 93 H ASN 93 -12.060 9.936 5.218 627 HA ASN 93 HA ASN 93 -11.056 11.493 7.506 628 HB3 ASN 93 2HB ASN 93 -12.739 12.880 6.371 629 HD21 ASN 93 1HD2 ASN 93 -15.457 12.981 7.162 630 HD22 ASN 93 2HD2 ASN 93 -16.407 11.778 6.350 631 H ARG 94 H ARG 94 -10.322 9.107 7.874 632 HA ARG 94 HA ARG 94 -12.543 7.391 8.906 633 HB3 ARG 94 2HB ARG 94 -10.739 5.544 8.175 634 HG3 ARG 94 2HG ARG 94 -13.048 5.434 7.471 635 HD3 ARG 94 2HD ARG 94 -13.289 6.186 4.912 636 HE ARG 94 HE ARG 94 -13.945 8.506 6.467 637 HH11 ARG 94 1HH1 ARG 94 -14.865 5.090 6.120 638 HH12 ARG 94 2HH1 ARG 94 -16.385 5.272 6.895 639 HH21 ARG 94 1HH2 ARG 94 -15.945 8.806 7.379 640 HH22 ARG 94 2HH2 ARG 94 -17.019 7.447 7.620 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -15.169 24.744 -4.508 2 HA2 GLY 1 1HA GLY 1 -12.701 24.718 -4.590 3 HA3 GLY 1 2HA GLY 1 -13.379 23.154 -4.075 4 H HIS 2 H HIS 2 -12.036 21.665 -4.960 5 HA HIS 2 HA HIS 2 -10.867 20.458 -6.486 6 HB3 HIS 2 2HB HIS 2 -13.513 20.812 -7.907 7 HD1 HIS 2 1HD HIS 2 -13.425 19.514 -10.134 8 HD2 HIS 2 2HD HIS 2 -10.971 17.890 -7.110 9 HE1 HIS 2 1HE HIS 2 -12.373 17.396 -11.100 10 H MET 3 H MET 3 -9.319 22.304 -6.859 11 HA MET 3 HA MET 3 -8.850 22.481 -9.683 12 HB3 MET 3 2HB MET 3 -8.778 25.066 -8.095 13 HG3 MET 3 2HG MET 3 -8.911 24.510 -11.079 14 HE1 MET 3 3HE MET 3 -8.525 27.317 -8.207 15 HE2 MET 3 1HE MET 3 -7.010 27.284 -9.137 16 HE3 MET 3 2HE MET 3 -8.091 28.692 -9.240 17 H ASN 4 H ASN 4 -6.501 23.183 -9.932 18 HA ASN 4 HA ASN 4 -4.319 22.938 -9.438 19 HB3 ASN 4 2HB ASN 4 -4.938 23.603 -6.539 20 HD21 ASN 4 1HD2 ASN 4 -3.157 25.399 -5.826 21 HD22 ASN 4 2HD2 ASN 4 -1.544 24.871 -6.213 22 H LEU 5 H LEU 5 -3.055 21.816 -7.146 23 HA LEU 5 HA LEU 5 -4.442 19.328 -6.436 24 HB3 LEU 5 2HB LEU 5 -1.479 19.522 -7.139 25 HG LEU 5 HG LEU 5 -3.061 17.578 -5.662 26 HD11 LEU 5 1HD1 LEU 5 -1.940 16.482 -8.280 27 HD12 LEU 5 2HD1 LEU 5 -3.652 16.597 -7.830 28 HD13 LEU 5 3HD1 LEU 5 -2.583 15.533 -6.915 29 HD21 LEU 5 3HD2 LEU 5 -0.907 16.539 -5.354 30 HD22 LEU 5 1HD2 LEU 5 -0.701 18.300 -5.278 31 HD23 LEU 5 2HD2 LEU 5 -0.247 17.438 -6.764 32 H THR 6 H THR 6 -4.022 18.845 -4.198 33 HA THR 6 HA THR 6 -3.547 21.215 -2.641 34 HB THR 6 HB THR 6 -3.787 19.245 -0.824 35 HG1 THR 6 1HG THR 6 -5.390 18.216 -2.859 36 HG21 THR 6 3HG2 THR 6 -5.377 20.941 -0.833 37 HG22 THR 6 1HG2 THR 6 -6.298 19.451 -1.052 38 HG23 THR 6 2HG2 THR 6 -5.992 20.525 -2.441 39 HA PRO 7 HA PRO 7 0.657 20.270 -1.076 40 HB3 PRO 7 2HB PRO 7 0.547 21.759 0.613 41 HG3 PRO 7 2HG PRO 7 -1.513 22.338 1.587 42 HD3 PRO 7 2HD PRO 7 -1.870 22.536 -0.742 43 H GLU 8 H GLU 8 -2.269 18.778 0.285 44 HA GLU 8 HA GLU 8 -0.959 16.660 1.487 45 HB3 GLU 8 2HB GLU 8 -2.614 17.257 2.784 46 HG3 GLU 8 2HG GLU 8 -4.282 17.277 0.303 47 H GLU 9 H GLU 9 -2.947 16.682 -1.529 48 HA GLU 9 HA GLU 9 -3.218 14.011 -2.022 49 HB3 GLU 9 2HB GLU 9 -2.711 14.940 -4.532 50 HG3 GLU 9 2HG GLU 9 -4.905 16.442 -4.147 51 H ARG 10 H ARG 10 -0.284 15.926 -2.686 52 HA ARG 10 HA ARG 10 1.059 13.639 -3.930 53 HB3 ARG 10 2HB ARG 10 3.148 15.228 -3.437 54 HG3 ARG 10 2HG ARG 10 1.004 15.600 -5.503 55 HD3 ARG 10 2HD ARG 10 1.961 17.859 -4.893 56 HE ARG 10 HE ARG 10 4.412 17.291 -6.337 57 HH11 ARG 10 1HH1 ARG 10 3.195 18.137 -3.129 58 HH12 ARG 10 2HH1 ARG 10 4.570 17.581 -2.246 59 HH21 ARG 10 1HH2 ARG 10 6.351 16.628 -5.212 60 HH22 ARG 10 2HH2 ARG 10 6.280 16.479 -3.482 61 H ASP 11 H ASP 11 0.545 14.550 -0.724 62 HA ASP 11 HA ASP 11 2.887 13.082 0.382 63 HB3 ASP 11 2HB ASP 11 0.946 13.966 2.362 64 H ALA 12 H ALA 12 -0.614 12.923 0.028 65 HA ALA 12 HA ALA 12 -1.062 10.445 1.452 66 HB1 ALA 12 1HB ALA 12 -2.784 12.116 -0.445 67 HB2 ALA 12 2HB ALA 12 -3.365 10.802 0.598 68 HB3 ALA 12 3HB ALA 12 -2.724 12.283 1.321 69 H ARG 13 H ARG 13 0.471 10.984 -1.330 70 HA ARG 13 HA ARG 13 -0.559 9.277 -3.313 71 HB3 ARG 13 2HB ARG 13 2.280 9.343 -3.525 72 HG3 ARG 13 2HG ARG 13 0.163 11.297 -4.514 73 HD3 ARG 13 2HD ARG 13 2.645 12.184 -4.453 74 HE ARG 13 HE ARG 13 2.926 11.131 -7.120 75 HH11 ARG 13 1HH1 ARG 13 4.018 10.616 -3.722 76 HH12 ARG 13 2HH1 ARG 13 5.300 9.564 -4.166 77 HH21 ARG 13 1HH2 ARG 13 4.599 9.734 -7.629 78 HH22 ARG 13 2HH2 ARG 13 5.240 8.712 -6.374 79 H THR 14 H THR 14 0.608 8.173 -0.342 80 HA THR 14 HA THR 14 1.834 5.721 -1.458 81 HB THR 14 HB THR 14 1.859 6.994 1.319 82 HG1 THR 14 1HG THR 14 4.095 7.277 0.753 83 HG21 THR 14 3HG2 THR 14 3.523 4.677 0.261 84 HG22 THR 14 1HG2 THR 14 2.175 4.535 1.419 85 HG23 THR 14 2HG2 THR 14 3.632 5.423 1.866 86 H VAL 15 H VAL 15 0.963 3.642 -0.824 87 HA VAL 15 HA VAL 15 -1.709 3.777 0.492 88 HB VAL 15 HB VAL 15 -2.323 1.765 -0.729 89 HG11 VAL 15 1HG1 VAL 15 -3.077 3.992 -1.343 90 HG12 VAL 15 2HG1 VAL 15 -1.658 4.238 -2.392 91 HG13 VAL 15 3HG1 VAL 15 -2.874 3.025 -2.800 92 HG21 VAL 15 3HG2 VAL 15 0.166 2.259 -2.428 93 HG22 VAL 15 1HG2 VAL 15 -0.307 0.773 -1.546 94 HG23 VAL 15 2HG2 VAL 15 -1.211 1.291 -2.955 95 H PHE 16 H PHE 16 -1.765 3.026 2.429 96 HA PHE 16 HA PHE 16 0.278 1.316 3.551 97 HB3 PHE 16 2HB PHE 16 -2.407 2.291 4.587 98 HD1 PHE 16 1HD PHE 16 0.609 0.239 5.467 99 HD2 PHE 16 2HD PHE 16 -3.156 1.846 6.800 100 HE1 PHE 16 1HE PHE 16 0.589 -1.328 7.302 101 HE2 PHE 16 2HE PHE 16 -3.169 0.248 8.702 102 HZ PHE 16 HZ PHE 16 -1.286 -1.375 8.965 103 H CYS 17 H CYS 17 0.351 -0.717 3.075 104 HA CYS 17 HA CYS 17 -2.089 -2.311 2.497 105 HB3 CYS 17 2HB CYS 17 -0.556 -3.929 1.529 106 HG CYS 17 HG CYS 17 -1.524 -2.174 -0.096 107 H MET 18 H MET 18 -2.699 -3.813 4.017 108 HA MET 18 HA MET 18 -1.002 -4.334 6.387 109 HB3 MET 18 2HB MET 18 -3.972 -3.629 6.418 110 HG3 MET 18 2HG MET 18 -1.938 -4.210 8.591 111 HE1 MET 18 3HE MET 18 -5.803 -3.907 9.032 112 HE2 MET 18 1HE MET 18 -6.006 -2.240 9.618 113 HE3 MET 18 2HE MET 18 -5.494 -2.530 7.947 114 H GLN 19 H GLN 19 -2.302 -6.292 7.606 115 HA GLN 19 HA GLN 19 -2.721 -8.433 7.622 116 HB3 GLN 19 2HB GLN 19 -4.286 -8.345 5.059 117 HG3 GLN 19 2HG GLN 19 -4.804 -9.293 7.928 118 HE21 GLN 19 1HE2 GLN 19 -6.155 -9.011 4.642 119 HE22 GLN 19 2HE2 GLN 19 -7.718 -9.706 5.013 120 H LEU 20 H LEU 20 -0.333 -7.486 6.068 121 HA LEU 20 HA LEU 20 0.062 -9.314 3.878 122 HB3 LEU 20 2HB LEU 20 2.321 -8.477 3.774 123 HG LEU 20 HG LEU 20 0.641 -6.112 4.698 124 HD11 LEU 20 1HD1 LEU 20 2.925 -6.291 2.693 125 HD12 LEU 20 2HD1 LEU 20 3.095 -5.749 4.374 126 HD13 LEU 20 3HD1 LEU 20 2.085 -4.828 3.247 127 HD21 LEU 20 3HD2 LEU 20 0.045 -5.853 2.290 128 HD22 LEU 20 1HD2 LEU 20 -0.666 -7.292 2.991 129 HD23 LEU 20 2HD2 LEU 20 0.759 -7.442 1.948 130 H ALA 21 H ALA 21 2.119 -10.769 3.841 131 HA ALA 21 HA ALA 21 1.677 -12.650 6.074 132 HB1 ALA 21 1HB ALA 21 0.856 -13.327 3.896 133 HB2 ALA 21 2HB ALA 21 2.501 -13.146 3.202 134 HB3 ALA 21 3HB ALA 21 2.154 -14.390 4.417 135 H ALA 22 H ALA 22 3.216 -14.218 6.478 136 HA ALA 22 HA ALA 22 5.983 -13.363 6.824 137 HB1 ALA 22 1HB ALA 22 6.081 -15.595 7.975 138 HB2 ALA 22 2HB ALA 22 4.801 -14.541 8.598 139 HB3 ALA 22 3HB ALA 22 4.400 -15.879 7.510 140 H ARG 23 H ARG 23 4.375 -14.473 4.138 141 HA ARG 23 HA ARG 23 6.903 -15.378 2.921 142 HB3 ARG 23 2HB ARG 23 5.563 -16.981 1.477 143 HG3 ARG 23 2HG ARG 23 5.382 -18.847 3.058 144 HD3 ARG 23 2HD ARG 23 7.964 -17.396 3.729 145 HE ARG 23 HE ARG 23 7.050 -20.166 3.586 146 HH11 ARG 23 1HH1 ARG 23 10.022 -18.217 3.260 147 HH12 ARG 23 2HH1 ARG 23 11.047 -19.522 3.777 148 HH21 ARG 23 1HH2 ARG 23 8.430 -21.886 4.121 149 HH22 ARG 23 2HH2 ARG 23 10.142 -21.630 4.183 150 H ILE 24 H ILE 24 6.717 -12.970 2.538 151 HA ILE 24 HA ILE 24 5.611 -12.738 -0.123 152 HB ILE 24 HB ILE 24 4.067 -11.782 1.653 153 HG13 ILE 24 2HG1 ILE 24 4.951 -9.785 -0.472 154 HG21 ILE 24 1HG2 ILE 24 5.796 -10.700 3.054 155 HG22 ILE 24 2HG2 ILE 24 6.057 -9.498 1.775 156 HG23 ILE 24 3HG2 ILE 24 4.486 -9.603 2.588 157 HD11 ILE 24 3HD1 ILE 24 2.944 -12.075 -0.676 158 HD12 ILE 24 1HD1 ILE 24 3.054 -10.720 -1.814 159 HD13 ILE 24 2HD1 ILE 24 4.406 -11.848 -1.668 160 H ARG 25 H ARG 25 6.669 -10.784 -1.209 161 HA ARG 25 HA ARG 25 9.449 -10.255 -0.277 162 HB3 ARG 25 2HB ARG 25 9.199 -9.732 -3.048 163 HG3 ARG 25 2HG ARG 25 10.403 -12.331 -2.040 164 HD3 ARG 25 2HD ARG 25 10.810 -10.378 -4.352 165 HE ARG 25 HE ARG 25 12.801 -12.007 -3.255 166 HH11 ARG 25 1HH1 ARG 25 11.169 -11.518 -6.369 167 HH12 ARG 25 2HH1 ARG 25 12.546 -11.860 -7.341 168 HH21 ARG 25 1HH2 ARG 25 14.770 -12.185 -4.550 169 HH22 ARG 25 2HH2 ARG 25 14.608 -12.385 -6.259 170 HA PRO 26 HA PRO 26 8.038 -5.991 -0.529 171 HB3 PRO 26 2HB PRO 26 10.067 -5.125 -0.057 172 HG3 PRO 26 2HG PRO 26 12.055 -6.280 -0.595 173 HD3 PRO 26 2HD PRO 26 10.641 -7.928 0.356 174 H ARG 27 H ARG 27 9.794 -6.815 -3.584 175 HA ARG 27 HA ARG 27 8.095 -5.268 -5.192 176 HB3 ARG 27 2HB ARG 27 9.768 -7.673 -5.964 177 HG3 ARG 27 2HG ARG 27 8.237 -5.742 -7.609 178 HD3 ARG 27 2HD ARG 27 10.517 -4.852 -7.901 179 HE ARG 27 HE ARG 27 11.060 -7.617 -8.917 180 HH11 ARG 27 1HH1 ARG 27 12.342 -4.283 -8.460 181 HH12 ARG 27 2HH1 ARG 27 13.974 -4.843 -8.620 182 HH21 ARG 27 1HH2 ARG 27 13.102 -8.170 -9.396 183 HH22 ARG 27 2HH2 ARG 27 14.372 -6.989 -9.564 184 H ASP 28 H ASP 28 7.365 -8.387 -3.758 185 HA ASP 28 HA ASP 28 5.453 -9.132 -5.837 186 HB3 ASP 28 2HB ASP 28 4.575 -10.693 -4.018 187 H LEU 29 H LEU 29 5.441 -6.845 -3.153 188 HA LEU 29 HA LEU 29 2.479 -6.664 -3.227 189 HB3 LEU 29 2HB LEU 29 2.783 -4.634 -1.839 190 HG LEU 29 HG LEU 29 2.852 -5.619 0.160 191 HD11 LEU 29 1HD1 LEU 29 2.926 -8.220 -1.436 192 HD12 LEU 29 2HD1 LEU 29 1.492 -7.209 -1.238 193 HD13 LEU 29 3HD1 LEU 29 2.225 -7.954 0.181 194 HD21 LEU 29 3HD2 LEU 29 5.279 -5.852 0.246 195 HD22 LEU 29 1HD2 LEU 29 5.170 -7.332 -0.714 196 HD23 LEU 29 2HD2 LEU 29 4.489 -7.301 0.917 197 H GLU 30 H GLU 30 5.356 -4.918 -4.418 198 HA GLU 30 HA GLU 30 3.800 -2.703 -5.355 199 HB3 GLU 30 2HB GLU 30 6.365 -3.049 -4.795 200 HG3 GLU 30 2HG GLU 30 6.522 -2.964 -7.811 201 H GLU 31 H GLU 31 4.945 -5.691 -6.892 202 HA GLU 31 HA GLU 31 4.270 -5.071 -9.523 203 HB3 GLU 31 2HB GLU 31 4.102 -7.708 -9.688 204 HG3 GLU 31 2HG GLU 31 6.653 -7.700 -9.341 205 H PHE 32 H PHE 32 2.274 -6.109 -6.924 206 HA PHE 32 HA PHE 32 0.014 -7.111 -8.393 207 HB3 PHE 32 2HB PHE 32 -0.030 -5.752 -5.686 208 HD1 PHE 32 1HD PHE 32 -1.169 -8.815 -7.616 209 HD2 PHE 32 2HD PHE 32 -2.208 -5.744 -4.750 210 HE1 PHE 32 1HE PHE 32 -3.443 -9.719 -7.459 211 HE2 PHE 32 2HE PHE 32 -4.376 -6.810 -4.420 212 HZ PHE 32 HZ PHE 32 -5.063 -8.767 -5.815 213 H PHE 33 H PHE 33 1.115 -3.905 -7.849 214 HA PHE 33 HA PHE 33 -1.451 -2.840 -9.014 215 HB3 PHE 33 2HB PHE 33 -1.080 -0.784 -8.015 216 HD1 PHE 33 1HD PHE 33 -2.646 -2.879 -6.818 217 HD2 PHE 33 2HD PHE 33 1.005 -1.064 -5.409 218 HE1 PHE 33 1HE PHE 33 -3.221 -3.499 -4.481 219 HE2 PHE 33 2HE PHE 33 0.430 -1.723 -3.087 220 HZ PHE 33 HZ PHE 33 -1.640 -2.941 -2.630 221 H SER 34 H SER 34 2.045 -3.022 -9.382 222 HA SER 34 HA SER 34 2.561 -1.477 -11.643 223 HB3 SER 34 2HB SER 34 3.509 -4.283 -11.144 224 HG SER 34 HG SER 34 5.381 -3.708 -11.799 225 H THR 35 H THR 35 0.531 -4.313 -11.330 226 HA THR 35 HA THR 35 0.326 -5.428 -13.861 227 HB THR 35 HB THR 35 -2.107 -5.708 -13.219 228 HG1 THR 35 1HG THR 35 -2.276 -3.727 -12.057 229 HG21 THR 35 3HG2 THR 35 -1.767 -7.175 -11.374 230 HG22 THR 35 1HG2 THR 35 -0.379 -6.268 -10.782 231 HG23 THR 35 2HG2 THR 35 -0.235 -7.204 -12.278 232 H VAL 36 H VAL 36 -0.901 -2.281 -12.695 233 HA VAL 36 HA VAL 36 -1.569 -1.351 -15.383 234 HB VAL 36 HB VAL 36 -3.916 -0.741 -14.488 235 HG11 VAL 36 1HG1 VAL 36 -3.481 -2.317 -16.331 236 HG12 VAL 36 2HG1 VAL 36 -3.458 -3.651 -15.158 237 HG13 VAL 36 3HG1 VAL 36 -4.925 -2.696 -15.402 238 HG21 VAL 36 3HG2 VAL 36 -3.384 -1.678 -12.096 239 HG22 VAL 36 1HG2 VAL 36 -4.953 -2.060 -12.818 240 HG23 VAL 36 2HG2 VAL 36 -3.710 -3.272 -12.845 241 H GLY 37 H GLY 37 0.535 -0.507 -13.854 242 HA2 GLY 37 1HA GLY 37 0.046 2.212 -13.193 243 HA3 GLY 37 2HA GLY 37 0.063 1.204 -11.734 244 H LYS 38 H LYS 38 2.030 3.045 -11.860 245 HA LYS 38 HA LYS 38 4.408 1.272 -11.963 246 HB3 LYS 38 2HB LYS 38 4.306 4.181 -12.847 247 HG3 LYS 38 2HG LYS 38 6.687 2.274 -12.881 248 HD3 LYS 38 2HD LYS 38 6.319 5.234 -13.460 249 HE3 LYS 38 2HE LYS 38 8.511 4.820 -12.362 250 HZ1 LYS 38 3HZ LYS 38 10.167 3.641 -13.761 251 HZ2 LYS 38 1HZ LYS 38 8.980 3.070 -14.706 252 HZ3 LYS 38 2HZ LYS 38 9.062 2.607 -13.139 253 H VAL 39 H VAL 39 5.478 1.352 -10.040 254 HA VAL 39 HA VAL 39 4.823 3.476 -8.127 255 HB VAL 39 HB VAL 39 3.644 1.618 -7.480 256 HG11 VAL 39 1HG1 VAL 39 4.556 -0.150 -8.837 257 HG12 VAL 39 2HG1 VAL 39 5.998 -0.213 -7.765 258 HG13 VAL 39 3HG1 VAL 39 4.358 -0.595 -7.155 259 HG21 VAL 39 3HG2 VAL 39 4.597 2.371 -5.453 260 HG22 VAL 39 1HG2 VAL 39 4.873 0.651 -5.415 261 HG23 VAL 39 2HG2 VAL 39 6.207 1.701 -5.838 262 H ARG 40 H ARG 40 6.371 4.192 -6.718 263 HA ARG 40 HA ARG 40 8.912 4.631 -8.088 264 HB3 ARG 40 2HB ARG 40 7.776 5.802 -5.548 265 HG3 ARG 40 2HG ARG 40 10.093 6.614 -7.351 266 HD3 ARG 40 2HD ARG 40 8.227 8.097 -5.584 267 HE ARG 40 HE ARG 40 10.894 9.209 -5.339 268 HH11 ARG 40 1HH1 ARG 40 8.332 7.534 -3.587 269 HH12 ARG 40 2HH1 ARG 40 9.292 7.020 -2.251 270 HH21 ARG 40 1HH2 ARG 40 12.165 8.839 -3.415 271 HH22 ARG 40 2HH2 ARG 40 11.496 7.910 -2.095 272 H ASP 41 H ASP 41 7.670 3.340 -4.926 273 HA ASP 41 HA ASP 41 9.504 1.217 -4.939 274 HB3 ASP 41 2HB ASP 41 10.329 2.808 -2.568 275 H VAL 42 H VAL 42 9.626 0.300 -2.437 276 HA VAL 42 HA VAL 42 7.031 0.761 -1.078 277 HB VAL 42 HB VAL 42 8.265 -1.954 -1.767 278 HG11 VAL 42 1HG1 VAL 42 5.862 -1.310 -0.002 279 HG12 VAL 42 2HG1 VAL 42 6.225 -2.924 -0.667 280 HG13 VAL 42 3HG1 VAL 42 7.348 -2.179 0.459 281 HG21 VAL 42 3HG2 VAL 42 7.074 -1.142 -3.652 282 HG22 VAL 42 1HG2 VAL 42 5.932 -2.225 -2.827 283 HG23 VAL 42 2HG2 VAL 42 5.786 -0.462 -2.650 284 H ARG 43 H ARG 43 7.090 0.445 1.134 285 HA ARG 43 HA ARG 43 9.745 0.149 2.421 286 HB3 ARG 43 2HB ARG 43 7.442 1.928 3.325 287 HG3 ARG 43 2HG ARG 43 9.287 1.232 5.002 288 HD3 ARG 43 2HD ARG 43 10.856 3.128 3.185 289 HE ARG 43 HE ARG 43 11.270 2.300 5.975 290 HH11 ARG 43 1HH1 ARG 43 12.819 3.866 3.134 291 HH12 ARG 43 2HH1 ARG 43 13.793 4.892 4.122 292 HH21 ARG 43 1HH2 ARG 43 12.575 3.660 7.197 293 HH22 ARG 43 2HH2 ARG 43 13.832 4.604 6.463 294 H MET 44 H MET 44 9.553 -1.963 3.213 295 HA MET 44 HA MET 44 6.906 -2.979 4.162 296 HB3 MET 44 2HB MET 44 8.279 -5.126 4.358 297 HG3 MET 44 2HG MET 44 8.505 -4.377 1.497 298 HE1 MET 44 3HE MET 44 5.285 -6.105 2.802 299 HE2 MET 44 1HE MET 44 5.847 -7.707 3.330 300 HE3 MET 44 2HE MET 44 6.336 -6.256 4.222 301 H ILE 45 H ILE 45 6.519 -3.461 6.368 302 HA ILE 45 HA ILE 45 8.830 -3.582 8.179 303 HB ILE 45 HB ILE 45 6.367 -2.057 9.032 304 HG13 ILE 45 2HG1 ILE 45 8.623 -0.814 7.410 305 HG21 ILE 45 1HG2 ILE 45 7.986 -1.246 10.670 306 HG22 ILE 45 2HG2 ILE 45 8.304 -2.991 10.471 307 HG23 ILE 45 3HG2 ILE 45 9.356 -1.826 9.681 308 HD11 ILE 45 3HD1 ILE 45 6.791 0.534 6.503 309 HD12 ILE 45 1HD1 ILE 45 6.420 -1.157 6.189 310 HD13 ILE 45 2HD1 ILE 45 5.600 -0.331 7.512 311 H SER 46 H SER 46 7.877 -5.903 7.531 312 HA SER 46 HA SER 46 6.241 -6.749 9.891 313 HB3 SER 46 2HB SER 46 7.187 -8.637 7.750 314 HG SER 46 HG SER 46 6.404 -9.553 9.574 315 H ASP 47 H ASP 47 9.203 -5.938 9.274 316 HA ASP 47 HA ASP 47 10.689 -8.239 10.307 317 HB3 ASP 47 2HB ASP 47 12.079 -5.658 9.662 318 H ARG 48 H ARG 48 8.944 -7.244 12.231 319 HA ARG 48 HA ARG 48 10.747 -5.935 14.207 320 HB3 ARG 48 2HB ARG 48 8.926 -4.797 15.242 321 HG3 ARG 48 2HG ARG 48 8.108 -3.200 13.637 322 HD3 ARG 48 2HD ARG 48 9.999 -2.400 12.423 323 HE ARG 48 HE ARG 48 10.397 -2.287 14.856 324 HH11 ARG 48 1HH1 ARG 48 12.491 -4.516 12.959 325 HH12 ARG 48 2HH1 ARG 48 13.924 -4.006 13.732 326 HH21 ARG 48 1HH2 ARG 48 12.316 -1.903 16.155 327 HH22 ARG 48 2HH2 ARG 48 13.745 -2.724 15.781 328 H ASN 49 H ASN 49 10.256 -6.544 16.393 329 HA ASN 49 HA ASN 49 9.405 -9.375 16.669 330 HB3 ASN 49 2HB ASN 49 11.807 -9.191 16.687 331 HD21 ASN 49 1HD2 ASN 49 12.386 -6.792 16.248 332 HD22 ASN 49 2HD2 ASN 49 12.952 -5.857 17.609 333 H SER 50 H SER 50 7.382 -8.040 17.005 334 HA SER 50 HA SER 50 6.817 -7.908 19.786 335 HB3 SER 50 2HB SER 50 6.470 -5.226 18.398 336 HG SER 50 HG SER 50 7.037 -5.791 21.100 337 H ARG 51 H ARG 51 4.538 -6.893 20.005 338 HA ARG 51 HA ARG 51 2.750 -8.103 17.993 339 HB3 ARG 51 2HB ARG 51 1.607 -6.658 20.372 340 HG3 ARG 51 2HG ARG 51 1.234 -9.370 19.014 341 HD3 ARG 51 2HD ARG 51 0.815 -9.240 21.570 342 HE ARG 51 HE ARG 51 -1.299 -7.433 20.650 343 HH11 ARG 51 1HH1 ARG 51 -0.289 -9.700 23.208 344 HH12 ARG 51 2HH1 ARG 51 -1.714 -9.415 24.172 345 HH21 ARG 51 1HH2 ARG 51 -3.247 -7.198 21.955 346 HH22 ARG 51 2HH2 ARG 51 -3.265 -7.903 23.541 347 H ARG 52 H ARG 52 4.431 -5.687 17.699 348 HA ARG 52 HA ARG 52 3.193 -3.231 17.358 349 HB3 ARG 52 2HB ARG 52 4.949 -3.534 15.170 350 HG3 ARG 52 2HG ARG 52 5.541 -2.842 18.087 351 HD3 ARG 52 2HD ARG 52 7.225 -2.539 15.581 352 HE ARG 52 HE ARG 52 6.773 -0.348 16.976 353 HH11 ARG 52 1HH1 ARG 52 9.336 -2.427 18.138 354 HH12 ARG 52 2HH1 ARG 52 10.604 -1.284 17.952 355 HH21 ARG 52 1HH2 ARG 52 8.427 1.371 17.159 356 HH22 ARG 52 2HH2 ARG 52 9.944 0.935 17.806 357 H SER 53 H SER 53 3.530 -5.718 14.725 358 HA SER 53 HA SER 53 0.861 -5.242 13.820 359 HB3 SER 53 2HB SER 53 1.402 -3.194 12.952 360 HG SER 53 HG SER 53 3.305 -2.544 13.249 361 H LYS 54 H LYS 54 4.151 -6.216 12.837 362 HA LYS 54 HA LYS 54 4.949 -7.882 11.579 363 HB3 LYS 54 2HB LYS 54 4.416 -10.085 12.283 364 HG3 LYS 54 2HG LYS 54 3.972 -8.402 14.753 365 HD3 LYS 54 2HD LYS 54 5.721 -9.967 15.654 366 HE3 LYS 54 2HE LYS 54 3.325 -11.292 14.346 367 HZ1 LYS 54 3HZ LYS 54 4.966 -12.962 14.473 368 HZ2 LYS 54 1HZ LYS 54 3.939 -13.246 15.725 369 HZ3 LYS 54 2HZ LYS 54 5.400 -12.545 16.003 370 H GLY 55 H GLY 55 3.419 -6.457 9.850 371 HA2 GLY 55 1HA GLY 55 3.366 -7.952 7.610 372 HA3 GLY 55 2HA GLY 55 1.777 -8.355 8.286 373 H ILE 56 H ILE 56 3.870 -5.489 7.578 374 HA ILE 56 HA ILE 56 1.549 -3.994 6.584 375 HB ILE 56 HB ILE 56 2.514 -2.001 7.900 376 HG13 ILE 56 2HG1 ILE 56 4.568 -3.214 8.623 377 HG21 ILE 56 1HG2 ILE 56 0.311 -3.246 8.391 378 HG22 ILE 56 2HG2 ILE 56 1.179 -4.227 9.557 379 HG23 ILE 56 3HG2 ILE 56 1.015 -2.477 9.819 380 HD11 ILE 56 3HD1 ILE 56 4.712 -1.960 10.740 381 HD12 ILE 56 1HD1 ILE 56 4.012 -0.979 9.441 382 HD13 ILE 56 2HD1 ILE 56 2.965 -1.668 10.697 383 H ALA 57 H ALA 57 2.139 -2.475 4.984 384 HA ALA 57 HA ALA 57 4.922 -1.746 4.658 385 HB1 ALA 57 1HB ALA 57 4.756 -3.818 3.240 386 HB2 ALA 57 2HB ALA 57 3.416 -3.056 2.345 387 HB3 ALA 57 3HB ALA 57 5.039 -2.351 2.285 388 H TYR 58 H TYR 58 5.085 0.127 3.251 389 HA TYR 58 HA TYR 58 2.503 1.410 2.453 390 HB3 TYR 58 2HB TYR 58 3.399 3.540 3.038 391 HD1 TYR 58 1HD TYR 58 1.462 3.123 4.534 392 HD2 TYR 58 2HD TYR 58 5.462 1.966 5.560 393 HE1 TYR 58 1HE TYR 58 0.769 2.935 6.898 394 HE2 TYR 58 2HE TYR 58 4.799 1.750 7.942 395 HH TYR 58 HH TYR 58 1.405 2.165 9.042 396 H VAL 59 H VAL 59 2.417 1.749 0.347 397 HA VAL 59 HA VAL 59 4.802 1.159 -1.322 398 HB VAL 59 HB VAL 59 1.816 0.799 -1.629 399 HG11 VAL 59 1HG1 VAL 59 3.907 -0.103 -3.621 400 HG12 VAL 59 2HG1 VAL 59 2.169 -0.350 -3.711 401 HG13 VAL 59 3HG1 VAL 59 2.813 1.284 -3.848 402 HG21 VAL 59 3HG2 VAL 59 2.266 -1.615 -1.622 403 HG22 VAL 59 1HG2 VAL 59 3.986 -1.305 -1.361 404 HG23 VAL 59 2HG2 VAL 59 2.790 -0.866 -0.118 405 H GLU 60 H GLU 60 5.690 2.881 -2.313 406 HA GLU 60 HA GLU 60 4.183 5.408 -2.372 407 HB3 GLU 60 2HB GLU 60 6.376 6.424 -2.734 408 HG3 GLU 60 2HG GLU 60 6.708 4.407 -0.476 409 H PHE 61 H PHE 61 2.849 4.908 -4.257 410 HA PHE 61 HA PHE 61 3.677 4.003 -6.680 411 HB3 PHE 61 2HB PHE 61 1.682 5.988 -7.114 412 HD1 PHE 61 1HD PHE 61 0.861 2.797 -5.460 413 HD2 PHE 61 2HD PHE 61 1.432 4.837 -9.217 414 HE1 PHE 61 1HE PHE 61 -0.217 0.934 -6.647 415 HE2 PHE 61 2HE PHE 61 0.421 2.963 -10.406 416 HZ PHE 61 HZ PHE 61 -0.411 0.979 -9.164 417 H VAL 62 H VAL 62 3.530 5.440 -8.860 418 HA VAL 62 HA VAL 62 5.373 7.741 -8.584 419 HB VAL 62 HB VAL 62 4.470 6.153 -11.009 420 HG11 VAL 62 1HG1 VAL 62 6.171 8.683 -10.899 421 HG12 VAL 62 2HG1 VAL 62 6.035 7.586 -12.307 422 HG13 VAL 62 3HG1 VAL 62 4.631 8.479 -11.750 423 HG21 VAL 62 3HG2 VAL 62 7.131 6.595 -9.574 424 HG22 VAL 62 1HG2 VAL 62 6.191 5.097 -9.664 425 HG23 VAL 62 2HG2 VAL 62 6.947 5.753 -11.114 426 H ASP 63 H ASP 63 1.905 7.103 -9.182 427 HA ASP 63 HA ASP 63 1.502 10.049 -9.504 428 HB3 ASP 63 2HB ASP 63 -0.313 7.822 -10.536 429 H VAL 64 H VAL 64 -0.882 10.611 -8.815 430 HA VAL 64 HA VAL 64 -1.421 9.276 -6.215 431 HB VAL 64 HB VAL 64 -1.095 11.710 -6.319 432 HG11 VAL 64 1HG1 VAL 64 -3.683 11.829 -7.887 433 HG12 VAL 64 2HG1 VAL 64 -2.737 13.187 -7.251 434 HG13 VAL 64 3HG1 VAL 64 -2.061 12.188 -8.540 435 HG21 VAL 64 3HG2 VAL 64 -3.009 12.348 -4.942 436 HG22 VAL 64 1HG2 VAL 64 -3.904 10.915 -5.477 437 HG23 VAL 64 2HG2 VAL 64 -2.434 10.737 -4.498 438 H SER 65 H SER 65 -2.773 9.505 -9.547 439 HA SER 65 HA SER 65 -5.440 9.019 -8.741 440 HB3 SER 65 2HB SER 65 -4.156 8.338 -11.395 441 HG SER 65 HG SER 65 -6.147 8.519 -12.199 442 H SER 66 H SER 66 -2.740 6.705 -9.070 443 HA SER 66 HA SER 66 -4.497 4.415 -9.227 444 HB3 SER 66 2HB SER 66 -2.638 3.175 -9.546 445 HG SER 66 HG SER 66 -1.887 4.424 -11.015 446 H VAL 67 H VAL 67 -3.813 6.436 -6.541 447 HA VAL 67 HA VAL 67 -3.477 4.565 -4.463 448 HB VAL 67 HB VAL 67 -4.743 7.324 -4.567 449 HG11 VAL 67 1HG1 VAL 67 -4.672 7.449 -2.203 450 HG12 VAL 67 2HG1 VAL 67 -5.577 5.982 -2.576 451 HG13 VAL 67 3HG1 VAL 67 -3.898 5.875 -2.031 452 HG21 VAL 67 3HG2 VAL 67 -2.035 6.387 -3.497 453 HG22 VAL 67 1HG2 VAL 67 -2.287 7.224 -5.038 454 HG23 VAL 67 2HG2 VAL 67 -2.649 8.054 -3.525 455 HA PRO 68 HA PRO 68 -8.218 3.992 -4.245 456 HB3 PRO 68 2HB PRO 68 -9.430 5.836 -4.883 457 HG3 PRO 68 2HG PRO 68 -8.717 7.213 -6.714 458 HD3 PRO 68 2HD PRO 68 -6.970 7.068 -5.082 459 H LEU 69 H LEU 69 -6.202 3.415 -7.032 460 HA LEU 69 HA LEU 69 -7.698 1.160 -8.056 461 HB3 LEU 69 2HB LEU 69 -4.697 1.444 -8.233 462 HG LEU 69 HG LEU 69 -6.826 0.517 -10.197 463 HD11 LEU 69 1HD1 LEU 69 -4.924 1.776 -11.175 464 HD12 LEU 69 2HD1 LEU 69 -4.924 0.074 -11.654 465 HD13 LEU 69 3HD1 LEU 69 -3.787 0.651 -10.410 466 HD21 LEU 69 3HD2 LEU 69 -6.525 -1.296 -8.644 467 HD22 LEU 69 1HD2 LEU 69 -4.765 -1.028 -8.552 468 HD23 LEU 69 2HD2 LEU 69 -5.502 -1.674 -10.021 469 H ALA 70 H ALA 70 -4.790 1.526 -5.945 470 HA ALA 70 HA ALA 70 -4.566 -1.193 -5.238 471 HB1 ALA 70 1HB ALA 70 -2.786 0.439 -4.875 472 HB2 ALA 70 2HB ALA 70 -3.770 1.208 -3.595 473 HB3 ALA 70 3HB ALA 70 -3.180 -0.448 -3.383 474 H ILE 71 H ILE 71 -6.599 1.301 -3.775 475 HA ILE 71 HA ILE 71 -7.487 -0.185 -1.471 476 HB ILE 71 HB ILE 71 -8.520 2.166 -3.071 477 HG13 ILE 71 2HG1 ILE 71 -6.368 2.255 -1.618 478 HG21 ILE 71 1HG2 ILE 71 -10.122 2.697 -1.303 479 HG22 ILE 71 2HG2 ILE 71 -10.502 1.149 -2.025 480 HG23 ILE 71 3HG2 ILE 71 -9.693 1.203 -0.450 481 HD11 ILE 71 3HD1 ILE 71 -6.760 4.448 -0.809 482 HD12 ILE 71 1HD1 ILE 71 -7.744 4.309 -2.264 483 HD13 ILE 71 2HD1 ILE 71 -8.506 4.180 -0.659 484 H GLY 72 H GLY 72 -8.294 -0.374 -4.888 485 HA2 GLY 72 1HA GLY 72 -10.940 -1.420 -4.650 486 HA3 GLY 72 2HA GLY 72 -9.916 -1.358 -6.082 487 H LEU 73 H LEU 73 -7.796 -2.973 -4.274 488 HA LEU 73 HA LEU 73 -8.551 -5.523 -5.353 489 HB3 LEU 73 2HB LEU 73 -6.351 -6.102 -4.278 490 HG LEU 73 HG LEU 73 -4.893 -4.742 -5.528 491 HD11 LEU 73 1HD1 LEU 73 -7.294 -5.558 -7.246 492 HD12 LEU 73 2HD1 LEU 73 -6.009 -6.654 -6.664 493 HD13 LEU 73 3HD1 LEU 73 -5.631 -5.367 -7.813 494 HD21 LEU 73 3HD2 LEU 73 -5.277 -3.037 -6.934 495 HD22 LEU 73 1HD2 LEU 73 -6.067 -2.630 -5.409 496 HD23 LEU 73 2HD2 LEU 73 -7.056 -3.148 -6.792 497 H THR 74 H THR 74 -9.298 -4.132 -2.398 498 HA THR 74 HA THR 74 -8.336 -5.594 -0.470 499 HB THR 74 HB THR 74 -9.619 -3.601 -0.052 500 HG1 THR 74 1HG THR 74 -9.344 -5.426 1.544 501 HG21 THR 74 3HG2 THR 74 -12.096 -5.322 -0.551 502 HG22 THR 74 1HG2 THR 74 -11.576 -3.908 -1.489 503 HG23 THR 74 2HG2 THR 74 -12.093 -3.717 0.193 504 H GLY 75 H GLY 75 -10.610 -7.168 -2.552 505 HA2 GLY 75 1HA GLY 75 -11.383 -9.180 -0.510 506 HA3 GLY 75 2HA GLY 75 -12.046 -8.966 -2.135 507 H GLN 76 H GLN 76 -8.942 -8.701 -2.926 508 HA GLN 76 HA GLN 76 -8.742 -11.462 -3.788 509 HB3 GLN 76 2HB GLN 76 -6.780 -10.726 -4.958 510 HG3 GLN 76 2HG GLN 76 -8.448 -8.308 -5.455 511 HE21 GLN 76 1HE2 GLN 76 -7.486 -7.633 -7.391 512 HE22 GLN 76 2HE2 GLN 76 -7.016 -8.698 -8.672 513 H ARG 77 H ARG 77 -6.717 -12.647 -3.502 514 HA ARG 77 HA ARG 77 -5.252 -12.227 -0.947 515 HB3 ARG 77 2HB ARG 77 -6.923 -13.684 -0.191 516 HG3 ARG 77 2HG ARG 77 -6.666 -15.101 -2.863 517 HD3 ARG 77 2HD ARG 77 -7.755 -16.265 -0.279 518 HE ARG 77 HE ARG 77 -8.700 -16.669 -2.874 519 HH11 ARG 77 1HH1 ARG 77 -7.241 -18.767 -0.405 520 HH12 ARG 77 2HH1 ARG 77 -8.172 -20.162 -0.836 521 HH21 ARG 77 1HH2 ARG 77 -10.013 -18.491 -3.381 522 HH22 ARG 77 2HH2 ARG 77 -9.731 -20.036 -2.685 523 H VAL 78 H VAL 78 -3.366 -11.676 -2.047 524 HA VAL 78 HA VAL 78 -2.545 -12.967 -4.470 525 HB VAL 78 HB VAL 78 -0.981 -11.184 -2.516 526 HG11 VAL 78 1HG1 VAL 78 0.452 -10.707 -4.525 527 HG12 VAL 78 2HG1 VAL 78 0.590 -12.371 -3.990 528 HG13 VAL 78 3HG1 VAL 78 -0.412 -11.977 -5.413 529 HG21 VAL 78 3HG2 VAL 78 -2.533 -10.577 -5.045 530 HG22 VAL 78 1HG2 VAL 78 -2.997 -10.068 -3.395 531 HG23 VAL 78 2HG2 VAL 78 -1.556 -9.403 -4.153 532 H LEU 79 H LEU 79 -2.147 -15.135 -4.374 533 HA LEU 79 HA LEU 79 -1.457 -17.175 -3.582 534 HB3 LEU 79 2HB LEU 79 0.916 -17.371 -3.020 535 HG LEU 79 HG LEU 79 0.511 -15.226 -5.161 536 HD11 LEU 79 1HD1 LEU 79 2.902 -17.017 -4.623 537 HD12 LEU 79 2HD1 LEU 79 2.812 -15.259 -4.353 538 HD13 LEU 79 3HD1 LEU 79 2.712 -15.907 -5.994 539 HD21 LEU 79 3HD2 LEU 79 0.732 -18.261 -5.387 540 HD22 LEU 79 1HD2 LEU 79 0.720 -17.125 -6.749 541 HD23 LEU 79 2HD2 LEU 79 -0.711 -17.280 -5.722 542 H GLY 80 H GLY 80 -3.081 -15.638 -1.839 543 HA2 GLY 80 1HA GLY 80 -4.041 -16.286 0.232 544 HA3 GLY 80 2HA GLY 80 -2.517 -17.007 0.736 545 H VAL 81 H VAL 81 -1.784 -13.935 -0.477 546 HA VAL 81 HA VAL 81 -1.729 -12.743 2.195 547 HB VAL 81 HB VAL 81 -0.165 -11.882 -0.252 548 HG11 VAL 81 1HG1 VAL 81 0.125 -11.396 2.736 549 HG12 VAL 81 2HG1 VAL 81 1.290 -10.879 1.483 550 HG13 VAL 81 3HG1 VAL 81 -0.340 -10.203 1.512 551 HG21 VAL 81 3HG2 VAL 81 0.575 -14.138 0.107 552 HG22 VAL 81 1HG2 VAL 81 1.731 -13.142 0.961 553 HG23 VAL 81 2HG2 VAL 81 0.445 -14.001 1.850 554 HA PRO 82 HA PRO 82 -5.228 -10.484 0.190 555 HB3 PRO 82 2HB PRO 82 -6.627 -11.636 1.710 556 HG3 PRO 82 2HG PRO 82 -5.895 -11.954 4.023 557 HD3 PRO 82 2HD PRO 82 -4.480 -13.074 2.506 558 H ILE 83 H ILE 83 -6.285 -8.196 0.808 559 HA ILE 83 HA ILE 83 -4.275 -6.480 2.102 560 HB ILE 83 HB ILE 83 -3.571 -6.551 -0.160 561 HG13 ILE 83 2HG1 ILE 83 -3.455 -4.411 1.014 562 HG21 ILE 83 1HG2 ILE 83 -5.712 -7.312 -1.267 563 HG22 ILE 83 2HG2 ILE 83 -6.292 -5.639 -1.154 564 HG23 ILE 83 3HG2 ILE 83 -4.862 -6.039 -2.118 565 HD11 ILE 83 3HD1 ILE 83 -2.623 -4.538 -1.363 566 HD12 ILE 83 1HD1 ILE 83 -4.173 -3.838 -1.884 567 HD13 ILE 83 2HD1 ILE 83 -3.109 -2.914 -0.813 568 H ILE 84 H ILE 84 -5.089 -4.465 2.773 569 HA ILE 84 HA ILE 84 -8.017 -4.464 3.300 570 HB ILE 84 HB ILE 84 -5.696 -3.144 4.761 571 HG13 ILE 84 2HG1 ILE 84 -6.080 -4.837 6.564 572 HG21 ILE 84 1HG2 ILE 84 -8.550 -3.525 5.741 573 HG22 ILE 84 2HG2 ILE 84 -7.225 -2.824 6.634 574 HG23 ILE 84 3HG2 ILE 84 -7.862 -1.998 5.213 575 HD11 ILE 84 3HD1 ILE 84 -8.362 -5.697 5.688 576 HD12 ILE 84 1HD1 ILE 84 -7.422 -6.599 4.491 577 HD13 ILE 84 2HD1 ILE 84 -7.184 -6.882 6.228 578 H VAL 85 H VAL 85 -9.146 -2.429 3.110 579 HA VAL 85 HA VAL 85 -8.272 -0.645 1.021 580 HB VAL 85 HB VAL 85 -10.357 0.449 1.413 581 HG11 VAL 85 1HG1 VAL 85 -10.361 -1.655 0.265 582 HG12 VAL 85 2HG1 VAL 85 -10.813 -2.481 1.784 583 HG13 VAL 85 3HG1 VAL 85 -11.892 -1.281 1.046 584 HG21 VAL 85 3HG2 VAL 85 -10.481 0.699 3.828 585 HG22 VAL 85 1HG2 VAL 85 -11.905 -0.175 3.274 586 HG23 VAL 85 2HG2 VAL 85 -10.585 -1.053 4.054 587 H GLN 86 H GLN 86 -7.075 -0.634 4.106 588 HA GLN 86 HA GLN 86 -7.590 1.724 5.319 589 HB3 GLN 86 2HB GLN 86 -5.124 1.757 6.092 590 HG3 GLN 86 2HG GLN 86 -5.430 -0.180 7.553 591 HE21 GLN 86 1HE2 GLN 86 -5.807 2.750 7.954 592 HE22 GLN 86 2HE2 GLN 86 -7.249 2.742 8.996 593 H ALA 87 H ALA 87 -4.738 1.568 3.106 594 HA ALA 87 HA ALA 87 -3.611 3.126 2.056 595 HB1 ALA 87 1HB ALA 87 -4.684 5.087 1.162 596 HB2 ALA 87 2HB ALA 87 -5.822 3.713 1.112 597 HB3 ALA 87 3HB ALA 87 -6.005 4.954 2.344 598 H SER 88 H SER 88 -2.470 5.207 2.378 599 HA SER 88 HA SER 88 -2.077 5.868 5.257 600 HB3 SER 88 2HB SER 88 -0.174 7.264 4.047 601 HG SER 88 HG SER 88 1.216 5.642 4.514 602 H GLN 89 H GLN 89 -2.561 8.144 5.870 603 HA GLN 89 HA GLN 89 -3.791 9.913 5.880 604 HB3 GLN 89 2HB GLN 89 -2.916 11.554 4.388 605 HG3 GLN 89 2HG GLN 89 -1.265 9.978 6.135 606 HE21 GLN 89 1HE2 GLN 89 0.557 12.553 4.592 607 HE22 GLN 89 2HE2 GLN 89 1.595 11.519 3.625 608 H ALA 90 H ALA 90 -5.777 8.613 5.409 609 HA ALA 90 HA ALA 90 -7.180 9.795 3.136 610 HB1 ALA 90 1HB ALA 90 -7.956 7.601 2.311 611 HB2 ALA 90 2HB ALA 90 -6.177 7.627 2.322 612 HB3 ALA 90 3HB ALA 90 -7.055 6.770 3.600 613 H GLU 91 H GLU 91 -9.494 9.516 3.233 614 HA GLU 91 HA GLU 91 -10.495 9.506 5.964 615 HB3 GLU 91 2HB GLU 91 -12.163 9.961 3.482 616 HG3 GLU 91 2HG GLU 91 -12.083 11.289 6.236 617 H LYS 92 H LYS 92 -9.590 6.938 4.617 618 HA LYS 92 HA LYS 92 -12.123 5.439 4.141 619 HB3 LYS 92 2HB LYS 92 -10.530 3.616 3.420 620 HG3 LYS 92 2HG LYS 92 -9.266 5.459 1.716 621 HD3 LYS 92 2HD LYS 92 -10.428 3.380 1.053 622 HE3 LYS 92 2HE LYS 92 -12.596 3.759 2.308 623 HZ1 LYS 92 3HZ LYS 92 -13.126 6.036 1.574 624 HZ2 LYS 92 1HZ LYS 92 -14.284 4.975 1.117 625 HZ3 LYS 92 2HZ LYS 92 -13.215 5.541 0.009 626 H ASN 93 H ASN 93 -10.293 6.123 6.851 627 HA ASN 93 HA ASN 93 -10.055 3.360 7.926 628 HB3 ASN 93 2HB ASN 93 -9.089 6.109 8.811 629 HD21 ASN 93 1HD2 ASN 93 -8.863 6.375 10.967 630 HD22 ASN 93 2HD2 ASN 93 -8.458 5.100 12.089 631 H ARG 94 H ARG 94 -12.415 3.114 7.906 632 HA ARG 94 HA ARG 94 -13.881 4.601 10.027 633 HB3 ARG 94 2HB ARG 94 -15.278 3.670 7.499 634 HG3 ARG 94 2HG ARG 94 -16.363 5.945 7.770 635 HD3 ARG 94 2HD ARG 94 -16.668 4.132 10.190 636 HE ARG 94 HE ARG 94 -18.122 5.706 10.837 637 HH11 ARG 94 1HH1 ARG 94 -18.573 5.324 7.318 638 HH12 ARG 94 2HH1 ARG 94 -19.745 6.587 7.194 639 HH21 ARG 94 1HH2 ARG 94 -19.832 7.287 10.680 640 HH22 ARG 94 2HH2 ARG 94 -20.566 7.606 9.158 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -12.865 15.221 -2.512 2 HA2 GLY 1 1HA GLY 1 -11.891 15.299 -4.727 3 HA3 GLY 1 2HA GLY 1 -13.484 14.529 -4.792 4 H HIS 2 H HIS 2 -15.255 15.674 -5.776 5 HA HIS 2 HA HIS 2 -16.170 16.913 -7.390 6 HB3 HIS 2 2HB HIS 2 -14.637 19.119 -5.999 7 HD1 HIS 2 1HD HIS 2 -14.620 21.385 -7.138 8 HD2 HIS 2 2HD HIS 2 -17.725 18.837 -8.436 9 HE1 HIS 2 1HE HIS 2 -15.912 22.669 -8.928 10 H MET 3 H MET 3 -14.671 15.346 -8.424 11 HA MET 3 HA MET 3 -13.213 14.609 -9.900 12 HB3 MET 3 2HB MET 3 -15.166 15.294 -11.188 13 HG3 MET 3 2HG MET 3 -14.593 17.117 -12.958 14 HE1 MET 3 3HE MET 3 -17.198 17.116 -12.844 15 HE2 MET 3 1HE MET 3 -17.197 16.209 -11.315 16 HE3 MET 3 2HE MET 3 -18.136 17.705 -11.456 17 H ASN 4 H ASN 4 -11.873 16.910 -8.290 18 HA ASN 4 HA ASN 4 -9.587 17.253 -10.176 19 HB3 ASN 4 2HB ASN 4 -10.667 19.157 -8.069 20 HD21 ASN 4 1HD2 ASN 4 -9.749 21.348 -8.325 21 HD22 ASN 4 2HD2 ASN 4 -8.049 21.509 -8.764 22 H LEU 5 H LEU 5 -7.609 16.911 -9.329 23 HA LEU 5 HA LEU 5 -7.374 15.151 -7.037 24 HB3 LEU 5 2HB LEU 5 -4.923 16.366 -8.245 25 HG LEU 5 HG LEU 5 -4.211 14.117 -8.616 26 HD11 LEU 5 1HD1 LEU 5 -5.561 14.133 -5.888 27 HD12 LEU 5 2HD1 LEU 5 -4.029 14.947 -6.282 28 HD13 LEU 5 3HD1 LEU 5 -4.169 13.190 -6.406 29 HD21 LEU 5 3HD2 LEU 5 -5.538 12.124 -8.190 30 HD22 LEU 5 1HD2 LEU 5 -6.357 13.130 -9.397 31 HD23 LEU 5 2HD2 LEU 5 -6.944 13.097 -7.728 32 H THR 6 H THR 6 -6.713 15.702 -4.930 33 HA THR 6 HA THR 6 -6.548 18.460 -4.181 34 HB THR 6 HB THR 6 -5.474 16.985 -2.078 35 HG1 THR 6 1HG THR 6 -6.345 15.057 -2.003 36 HG21 THR 6 3HG2 THR 6 -8.370 17.460 -2.842 37 HG22 THR 6 1HG2 THR 6 -7.362 18.522 -1.855 38 HG23 THR 6 2HG2 THR 6 -7.832 16.939 -1.217 39 HA PRO 7 HA PRO 7 -2.062 19.009 -4.547 40 HB3 PRO 7 2HB PRO 7 -2.234 21.115 -3.642 41 HG3 PRO 7 2HG PRO 7 -3.811 21.628 -2.006 42 HD3 PRO 7 2HD PRO 7 -5.152 20.509 -3.544 43 H GLU 8 H GLU 8 -3.203 18.065 -1.269 44 HA GLU 8 HA GLU 8 -0.849 16.996 -0.358 45 HB3 GLU 8 2HB GLU 8 -3.649 16.098 0.426 46 HG3 GLU 8 2HG GLU 8 -1.105 16.526 2.065 47 H GLU 9 H GLU 9 -3.610 15.112 -1.773 48 HA GLU 9 HA GLU 9 -2.550 12.580 -1.641 49 HB3 GLU 9 2HB GLU 9 -3.854 12.829 -4.203 50 HG3 GLU 9 2HG GLU 9 -5.830 11.918 -2.984 51 H ARG 10 H ARG 10 -1.812 15.019 -4.153 52 HA ARG 10 HA ARG 10 -0.148 13.238 -5.734 53 HB3 ARG 10 2HB ARG 10 0.878 15.663 -6.339 54 HG3 ARG 10 2HG ARG 10 -1.905 14.787 -7.167 55 HD3 ARG 10 2HD ARG 10 0.174 16.614 -8.428 56 HE ARG 10 HE ARG 10 -1.903 15.143 -9.722 57 HH11 ARG 10 1HH1 ARG 10 -0.674 18.537 -9.573 58 HH12 ARG 10 2HH1 ARG 10 -0.991 18.757 -11.279 59 HH21 ARG 10 1HH2 ARG 10 -2.389 15.607 -11.837 60 HH22 ARG 10 2HH2 ARG 10 -1.989 17.187 -12.524 61 H ASP 11 H ASP 11 0.453 15.268 -2.901 62 HA ASP 11 HA ASP 11 3.363 15.025 -3.218 63 HB3 ASP 11 2HB ASP 11 2.365 16.052 -0.635 64 H ALA 12 H ALA 12 0.804 13.274 -1.807 65 HA ALA 12 HA ALA 12 2.427 11.893 0.201 66 HB1 ALA 12 1HB ALA 12 0.270 11.059 0.970 67 HB2 ALA 12 2HB ALA 12 0.172 12.801 0.729 68 HB3 ALA 12 3HB ALA 12 -0.542 11.702 -0.474 69 H ARG 13 H ARG 13 0.391 10.986 -2.617 70 HA ARG 13 HA ARG 13 0.404 9.315 -4.070 71 HB3 ARG 13 2HB ARG 13 3.191 8.800 -4.392 72 HG3 ARG 13 2HG ARG 13 1.393 10.955 -5.573 73 HD3 ARG 13 2HD ARG 13 4.073 9.837 -6.498 74 HE ARG 13 HE ARG 13 3.136 10.275 -8.521 75 HH11 ARG 13 1HH1 ARG 13 2.864 13.178 -6.515 76 HH12 ARG 13 2HH1 ARG 13 2.755 14.271 -7.838 77 HH21 ARG 13 1HH2 ARG 13 2.065 11.605 -10.162 78 HH22 ARG 13 2HH2 ARG 13 2.288 13.300 -10.034 79 H THR 14 H THR 14 0.553 8.190 -1.153 80 HA THR 14 HA THR 14 1.953 5.637 -1.760 81 HB THR 14 HB THR 14 1.471 7.130 0.838 82 HG1 THR 14 1HG THR 14 3.036 8.066 -0.530 83 HG21 THR 14 3HG2 THR 14 3.199 4.671 0.388 84 HG22 THR 14 1HG2 THR 14 1.659 4.709 1.295 85 HG23 THR 14 2HG2 THR 14 3.060 5.613 1.883 86 H VAL 15 H VAL 15 1.024 3.620 -1.009 87 HA VAL 15 HA VAL 15 -1.827 3.685 -0.184 88 HB VAL 15 HB VAL 15 -2.179 1.673 -1.625 89 HG11 VAL 15 1HG1 VAL 15 -2.601 2.934 -3.621 90 HG12 VAL 15 2HG1 VAL 15 -2.961 3.919 -2.198 91 HG13 VAL 15 3HG1 VAL 15 -1.459 4.203 -3.107 92 HG21 VAL 15 3HG2 VAL 15 0.458 2.436 -2.963 93 HG22 VAL 15 1HG2 VAL 15 0.063 0.911 -2.132 94 HG23 VAL 15 2HG2 VAL 15 -0.752 1.326 -3.627 95 H PHE 16 H PHE 16 -2.451 1.953 1.224 96 HA PHE 16 HA PHE 16 -0.226 0.952 2.900 97 HB3 PHE 16 2HB PHE 16 -2.932 2.151 3.585 98 HD1 PHE 16 2HD PHE 16 0.008 0.337 5.098 99 HD2 PHE 16 1HD PHE 16 -3.945 1.918 5.748 100 HE1 PHE 16 2HE PHE 16 -0.092 -0.792 7.261 101 HE2 PHE 16 1HE PHE 16 -4.028 0.824 7.930 102 HZ PHE 16 HZ PHE 16 -2.099 -0.532 8.732 103 H CYS 17 H CYS 17 -0.181 -1.210 2.878 104 HA CYS 17 HA CYS 17 -2.621 -2.823 2.434 105 HB3 CYS 17 2HB CYS 17 0.119 -3.929 3.024 106 HG CYS 17 HG CYS 17 -0.844 -6.046 1.543 107 H MET 18 H MET 18 -3.791 -3.535 4.173 108 HA MET 18 HA MET 18 -2.396 -3.854 6.782 109 HB3 MET 18 2HB MET 18 -5.295 -2.963 6.488 110 HG3 MET 18 2HG MET 18 -4.104 -1.778 8.721 111 HE1 MET 18 3HE MET 18 -6.921 -1.852 7.862 112 HE2 MET 18 1HE MET 18 -7.803 -2.285 9.349 113 HE3 MET 18 2HE MET 18 -6.420 -1.178 9.427 114 H GLN 19 H GLN 19 -2.349 -5.997 5.205 115 HA GLN 19 HA GLN 19 -3.952 -7.896 6.708 116 HB3 GLN 19 2HB GLN 19 -4.386 -7.802 3.705 117 HG3 GLN 19 2HG GLN 19 -5.659 -9.281 6.022 118 HE21 GLN 19 1HE2 GLN 19 -6.409 -8.252 2.627 119 HE22 GLN 19 2HE2 GLN 19 -8.147 -8.368 2.822 120 H LEU 20 H LEU 20 -1.024 -7.173 5.596 121 HA LEU 20 HA LEU 20 -0.360 -9.316 3.864 122 HB3 LEU 20 2HB LEU 20 2.063 -8.645 4.479 123 HG LEU 20 HG LEU 20 0.269 -6.279 3.870 124 HD11 LEU 20 1HD1 LEU 20 2.460 -5.633 4.669 125 HD12 LEU 20 2HD1 LEU 20 2.331 -5.337 2.919 126 HD13 LEU 20 3HD1 LEU 20 3.252 -6.735 3.519 127 HD21 LEU 20 3HD2 LEU 20 0.897 -6.748 1.496 128 HD22 LEU 20 1HD2 LEU 20 -0.104 -7.996 2.195 129 HD23 LEU 20 2HD2 LEU 20 1.633 -8.285 2.019 130 H ALA 21 H ALA 21 1.569 -10.719 4.258 131 HA ALA 21 HA ALA 21 0.837 -12.457 6.524 132 HB1 ALA 21 1HB ALA 21 -0.054 -13.140 4.331 133 HB2 ALA 21 2HB ALA 21 1.622 -13.147 3.672 134 HB3 ALA 21 3HB ALA 21 1.125 -14.313 4.920 135 H ALA 22 H ALA 22 2.324 -14.242 6.760 136 HA ALA 22 HA ALA 22 4.487 -13.144 8.052 137 HB1 ALA 22 1HB ALA 22 3.144 -15.046 8.793 138 HB2 ALA 22 2HB ALA 22 3.902 -16.069 7.555 139 HB3 ALA 22 3HB ALA 22 4.879 -15.371 8.881 140 H ARG 23 H ARG 23 4.590 -14.278 4.777 141 HA ARG 23 HA ARG 23 7.559 -14.161 4.820 142 HB3 ARG 23 2HB ARG 23 7.723 -16.084 3.302 143 HG3 ARG 23 2HG ARG 23 6.350 -16.912 5.877 144 HD3 ARG 23 2HD ARG 23 8.801 -18.014 4.452 145 HE ARG 23 HE ARG 23 8.916 -18.501 6.771 146 HH11 ARG 23 1HH1 ARG 23 6.160 -20.163 5.189 147 HH12 ARG 23 2HH1 ARG 23 5.797 -21.156 6.542 148 HH21 ARG 23 1HH2 ARG 23 8.420 -19.776 8.543 149 HH22 ARG 23 2HH2 ARG 23 7.206 -21.027 8.489 150 H ILE 24 H ILE 24 5.559 -12.143 4.095 151 HA ILE 24 HA ILE 24 5.521 -11.997 1.270 152 HB ILE 24 HB ILE 24 4.007 -10.818 2.858 153 HG13 ILE 24 2HG1 ILE 24 5.333 -9.016 0.788 154 HG21 ILE 24 1HG2 ILE 24 5.731 -9.986 4.456 155 HG22 ILE 24 2HG2 ILE 24 6.272 -8.816 3.235 156 HG23 ILE 24 3HG2 ILE 24 4.631 -8.726 3.896 157 HD11 ILE 24 3HD1 ILE 24 4.381 -11.016 -0.314 158 HD12 ILE 24 1HD1 ILE 24 2.892 -10.860 0.651 159 HD13 ILE 24 2HD1 ILE 24 3.307 -9.630 -0.556 160 H ARG 25 H ARG 25 6.741 -10.086 0.124 161 HA ARG 25 HA ARG 25 9.577 -9.852 1.011 162 HB3 ARG 25 2HB ARG 25 10.033 -9.822 -1.567 163 HG3 ARG 25 2HG ARG 25 9.189 -12.395 -0.182 164 HD3 ARG 25 2HD ARG 25 10.902 -11.974 -2.677 165 HE ARG 25 HE ARG 25 10.110 -14.648 -1.925 166 HH11 ARG 25 1HH1 ARG 25 12.667 -12.201 -1.389 167 HH12 ARG 25 2HH1 ARG 25 13.868 -13.376 -1.016 168 HH21 ARG 25 1HH2 ARG 25 11.743 -16.185 -1.287 169 HH22 ARG 25 2HH2 ARG 25 13.383 -15.620 -1.107 170 HA PRO 26 HA PRO 26 8.877 -5.483 -0.059 171 HB3 PRO 26 2HB PRO 26 11.068 -4.907 0.373 172 HG3 PRO 26 2HG PRO 26 12.824 -6.475 0.049 173 HD3 PRO 26 2HD PRO 26 11.168 -7.585 1.346 174 H ARG 27 H ARG 27 10.550 -7.404 -2.605 175 HA ARG 27 HA ARG 27 9.542 -6.053 -4.774 176 HB3 ARG 27 2HB ARG 27 9.960 -9.044 -4.857 177 HG3 ARG 27 2HG ARG 27 9.363 -7.525 -6.929 178 HD3 ARG 27 2HD ARG 27 11.279 -5.860 -6.307 179 HE ARG 27 HE ARG 27 12.869 -7.899 -7.807 180 HH11 ARG 27 1HH1 ARG 27 13.006 -5.273 -5.373 181 HH12 ARG 27 2HH1 ARG 27 14.574 -5.748 -4.837 182 HH21 ARG 27 1HH2 ARG 27 14.969 -8.257 -7.287 183 HH22 ARG 27 2HH2 ARG 27 15.816 -7.291 -6.119 184 H ASP 28 H ASP 28 7.852 -8.676 -2.990 185 HA ASP 28 HA ASP 28 5.811 -9.120 -4.952 186 HB3 ASP 28 2HB ASP 28 4.423 -9.608 -2.712 187 H LEU 29 H LEU 29 6.245 -6.561 -2.543 188 HA LEU 29 HA LEU 29 3.436 -5.758 -2.626 189 HB3 LEU 29 2HB LEU 29 4.251 -3.947 -1.096 190 HG LEU 29 HG LEU 29 5.273 -6.724 -0.339 191 HD11 LEU 29 1HD1 LEU 29 4.589 -4.325 1.380 192 HD12 LEU 29 2HD1 LEU 29 6.215 -4.984 1.071 193 HD13 LEU 29 3HD1 LEU 29 5.042 -5.947 1.975 194 HD21 LEU 29 3HD2 LEU 29 2.546 -5.429 -0.058 195 HD22 LEU 29 1HD2 LEU 29 3.094 -6.784 0.935 196 HD23 LEU 29 2HD2 LEU 29 2.981 -6.990 -0.805 197 H GLU 30 H GLU 30 6.125 -5.172 -4.598 198 HA GLU 30 HA GLU 30 4.834 -2.726 -5.696 199 HB3 GLU 30 2HB GLU 30 6.858 -1.903 -5.303 200 HG3 GLU 30 2HG GLU 30 8.159 -4.585 -5.585 201 H GLU 31 H GLU 31 6.007 -6.000 -6.413 202 HA GLU 31 HA GLU 31 5.348 -6.006 -9.174 203 HB3 GLU 31 2HB GLU 31 5.181 -8.607 -8.575 204 HG3 GLU 31 2HG GLU 31 7.741 -8.625 -8.358 205 H PHE 32 H PHE 32 3.361 -6.673 -6.261 206 HA PHE 32 HA PHE 32 1.148 -7.768 -7.678 207 HB3 PHE 32 2HB PHE 32 0.973 -5.949 -5.257 208 HD1 PHE 32 2HD PHE 32 -0.155 -9.283 -6.651 209 HD2 PHE 32 1HD PHE 32 -1.330 -5.558 -4.797 210 HE1 PHE 32 2HE PHE 32 -2.462 -10.086 -6.534 211 HE2 PHE 32 1HE PHE 32 -3.658 -6.367 -4.689 212 HZ PHE 32 HZ PHE 32 -4.229 -8.643 -5.470 213 H PHE 33 H PHE 33 2.316 -4.511 -7.506 214 HA PHE 33 HA PHE 33 -0.136 -3.471 -8.856 215 HB3 PHE 33 2HB PHE 33 0.609 -1.307 -8.260 216 HD1 PHE 33 1HD PHE 33 -1.441 -3.025 -6.861 217 HD2 PHE 33 2HD PHE 33 2.140 -1.079 -5.420 218 HE1 PHE 33 1HE PHE 33 -2.366 -2.957 -4.573 219 HE2 PHE 33 2HE PHE 33 1.121 -0.914 -3.186 220 HZ PHE 33 HZ PHE 33 -1.137 -1.849 -2.756 221 H SER 34 H SER 34 3.147 -4.453 -9.659 222 HA SER 34 HA SER 34 3.716 -2.496 -11.643 223 HB3 SER 34 2HB SER 34 5.412 -4.014 -10.706 224 HG SER 34 HG SER 34 5.498 -6.117 -11.306 225 H THR 35 H THR 35 1.425 -5.040 -11.638 226 HA THR 35 HA THR 35 1.330 -5.641 -14.384 227 HB THR 35 HB THR 35 -0.698 -6.811 -13.808 228 HG1 THR 35 1HG THR 35 -1.587 -6.586 -11.696 229 HG21 THR 35 3HG2 THR 35 0.146 -8.221 -12.084 230 HG22 THR 35 1HG2 THR 35 0.873 -6.868 -11.210 231 HG23 THR 35 2HG2 THR 35 1.619 -7.469 -12.708 232 H VAL 36 H VAL 36 0.152 -2.904 -12.608 233 HA VAL 36 HA VAL 36 -1.289 -1.776 -14.947 234 HB VAL 36 HB VAL 36 -3.139 -1.265 -13.341 235 HG11 VAL 36 1HG1 VAL 36 -4.202 -3.421 -13.467 236 HG12 VAL 36 2HG1 VAL 36 -3.303 -3.093 -14.958 237 HG13 VAL 36 3HG1 VAL 36 -2.658 -4.222 -13.751 238 HG21 VAL 36 3HG2 VAL 36 -3.359 -2.522 -11.252 239 HG22 VAL 36 1HG2 VAL 36 -1.811 -3.351 -11.511 240 HG23 VAL 36 2HG2 VAL 36 -1.857 -1.599 -11.191 241 H GLY 37 H GLY 37 1.286 -1.160 -12.989 242 HA2 GLY 37 1HA GLY 37 1.095 1.683 -13.254 243 HA3 GLY 37 2HA GLY 37 0.711 1.149 -11.618 244 H LYS 38 H LYS 38 2.828 2.657 -11.531 245 HA LYS 38 HA LYS 38 5.236 0.907 -11.482 246 HB3 LYS 38 2HB LYS 38 5.110 3.851 -12.300 247 HG3 LYS 38 2HG LYS 38 7.397 1.882 -12.661 248 HD3 LYS 38 2HD LYS 38 8.726 3.926 -12.969 249 HE3 LYS 38 2HE LYS 38 7.201 2.862 -14.894 250 HZ1 LYS 38 3HZ LYS 38 5.404 4.578 -14.442 251 HZ2 LYS 38 1HZ LYS 38 5.897 4.411 -15.969 252 HZ3 LYS 38 2HZ LYS 38 6.401 5.710 -15.072 253 H VAL 39 H VAL 39 6.496 1.217 -9.624 254 HA VAL 39 HA VAL 39 5.632 3.219 -7.604 255 HB VAL 39 HB VAL 39 4.452 1.105 -7.244 256 HG11 VAL 39 1HG1 VAL 39 5.461 -0.914 -6.929 257 HG12 VAL 39 2HG1 VAL 39 6.400 -0.298 -8.291 258 HG13 VAL 39 3HG1 VAL 39 7.101 -0.204 -6.691 259 HG21 VAL 39 3HG2 VAL 39 4.979 2.183 -5.137 260 HG22 VAL 39 1HG2 VAL 39 5.371 0.452 -5.006 261 HG23 VAL 39 2HG2 VAL 39 6.666 1.601 -5.180 262 H ARG 40 H ARG 40 7.089 3.877 -6.205 263 HA ARG 40 HA ARG 40 9.790 3.864 -7.357 264 HB3 ARG 40 2HB ARG 40 8.382 5.521 -5.247 265 HG3 ARG 40 2HG ARG 40 11.148 5.776 -6.446 266 HD3 ARG 40 2HD ARG 40 9.662 7.823 -4.795 267 HE ARG 40 HE ARG 40 12.211 7.924 -5.254 268 HH11 ARG 40 1HH1 ARG 40 9.715 9.639 -7.112 269 HH12 ARG 40 2HH1 ARG 40 10.789 10.637 -8.002 270 HH21 ARG 40 1HH2 ARG 40 13.686 9.249 -6.350 271 HH22 ARG 40 2HH2 ARG 40 13.173 10.376 -7.570 272 H ASP 41 H ASP 41 8.240 2.985 -4.203 273 HA ASP 41 HA ASP 41 10.118 0.941 -3.733 274 HB3 ASP 41 2HB ASP 41 10.579 3.028 -1.610 275 H VAL 42 H VAL 42 9.852 0.098 -1.336 276 HA VAL 42 HA VAL 42 7.127 0.717 -0.332 277 HB VAL 42 HB VAL 42 8.625 -1.944 -0.404 278 HG11 VAL 42 1HG1 VAL 42 5.881 -1.141 0.625 279 HG12 VAL 42 2HG1 VAL 42 6.297 -2.816 0.203 280 HG13 VAL 42 3HG1 VAL 42 7.174 -1.974 1.475 281 HG21 VAL 42 3HG2 VAL 42 6.304 -0.990 -2.129 282 HG22 VAL 42 1HG2 VAL 42 7.945 -1.364 -2.684 283 HG23 VAL 42 2HG2 VAL 42 6.926 -2.650 -2.071 284 H ARG 43 H ARG 43 6.836 0.807 1.866 285 HA ARG 43 HA ARG 43 9.210 0.579 3.641 286 HB3 ARG 43 2HB ARG 43 6.848 2.278 4.438 287 HG3 ARG 43 2HG ARG 43 9.115 1.860 5.743 288 HD3 ARG 43 2HD ARG 43 9.843 4.108 3.831 289 HE ARG 43 HE ARG 43 11.347 2.816 6.037 290 HH11 ARG 43 1HH1 ARG 43 11.337 5.352 3.488 291 HH12 ARG 43 2HH1 ARG 43 12.868 5.996 4.026 292 HH21 ARG 43 1HH2 ARG 43 13.189 3.868 6.824 293 HH22 ARG 43 2HH2 ARG 43 13.860 5.229 6.012 294 H MET 44 H MET 44 8.933 -1.517 4.355 295 HA MET 44 HA MET 44 6.263 -2.349 5.399 296 HB3 MET 44 2HB MET 44 7.248 -4.537 5.708 297 HG3 MET 44 2HG MET 44 6.915 -3.411 3.095 298 HE1 MET 44 3HE MET 44 10.120 -2.944 3.596 299 HE2 MET 44 1HE MET 44 10.703 -3.332 1.966 300 HE3 MET 44 2HE MET 44 9.207 -2.403 2.170 301 H ILE 45 H ILE 45 6.102 -2.852 7.613 302 HA ILE 45 HA ILE 45 8.248 -1.676 9.332 303 HB ILE 45 HB ILE 45 5.293 -1.946 9.971 304 HG13 ILE 45 2HG1 ILE 45 6.820 0.281 8.624 305 HG21 ILE 45 1HG2 ILE 45 5.723 -0.538 11.829 306 HG22 ILE 45 2HG2 ILE 45 6.954 -1.795 11.900 307 HG23 ILE 45 3HG2 ILE 45 7.367 -0.175 11.284 308 HD11 ILE 45 3HD1 ILE 45 5.060 -0.929 7.306 309 HD12 ILE 45 1HD1 ILE 45 3.877 -0.529 8.574 310 HD13 ILE 45 2HD1 ILE 45 4.652 0.754 7.625 311 H SER 46 H SER 46 9.510 -3.521 9.688 312 HA SER 46 HA SER 46 8.409 -5.367 11.661 313 HB3 SER 46 2HB SER 46 9.320 -7.369 10.428 314 HG SER 46 HG SER 46 7.128 -5.802 9.722 315 H ASP 47 H ASP 47 9.767 -4.666 13.161 316 HA ASP 47 HA ASP 47 12.643 -5.006 12.969 317 HB3 ASP 47 2HB ASP 47 11.640 -2.189 13.431 318 H ARG 48 H ARG 48 10.053 -5.555 14.713 319 HA ARG 48 HA ARG 48 10.791 -4.054 17.187 320 HB3 ARG 48 2HB ARG 48 8.302 -4.327 17.627 321 HG3 ARG 48 2HG ARG 48 9.507 -2.191 16.814 322 HD3 ARG 48 2HD ARG 48 7.849 -2.700 14.304 323 HE ARG 48 HE ARG 48 8.593 -0.277 15.382 324 HH11 ARG 48 1HH1 ARG 48 9.639 -1.977 12.480 325 HH12 ARG 48 2HH1 ARG 48 10.147 -0.555 11.635 326 HH21 ARG 48 1HH2 ARG 48 9.126 1.702 14.171 327 HH22 ARG 48 2HH2 ARG 48 9.823 1.543 12.624 328 H ASN 49 H ASN 49 8.498 -6.686 16.632 329 HA ASN 49 HA ASN 49 10.189 -8.663 18.017 330 HB3 ASN 49 2HB ASN 49 7.761 -8.861 19.437 331 HD21 ASN 49 1HD2 ASN 49 10.991 -7.228 19.644 332 HD22 ASN 49 2HD2 ASN 49 11.301 -7.907 21.226 333 H SER 50 H SER 50 7.909 -7.966 15.657 334 HA SER 50 HA SER 50 6.537 -9.211 14.364 335 HB3 SER 50 2HB SER 50 8.782 -11.204 14.509 336 HG SER 50 HG SER 50 7.463 -11.199 12.653 337 H ARG 51 H ARG 51 5.544 -9.750 16.925 338 HA ARG 51 HA ARG 51 4.202 -12.317 16.447 339 HB3 ARG 51 2HB ARG 51 4.505 -12.942 18.912 340 HG3 ARG 51 2HG ARG 51 6.732 -13.874 18.823 341 HD3 ARG 51 2HD ARG 51 5.301 -14.126 16.136 342 HE ARG 51 HE ARG 51 7.649 -15.382 17.042 343 HH11 ARG 51 1HH1 ARG 51 4.496 -16.311 15.661 344 HH12 ARG 51 2HH1 ARG 51 4.970 -17.955 15.397 345 HH21 ARG 51 1HH2 ARG 51 8.325 -17.527 16.414 346 HH22 ARG 51 2HH2 ARG 51 7.238 -18.543 15.551 347 H ARG 52 H ARG 52 3.348 -9.560 16.149 348 HA ARG 52 HA ARG 52 1.424 -9.265 18.361 349 HB3 ARG 52 2HB ARG 52 1.883 -6.977 18.786 350 HG3 ARG 52 2HG ARG 52 3.882 -8.902 19.520 351 HD3 ARG 52 2HD ARG 52 5.152 -6.871 18.002 352 HE ARG 52 HE ARG 52 5.243 -5.188 19.617 353 HH11 ARG 52 1HH1 ARG 52 6.117 -8.300 21.182 354 HH12 ARG 52 2HH1 ARG 52 6.695 -7.566 22.601 355 HH21 ARG 52 1HH2 ARG 52 6.195 -4.228 21.489 356 HH22 ARG 52 2HH2 ARG 52 6.554 -5.229 22.864 357 H SER 53 H SER 53 2.339 -6.860 15.815 358 HA SER 53 HA SER 53 0.160 -7.714 14.067 359 HB3 SER 53 2HB SER 53 -0.781 -5.532 14.038 360 HG SER 53 HG SER 53 -2.018 -6.634 15.391 361 H LYS 54 H LYS 54 2.858 -8.015 13.615 362 HA LYS 54 HA LYS 54 3.995 -5.763 12.353 363 HB3 LYS 54 2HB LYS 54 5.440 -7.477 13.090 364 HG3 LYS 54 2HG LYS 54 3.606 -9.090 11.755 365 HD3 LYS 54 2HD LYS 54 5.128 -10.722 10.608 366 HE3 LYS 54 2HE LYS 54 3.719 -8.632 9.533 367 HZ1 LYS 54 3HZ LYS 54 6.198 -8.741 7.952 368 HZ2 LYS 54 1HZ LYS 54 5.988 -7.570 9.074 369 HZ3 LYS 54 2HZ LYS 54 4.958 -7.682 7.821 370 H GLY 55 H GLY 55 1.234 -7.139 11.205 371 HA2 GLY 55 1HA GLY 55 2.093 -7.556 8.414 372 HA3 GLY 55 2HA GLY 55 0.480 -7.815 9.069 373 H ILE 56 H ILE 56 2.802 -5.240 8.194 374 HA ILE 56 HA ILE 56 0.676 -3.544 7.077 375 HB ILE 56 HB ILE 56 1.722 -1.614 8.491 376 HG13 ILE 56 2HG1 ILE 56 3.455 -3.047 9.615 377 HG21 ILE 56 1HG2 ILE 56 -0.686 -2.606 8.550 378 HG22 ILE 56 2HG2 ILE 56 -0.162 -3.453 10.009 379 HG23 ILE 56 3HG2 ILE 56 -0.135 -1.687 9.957 380 HD11 ILE 56 3HD1 ILE 56 1.434 -1.972 11.639 381 HD12 ILE 56 1HD1 ILE 56 3.118 -2.338 11.948 382 HD13 ILE 56 2HD1 ILE 56 2.715 -1.006 10.846 383 H ALA 57 H ALA 57 1.403 -2.372 5.312 384 HA ALA 57 HA ALA 57 4.187 -1.533 5.181 385 HB1 ALA 57 1HB ALA 57 4.214 -3.786 4.021 386 HB2 ALA 57 2HB ALA 57 2.950 -3.166 2.917 387 HB3 ALA 57 3HB ALA 57 4.568 -2.428 2.931 388 H TYR 58 H TYR 58 4.431 0.258 3.681 389 HA TYR 58 HA TYR 58 1.941 1.319 2.422 390 HB3 TYR 58 2HB TYR 58 2.646 3.558 3.006 391 HD1 TYR 58 2HD TYR 58 3.678 1.439 5.864 392 HD2 TYR 58 1HD TYR 58 0.648 3.984 4.210 393 HE1 TYR 58 2HE TYR 58 2.379 1.223 7.959 394 HE2 TYR 58 1HE TYR 58 -0.672 3.807 6.297 395 HH TYR 58 HH TYR 58 0.535 1.884 9.103 396 H VAL 59 H VAL 59 2.359 2.063 0.347 397 HA VAL 59 HA VAL 59 5.023 1.408 -0.813 398 HB VAL 59 HB VAL 59 2.165 0.810 -1.687 399 HG11 VAL 59 1HG1 VAL 59 3.427 -0.616 -3.451 400 HG12 VAL 59 2HG1 VAL 59 3.372 1.136 -3.685 401 HG13 VAL 59 3HG1 VAL 59 4.828 0.372 -2.995 402 HG21 VAL 59 3HG2 VAL 59 4.349 -1.115 -0.849 403 HG22 VAL 59 1HG2 VAL 59 2.893 -0.727 0.109 404 HG23 VAL 59 2HG2 VAL 59 2.764 -1.539 -1.464 405 H GLU 60 H GLU 60 5.961 3.178 -1.740 406 HA GLU 60 HA GLU 60 4.283 5.515 -2.254 407 HB3 GLU 60 2HB GLU 60 7.287 5.224 -2.541 408 HG3 GLU 60 2HG GLU 60 5.630 7.668 -1.786 409 H PHE 61 H PHE 61 3.131 4.451 -4.043 410 HA PHE 61 HA PHE 61 4.063 3.804 -6.518 411 HB3 PHE 61 2HB PHE 61 1.819 5.647 -6.695 412 HD1 PHE 61 2HD PHE 61 1.498 2.148 -5.604 413 HD2 PHE 61 1HD PHE 61 1.670 4.788 -9.014 414 HE1 PHE 61 2HE PHE 61 0.633 0.392 -7.021 415 HE2 PHE 61 1HE PHE 61 0.901 2.976 -10.468 416 HZ PHE 61 HZ PHE 61 0.380 0.719 -9.496 417 H VAL 62 H VAL 62 4.349 4.843 -8.501 418 HA VAL 62 HA VAL 62 5.779 7.360 -8.246 419 HB VAL 62 HB VAL 62 5.266 5.530 -10.626 420 HG11 VAL 62 1HG1 VAL 62 6.785 8.158 -10.514 421 HG12 VAL 62 2HG1 VAL 62 7.031 6.941 -11.781 422 HG13 VAL 62 3HG1 VAL 62 5.460 7.709 -11.610 423 HG21 VAL 62 3HG2 VAL 62 7.734 6.224 -8.982 424 HG22 VAL 62 1HG2 VAL 62 6.842 4.703 -8.937 425 HG23 VAL 62 2HG2 VAL 62 7.725 5.157 -10.391 426 H ASP 63 H ASP 63 2.420 6.438 -9.045 427 HA ASP 63 HA ASP 63 1.959 9.289 -9.479 428 HB3 ASP 63 2HB ASP 63 0.332 7.378 -11.145 429 H VAL 64 H VAL 64 0.133 10.115 -8.769 430 HA VAL 64 HA VAL 64 -1.150 8.817 -6.565 431 HB VAL 64 HB VAL 64 -0.570 11.246 -6.830 432 HG11 VAL 64 1HG1 VAL 64 -2.129 12.735 -8.006 433 HG12 VAL 64 2HG1 VAL 64 -1.321 11.646 -9.142 434 HG13 VAL 64 3HG1 VAL 64 -3.009 11.372 -8.658 435 HG21 VAL 64 3HG2 VAL 64 -2.124 10.407 -5.102 436 HG22 VAL 64 1HG2 VAL 64 -2.460 12.049 -5.643 437 HG23 VAL 64 2HG2 VAL 64 -3.489 10.706 -6.190 438 H SER 65 H SER 65 -1.990 9.249 -10.059 439 HA SER 65 HA SER 65 -4.752 8.841 -9.696 440 HB3 SER 65 2HB SER 65 -4.885 8.659 -12.040 441 HG SER 65 HG SER 65 -2.411 9.952 -11.917 442 H SER 66 H SER 66 -2.137 6.527 -9.487 443 HA SER 66 HA SER 66 -3.945 4.245 -9.760 444 HB3 SER 66 2HB SER 66 -1.951 2.937 -9.365 445 HG SER 66 HG SER 66 -2.345 3.951 -11.412 446 H VAL 67 H VAL 67 -3.430 6.438 -7.109 447 HA VAL 67 HA VAL 67 -3.404 4.604 -4.930 448 HB VAL 67 HB VAL 67 -4.461 7.432 -5.191 449 HG11 VAL 67 1HG1 VAL 67 -5.703 6.404 -3.358 450 HG12 VAL 67 2HG1 VAL 67 -4.201 5.741 -2.666 451 HG13 VAL 67 3HG1 VAL 67 -4.475 7.489 -2.710 452 HG21 VAL 67 3HG2 VAL 67 -1.974 6.359 -3.772 453 HG22 VAL 67 1HG2 VAL 67 -1.974 7.120 -5.388 454 HG23 VAL 67 2HG2 VAL 67 -2.462 8.046 -3.969 455 HA PRO 68 HA PRO 68 -8.122 4.298 -5.191 456 HB3 PRO 68 2HB PRO 68 -9.207 6.156 -5.981 457 HG3 PRO 68 2HG PRO 68 -8.215 7.521 -7.681 458 HD3 PRO 68 2HD PRO 68 -6.620 7.276 -5.940 459 H LEU 69 H LEU 69 -5.874 3.471 -7.630 460 HA LEU 69 HA LEU 69 -7.452 1.423 -8.985 461 HB3 LEU 69 2HB LEU 69 -4.451 1.291 -8.605 462 HG LEU 69 HG LEU 69 -6.151 0.829 -11.081 463 HD11 LEU 69 1HD1 LEU 69 -3.741 1.654 -11.249 464 HD12 LEU 69 2HD1 LEU 69 -4.090 0.129 -12.059 465 HD13 LEU 69 3HD1 LEU 69 -3.244 0.149 -10.484 466 HD21 LEU 69 3HD2 LEU 69 -4.940 -1.190 -9.140 467 HD22 LEU 69 1HD2 LEU 69 -5.456 -1.592 -10.787 468 HD23 LEU 69 2HD2 LEU 69 -6.647 -1.019 -9.621 469 H ALA 70 H ALA 70 -5.047 1.499 -6.322 470 HA ALA 70 HA ALA 70 -5.082 -1.242 -5.778 471 HB1 ALA 70 1HB ALA 70 -3.285 0.194 -5.045 472 HB2 ALA 70 2HB ALA 70 -4.408 1.079 -3.946 473 HB3 ALA 70 3HB ALA 70 -3.977 -0.627 -3.651 474 H ILE 71 H ILE 71 -7.366 1.184 -4.818 475 HA ILE 71 HA ILE 71 -8.633 -0.157 -2.636 476 HB ILE 71 HB ILE 71 -9.574 1.928 -4.649 477 HG13 ILE 71 2HG1 ILE 71 -7.685 2.549 -3.155 478 HG21 ILE 71 1HG2 ILE 71 -11.565 0.749 -3.788 479 HG22 ILE 71 2HG2 ILE 71 -10.999 0.997 -2.126 480 HG23 ILE 71 3HG2 ILE 71 -11.467 2.373 -3.133 481 HD11 ILE 71 3HD1 ILE 71 -9.499 4.328 -3.525 482 HD12 ILE 71 1HD1 ILE 71 -10.143 3.856 -1.933 483 HD13 ILE 71 2HD1 ILE 71 -8.502 4.505 -2.072 484 H GLY 72 H GLY 72 -9.196 -0.252 -6.207 485 HA2 GLY 72 1HA GLY 72 -11.349 -2.136 -6.085 486 HA3 GLY 72 2HA GLY 72 -10.412 -1.659 -7.490 487 H LEU 73 H LEU 73 -8.096 -2.644 -5.281 488 HA LEU 73 HA LEU 73 -8.015 -5.392 -6.395 489 HB3 LEU 73 2HB LEU 73 -5.700 -5.473 -5.739 490 HG LEU 73 HG LEU 73 -6.176 -2.745 -6.995 491 HD11 LEU 73 1HD1 LEU 73 -3.931 -3.009 -6.006 492 HD12 LEU 73 2HD1 LEU 73 -3.854 -2.910 -7.759 493 HD13 LEU 73 3HD1 LEU 73 -3.674 -4.485 -6.959 494 HD21 LEU 73 3HD2 LEU 73 -5.324 -5.233 -8.471 495 HD22 LEU 73 1HD2 LEU 73 -5.873 -3.705 -9.134 496 HD23 LEU 73 2HD2 LEU 73 -7.040 -4.759 -8.333 497 H THR 74 H THR 74 -9.415 -3.954 -3.757 498 HA THR 74 HA THR 74 -8.480 -5.308 -1.514 499 HB THR 74 HB THR 74 -9.973 -3.372 -1.605 500 HG1 THR 74 1HG THR 74 -11.090 -5.347 0.032 501 HG21 THR 74 3HG2 THR 74 -12.416 -3.703 -1.642 502 HG22 THR 74 1HG2 THR 74 -12.207 -5.416 -2.026 503 HG23 THR 74 2HG2 THR 74 -11.701 -4.177 -3.197 504 H GLY 75 H GLY 75 -10.154 -6.695 -4.214 505 HA2 GLY 75 1HA GLY 75 -11.088 -9.082 -2.708 506 HA3 GLY 75 2HA GLY 75 -11.851 -8.403 -4.149 507 H GLN 76 H GLN 76 -8.233 -8.406 -4.142 508 HA GLN 76 HA GLN 76 -8.120 -10.958 -5.286 509 HB3 GLN 76 2HB GLN 76 -7.407 -10.072 -7.135 510 HG3 GLN 76 2HG GLN 76 -6.101 -7.594 -6.028 511 HE21 GLN 76 1HE2 GLN 76 -4.892 -7.726 -8.304 512 HE22 GLN 76 2HE2 GLN 76 -5.886 -7.406 -9.681 513 H ARG 77 H ARG 77 -5.600 -11.427 -5.079 514 HA ARG 77 HA ARG 77 -4.515 -10.975 -2.424 515 HB3 ARG 77 2HB ARG 77 -6.084 -12.585 -1.679 516 HG3 ARG 77 2HG ARG 77 -5.334 -14.244 -4.104 517 HD3 ARG 77 2HD ARG 77 -5.580 -15.476 -1.839 518 HE ARG 77 HE ARG 77 -7.664 -15.217 -0.902 519 HH11 ARG 77 1HH1 ARG 77 -8.121 -15.204 -4.436 520 HH12 ARG 77 2HH1 ARG 77 -9.833 -15.430 -4.348 521 HH21 ARG 77 1HH2 ARG 77 -9.897 -15.799 -0.813 522 HH22 ARG 77 2HH2 ARG 77 -10.876 -15.715 -2.244 523 H VAL 78 H VAL 78 -2.362 -10.923 -2.646 524 HA VAL 78 HA VAL 78 -1.137 -12.237 -4.966 525 HB VAL 78 HB VAL 78 -0.341 -10.078 -4.217 526 HG11 VAL 78 1HG1 VAL 78 -0.562 -10.315 -1.815 527 HG12 VAL 78 2HG1 VAL 78 0.842 -11.422 -1.805 528 HG13 VAL 78 3HG1 VAL 78 1.019 -9.718 -2.306 529 HG21 VAL 78 3HG2 VAL 78 2.054 -10.544 -4.427 530 HG22 VAL 78 1HG2 VAL 78 1.754 -12.263 -4.070 531 HG23 VAL 78 2HG2 VAL 78 1.106 -11.525 -5.548 532 H LEU 79 H LEU 79 -1.343 -14.285 -4.886 533 HA LEU 79 HA LEU 79 -1.200 -16.504 -4.429 534 HB3 LEU 79 2HB LEU 79 0.628 -17.368 -3.287 535 HG LEU 79 HG LEU 79 1.711 -14.585 -3.814 536 HD11 LEU 79 1HD1 LEU 79 3.821 -15.770 -4.126 537 HD12 LEU 79 2HD1 LEU 79 3.019 -17.337 -3.803 538 HD13 LEU 79 3HD1 LEU 79 3.159 -16.110 -2.533 539 HD21 LEU 79 3HD2 LEU 79 0.655 -15.232 -5.897 540 HD22 LEU 79 1HD2 LEU 79 1.345 -16.861 -5.794 541 HD23 LEU 79 2HD2 LEU 79 2.394 -15.442 -6.048 542 H GLY 80 H GLY 80 -2.444 -14.581 -2.024 543 HA2 GLY 80 1HA GLY 80 -4.101 -16.302 -0.589 544 HA3 GLY 80 2HA GLY 80 -2.446 -16.716 -0.120 545 H VAL 81 H VAL 81 -1.999 -13.586 -0.720 546 HA VAL 81 HA VAL 81 -2.637 -12.562 2.003 547 HB VAL 81 HB VAL 81 -0.504 -11.728 0.050 548 HG11 VAL 81 1HG1 VAL 81 -0.882 -11.392 3.042 549 HG12 VAL 81 2HG1 VAL 81 0.491 -10.771 2.071 550 HG13 VAL 81 3HG1 VAL 81 -1.146 -10.136 1.830 551 HG21 VAL 81 3HG2 VAL 81 -0.037 -14.070 0.542 552 HG22 VAL 81 1HG2 VAL 81 1.054 -13.051 1.472 553 HG23 VAL 81 2HG2 VAL 81 -0.365 -13.813 2.245 554 HA PRO 82 HA PRO 82 -5.375 -10.123 -0.878 555 HB3 PRO 82 2HB PRO 82 -7.277 -11.197 -0.206 556 HG3 PRO 82 2HG PRO 82 -7.391 -12.291 1.907 557 HD3 PRO 82 2HD PRO 82 -5.428 -13.114 0.893 558 H ILE 83 H ILE 83 -6.510 -7.899 -0.263 559 HA ILE 83 HA ILE 83 -4.821 -6.422 1.672 560 HB ILE 83 HB ILE 83 -3.751 -6.361 -0.462 561 HG13 ILE 83 2HG1 ILE 83 -3.962 -4.327 1.139 562 HG21 ILE 83 1HG2 ILE 83 -4.681 -5.347 -2.491 563 HG22 ILE 83 2HG2 ILE 83 -5.745 -6.670 -1.995 564 HG23 ILE 83 3HG2 ILE 83 -6.209 -4.997 -1.674 565 HD11 ILE 83 3HD1 ILE 83 -2.931 -3.777 -1.664 566 HD12 ILE 83 1HD1 ILE 83 -2.473 -2.965 -0.146 567 HD13 ILE 83 2HD1 ILE 83 -2.026 -4.647 -0.396 568 H ILE 84 H ILE 84 -5.754 -4.167 2.108 569 HA ILE 84 HA ILE 84 -8.727 -4.310 2.126 570 HB ILE 84 HB ILE 84 -6.879 -2.656 3.941 571 HG13 ILE 84 2HG1 ILE 84 -7.344 -4.188 5.750 572 HG21 ILE 84 1HG2 ILE 84 -9.860 -3.183 4.011 573 HG22 ILE 84 2HG2 ILE 84 -8.935 -2.526 5.382 574 HG23 ILE 84 3HG2 ILE 84 -9.028 -1.621 3.872 575 HD11 ILE 84 3HD1 ILE 84 -9.434 -5.295 4.925 576 HD12 ILE 84 1HD1 ILE 84 -8.482 -6.104 3.674 577 HD13 ILE 84 2HD1 ILE 84 -8.169 -6.439 5.390 578 H VAL 85 H VAL 85 -9.837 -2.350 1.556 579 HA VAL 85 HA VAL 85 -8.879 -0.701 -0.510 580 HB VAL 85 HB VAL 85 -10.896 0.583 -0.018 581 HG11 VAL 85 1HG1 VAL 85 -11.440 -2.371 0.264 582 HG12 VAL 85 2HG1 VAL 85 -12.500 -1.127 -0.414 583 HG13 VAL 85 3HG1 VAL 85 -11.000 -1.546 -1.246 584 HG21 VAL 85 3HG2 VAL 85 -12.399 0.023 1.842 585 HG22 VAL 85 1HG2 VAL 85 -11.244 -1.152 2.481 586 HG23 VAL 85 2HG2 VAL 85 -10.861 0.589 2.474 587 H GLN 86 H GLN 86 -7.649 -0.558 2.550 588 HA GLN 86 HA GLN 86 -8.051 2.002 3.459 589 HB3 GLN 86 2HB GLN 86 -5.435 1.426 4.294 590 HG3 GLN 86 2HG GLN 86 -6.711 0.129 6.181 591 HE21 GLN 86 1HE2 GLN 86 -8.425 3.281 5.189 592 HE22 GLN 86 2HE2 GLN 86 -7.488 4.150 6.363 593 H ALA 87 H ALA 87 -5.360 1.094 1.229 594 HA ALA 87 HA ALA 87 -4.032 2.354 -0.080 595 HB1 ALA 87 1HB ALA 87 -5.357 3.601 -1.704 596 HB2 ALA 87 2HB ALA 87 -6.152 2.092 -1.237 597 HB3 ALA 87 3HB ALA 87 -6.722 3.643 -0.568 598 H SER 88 H SER 88 -3.997 3.447 2.580 599 HA SER 88 HA SER 88 -3.364 5.167 3.821 600 HB3 SER 88 2HB SER 88 -1.793 6.579 1.743 601 HG SER 88 HG SER 88 -1.188 6.747 3.881 602 H GLN 89 H GLN 89 -2.896 7.925 3.404 603 HA GLN 89 HA GLN 89 -4.013 9.841 3.577 604 HB3 GLN 89 2HB GLN 89 -5.048 9.519 0.865 605 HG3 GLN 89 2HG GLN 89 -3.201 11.251 0.425 606 HE21 GLN 89 1HE2 GLN 89 -3.909 13.374 2.820 607 HE22 GLN 89 2HE2 GLN 89 -5.518 13.792 2.301 608 H ALA 90 H ALA 90 -5.492 8.364 4.940 609 HA ALA 90 HA ALA 90 -8.382 8.639 4.149 610 HB1 ALA 90 1HB ALA 90 -7.107 7.063 6.427 611 HB2 ALA 90 2HB ALA 90 -8.853 7.258 6.197 612 HB3 ALA 90 3HB ALA 90 -7.904 6.419 4.964 613 H GLU 91 H GLU 91 -9.818 9.591 5.588 614 HA GLU 91 HA GLU 91 -9.057 12.150 6.477 615 HB3 GLU 91 2HB GLU 91 -11.648 10.535 6.645 616 HG3 GLU 91 2HG GLU 91 -11.280 13.553 6.639 617 H LYS 92 H LYS 92 -8.330 9.680 8.173 618 HA LYS 92 HA LYS 92 -9.804 9.822 10.647 619 HB3 LYS 92 2HB LYS 92 -7.887 8.312 11.492 620 HG3 LYS 92 2HG LYS 92 -8.196 6.509 9.716 621 HD3 LYS 92 2HD LYS 92 -10.589 7.882 10.998 622 HE3 LYS 92 2HE LYS 92 -10.554 5.009 10.072 623 HZ1 LYS 92 3HZ LYS 92 -12.898 5.382 10.119 624 HZ2 LYS 92 1HZ LYS 92 -12.710 6.986 10.479 625 HZ3 LYS 92 2HZ LYS 92 -12.260 5.826 11.591 626 H ASN 93 H ASN 93 -7.312 11.848 9.506 627 HA ASN 93 HA ASN 93 -5.931 12.271 12.001 628 HB3 ASN 93 2HB ASN 93 -4.675 12.268 10.006 629 HD21 ASN 93 1HD2 ASN 93 -4.980 15.544 9.028 630 HD22 ASN 93 2HD2 ASN 93 -5.763 15.128 7.503 631 H ARG 94 H ARG 94 -8.126 12.822 12.996 632 HA ARG 94 HA ARG 94 -9.202 14.398 14.315 633 HB3 ARG 94 2HB ARG 94 -7.030 16.401 13.608 634 HG3 ARG 94 2HG ARG 94 -8.235 15.648 16.309 635 HD3 ARG 94 2HD ARG 94 -6.430 17.947 15.460 636 HE ARG 94 HE ARG 94 -7.711 17.331 17.954 637 HH11 ARG 94 1HH1 ARG 94 -4.546 18.397 16.657 638 HH12 ARG 94 2HH1 ARG 94 -4.159 19.304 18.105 639 HH21 ARG 94 1HH2 ARG 94 -7.114 18.627 19.833 640 HH22 ARG 94 2HH2 ARG 94 -5.575 19.453 19.808 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -15.937 22.224 -3.353 2 HA2 GLY 1 1HA GLY 1 -13.603 21.551 -3.603 3 HA3 GLY 1 2HA GLY 1 -14.604 20.223 -2.976 4 H HIS 2 H HIS 2 -12.391 19.327 -4.064 5 HA HIS 2 HA HIS 2 -11.423 18.017 -5.641 6 HB3 HIS 2 2HB HIS 2 -14.319 17.198 -5.770 7 HD1 HIS 2 1HD HIS 2 -14.667 16.158 -8.090 8 HD2 HIS 2 2HD HIS 2 -11.138 14.931 -6.137 9 HE1 HIS 2 1HE HIS 2 -13.620 14.341 -9.561 10 H MET 3 H MET 3 -10.644 19.708 -6.944 11 HA MET 3 HA MET 3 -11.894 19.876 -9.646 12 HB3 MET 3 2HB MET 3 -11.207 22.288 -9.730 13 HG3 MET 3 2HG MET 3 -13.325 21.517 -7.697 14 HE1 MET 3 3HE MET 3 -11.808 24.522 -9.916 15 HE2 MET 3 1HE MET 3 -13.450 24.231 -10.542 16 HE3 MET 3 2HE MET 3 -13.077 25.728 -9.651 17 H ASN 4 H ASN 4 -8.966 20.935 -7.767 18 HA ASN 4 HA ASN 4 -7.285 19.829 -9.957 19 HB3 ASN 4 2HB ASN 4 -5.735 21.814 -8.945 20 HD21 ASN 4 1HD2 ASN 4 -8.058 23.664 -10.580 21 HD22 ASN 4 2HD2 ASN 4 -7.439 23.389 -12.195 22 H LEU 5 H LEU 5 -5.302 18.960 -9.334 23 HA LEU 5 HA LEU 5 -5.314 17.454 -6.948 24 HB3 LEU 5 2HB LEU 5 -2.665 17.880 -8.208 25 HG LEU 5 HG LEU 5 -2.755 15.560 -8.818 26 HD11 LEU 5 1HD1 LEU 5 -2.886 14.549 -6.619 27 HD12 LEU 5 2HD1 LEU 5 -3.842 15.910 -6.011 28 HD13 LEU 5 3HD1 LEU 5 -2.155 16.164 -6.495 29 HD21 LEU 5 3HD2 LEU 5 -5.163 15.421 -9.467 30 HD22 LEU 5 1HD2 LEU 5 -5.610 15.403 -7.744 31 HD23 LEU 5 2HD2 LEU 5 -4.640 14.094 -8.419 32 H THR 6 H THR 6 -4.545 17.967 -4.836 33 HA THR 6 HA THR 6 -3.242 20.586 -4.411 34 HB THR 6 HB THR 6 -4.737 20.289 -2.709 35 HG1 THR 6 1HG THR 6 -3.601 20.229 -0.969 36 HG21 THR 6 3HG2 THR 6 -3.968 17.389 -2.359 37 HG22 THR 6 1HG2 THR 6 -5.501 17.983 -3.037 38 HG23 THR 6 2HG2 THR 6 -5.112 18.275 -1.349 39 HA PRO 7 HA PRO 7 0.884 18.715 -4.267 40 HB3 PRO 7 2HB PRO 7 1.890 20.719 -3.772 41 HG3 PRO 7 2HG PRO 7 0.733 22.375 -2.500 42 HD3 PRO 7 2HD PRO 7 -0.743 21.703 -4.240 43 H GLU 8 H GLU 8 -1.179 18.905 -1.323 44 HA GLU 8 HA GLU 8 0.439 17.152 0.276 45 HB3 GLU 8 2HB GLU 8 -1.585 17.081 1.708 46 HG3 GLU 8 2HG GLU 8 -1.061 19.846 0.523 47 H GLU 9 H GLU 9 -2.299 16.649 -1.915 48 HA GLU 9 HA GLU 9 -2.735 13.847 -1.549 49 HB3 GLU 9 2HB GLU 9 -3.116 14.148 -4.200 50 HG3 GLU 9 2HG GLU 9 -5.007 15.391 -2.170 51 H ARG 10 H ARG 10 -0.359 15.660 -3.536 52 HA ARG 10 HA ARG 10 0.644 13.258 -4.823 53 HB3 ARG 10 2HB ARG 10 2.584 14.971 -5.412 54 HG3 ARG 10 2HG ARG 10 -0.302 14.969 -6.327 55 HD3 ARG 10 2HD ARG 10 2.032 16.516 -7.482 56 HE ARG 10 HE ARG 10 0.085 15.273 -8.951 57 HH11 ARG 10 1HH1 ARG 10 0.266 18.791 -8.352 58 HH12 ARG 10 2HH1 ARG 10 0.095 19.119 -10.057 59 HH21 ARG 10 1HH2 ARG 10 -0.651 15.861 -10.968 60 HH22 ARG 10 2HH2 ARG 10 -0.626 17.535 -11.456 61 H ASP 11 H ASP 11 1.205 14.560 -1.721 62 HA ASP 11 HA ASP 11 3.631 12.849 -1.419 63 HB3 ASP 11 2HB ASP 11 2.159 14.029 0.938 64 H ALA 12 H ALA 12 0.223 13.003 -0.298 65 HA ALA 12 HA ALA 12 0.173 10.429 0.908 66 HB1 ALA 12 1HB ALA 12 -2.143 12.224 0.106 67 HB2 ALA 12 2HB ALA 12 -2.112 11.002 1.402 68 HB3 ALA 12 3HB ALA 12 -1.143 12.470 1.558 69 H ARG 13 H ARG 13 0.951 9.942 -1.759 70 HA ARG 13 HA ARG 13 -1.318 8.646 -3.242 71 HB3 ARG 13 2HB ARG 13 0.549 8.110 -4.842 72 HG3 ARG 13 2HG ARG 13 0.834 10.327 -5.713 73 HD3 ARG 13 2HD ARG 13 -1.643 9.184 -5.180 74 HE ARG 13 HE ARG 13 -2.073 12.109 -5.169 75 HH11 ARG 13 1HH1 ARG 13 -2.806 9.420 -2.949 76 HH12 ARG 13 2HH1 ARG 13 -4.515 9.600 -3.150 77 HH21 ARG 13 1HH2 ARG 13 -4.532 12.563 -4.924 78 HH22 ARG 13 2HH2 ARG 13 -5.343 11.357 -4.022 79 H THR 14 H THR 14 0.361 7.709 -0.541 80 HA THR 14 HA THR 14 1.379 5.202 -1.269 81 HB THR 14 HB THR 14 0.408 5.891 1.490 82 HG1 THR 14 1HG THR 14 2.625 7.200 0.339 83 HG21 THR 14 3HG2 THR 14 1.805 3.869 1.196 84 HG22 THR 14 1HG2 THR 14 2.470 5.062 2.319 85 HG23 THR 14 2HG2 THR 14 3.155 4.916 0.692 86 H VAL 15 H VAL 15 0.549 3.010 -0.665 87 HA VAL 15 HA VAL 15 -2.367 2.881 -0.091 88 HB VAL 15 HB VAL 15 -2.376 0.644 -1.189 89 HG11 VAL 15 1HG1 VAL 15 -3.367 2.640 -2.226 90 HG12 VAL 15 2HG1 VAL 15 -1.799 3.037 -2.961 91 HG13 VAL 15 3HG1 VAL 15 -2.682 1.574 -3.460 92 HG21 VAL 15 3HG2 VAL 15 0.037 0.159 -1.384 93 HG22 VAL 15 1HG2 VAL 15 -0.738 0.150 -2.975 94 HG23 VAL 15 2HG2 VAL 15 0.242 1.540 -2.496 95 H PHE 16 H PHE 16 -2.756 0.588 1.113 96 HA PHE 16 HA PHE 16 -0.675 0.270 3.171 97 HB3 PHE 16 2HB PHE 16 -3.547 1.047 3.653 98 HD1 PHE 16 2HD PHE 16 -0.340 -0.069 5.313 99 HD2 PHE 16 1HD PHE 16 -4.519 0.856 5.816 100 HE1 PHE 16 2HE PHE 16 -0.293 -1.104 7.534 101 HE2 PHE 16 1HE PHE 16 -4.447 -0.130 8.094 102 HZ PHE 16 HZ PHE 16 -2.346 -1.188 8.920 103 H CYS 17 H CYS 17 -0.272 -1.729 3.027 104 HA CYS 17 HA CYS 17 -2.192 -3.757 2.079 105 HB3 CYS 17 2HB CYS 17 -0.152 -5.075 1.908 106 HG CYS 17 HG CYS 17 0.540 -1.971 0.936 107 H MET 18 H MET 18 -3.411 -3.556 4.156 108 HA MET 18 HA MET 18 -2.042 -4.339 6.568 109 HB3 MET 18 2HB MET 18 -5.039 -4.049 6.194 110 HG3 MET 18 2HG MET 18 -3.722 -2.942 8.606 111 HE1 MET 18 3HE MET 18 -6.466 -2.037 7.596 112 HE2 MET 18 1HE MET 18 -7.502 -2.257 9.021 113 HE3 MET 18 2HE MET 18 -5.863 -1.622 9.219 114 H GLN 19 H GLN 19 -2.051 -6.531 4.489 115 HA GLN 19 HA GLN 19 -3.238 -8.639 6.138 116 HB3 GLN 19 2HB GLN 19 -4.308 -8.376 3.292 117 HG3 GLN 19 2HG GLN 19 -5.248 -9.704 5.901 118 HE21 GLN 19 1HE2 GLN 19 -6.425 -8.545 2.708 119 HE22 GLN 19 2HE2 GLN 19 -7.912 -9.411 2.789 120 H LEU 20 H LEU 20 -0.622 -8.325 5.789 121 HA LEU 20 HA LEU 20 0.321 -9.746 3.436 122 HB3 LEU 20 2HB LEU 20 2.556 -9.479 4.314 123 HG LEU 20 HG LEU 20 1.074 -6.925 5.029 124 HD11 LEU 20 1HD1 LEU 20 3.200 -5.889 4.351 125 HD12 LEU 20 2HD1 LEU 20 3.901 -7.482 4.024 126 HD13 LEU 20 3HD1 LEU 20 3.434 -7.039 5.677 127 HD21 LEU 20 3HD2 LEU 20 1.936 -7.951 2.295 128 HD22 LEU 20 1HD2 LEU 20 1.562 -6.258 2.648 129 HD23 LEU 20 2HD2 LEU 20 0.302 -7.479 2.805 130 H ALA 21 H ALA 21 1.952 -11.482 3.578 131 HA ALA 21 HA ALA 21 0.963 -13.761 5.163 132 HB1 ALA 21 1HB ALA 21 1.757 -15.207 3.409 133 HB2 ALA 21 2HB ALA 21 0.747 -13.948 2.711 134 HB3 ALA 21 3HB ALA 21 2.530 -13.845 2.577 135 H ALA 22 H ALA 22 3.272 -15.420 4.630 136 HA ALA 22 HA ALA 22 4.914 -14.356 6.862 137 HB1 ALA 22 1HB ALA 22 3.384 -16.311 7.171 138 HB2 ALA 22 2HB ALA 22 4.420 -17.228 6.064 139 HB3 ALA 22 3HB ALA 22 5.083 -16.612 7.592 140 H ARG 23 H ARG 23 5.397 -15.558 3.552 141 HA ARG 23 HA ARG 23 8.284 -15.083 3.999 142 HB3 ARG 23 2HB ARG 23 8.730 -16.962 2.278 143 HG3 ARG 23 2HG ARG 23 8.606 -18.764 4.073 144 HD3 ARG 23 2HD ARG 23 9.934 -16.085 4.665 145 HE ARG 23 HE ARG 23 9.527 -17.852 6.638 146 HH11 ARG 23 1HH1 ARG 23 12.559 -17.305 4.787 147 HH12 ARG 23 2HH1 ARG 23 13.563 -17.424 6.175 148 HH21 ARG 23 1HH2 ARG 23 10.900 -17.895 8.472 149 HH22 ARG 23 2HH2 ARG 23 12.629 -17.974 8.237 150 H ILE 24 H ILE 24 6.620 -13.228 3.391 151 HA ILE 24 HA ILE 24 6.292 -12.790 0.552 152 HB ILE 24 HB ILE 24 4.709 -11.943 2.132 153 HG13 ILE 24 2HG1 ILE 24 5.206 -10.700 0.080 154 HG21 ILE 24 1HG2 ILE 24 7.028 -10.497 3.406 155 HG22 ILE 24 2HG2 ILE 24 5.338 -10.109 3.774 156 HG23 ILE 24 3HG2 ILE 24 5.974 -11.702 4.180 157 HD11 ILE 24 3HD1 ILE 24 4.581 -8.632 2.144 158 HD12 ILE 24 1HD1 ILE 24 3.961 -8.843 0.489 159 HD13 ILE 24 2HD1 ILE 24 3.431 -9.939 1.794 160 H ARG 25 H ARG 25 7.660 -11.555 -0.751 161 HA ARG 25 HA ARG 25 10.363 -10.858 0.292 162 HB3 ARG 25 2HB ARG 25 10.307 -10.263 -2.421 163 HG3 ARG 25 2HG ARG 25 10.920 -13.131 -1.808 164 HD3 ARG 25 2HD ARG 25 13.132 -12.378 -2.805 165 HE ARG 25 HE ARG 25 10.626 -12.364 -4.309 166 HH11 ARG 25 1HH1 ARG 25 14.106 -11.592 -4.789 167 HH12 ARG 25 2HH1 ARG 25 14.053 -12.178 -6.435 168 HH21 ARG 25 1HH2 ARG 25 10.770 -13.378 -6.329 169 HH22 ARG 25 2HH2 ARG 25 12.179 -13.217 -7.302 170 HA PRO 26 HA PRO 26 9.168 -6.515 0.083 171 HB3 PRO 26 2HB PRO 26 11.292 -5.787 0.555 172 HG3 PRO 26 2HG PRO 26 13.194 -6.989 -0.202 173 HD3 PRO 26 2HD PRO 26 11.831 -8.635 0.811 174 H ARG 27 H ARG 27 10.564 -8.049 -2.871 175 HA ARG 27 HA ARG 27 9.339 -6.421 -4.766 176 HB3 ARG 27 2HB ARG 27 9.991 -9.342 -5.136 177 HG3 ARG 27 2HG ARG 27 9.250 -6.957 -6.877 178 HD3 ARG 27 2HD ARG 27 9.959 -8.365 -8.842 179 HE ARG 27 HE ARG 27 12.450 -7.535 -7.517 180 HH11 ARG 27 1HH1 ARG 27 9.519 -6.214 -9.158 181 HH12 ARG 27 2HH1 ARG 27 10.173 -4.600 -9.183 182 HH21 ARG 27 1HH2 ARG 27 13.284 -5.355 -7.829 183 HH22 ARG 27 2HH2 ARG 27 12.191 -4.144 -8.453 184 H ASP 28 H ASP 28 7.701 -8.967 -2.827 185 HA ASP 28 HA ASP 28 5.739 -9.500 -4.806 186 HB3 ASP 28 2HB ASP 28 4.343 -10.156 -2.663 187 H LEU 29 H LEU 29 6.053 -6.930 -2.412 188 HA LEU 29 HA LEU 29 3.346 -5.948 -2.579 189 HB3 LEU 29 2HB LEU 29 4.317 -3.943 -1.495 190 HG LEU 29 HG LEU 29 4.851 -4.707 0.600 191 HD11 LEU 29 1HD1 LEU 29 3.312 -6.501 1.109 192 HD12 LEU 29 2HD1 LEU 29 3.242 -6.998 -0.600 193 HD13 LEU 29 3HD1 LEU 29 2.598 -5.410 -0.090 194 HD21 LEU 29 3HD2 LEU 29 5.799 -6.782 1.239 195 HD22 LEU 29 1HD2 LEU 29 6.823 -6.081 -0.011 196 HD23 LEU 29 2HD2 LEU 29 5.739 -7.429 -0.407 197 H GLU 30 H GLU 30 6.341 -5.360 -4.452 198 HA GLU 30 HA GLU 30 5.048 -3.079 -5.747 199 HB3 GLU 30 2HB GLU 30 7.156 -2.528 -4.832 200 HG3 GLU 30 2HG GLU 30 8.207 -4.948 -6.337 201 H GLU 31 H GLU 31 5.614 -6.423 -6.337 202 HA GLU 31 HA GLU 31 5.486 -6.026 -9.242 203 HB3 GLU 31 2HB GLU 31 6.557 -8.005 -7.823 204 HG3 GLU 31 2HG GLU 31 4.235 -9.014 -7.265 205 H PHE 32 H PHE 32 3.223 -6.787 -6.581 206 HA PHE 32 HA PHE 32 1.025 -7.673 -8.048 207 HB3 PHE 32 2HB PHE 32 0.939 -5.999 -5.538 208 HD1 PHE 32 1HD PHE 32 -0.967 -8.147 -7.926 209 HD2 PHE 32 2HD PHE 32 -0.775 -6.756 -3.828 210 HE1 PHE 32 1HE PHE 32 -3.199 -8.908 -7.578 211 HE2 PHE 32 2HE PHE 32 -3.083 -7.532 -3.481 212 HZ PHE 32 HZ PHE 32 -4.336 -8.616 -5.338 213 H PHE 33 H PHE 33 1.954 -4.265 -7.510 214 HA PHE 33 HA PHE 33 -0.298 -3.490 -9.246 215 HB3 PHE 33 2HB PHE 33 -0.364 -1.428 -8.167 216 HD1 PHE 33 2HD PHE 33 -2.024 -3.463 -7.386 217 HD2 PHE 33 1HD PHE 33 1.460 -2.086 -5.242 218 HE1 PHE 33 2HE PHE 33 -2.904 -4.468 -5.297 219 HE2 PHE 33 1HE PHE 33 0.578 -3.069 -3.166 220 HZ PHE 33 HZ PHE 33 -1.609 -4.298 -3.203 221 H SER 34 H SER 34 2.891 -4.297 -9.828 222 HA SER 34 HA SER 34 3.468 -2.055 -11.623 223 HB3 SER 34 2HB SER 34 5.328 -3.292 -10.620 224 HG SER 34 HG SER 34 5.848 -5.235 -11.891 225 H THR 35 H THR 35 1.430 -4.689 -11.627 226 HA THR 35 HA THR 35 1.051 -5.501 -14.251 227 HB THR 35 HB THR 35 -1.391 -5.593 -13.360 228 HG1 THR 35 1HG THR 35 -0.658 -5.375 -10.774 229 HG21 THR 35 3HG2 THR 35 0.262 -7.464 -13.203 230 HG22 THR 35 1HG2 THR 35 -0.870 -7.445 -11.839 231 HG23 THR 35 2HG2 THR 35 0.796 -6.858 -11.626 232 H VAL 36 H VAL 36 -0.176 -2.566 -12.585 233 HA VAL 36 HA VAL 36 -0.423 -1.077 -15.105 234 HB VAL 36 HB VAL 36 -2.891 -0.596 -14.368 235 HG11 VAL 36 1HG1 VAL 36 -2.238 -1.749 -16.477 236 HG12 VAL 36 2HG1 VAL 36 -2.353 -3.297 -15.614 237 HG13 VAL 36 3HG1 VAL 36 -3.784 -2.282 -15.799 238 HG21 VAL 36 3HG2 VAL 36 -2.621 -3.365 -13.142 239 HG22 VAL 36 1HG2 VAL 36 -2.772 -1.838 -12.242 240 HG23 VAL 36 2HG2 VAL 36 -4.081 -2.388 -13.311 241 H GLY 37 H GLY 37 1.483 -0.462 -13.387 242 HA2 GLY 37 1HA GLY 37 0.862 2.139 -12.465 243 HA3 GLY 37 2HA GLY 37 0.712 0.997 -11.122 244 H LYS 38 H LYS 38 2.584 3.100 -11.134 245 HA LYS 38 HA LYS 38 5.140 1.575 -11.109 246 HB3 LYS 38 2HB LYS 38 4.735 4.521 -11.671 247 HG3 LYS 38 2HG LYS 38 7.258 2.811 -11.505 248 HD3 LYS 38 2HD LYS 38 7.891 5.570 -11.792 249 HE3 LYS 38 2HE LYS 38 8.621 4.756 -14.175 250 HZ1 LYS 38 3HZ LYS 38 10.346 4.700 -12.669 251 HZ2 LYS 38 1HZ LYS 38 10.242 3.099 -13.010 252 HZ3 LYS 38 2HZ LYS 38 9.597 3.687 -11.623 253 H VAL 39 H VAL 39 6.165 1.530 -9.322 254 HA VAL 39 HA VAL 39 4.986 2.653 -6.850 255 HB VAL 39 HB VAL 39 6.986 0.463 -7.530 256 HG11 VAL 39 1HG1 VAL 39 7.846 1.490 -5.475 257 HG12 VAL 39 2HG1 VAL 39 6.214 1.386 -4.749 258 HG13 VAL 39 3HG1 VAL 39 7.108 -0.085 -5.162 259 HG21 VAL 39 3HG2 VAL 39 5.298 -0.938 -6.404 260 HG22 VAL 39 1HG2 VAL 39 4.341 0.492 -6.002 261 HG23 VAL 39 2HG2 VAL 39 4.516 0.008 -7.706 262 H ARG 40 H ARG 40 6.120 4.084 -5.549 263 HA ARG 40 HA ARG 40 8.226 5.675 -6.881 264 HB3 ARG 40 2HB ARG 40 6.697 6.071 -4.284 265 HG3 ARG 40 2HG ARG 40 8.907 7.627 -5.671 266 HD3 ARG 40 2HD ARG 40 7.160 8.630 -3.413 267 HE ARG 40 HE ARG 40 9.238 9.922 -5.154 268 HH11 ARG 40 1HH1 ARG 40 7.683 9.954 -1.919 269 HH12 ARG 40 2HH1 ARG 40 9.059 10.699 -1.183 270 HH21 ARG 40 1HH2 ARG 40 10.784 11.089 -4.264 271 HH22 ARG 40 2HH2 ARG 40 10.619 11.815 -2.661 272 H ASP 41 H ASP 41 7.770 3.741 -3.836 273 HA ASP 41 HA ASP 41 10.291 2.451 -4.139 274 HB3 ASP 41 2HB ASP 41 10.101 4.001 -1.567 275 H VAL 42 H VAL 42 10.484 1.279 -1.613 276 HA VAL 42 HA VAL 42 7.690 0.448 -0.965 277 HB VAL 42 HB VAL 42 9.935 -1.564 -1.250 278 HG11 VAL 42 1HG1 VAL 42 8.120 -3.171 -1.150 279 HG12 VAL 42 2HG1 VAL 42 7.871 -2.015 0.176 280 HG13 VAL 42 3HG1 VAL 42 6.893 -1.887 -1.285 281 HG21 VAL 42 3HG2 VAL 42 8.916 -2.297 -3.341 282 HG22 VAL 42 1HG2 VAL 42 7.784 -0.922 -3.280 283 HG23 VAL 42 2HG2 VAL 42 9.521 -0.641 -3.519 284 H ARG 43 H ARG 43 7.671 1.668 0.917 285 HA ARG 43 HA ARG 43 9.463 1.017 3.104 286 HB3 ARG 43 2HB ARG 43 6.744 1.788 3.911 287 HG3 ARG 43 2HG ARG 43 8.674 2.460 5.276 288 HD3 ARG 43 2HD ARG 43 9.716 4.728 4.178 289 HE ARG 43 HE ARG 43 10.757 2.097 4.637 290 HH11 ARG 43 1HH1 ARG 43 11.690 5.350 3.463 291 HH12 ARG 43 2HH1 ARG 43 13.384 5.078 3.707 292 HH21 ARG 43 1HH2 ARG 43 13.013 1.835 5.062 293 HH22 ARG 43 2HH2 ARG 43 14.099 3.159 4.824 294 H MET 44 H MET 44 8.825 -0.240 5.083 295 HA MET 44 HA MET 44 6.789 -2.276 4.916 296 HB3 MET 44 2HB MET 44 9.841 -2.597 4.864 297 HG3 MET 44 2HG MET 44 7.689 -4.265 6.032 298 HE1 MET 44 3HE MET 44 10.578 -4.832 3.464 299 HE2 MET 44 1HE MET 44 10.256 -6.552 3.153 300 HE3 MET 44 2HE MET 44 8.971 -5.359 2.919 301 H ILE 45 H ILE 45 6.118 -2.619 7.149 302 HA ILE 45 HA ILE 45 7.474 -0.987 9.177 303 HB ILE 45 HB ILE 45 5.147 -2.946 9.457 304 HG13 ILE 45 2HG1 ILE 45 5.298 0.077 9.161 305 HG21 ILE 45 1HG2 ILE 45 4.917 -2.129 11.685 306 HG22 ILE 45 2HG2 ILE 45 6.608 -2.573 11.539 307 HG23 ILE 45 3HG2 ILE 45 6.133 -0.867 11.444 308 HD11 ILE 45 3HD1 ILE 45 4.573 -0.743 7.098 309 HD12 ILE 45 1HD1 ILE 45 3.824 -2.182 7.827 310 HD13 ILE 45 2HD1 ILE 45 3.016 -0.639 7.942 311 H SER 46 H SER 46 9.505 -1.743 9.386 312 HA SER 46 HA SER 46 10.278 -4.470 9.302 313 HB3 SER 46 2HB SER 46 12.437 -3.663 9.849 314 HG SER 46 HG SER 46 12.757 -2.597 8.142 315 H ASP 47 H ASP 47 8.629 -5.065 10.798 316 HA ASP 47 HA ASP 47 7.505 -5.606 12.563 317 HB3 ASP 47 2HB ASP 47 9.847 -6.091 14.228 318 H ARG 48 H ARG 48 7.315 -5.522 15.003 319 HA ARG 48 HA ARG 48 6.941 -2.626 15.521 320 HB3 ARG 48 2HB ARG 48 5.405 -4.978 16.680 321 HG3 ARG 48 2HG ARG 48 5.027 -1.957 16.443 322 HD3 ARG 48 2HD ARG 48 3.249 -2.979 18.349 323 HE ARG 48 HE ARG 48 2.085 -2.585 15.712 324 HH11 ARG 48 1HH1 ARG 48 3.608 -0.836 18.412 325 HH12 ARG 48 2HH1 ARG 48 2.738 0.633 18.130 326 HH21 ARG 48 1HH2 ARG 48 0.900 -0.592 15.375 327 HH22 ARG 48 2HH2 ARG 48 1.251 0.785 16.347 328 H ASN 49 H ASN 49 7.057 -5.552 17.574 329 HA ASN 49 HA ASN 49 9.166 -4.317 19.271 330 HB3 ASN 49 2HB ASN 49 6.859 -3.757 20.090 331 HD21 ASN 49 1HD2 ASN 49 6.565 -6.451 22.120 332 HD22 ASN 49 2HD2 ASN 49 5.275 -7.242 21.268 333 H SER 50 H SER 50 8.073 -7.151 17.655 334 HA SER 50 HA SER 50 9.773 -8.870 19.422 335 HB3 SER 50 2HB SER 50 7.956 -10.601 19.360 336 HG SER 50 HG SER 50 8.132 -9.196 21.126 337 H ARG 51 H ARG 51 7.569 -9.799 16.921 338 HA ARG 51 HA ARG 51 9.141 -9.700 14.593 339 HB3 ARG 51 2HB ARG 51 10.576 -11.405 15.412 340 HG3 ARG 51 2HG ARG 51 8.090 -12.752 16.485 341 HD3 ARG 51 2HD ARG 51 9.750 -14.603 17.091 342 HE ARG 51 HE ARG 51 9.740 -15.000 14.298 343 HH11 ARG 51 1HH1 ARG 51 7.603 -14.787 17.088 344 HH12 ARG 51 2HH1 ARG 51 6.177 -15.232 16.184 345 HH21 ARG 51 1HH2 ARG 51 7.863 -15.724 13.161 346 HH22 ARG 51 2HH2 ARG 51 6.528 -16.361 14.120 347 H ARG 52 H ARG 52 6.643 -8.887 15.382 348 HA ARG 52 HA ARG 52 4.913 -10.346 13.754 349 HB3 ARG 52 2HB ARG 52 4.008 -11.480 15.162 350 HG3 ARG 52 2HG ARG 52 5.352 -10.905 17.004 351 HD3 ARG 52 2HD ARG 52 3.214 -8.789 17.366 352 HE ARG 52 HE ARG 52 4.603 -10.085 19.617 353 HH11 ARG 52 1HH1 ARG 52 3.079 -7.157 18.392 354 HH12 ARG 52 2HH1 ARG 52 2.219 -6.724 19.802 355 HH21 ARG 52 1HH2 ARG 52 3.659 -9.382 21.743 356 HH22 ARG 52 2HH2 ARG 52 2.827 -7.855 21.807 357 H SER 53 H SER 53 5.556 -8.284 12.586 358 HA SER 53 HA SER 53 4.524 -5.776 13.313 359 HB3 SER 53 2HB SER 53 4.035 -6.051 10.517 360 HG SER 53 HG SER 53 6.152 -4.974 10.455 361 H LYS 54 H LYS 54 2.729 -8.656 12.480 362 HA LYS 54 HA LYS 54 0.565 -9.113 12.441 363 HB3 LYS 54 2HB LYS 54 -1.110 -7.856 13.388 364 HG3 LYS 54 2HG LYS 54 1.116 -6.583 14.969 365 HD3 LYS 54 2HD LYS 54 -1.262 -6.669 15.772 366 HE3 LYS 54 2HE LYS 54 -0.627 -9.639 16.109 367 HZ1 LYS 54 3HZ LYS 54 -2.934 -9.725 16.841 368 HZ2 LYS 54 1HZ LYS 54 -3.069 -8.094 16.675 369 HZ3 LYS 54 2HZ LYS 54 -2.079 -8.747 17.821 370 H GLY 55 H GLY 55 2.048 -8.370 10.212 371 HA2 GLY 55 1HA GLY 55 1.689 -8.668 8.011 372 HA3 GLY 55 2HA GLY 55 -0.020 -8.869 8.391 373 H ILE 56 H ILE 56 2.444 -6.234 8.062 374 HA ILE 56 HA ILE 56 0.420 -4.540 6.722 375 HB ILE 56 HB ILE 56 1.348 -2.650 8.224 376 HG13 ILE 56 2HG1 ILE 56 3.119 -4.063 9.307 377 HG21 ILE 56 1HG2 ILE 56 -1.003 -3.486 8.235 378 HG22 ILE 56 2HG2 ILE 56 -0.563 -4.703 9.445 379 HG23 ILE 56 3HG2 ILE 56 -0.490 -2.972 9.835 380 HD11 ILE 56 3HD1 ILE 56 2.935 -3.096 11.464 381 HD12 ILE 56 1HD1 ILE 56 2.239 -1.928 10.320 382 HD13 ILE 56 2HD1 ILE 56 1.178 -2.922 11.340 383 H ALA 57 H ALA 57 1.292 -3.118 5.247 384 HA ALA 57 HA ALA 57 3.948 -2.114 5.490 385 HB1 ALA 57 1HB ALA 57 4.579 -3.996 4.065 386 HB2 ALA 57 2HB ALA 57 3.241 -3.638 2.944 387 HB3 ALA 57 3HB ALA 57 4.598 -2.511 3.114 388 H TYR 58 H TYR 58 4.039 -0.088 4.149 389 HA TYR 58 HA TYR 58 1.529 0.685 2.767 390 HB3 TYR 58 2HB TYR 58 1.989 2.993 3.310 391 HD1 TYR 58 2HD TYR 58 3.328 1.287 6.336 392 HD2 TYR 58 1HD TYR 58 -0.053 3.241 4.525 393 HE1 TYR 58 2HE TYR 58 2.166 1.228 8.486 394 HE2 TYR 58 1HE TYR 58 -1.227 3.240 6.723 395 HH TYR 58 HH TYR 58 0.432 2.055 9.695 396 H VAL 59 H VAL 59 2.042 1.497 0.700 397 HA VAL 59 HA VAL 59 4.880 1.170 -0.182 398 HB VAL 59 HB VAL 59 2.359 0.224 -1.618 399 HG11 VAL 59 1HG1 VAL 59 3.890 -0.784 -3.264 400 HG12 VAL 59 2HG1 VAL 59 4.091 0.973 -3.202 401 HG13 VAL 59 3HG1 VAL 59 5.287 -0.074 -2.414 402 HG21 VAL 59 3HG2 VAL 59 2.897 -1.292 0.258 403 HG22 VAL 59 1HG2 VAL 59 3.171 -2.046 -1.310 404 HG23 VAL 59 2HG2 VAL 59 4.558 -1.455 -0.353 405 H GLU 60 H GLU 60 5.569 3.129 -0.892 406 HA GLU 60 HA GLU 60 3.609 5.177 -1.513 407 HB3 GLU 60 2HB GLU 60 5.504 6.056 -0.430 408 HG3 GLU 60 2HG GLU 60 7.814 5.915 -1.683 409 H PHE 61 H PHE 61 2.783 5.678 -3.433 410 HA PHE 61 HA PHE 61 3.791 4.261 -5.833 411 HB3 PHE 61 2HB PHE 61 1.185 5.565 -6.090 412 HD1 PHE 61 2HD PHE 61 2.193 2.102 -5.054 413 HD2 PHE 61 1HD PHE 61 0.920 4.644 -8.309 414 HE1 PHE 61 2HE PHE 61 2.061 0.141 -6.538 415 HE2 PHE 61 1HE PHE 61 0.793 2.695 -9.776 416 HZ PHE 61 HZ PHE 61 1.380 0.413 -8.930 417 H VAL 62 H VAL 62 3.553 5.492 -7.924 418 HA VAL 62 HA VAL 62 4.720 8.163 -7.563 419 HB VAL 62 HB VAL 62 4.365 6.358 -10.009 420 HG11 VAL 62 1HG1 VAL 62 5.871 9.000 -9.804 421 HG12 VAL 62 2HG1 VAL 62 6.055 7.823 -11.127 422 HG13 VAL 62 3HG1 VAL 62 4.513 8.622 -10.878 423 HG21 VAL 62 3HG2 VAL 62 6.921 6.252 -9.733 424 HG22 VAL 62 1HG2 VAL 62 6.644 6.918 -8.103 425 HG23 VAL 62 2HG2 VAL 62 5.933 5.383 -8.561 426 H ASP 63 H ASP 63 1.501 6.991 -8.009 427 HA ASP 63 HA ASP 63 0.609 9.513 -9.302 428 HB3 ASP 63 2HB ASP 63 -0.420 6.753 -10.109 429 H VAL 64 H VAL 64 -1.886 9.524 -9.259 430 HA VAL 64 HA VAL 64 -2.833 8.664 -6.583 431 HB VAL 64 HB VAL 64 -3.461 10.890 -7.207 432 HG11 VAL 64 1HG1 VAL 64 -4.667 9.826 -9.781 433 HG12 VAL 64 2HG1 VAL 64 -4.931 11.449 -9.107 434 HG13 VAL 64 3HG1 VAL 64 -3.317 10.959 -9.606 435 HG21 VAL 64 3HG2 VAL 64 -5.824 10.788 -6.879 436 HG22 VAL 64 1HG2 VAL 64 -5.929 9.154 -7.560 437 HG23 VAL 64 2HG2 VAL 64 -5.105 9.417 -6.015 438 H SER 65 H SER 65 -3.204 7.893 -10.115 439 HA SER 65 HA SER 65 -5.769 6.925 -9.669 440 HB3 SER 65 2HB SER 65 -5.616 5.965 -11.949 441 HG SER 65 HG SER 65 -5.400 7.889 -12.881 442 H SER 66 H SER 66 -2.764 4.953 -9.421 443 HA SER 66 HA SER 66 -4.239 2.545 -9.355 444 HB3 SER 66 2HB SER 66 -2.249 1.448 -8.847 445 HG SER 66 HG SER 66 -2.024 2.029 -10.887 446 H VAL 67 H VAL 67 -4.279 4.982 -6.939 447 HA VAL 67 HA VAL 67 -4.273 3.264 -4.605 448 HB VAL 67 HB VAL 67 -5.260 6.116 -5.012 449 HG11 VAL 67 1HG1 VAL 67 -6.613 5.064 -3.224 450 HG12 VAL 67 2HG1 VAL 67 -5.119 4.516 -2.425 451 HG13 VAL 67 3HG1 VAL 67 -5.490 6.246 -2.569 452 HG21 VAL 67 3HG2 VAL 67 -3.363 6.711 -3.576 453 HG22 VAL 67 1HG2 VAL 67 -2.848 5.025 -3.517 454 HG23 VAL 67 2HG2 VAL 67 -2.813 5.919 -5.050 455 HA PRO 68 HA PRO 68 -8.970 3.075 -5.161 456 HB3 PRO 68 2HB PRO 68 -9.970 5.022 -5.857 457 HG3 PRO 68 2HG PRO 68 -8.896 6.445 -7.455 458 HD3 PRO 68 2HD PRO 68 -7.367 6.085 -5.694 459 H LEU 69 H LEU 69 -6.638 2.522 -7.673 460 HA LEU 69 HA LEU 69 -8.110 0.433 -9.005 461 HB3 LEU 69 2HB LEU 69 -5.105 0.600 -8.796 462 HG LEU 69 HG LEU 69 -6.906 -0.150 -11.121 463 HD11 LEU 69 1HD1 LEU 69 -4.812 1.118 -11.635 464 HD12 LEU 69 2HD1 LEU 69 -4.872 -0.502 -12.326 465 HD13 LEU 69 3HD1 LEU 69 -3.876 -0.185 -10.878 466 HD21 LEU 69 3HD2 LEU 69 -5.210 -1.868 -9.263 467 HD22 LEU 69 1HD2 LEU 69 -5.596 -2.373 -10.907 468 HD23 LEU 69 2HD2 LEU 69 -6.898 -2.106 -9.752 469 H ALA 70 H ALA 70 -5.457 0.461 -6.548 470 HA ALA 70 HA ALA 70 -5.390 -2.230 -5.941 471 HB1 ALA 70 1HB ALA 70 -4.991 0.088 -3.998 472 HB2 ALA 70 2HB ALA 70 -4.313 -1.550 -3.849 473 HB3 ALA 70 3HB ALA 70 -3.769 -0.494 -5.170 474 H ILE 71 H ILE 71 -7.728 0.150 -4.808 475 HA ILE 71 HA ILE 71 -8.979 -1.311 -2.705 476 HB ILE 71 HB ILE 71 -9.907 0.810 -4.671 477 HG13 ILE 71 2HG1 ILE 71 -8.229 1.467 -3.013 478 HG21 ILE 71 1HG2 ILE 71 -11.583 -0.322 -2.405 479 HG22 ILE 71 2HG2 ILE 71 -11.966 1.120 -3.365 480 HG23 ILE 71 3HG2 ILE 71 -11.917 -0.454 -4.133 481 HD11 ILE 71 3HD1 ILE 71 -10.856 2.517 -1.898 482 HD12 ILE 71 1HD1 ILE 71 -9.264 3.288 -1.875 483 HD13 ILE 71 2HD1 ILE 71 -10.151 3.127 -3.403 484 H GLY 72 H GLY 72 -9.542 -1.290 -6.246 485 HA2 GLY 72 1HA GLY 72 -11.502 -3.373 -6.241 486 HA3 GLY 72 2HA GLY 72 -10.624 -2.723 -7.627 487 H LEU 73 H LEU 73 -8.362 -3.772 -5.261 488 HA LEU 73 HA LEU 73 -8.279 -6.554 -6.361 489 HB3 LEU 73 2HB LEU 73 -5.929 -6.617 -5.995 490 HG LEU 73 HG LEU 73 -6.676 -4.227 -7.742 491 HD11 LEU 73 1HD1 LEU 73 -4.447 -4.602 -8.784 492 HD12 LEU 73 2HD1 LEU 73 -4.042 -5.744 -7.481 493 HD13 LEU 73 3HD1 LEU 73 -4.346 -4.027 -7.124 494 HD21 LEU 73 3HD2 LEU 73 -6.275 -5.909 -9.554 495 HD22 LEU 73 1HD2 LEU 73 -7.655 -6.300 -8.536 496 HD23 LEU 73 2HD2 LEU 73 -6.095 -7.166 -8.321 497 H THR 74 H THR 74 -9.233 -4.822 -3.650 498 HA THR 74 HA THR 74 -8.076 -6.034 -1.441 499 HB THR 74 HB THR 74 -9.748 -4.226 -1.538 500 HG1 THR 74 1HG THR 74 -10.304 -6.282 0.335 501 HG21 THR 74 3HG2 THR 74 -12.141 -4.728 -1.388 502 HG22 THR 74 1HG2 THR 74 -11.831 -6.457 -1.576 503 HG23 THR 74 2HG2 THR 74 -11.506 -5.340 -2.917 504 H GLY 75 H GLY 75 -10.146 -7.470 -3.803 505 HA2 GLY 75 1HA GLY 75 -10.616 -9.928 -2.192 506 HA3 GLY 75 2HA GLY 75 -11.516 -9.417 -3.623 507 H GLN 76 H GLN 76 -7.998 -9.147 -3.773 508 HA GLN 76 HA GLN 76 -7.739 -11.747 -5.132 509 HB3 GLN 76 2HB GLN 76 -6.368 -10.834 -6.844 510 HG3 GLN 76 2HG GLN 76 -8.475 -8.706 -6.972 511 HE21 GLN 76 1HE2 GLN 76 -7.738 -8.074 -9.071 512 HE22 GLN 76 2HE2 GLN 76 -7.639 -9.165 -10.410 513 H ARG 77 H ARG 77 -5.355 -12.295 -5.215 514 HA ARG 77 HA ARG 77 -3.743 -11.073 -3.109 515 HB3 ARG 77 2HB ARG 77 -4.835 -12.524 -1.645 516 HG3 ARG 77 2HG ARG 77 -4.739 -14.766 -3.678 517 HD3 ARG 77 2HD ARG 77 -5.668 -14.580 -0.772 518 HE ARG 77 HE ARG 77 -7.155 -15.825 -2.590 519 HH11 ARG 77 1HH1 ARG 77 -4.852 -17.359 -0.328 520 HH12 ARG 77 2HH1 ARG 77 -5.494 -18.948 -0.652 521 HH21 ARG 77 1HH2 ARG 77 -7.927 -17.797 -2.904 522 HH22 ARG 77 2HH2 ARG 77 -7.375 -19.210 -2.071 523 H VAL 78 H VAL 78 -1.703 -11.109 -3.609 524 HA VAL 78 HA VAL 78 -0.746 -12.827 -5.787 525 HB VAL 78 HB VAL 78 0.104 -10.671 -5.928 526 HG11 VAL 78 1HG1 VAL 78 1.289 -9.455 -4.129 527 HG12 VAL 78 2HG1 VAL 78 -0.415 -9.757 -3.757 528 HG13 VAL 78 3HG1 VAL 78 0.853 -10.779 -3.043 529 HG21 VAL 78 3HG2 VAL 78 2.581 -10.878 -5.450 530 HG22 VAL 78 1HG2 VAL 78 2.280 -12.313 -4.494 531 HG23 VAL 78 2HG2 VAL 78 1.929 -12.320 -6.248 532 H LEU 79 H LEU 79 -0.689 -14.724 -5.165 533 HA LEU 79 HA LEU 79 -0.036 -16.740 -4.173 534 HB3 LEU 79 2HB LEU 79 2.283 -16.794 -3.417 535 HG LEU 79 HG LEU 79 1.944 -14.748 -5.657 536 HD11 LEU 79 1HD1 LEU 79 4.238 -15.138 -6.222 537 HD12 LEU 79 2HD1 LEU 79 4.440 -16.296 -4.877 538 HD13 LEU 79 3HD1 LEU 79 4.158 -14.568 -4.560 539 HD21 LEU 79 3HD2 LEU 79 0.985 -16.960 -6.175 540 HD22 LEU 79 1HD2 LEU 79 2.501 -17.741 -5.693 541 HD23 LEU 79 2HD2 LEU 79 2.440 -16.678 -7.117 542 H GLY 80 H GLY 80 -1.636 -14.839 -2.401 543 HA2 GLY 80 1HA GLY 80 -2.640 -15.797 -0.307 544 HA3 GLY 80 2HA GLY 80 -1.015 -16.224 0.161 545 H VAL 81 H VAL 81 -0.618 -13.239 -1.218 546 HA VAL 81 HA VAL 81 -1.121 -11.704 1.263 547 HB VAL 81 HB VAL 81 0.743 -11.251 -1.069 548 HG11 VAL 81 1HG1 VAL 81 0.141 -9.495 1.330 549 HG12 VAL 81 2HG1 VAL 81 1.578 -9.306 0.280 550 HG13 VAL 81 3HG1 VAL 81 -0.035 -9.073 -0.372 551 HG21 VAL 81 3HG2 VAL 81 2.519 -11.552 0.531 552 HG22 VAL 81 1HG2 VAL 81 1.317 -11.824 1.824 553 HG23 VAL 81 2HG2 VAL 81 1.499 -12.982 0.491 554 HA PRO 82 HA PRO 82 -4.402 -9.993 -1.467 555 HB3 PRO 82 2HB PRO 82 -6.100 -11.260 -0.419 556 HG3 PRO 82 2HG PRO 82 -5.797 -11.993 1.859 557 HD3 PRO 82 2HD PRO 82 -3.912 -12.832 0.716 558 H ILE 83 H ILE 83 -5.673 -7.907 -0.738 559 HA ILE 83 HA ILE 83 -3.972 -6.222 0.995 560 HB ILE 83 HB ILE 83 -3.447 -5.718 -1.326 561 HG13 ILE 83 2HG1 ILE 83 -3.764 -3.937 0.631 562 HG21 ILE 83 1HG2 ILE 83 -6.320 -4.821 -1.761 563 HG22 ILE 83 2HG2 ILE 83 -4.979 -4.760 -2.912 564 HG23 ILE 83 3HG2 ILE 83 -5.617 -6.321 -2.402 565 HD11 ILE 83 3HD1 ILE 83 -2.075 -3.704 -1.089 566 HD12 ILE 83 1HD1 ILE 83 -3.304 -3.063 -2.225 567 HD13 ILE 83 2HD1 ILE 83 -2.878 -2.160 -0.758 568 H ILE 84 H ILE 84 -5.378 -4.156 1.515 569 HA ILE 84 HA ILE 84 -8.231 -4.817 1.896 570 HB ILE 84 HB ILE 84 -6.362 -3.414 3.844 571 HG13 ILE 84 2HG1 ILE 84 -6.804 -5.167 5.448 572 HG21 ILE 84 1HG2 ILE 84 -8.386 -3.330 5.372 573 HG22 ILE 84 2HG2 ILE 84 -8.588 -2.349 3.920 574 HG23 ILE 84 3HG2 ILE 84 -9.389 -3.905 4.025 575 HD11 ILE 84 3HD1 ILE 84 -9.048 -5.983 4.807 576 HD12 ILE 84 1HD1 ILE 84 -8.364 -6.673 3.320 577 HD13 ILE 84 2HD1 ILE 84 -7.861 -7.279 4.915 578 H VAL 85 H VAL 85 -9.533 -3.093 1.439 579 HA VAL 85 HA VAL 85 -8.947 -1.111 -0.382 580 HB VAL 85 HB VAL 85 -11.094 -1.621 1.666 581 HG11 VAL 85 1HG1 VAL 85 -12.636 -0.130 0.377 582 HG12 VAL 85 2HG1 VAL 85 -11.425 0.652 1.383 583 HG13 VAL 85 3HG1 VAL 85 -11.204 0.590 -0.386 584 HG21 VAL 85 3HG2 VAL 85 -12.403 -2.214 -0.463 585 HG22 VAL 85 1HG2 VAL 85 -10.830 -2.158 -1.301 586 HG23 VAL 85 2HG2 VAL 85 -11.102 -3.261 0.048 587 H GLN 86 H GLN 86 -8.219 -0.886 2.958 588 HA GLN 86 HA GLN 86 -8.831 1.564 3.830 589 HB3 GLN 86 2HB GLN 86 -6.532 1.652 4.991 590 HG3 GLN 86 2HG GLN 86 -6.999 -0.018 6.554 591 HE21 GLN 86 1HE2 GLN 86 -7.909 2.658 6.360 592 HE22 GLN 86 2HE2 GLN 86 -9.535 2.640 7.027 593 H ALA 87 H ALA 87 -6.027 1.140 1.633 594 HA ALA 87 HA ALA 87 -4.615 2.506 0.745 595 HB1 ALA 87 1HB ALA 87 -5.272 4.778 0.098 596 HB2 ALA 87 2HB ALA 87 -6.604 3.632 -0.214 597 HB3 ALA 87 3HB ALA 87 -6.680 4.700 1.185 598 H SER 88 H SER 88 -3.414 4.610 1.334 599 HA SER 88 HA SER 88 -3.224 4.898 4.301 600 HB3 SER 88 2HB SER 88 -1.383 6.280 2.342 601 HG SER 88 HG SER 88 -1.107 6.790 4.442 602 H GLN 89 H GLN 89 -4.320 6.689 5.069 603 HA GLN 89 HA GLN 89 -5.305 8.699 3.131 604 HB3 GLN 89 2HB GLN 89 -7.320 8.776 4.550 605 HG3 GLN 89 2HG GLN 89 -6.798 6.237 3.106 606 HE21 GLN 89 1HE2 GLN 89 -9.531 6.760 1.694 607 HE22 GLN 89 2HE2 GLN 89 -10.666 6.136 2.870 608 H ALA 90 H ALA 90 -5.484 10.750 3.997 609 HA ALA 90 HA ALA 90 -3.435 11.223 5.943 610 HB1 ALA 90 1HB ALA 90 -3.803 13.612 5.329 611 HB2 ALA 90 2HB ALA 90 -3.668 12.604 3.882 612 HB3 ALA 90 3HB ALA 90 -5.265 13.166 4.441 613 H GLU 91 H GLU 91 -3.783 13.000 7.585 614 HA GLU 91 HA GLU 91 -5.585 11.975 9.521 615 HB3 GLU 91 2HB GLU 91 -4.003 14.516 9.923 616 HG3 GLU 91 2HG GLU 91 -4.102 11.898 11.504 617 H LYS 92 H LYS 92 -6.901 13.231 7.274 618 HA LYS 92 HA LYS 92 -8.161 15.725 8.365 619 HB3 LYS 92 2HB LYS 92 -8.552 16.351 6.078 620 HG3 LYS 92 2HG LYS 92 -5.671 15.342 6.124 621 HD3 LYS 92 2HD LYS 92 -6.953 17.907 5.133 622 HE3 LYS 92 2HE LYS 92 -4.077 16.937 4.831 623 HZ1 LYS 92 3HZ LYS 92 -4.585 18.588 3.165 624 HZ2 LYS 92 1HZ LYS 92 -3.817 19.352 4.353 625 HZ3 LYS 92 2HZ LYS 92 -5.430 19.507 4.244 626 H ASN 93 H ASN 93 -8.846 12.490 7.934 627 HA ASN 93 HA ASN 93 -11.635 12.977 7.085 628 HB3 ASN 93 2HB ASN 93 -11.777 10.382 7.412 629 HD21 ASN 93 1HD2 ASN 93 -10.084 9.139 5.460 630 HD22 ASN 93 2HD2 ASN 93 -10.395 9.922 3.930 631 H ARG 94 H ARG 94 -9.900 12.995 9.890 632 HA ARG 94 HA ARG 94 -10.149 12.674 12.067 633 HB3 ARG 94 2HB ARG 94 -12.070 13.431 13.242 634 HG3 ARG 94 2HG ARG 94 -11.895 15.460 11.057 635 HD3 ARG 94 2HD ARG 94 -12.804 15.887 13.420 636 HE ARG 94 HE ARG 94 -10.223 14.957 14.212 637 HH11 ARG 94 1HH1 ARG 94 -12.460 17.591 14.914 638 HH12 ARG 94 2HH1 ARG 94 -11.844 17.955 16.474 639 HH21 ARG 94 1HH2 ARG 94 -9.499 15.226 16.339 640 HH22 ARG 94 2HH2 ARG 94 -9.924 16.644 17.253 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -18.065 20.354 -11.011 2 HA2 GLY 1 1HA GLY 1 -16.161 20.017 -12.424 3 HA3 GLY 1 2HA GLY 1 -15.847 21.421 -11.382 4 H HIS 2 H HIS 2 -13.778 19.978 -12.575 5 HA HIS 2 HA HIS 2 -12.204 19.058 -10.309 6 HB3 HIS 2 2HB HIS 2 -12.783 16.906 -10.815 7 HD1 HIS 2 1HD HIS 2 -14.848 15.786 -11.810 8 HD2 HIS 2 2HD HIS 2 -12.602 17.954 -14.636 9 HE1 HIS 2 1HE HIS 2 -16.065 15.573 -14.031 10 H MET 3 H MET 3 -10.460 20.422 -10.587 11 HA MET 3 HA MET 3 -9.238 20.643 -13.262 12 HB3 MET 3 2HB MET 3 -8.935 23.119 -12.997 13 HG3 MET 3 2HG MET 3 -11.870 22.441 -13.215 14 HE1 MET 3 3HE MET 3 -8.753 24.011 -15.171 15 HE2 MET 3 1HE MET 3 -9.853 23.235 -16.332 16 HE3 MET 3 2HE MET 3 -9.655 25.001 -16.339 17 H ASN 4 H ASN 4 -8.553 22.647 -10.386 18 HA ASN 4 HA ASN 4 -5.852 21.693 -10.214 19 HB3 ASN 4 2HB ASN 4 -6.114 22.696 -7.791 20 HD21 ASN 4 1HD2 ASN 4 -4.134 23.487 -8.730 21 HD22 ASN 4 2HD2 ASN 4 -4.148 24.925 -9.749 22 H LEU 5 H LEU 5 -4.913 20.326 -8.658 23 HA LEU 5 HA LEU 5 -6.659 18.186 -7.621 24 HB3 LEU 5 2HB LEU 5 -3.694 18.504 -7.110 25 HG LEU 5 HG LEU 5 -5.202 16.691 -5.971 26 HD11 LEU 5 1HD1 LEU 5 -6.475 16.046 -8.028 27 HD12 LEU 5 2HD1 LEU 5 -5.617 14.678 -7.328 28 HD13 LEU 5 3HD1 LEU 5 -4.960 15.503 -8.766 29 HD21 LEU 5 3HD2 LEU 5 -3.436 15.018 -6.131 30 HD22 LEU 5 1HD2 LEU 5 -2.755 16.650 -6.024 31 HD23 LEU 5 2HD2 LEU 5 -2.777 15.809 -7.589 32 H THR 6 H THR 6 -7.177 17.990 -5.452 33 HA THR 6 HA THR 6 -6.925 20.312 -3.756 34 HB THR 6 HB THR 6 -8.008 18.527 -2.174 35 HG1 THR 6 1HG THR 6 -8.899 16.788 -3.229 36 HG21 THR 6 3HG2 THR 6 -9.458 19.296 -4.750 37 HG22 THR 6 1HG2 THR 6 -9.263 20.355 -3.337 38 HG23 THR 6 2HG2 THR 6 -10.207 18.867 -3.193 39 HA PRO 7 HA PRO 7 -3.219 19.270 -1.745 40 HB3 PRO 7 2HB PRO 7 -3.439 21.028 -0.308 41 HG3 PRO 7 2HG PRO 7 -5.539 21.644 0.557 42 HD3 PRO 7 2HD PRO 7 -5.976 21.411 -1.738 43 H GLU 8 H GLU 8 -6.010 17.936 0.043 44 HA GLU 8 HA GLU 8 -4.747 15.846 1.394 45 HB3 GLU 8 2HB GLU 8 -7.024 14.889 1.602 46 HG3 GLU 8 2HG GLU 8 -7.138 17.930 1.759 47 H GLU 9 H GLU 9 -5.761 15.981 -1.995 48 HA GLU 9 HA GLU 9 -5.767 13.092 -2.357 49 HB3 GLU 9 2HB GLU 9 -5.572 14.232 -4.895 50 HG3 GLU 9 2HG GLU 9 -7.935 13.742 -3.044 51 H ARG 10 H ARG 10 -3.425 15.748 -2.986 52 HA ARG 10 HA ARG 10 -1.487 13.820 -4.041 53 HB3 ARG 10 2HB ARG 10 -0.317 16.307 -3.015 54 HG3 ARG 10 2HG ARG 10 -0.657 15.681 -5.949 55 HD3 ARG 10 2HD ARG 10 0.656 17.667 -4.885 56 HE ARG 10 HE ARG 10 2.412 15.334 -4.306 57 HH11 ARG 10 1HH1 ARG 10 2.004 18.870 -3.985 58 HH12 ARG 10 2HH1 ARG 10 3.181 18.986 -2.708 59 HH21 ARG 10 1HH2 ARG 10 3.761 15.534 -2.535 60 HH22 ARG 10 2HH2 ARG 10 4.394 17.074 -2.035 61 H ASP 11 H ASP 11 -2.165 15.276 -0.828 62 HA ASP 11 HA ASP 11 0.277 14.569 0.408 63 HB3 ASP 11 2HB ASP 11 -1.697 14.482 2.384 64 H ALA 12 H ALA 12 -2.665 12.733 -0.230 65 HA ALA 12 HA ALA 12 -1.945 10.606 1.633 66 HB1 ALA 12 1HB ALA 12 -4.230 11.633 1.406 67 HB2 ALA 12 2HB ALA 12 -4.360 10.848 -0.183 68 HB3 ALA 12 3HB ALA 12 -4.180 9.873 1.310 69 H ARG 13 H ARG 13 -0.289 10.962 -0.834 70 HA ARG 13 HA ARG 13 -0.906 9.069 -2.856 71 HB3 ARG 13 2HB ARG 13 1.901 9.735 -2.810 72 HG2 ARG 13 2HG ARG 13 -0.689 10.395 -4.346 73 HD3 ARG 13 2HD ARG 13 1.439 8.340 -4.593 74 HE ARG 13 HE ARG 13 -0.642 8.747 -6.623 75 HH11 ARG 13 1HH1 ARG 13 0.123 7.086 -3.637 76 HH12 ARG 13 2HH1 ARG 13 -1.382 6.256 -3.515 77 HH21 ARG 13 1HH2 ARG 13 -2.380 7.132 -6.768 78 HH22 ARG 13 2HH2 ARG 13 -2.523 5.973 -5.453 79 H THR 14 H THR 14 -0.151 8.231 0.096 80 HA THR 14 HA THR 14 1.307 5.697 -0.736 81 HB THR 14 HB THR 14 0.946 6.324 2.200 82 HG1 THR 14 1HG THR 14 1.634 8.287 1.416 83 HG21 THR 14 3HG2 THR 14 3.349 5.309 0.624 84 HG22 THR 14 1HG2 THR 14 2.094 4.272 1.342 85 HG23 THR 14 2HG2 THR 14 3.117 5.273 2.390 86 H VAL 15 H VAL 15 0.436 3.652 -0.518 87 HA VAL 15 HA VAL 15 -2.389 3.439 0.391 88 HB VAL 15 HB VAL 15 -2.242 1.228 -0.956 89 HG11 VAL 15 1HG1 VAL 15 -3.750 2.993 -1.503 90 HG12 VAL 15 2HG1 VAL 15 -2.462 3.901 -2.311 91 HG13 VAL 15 3HG1 VAL 15 -3.042 2.341 -2.979 92 HG21 VAL 15 3HG2 VAL 15 0.231 1.435 -1.461 93 HG22 VAL 15 1HG2 VAL 15 -0.787 1.126 -2.868 94 HG23 VAL 15 2HG2 VAL 15 -0.151 2.760 -2.565 95 H PHE 16 H PHE 16 -2.648 0.852 1.010 96 HA PHE 16 HA PHE 16 -0.683 0.300 3.104 97 HB3 PHE 16 2HB PHE 16 -3.603 0.986 3.603 98 HD1 PHE 16 2HD PHE 16 -0.433 -0.317 5.166 99 HD2 PHE 16 1HD PHE 16 -4.545 0.813 5.790 100 HE1 PHE 16 2HE PHE 16 -0.389 -1.426 7.333 101 HE2 PHE 16 1HE PHE 16 -4.472 -0.281 8.037 102 HZ PHE 16 HZ PHE 16 -2.404 -1.470 8.768 103 H CYS 17 H CYS 17 -0.392 -1.804 3.005 104 HA CYS 17 HA CYS 17 -2.629 -3.682 2.370 105 HB3 CYS 17 2HB CYS 17 -1.019 -5.403 2.061 106 HG CYS 17 HG CYS 17 -0.369 -5.053 -0.117 107 H MET 18 H MET 18 -3.465 -4.785 4.145 108 HA MET 18 HA MET 18 -1.924 -4.801 6.717 109 HB3 MET 18 2HB MET 18 -4.889 -4.313 6.413 110 HG3 MET 18 2HG MET 18 -3.430 -3.384 8.823 111 HE1 MET 18 3HE MET 18 -7.124 -2.271 9.170 112 HE2 MET 18 1HE MET 18 -5.432 -1.852 9.517 113 HE3 MET 18 2HE MET 18 -5.946 -2.144 7.841 114 H GLN 19 H GLN 19 -2.020 -6.982 4.713 115 HA GLN 19 HA GLN 19 -3.298 -9.075 6.336 116 HB3 GLN 19 2HB GLN 19 -4.022 -9.131 3.408 117 HG3 GLN 19 2HG GLN 19 -5.567 -9.792 5.966 118 HE21 GLN 19 1HE2 GLN 19 -6.554 -8.489 3.347 119 HE22 GLN 19 2HE2 GLN 19 -7.708 -9.595 2.678 120 H LEU 20 H LEU 20 -0.503 -8.350 5.634 121 HA LEU 20 HA LEU 20 0.213 -9.905 3.315 122 HB3 LEU 20 2HB LEU 20 2.549 -9.237 3.808 123 HG LEU 20 HG LEU 20 0.680 -6.880 4.283 124 HD11 LEU 20 1HD1 LEU 20 2.527 -5.580 3.477 125 HD12 LEU 20 2HD1 LEU 20 3.528 -7.016 3.199 126 HD13 LEU 20 3HD1 LEU 20 3.090 -6.546 4.848 127 HD21 LEU 20 3HD2 LEU 20 1.736 -8.097 1.701 128 HD22 LEU 20 1HD2 LEU 20 0.992 -6.512 1.811 129 HD23 LEU 20 2HD2 LEU 20 0.030 -7.939 2.193 130 H ALA 21 H ALA 21 2.082 -11.384 3.250 131 HA ALA 21 HA ALA 21 1.884 -13.600 5.120 132 HB1 ALA 21 1HB ALA 21 3.699 -13.034 2.730 133 HB2 ALA 21 2HB ALA 21 3.729 -14.530 3.676 134 HB3 ALA 21 3HB ALA 21 2.274 -14.101 2.785 135 H ALA 22 H ALA 22 3.846 -14.495 6.094 136 HA ALA 22 HA ALA 22 5.744 -12.707 7.382 137 HB1 ALA 22 1HB ALA 22 6.905 -14.879 7.903 138 HB2 ALA 22 2HB ALA 22 5.222 -14.828 8.423 139 HB3 ALA 22 3HB ALA 22 5.671 -15.735 6.959 140 H ARG 23 H ARG 23 5.912 -14.954 4.581 141 HA ARG 23 HA ARG 23 8.770 -14.318 4.224 142 HB3 ARG 23 2HB ARG 23 8.554 -16.283 2.541 143 HG3 ARG 23 2HG ARG 23 8.215 -18.003 4.384 144 HD3 ARG 23 2HD ARG 23 10.252 -15.755 4.650 145 HE ARG 23 HE ARG 23 10.853 -16.657 6.615 146 HH11 ARG 23 1HH1 ARG 23 10.242 -19.382 4.393 147 HH12 ARG 23 2HH1 ARG 23 10.806 -20.547 5.530 148 HH21 ARG 23 1HH2 ARG 23 11.478 -18.255 8.136 149 HH22 ARG 23 2HH2 ARG 23 11.625 -19.888 7.652 150 H ILE 24 H ILE 24 6.634 -12.368 3.441 151 HA ILE 24 HA ILE 24 6.837 -12.068 0.567 152 HB ILE 24 HB ILE 24 4.980 -11.240 1.984 153 HG13 ILE 24 2HG1 ILE 24 5.761 -10.207 -0.229 154 HG21 ILE 24 1HG2 ILE 24 5.183 -9.265 3.417 155 HG22 ILE 24 2HG2 ILE 24 6.245 -10.537 4.022 156 HG23 ILE 24 3HG2 ILE 24 6.924 -9.178 3.112 157 HD11 ILE 24 3HD1 ILE 24 3.500 -9.923 0.831 158 HD12 ILE 24 1HD1 ILE 24 4.094 -8.377 1.480 159 HD13 ILE 24 2HD1 ILE 24 4.029 -8.646 -0.276 160 H ARG 25 H ARG 25 8.085 -10.197 -0.367 161 HA ARG 25 HA ARG 25 10.444 -9.327 1.240 162 HB3 ARG 25 2HB ARG 25 11.265 -8.880 -1.299 163 HG3 ARG 25 2HG ARG 25 11.270 -11.644 0.039 164 HD3 ARG 25 2HD ARG 25 13.564 -11.793 -0.992 165 HE ARG 25 HE ARG 25 11.059 -12.151 -2.406 166 HH11 ARG 25 1HH1 ARG 25 14.564 -12.719 -2.587 167 HH12 ARG 25 2HH1 ARG 25 14.439 -14.033 -3.711 168 HH21 ARG 25 1HH2 ARG 25 10.980 -13.548 -4.262 169 HH22 ARG 25 2HH2 ARG 25 12.380 -14.405 -4.764 170 HA PRO 26 HA PRO 26 8.904 -5.248 0.617 171 HB3 PRO 26 2HB PRO 26 10.736 -4.259 1.523 172 HG3 PRO 26 2HG PRO 26 12.893 -5.243 1.278 173 HD3 PRO 26 2HD PRO 26 11.441 -6.991 1.994 174 H ARG 27 H ARG 27 10.779 -6.690 -2.095 175 HA ARG 27 HA ARG 27 9.610 -4.818 -3.965 176 HB3 ARG 27 2HB ARG 27 11.073 -7.367 -4.672 177 HG3 ARG 27 2HG ARG 27 10.444 -4.718 -6.028 178 HD3 ARG 27 2HD ARG 27 12.860 -4.949 -6.199 179 HE ARG 27 HE ARG 27 12.478 -7.661 -6.371 180 HH11 ARG 27 1HH1 ARG 27 13.717 -5.489 -8.922 181 HH12 ARG 27 2HH1 ARG 27 14.877 -6.628 -9.468 182 HH21 ARG 27 1HH2 ARG 27 13.805 -9.161 -7.213 183 HH22 ARG 27 2HH2 ARG 27 14.929 -8.823 -8.499 184 H ASP 28 H ASP 28 8.363 -7.800 -2.593 185 HA ASP 28 HA ASP 28 6.770 -8.613 -4.826 186 HB3 ASP 28 2HB ASP 28 5.085 -9.398 -3.058 187 H LEU 29 H LEU 29 6.397 -6.045 -2.461 188 HA LEU 29 HA LEU 29 3.585 -5.591 -2.872 189 HB3 LEU 29 2HB LEU 29 4.044 -3.452 -1.631 190 HG LEU 29 HG LEU 29 4.499 -4.267 0.495 191 HD11 LEU 29 1HD1 LEU 29 3.049 -6.179 0.744 192 HD12 LEU 29 2HD1 LEU 29 3.251 -6.632 -0.962 193 HD13 LEU 29 3HD1 LEU 29 2.398 -5.131 -0.528 194 HD21 LEU 29 3HD2 LEU 29 6.640 -5.457 -0.018 195 HD22 LEU 29 1HD2 LEU 29 5.686 -6.856 -0.551 196 HD23 LEU 29 2HD2 LEU 29 5.573 -6.301 1.119 197 H GLU 30 H GLU 30 6.557 -4.008 -4.191 198 HA GLU 30 HA GLU 30 4.913 -2.103 -5.654 199 HB3 GLU 30 2HB GLU 30 7.065 -1.288 -5.253 200 HG3 GLU 30 2HG GLU 30 8.233 -3.819 -6.471 201 H GLU 31 H GLU 31 6.469 -5.289 -6.291 202 HA GLU 31 HA GLU 31 5.880 -5.399 -9.026 203 HB3 GLU 31 2HB GLU 31 5.840 -7.998 -8.458 204 HG3 GLU 31 2HG GLU 31 8.361 -7.830 -7.926 205 H PHE 32 H PHE 32 3.800 -6.308 -6.270 206 HA PHE 32 HA PHE 32 1.665 -7.458 -7.778 207 HB3 PHE 32 2HB PHE 32 1.576 -5.860 -5.193 208 HD1 PHE 32 2HD PHE 32 -0.362 -7.838 -7.737 209 HD2 PHE 32 1HD PHE 32 -0.414 -6.133 -3.754 210 HE1 PHE 32 2HE PHE 32 -2.702 -8.132 -7.672 211 HE2 PHE 32 1HE PHE 32 -2.870 -6.463 -3.689 212 HZ PHE 32 HZ PHE 32 -4.062 -7.450 -5.666 213 H PHE 33 H PHE 33 2.135 -4.031 -6.689 214 HA PHE 33 HA PHE 33 -0.222 -3.260 -8.190 215 HB3 PHE 33 2HB PHE 33 0.349 -1.031 -7.448 216 HD1 PHE 33 1HD PHE 33 -1.601 -3.102 -6.603 217 HD2 PHE 33 2HD PHE 33 1.769 -1.487 -4.408 218 HE1 PHE 33 1HE PHE 33 -2.599 -3.860 -4.511 219 HE2 PHE 33 2HE PHE 33 0.840 -2.430 -2.344 220 HZ PHE 33 HZ PHE 33 -1.312 -3.661 -2.389 221 H SER 34 H SER 34 3.162 -3.364 -9.000 222 HA SER 34 HA SER 34 3.162 -1.611 -11.178 223 HB3 SER 34 2HB SER 34 4.854 -4.121 -11.006 224 HG SER 34 HG SER 34 5.399 -2.807 -12.716 225 H THR 35 H THR 35 1.358 -4.602 -10.969 226 HA THR 35 HA THR 35 1.642 -5.268 -13.773 227 HB THR 35 HB THR 35 -0.223 -6.718 -13.560 228 HG1 THR 35 1HG THR 35 -1.629 -5.398 -12.326 229 HG21 THR 35 3HG2 THR 35 0.382 -8.096 -11.621 230 HG22 THR 35 1HG2 THR 35 1.267 -6.741 -10.924 231 HG23 THR 35 2HG2 THR 35 1.844 -7.482 -12.435 232 H VAL 36 H VAL 36 -0.040 -2.749 -12.100 233 HA VAL 36 HA VAL 36 -1.624 -2.063 -14.528 234 HB VAL 36 HB VAL 36 -3.524 -1.614 -12.857 235 HG11 VAL 36 1HG1 VAL 36 -3.513 -3.410 -14.542 236 HG12 VAL 36 2HG1 VAL 36 -2.763 -4.507 -13.377 237 HG13 VAL 36 3HG1 VAL 36 -4.376 -3.848 -13.068 238 HG21 VAL 36 3HG2 VAL 36 -2.134 -1.893 -10.759 239 HG22 VAL 36 1HG2 VAL 36 -3.599 -2.859 -10.802 240 HG23 VAL 36 2HG2 VAL 36 -2.013 -3.638 -11.104 241 H GLY 37 H GLY 37 0.618 -0.861 -12.325 242 HA2 GLY 37 1HA GLY 37 0.643 1.516 -13.779 243 HA3 GLY 37 2HA GLY 37 -0.177 1.870 -12.248 244 H LYS 38 H LYS 38 2.538 2.664 -13.322 245 HA LYS 38 HA LYS 38 4.546 1.227 -11.943 246 HB3 LYS 38 2HB LYS 38 5.135 2.580 -13.814 247 HG3 LYS 38 2HG LYS 38 4.188 4.977 -12.195 248 HD3 LYS 38 2HD LYS 38 6.361 5.335 -13.465 249 HE3 LYS 38 2HE LYS 38 5.007 3.997 -15.532 250 HZ1 LYS 38 3HZ LYS 38 3.906 6.205 -16.007 251 HZ2 LYS 38 1HZ LYS 38 4.783 5.622 -17.256 252 HZ3 LYS 38 2HZ LYS 38 5.402 6.814 -16.288 253 H VAL 39 H VAL 39 5.752 1.662 -10.128 254 HA VAL 39 HA VAL 39 4.332 3.067 -7.914 255 HB VAL 39 HB VAL 39 6.297 0.739 -7.913 256 HG11 VAL 39 1HG1 VAL 39 6.445 1.987 -5.816 257 HG12 VAL 39 2HG1 VAL 39 4.675 2.009 -5.661 258 HG13 VAL 39 3HG1 VAL 39 5.579 0.482 -5.536 259 HG21 VAL 39 3HG2 VAL 39 4.179 -0.013 -8.853 260 HG22 VAL 39 1HG2 VAL 39 4.236 -0.562 -7.187 261 HG23 VAL 39 2HG2 VAL 39 3.255 0.864 -7.627 262 H ARG 40 H ARG 40 5.509 4.346 -6.477 263 HA ARG 40 HA ARG 40 7.764 5.731 -7.766 264 HB3 ARG 40 2HB ARG 40 6.259 6.445 -5.210 265 HG3 ARG 40 2HG ARG 40 8.439 7.678 -5.810 266 HD3 ARG 40 2HD ARG 40 6.534 8.896 -7.860 267 HE ARG 40 HE ARG 40 7.971 10.664 -7.492 268 HH11 ARG 40 1HH1 ARG 40 10.069 7.803 -7.513 269 HH12 ARG 40 2HH1 ARG 40 11.346 8.584 -8.367 270 HH21 ARG 40 1HH2 ARG 40 9.668 11.758 -8.223 271 HH22 ARG 40 2HH2 ARG 40 11.186 10.985 -8.659 272 H ASP 41 H ASP 41 6.892 4.137 -4.641 273 HA ASP 41 HA ASP 41 9.305 2.674 -4.554 274 HB3 ASP 41 2HB ASP 41 9.222 4.817 -2.390 275 H VAL 42 H VAL 42 9.481 1.477 -2.251 276 HA VAL 42 HA VAL 42 6.779 0.944 -1.222 277 HB VAL 42 HB VAL 42 7.825 -1.111 -0.454 278 HG11 VAL 42 1HG1 VAL 42 8.330 -0.646 -3.414 279 HG12 VAL 42 2HG1 VAL 42 8.136 -2.215 -2.631 280 HG13 VAL 42 3HG1 VAL 42 6.778 -1.101 -2.673 281 HG21 VAL 42 3HG2 VAL 42 10.044 -1.835 -1.050 282 HG22 VAL 42 1HG2 VAL 42 10.371 -0.306 -1.888 283 HG23 VAL 42 2HG2 VAL 42 10.164 -0.333 -0.131 284 H ARG 43 H ARG 43 6.618 0.527 1.151 285 HA ARG 43 HA ARG 43 8.790 1.602 2.816 286 HB3 ARG 43 2HB ARG 43 5.984 2.677 3.252 287 HG3 ARG 43 2HG ARG 43 8.832 3.445 3.876 288 HD3 ARG 43 2HD ARG 43 6.627 5.520 3.557 289 HE ARG 43 HE ARG 43 8.038 6.686 4.874 290 HH11 ARG 43 1HH1 ARG 43 10.022 4.891 2.575 291 HH12 ARG 43 2HH1 ARG 43 11.543 5.464 3.173 292 HH21 ARG 43 1HH2 ARG 43 10.046 7.684 5.517 293 HH22 ARG 43 2HH2 ARG 43 11.536 7.012 4.943 294 H MET 44 H MET 44 8.432 -0.917 2.611 295 HA MET 44 HA MET 44 6.398 -2.239 4.089 296 HB3 MET 44 2HB MET 44 8.958 -3.701 3.765 297 HG3 MET 44 2HG MET 44 7.559 -5.076 2.251 298 HE1 MET 44 3HE MET 44 8.207 -6.876 3.921 299 HE2 MET 44 1HE MET 44 8.741 -5.605 5.050 300 HE3 MET 44 2HE MET 44 7.686 -6.911 5.623 301 H ILE 45 H ILE 45 6.207 -2.457 6.317 302 HA ILE 45 HA ILE 45 8.198 -1.157 7.959 303 HB ILE 45 HB ILE 45 5.650 -2.593 8.879 304 HG13 ILE 45 2HG1 ILE 45 6.061 0.153 7.703 305 HG21 ILE 45 1HG2 ILE 45 5.824 -0.998 10.772 306 HG22 ILE 45 2HG2 ILE 45 7.256 -2.007 10.669 307 HG23 ILE 45 3HG2 ILE 45 7.313 -0.330 10.092 308 HD11 ILE 45 3HD1 ILE 45 4.498 -2.204 7.023 309 HD12 ILE 45 1HD1 ILE 45 3.440 -0.834 7.289 310 HD13 ILE 45 2HD1 ILE 45 4.754 -0.721 6.099 311 H SER 46 H SER 46 9.902 -2.158 9.016 312 HA SER 46 HA SER 46 10.053 -5.084 8.873 313 HB3 SER 46 2HB SER 46 12.143 -3.098 9.842 314 HG SER 46 HG SER 46 12.347 -5.395 10.235 315 H ASP 47 H ASP 47 8.487 -3.327 10.933 316 HA ASP 47 HA ASP 47 9.552 -4.404 13.496 317 HB3 ASP 47 2HB ASP 47 7.518 -3.011 14.393 318 H ARG 48 H ARG 48 8.657 -6.258 14.181 319 HA ARG 48 HA ARG 48 5.827 -6.817 13.442 320 HB3 ARG 48 2HB ARG 48 6.391 -9.228 13.272 321 HG3 ARG 48 2HG ARG 48 7.964 -7.612 11.234 322 HD3 ARG 48 2HD ARG 48 6.222 -10.072 10.850 323 HE ARG 48 HE ARG 48 6.708 -9.370 8.704 324 HH11 ARG 48 1HH1 ARG 48 9.770 -9.513 10.555 325 HH12 ARG 48 2HH1 ARG 48 10.741 -9.185 9.154 326 HH21 ARG 48 1HH2 ARG 48 8.006 -9.021 6.934 327 HH22 ARG 48 2HH2 ARG 48 9.765 -8.995 7.046 328 H ASN 49 H ASN 49 8.418 -8.300 15.442 329 HA ASN 49 HA ASN 49 8.364 -9.250 17.495 330 HB3 ASN 49 2HB ASN 49 7.206 -7.755 19.277 331 HD21 ASN 49 1HD2 ASN 49 9.867 -7.477 16.830 332 HD22 ASN 49 2HD2 ASN 49 10.992 -6.858 17.995 333 H SER 50 H SER 50 6.184 -9.864 15.689 334 HA SER 50 HA SER 50 4.166 -10.803 15.399 335 HB3 SER 50 2HB SER 50 4.050 -12.068 18.085 336 HG SER 50 HG SER 50 4.521 -13.799 16.253 337 H ARG 51 H ARG 51 4.273 -8.224 17.457 338 HA ARG 51 HA ARG 51 1.416 -8.444 18.260 339 HB3 ARG 51 2HB ARG 51 3.632 -7.871 20.222 340 HG3 ARG 51 2HG ARG 51 1.260 -9.448 21.025 341 HD3 ARG 51 2HD ARG 51 2.359 -6.736 21.886 342 HE ARG 51 HE ARG 51 -0.060 -7.709 22.567 343 HH11 ARG 51 1HH1 ARG 51 2.972 -7.561 24.384 344 HH12 ARG 51 2HH1 ARG 51 2.211 -7.420 25.929 345 HH21 ARG 51 1HH2 ARG 51 -1.079 -7.522 24.568 346 HH22 ARG 51 2HH2 ARG 51 -0.143 -7.320 26.035 347 H ARG 52 H ARG 52 2.461 -6.679 16.315 348 HA ARG 52 HA ARG 52 1.822 -4.078 17.662 349 HB3 ARG 52 2HB ARG 52 3.440 -3.029 16.024 350 HG3 ARG 52 2HG ARG 52 4.491 -4.863 18.223 351 HD3 ARG 52 2HD ARG 52 5.926 -2.898 16.431 352 HE ARG 52 HE ARG 52 7.270 -3.774 18.899 353 HH11 ARG 52 1HH1 ARG 52 5.663 -1.087 17.224 354 HH12 ARG 52 2HH1 ARG 52 6.075 0.076 18.424 355 HH21 ARG 52 1HH2 ARG 52 8.013 -2.314 20.281 356 HH22 ARG 52 2HH2 ARG 52 7.730 -0.599 20.142 357 H SER 53 H SER 53 1.457 -6.219 14.892 358 HA SER 53 HA SER 53 -0.500 -4.567 13.546 359 HB3 SER 53 2HB SER 53 1.287 -3.205 12.881 360 HG SER 53 HG SER 53 3.343 -3.867 12.551 361 H LYS 54 H LYS 54 2.074 -6.943 12.934 362 HA LYS 54 HA LYS 54 2.221 -8.860 11.778 363 HB3 LYS 54 2HB LYS 54 0.543 -10.528 12.048 364 HG3 LYS 54 2HG LYS 54 0.414 -8.881 14.598 365 HD3 LYS 54 2HD LYS 54 -0.773 -11.168 14.327 366 HE3 LYS 54 2HE LYS 54 2.092 -11.900 13.818 367 HZ1 LYS 54 3HZ LYS 54 0.338 -13.480 15.578 368 HZ2 LYS 54 1HZ LYS 54 1.900 -12.995 15.873 369 HZ3 LYS 54 2HZ LYS 54 1.615 -14.123 14.742 370 H GLY 55 H GLY 55 2.492 -7.572 9.845 371 HA2 GLY 55 1HA GLY 55 2.406 -8.441 7.639 372 HA3 GLY 55 2HA GLY 55 0.701 -8.867 7.852 373 H ILE 56 H ILE 56 2.789 -5.978 7.966 374 HA ILE 56 HA ILE 56 0.668 -4.393 6.639 375 HB ILE 56 HB ILE 56 1.753 -2.451 7.924 376 HG13 ILE 56 2HG1 ILE 56 3.746 -3.796 8.712 377 HG21 ILE 56 1HG2 ILE 56 0.193 -2.825 9.803 378 HG22 ILE 56 2HG2 ILE 56 -0.525 -3.492 8.343 379 HG23 ILE 56 3HG2 ILE 56 0.213 -4.583 9.515 380 HD11 ILE 56 3HD1 ILE 56 3.891 -2.677 10.877 381 HD12 ILE 56 1HD1 ILE 56 3.199 -1.580 9.667 382 HD13 ILE 56 2HD1 ILE 56 2.151 -2.334 10.858 383 H ALA 57 H ALA 57 1.285 -3.042 4.978 384 HA ALA 57 HA ALA 57 4.049 -2.237 4.723 385 HB1 ALA 57 1HB ALA 57 4.072 -2.519 2.224 386 HB2 ALA 57 2HB ALA 57 4.121 -4.077 3.078 387 HB3 ALA 57 3HB ALA 57 2.606 -3.481 2.328 388 H TYR 58 H TYR 58 4.153 -0.189 3.748 389 HA TYR 58 HA TYR 58 1.710 0.860 2.437 390 HB3 TYR 58 2HB TYR 58 2.427 3.097 3.123 391 HD1 TYR 58 1HD TYR 58 3.482 1.111 6.043 392 HD2 TYR 58 2HD TYR 58 0.251 3.194 4.168 393 HE1 TYR 58 1HE TYR 58 2.191 0.884 8.122 394 HE2 TYR 58 2HE TYR 58 -1.089 2.978 6.221 395 HH TYR 58 HH TYR 58 -0.737 2.762 8.601 396 H VAL 59 H VAL 59 2.333 2.102 0.550 397 HA VAL 59 HA VAL 59 4.979 2.093 -0.514 398 HB VAL 59 HB VAL 59 4.612 -0.165 -0.824 399 HG11 VAL 59 1HG1 VAL 59 2.232 -0.472 -0.344 400 HG12 VAL 59 2HG1 VAL 59 1.855 0.146 -1.991 401 HG13 VAL 59 3HG1 VAL 59 2.769 -1.347 -1.754 402 HG21 VAL 59 3HG2 VAL 59 4.337 -0.525 -3.292 403 HG22 VAL 59 1HG2 VAL 59 3.809 1.167 -3.426 404 HG23 VAL 59 2HG2 VAL 59 5.439 0.789 -2.893 405 H GLU 60 H GLU 60 5.048 3.460 -2.399 406 HA GLU 60 HA GLU 60 2.841 5.434 -2.316 407 HB3 GLU 60 2HB GLU 60 5.856 5.717 -2.704 408 HG3 GLU 60 2HG GLU 60 3.669 7.820 -2.475 409 H PHE 61 H PHE 61 1.697 5.569 -4.250 410 HA PHE 61 HA PHE 61 2.888 4.414 -6.688 411 HB3 PHE 61 2HB PHE 61 0.517 5.823 -7.349 412 HD1 PHE 61 2HD PHE 61 0.942 4.180 -9.146 413 HD2 PHE 61 1HD PHE 61 0.015 2.991 -5.116 414 HE1 PHE 61 2HE PHE 61 0.076 1.972 -9.991 415 HE2 PHE 61 1HE PHE 61 -0.970 0.837 -5.982 416 HZ PHE 61 HZ PHE 61 -0.948 0.387 -8.448 417 H VAL 62 H VAL 62 2.498 5.875 -8.784 418 HA VAL 62 HA VAL 62 4.103 8.308 -8.386 419 HB VAL 62 HB VAL 62 3.209 6.667 -10.801 420 HG11 VAL 62 3HG2 VAL 62 4.857 9.200 -10.723 421 HG12 VAL 62 1HG2 VAL 62 4.673 8.145 -12.144 422 HG13 VAL 62 2HG2 VAL 62 3.259 8.974 -11.499 423 HG21 VAL 62 1HG1 VAL 62 5.015 5.613 -9.519 424 HG22 VAL 62 2HG1 VAL 62 5.693 6.276 -11.015 425 HG23 VAL 62 3HG1 VAL 62 5.929 7.141 -9.491 426 H ASP 63 H ASP 63 0.843 7.174 -9.235 427 HA ASP 63 HA ASP 63 -0.072 9.944 -9.748 428 HB3 ASP 63 2HB ASP 63 -1.766 8.671 -11.068 429 H VAL 64 H VAL 64 -1.399 10.516 -8.331 430 HA VAL 64 HA VAL 64 -2.608 9.394 -6.100 431 HB VAL 64 HB VAL 64 -2.470 11.716 -6.466 432 HG11 VAL 64 1HG1 VAL 64 -4.634 11.533 -8.603 433 HG12 VAL 64 2HG1 VAL 64 -3.933 13.014 -7.918 434 HG13 VAL 64 3HG1 VAL 64 -2.921 11.947 -8.889 435 HG21 VAL 64 3HG2 VAL 64 -5.414 10.976 -6.235 436 HG22 VAL 64 1HG2 VAL 64 -4.211 10.830 -4.929 437 HG23 VAL 64 2HG2 VAL 64 -4.596 12.415 -5.603 438 H SER 65 H SER 65 -3.928 9.167 -9.534 439 HA SER 65 HA SER 65 -6.519 8.316 -8.753 440 HB3 SER 65 2HB SER 65 -6.719 7.668 -11.106 441 HG SER 65 HG SER 65 -5.866 9.608 -12.036 442 H SER 66 H SER 66 -3.524 6.607 -8.732 443 HA SER 66 HA SER 66 -4.622 3.960 -8.981 444 HB3 SER 66 2HB SER 66 -2.479 3.197 -8.672 445 HG SER 66 HG SER 66 -1.858 5.900 -9.277 446 H VAL 67 H VAL 67 -5.157 6.138 -6.382 447 HA VAL 67 HA VAL 67 -4.712 4.322 -4.180 448 HB VAL 67 HB VAL 67 -6.440 6.808 -4.395 449 HG11 VAL 67 1HG1 VAL 67 -6.514 6.686 -1.920 450 HG12 VAL 67 2HG1 VAL 67 -7.374 5.336 -2.651 451 HG13 VAL 67 3HG1 VAL 67 -5.746 5.082 -1.975 452 HG21 VAL 67 3HG2 VAL 67 -3.598 6.190 -3.663 453 HG22 VAL 67 1HG2 VAL 67 -4.277 7.631 -4.411 454 HG23 VAL 67 2HG2 VAL 67 -4.448 7.422 -2.690 455 HA PRO 68 HA PRO 68 -9.196 2.906 -4.717 456 HB3 PRO 68 2HB PRO 68 -10.689 4.404 -5.514 457 HG3 PRO 68 2HG PRO 68 -9.993 6.154 -6.970 458 HD3 PRO 68 2HD PRO 68 -8.473 6.143 -5.150 459 H LEU 69 H LEU 69 -6.799 2.905 -7.302 460 HA LEU 69 HA LEU 69 -7.654 0.520 -8.614 461 HB3 LEU 69 2HB LEU 69 -4.837 1.571 -8.199 462 HG LEU 69 HG LEU 69 -4.668 -0.706 -8.962 463 HD11 LEU 69 1HD1 LEU 69 -6.751 0.044 -11.040 464 HD12 LEU 69 2HD1 LEU 69 -6.839 -1.238 -9.796 465 HD13 LEU 69 3HD1 LEU 69 -5.702 -1.384 -11.144 466 HD21 LEU 69 3HD2 LEU 69 -3.553 -0.152 -11.144 467 HD22 LEU 69 1HD2 LEU 69 -3.215 1.048 -9.892 468 HD23 LEU 69 2HD2 LEU 69 -4.403 1.396 -11.165 469 H ALA 70 H ALA 70 -5.259 0.978 -5.937 470 HA ALA 70 HA ALA 70 -4.791 -1.746 -5.474 471 HB1 ALA 70 1HB ALA 70 -4.731 0.553 -3.468 472 HB2 ALA 70 2HB ALA 70 -3.926 -1.018 -3.283 473 HB3 ALA 70 3HB ALA 70 -3.403 0.092 -4.562 474 H ILE 71 H ILE 71 -7.316 0.367 -4.135 475 HA ILE 71 HA ILE 71 -8.468 -1.421 -2.252 476 HB ILE 71 HB ILE 71 -9.694 0.817 -3.918 477 HG13 ILE 71 2HG1 ILE 71 -7.819 1.512 -2.425 478 HG21 ILE 71 1HG2 ILE 71 -11.443 -0.755 -3.017 479 HG22 ILE 71 2HG2 ILE 71 -10.827 -0.401 -1.391 480 HG23 ILE 71 3HG2 ILE 71 -11.551 0.881 -2.377 481 HD11 ILE 71 3HD1 ILE 71 -8.869 3.284 -1.227 482 HD12 ILE 71 1HD1 ILE 71 -9.849 3.048 -2.681 483 HD13 ILE 71 2HD1 ILE 71 -10.403 2.408 -1.122 484 H GLY 72 H GLY 72 -9.166 -0.919 -5.748 485 HA2 GLY 72 1HA GLY 72 -11.249 -2.702 -6.049 486 HA3 GLY 72 2HA GLY 72 -10.090 -2.280 -7.301 487 H LEU 73 H LEU 73 -7.895 -3.519 -5.491 488 HA LEU 73 HA LEU 73 -8.242 -6.239 -6.635 489 HB3 LEU 73 2HB LEU 73 -5.875 -6.397 -6.577 490 HG LEU 73 HG LEU 73 -6.539 -3.589 -7.531 491 HD11 LEU 73 1HD1 LEU 73 -4.735 -3.972 -9.123 492 HD12 LEU 73 2HD1 LEU 73 -4.463 -5.593 -8.440 493 HD13 LEU 73 3HD1 LEU 73 -4.172 -4.143 -7.456 494 HD21 LEU 73 3HD2 LEU 73 -6.893 -6.189 -9.050 495 HD22 LEU 73 1HD2 LEU 73 -7.008 -4.556 -9.737 496 HD23 LEU 73 2HD2 LEU 73 -8.195 -5.089 -8.560 497 H THR 74 H THR 74 -9.151 -5.041 -3.776 498 HA THR 74 HA THR 74 -7.942 -6.438 -1.771 499 HB THR 74 HB THR 74 -9.697 -4.759 -1.462 500 HG1 THR 74 1HG THR 74 -9.018 -6.516 0.066 501 HG21 THR 74 3HG2 THR 74 -11.616 -7.034 -2.180 502 HG22 THR 74 1HG2 THR 74 -11.372 -5.533 -3.106 503 HG23 THR 74 2HG2 THR 74 -12.067 -5.476 -1.484 504 H GLY 75 H GLY 75 -9.775 -7.920 -4.304 505 HA2 GLY 75 1HA GLY 75 -10.232 -10.409 -2.779 506 HA3 GLY 75 2HA GLY 75 -10.884 -10.003 -4.358 507 H GLN 76 H GLN 76 -7.672 -9.237 -4.673 508 HA GLN 76 HA GLN 76 -7.025 -11.826 -5.948 509 HB3 GLN 76 2HB GLN 76 -5.019 -10.675 -6.704 510 HG3 GLN 76 2HG GLN 76 -7.386 -8.826 -7.135 511 HE21 GLN 76 1HE2 GLN 76 -7.673 -8.869 -9.666 512 HE22 GLN 76 2HE2 GLN 76 -6.267 -8.305 -10.544 513 H ARG 77 H ARG 77 -4.819 -12.717 -5.339 514 HA ARG 77 HA ARG 77 -3.942 -12.208 -2.623 515 HB3 ARG 77 2HB ARG 77 -5.735 -13.586 -1.913 516 HG3 ARG 77 2HG ARG 77 -5.123 -15.303 -4.331 517 HD3 ARG 77 2HD ARG 77 -6.123 -16.262 -1.637 518 HE ARG 77 HE ARG 77 -6.717 -17.362 -4.272 519 HH11 ARG 77 1HH1 ARG 77 -6.330 -18.112 -0.827 520 HH12 ARG 77 2HH1 ARG 77 -7.324 -19.504 -0.833 521 HH21 ARG 77 1HH2 ARG 77 -7.935 -19.395 -4.357 522 HH22 ARG 77 2HH2 ARG 77 -8.184 -20.305 -2.935 523 H VAL 78 H VAL 78 -2.267 -11.719 -4.027 524 HA VAL 78 HA VAL 78 -0.798 -13.450 -5.722 525 HB VAL 78 HB VAL 78 -0.032 -11.003 -4.066 526 HG11 VAL 78 1HG1 VAL 78 2.093 -10.795 -5.291 527 HG12 VAL 78 2HG1 VAL 78 2.104 -12.221 -4.283 528 HG13 VAL 78 3HG1 VAL 78 1.841 -12.398 -6.033 529 HG21 VAL 78 3HG2 VAL 78 -0.339 -11.505 -7.065 530 HG22 VAL 78 1HG2 VAL 78 -1.499 -10.652 -6.027 531 HG23 VAL 78 2HG2 VAL 78 0.103 -9.962 -6.313 532 H LEU 79 H LEU 79 -0.382 -15.525 -5.004 533 HA LEU 79 HA LEU 79 0.580 -17.207 -3.837 534 HB3 LEU 79 2HB LEU 79 2.773 -16.895 -2.920 535 HG LEU 79 HG LEU 79 2.434 -15.019 -5.301 536 HD11 LEU 79 1HD1 LEU 79 4.354 -14.319 -3.965 537 HD12 LEU 79 2HD1 LEU 79 4.859 -15.063 -5.486 538 HD13 LEU 79 3HD1 LEU 79 4.990 -15.974 -3.966 539 HD21 LEU 79 3HD2 LEU 79 1.972 -17.383 -5.796 540 HD22 LEU 79 1HD2 LEU 79 3.510 -17.863 -5.053 541 HD23 LEU 79 2HD2 LEU 79 3.500 -16.886 -6.533 542 H GLY 80 H GLY 80 -1.592 -15.677 -2.557 543 HA2 GLY 80 1HA GLY 80 -2.727 -15.986 -0.516 544 HA3 GLY 80 2HA GLY 80 -1.267 -16.688 0.192 545 H VAL 81 H VAL 81 -1.053 -13.576 -1.471 546 HA VAL 81 HA VAL 81 -1.146 -12.085 1.095 547 HB VAL 81 HB VAL 81 0.651 -11.543 -1.294 548 HG11 VAL 81 1HG1 VAL 81 -0.168 -9.627 0.344 549 HG12 VAL 81 2HG1 VAL 81 1.007 -10.370 1.442 550 HG13 VAL 81 3HG1 VAL 81 1.516 -9.766 -0.154 551 HG21 VAL 81 3HG2 VAL 81 1.468 -13.547 -0.190 552 HG22 VAL 81 1HG2 VAL 81 2.464 -12.206 0.380 553 HG23 VAL 81 2HG2 VAL 81 1.154 -12.844 1.409 554 HA PRO 82 HA PRO 82 -4.380 -10.160 -1.584 555 HB3 PRO 82 2HB PRO 82 -6.010 -11.596 -0.650 556 HG3 PRO 82 2HG PRO 82 -5.830 -12.355 1.581 557 HD3 PRO 82 2HD PRO 82 -3.857 -13.087 0.512 558 H ILE 83 H ILE 83 -5.923 -8.194 -0.515 559 HA ILE 83 HA ILE 83 -4.249 -6.509 1.206 560 HB ILE 83 HB ILE 83 -3.477 -5.860 -0.945 561 HG13 ILE 83 2HG1 ILE 83 -4.150 -4.129 0.847 562 HG21 ILE 83 1HG2 ILE 83 -4.776 -5.150 -2.829 563 HG22 ILE 83 2HG2 ILE 83 -5.464 -6.696 -2.348 564 HG23 ILE 83 3HG2 ILE 83 -6.277 -5.176 -1.915 565 HD11 ILE 83 3HD1 ILE 83 -3.774 -2.165 -0.609 566 HD12 ILE 83 1HD1 ILE 83 -2.592 -3.457 -0.774 567 HD13 ILE 83 2HD1 ILE 83 -3.844 -3.220 -2.032 568 H ILE 84 H ILE 84 -5.471 -4.878 2.303 569 HA ILE 84 HA ILE 84 -8.382 -5.417 2.491 570 HB ILE 84 HB ILE 84 -6.542 -3.704 4.229 571 HG13 ILE 84 2HG1 ILE 84 -6.706 -5.378 5.986 572 HG21 ILE 84 1HG2 ILE 84 -8.861 -2.916 4.326 573 HG22 ILE 84 2HG2 ILE 84 -9.435 -4.536 4.679 574 HG23 ILE 84 3HG2 ILE 84 -8.416 -3.678 5.854 575 HD11 ILE 84 3HD1 ILE 84 -8.721 -6.578 5.607 576 HD12 ILE 84 1HD1 ILE 84 -8.187 -7.118 3.999 577 HD13 ILE 84 2HD1 ILE 84 -7.373 -7.703 5.470 578 H VAL 85 H VAL 85 -9.773 -3.846 1.803 579 HA VAL 85 HA VAL 85 -9.235 -1.844 -0.036 580 HB VAL 85 HB VAL 85 -11.589 -1.287 0.393 581 HG11 VAL 85 1HG1 VAL 85 -12.605 -3.382 -0.083 582 HG12 VAL 85 2HG1 VAL 85 -11.055 -3.241 -0.927 583 HG13 VAL 85 3HG1 VAL 85 -11.194 -4.260 0.530 584 HG21 VAL 85 3HG2 VAL 85 -11.646 -1.383 2.887 585 HG22 VAL 85 1HG2 VAL 85 -12.889 -2.411 2.176 586 HG23 VAL 85 2HG2 VAL 85 -11.426 -3.148 2.824 587 H GLN 86 H GLN 86 -8.124 -1.552 2.991 588 HA GLN 86 HA GLN 86 -9.240 0.744 4.150 589 HB3 GLN 86 2HB GLN 86 -6.718 0.778 5.180 590 HG3 GLN 86 2HG GLN 86 -7.505 -1.273 6.599 591 HE21 GLN 86 1HE2 GLN 86 -6.737 0.847 7.650 592 HE22 GLN 86 2HE2 GLN 86 -7.943 1.942 8.253 593 H ALA 87 H ALA 87 -6.243 0.672 2.115 594 HA ALA 87 HA ALA 87 -5.022 2.275 1.234 595 HB1 ALA 87 1HB ALA 87 -5.990 4.277 0.437 596 HB2 ALA 87 2HB ALA 87 -7.294 3.089 0.398 597 HB3 ALA 87 3HB ALA 87 -7.231 4.290 1.698 598 H SER 88 H SER 88 -3.987 4.385 1.897 599 HA SER 88 HA SER 88 -4.061 4.771 4.854 600 HB3 SER 88 2HB SER 88 -1.642 5.795 3.387 601 HG SER 88 HG SER 88 -1.894 6.251 5.584 602 H GLN 89 H GLN 89 -5.108 6.649 5.308 603 HA GLN 89 HA GLN 89 -5.604 8.454 2.980 604 HB3 GLN 89 2HB GLN 89 -7.623 9.073 4.173 605 HG3 GLN 89 2HG GLN 89 -7.165 6.282 3.289 606 HE21 GLN 89 1HE2 GLN 89 -10.180 7.747 2.478 607 HE22 GLN 89 2HE2 GLN 89 -11.161 6.603 3.370 608 H ALA 90 H ALA 90 -5.372 10.535 3.143 609 HA ALA 90 HA ALA 90 -4.153 12.322 3.552 610 HB1 ALA 90 1HB ALA 90 -4.791 13.578 5.554 611 HB2 ALA 90 2HB ALA 90 -6.168 12.807 4.764 612 HB3 ALA 90 3HB ALA 90 -5.497 12.088 6.234 613 H GLU 91 H GLU 91 -2.986 13.188 6.131 614 HA GLU 91 HA GLU 91 -0.845 11.168 6.555 615 HB3 GLU 91 2HB GLU 91 -0.769 14.131 7.221 616 HG3 GLU 91 2HG GLU 91 1.403 12.013 6.857 617 H LYS 92 H LYS 92 -2.902 10.181 7.695 618 HA LYS 92 HA LYS 92 -2.736 11.119 10.502 619 HB3 LYS 92 2HB LYS 92 -4.934 11.000 11.007 620 HG3 LYS 92 2HG LYS 92 -5.777 11.666 8.257 621 HD3 LYS 92 2HD LYS 92 -6.111 13.270 10.800 622 HE3 LYS 92 2HE LYS 92 -7.982 12.750 8.445 623 HZ1 LYS 92 3HZ LYS 92 -8.252 14.527 10.794 624 HZ2 LYS 92 1HZ LYS 92 -9.107 13.150 10.538 625 HZ3 LYS 92 2HZ LYS 92 -9.323 14.450 9.558 626 H ASN 93 H ASN 93 -3.759 9.581 11.939 627 HA ASN 93 HA ASN 93 -3.581 7.996 13.238 628 HB3 ASN 93 2HB ASN 93 -3.343 5.935 11.044 629 HD21 ASN 93 1HD2 ASN 93 -2.832 3.867 12.020 630 HD22 ASN 93 2HD2 ASN 93 -2.820 3.672 13.759 631 H ARG 94 H ARG 94 -1.918 7.870 14.565 632 HA ARG 94 HA ARG 94 0.665 6.872 13.752 633 HB3 ARG 94 2HB ARG 94 0.998 9.244 13.468 634 HG3 ARG 94 2HG ARG 94 -0.863 9.932 15.306 635 HD3 ARG 94 2HD ARG 94 1.810 10.321 16.719 636 HE ARG 94 HE ARG 94 -0.955 11.173 17.441 637 HH11 ARG 94 1HH1 ARG 94 2.580 11.841 17.762 638 HH12 ARG 94 2HH1 ARG 94 2.314 13.403 18.458 639 HH21 ARG 94 1HH2 ARG 94 -1.194 13.220 18.560 640 HH22 ARG 94 2HH2 ARG 94 0.234 14.072 19.010 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -18.361 15.967 -11.162 2 HA2 GLY 1 1HA GLY 1 -19.429 16.536 -9.036 3 HA3 GLY 1 2HA GLY 1 -19.262 14.794 -9.228 4 H HIS 2 H HIS 2 -16.121 15.188 -8.688 5 HA HIS 2 HA HIS 2 -15.995 16.484 -6.190 6 HB3 HIS 2 2HB HIS 2 -14.843 13.965 -5.525 7 HD1 HIS 2 1HD HIS 2 -15.320 16.542 -3.816 8 HD2 HIS 2 2HD HIS 2 -17.908 13.218 -4.048 9 HE1 HIS 2 1HE HIS 2 -16.820 16.673 -1.779 10 H MET 3 H MET 3 -14.368 17.670 -6.883 11 HA MET 3 HA MET 3 -11.928 16.506 -8.061 12 HB3 MET 3 2HB MET 3 -13.796 18.522 -9.381 13 HG3 MET 3 2HG MET 3 -10.838 18.183 -9.792 14 HE1 MET 3 3HE MET 3 -13.106 20.619 -11.839 15 HE2 MET 3 1HE MET 3 -13.437 19.691 -13.318 16 HE3 MET 3 2HE MET 3 -14.160 19.188 -11.774 17 H ASN 4 H ASN 4 -11.317 16.922 -5.825 18 HA ASN 4 HA ASN 4 -10.597 19.722 -5.299 19 HB3 ASN 4 2HB ASN 4 -12.765 19.777 -4.410 20 HD21 ASN 4 1HD2 ASN 4 -11.302 17.235 -2.255 21 HD22 ASN 4 2HD2 ASN 4 -12.687 16.183 -2.355 22 H LEU 5 H LEU 5 -8.887 17.552 -5.872 23 HA LEU 5 HA LEU 5 -7.843 16.160 -3.724 24 HB3 LEU 5 2HB LEU 5 -6.088 17.294 -5.884 25 HG LEU 5 HG LEU 5 -5.263 15.611 -4.064 26 HD11 LEU 5 1HD1 LEU 5 -6.808 13.716 -5.886 27 HD12 LEU 5 2HD1 LEU 5 -7.164 14.031 -4.181 28 HD13 LEU 5 3HD1 LEU 5 -5.663 13.225 -4.630 29 HD21 LEU 5 3HD2 LEU 5 -4.884 15.017 -7.024 30 HD22 LEU 5 1HD2 LEU 5 -3.831 14.454 -5.708 31 HD23 LEU 5 2HD2 LEU 5 -3.951 16.180 -6.051 32 H THR 6 H THR 6 -6.213 16.569 -2.111 33 HA THR 6 HA THR 6 -5.552 19.441 -1.654 34 HB THR 6 HB THR 6 -6.181 18.667 0.386 35 HG1 THR 6 1HG THR 6 -4.298 18.534 1.607 36 HG21 THR 6 3HG2 THR 6 -6.492 16.270 0.011 37 HG22 THR 6 1HG2 THR 6 -5.562 16.562 1.478 38 HG23 THR 6 2HG2 THR 6 -4.718 16.043 0.011 39 HA PRO 7 HA PRO 7 -1.469 18.678 -3.432 40 HB3 PRO 7 2HB PRO 7 -0.827 20.862 -3.068 41 HG3 PRO 7 2HG PRO 7 -1.521 22.047 -1.136 42 HD3 PRO 7 2HD PRO 7 -3.520 21.186 -2.097 43 H GLU 8 H GLU 8 -2.184 18.187 0.017 44 HA GLU 8 HA GLU 8 0.091 16.761 0.839 45 HB3 GLU 8 2HB GLU 8 -1.437 15.768 2.540 46 HG3 GLU 8 2HG GLU 8 -1.721 18.750 1.999 47 H GLU 9 H GLU 9 -2.954 15.608 -0.642 48 HA GLU 9 HA GLU 9 -2.527 12.828 -0.661 49 HB3 GLU 9 2HB GLU 9 -3.978 13.176 -2.909 50 HG3 GLU 9 2HG GLU 9 -5.711 14.351 -1.016 51 H ARG 10 H ARG 10 -1.391 15.333 -2.879 52 HA ARG 10 HA ARG 10 -0.287 13.405 -4.761 53 HB3 ARG 10 2HB ARG 10 -0.042 16.431 -4.720 54 HG3 ARG 10 2HG ARG 10 0.507 14.321 -6.860 55 HD3 ARG 10 2HD ARG 10 0.926 16.807 -8.004 56 HE ARG 10 HE ARG 10 -0.490 14.639 -8.820 57 HH11 ARG 10 1HH1 ARG 10 -1.451 18.079 -8.700 58 HH12 ARG 10 2HH1 ARG 10 -2.430 17.903 -10.138 59 HH21 ARG 10 1HH2 ARG 10 -1.783 14.504 -10.607 60 HH22 ARG 10 2HH2 ARG 10 -2.692 15.846 -11.219 61 H ASP 11 H ASP 11 0.988 15.097 -2.024 62 HA ASP 11 HA ASP 11 3.794 14.339 -2.661 63 HB3 ASP 11 2HB ASP 11 2.837 15.346 0.028 64 H ALA 12 H ALA 12 1.037 13.227 -0.852 65 HA ALA 12 HA ALA 12 2.345 11.399 0.868 66 HB1 ALA 12 1HB ALA 12 0.184 12.463 1.336 67 HB2 ALA 12 2HB ALA 12 -0.586 11.444 0.093 68 HB3 ALA 12 3HB ALA 12 0.151 10.740 1.559 69 H ARG 13 H ARG 13 0.443 10.720 -2.073 70 HA ARG 13 HA ARG 13 0.509 9.130 -3.686 71 HB3 ARG 13 2HB ARG 13 2.971 8.472 -4.288 72 HG3 ARG 13 2HG ARG 13 2.167 11.364 -4.046 73 HD3 ARG 13 2HD ARG 13 4.145 9.885 -5.842 74 HE ARG 13 HE ARG 13 2.784 12.431 -6.233 75 HH11 ARG 13 1HH1 ARG 13 6.049 11.071 -6.613 76 HH12 ARG 13 2HH1 ARG 13 6.428 12.222 -7.830 77 HH21 ARG 13 1HH2 ARG 13 3.141 13.303 -8.442 78 HH22 ARG 13 2HH2 ARG 13 4.691 13.074 -9.162 79 H THR 14 H THR 14 0.627 7.790 -0.752 80 HA THR 14 HA THR 14 1.855 5.215 -1.671 81 HB THR 14 HB THR 14 1.642 6.568 1.004 82 HG1 THR 14 1HG THR 14 3.118 7.617 -0.201 83 HG21 THR 14 3HG2 THR 14 1.844 4.147 1.399 84 HG22 THR 14 1HG2 THR 14 3.258 5.065 1.926 85 HG23 THR 14 2HG2 THR 14 3.337 4.139 0.427 86 H VAL 15 H VAL 15 1.013 3.202 -0.653 87 HA VAL 15 HA VAL 15 -1.842 3.284 0.049 88 HB VAL 15 HB VAL 15 -2.166 1.276 -1.435 89 HG11 VAL 15 1HG1 VAL 15 -3.015 3.530 -2.015 90 HG12 VAL 15 2HG1 VAL 15 -1.480 3.909 -2.827 91 HG13 VAL 15 3HG1 VAL 15 -2.533 2.644 -3.468 92 HG21 VAL 15 3HG2 VAL 15 0.291 0.834 -1.897 93 HG22 VAL 15 1HG2 VAL 15 -0.724 0.853 -3.339 94 HG23 VAL 15 2HG2 VAL 15 0.310 2.244 -2.953 95 H PHE 16 H PHE 16 -2.331 0.873 0.983 96 HA PHE 16 HA PHE 16 -0.110 0.215 2.780 97 HB3 PHE 16 2HB PHE 16 -2.803 1.287 3.636 98 HD1 PHE 16 1HD PHE 16 0.260 -0.588 4.744 99 HD2 PHE 16 2HD PHE 16 -3.396 1.349 5.987 100 HE1 PHE 16 1HE PHE 16 0.320 -1.832 6.824 101 HE2 PHE 16 2HE PHE 16 -3.292 0.106 8.146 102 HZ PHE 16 HZ PHE 16 -1.458 -1.582 8.505 103 H CYS 17 H CYS 17 0.076 -1.857 2.628 104 HA CYS 17 HA CYS 17 -2.137 -3.734 2.130 105 HB3 CYS 17 2HB CYS 17 -0.342 -5.372 2.042 106 HG CYS 17 HG CYS 17 1.180 -2.791 0.735 107 H MET 18 H MET 18 -3.235 -4.509 3.941 108 HA MET 18 HA MET 18 -1.619 -4.917 6.379 109 HB3 MET 18 2HB MET 18 -4.421 -3.655 6.238 110 HG3 MET 18 2HG MET 18 -3.175 -2.900 8.657 111 HE1 MET 18 3HE MET 18 -5.470 -1.689 9.031 112 HE2 MET 18 1HE MET 18 -5.910 -2.258 7.409 113 HE3 MET 18 2HE MET 18 -7.037 -2.483 8.762 114 H GLN 19 H GLN 19 -2.458 -6.814 4.372 115 HA GLN 19 HA GLN 19 -3.897 -8.704 6.111 116 HB3 GLN 19 2HB GLN 19 -5.001 -8.175 3.318 117 HG3 GLN 19 2HG GLN 19 -6.078 -9.476 5.863 118 HE21 GLN 19 1HE2 GLN 19 -6.999 -8.260 2.556 119 HE22 GLN 19 2HE2 GLN 19 -8.665 -8.598 2.739 120 H LEU 20 H LEU 20 -1.257 -8.722 5.687 121 HA LEU 20 HA LEU 20 -0.589 -10.203 3.310 122 HB3 LEU 20 2HB LEU 20 1.704 -9.687 3.842 123 HG LEU 20 HG LEU 20 -0.051 -7.783 3.068 124 HD11 LEU 20 1HD1 LEU 20 0.940 -6.129 5.170 125 HD12 LEU 20 2HD1 LEU 20 -0.253 -7.350 5.644 126 HD13 LEU 20 3HD1 LEU 20 -0.605 -6.282 4.286 127 HD21 LEU 20 3HD2 LEU 20 2.748 -7.146 4.055 128 HD22 LEU 20 1HD2 LEU 20 1.853 -6.248 2.820 129 HD23 LEU 20 2HD2 LEU 20 2.403 -7.898 2.479 130 H ALA 21 H ALA 21 1.585 -11.496 3.945 131 HA ALA 21 HA ALA 21 0.657 -13.881 5.491 132 HB1 ALA 21 1HB ALA 21 2.182 -13.772 2.840 133 HB2 ALA 21 2HB ALA 21 1.837 -15.248 3.753 134 HB3 ALA 21 3HB ALA 21 0.502 -14.311 3.071 135 H ALA 22 H ALA 22 2.466 -15.248 6.221 136 HA ALA 22 HA ALA 22 4.537 -13.590 7.440 137 HB1 ALA 22 1HB ALA 22 4.061 -16.590 7.605 138 HB2 ALA 22 2HB ALA 22 5.234 -15.669 8.570 139 HB3 ALA 22 3HB ALA 22 3.515 -15.334 8.758 140 H ARG 23 H ARG 23 4.444 -15.147 4.410 141 HA ARG 23 HA ARG 23 7.384 -15.064 4.199 142 HB3 ARG 23 2HB ARG 23 7.255 -17.292 4.658 143 HG3 ARG 23 2HG ARG 23 5.787 -18.623 2.809 144 HD3 ARG 23 2HD ARG 23 4.619 -17.671 5.457 145 HE ARG 23 HE ARG 23 3.085 -19.052 4.112 146 HH11 ARG 23 1HH1 ARG 23 5.786 -20.841 5.626 147 HH12 ARG 23 2HH1 ARG 23 4.745 -22.149 6.135 148 HH21 ARG 23 1HH2 ARG 23 1.890 -20.962 4.445 149 HH22 ARG 23 2HH2 ARG 23 2.551 -22.320 5.234 150 H ILE 24 H ILE 24 6.240 -12.956 3.411 151 HA ILE 24 HA ILE 24 6.042 -13.186 0.465 152 HB ILE 24 HB ILE 24 3.961 -12.462 1.493 153 HG13 ILE 24 2HG1 ILE 24 4.948 -11.581 -0.695 154 HG21 ILE 24 1HG2 ILE 24 4.857 -11.347 3.551 155 HG22 ILE 24 2HG2 ILE 24 5.448 -10.023 2.529 156 HG23 ILE 24 3HG2 ILE 24 3.710 -10.336 2.665 157 HD11 ILE 24 3HD1 ILE 24 2.573 -11.356 -0.330 158 HD12 ILE 24 1HD1 ILE 24 2.843 -9.801 0.517 159 HD13 ILE 24 2HD1 ILE 24 3.261 -9.988 -1.202 160 H ARG 25 H ARG 25 7.518 -12.047 -0.702 161 HA ARG 25 HA ARG 25 9.758 -10.765 0.783 162 HB3 ARG 25 2HB ARG 25 10.453 -10.505 -1.856 163 HG3 ARG 25 2HG ARG 25 10.577 -13.025 -0.171 164 HD3 ARG 25 2HD ARG 25 12.748 -13.408 -1.407 165 HE ARG 25 HE ARG 25 10.784 -13.563 -3.544 166 HH11 ARG 25 1HH1 ARG 25 11.511 -14.950 -0.340 167 HH12 ARG 25 2HH1 ARG 25 10.685 -16.412 -0.655 168 HH21 ARG 25 1HH2 ARG 25 9.978 -15.680 -4.052 169 HH22 ARG 25 2HH2 ARG 25 9.971 -16.912 -2.840 170 HA PRO 26 HA PRO 26 8.439 -6.583 -0.098 171 HB3 PRO 26 2HB PRO 26 10.435 -5.644 0.550 172 HG3 PRO 26 2HG PRO 26 12.481 -6.806 0.226 173 HD3 PRO 26 2HD PRO 26 11.052 -8.409 1.196 174 H ARG 27 H ARG 27 10.457 -8.050 -2.691 175 HA ARG 27 HA ARG 27 9.265 -6.622 -4.780 176 HB3 ARG 27 2HB ARG 27 10.681 -9.300 -4.941 177 HG3 ARG 27 2HG ARG 27 10.045 -7.163 -6.974 178 HD3 ARG 27 2HD ARG 27 11.862 -8.000 -8.410 179 HE ARG 27 HE ARG 27 12.126 -5.903 -7.049 180 HH11 ARG 27 1HH1 ARG 27 14.429 -8.619 -6.897 181 HH12 ARG 27 2HH1 ARG 27 15.696 -7.685 -6.200 182 HH21 ARG 27 1HH2 ARG 27 13.934 -4.594 -6.485 183 HH22 ARG 27 2HH2 ARG 27 15.495 -5.293 -6.225 184 H ASP 28 H ASP 28 7.827 -9.271 -3.010 185 HA ASP 28 HA ASP 28 6.306 -10.388 -5.190 186 HB3 ASP 28 2HB ASP 28 4.691 -10.962 -3.221 187 H LEU 29 H LEU 29 6.007 -7.568 -3.080 188 HA LEU 29 HA LEU 29 3.238 -7.042 -3.885 189 HB3 LEU 29 2HB LEU 29 3.568 -4.904 -2.621 190 HG LEU 29 HG LEU 29 3.549 -5.631 -0.422 191 HD11 LEU 29 1HD1 LEU 29 1.633 -6.426 -1.801 192 HD12 LEU 29 2HD1 LEU 29 1.954 -7.451 -0.389 193 HD13 LEU 29 3HD1 LEU 29 2.451 -7.988 -2.006 194 HD21 LEU 29 3HD2 LEU 29 5.660 -6.899 -0.404 195 HD22 LEU 29 1HD2 LEU 29 4.865 -8.247 -1.224 196 HD23 LEU 29 2HD2 LEU 29 4.316 -7.784 0.385 197 H GLU 30 H GLU 30 6.536 -5.650 -4.641 198 HA GLU 30 HA GLU 30 5.440 -3.492 -6.127 199 HB3 GLU 30 2HB GLU 30 7.776 -3.754 -5.167 200 HG3 GLU 30 2HG GLU 30 8.334 -4.849 -7.942 201 H GLU 31 H GLU 31 6.191 -6.834 -6.997 202 HA GLU 31 HA GLU 31 5.495 -6.565 -9.780 203 HB3 GLU 31 2HB GLU 31 5.489 -9.060 -9.638 204 HG3 GLU 31 2HG GLU 31 7.952 -7.666 -8.531 205 H PHE 32 H PHE 32 3.514 -6.666 -6.954 206 HA PHE 32 HA PHE 32 1.218 -7.932 -8.294 207 HB3 PHE 32 2HB PHE 32 1.277 -6.198 -5.793 208 HD1 PHE 32 1HD PHE 32 -0.725 -8.577 -7.971 209 HD2 PHE 32 2HD PHE 32 -0.799 -5.757 -4.669 210 HE1 PHE 32 1HE PHE 32 -3.128 -8.648 -7.972 211 HE2 PHE 32 2HE PHE 32 -3.249 -5.878 -4.659 212 HZ PHE 32 HZ PHE 32 -4.443 -7.302 -6.271 213 H PHE 33 H PHE 33 1.931 -4.557 -7.191 214 HA PHE 33 HA PHE 33 -0.181 -3.565 -8.897 215 HB3 PHE 33 2HB PHE 33 0.525 -1.347 -8.222 216 HD1 PHE 33 1HD PHE 33 -1.714 -2.923 -7.311 217 HD2 PHE 33 2HD PHE 33 1.821 -1.713 -5.163 218 HE1 PHE 33 1HE PHE 33 -2.867 -3.314 -5.170 219 HE2 PHE 33 2HE PHE 33 0.688 -2.141 -3.030 220 HZ PHE 33 HZ PHE 33 -1.668 -2.995 -3.028 221 H SER 34 H SER 34 3.139 -4.325 -9.597 222 HA SER 34 HA SER 34 3.705 -2.903 -11.928 223 HB3 SER 34 2HB SER 34 4.061 -5.830 -11.258 224 HG SER 34 HG SER 34 5.995 -4.725 -12.820 225 H THR 35 H THR 35 1.075 -5.258 -11.401 226 HA THR 35 HA THR 35 0.761 -5.890 -14.154 227 HB THR 35 HB THR 35 0.035 -7.139 -12.045 228 HG1 THR 35 1HG THR 35 -2.022 -7.705 -13.332 229 HG21 THR 35 3HG2 THR 35 -1.407 -5.188 -11.174 230 HG22 THR 35 1HG2 THR 35 -2.116 -6.812 -11.141 231 HG23 THR 35 2HG2 THR 35 -2.587 -5.663 -12.406 232 H VAL 36 H VAL 36 -0.121 -2.985 -12.377 233 HA VAL 36 HA VAL 36 -1.563 -2.000 -14.776 234 HB VAL 36 HB VAL 36 -3.129 -0.797 -13.167 235 HG11 VAL 36 1HG1 VAL 36 -3.885 -2.685 -14.527 236 HG12 VAL 36 2HG1 VAL 36 -3.382 -3.816 -13.262 237 HG13 VAL 36 3HG1 VAL 36 -4.678 -2.655 -12.945 238 HG21 VAL 36 3HG2 VAL 36 -1.859 -1.153 -11.056 239 HG22 VAL 36 1HG2 VAL 36 -3.514 -1.762 -10.946 240 HG23 VAL 36 2HG2 VAL 36 -2.183 -2.897 -11.155 241 H GLY 37 H GLY 37 0.765 -1.373 -12.400 242 HA2 GLY 37 1HA GLY 37 1.124 1.407 -13.281 243 HA3 GLY 37 2HA GLY 37 0.644 1.147 -11.610 244 H LYS 38 H LYS 38 2.876 2.374 -11.599 245 HA LYS 38 HA LYS 38 5.069 0.369 -11.512 246 HB3 LYS 38 2HB LYS 38 5.394 1.733 -13.453 247 HG3 LYS 38 2HG LYS 38 5.303 4.127 -11.575 248 HD3 LYS 38 2HD LYS 38 7.037 4.157 -13.376 249 HE3 LYS 38 2HE LYS 38 4.458 4.009 -14.992 250 HZ1 LYS 38 3HZ LYS 38 6.957 5.267 -15.936 251 HZ2 LYS 38 1HZ LYS 38 5.458 5.980 -15.821 252 HZ3 LYS 38 2HZ LYS 38 5.744 4.747 -16.896 253 H VAL 39 H VAL 39 6.288 0.373 -9.807 254 HA VAL 39 HA VAL 39 5.219 1.831 -7.432 255 HB VAL 39 HB VAL 39 6.611 -0.846 -7.826 256 HG11 VAL 39 1HG1 VAL 39 6.146 0.643 -5.207 257 HG12 VAL 39 2HG1 VAL 39 6.493 -1.109 -5.336 258 HG13 VAL 39 3HG1 VAL 39 7.691 0.072 -5.863 259 HG21 VAL 39 3HG2 VAL 39 4.124 -0.662 -8.132 260 HG22 VAL 39 1HG2 VAL 39 4.548 -1.666 -6.749 261 HG23 VAL 39 2HG2 VAL 39 4.003 -0.006 -6.478 262 H ARG 40 H ARG 40 6.527 3.146 -6.218 263 HA ARG 40 HA ARG 40 9.093 3.928 -7.425 264 HB3 ARG 40 2HB ARG 40 7.852 4.894 -4.802 265 HG3 ARG 40 2HG ARG 40 10.302 5.389 -5.559 266 HD3 ARG 40 2HD ARG 40 8.534 7.356 -7.124 267 HE ARG 40 HE ARG 40 11.325 7.614 -6.273 268 HH11 ARG 40 1HH1 ARG 40 8.740 8.868 -8.387 269 HH12 ARG 40 2HH1 ARG 40 9.559 10.333 -8.799 270 HH21 ARG 40 1HH2 ARG 40 12.300 9.677 -6.635 271 HH22 ARG 40 2HH2 ARG 40 11.650 10.768 -7.827 272 H ASP 41 H ASP 41 7.860 2.787 -4.219 273 HA ASP 41 HA ASP 41 10.400 1.453 -3.551 274 HB3 ASP 41 2HB ASP 41 10.417 3.108 -1.541 275 H VAL 42 H VAL 42 10.032 0.290 -1.312 276 HA VAL 42 HA VAL 42 7.220 0.001 -0.584 277 HB VAL 42 HB VAL 42 7.869 -2.376 -0.355 278 HG11 VAL 42 1HG1 VAL 42 6.561 -1.553 -2.324 279 HG12 VAL 42 2HG1 VAL 42 8.076 -1.429 -3.239 280 HG13 VAL 42 3HG1 VAL 42 7.503 -3.013 -2.676 281 HG21 VAL 42 3HG2 VAL 42 10.283 -2.330 -0.336 282 HG22 VAL 42 1HG2 VAL 42 9.701 -3.352 -1.656 283 HG23 VAL 42 2HG2 VAL 42 10.321 -1.743 -2.023 284 H ARG 43 H ARG 43 6.893 -0.407 1.611 285 HA ARG 43 HA ARG 43 9.202 -0.116 3.468 286 HB3 ARG 43 2HB ARG 43 7.188 1.187 4.745 287 HG3 ARG 43 2HG ARG 43 9.012 2.356 2.640 288 HD3 ARG 43 2HD ARG 43 7.211 3.951 2.760 289 HE ARG 43 HE ARG 43 6.816 3.121 5.386 290 HH11 ARG 43 1HH1 ARG 43 7.007 6.399 3.852 291 HH12 ARG 43 2HH1 ARG 43 6.071 7.080 5.131 292 HH21 ARG 43 1HH2 ARG 43 5.343 4.015 6.689 293 HH22 ARG 43 2HH2 ARG 43 4.802 5.668 6.514 294 H MET 44 H MET 44 9.051 -1.539 5.259 295 HA MET 44 HA MET 44 6.544 -3.114 5.653 296 HB3 MET 44 2HB MET 44 7.910 -5.125 5.852 297 HG3 MET 44 2HG MET 44 8.532 -3.718 3.223 298 HE1 MET 44 3HE MET 44 7.231 -7.115 4.525 299 HE2 MET 44 1HE MET 44 8.367 -8.312 3.860 300 HE3 MET 44 2HE MET 44 8.841 -7.278 5.228 301 H ILE 45 H ILE 45 5.984 -3.076 7.836 302 HA ILE 45 HA ILE 45 8.119 -2.115 9.700 303 HB ILE 45 HB ILE 45 5.231 -1.630 10.322 304 HG13 ILE 45 2HG1 ILE 45 6.797 -0.142 8.198 305 HG21 ILE 45 1HG2 ILE 45 6.187 0.374 11.418 306 HG22 ILE 45 2HG2 ILE 45 6.958 -1.081 12.012 307 HG23 ILE 45 3HG2 ILE 45 7.798 -0.063 10.825 308 HD11 ILE 45 3HD1 ILE 45 4.979 -1.424 7.273 309 HD12 ILE 45 1HD1 ILE 45 3.894 -0.988 8.618 310 HD13 ILE 45 2HD1 ILE 45 4.404 0.235 7.456 311 H SER 46 H SER 46 8.163 -2.935 11.868 312 HA SER 46 HA SER 46 6.281 -5.136 12.445 313 HB3 SER 46 2HB SER 46 8.185 -6.474 13.322 314 HG SER 46 HG SER 46 8.696 -5.715 10.643 315 H ASP 47 H ASP 47 6.960 -2.316 13.620 316 HA ASP 47 HA ASP 47 6.486 -1.201 15.540 317 HB3 ASP 47 2HB ASP 47 5.859 -3.910 16.768 318 H ARG 48 H ARG 48 7.966 -4.175 16.486 319 HA ARG 48 HA ARG 48 10.629 -3.298 16.018 320 HB3 ARG 48 2HB ARG 48 11.212 -4.173 18.527 321 HG3 ARG 48 2HG ARG 48 11.431 -1.665 17.170 322 HD3 ARG 48 2HD ARG 48 10.577 -1.434 20.073 323 HE ARG 48 HE ARG 48 12.215 0.161 20.083 324 HH11 ARG 48 1HH1 ARG 48 10.550 0.484 16.952 325 HH12 ARG 48 2HH1 ARG 48 11.424 1.920 16.530 326 HH21 ARG 48 1HH2 ARG 48 13.269 1.977 19.567 327 HH22 ARG 48 2HH2 ARG 48 12.883 2.898 18.121 328 H ASN 49 H ASN 49 8.400 -5.553 17.489 329 HA ASN 49 HA ASN 49 9.730 -7.716 18.166 330 HB3 ASN 49 2HB ASN 49 7.588 -8.860 16.695 331 HD21 ASN 49 1HD2 ASN 49 6.040 -7.160 19.140 332 HD22 ASN 49 2HD2 ASN 49 6.498 -8.179 20.497 333 H SER 50 H SER 50 9.453 -6.818 14.793 334 HA SER 50 HA SER 50 10.347 -7.607 12.878 335 HB3 SER 50 2HB SER 50 12.518 -9.153 13.991 336 HG SER 50 HG SER 50 13.671 -7.395 13.327 337 H ARG 51 H ARG 51 9.234 -9.959 15.019 338 HA ARG 51 HA ARG 51 9.364 -12.217 13.128 339 HB3 ARG 51 2HB ARG 51 9.221 -12.412 16.147 340 HG3 ARG 51 2HG ARG 51 11.007 -13.758 14.089 341 HD3 ARG 51 2HD ARG 51 11.427 -13.644 16.778 342 HE ARG 51 HE ARG 51 10.319 -16.356 16.489 343 HH11 ARG 51 1HH1 ARG 51 10.122 -13.283 18.267 344 HH12 ARG 51 2HH1 ARG 51 8.870 -13.852 19.307 345 HH21 ARG 51 1HH2 ARG 51 8.769 -17.088 17.921 346 HH22 ARG 51 2HH2 ARG 51 7.974 -15.998 19.028 347 H ARG 52 H ARG 52 7.227 -10.442 12.986 348 HA ARG 52 HA ARG 52 4.834 -11.911 13.709 349 HB3 ARG 52 2HB ARG 52 3.809 -9.959 14.947 350 HG3 ARG 52 2HG ARG 52 6.172 -11.055 16.517 351 HD3 ARG 52 2HD ARG 52 3.504 -9.814 17.239 352 HE ARG 52 HE ARG 52 5.483 -11.208 19.001 353 HH11 ARG 52 1HH1 ARG 52 2.279 -9.652 18.705 354 HH12 ARG 52 2HH1 ARG 52 1.657 -10.380 20.135 355 HH21 ARG 52 1HH2 ARG 52 4.622 -12.250 20.825 356 HH22 ARG 52 2HH2 ARG 52 3.012 -11.923 21.353 357 H SER 53 H SER 53 6.161 -8.743 12.958 358 HA SER 53 HA SER 53 5.448 -6.896 12.212 359 HB3 SER 53 2HB SER 53 6.152 -7.425 10.115 360 HG SER 53 HG SER 53 4.620 -8.508 8.651 361 H LYS 54 H LYS 54 2.817 -9.061 12.661 362 HA LYS 54 HA LYS 54 0.722 -9.023 12.552 363 HB3 LYS 54 2HB LYS 54 0.242 -7.750 14.297 364 HG3 LYS 54 2HG LYS 54 0.688 -5.338 12.518 365 HD3 LYS 54 2HD LYS 54 -1.094 -5.191 14.479 366 HE3 LYS 54 2HE LYS 54 0.419 -6.188 16.220 367 HZ1 LYS 54 3HZ LYS 54 2.553 -5.321 15.670 368 HZ2 LYS 54 1HZ LYS 54 2.125 -4.633 17.095 369 HZ3 LYS 54 2HZ LYS 54 2.037 -3.766 15.686 370 H GLY 55 H GLY 55 2.519 -8.561 10.229 371 HA2 GLY 55 1HA GLY 55 2.392 -8.438 7.985 372 HA3 GLY 55 2HA GLY 55 0.681 -8.766 8.163 373 H ILE 56 H ILE 56 3.089 -6.240 7.810 374 HA ILE 56 HA ILE 56 1.046 -4.400 6.784 375 HB ILE 56 HB ILE 56 1.943 -2.506 8.226 376 HG13 ILE 56 2HG1 ILE 56 3.910 -3.439 9.174 377 HG21 ILE 56 1HG2 ILE 56 -0.313 -3.702 8.353 378 HG22 ILE 56 2HG2 ILE 56 0.340 -4.600 9.733 379 HG23 ILE 56 3HG2 ILE 56 0.201 -2.832 9.816 380 HD11 ILE 56 3HD1 ILE 56 2.713 -1.914 10.734 381 HD12 ILE 56 1HD1 ILE 56 1.923 -3.336 11.468 382 HD13 ILE 56 2HD1 ILE 56 3.685 -3.169 11.547 383 H ALA 57 H ALA 57 1.730 -3.548 4.968 384 HA ALA 57 HA ALA 57 4.475 -2.554 4.855 385 HB1 ALA 57 1HB ALA 57 4.657 -4.757 3.692 386 HB2 ALA 57 2HB ALA 57 3.284 -4.319 2.637 387 HB3 ALA 57 3HB ALA 57 4.793 -3.417 2.523 388 H TYR 58 H TYR 58 4.539 -0.677 3.690 389 HA TYR 58 HA TYR 58 2.026 0.375 2.370 390 HB3 TYR 58 2HB TYR 58 3.127 2.605 2.674 391 HD1 TYR 58 1HD TYR 58 3.397 0.413 5.682 392 HD2 TYR 58 2HD TYR 58 1.279 3.605 3.777 393 HE1 TYR 58 1HE TYR 58 1.989 0.603 7.672 394 HE2 TYR 58 2HE TYR 58 -0.191 3.829 5.772 395 HH TYR 58 HH TYR 58 -0.834 1.834 7.840 396 H VAL 59 H VAL 59 2.422 1.373 0.365 397 HA VAL 59 HA VAL 59 5.006 0.684 -0.952 398 HB VAL 59 HB VAL 59 2.220 0.099 -1.978 399 HG11 VAL 59 1HG1 VAL 59 3.219 -0.557 -4.035 400 HG12 VAL 59 2HG1 VAL 59 3.791 1.050 -3.715 401 HG13 VAL 59 3HG1 VAL 59 4.865 -0.326 -3.395 402 HG21 VAL 59 3HG2 VAL 59 4.498 -1.791 -1.273 403 HG22 VAL 59 1HG2 VAL 59 2.983 -1.618 -0.379 404 HG23 VAL 59 2HG2 VAL 59 2.951 -2.253 -2.020 405 H GLU 60 H GLU 60 5.845 2.435 -1.696 406 HA GLU 60 HA GLU 60 4.331 4.948 -1.781 407 HB3 GLU 60 2HB GLU 60 6.697 5.828 -2.167 408 HG3 GLU 60 2HG GLU 60 5.961 4.177 0.265 409 H PHE 61 H PHE 61 3.221 5.203 -3.677 410 HA PHE 61 HA PHE 61 4.202 3.797 -6.074 411 HB3 PHE 61 2HB PHE 61 1.920 5.627 -6.394 412 HD1 PHE 61 2HD PHE 61 2.239 1.995 -5.643 413 HD2 PHE 61 1HD PHE 61 1.703 4.952 -8.741 414 HE1 PHE 61 2HE PHE 61 1.794 0.220 -7.264 415 HE2 PHE 61 1HE PHE 61 1.272 3.135 -10.384 416 HZ PHE 61 HZ PHE 61 1.272 0.740 -9.611 417 H VAL 62 H VAL 62 4.380 4.959 -8.157 418 HA VAL 62 HA VAL 62 6.023 7.331 -7.871 419 HB VAL 62 HB VAL 62 4.919 5.837 -10.276 420 HG11 VAL 62 1HG1 VAL 62 7.017 8.031 -10.168 421 HG12 VAL 62 2HG1 VAL 62 6.789 6.945 -11.561 422 HG13 VAL 62 3HG1 VAL 62 5.484 8.030 -11.057 423 HG21 VAL 62 3HG2 VAL 62 6.454 4.446 -8.917 424 HG22 VAL 62 1HG2 VAL 62 7.244 4.892 -10.421 425 HG23 VAL 62 2HG2 VAL 62 7.664 5.734 -8.925 426 H ASP 63 H ASP 63 2.544 6.967 -7.990 427 HA ASP 63 HA ASP 63 2.370 9.819 -8.517 428 HB3 ASP 63 2HB ASP 63 0.474 8.086 -10.116 429 H VAL 64 H VAL 64 0.054 10.596 -8.052 430 HA VAL 64 HA VAL 64 -1.036 9.224 -5.697 431 HB VAL 64 HB VAL 64 -0.598 11.545 -5.537 432 HG11 VAL 64 1HG1 VAL 64 -0.714 12.337 -7.839 433 HG12 VAL 64 2HG1 VAL 64 -2.464 12.022 -7.894 434 HG13 VAL 64 3HG1 VAL 64 -1.819 13.284 -6.838 435 HG21 VAL 64 3HG2 VAL 64 -2.722 12.422 -4.755 436 HG22 VAL 64 1HG2 VAL 64 -3.619 11.222 -5.686 437 HG23 VAL 64 2HG2 VAL 64 -2.594 10.710 -4.330 438 H SER 65 H SER 65 -1.718 9.628 -9.152 439 HA SER 65 HA SER 65 -4.486 9.190 -9.102 440 HB3 SER 65 2HB SER 65 -2.505 8.168 -11.165 441 HG SER 65 HG SER 65 -5.223 9.019 -11.267 442 H SER 66 H SER 66 -1.855 6.821 -8.569 443 HA SER 66 HA SER 66 -3.658 4.560 -8.829 444 HB3 SER 66 2HB SER 66 -1.739 3.238 -8.371 445 HG SER 66 HG SER 66 -0.326 4.031 -9.879 446 H VAL 67 H VAL 67 -3.314 6.791 -6.235 447 HA VAL 67 HA VAL 67 -3.300 5.050 -4.009 448 HB VAL 67 HB VAL 67 -4.439 7.831 -4.427 449 HG11 VAL 67 1HG1 VAL 67 -4.375 6.185 -1.880 450 HG12 VAL 67 2HG1 VAL 67 -4.642 7.952 -1.949 451 HG13 VAL 67 3HG1 VAL 67 -5.809 6.859 -2.676 452 HG21 VAL 67 3HG2 VAL 67 -2.548 8.483 -2.987 453 HG22 VAL 67 1HG2 VAL 67 -2.009 6.788 -2.907 454 HG23 VAL 67 2HG2 VAL 67 -1.996 7.667 -4.448 455 HA PRO 68 HA PRO 68 -8.036 4.653 -4.420 456 HB3 PRO 68 2HB PRO 68 -9.117 6.419 -5.388 457 HG3 PRO 68 2HG PRO 68 -8.058 7.743 -7.060 458 HD3 PRO 68 2HD PRO 68 -6.595 7.601 -5.191 459 H LEU 69 H LEU 69 -5.737 3.924 -7.024 460 HA LEU 69 HA LEU 69 -7.324 1.947 -8.320 461 HB3 LEU 69 2HB LEU 69 -4.297 2.199 -8.163 462 HG LEU 69 HG LEU 69 -4.847 0.011 -9.034 463 HD11 LEU 69 1HD1 LEU 69 -6.728 1.467 -10.936 464 HD12 LEU 69 2HD1 LEU 69 -7.159 0.247 -9.714 465 HD13 LEU 69 3HD1 LEU 69 -6.204 -0.219 -11.125 466 HD21 LEU 69 3HD2 LEU 69 -2.987 1.092 -10.019 467 HD22 LEU 69 1HD2 LEU 69 -3.995 2.172 -10.987 468 HD23 LEU 69 2HD2 LEU 69 -3.921 0.465 -11.399 469 H ALA 70 H ALA 70 -4.732 1.693 -5.833 470 HA ALA 70 HA ALA 70 -4.886 -1.139 -5.605 471 HB1 ALA 70 1HB ALA 70 -3.628 -0.871 -3.527 472 HB2 ALA 70 2HB ALA 70 -2.983 0.208 -4.773 473 HB3 ALA 70 3HB ALA 70 -4.022 0.860 -3.479 474 H ILE 71 H ILE 71 -6.781 1.413 -4.027 475 HA ILE 71 HA ILE 71 -8.043 -0.177 -2.019 476 HB ILE 71 HB ILE 71 -8.978 2.303 -3.522 477 HG13 ILE 71 2HG1 ILE 71 -6.849 2.523 -2.182 478 HG21 ILE 71 1HG2 ILE 71 -10.591 2.643 -1.667 479 HG22 ILE 71 2HG2 ILE 71 -10.934 1.165 -2.541 480 HG23 ILE 71 3HG2 ILE 71 -10.104 1.085 -0.976 481 HD11 ILE 71 3HD1 ILE 71 -7.375 4.558 -1.167 482 HD12 ILE 71 1HD1 ILE 71 -8.603 4.376 -2.429 483 HD13 ILE 71 2HD1 ILE 71 -9.016 4.042 -0.733 484 H GLY 72 H GLY 72 -8.855 0.433 -5.470 485 HA2 GLY 72 1HA GLY 72 -11.260 -0.980 -5.593 486 HA3 GLY 72 2HA GLY 72 -10.108 -0.793 -6.914 487 H LEU 73 H LEU 73 -7.938 -2.188 -5.421 488 HA LEU 73 HA LEU 73 -8.664 -4.877 -6.304 489 HB3 LEU 73 2HB LEU 73 -6.341 -5.378 -6.221 490 HG LEU 73 HG LEU 73 -6.394 -2.491 -7.141 491 HD11 LEU 73 1HD1 LEU 73 -4.809 -4.878 -8.148 492 HD12 LEU 73 2HD1 LEU 73 -4.197 -3.624 -7.053 493 HD13 LEU 73 3HD1 LEU 73 -4.672 -3.205 -8.702 494 HD21 LEU 73 3HD2 LEU 73 -7.311 -4.907 -8.757 495 HD22 LEU 73 1HD2 LEU 73 -7.010 -3.291 -9.402 496 HD23 LEU 73 2HD2 LEU 73 -8.322 -3.541 -8.249 497 H THR 74 H THR 74 -9.381 -3.534 -3.413 498 HA THR 74 HA THR 74 -8.109 -4.809 -1.402 499 HB THR 74 HB THR 74 -9.877 -3.030 -1.285 500 HG1 THR 74 1HG THR 74 -10.443 -4.533 0.837 501 HG21 THR 74 3HG2 THR 74 -11.742 -5.423 -0.883 502 HG22 THR 74 1HG2 THR 74 -11.754 -4.365 -2.311 503 HG23 THR 74 2HG2 THR 74 -12.144 -3.710 -0.719 504 H GLY 75 H GLY 75 -10.367 -6.462 -3.518 505 HA2 GLY 75 1HA GLY 75 -10.438 -8.851 -1.728 506 HA3 GLY 75 2HA GLY 75 -11.603 -8.452 -2.988 507 H GLN 76 H GLN 76 -8.424 -7.870 -4.067 508 HA GLN 76 HA GLN 76 -8.257 -10.453 -5.511 509 HB3 GLN 76 2HB GLN 76 -6.405 -9.452 -6.691 510 HG3 GLN 76 2HG GLN 76 -8.372 -7.154 -6.520 511 HE21 GLN 76 1HE2 GLN 76 -5.567 -7.373 -7.717 512 HE22 GLN 76 2HE2 GLN 76 -5.827 -7.231 -9.436 513 H ARG 77 H ARG 77 -5.839 -11.349 -5.405 514 HA ARG 77 HA ARG 77 -4.388 -10.543 -3.046 515 HB3 ARG 77 2HB ARG 77 -5.496 -12.200 -1.850 516 HG3 ARG 77 2HG ARG 77 -5.631 -13.884 -4.355 517 HD3 ARG 77 2HD ARG 77 -5.606 -14.675 -1.449 518 HE ARG 77 HE ARG 77 -7.900 -15.218 -2.677 519 HH11 ARG 77 1HH1 ARG 77 -5.188 -17.523 -2.539 520 HH12 ARG 77 2HH1 ARG 77 -6.078 -18.733 -1.692 521 HH21 ARG 77 1HH2 ARG 77 -9.135 -16.949 -1.883 522 HH22 ARG 77 2HH2 ARG 77 -8.361 -18.513 -1.568 523 H VAL 78 H VAL 78 -2.258 -10.628 -3.451 524 HA VAL 78 HA VAL 78 -1.296 -12.136 -5.813 525 HB VAL 78 HB VAL 78 -0.544 -9.842 -5.602 526 HG11 VAL 78 1HG1 VAL 78 0.817 -10.535 -2.984 527 HG12 VAL 78 2HG1 VAL 78 0.936 -9.013 -3.868 528 HG13 VAL 78 3HG1 VAL 78 -0.607 -9.485 -3.162 529 HG21 VAL 78 3HG2 VAL 78 0.946 -11.583 -6.583 530 HG22 VAL 78 1HG2 VAL 78 1.813 -10.196 -5.916 531 HG23 VAL 78 2HG2 VAL 78 1.767 -11.710 -5.009 532 H LEU 79 H LEU 79 -0.751 -14.199 -5.390 533 HA LEU 79 HA LEU 79 -0.097 -16.102 -4.378 534 HB3 LEU 79 2HB LEU 79 1.944 -15.931 -2.996 535 HG LEU 79 HG LEU 79 1.910 -13.961 -5.318 536 HD11 LEU 79 1HD1 LEU 79 4.294 -15.030 -3.767 537 HD12 LEU 79 2HD1 LEU 79 3.678 -13.357 -3.731 538 HD13 LEU 79 3HD1 LEU 79 4.342 -14.012 -5.228 539 HD21 LEU 79 3HD2 LEU 79 3.157 -15.752 -6.465 540 HD22 LEU 79 1HD2 LEU 79 1.528 -16.246 -6.027 541 HD23 LEU 79 2HD2 LEU 79 2.913 -16.828 -5.069 542 H GLY 80 H GLY 80 -2.015 -14.214 -2.571 543 HA2 GLY 80 1HA GLY 80 -3.435 -15.571 -0.934 544 HA3 GLY 80 2HA GLY 80 -1.891 -16.068 -0.267 545 H VAL 81 H VAL 81 -1.386 -12.918 -1.163 546 HA VAL 81 HA VAL 81 -2.215 -11.670 1.373 547 HB VAL 81 HB VAL 81 0.005 -11.008 -0.593 548 HG11 VAL 81 1HG1 VAL 81 -1.198 -9.294 1.604 549 HG12 VAL 81 2HG1 VAL 81 0.563 -9.279 1.341 550 HG13 VAL 81 3HG1 VAL 81 -0.524 -8.875 0.021 551 HG21 VAL 81 3HG2 VAL 81 0.653 -12.796 0.760 552 HG22 VAL 81 1HG2 VAL 81 1.291 -11.396 1.627 553 HG23 VAL 81 2HG2 VAL 81 -0.210 -12.180 2.173 554 HA PRO 82 HA PRO 82 -5.122 -9.481 -1.382 555 HB3 PRO 82 2HB PRO 82 -6.967 -10.772 -0.605 556 HG3 PRO 82 2HG PRO 82 -6.902 -11.790 1.537 557 HD3 PRO 82 2HD PRO 82 -4.971 -12.595 0.456 558 H ILE 83 H ILE 83 -6.310 -7.376 -0.505 559 HA ILE 83 HA ILE 83 -4.467 -6.042 1.377 560 HB ILE 83 HB ILE 83 -3.670 -5.506 -0.731 561 HG13 ILE 83 2HG1 ILE 83 -3.971 -3.676 1.061 562 HG21 ILE 83 1HG2 ILE 83 -6.158 -4.192 -1.788 563 HG22 ILE 83 2HG2 ILE 83 -4.682 -4.673 -2.622 564 HG23 ILE 83 3HG2 ILE 83 -5.811 -5.911 -2.108 565 HD11 ILE 83 3HD1 ILE 83 -3.468 -2.796 -1.782 566 HD12 ILE 83 1HD1 ILE 83 -3.009 -1.942 -0.301 567 HD13 ILE 83 2HD1 ILE 83 -2.263 -3.515 -0.664 568 H ILE 84 H ILE 84 -5.535 -3.737 1.846 569 HA ILE 84 HA ILE 84 -8.357 -4.109 2.616 570 HB ILE 84 HB ILE 84 -6.054 -2.982 4.286 571 HG13 ILE 84 2HG1 ILE 84 -6.510 -4.732 5.919 572 HG21 ILE 84 1HG2 ILE 84 -8.013 -1.632 4.755 573 HG22 ILE 84 2HG2 ILE 84 -9.053 -3.048 4.878 574 HG23 ILE 84 3HG2 ILE 84 -7.816 -2.737 6.110 575 HD11 ILE 84 3HD1 ILE 84 -7.869 -6.696 5.385 576 HD12 ILE 84 1HD1 ILE 84 -8.893 -5.268 5.516 577 HD13 ILE 84 2HD1 ILE 84 -8.486 -5.920 3.921 578 H VAL 85 H VAL 85 -9.505 -2.264 2.318 579 HA VAL 85 HA VAL 85 -8.785 -0.361 0.429 580 HB VAL 85 HB VAL 85 -10.971 0.554 0.961 581 HG11 VAL 85 1HG1 VAL 85 -11.191 -2.426 1.223 582 HG12 VAL 85 2HG1 VAL 85 -12.364 -1.281 0.556 583 HG13 VAL 85 3HG1 VAL 85 -10.835 -1.533 -0.280 584 HG21 VAL 85 3HG2 VAL 85 -10.880 0.491 3.485 585 HG22 VAL 85 1HG2 VAL 85 -12.322 -0.288 2.847 586 HG23 VAL 85 2HG2 VAL 85 -10.987 -1.281 3.432 587 H GLN 86 H GLN 86 -7.616 -0.307 3.534 588 HA GLN 86 HA GLN 86 -8.187 2.161 4.644 589 HB3 GLN 86 2HB GLN 86 -5.644 1.763 5.560 590 HG3 GLN 86 2HG GLN 86 -6.560 0.226 7.248 591 HE21 GLN 86 1HE2 GLN 86 -6.246 3.136 6.856 592 HE22 GLN 86 2HE2 GLN 86 -7.556 3.878 7.707 593 H ALA 87 H ALA 87 -5.382 1.495 2.436 594 HA ALA 87 HA ALA 87 -3.975 2.722 1.440 595 HB1 ALA 87 1HB ALA 87 -5.706 5.155 1.687 596 HB2 ALA 87 2HB ALA 87 -4.703 4.600 0.312 597 HB3 ALA 87 3HB ALA 87 -6.225 3.792 0.697 598 H SER 88 H SER 88 -2.933 5.019 1.653 599 HA SER 88 HA SER 88 -1.785 5.188 4.428 600 HB3 SER 88 2HB SER 88 -0.556 6.112 1.805 601 HG SER 88 HG SER 88 0.894 6.964 3.029 602 H GLN 89 H GLN 89 -2.687 6.988 5.567 603 HA GLN 89 HA GLN 89 -3.736 8.779 6.010 604 HB3 GLN 89 2HB GLN 89 -2.817 10.664 5.340 605 HG3 GLN 89 2HG GLN 89 -0.600 8.756 4.484 606 HE21 GLN 89 1HE2 GLN 89 -1.133 11.688 6.505 607 HE22 GLN 89 2HE2 GLN 89 0.090 12.649 5.696 608 H ALA 90 H ALA 90 -4.975 10.884 4.566 609 HA ALA 90 HA ALA 90 -6.845 9.791 2.649 610 HB1 ALA 90 1HB ALA 90 -8.851 10.334 4.100 611 HB2 ALA 90 2HB ALA 90 -7.911 8.962 4.713 612 HB3 ALA 90 3HB ALA 90 -7.760 10.563 5.472 613 H GLU 91 H GLU 91 -8.454 11.622 2.132 614 HA GLU 91 HA GLU 91 -7.125 14.141 1.848 615 HB3 GLU 91 2HB GLU 91 -8.684 13.256 0.179 616 HG3 GLU 91 2HG GLU 91 -10.800 13.518 2.301 617 H LYS 92 H LYS 92 -7.793 13.275 4.710 618 HA LYS 92 HA LYS 92 -9.798 15.364 5.454 619 HB3 LYS 92 2HB LYS 92 -10.579 13.840 7.195 620 HG3 LYS 92 2HG LYS 92 -10.526 12.318 4.551 621 HD3 LYS 92 2HD LYS 92 -12.567 12.682 6.776 622 HE3 LYS 92 2HE LYS 92 -13.034 11.609 3.958 623 HZ1 LYS 92 3HZ LYS 92 -15.326 11.580 4.722 624 HZ2 LYS 92 1HZ LYS 92 -14.866 11.874 6.271 625 HZ3 LYS 92 2HZ LYS 92 -14.426 10.473 5.506 626 H ASN 93 H ASN 93 -7.609 13.375 7.242 627 HA ASN 93 HA ASN 93 -6.302 13.738 9.045 628 HB3 ASN 93 2HB ASN 93 -5.484 16.332 7.656 629 HD21 ASN 93 1HD2 ASN 93 -4.359 13.348 9.372 630 HD22 ASN 93 2HD2 ASN 93 -2.982 14.119 10.116 631 H ARG 94 H ARG 94 -8.501 14.069 10.188 632 HA ARG 94 HA ARG 94 -8.552 16.771 11.447 633 HB3 ARG 94 2HB ARG 94 -11.023 16.737 11.367 634 HG3 ARG 94 2HG ARG 94 -9.982 16.472 8.552 635 HD3 ARG 94 2HD ARG 94 -11.966 18.318 9.878 636 HE ARG 94 HE ARG 94 -10.249 19.170 8.009 637 HH11 ARG 94 1HH1 ARG 94 -13.775 18.563 7.829 638 HH12 ARG 94 2HH1 ARG 94 -14.000 19.717 6.558 639 HH21 ARG 94 1HH2 ARG 94 -10.623 20.737 6.348 640 HH22 ARG 94 2HH2 ARG 94 -12.249 21.022 5.833 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -10.889 23.195 -3.770 2 HA2 GLY 1 1HA GLY 1 -12.890 21.888 -4.268 3 HA3 GLY 1 2HA GLY 1 -13.006 23.518 -4.975 4 H HIS 2 H HIS 2 -14.464 22.699 -6.625 5 HA HIS 2 HA HIS 2 -13.869 20.491 -8.310 6 HB3 HIS 2 2HB HIS 2 -15.788 21.233 -9.597 7 HD1 HIS 2 1HD HIS 2 -18.460 21.826 -8.400 8 HD2 HIS 2 2HD HIS 2 -15.321 19.967 -6.270 9 HE1 HIS 2 1HE HIS 2 -19.528 20.636 -6.424 10 H MET 3 H MET 3 -11.605 21.209 -8.787 11 HA MET 3 HA MET 3 -11.453 21.500 -11.503 12 HB3 MET 3 2HB MET 3 -10.062 23.933 -10.276 13 HG3 MET 3 2HG MET 3 -9.229 23.121 -12.466 14 HE1 MET 3 3HE MET 3 -13.370 23.982 -14.427 15 HE2 MET 3 1HE MET 3 -13.203 23.953 -12.664 16 HE3 MET 3 2HE MET 3 -12.373 25.211 -13.617 17 H ASN 4 H ASN 4 -9.682 22.044 -8.422 18 HA ASN 4 HA ASN 4 -7.168 21.165 -9.736 19 HB3 ASN 4 2HB ASN 4 -7.277 22.637 -7.101 20 HD21 ASN 4 1HD2 ASN 4 -5.821 23.831 -10.127 21 HD22 ASN 4 2HD2 ASN 4 -4.193 23.379 -9.697 22 H LEU 5 H LEU 5 -5.528 20.161 -8.049 23 HA LEU 5 HA LEU 5 -6.835 17.749 -7.018 24 HB3 LEU 5 2HB LEU 5 -3.911 18.509 -6.882 25 HG LEU 5 HG LEU 5 -4.789 16.394 -5.645 26 HD11 LEU 5 1HD1 LEU 5 -4.865 15.333 -8.513 27 HD12 LEU 5 2HD1 LEU 5 -6.291 15.543 -7.458 28 HD13 LEU 5 3HD1 LEU 5 -5.037 14.378 -7.029 29 HD21 LEU 5 3HD2 LEU 5 -2.813 15.095 -6.398 30 HD22 LEU 5 1HD2 LEU 5 -2.423 16.812 -6.145 31 HD23 LEU 5 2HD2 LEU 5 -2.631 16.175 -7.790 32 H THR 6 H THR 6 -7.272 17.431 -4.796 33 HA THR 6 HA THR 6 -6.779 19.605 -2.950 34 HB THR 6 HB THR 6 -8.705 18.311 -2.493 35 HG1 THR 6 1HG THR 6 -8.401 17.936 -0.432 36 HG21 THR 6 3HG2 THR 6 -8.328 16.172 -3.498 37 HG22 THR 6 1HG2 THR 6 -8.512 15.861 -1.774 38 HG23 THR 6 2HG2 THR 6 -6.898 15.891 -2.520 39 HA PRO 7 HA PRO 7 -2.633 18.355 -1.711 40 HB3 PRO 7 2HB PRO 7 -2.349 20.298 -0.547 41 HG3 PRO 7 2HG PRO 7 -4.209 21.410 0.420 42 HD3 PRO 7 2HD PRO 7 -4.938 20.940 -1.758 43 H GLU 8 H GLU 8 -5.584 17.097 -0.304 44 HA GLU 8 HA GLU 8 -4.327 15.306 1.578 45 HB3 GLU 8 2HB GLU 8 -7.136 15.402 0.407 46 HG3 GLU 8 2HG GLU 8 -6.018 14.326 3.034 47 H GLU 9 H GLU 9 -5.905 14.928 -1.665 48 HA GLU 9 HA GLU 9 -5.650 12.189 -1.927 49 HB3 GLU 9 2HB GLU 9 -5.695 14.437 -3.991 50 HG3 GLU 9 2HG GLU 9 -6.188 11.469 -4.269 51 H ARG 10 H ARG 10 -3.405 14.757 -3.015 52 HA ARG 10 HA ARG 10 -1.459 12.965 -4.065 53 HB3 ARG 10 2HB ARG 10 -1.703 15.432 -4.493 54 HG3 ARG 10 2HG ARG 10 0.467 15.403 -2.387 55 HD3 ARG 10 2HD ARG 10 -1.323 17.647 -3.344 56 HE ARG 10 HE ARG 10 0.800 17.370 -1.402 57 HH11 ARG 10 1HH1 ARG 10 -0.485 19.661 -3.791 58 HH12 ARG 10 2HH1 ARG 10 0.498 20.982 -3.232 59 HH21 ARG 10 1HH2 ARG 10 1.978 19.212 -0.551 60 HH22 ARG 10 2HH2 ARG 10 1.841 20.735 -1.365 61 H ASP 11 H ASP 11 -2.096 13.919 -0.797 62 HA ASP 11 HA ASP 11 0.495 13.297 0.336 63 HB3 ASP 11 2HB ASP 11 -1.748 13.074 2.197 64 H ALA 12 H ALA 12 -2.508 11.677 -0.378 65 HA ALA 12 HA ALA 12 -1.989 9.259 1.138 66 HB1 ALA 12 1HB ALA 12 -4.319 8.890 0.651 67 HB2 ALA 12 2HB ALA 12 -4.159 10.597 1.005 68 HB3 ALA 12 3HB ALA 12 -4.303 10.058 -0.685 69 H ARG 13 H ARG 13 -0.256 9.896 -1.247 70 HA ARG 13 HA ARG 13 -0.937 8.354 -3.505 71 HB3 ARG 13 2HB ARG 13 1.927 8.232 -3.090 72 HG3 ARG 13 2HG ARG 13 0.623 10.446 -4.622 73 HD3 ARG 13 2HD ARG 13 2.519 8.540 -5.887 74 HE ARG 13 HE ARG 13 1.813 11.099 -6.447 75 HH11 ARG 13 1HH1 ARG 13 4.913 9.979 -5.174 76 HH12 ARG 13 2HH1 ARG 13 5.808 11.199 -6.022 77 HH21 ARG 13 1HH2 ARG 13 3.063 12.825 -7.235 78 HH22 ARG 13 2HH2 ARG 13 4.806 12.717 -7.273 79 H THR 14 H THR 14 0.151 7.189 -0.414 80 HA THR 14 HA THR 14 1.407 4.814 -1.580 81 HB THR 14 HB THR 14 1.109 5.797 1.286 82 HG1 THR 14 1HG THR 14 2.219 7.276 0.274 83 HG21 THR 14 3HG2 THR 14 1.795 3.395 1.082 84 HG22 THR 14 1HG2 THR 14 2.994 4.470 1.854 85 HG23 THR 14 2HG2 THR 14 3.237 3.949 0.190 86 H VAL 15 H VAL 15 0.665 2.621 -1.177 87 HA VAL 15 HA VAL 15 -2.213 2.500 -0.395 88 HB VAL 15 HB VAL 15 -2.382 0.499 -1.757 89 HG11 VAL 15 1HG1 VAL 15 -1.563 3.064 -3.217 90 HG12 VAL 15 2HG1 VAL 15 -2.543 1.763 -3.905 91 HG13 VAL 15 3HG1 VAL 15 -3.167 2.699 -2.540 92 HG21 VAL 15 3HG2 VAL 15 0.310 1.285 -2.963 93 HG22 VAL 15 1HG2 VAL 15 -0.058 -0.206 -2.052 94 HG23 VAL 15 2HG2 VAL 15 -0.811 0.084 -3.622 95 H PHE 16 H PHE 16 -2.720 1.376 1.327 96 HA PHE 16 HA PHE 16 -0.588 0.239 2.941 97 HB3 PHE 16 2HB PHE 16 -3.503 0.899 3.506 98 HD1 PHE 16 1HD PHE 16 -0.355 -0.467 5.004 99 HD2 PHE 16 2HD PHE 16 -4.387 0.873 5.756 100 HE1 PHE 16 1HE PHE 16 -0.255 -1.446 7.229 101 HE2 PHE 16 2HE PHE 16 -4.262 -0.073 8.021 102 HZ PHE 16 HZ PHE 16 -2.215 -1.309 8.760 103 H CYS 17 H CYS 17 -0.297 -1.863 3.058 104 HA CYS 17 HA CYS 17 -2.356 -3.753 2.077 105 HB3 CYS 17 2HB CYS 17 -0.417 -5.178 1.657 106 HG CYS 17 HG CYS 17 0.933 -3.889 -0.297 107 H MET 18 H MET 18 -3.431 -3.837 4.084 108 HA MET 18 HA MET 18 -1.908 -4.492 6.463 109 HB3 MET 18 2HB MET 18 -4.898 -4.044 6.158 110 HG3 MET 18 2HG MET 18 -3.009 -3.698 8.521 111 HE1 MET 18 3HE MET 18 -6.712 -2.904 7.147 112 HE2 MET 18 1HE MET 18 -6.879 -4.189 8.370 113 HE3 MET 18 2HE MET 18 -7.507 -2.551 8.691 114 H GLN 19 H GLN 19 -2.096 -6.752 4.406 115 HA GLN 19 HA GLN 19 -3.233 -8.769 6.216 116 HB3 GLN 19 2HB GLN 19 -4.441 -8.628 3.422 117 HG3 GLN 19 2HG GLN 19 -5.483 -9.570 6.162 118 HE21 GLN 19 1HE2 GLN 19 -6.687 -8.518 3.142 119 HE22 GLN 19 2HE2 GLN 19 -8.030 -9.588 3.087 120 H LEU 20 H LEU 20 -0.573 -8.423 5.474 121 HA LEU 20 HA LEU 20 0.115 -9.887 3.113 122 HB3 LEU 20 2HB LEU 20 2.409 -9.613 3.780 123 HG LEU 20 HG LEU 20 1.075 -7.136 4.925 124 HD11 LEU 20 1HD1 LEU 20 3.055 -6.019 4.074 125 HD12 LEU 20 2HD1 LEU 20 3.666 -7.516 3.364 126 HD13 LEU 20 3HD1 LEU 20 3.539 -7.344 5.139 127 HD21 LEU 20 3HD2 LEU 20 1.239 -6.246 2.552 128 HD22 LEU 20 1HD2 LEU 20 -0.065 -7.402 2.833 129 HD23 LEU 20 2HD2 LEU 20 1.406 -7.919 2.000 130 H ALA 21 H ALA 21 1.345 -11.889 2.897 131 HA ALA 21 HA ALA 21 0.588 -13.949 4.804 132 HB1 ALA 21 1HB ALA 21 2.377 -14.177 2.363 133 HB2 ALA 21 2HB ALA 21 1.771 -15.516 3.343 134 HB3 ALA 21 3HB ALA 21 0.622 -14.539 2.433 135 H ALA 22 H ALA 22 2.137 -15.314 5.905 136 HA ALA 22 HA ALA 22 4.139 -14.002 7.322 137 HB1 ALA 22 1HB ALA 22 4.762 -16.334 8.044 138 HB2 ALA 22 2HB ALA 22 3.040 -15.960 8.183 139 HB3 ALA 22 3HB ALA 22 3.631 -16.962 6.835 140 H ARG 23 H ARG 23 4.495 -15.318 4.096 141 HA ARG 23 HA ARG 23 7.455 -15.019 4.330 142 HB3 ARG 23 2HB ARG 23 6.312 -16.987 2.368 143 HG3 ARG 23 2HG ARG 23 8.188 -18.384 3.361 144 HD3 ARG 23 2HD ARG 23 9.251 -15.790 2.199 145 HE ARG 23 HE ARG 23 10.874 -17.514 3.046 146 HH11 ARG 23 1HH1 ARG 23 9.437 -17.860 -0.254 147 HH12 ARG 23 2HH1 ARG 23 10.802 -18.753 -0.826 148 HH21 ARG 23 1HH2 ARG 23 12.590 -18.962 2.170 149 HH22 ARG 23 2HH2 ARG 23 12.574 -19.282 0.495 150 H ILE 24 H ILE 24 5.504 -12.941 3.566 151 HA ILE 24 HA ILE 24 5.708 -12.483 0.754 152 HB ILE 24 HB ILE 24 4.115 -11.374 2.265 153 HG13 ILE 24 2HG1 ILE 24 5.595 -10.224 0.144 154 HG21 ILE 24 1HG2 ILE 24 4.732 -9.500 3.702 155 HG22 ILE 24 2HG2 ILE 24 5.505 -10.978 4.254 156 HG23 ILE 24 3HG2 ILE 24 6.448 -9.762 3.375 157 HD11 ILE 24 3HD1 ILE 24 2.986 -9.290 1.318 158 HD12 ILE 24 1HD1 ILE 24 3.593 -9.046 -0.343 159 HD13 ILE 24 2HD1 ILE 24 3.203 -10.667 0.209 160 H ARG 25 H ARG 25 7.285 -11.367 -0.394 161 HA ARG 25 HA ARG 25 9.801 -10.546 1.025 162 HB3 ARG 25 2HB ARG 25 10.536 -10.149 -1.463 163 HG3 ARG 25 2HG ARG 25 10.021 -13.011 -0.541 164 HD3 ARG 25 2HD ARG 25 12.123 -11.760 -2.370 165 HE ARG 25 HE ARG 25 13.238 -13.540 -1.512 166 HH11 ARG 25 1HH1 ARG 25 10.020 -14.652 -2.592 167 HH12 ARG 25 2HH1 ARG 25 10.478 -16.305 -2.776 168 HH21 ARG 25 1HH2 ARG 25 13.805 -15.728 -1.550 169 HH22 ARG 25 2HH2 ARG 25 12.711 -16.944 -2.076 170 HA PRO 26 HA PRO 26 8.574 -6.285 0.463 171 HB3 PRO 26 2HB PRO 26 10.541 -5.461 1.294 172 HG3 PRO 26 2HG PRO 26 12.547 -6.708 1.075 173 HD3 PRO 26 2HD PRO 26 10.927 -8.262 1.847 174 H ARG 27 H ARG 27 10.407 -7.854 -2.203 175 HA ARG 27 HA ARG 27 9.511 -6.059 -4.207 176 HB3 ARG 27 2HB ARG 27 10.366 -8.941 -4.634 177 HG3 ARG 27 2HG ARG 27 10.426 -6.396 -6.306 178 HD3 ARG 27 2HD ARG 27 11.461 -7.812 -8.117 179 HE ARG 27 HE ARG 27 13.698 -7.988 -6.418 180 HH11 ARG 27 1HH1 ARG 27 11.596 -5.466 -7.801 181 HH12 ARG 27 2HH1 ARG 27 12.578 -4.175 -7.182 182 HH21 ARG 27 1HH2 ARG 27 15.167 -6.393 -6.119 183 HH22 ARG 27 2HH2 ARG 27 14.821 -4.719 -6.428 184 H ASP 28 H ASP 28 7.770 -8.725 -2.654 185 HA ASP 28 HA ASP 28 6.109 -9.450 -4.865 186 HB3 ASP 28 2HB ASP 28 4.479 -10.186 -3.035 187 H LEU 29 H LEU 29 5.947 -6.801 -2.562 188 HA LEU 29 HA LEU 29 3.161 -6.156 -2.974 189 HB3 LEU 29 2HB LEU 29 3.791 -3.961 -1.944 190 HG LEU 29 HG LEU 29 4.078 -4.574 0.241 191 HD11 LEU 29 1HD1 LEU 29 3.011 -7.125 -1.042 192 HD12 LEU 29 2HD1 LEU 29 2.065 -5.660 -0.689 193 HD13 LEU 29 3HD1 LEU 29 2.766 -6.603 0.635 194 HD21 LEU 29 3HD2 LEU 29 5.220 -6.505 1.114 195 HD22 LEU 29 1HD2 LEU 29 6.298 -5.638 0.013 196 HD23 LEU 29 2HD2 LEU 29 5.513 -7.139 -0.514 197 H GLU 30 H GLU 30 6.187 -5.072 -4.481 198 HA GLU 30 HA GLU 30 4.736 -3.062 -6.020 199 HB3 GLU 30 2HB GLU 30 6.827 -2.230 -5.631 200 HG3 GLU 30 2HG GLU 30 8.054 -4.940 -6.149 201 H GLU 31 H GLU 31 6.130 -6.296 -6.532 202 HA GLU 31 HA GLU 31 5.845 -6.556 -9.289 203 HB3 GLU 31 2HB GLU 31 5.474 -9.031 -8.678 204 HG3 GLU 31 2HG GLU 31 7.745 -8.917 -7.191 205 H PHE 32 H PHE 32 3.364 -7.165 -6.767 206 HA PHE 32 HA PHE 32 1.298 -8.171 -8.442 207 HB3 PHE 32 2HB PHE 32 1.080 -6.412 -5.981 208 HD1 PHE 32 2HD PHE 32 -0.647 -8.870 -8.295 209 HD2 PHE 32 1HD PHE 32 -1.068 -6.162 -4.950 210 HE1 PHE 32 2HE PHE 32 -3.017 -9.142 -8.411 211 HE2 PHE 32 1HE PHE 32 -3.515 -6.454 -5.059 212 HZ PHE 32 HZ PHE 32 -4.531 -7.924 -6.757 213 H PHE 33 H PHE 33 2.234 -4.774 -7.767 214 HA PHE 33 HA PHE 33 -0.016 -3.770 -9.388 215 HB3 PHE 33 2HB PHE 33 0.716 -1.625 -8.614 216 HD1 PHE 33 2HD PHE 33 -1.314 -3.572 -7.548 217 HD2 PHE 33 1HD PHE 33 2.146 -1.767 -5.691 218 HE1 PHE 33 2HE PHE 33 -2.344 -3.856 -5.340 219 HE2 PHE 33 1HE PHE 33 1.067 -2.011 -3.484 220 HZ PHE 33 HZ PHE 33 -1.183 -3.055 -3.291 221 H SER 34 H SER 34 3.213 -4.740 -9.986 222 HA SER 34 HA SER 34 4.124 -2.809 -11.811 223 HB3 SER 34 2HB SER 34 4.874 -5.753 -11.797 224 HG SER 34 HG SER 34 6.955 -4.770 -11.914 225 H THR 35 H THR 35 1.629 -5.120 -12.217 226 HA THR 35 HA THR 35 1.811 -5.636 -15.006 227 HB THR 35 HB THR 35 0.492 -6.854 -13.343 228 HG1 THR 35 1HG THR 35 -1.200 -6.039 -15.459 229 HG21 THR 35 3HG2 THR 35 -1.649 -6.240 -12.612 230 HG22 THR 35 1HG2 THR 35 -1.674 -4.780 -13.609 231 HG23 THR 35 2HG2 THR 35 -0.584 -4.890 -12.199 232 H VAL 36 H VAL 36 0.784 -2.735 -13.219 233 HA VAL 36 HA VAL 36 0.300 -1.356 -15.827 234 HB VAL 36 HB VAL 36 -1.778 -0.330 -14.802 235 HG11 VAL 36 1HG1 VAL 36 -1.844 -2.004 -16.601 236 HG12 VAL 36 2HG1 VAL 36 -1.951 -3.291 -15.380 237 HG13 VAL 36 3HG1 VAL 36 -3.241 -2.084 -15.522 238 HG21 VAL 36 3HG2 VAL 36 -1.348 -1.044 -12.460 239 HG22 VAL 36 1HG2 VAL 36 -2.968 -1.474 -13.065 240 HG23 VAL 36 2HG2 VAL 36 -1.714 -2.706 -12.908 241 H GLY 37 H GLY 37 2.431 -1.213 -13.466 242 HA2 GLY 37 1HA GLY 37 2.514 1.683 -13.544 243 HA3 GLY 37 2HA GLY 37 2.111 1.012 -11.963 244 H LYS 38 H LYS 38 4.211 2.473 -11.969 245 HA LYS 38 HA LYS 38 6.558 0.621 -11.858 246 HB3 LYS 38 2HB LYS 38 6.779 1.940 -13.871 247 HG3 LYS 38 2HG LYS 38 5.994 4.275 -12.211 248 HD3 LYS 38 2HD LYS 38 8.598 4.485 -13.725 249 HE3 LYS 38 2HE LYS 38 8.485 6.742 -12.403 250 HZ1 LYS 38 3HZ LYS 38 6.644 6.360 -14.677 251 HZ2 LYS 38 1HZ LYS 38 8.250 6.759 -14.775 252 HZ3 LYS 38 2HZ LYS 38 7.158 7.826 -14.111 253 H VAL 39 H VAL 39 5.178 0.821 -9.787 254 HA VAL 39 HA VAL 39 5.268 2.785 -7.837 255 HB VAL 39 HB VAL 39 3.947 0.941 -7.468 256 HG11 VAL 39 1HG1 VAL 39 4.675 -1.315 -7.142 257 HG12 VAL 39 2HG1 VAL 39 5.225 -0.823 -8.738 258 HG13 VAL 39 3HG1 VAL 39 6.385 -0.841 -7.423 259 HG21 VAL 39 3HG2 VAL 39 4.408 0.189 -5.319 260 HG22 VAL 39 1HG2 VAL 39 6.160 0.375 -5.450 261 HG23 VAL 39 2HG2 VAL 39 5.102 1.818 -5.354 262 H ARG 40 H ARG 40 6.617 3.718 -6.519 263 HA ARG 40 HA ARG 40 9.203 3.896 -7.721 264 HB3 ARG 40 2HB ARG 40 8.034 5.250 -5.250 265 HG3 ARG 40 2HG ARG 40 10.598 5.525 -5.747 266 HD3 ARG 40 2HD ARG 40 9.440 6.649 -8.172 267 HE ARG 40 HE ARG 40 9.379 8.820 -7.390 268 HH11 ARG 40 1HH1 ARG 40 12.563 7.400 -6.654 269 HH12 ARG 40 2HH1 ARG 40 13.304 8.921 -6.298 270 HH21 ARG 40 1HH2 ARG 40 10.298 10.757 -6.594 271 HH22 ARG 40 2HH2 ARG 40 12.005 10.877 -6.296 272 H ASP 41 H ASP 41 7.960 2.969 -4.507 273 HA ASP 41 HA ASP 41 10.008 1.110 -4.012 274 HB3 ASP 41 2HB ASP 41 10.246 3.181 -1.882 275 H VAL 42 H VAL 42 9.833 0.594 -1.415 276 HA VAL 42 HA VAL 42 6.954 0.667 -0.667 277 HB VAL 42 HB VAL 42 8.620 -1.873 -0.716 278 HG11 VAL 42 1HG1 VAL 42 5.663 -1.431 -0.272 279 HG12 VAL 42 2HG1 VAL 42 6.450 -3.017 -0.450 280 HG13 VAL 42 3HG1 VAL 42 6.851 -1.993 0.914 281 HG21 VAL 42 3HG2 VAL 42 8.399 -1.424 -3.021 282 HG22 VAL 42 1HG2 VAL 42 7.127 -2.585 -2.657 283 HG23 VAL 42 2HG2 VAL 42 6.743 -0.856 -2.854 284 H ARG 43 H ARG 43 6.570 0.534 1.538 285 HA ARG 43 HA ARG 43 8.869 0.642 3.394 286 HB3 ARG 43 2HB ARG 43 6.038 1.488 4.084 287 HG3 ARG 43 2HG ARG 43 8.013 1.566 5.727 288 HD3 ARG 43 2HD ARG 43 9.249 2.961 3.596 289 HE ARG 43 HE ARG 43 8.715 5.144 3.990 290 HH11 ARG 43 1HH1 ARG 43 9.382 3.609 7.153 291 HH12 ARG 43 2HH1 ARG 43 9.741 5.073 7.942 292 HH21 ARG 43 1HH2 ARG 43 8.948 7.087 5.078 293 HH22 ARG 43 2HH2 ARG 43 9.313 7.191 6.770 294 H MET 44 H MET 44 9.207 -1.370 4.059 295 HA MET 44 HA MET 44 6.948 -3.187 4.817 296 HB3 MET 44 2HB MET 44 9.085 -4.852 4.661 297 HG3 MET 44 2HG MET 44 8.275 -4.691 1.973 298 HE1 MET 44 3HE MET 44 6.172 -7.364 5.146 299 HE2 MET 44 1HE MET 44 7.141 -5.947 5.607 300 HE3 MET 44 2HE MET 44 5.638 -5.736 4.684 301 H ILE 45 H ILE 45 6.706 -3.295 6.954 302 HA ILE 45 HA ILE 45 8.600 -1.832 8.616 303 HB ILE 45 HB ILE 45 5.710 -2.759 9.125 304 HG13 ILE 45 2HG1 ILE 45 6.955 -0.277 7.946 305 HG21 ILE 45 1HG2 ILE 45 7.567 -0.884 10.676 306 HG22 ILE 45 2HG2 ILE 45 5.822 -1.085 10.991 307 HG23 ILE 45 3HG2 ILE 45 6.924 -2.424 11.258 308 HD11 ILE 45 3HD1 ILE 45 4.099 -1.155 7.542 309 HD12 ILE 45 1HD1 ILE 45 5.234 -0.367 6.418 310 HD13 ILE 45 2HD1 ILE 45 5.356 -2.092 6.744 311 H SER 46 H SER 46 10.244 -3.506 8.555 312 HA SER 46 HA SER 46 9.675 -6.104 9.757 313 HB3 SER 46 2HB SER 46 11.944 -6.610 9.329 314 HG SER 46 HG SER 46 10.615 -6.415 7.410 315 H ASP 47 H ASP 47 8.839 -4.792 11.603 316 HA ASP 47 HA ASP 47 10.618 -3.692 13.600 317 HB3 ASP 47 2HB ASP 47 7.848 -4.502 14.342 318 H ARG 48 H ARG 48 10.951 -6.540 12.805 319 HA ARG 48 HA ARG 48 11.202 -8.679 13.479 320 HB3 ARG 48 2HB ARG 48 13.137 -7.649 14.367 321 HG3 ARG 48 2HG ARG 48 11.473 -7.474 16.892 322 HD3 ARG 48 2HD ARG 48 14.358 -8.165 16.485 323 HE ARG 48 HE ARG 48 13.449 -6.170 18.372 324 HH11 ARG 48 1HH1 ARG 48 15.532 -9.009 18.520 325 HH12 ARG 48 2HH1 ARG 48 16.771 -8.200 19.408 326 HH21 ARG 48 1HH2 ARG 48 14.952 -5.174 19.580 327 HH22 ARG 48 2HH2 ARG 48 16.461 -5.905 20.040 328 H ASN 49 H ASN 49 11.071 -10.083 15.858 329 HA ASN 49 HA ASN 49 8.130 -10.193 16.313 330 HB3 ASN 49 2HB ASN 49 8.819 -12.285 17.603 331 HD21 ASN 49 1HD2 ASN 49 10.336 -12.401 14.401 332 HD22 ASN 49 2HD2 ASN 49 8.924 -13.035 13.533 333 H SER 50 H SER 50 8.114 -8.250 17.367 334 HA SER 50 HA SER 50 8.675 -8.496 20.240 335 HB3 SER 50 2HB SER 50 9.835 -6.250 18.527 336 HG SER 50 HG SER 50 10.404 -6.684 21.259 337 H ARG 51 H ARG 51 7.916 -5.597 18.219 338 HA ARG 51 HA ARG 51 5.112 -5.568 19.230 339 HB3 ARG 51 2HB ARG 51 7.244 -3.389 19.016 340 HG3 ARG 51 2HG ARG 51 4.261 -2.969 19.474 341 HD3 ARG 51 2HD ARG 51 4.858 -0.557 19.443 342 HE ARG 51 HE ARG 51 6.557 -1.624 21.599 343 HH11 ARG 51 1HH1 ARG 51 3.272 -0.444 20.743 344 HH12 ARG 51 2HH1 ARG 51 2.704 -0.657 22.371 345 HH21 ARG 51 1HH2 ARG 51 5.803 -1.592 23.704 346 HH22 ARG 51 2HH2 ARG 51 4.145 -1.310 24.064 347 H ARG 52 H ARG 52 3.929 -6.046 17.317 348 HA ARG 52 HA ARG 52 4.386 -4.317 15.129 349 HB3 ARG 52 2HB ARG 52 6.006 -5.549 14.311 350 HG3 ARG 52 2HG ARG 52 4.321 -7.913 14.935 351 HD3 ARG 52 2HD ARG 52 6.943 -7.680 13.354 352 HE ARG 52 HE ARG 52 6.439 -9.865 14.662 353 HH11 ARG 52 1HH1 ARG 52 5.786 -9.226 11.191 354 HH12 ARG 52 2HH1 ARG 52 5.910 -10.878 10.740 355 HH21 ARG 52 1HH2 ARG 52 6.584 -12.109 14.007 356 HH22 ARG 52 2HH2 ARG 52 6.062 -12.529 12.417 357 H SER 53 H SER 53 2.584 -4.165 13.698 358 HA SER 53 HA SER 53 0.096 -5.339 14.345 359 HB3 SER 53 2HB SER 53 -0.666 -4.139 12.452 360 HG SER 53 HG SER 53 0.455 -2.173 12.540 361 H LYS 54 H LYS 54 2.679 -6.991 13.261 362 HA LYS 54 HA LYS 54 3.212 -8.816 12.110 363 HB3 LYS 54 2HB LYS 54 1.645 -10.753 12.461 364 HG3 LYS 54 2HG LYS 54 2.028 -9.054 14.942 365 HD3 LYS 54 2HD LYS 54 0.792 -11.257 15.208 366 HE3 LYS 54 2HE LYS 54 2.870 -13.039 15.370 367 HZ1 LYS 54 3HZ LYS 54 1.931 -14.199 13.625 368 HZ2 LYS 54 1HZ LYS 54 1.265 -12.894 12.876 369 HZ3 LYS 54 2HZ LYS 54 0.689 -13.416 14.315 370 H GLY 55 H GLY 55 0.924 -7.091 10.456 371 HA2 GLY 55 1HA GLY 55 1.684 -8.534 7.986 372 HA3 GLY 55 2HA GLY 55 -0.019 -8.622 8.432 373 H ILE 56 H ILE 56 2.653 -6.300 7.748 374 HA ILE 56 HA ILE 56 0.702 -4.399 6.637 375 HB ILE 56 HB ILE 56 1.891 -2.525 7.919 376 HG13 ILE 56 2HG1 ILE 56 3.712 -3.974 8.882 377 HG21 ILE 56 1HG2 ILE 56 0.113 -4.382 9.589 378 HG22 ILE 56 2HG2 ILE 56 0.193 -2.608 9.664 379 HG23 ILE 56 3HG2 ILE 56 -0.503 -3.414 8.262 380 HD11 ILE 56 3HD1 ILE 56 3.312 -1.691 9.719 381 HD12 ILE 56 1HD1 ILE 56 2.099 -2.301 10.849 382 HD13 ILE 56 2HD1 ILE 56 3.787 -2.784 11.032 383 H ALA 57 H ALA 57 1.458 -3.256 4.945 384 HA ALA 57 HA ALA 57 4.192 -2.371 4.893 385 HB1 ALA 57 1HB ALA 57 4.480 -2.854 2.458 386 HB2 ALA 57 2HB ALA 57 4.468 -4.330 3.427 387 HB3 ALA 57 3HB ALA 57 3.023 -3.865 2.496 388 H TYR 58 H TYR 58 4.251 -0.384 3.578 389 HA TYR 58 HA TYR 58 1.662 0.573 2.411 390 HB3 TYR 58 2HB TYR 58 2.211 2.814 3.121 391 HD1 TYR 58 1HD TYR 58 3.654 0.924 5.910 392 HD2 TYR 58 2HD TYR 58 0.169 2.864 4.348 393 HE1 TYR 58 1HE TYR 58 2.572 0.633 8.086 394 HE2 TYR 58 2HE TYR 58 -0.953 2.640 6.563 395 HH TYR 58 HH TYR 58 0.743 1.337 9.434 396 H VAL 59 H VAL 59 1.984 0.965 0.254 397 HA VAL 59 HA VAL 59 4.743 0.620 -0.796 398 HB VAL 59 HB VAL 59 2.177 0.039 -2.274 399 HG11 VAL 59 1HG1 VAL 59 3.455 -1.292 -3.660 400 HG12 VAL 59 2HG1 VAL 59 4.613 -0.014 -3.221 401 HG13 VAL 59 3HG1 VAL 59 4.685 -1.600 -2.430 402 HG21 VAL 59 3HG2 VAL 59 3.460 -1.901 -0.305 403 HG22 VAL 59 1HG2 VAL 59 1.815 -1.251 -0.240 404 HG23 VAL 59 2HG2 VAL 59 2.263 -2.331 -1.543 405 H GLU 60 H GLU 60 5.649 2.477 -1.822 406 HA GLU 60 HA GLU 60 3.719 4.680 -2.150 407 HB3 GLU 60 2HB GLU 60 6.741 4.807 -1.980 408 HG3 GLU 60 2HG GLU 60 4.487 6.835 -2.341 409 H PHE 61 H PHE 61 2.752 3.896 -4.017 410 HA PHE 61 HA PHE 61 3.828 3.627 -6.512 411 HB3 PHE 61 2HB PHE 61 1.525 5.221 -6.825 412 HD1 PHE 61 1HD PHE 61 2.164 4.026 -8.945 413 HD2 PHE 61 2HD PHE 61 0.617 1.996 -5.448 414 HE1 PHE 61 1HE PHE 61 1.363 2.184 -10.361 415 HE2 PHE 61 2HE PHE 61 -0.197 0.158 -6.904 416 HZ PHE 61 HZ PHE 61 0.145 0.289 -9.373 417 H VAL 62 H VAL 62 3.965 5.008 -8.293 418 HA VAL 62 HA VAL 62 5.413 7.476 -7.925 419 HB VAL 62 HB VAL 62 5.434 7.142 -10.571 420 HG11 VAL 62 1HG1 VAL 62 6.607 5.045 -8.734 421 HG12 VAL 62 2HG1 VAL 62 7.167 5.452 -10.341 422 HG13 VAL 62 3HG1 VAL 62 7.314 6.633 -9.045 423 HG21 VAL 62 3HG2 VAL 62 4.724 4.342 -10.056 424 HG22 VAL 62 1HG2 VAL 62 3.380 5.495 -10.206 425 HG23 VAL 62 2HG2 VAL 62 4.509 5.399 -11.492 426 H ASP 63 H ASP 63 2.155 6.583 -8.914 427 HA ASP 63 HA ASP 63 1.521 9.396 -9.579 428 HB3 ASP 63 2HB ASP 63 0.176 6.895 -10.697 429 H VAL 64 H VAL 64 -0.855 9.818 -9.100 430 HA VAL 64 HA VAL 64 -1.640 8.488 -6.578 431 HB VAL 64 HB VAL 64 -3.188 10.749 -7.844 432 HG11 VAL 64 1HG1 VAL 64 -2.545 9.866 -4.986 433 HG12 VAL 64 2HG1 VAL 64 -3.411 11.342 -5.399 434 HG13 VAL 64 3HG1 VAL 64 -4.110 9.775 -5.824 435 HG21 VAL 64 3HG2 VAL 64 -0.859 11.600 -7.937 436 HG22 VAL 64 1HG2 VAL 64 -1.797 12.431 -6.711 437 HG23 VAL 64 2HG2 VAL 64 -0.637 11.179 -6.228 438 H SER 65 H SER 65 -2.529 8.588 -10.031 439 HA SER 65 HA SER 65 -5.228 7.869 -9.820 440 HB3 SER 65 2HB SER 65 -3.232 7.034 -11.963 441 HG SER 65 HG SER 65 -5.995 7.649 -12.185 442 H SER 66 H SER 66 -2.347 5.761 -9.368 443 HA SER 66 HA SER 66 -3.785 3.312 -9.881 444 HB3 SER 66 2HB SER 66 -1.422 3.446 -10.177 445 HG SER 66 HG SER 66 -0.243 3.705 -8.070 446 H VAL 67 H VAL 67 -3.595 5.438 -7.117 447 HA VAL 67 HA VAL 67 -3.657 3.626 -4.974 448 HB VAL 67 HB VAL 67 -4.776 6.434 -5.284 449 HG11 VAL 67 1HG1 VAL 67 -4.797 6.598 -2.855 450 HG12 VAL 67 2HG1 VAL 67 -5.952 5.394 -3.414 451 HG13 VAL 67 3HG1 VAL 67 -4.405 4.872 -2.705 452 HG21 VAL 67 3HG2 VAL 67 -2.299 6.186 -5.540 453 HG22 VAL 67 1HG2 VAL 67 -2.763 7.092 -4.088 454 HG23 VAL 67 2HG2 VAL 67 -2.243 5.398 -3.948 455 HA PRO 68 HA PRO 68 -8.389 3.303 -5.269 456 HB3 PRO 68 2HB PRO 68 -9.371 5.223 -6.002 457 HG3 PRO 68 2HG PRO 68 -8.458 6.527 -7.785 458 HD3 PRO 68 2HD PRO 68 -6.853 6.303 -6.056 459 H LEU 69 H LEU 69 -6.232 2.714 -8.011 460 HA LEU 69 HA LEU 69 -7.833 0.596 -9.128 461 HB3 LEU 69 2HB LEU 69 -4.938 0.206 -9.431 462 HG LEU 69 HG LEU 69 -7.146 0.954 -11.390 463 HD11 LEU 69 1HD1 LEU 69 -5.592 0.152 -13.104 464 HD12 LEU 69 2HD1 LEU 69 -4.371 -0.196 -11.857 465 HD13 LEU 69 3HD1 LEU 69 -4.865 1.475 -12.181 466 HD21 LEU 69 3HD2 LEU 69 -5.969 -1.788 -10.705 467 HD22 LEU 69 1HD2 LEU 69 -7.142 -1.447 -12.005 468 HD23 LEU 69 2HD2 LEU 69 -7.613 -1.245 -10.320 469 H ALA 70 H ALA 70 -5.033 0.716 -6.895 470 HA ALA 70 HA ALA 70 -4.892 -2.046 -6.366 471 HB1 ALA 70 1HB ALA 70 -4.166 0.287 -4.541 472 HB2 ALA 70 2HB ALA 70 -3.561 -1.380 -4.405 473 HB3 ALA 70 3HB ALA 70 -3.127 -0.391 -5.815 474 H ILE 71 H ILE 71 -6.795 0.509 -4.747 475 HA ILE 71 HA ILE 71 -7.952 -1.088 -2.687 476 HB ILE 71 HB ILE 71 -8.932 1.364 -4.190 477 HG13 ILE 71 2HG1 ILE 71 -6.788 1.525 -2.803 478 HG21 ILE 71 1HG2 ILE 71 -10.497 1.700 -2.235 479 HG22 ILE 71 2HG2 ILE 71 -10.900 0.327 -3.246 480 HG23 ILE 71 3HG2 ILE 71 -10.073 0.060 -1.703 481 HD11 ILE 71 3HD1 ILE 71 -8.915 3.171 -1.452 482 HD12 ILE 71 1HD1 ILE 71 -7.268 3.624 -1.924 483 HD13 ILE 71 2HD1 ILE 71 -8.511 3.440 -3.164 484 H GLY 72 H GLY 72 -8.840 -0.631 -6.139 485 HA2 GLY 72 1HA GLY 72 -11.242 -2.125 -6.068 486 HA3 GLY 72 2HA GLY 72 -10.289 -1.709 -7.490 487 H LEU 73 H LEU 73 -8.088 -3.311 -5.596 488 HA LEU 73 HA LEU 73 -8.810 -5.985 -6.726 489 HB3 LEU 73 2HB LEU 73 -6.440 -6.480 -6.694 490 HG LEU 73 HG LEU 73 -6.807 -3.798 -8.089 491 HD11 LEU 73 1HD1 LEU 73 -4.505 -4.633 -7.934 492 HD12 LEU 73 2HD1 LEU 73 -5.094 -4.626 -9.597 493 HD13 LEU 73 3HD1 LEU 73 -4.987 -6.157 -8.707 494 HD21 LEU 73 3HD2 LEU 73 -7.327 -5.308 -10.132 495 HD22 LEU 73 1HD2 LEU 73 -8.619 -4.992 -8.970 496 HD23 LEU 73 2HD2 LEU 73 -7.790 -6.544 -8.944 497 H THR 74 H THR 74 -9.394 -4.536 -3.933 498 HA THR 74 HA THR 74 -8.255 -5.944 -1.850 499 HB THR 74 HB THR 74 -9.717 -3.943 -1.768 500 HG1 THR 74 1HG THR 74 -10.127 -6.110 -0.010 501 HG21 THR 74 3HG2 THR 74 -12.154 -4.299 -1.446 502 HG22 THR 74 1HG2 THR 74 -11.985 -6.007 -1.814 503 HG23 THR 74 2HG2 THR 74 -11.660 -4.789 -3.066 504 H GLY 75 H GLY 75 -9.877 -7.539 -4.268 505 HA2 GLY 75 1HA GLY 75 -10.916 -9.712 -2.492 506 HA3 GLY 75 2HA GLY 75 -11.586 -9.322 -4.073 507 H GLN 76 H GLN 76 -8.137 -9.147 -4.138 508 HA GLN 76 HA GLN 76 -7.977 -11.879 -5.346 509 HB3 GLN 76 2HB GLN 76 -5.903 -11.087 -6.370 510 HG3 GLN 76 2HG GLN 76 -8.020 -9.004 -6.984 511 HE21 GLN 76 1HE2 GLN 76 -6.517 -7.755 -8.190 512 HE22 GLN 76 2HE2 GLN 76 -5.774 -8.383 -9.642 513 H ARG 77 H ARG 77 -5.651 -12.850 -4.967 514 HA ARG 77 HA ARG 77 -4.325 -11.959 -2.594 515 HB3 ARG 77 2HB ARG 77 -5.811 -13.254 -1.319 516 HG3 ARG 77 2HG ARG 77 -5.856 -15.244 -3.593 517 HD3 ARG 77 2HD ARG 77 -6.323 -15.802 -0.652 518 HE ARG 77 HE ARG 77 -7.574 -17.010 -2.987 519 HH11 ARG 77 1HH1 ARG 77 -5.907 -18.291 -0.207 520 HH12 ARG 77 2HH1 ARG 77 -7.200 -19.366 0.259 521 HH21 ARG 77 1HH2 ARG 77 -9.309 -18.500 -2.348 522 HH22 ARG 77 2HH2 ARG 77 -8.989 -19.601 -1.024 523 H VAL 78 H VAL 78 -2.587 -11.674 -4.037 524 HA VAL 78 HA VAL 78 -1.788 -13.767 -5.842 525 HB VAL 78 HB VAL 78 0.472 -12.682 -5.901 526 HG11 VAL 78 1HG1 VAL 78 -1.944 -10.976 -6.584 527 HG12 VAL 78 2HG1 VAL 78 -0.308 -10.879 -7.308 528 HG13 VAL 78 3HG1 VAL 78 -1.296 -12.314 -7.550 529 HG21 VAL 78 3HG2 VAL 78 -0.781 -10.360 -4.389 530 HG22 VAL 78 1HG2 VAL 78 0.426 -11.459 -3.707 531 HG23 VAL 78 2HG2 VAL 78 0.850 -10.472 -5.074 532 H LEU 79 H LEU 79 -1.191 -15.711 -5.298 533 HA LEU 79 HA LEU 79 -0.374 -17.478 -4.148 534 HB3 LEU 79 2HB LEU 79 1.814 -17.314 -3.155 535 HG LEU 79 HG LEU 79 1.752 -15.220 -5.381 536 HD11 LEU 79 1HD1 LEU 79 4.077 -15.926 -5.715 537 HD12 LEU 79 2HD1 LEU 79 3.922 -17.071 -4.362 538 HD13 LEU 79 3HD1 LEU 79 3.812 -15.318 -4.072 539 HD21 LEU 79 3HD2 LEU 79 1.886 -18.258 -5.488 540 HD22 LEU 79 1HD2 LEU 79 2.336 -17.188 -6.839 541 HD23 LEU 79 2HD2 LEU 79 0.673 -17.213 -6.242 542 H GLY 80 H GLY 80 -2.319 -15.519 -2.674 543 HA2 GLY 80 1HA GLY 80 -3.444 -16.116 -0.606 544 HA3 GLY 80 2HA GLY 80 -1.953 -16.831 -0.013 545 H VAL 81 H VAL 81 -1.305 -13.797 -1.518 546 HA VAL 81 HA VAL 81 -1.427 -12.328 1.046 547 HB VAL 81 HB VAL 81 0.058 -11.711 -1.513 548 HG11 VAL 81 1HG1 VAL 81 0.609 -10.505 1.195 549 HG12 VAL 81 2HG1 VAL 81 1.059 -9.920 -0.422 550 HG13 VAL 81 3HG1 VAL 81 -0.600 -9.777 0.131 551 HG21 VAL 81 3HG2 VAL 81 1.109 -12.779 1.125 552 HG22 VAL 81 1HG2 VAL 81 0.947 -13.762 -0.345 553 HG23 VAL 81 2HG2 VAL 81 2.071 -12.423 -0.330 554 HA PRO 82 HA PRO 82 -4.953 -10.330 -1.191 555 HB3 PRO 82 2HB PRO 82 -6.505 -11.618 0.041 556 HG3 PRO 82 2HG PRO 82 -5.974 -12.353 2.278 557 HD3 PRO 82 2HD PRO 82 -4.309 -13.230 0.861 558 H ILE 83 H ILE 83 -6.037 -8.208 -0.290 559 HA ILE 83 HA ILE 83 -4.158 -6.585 1.308 560 HB ILE 83 HB ILE 83 -3.567 -6.160 -0.919 561 HG13 ILE 83 2HG1 ILE 83 -3.845 -4.249 0.718 562 HG21 ILE 83 1HG2 ILE 83 -5.969 -4.978 -2.101 563 HG22 ILE 83 2HG2 ILE 83 -4.792 -6.163 -2.745 564 HG23 ILE 83 3HG2 ILE 83 -6.147 -6.704 -1.791 565 HD11 ILE 83 3HD1 ILE 83 -3.956 -3.220 -2.108 566 HD12 ILE 83 1HD1 ILE 83 -3.063 -2.595 -0.726 567 HD13 ILE 83 2HD1 ILE 83 -2.535 -4.113 -1.487 568 H ILE 84 H ILE 84 -5.487 -4.360 1.725 569 HA ILE 84 HA ILE 84 -8.343 -4.886 2.254 570 HB ILE 84 HB ILE 84 -6.392 -3.486 4.137 571 HG13 ILE 84 2HG1 ILE 84 -6.812 -5.193 5.798 572 HG21 ILE 84 1HG2 ILE 84 -9.412 -3.884 4.346 573 HG22 ILE 84 2HG2 ILE 84 -8.400 -3.404 5.715 574 HG23 ILE 84 3HG2 ILE 84 -8.524 -2.354 4.311 575 HD11 ILE 84 3HD1 ILE 84 -7.849 -7.343 5.257 576 HD12 ILE 84 1HD1 ILE 84 -9.044 -6.040 5.218 577 HD13 ILE 84 2HD1 ILE 84 -8.414 -6.707 3.704 578 H VAL 85 H VAL 85 -9.595 -3.061 1.809 579 HA VAL 85 HA VAL 85 -8.767 -1.262 -0.111 580 HB VAL 85 HB VAL 85 -10.974 -0.269 0.226 581 HG11 VAL 85 1HG1 VAL 85 -11.163 -3.240 0.589 582 HG12 VAL 85 2HG1 VAL 85 -12.348 -2.161 -0.158 583 HG13 VAL 85 3HG1 VAL 85 -10.773 -2.398 -0.924 584 HG21 VAL 85 3HG2 VAL 85 -11.257 -1.977 2.751 585 HG22 VAL 85 1HG2 VAL 85 -11.031 -0.211 2.745 586 HG23 VAL 85 2HG2 VAL 85 -12.469 -0.908 2.020 587 H GLN 86 H GLN 86 -7.979 -0.817 3.188 588 HA GLN 86 HA GLN 86 -8.809 1.828 3.622 589 HB3 GLN 86 2HB GLN 86 -6.736 1.962 5.199 590 HG3 GLN 86 2HG GLN 86 -8.469 -0.429 5.840 591 HE21 GLN 86 1HE2 GLN 86 -6.971 2.693 6.980 592 HE22 GLN 86 2HE2 GLN 86 -7.074 2.314 8.673 593 H ALA 87 H ALA 87 -5.699 0.878 2.103 594 HA ALA 87 HA ALA 87 -4.162 1.982 1.113 595 HB1 ALA 87 1HB ALA 87 -4.564 3.961 -0.160 596 HB2 ALA 87 2HB ALA 87 -5.964 2.878 -0.293 597 HB3 ALA 87 3HB ALA 87 -6.057 4.303 0.758 598 H SER 88 H SER 88 -2.969 4.200 1.355 599 HA SER 88 HA SER 88 -2.622 4.739 4.287 600 HB3 SER 88 2HB SER 88 -0.884 5.876 2.110 601 HG SER 88 HG SER 88 -0.376 6.585 4.087 602 H GLN 89 H GLN 89 -4.199 6.270 4.852 603 HA GLN 89 HA GLN 89 -4.656 8.504 2.988 604 HB3 GLN 89 2HB GLN 89 -6.645 7.737 2.610 605 HG3 GLN 89 2HG GLN 89 -6.229 5.653 3.660 606 HE21 GLN 89 1HE2 GLN 89 -8.733 6.771 6.005 607 HE22 GLN 89 2HE2 GLN 89 -7.779 6.541 7.434 608 H ALA 90 H ALA 90 -5.714 10.386 4.242 609 HA ALA 90 HA ALA 90 -4.109 11.012 6.604 610 HB1 ALA 90 1HB ALA 90 -4.863 12.870 5.166 611 HB2 ALA 90 2HB ALA 90 -6.566 12.372 5.424 612 HB3 ALA 90 3HB ALA 90 -5.610 12.950 6.790 613 H GLU 91 H GLU 91 -4.627 10.277 8.540 614 HA GLU 91 HA GLU 91 -7.286 9.164 9.136 615 HB3 GLU 91 2HB GLU 91 -4.790 9.346 10.878 616 HG3 GLU 91 2HG GLU 91 -5.796 7.023 11.533 617 H LYS 92 H LYS 92 -7.820 11.495 8.458 618 HA LYS 92 HA LYS 92 -8.207 13.160 10.865 619 HB3 LYS 92 2HB LYS 92 -7.548 15.226 9.753 620 HG3 LYS 92 2HG LYS 92 -5.255 13.309 9.217 621 HD3 LYS 92 2HD LYS 92 -5.058 15.845 8.662 622 HE3 LYS 92 2HE LYS 92 -5.105 15.782 11.705 623 HZ1 LYS 92 3HZ LYS 92 -3.994 17.756 11.804 624 HZ2 LYS 92 1HZ LYS 92 -4.161 18.131 10.212 625 HZ3 LYS 92 2HZ LYS 92 -3.113 16.955 10.672 626 H ASN 93 H ASN 93 -9.839 14.871 10.370 627 HA ASN 93 HA ASN 93 -11.209 15.024 7.904 628 HB3 ASN 93 2HB ASN 93 -13.053 14.395 10.230 629 HD21 ASN 93 1HD2 ASN 93 -14.643 15.899 9.133 630 HD22 ASN 93 2HD2 ASN 93 -15.335 15.328 7.622 631 H ARG 94 H ARG 94 -12.049 17.308 7.970 632 HA ARG 94 HA ARG 94 -12.507 18.596 10.434 633 HB3 ARG 94 2HB ARG 94 -10.118 19.716 8.889 634 HG3 ARG 94 2HG ARG 94 -11.440 20.330 11.558 635 HD3 ARG 94 2HD ARG 94 -9.216 21.946 11.521 636 HE ARG 94 HE ARG 94 -10.142 19.919 13.179 637 HH11 ARG 94 1HH1 ARG 94 -6.900 21.100 12.271 638 HH12 ARG 94 2HH1 ARG 94 -6.152 20.557 13.726 639 HH21 ARG 94 1HH2 ARG 94 -9.187 19.220 15.049 640 HH22 ARG 94 2HH2 ARG 94 -7.511 19.476 15.416 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -15.485 15.949 2.496 2 HA2 GLY 1 1HA GLY 1 -15.704 16.481 0.148 3 HA3 GLY 1 2HA GLY 1 -14.612 17.642 0.924 4 H HIS 2 H HIS 2 -14.616 14.525 -0.873 5 HA HIS 2 HA HIS 2 -11.899 14.928 -1.917 6 HB3 HIS 2 2HB HIS 2 -13.816 13.061 -3.255 7 HD1 HIS 2 1HD HIS 2 -11.173 11.631 -1.015 8 HD2 HIS 2 2HD HIS 2 -11.583 13.085 -4.938 9 HE1 HIS 2 1HE HIS 2 -9.118 10.838 -2.286 10 H MET 3 H MET 3 -11.737 16.690 -3.278 11 HA MET 3 HA MET 3 -13.547 16.848 -5.557 12 HB3 MET 3 2HB MET 3 -13.838 19.337 -5.351 13 HG3 MET 3 2HG MET 3 -15.230 17.806 -3.130 14 HE1 MET 3 3HE MET 3 -14.558 20.820 -2.497 15 HE2 MET 3 1HE MET 3 -16.156 21.389 -1.983 16 HE3 MET 3 2HE MET 3 -15.601 19.773 -1.506 17 H ASN 4 H ASN 4 -11.202 19.196 -4.111 18 HA ASN 4 HA ASN 4 -9.843 19.112 -6.742 19 HB3 ASN 4 2HB ASN 4 -9.641 21.141 -4.482 20 HD21 ASN 4 1HD2 ASN 4 -9.539 20.987 -8.147 21 HD22 ASN 4 2HD2 ASN 4 -8.127 22.012 -8.235 22 H LEU 5 H LEU 5 -7.658 18.745 -6.975 23 HA LEU 5 HA LEU 5 -6.516 16.866 -5.189 24 HB3 LEU 5 2HB LEU 5 -4.747 18.141 -7.245 25 HG LEU 5 HG LEU 5 -4.473 15.935 -8.125 26 HD11 LEU 5 1HD1 LEU 5 -4.371 15.727 -5.086 27 HD12 LEU 5 2HD1 LEU 5 -3.136 16.476 -6.118 28 HD13 LEU 5 3HD1 LEU 5 -3.474 14.741 -6.262 29 HD21 LEU 5 3HD2 LEU 5 -6.478 14.857 -6.106 30 HD22 LEU 5 1HD2 LEU 5 -5.649 13.980 -7.395 31 HD23 LEU 5 2HD2 LEU 5 -6.869 15.209 -7.793 32 H THR 6 H THR 6 -5.523 17.404 -3.197 33 HA THR 6 HA THR 6 -4.430 20.073 -2.847 34 HB THR 6 HB THR 6 -3.924 19.053 -0.536 35 HG1 THR 6 1HG THR 6 -5.033 17.155 -0.087 36 HG21 THR 6 3HG2 THR 6 -5.927 20.424 -0.922 37 HG22 THR 6 1HG2 THR 6 -6.286 19.089 0.171 38 HG23 THR 6 2HG2 THR 6 -6.810 19.015 -1.523 39 HA PRO 7 HA PRO 7 -0.223 19.241 -3.798 40 HB3 PRO 7 2HB PRO 7 0.539 21.204 -2.992 41 HG3 PRO 7 2HG PRO 7 -0.486 22.202 -1.113 42 HD3 PRO 7 2HD PRO 7 -2.285 21.549 -2.501 43 H GLU 8 H GLU 8 -0.774 18.381 -0.284 44 HA GLU 8 HA GLU 8 1.328 16.407 -0.320 45 HB3 GLU 8 2HB GLU 8 0.333 15.680 1.823 46 HG3 GLU 8 2HG GLU 8 0.513 18.719 1.696 47 H GLU 9 H GLU 9 -2.074 16.310 -1.300 48 HA GLU 9 HA GLU 9 -2.461 13.476 -1.108 49 HB3 GLU 9 2HB GLU 9 -3.834 14.122 -3.369 50 HG3 GLU 9 2HG GLU 9 -4.851 14.818 -0.593 51 H ARG 10 H ARG 10 -1.282 15.541 -3.816 52 HA ARG 10 HA ARG 10 -0.802 13.393 -5.619 53 HB3 ARG 10 2HB ARG 10 0.651 16.056 -5.383 54 HG3 ARG 10 2HG ARG 10 0.236 14.204 -7.767 55 HD3 ARG 10 2HD ARG 10 1.527 16.947 -7.544 56 HE ARG 10 HE ARG 10 2.493 15.089 -9.107 57 HH11 ARG 10 1HH1 ARG 10 0.056 17.377 -10.298 58 HH12 ARG 10 2HH1 ARG 10 0.929 17.715 -11.767 59 HH21 ARG 10 1HH2 ARG 10 3.381 15.230 -11.080 60 HH22 ARG 10 2HH2 ARG 10 2.760 16.310 -12.312 61 H ASP 11 H ASP 11 1.082 14.545 -2.904 62 HA ASP 11 HA ASP 11 3.576 13.239 -3.702 63 HB3 ASP 11 2HB ASP 11 4.042 14.166 -1.249 64 H ALA 12 H ALA 12 0.755 12.442 -1.835 65 HA ALA 12 HA ALA 12 1.996 10.095 -0.576 66 HB1 ALA 12 1HB ALA 12 -0.954 10.784 -0.905 67 HB2 ALA 12 2HB ALA 12 -0.258 9.436 0.037 68 HB3 ALA 12 3HB ALA 12 0.039 11.096 0.514 69 H ARG 13 H ARG 13 -0.849 9.991 -2.719 70 HA ARG 13 HA ARG 13 -1.473 8.340 -4.262 71 HB3 ARG 13 2HB ARG 13 0.568 7.908 -5.943 72 HG3 ARG 13 2HG ARG 13 -1.258 8.905 -6.753 73 HD3 ARG 13 2HD ARG 13 -1.764 11.460 -6.313 74 HE ARG 13 HE ARG 13 -3.388 9.682 -6.031 75 HH11 ARG 13 1HH1 ARG 13 -2.305 11.335 -3.106 76 HH12 ARG 13 2HH1 ARG 13 -3.554 10.657 -2.108 77 HH21 ARG 13 1HH2 ARG 13 -4.988 8.685 -4.639 78 HH22 ARG 13 2HH2 ARG 13 -5.059 9.155 -2.998 79 H THR 14 H THR 14 -0.877 7.417 -1.699 80 HA THR 14 HA THR 14 0.802 5.032 -2.171 81 HB THR 14 HB THR 14 -0.218 6.353 0.392 82 HG1 THR 14 1HG THR 14 1.932 7.166 0.487 83 HG21 THR 14 3HG2 THR 14 1.951 4.260 -0.074 84 HG22 THR 14 1HG2 THR 14 0.434 4.055 0.841 85 HG23 THR 14 2HG2 THR 14 1.699 5.144 1.437 86 H VAL 15 H VAL 15 0.063 2.939 -1.703 87 HA VAL 15 HA VAL 15 -2.786 2.663 -0.915 88 HB VAL 15 HB VAL 15 -2.960 0.647 -2.258 89 HG11 VAL 15 1HG1 VAL 15 -3.293 1.815 -4.382 90 HG12 VAL 15 2HG1 VAL 15 -3.750 2.869 -3.017 91 HG13 VAL 15 3HG1 VAL 15 -2.203 3.116 -3.878 92 HG21 VAL 15 3HG2 VAL 15 -0.596 -0.024 -2.547 93 HG22 VAL 15 1HG2 VAL 15 -1.398 0.167 -4.104 94 HG23 VAL 15 2HG2 VAL 15 -0.300 1.429 -3.517 95 H PHE 16 H PHE 16 -3.176 1.390 0.704 96 HA PHE 16 HA PHE 16 -0.866 0.486 2.294 97 HB3 PHE 16 2HB PHE 16 -3.653 1.436 2.981 98 HD1 PHE 16 1HD PHE 16 -0.503 -0.029 4.413 99 HD2 PHE 16 2HD PHE 16 -4.585 1.146 5.109 100 HE1 PHE 16 1HE PHE 16 -0.480 -1.296 6.485 101 HE2 PHE 16 2HE PHE 16 -4.525 -0.036 7.303 102 HZ PHE 16 HZ PHE 16 -2.487 -1.349 7.945 103 H CYS 17 H CYS 17 -0.516 -1.583 2.130 104 HA CYS 17 HA CYS 17 -2.620 -3.558 1.560 105 HB3 CYS 17 2HB CYS 17 -0.789 -5.079 1.179 106 HG CYS 17 HG CYS 17 0.239 -4.295 -0.927 107 H MET 18 H MET 18 -3.657 -4.461 3.345 108 HA MET 18 HA MET 18 -2.126 -4.696 5.870 109 HB3 MET 18 2HB MET 18 -5.008 -3.657 5.646 110 HG3 MET 18 2HG MET 18 -2.961 -3.629 7.899 111 HE1 MET 18 3HE MET 18 -6.803 -3.991 7.802 112 HE2 MET 18 1HE MET 18 -7.398 -2.462 8.485 113 HE3 MET 18 2HE MET 18 -6.751 -2.501 6.834 114 H GLN 19 H GLN 19 -2.299 -6.880 4.396 115 HA GLN 19 HA GLN 19 -3.946 -8.622 6.023 116 HB3 GLN 19 2HB GLN 19 -4.480 -8.680 3.016 117 HG3 GLN 19 2HG GLN 19 -5.783 -9.835 5.528 118 HE21 GLN 19 1HE2 GLN 19 -6.531 -8.642 2.217 119 HE22 GLN 19 2HE2 GLN 19 -8.235 -9.019 2.334 120 H LEU 20 H LEU 20 -1.151 -8.112 5.629 121 HA LEU 20 HA LEU 20 -0.180 -10.042 3.716 122 HB3 LEU 20 2HB LEU 20 1.960 -9.181 3.910 123 HG LEU 20 HG LEU 20 0.260 -7.429 2.969 124 HD11 LEU 20 1HD1 LEU 20 -0.783 -6.205 4.274 125 HD12 LEU 20 2HD1 LEU 20 0.708 -5.442 4.868 126 HD13 LEU 20 3HD1 LEU 20 0.030 -6.874 5.684 127 HD21 LEU 20 3HD2 LEU 20 1.998 -5.752 2.788 128 HD22 LEU 20 1HD2 LEU 20 2.810 -7.311 2.787 129 HD23 LEU 20 2HD2 LEU 20 2.815 -6.343 4.251 130 H ALA 21 H ALA 21 1.766 -11.136 4.310 131 HA ALA 21 HA ALA 21 0.978 -13.120 6.418 132 HB1 ALA 21 1HB ALA 21 0.859 -13.982 4.111 133 HB2 ALA 21 2HB ALA 21 2.566 -13.536 3.833 134 HB3 ALA 21 3HB ALA 21 2.146 -14.786 5.008 135 H ALA 22 H ALA 22 2.570 -14.088 7.642 136 HA ALA 22 HA ALA 22 4.540 -12.413 8.692 137 HB1 ALA 22 1HB ALA 22 4.838 -14.226 10.268 138 HB2 ALA 22 2HB ALA 22 3.129 -14.101 9.880 139 HB3 ALA 22 3HB ALA 22 4.114 -15.398 9.145 140 H ARG 23 H ARG 23 5.056 -13.515 5.827 141 HA ARG 23 HA ARG 23 7.936 -13.763 6.067 142 HB3 ARG 23 2HB ARG 23 7.662 -15.992 6.243 143 HG3 ARG 23 2HG ARG 23 6.230 -16.662 3.778 144 HD3 ARG 23 2HD ARG 23 4.739 -17.739 5.712 145 HE ARG 23 HE ARG 23 7.014 -18.689 4.424 146 HH11 ARG 23 1HH1 ARG 23 5.543 -19.201 7.657 147 HH12 ARG 23 2HH1 ARG 23 5.985 -20.891 7.673 148 HH21 ARG 23 1HH2 ARG 23 7.373 -21.016 4.488 149 HH22 ARG 23 2HH2 ARG 23 7.168 -21.830 6.007 150 H ILE 24 H ILE 24 5.895 -11.793 4.950 151 HA ILE 24 HA ILE 24 6.119 -12.015 2.061 152 HB ILE 24 HB ILE 24 4.178 -11.065 3.351 153 HG13 ILE 24 2HG1 ILE 24 5.386 -9.142 1.331 154 HG21 ILE 24 1HG2 ILE 24 5.537 -9.788 5.054 155 HG22 ILE 24 2HG2 ILE 24 5.915 -8.623 3.783 156 HG23 ILE 24 3HG2 ILE 24 4.247 -8.841 4.300 157 HD11 ILE 24 3HD1 ILE 24 3.648 -10.269 -0.155 158 HD12 ILE 24 1HD1 ILE 24 5.089 -11.258 0.214 159 HD13 ILE 24 2HD1 ILE 24 3.562 -11.571 1.048 160 H ARG 25 H ARG 25 7.265 -10.333 0.782 161 HA ARG 25 HA ARG 25 9.694 -9.159 2.062 162 HB3 ARG 25 2HB ARG 25 10.033 -9.295 -0.752 163 HG3 ARG 25 2HG ARG 25 11.394 -11.216 1.183 164 HD3 ARG 25 2HD ARG 25 11.858 -10.184 -1.621 165 HE ARG 25 HE ARG 25 13.997 -10.420 0.328 166 HH11 ARG 25 1HH1 ARG 25 13.266 -11.062 -3.090 167 HH12 ARG 25 2HH1 ARG 25 14.694 -10.263 -3.685 168 HH21 ARG 25 1HH2 ARG 25 16.028 -9.695 -0.441 169 HH22 ARG 25 2HH2 ARG 25 16.408 -9.783 -2.114 170 HA PRO 26 HA PRO 26 7.904 -5.369 0.631 171 HB3 PRO 26 2HB PRO 26 9.714 -4.077 1.167 172 HG3 PRO 26 2HG PRO 26 11.889 -4.977 1.107 173 HD3 PRO 26 2HD PRO 26 10.613 -6.657 2.197 174 H ARG 27 H ARG 27 10.036 -6.882 -1.820 175 HA ARG 27 HA ARG 27 8.926 -5.592 -4.029 176 HB3 ARG 27 2HB ARG 27 10.029 -8.418 -4.159 177 HG3 ARG 27 2HG ARG 27 10.803 -6.164 -6.024 178 HD3 ARG 27 2HD ARG 27 10.237 -8.042 -7.712 179 HE ARG 27 HE ARG 27 12.598 -7.705 -6.207 180 HH11 ARG 27 1HH1 ARG 27 10.995 -10.118 -8.250 181 HH12 ARG 27 2HH1 ARG 27 12.383 -10.629 -9.094 182 HH21 ARG 27 1HH2 ARG 27 14.494 -8.240 -7.382 183 HH22 ARG 27 2HH2 ARG 27 14.525 -9.559 -8.497 184 H ASP 28 H ASP 28 7.687 -8.466 -2.314 185 HA ASP 28 HA ASP 28 5.981 -9.460 -4.326 186 HB3 ASP 28 2HB ASP 28 4.610 -10.294 -2.357 187 H LEU 29 H LEU 29 5.701 -6.551 -2.364 188 HA LEU 29 HA LEU 29 2.832 -6.230 -3.059 189 HB3 LEU 29 2HB LEU 29 2.813 -4.294 -1.701 190 HG LEU 29 HG LEU 29 2.965 -5.032 0.439 191 HD11 LEU 29 1HD1 LEU 29 3.043 -7.724 -0.991 192 HD12 LEU 29 2HD1 LEU 29 1.603 -6.695 -0.734 193 HD13 LEU 29 3HD1 LEU 29 2.435 -7.413 0.624 194 HD21 LEU 29 3HD2 LEU 29 5.410 -5.225 0.539 195 HD22 LEU 29 1HD2 LEU 29 5.307 -6.824 -0.215 196 HD23 LEU 29 2HD2 LEU 29 4.611 -6.547 1.392 197 H GLU 30 H GLU 30 6.085 -4.820 -3.745 198 HA GLU 30 HA GLU 30 4.989 -2.667 -5.240 199 HB3 GLU 30 2HB GLU 30 7.412 -3.055 -4.197 200 HG3 GLU 30 2HG GLU 30 7.900 -3.576 -7.150 201 H GLU 31 H GLU 31 5.944 -5.966 -6.192 202 HA GLU 31 HA GLU 31 5.746 -5.401 -9.015 203 HB3 GLU 31 2HB GLU 31 5.760 -8.026 -9.099 204 HG3 GLU 31 2HG GLU 31 8.161 -8.040 -8.392 205 H PHE 32 H PHE 32 3.502 -6.413 -6.606 206 HA PHE 32 HA PHE 32 1.538 -7.640 -8.238 207 HB3 PHE 32 2HB PHE 32 1.045 -5.882 -5.806 208 HD1 PHE 32 1HD PHE 32 -0.350 -8.408 -8.259 209 HD2 PHE 32 2HD PHE 32 -1.063 -6.171 -4.628 210 HE1 PHE 32 1HE PHE 32 -2.667 -8.973 -8.378 211 HE2 PHE 32 2HE PHE 32 -3.438 -6.820 -4.728 212 HZ PHE 32 HZ PHE 32 -4.273 -8.204 -6.587 213 H PHE 33 H PHE 33 2.195 -4.183 -7.689 214 HA PHE 33 HA PHE 33 -0.066 -3.454 -9.459 215 HB3 PHE 33 2HB PHE 33 0.313 -1.202 -8.643 216 HD1 PHE 33 2HD PHE 33 -1.903 -2.513 -7.983 217 HD2 PHE 33 1HD PHE 33 1.671 -2.439 -5.550 218 HE1 PHE 33 2HE PHE 33 -3.190 -3.369 -6.039 219 HE2 PHE 33 1HE PHE 33 0.383 -3.267 -3.624 220 HZ PHE 33 HZ PHE 33 -2.035 -3.787 -3.885 221 H SER 34 H SER 34 3.121 -4.250 -9.979 222 HA SER 34 HA SER 34 4.078 -2.392 -11.868 223 HB3 SER 34 2HB SER 34 4.518 -5.406 -11.794 224 HG SER 34 HG SER 34 6.722 -4.665 -11.633 225 H THR 35 H THR 35 1.491 -4.740 -12.127 226 HA THR 35 HA THR 35 1.465 -4.893 -14.996 227 HB THR 35 HB THR 35 0.629 -6.642 -13.519 228 HG1 THR 35 1HG THR 35 -0.127 -6.532 -15.586 229 HG21 THR 35 3HG2 THR 35 -0.471 -5.142 -11.790 230 HG22 THR 35 1HG2 THR 35 -1.426 -6.537 -12.328 231 HG23 THR 35 2HG2 THR 35 -1.803 -4.939 -12.942 232 H VAL 36 H VAL 36 0.569 -2.291 -12.892 233 HA VAL 36 HA VAL 36 -1.114 -1.119 -15.057 234 HB VAL 36 HB VAL 36 -2.518 -0.120 -13.253 235 HG11 VAL 36 1HG1 VAL 36 -3.299 -1.932 -14.653 236 HG12 VAL 36 2HG1 VAL 36 -2.553 -3.131 -13.620 237 HG13 VAL 36 3HG1 VAL 36 -3.892 -2.176 -12.998 238 HG21 VAL 36 3HG2 VAL 36 -1.382 -2.292 -11.448 239 HG22 VAL 36 1HG2 VAL 36 -1.016 -0.556 -11.296 240 HG23 VAL 36 2HG2 VAL 36 -2.676 -1.137 -11.076 241 H GLY 37 H GLY 37 1.801 -0.677 -13.551 242 HA2 GLY 37 1HA GLY 37 2.271 1.729 -14.721 243 HA3 GLY 37 2HA GLY 37 1.689 2.170 -13.103 244 H LYS 38 H LYS 38 3.693 2.812 -12.186 245 HA LYS 38 HA LYS 38 5.568 0.584 -11.716 246 HB3 LYS 38 2HB LYS 38 6.195 2.651 -13.401 247 HG3 LYS 38 2HG LYS 38 7.090 3.707 -10.764 248 HD3 LYS 38 2HD LYS 38 8.004 5.496 -12.327 249 HE3 LYS 38 2HE LYS 38 10.089 4.286 -12.905 250 HZ1 LYS 38 3HZ LYS 38 10.659 3.574 -10.684 251 HZ2 LYS 38 1HZ LYS 38 9.101 3.620 -10.178 252 HZ3 LYS 38 2HZ LYS 38 9.872 5.002 -10.651 253 H VAL 39 H VAL 39 6.767 0.948 -9.718 254 HA VAL 39 HA VAL 39 5.090 2.433 -7.728 255 HB VAL 39 HB VAL 39 7.231 0.323 -7.434 256 HG11 VAL 39 1HG1 VAL 39 6.791 0.573 -4.962 257 HG12 VAL 39 2HG1 VAL 39 7.711 1.922 -5.672 258 HG13 VAL 39 3HG1 VAL 39 5.977 2.102 -5.309 259 HG21 VAL 39 3HG2 VAL 39 4.860 -0.351 -7.926 260 HG22 VAL 39 1HG2 VAL 39 5.327 -0.801 -6.289 261 HG23 VAL 39 2HG2 VAL 39 4.312 0.617 -6.566 262 H ARG 40 H ARG 40 5.810 4.149 -6.559 263 HA ARG 40 HA ARG 40 8.013 5.698 -7.741 264 HB3 ARG 40 2HB ARG 40 5.901 6.345 -5.652 265 HG3 ARG 40 2HG ARG 40 7.972 7.483 -5.019 266 HD3 ARG 40 2HD ARG 40 8.815 7.754 -7.503 267 HE ARG 40 HE ARG 40 7.558 9.238 -8.686 268 HH11 ARG 40 1HH1 ARG 40 7.833 10.556 -5.363 269 HH12 ARG 40 2HH1 ARG 40 7.064 12.049 -5.743 270 HH21 ARG 40 1HH2 ARG 40 6.644 11.224 -9.233 271 HH22 ARG 40 2HH2 ARG 40 6.431 12.458 -8.047 272 H ASP 41 H ASP 41 6.938 4.465 -4.495 273 HA ASP 41 HA ASP 41 9.754 4.048 -3.743 274 HB3 ASP 41 2HB ASP 41 9.027 5.206 -1.483 275 H VAL 42 H VAL 42 9.992 2.328 -2.419 276 HA VAL 42 HA VAL 42 7.591 0.684 -1.845 277 HB VAL 42 HB VAL 42 10.560 -0.061 -1.941 278 HG11 VAL 42 1HG1 VAL 42 9.672 -2.364 -2.254 279 HG12 VAL 42 2HG1 VAL 42 9.183 -1.674 -0.699 280 HG13 VAL 42 3HG1 VAL 42 8.022 -1.757 -2.042 281 HG21 VAL 42 3HG2 VAL 42 8.507 -0.458 -4.153 282 HG22 VAL 42 1HG2 VAL 42 9.834 0.725 -4.210 283 HG23 VAL 42 2HG2 VAL 42 10.184 -0.990 -4.161 284 H ARG 43 H ARG 43 7.032 0.276 0.303 285 HA ARG 43 HA ARG 43 8.929 0.855 2.487 286 HB3 ARG 43 2HB ARG 43 6.397 2.512 2.077 287 HG3 ARG 43 2HG ARG 43 8.569 2.510 4.207 288 HD3 ARG 43 2HD ARG 43 6.387 4.572 3.688 289 HE ARG 43 HE ARG 43 7.233 3.946 6.103 290 HH11 ARG 43 1HH1 ARG 43 8.217 6.785 4.136 291 HH12 ARG 43 2HH1 ARG 43 8.682 7.689 5.546 292 HH21 ARG 43 1HH2 ARG 43 8.422 4.912 7.725 293 HH22 ARG 43 2HH2 ARG 43 8.936 6.566 7.603 294 H MET 44 H MET 44 8.665 -1.010 3.708 295 HA MET 44 HA MET 44 5.895 -1.600 4.607 296 HB3 MET 44 2HB MET 44 6.423 -3.130 2.784 297 HG3 MET 44 2HG MET 44 8.994 -3.256 3.569 298 HE1 MET 44 3HE MET 44 6.537 -6.344 4.259 299 HE2 MET 44 1HE MET 44 7.861 -6.816 3.161 300 HE3 MET 44 2HE MET 44 7.775 -7.512 4.796 301 H ILE 45 H ILE 45 5.708 -2.874 6.599 302 HA ILE 45 HA ILE 45 7.979 -2.271 8.419 303 HB ILE 45 HB ILE 45 5.121 -1.708 9.239 304 HG13 ILE 45 2HG1 ILE 45 6.853 0.143 7.596 305 HG21 ILE 45 1HG2 ILE 45 6.245 -0.337 10.901 306 HG22 ILE 45 2HG2 ILE 45 7.036 -1.926 10.879 307 HG23 ILE 45 3HG2 ILE 45 7.808 -0.554 10.080 308 HD11 ILE 45 3HD1 ILE 45 4.641 0.945 6.847 309 HD12 ILE 45 1HD1 ILE 45 4.864 -0.765 6.446 310 HD13 ILE 45 2HD1 ILE 45 3.862 -0.304 7.831 311 H SER 46 H SER 46 8.268 -4.605 7.916 312 HA SER 46 HA SER 46 6.371 -6.350 9.396 313 HB3 SER 46 2HB SER 46 8.372 -7.303 7.337 314 HG SER 46 HG SER 46 7.287 -8.837 8.623 315 H ASP 47 H ASP 47 8.867 -4.731 10.327 316 HA ASP 47 HA ASP 47 9.836 -6.829 12.162 317 HB3 ASP 47 2HB ASP 47 12.127 -5.329 11.758 318 H ARG 48 H ARG 48 9.596 -6.005 14.185 319 HA ARG 48 HA ARG 48 10.441 -3.241 14.567 320 HB3 ARG 48 2HB ARG 48 8.837 -2.983 16.484 321 HG3 ARG 48 2HG ARG 48 7.186 -2.937 13.992 322 HD3 ARG 48 2HD ARG 48 6.779 -1.762 16.319 323 HE ARG 48 HE ARG 48 8.807 -0.584 16.690 324 HH11 ARG 48 1HH1 ARG 48 6.916 0.816 13.969 325 HH12 ARG 48 2HH1 ARG 48 8.106 2.023 13.630 326 HH21 ARG 48 1HH2 ARG 48 10.282 1.174 16.310 327 HH22 ARG 48 2HH2 ARG 48 9.884 2.398 15.187 328 H ASN 49 H ASN 49 9.292 -6.015 16.408 329 HA ASN 49 HA ASN 49 11.516 -7.042 17.500 330 HB3 ASN 49 2HB ASN 49 12.296 -5.042 18.578 331 HD21 ASN 49 1HD2 ASN 49 11.249 -3.023 18.258 332 HD22 ASN 49 2HD2 ASN 49 10.159 -2.361 19.441 333 H SER 50 H SER 50 8.243 -6.826 17.330 334 HA SER 50 HA SER 50 7.576 -8.413 19.744 335 HB3 SER 50 2HB SER 50 5.699 -6.275 19.481 336 HG SER 50 HG SER 50 7.796 -6.718 21.367 337 H ARG 51 H ARG 51 4.833 -8.251 19.596 338 HA ARG 51 HA ARG 51 4.186 -9.739 17.075 339 HB3 ARG 51 2HB ARG 51 2.472 -10.927 18.412 340 HG3 ARG 51 2HG ARG 51 5.221 -11.406 19.607 341 HD3 ARG 51 2HD ARG 51 2.867 -13.282 19.071 342 HE ARG 51 HE ARG 51 5.477 -13.593 20.479 343 HH11 ARG 51 1HH1 ARG 51 2.491 -15.324 19.454 344 HH12 ARG 51 2HH1 ARG 51 3.362 -16.826 19.303 345 HH21 ARG 51 1HH2 ARG 51 6.359 -15.615 20.648 346 HH22 ARG 51 2HH2 ARG 51 5.370 -17.033 20.415 347 H ARG 52 H ARG 52 3.371 -7.981 16.015 348 HA ARG 52 HA ARG 52 1.362 -6.205 17.315 349 HB3 ARG 52 2HB ARG 52 2.808 -4.369 16.097 350 HG3 ARG 52 2HG ARG 52 3.827 -5.684 18.645 351 HD3 ARG 52 2HD ARG 52 4.199 -2.834 17.609 352 HE ARG 52 HE ARG 52 5.493 -3.621 20.085 353 HH11 ARG 52 1HH1 ARG 52 2.685 -1.832 18.871 354 HH12 ARG 52 2HH1 ARG 52 2.028 -1.523 20.414 355 HH21 ARG 52 1HH2 ARG 52 4.680 -3.213 22.091 356 HH22 ARG 52 2HH2 ARG 52 3.196 -2.336 22.360 357 H SER 53 H SER 53 0.669 -4.624 15.249 358 HA SER 53 HA SER 53 0.128 -6.285 12.972 359 HB3 SER 53 2HB SER 53 -1.351 -4.501 13.309 360 HG SER 53 HG SER 53 0.883 -2.777 13.232 361 H LYS 54 H LYS 54 2.350 -7.148 12.815 362 HA LYS 54 HA LYS 54 4.217 -5.533 11.284 363 HB3 LYS 54 2HB LYS 54 5.363 -6.858 12.711 364 HG3 LYS 54 2HG LYS 54 4.506 -9.473 11.518 365 HD3 LYS 54 2HD LYS 54 4.439 -10.056 14.015 366 HE3 LYS 54 2HE LYS 54 7.082 -9.126 12.808 367 HZ1 LYS 54 3HZ LYS 54 7.852 -10.911 14.468 368 HZ2 LYS 54 1HZ LYS 54 6.505 -10.563 15.309 369 HZ3 LYS 54 2HZ LYS 54 7.609 -9.382 15.047 370 H GLY 55 H GLY 55 1.420 -7.148 10.555 371 HA2 GLY 55 1HA GLY 55 2.097 -7.751 7.741 372 HA3 GLY 55 2HA GLY 55 0.560 -8.041 8.582 373 H ILE 56 H ILE 56 2.734 -5.406 7.534 374 HA ILE 56 HA ILE 56 0.528 -3.859 6.431 375 HB ILE 56 HB ILE 56 1.454 -1.771 7.629 376 HG13 ILE 56 2HG1 ILE 56 3.425 -2.863 8.637 377 HG21 ILE 56 1HG2 ILE 56 -0.795 -3.020 7.983 378 HG22 ILE 56 2HG2 ILE 56 -0.067 -3.674 9.453 379 HG23 ILE 56 3HG2 ILE 56 -0.265 -1.916 9.271 380 HD11 ILE 56 3HD1 ILE 56 2.460 -0.748 9.614 381 HD12 ILE 56 1HD1 ILE 56 1.554 -1.750 10.769 382 HD13 ILE 56 2HD1 ILE 56 3.320 -1.750 10.789 383 H ALA 57 H ALA 57 1.167 -2.708 4.637 384 HA ALA 57 HA ALA 57 3.879 -1.718 4.403 385 HB1 ALA 57 1HB ALA 57 4.199 -2.641 2.123 386 HB2 ALA 57 2HB ALA 57 4.023 -3.994 3.268 387 HB3 ALA 57 3HB ALA 57 2.669 -3.503 2.227 388 H TYR 58 H TYR 58 3.893 0.088 2.919 389 HA TYR 58 HA TYR 58 1.255 0.968 1.833 390 HB3 TYR 58 2HB TYR 58 1.933 3.219 2.486 391 HD1 TYR 58 2HD TYR 58 3.183 1.053 5.234 392 HD2 TYR 58 1HD TYR 58 -0.036 3.479 3.758 393 HE1 TYR 58 2HE TYR 58 2.054 0.838 7.411 394 HE2 TYR 58 1HE TYR 58 -1.207 3.290 5.926 395 HH TYR 58 HH TYR 58 0.245 1.538 8.737 396 H VAL 59 H VAL 59 1.626 0.722 -0.397 397 HA VAL 59 HA VAL 59 4.373 1.059 -1.491 398 HB VAL 59 HB VAL 59 1.835 0.191 -2.924 399 HG11 VAL 59 1HG1 VAL 59 3.684 1.023 -4.347 400 HG12 VAL 59 2HG1 VAL 59 4.800 -0.138 -3.590 401 HG13 VAL 59 3HG1 VAL 59 3.431 -0.713 -4.575 402 HG21 VAL 59 3HG2 VAL 59 2.303 -1.494 -1.157 403 HG22 VAL 59 1HG2 VAL 59 2.600 -2.121 -2.778 404 HG23 VAL 59 2HG2 VAL 59 3.971 -1.641 -1.760 405 H GLU 60 H GLU 60 4.960 3.068 -2.217 406 HA GLU 60 HA GLU 60 2.848 5.103 -2.414 407 HB3 GLU 60 2HB GLU 60 4.623 6.688 -2.269 408 HG3 GLU 60 2HG GLU 60 5.396 4.440 -0.331 409 H PHE 61 H PHE 61 2.075 5.623 -4.512 410 HA PHE 61 HA PHE 61 3.512 4.344 -6.746 411 HB3 PHE 61 2HB PHE 61 0.822 5.508 -7.259 412 HD1 PHE 61 2HD PHE 61 2.235 2.172 -6.483 413 HD2 PHE 61 1HD PHE 61 0.737 4.766 -9.568 414 HE1 PHE 61 2HE PHE 61 2.442 0.320 -8.158 415 HE2 PHE 61 1HE PHE 61 0.858 2.913 -11.199 416 HZ PHE 61 HZ PHE 61 1.695 0.667 -10.499 417 H VAL 62 H VAL 62 3.378 5.355 -8.844 418 HA VAL 62 HA VAL 62 4.488 7.993 -8.814 419 HB VAL 62 HB VAL 62 4.643 7.434 -11.296 420 HG11 VAL 62 1HG1 VAL 62 5.721 5.160 -9.681 421 HG12 VAL 62 2HG1 VAL 62 6.455 6.135 -10.981 422 HG13 VAL 62 3HG1 VAL 62 6.316 6.834 -9.411 423 HG21 VAL 62 3HG2 VAL 62 4.121 5.251 -12.090 424 HG22 VAL 62 1HG2 VAL 62 3.291 4.896 -10.556 425 HG23 VAL 62 2HG2 VAL 62 2.689 6.161 -11.635 426 H ASP 63 H ASP 63 1.360 6.661 -9.726 427 HA ASP 63 HA ASP 63 0.330 9.444 -10.132 428 HB3 ASP 63 2HB ASP 63 -0.851 7.169 -11.710 429 H VAL 64 H VAL 64 -1.830 9.860 -9.575 430 HA VAL 64 HA VAL 64 -3.078 8.273 -7.557 431 HB VAL 64 HB VAL 64 -3.393 10.666 -7.797 432 HG11 VAL 64 1HG1 VAL 64 -4.955 10.201 -10.363 433 HG12 VAL 64 2HG1 VAL 64 -4.769 11.739 -9.475 434 HG13 VAL 64 3HG1 VAL 64 -3.360 10.980 -10.218 435 HG21 VAL 64 3HG2 VAL 64 -5.205 9.245 -6.737 436 HG22 VAL 64 1HG2 VAL 64 -5.719 10.840 -7.314 437 HG23 VAL 64 2HG2 VAL 64 -6.107 9.382 -8.247 438 H SER 65 H SER 65 -3.321 8.060 -11.142 439 HA SER 65 HA SER 65 -5.822 6.854 -11.292 440 HB3 SER 65 2HB SER 65 -4.858 5.780 -13.426 441 HG SER 65 HG SER 65 -4.764 7.813 -14.385 442 H SER 66 H SER 66 -2.787 5.196 -10.192 443 HA SER 66 HA SER 66 -4.073 2.609 -10.546 444 HB3 SER 66 2HB SER 66 -1.631 2.958 -10.482 445 HG SER 66 HG SER 66 -0.693 3.275 -8.468 446 H VAL 67 H VAL 67 -4.420 5.068 -8.087 447 HA VAL 67 HA VAL 67 -4.758 3.490 -5.790 448 HB VAL 67 HB VAL 67 -5.835 6.224 -6.529 449 HG11 VAL 67 1HG1 VAL 67 -7.317 5.366 -4.826 450 HG12 VAL 67 2HG1 VAL 67 -5.917 4.867 -3.831 451 HG13 VAL 67 3HG1 VAL 67 -6.244 6.591 -4.141 452 HG21 VAL 67 3HG2 VAL 67 -3.354 6.013 -6.405 453 HG22 VAL 67 1HG2 VAL 67 -3.983 6.977 -5.063 454 HG23 VAL 67 2HG2 VAL 67 -3.516 5.306 -4.783 455 HA PRO 68 HA PRO 68 -9.464 3.152 -6.575 456 HB3 PRO 68 2HB PRO 68 -10.300 4.875 -7.886 457 HG3 PRO 68 2HG PRO 68 -9.075 5.724 -9.761 458 HD3 PRO 68 2HD PRO 68 -7.827 5.949 -7.727 459 H LEU 69 H LEU 69 -6.997 2.265 -8.889 460 HA LEU 69 HA LEU 69 -8.249 -0.138 -9.869 461 HB3 LEU 69 2HB LEU 69 -5.260 0.009 -9.856 462 HG LEU 69 HG LEU 69 -7.494 -0.411 -11.892 463 HD11 LEU 69 1HD1 LEU 69 -5.686 -0.621 -13.602 464 HD12 LEU 69 2HD1 LEU 69 -4.554 0.084 -12.419 465 HD13 LEU 69 3HD1 LEU 69 -5.930 1.024 -13.008 466 HD21 LEU 69 3HD2 LEU 69 -6.860 -2.371 -10.564 467 HD22 LEU 69 1HD2 LEU 69 -5.135 -2.098 -10.902 468 HD23 LEU 69 2HD2 LEU 69 -6.249 -2.567 -12.199 469 H ALA 70 H ALA 70 -5.738 0.561 -7.390 470 HA ALA 70 HA ALA 70 -5.271 -2.095 -6.587 471 HB1 ALA 70 1HB ALA 70 -5.138 0.442 -4.906 472 HB2 ALA 70 2HB ALA 70 -4.340 -1.100 -4.532 473 HB3 ALA 70 3HB ALA 70 -3.837 -0.167 -5.963 474 H ILE 71 H ILE 71 -7.728 0.214 -5.465 475 HA ILE 71 HA ILE 71 -8.927 -1.290 -3.388 476 HB ILE 71 HB ILE 71 -10.012 0.693 -5.419 477 HG13 ILE 71 2HG1 ILE 71 -8.385 1.495 -3.711 478 HG21 ILE 71 1HG2 ILE 71 -12.077 0.877 -4.007 479 HG22 ILE 71 2HG2 ILE 71 -11.944 -0.681 -4.806 480 HG23 ILE 71 3HG2 ILE 71 -11.535 -0.544 -3.104 481 HD11 ILE 71 3HD1 ILE 71 -9.532 3.451 -3.043 482 HD12 ILE 71 1HD1 ILE 71 -10.253 2.992 -4.602 483 HD13 ILE 71 2HD1 ILE 71 -11.106 2.658 -3.076 484 H GLY 72 H GLY 72 -9.317 -1.472 -6.948 485 HA2 GLY 72 1HA GLY 72 -11.483 -3.261 -7.015 486 HA3 GLY 72 2HA GLY 72 -10.287 -2.999 -8.290 487 H LEU 73 H LEU 73 -8.106 -3.822 -6.181 488 HA LEU 73 HA LEU 73 -8.142 -6.639 -7.157 489 HB3 LEU 73 2HB LEU 73 -5.758 -6.567 -7.012 490 HG LEU 73 HG LEU 73 -6.583 -4.002 -8.400 491 HD11 LEU 73 1HD1 LEU 73 -4.164 -4.311 -8.125 492 HD12 LEU 73 2HD1 LEU 73 -4.635 -4.445 -9.825 493 HD13 LEU 73 3HD1 LEU 73 -4.258 -5.911 -8.896 494 HD21 LEU 73 3HD2 LEU 73 -6.846 -5.336 -10.456 495 HD22 LEU 73 1HD2 LEU 73 -8.042 -5.785 -9.251 496 HD23 LEU 73 2HD2 LEU 73 -6.647 -6.831 -9.534 497 H THR 74 H THR 74 -8.903 -5.023 -4.328 498 HA THR 74 HA THR 74 -7.932 -6.705 -2.311 499 HB THR 74 HB THR 74 -10.412 -5.084 -2.579 500 HG1 THR 74 1HG THR 74 -8.296 -5.347 -0.790 501 HG21 THR 74 3HG2 THR 74 -9.788 -7.171 -0.449 502 HG22 THR 74 1HG2 THR 74 -11.187 -7.152 -1.542 503 HG23 THR 74 2HG2 THR 74 -11.029 -5.922 -0.295 504 H GLY 75 H GLY 75 -9.944 -7.622 -5.001 505 HA2 GLY 75 1HA GLY 75 -10.609 -10.111 -3.665 506 HA3 GLY 75 2HA GLY 75 -11.192 -9.624 -5.265 507 H GLN 76 H GLN 76 -7.694 -9.491 -4.605 508 HA GLN 76 HA GLN 76 -7.291 -12.221 -5.653 509 HB3 GLN 76 2HB GLN 76 -5.453 -11.558 -6.991 510 HG3 GLN 76 2HG GLN 76 -7.408 -9.296 -7.521 511 HE21 GLN 76 1HE2 GLN 76 -5.314 -8.342 -8.344 512 HE22 GLN 76 2HE2 GLN 76 -4.792 -8.778 -9.942 513 H ARG 77 H ARG 77 -5.165 -13.072 -5.002 514 HA ARG 77 HA ARG 77 -3.998 -11.821 -2.593 515 HB3 ARG 77 2HB ARG 77 -5.425 -13.347 -1.533 516 HG3 ARG 77 2HG ARG 77 -4.721 -15.349 -3.709 517 HD3 ARG 77 2HD ARG 77 -6.111 -15.725 -1.019 518 HE ARG 77 HE ARG 77 -7.211 -16.672 -3.234 519 HH11 ARG 77 1HH1 ARG 77 -5.210 -18.571 -0.911 520 HH12 ARG 77 2HH1 ARG 77 -6.162 -20.001 -1.212 521 HH21 ARG 77 1HH2 ARG 77 -8.373 -18.498 -3.477 522 HH22 ARG 77 2HH2 ARG 77 -7.988 -19.965 -2.617 523 H VAL 78 H VAL 78 -1.897 -11.495 -2.944 524 HA VAL 78 HA VAL 78 -0.511 -13.122 -4.926 525 HB VAL 78 HB VAL 78 0.454 -10.878 -3.095 526 HG11 VAL 78 1HG1 VAL 78 2.345 -12.276 -3.870 527 HG12 VAL 78 2HG1 VAL 78 1.774 -12.126 -5.557 528 HG13 VAL 78 3HG1 VAL 78 2.356 -10.694 -4.667 529 HG21 VAL 78 3HG2 VAL 78 -1.198 -9.958 -4.575 530 HG22 VAL 78 1HG2 VAL 78 0.368 -9.589 -5.306 531 HG23 VAL 78 2HG2 VAL 78 -0.600 -10.935 -5.941 532 H LEU 79 H LEU 79 -0.352 -15.163 -4.174 533 HA LEU 79 HA LEU 79 0.345 -16.961 -2.920 534 HB3 LEU 79 2HB LEU 79 2.615 -16.786 -1.970 535 HG LEU 79 HG LEU 79 2.332 -15.200 -4.565 536 HD11 LEU 79 1HD1 LEU 79 4.686 -15.720 -4.927 537 HD12 LEU 79 2HD1 LEU 79 4.779 -16.523 -3.351 538 HD13 LEU 79 3HD1 LEU 79 4.463 -14.775 -3.448 539 HD21 LEU 79 3HD2 LEU 79 2.947 -18.158 -4.100 540 HD22 LEU 79 1HD2 LEU 79 2.959 -17.309 -5.668 541 HD23 LEU 79 2HD2 LEU 79 1.453 -17.502 -4.787 542 H GLY 80 H GLY 80 -1.643 -15.328 -1.670 543 HA2 GLY 80 1HA GLY 80 -2.809 -15.779 0.332 544 HA3 GLY 80 2HA GLY 80 -1.330 -16.240 1.132 545 H VAL 81 H VAL 81 -0.861 -13.274 -0.568 546 HA VAL 81 HA VAL 81 -1.799 -11.636 1.731 547 HB VAL 81 HB VAL 81 0.556 -11.161 -0.143 548 HG11 VAL 81 1HG1 VAL 81 -0.277 -8.995 0.226 549 HG12 VAL 81 2HG1 VAL 81 -0.811 -9.308 1.864 550 HG13 VAL 81 3HG1 VAL 81 0.933 -9.175 1.480 551 HG21 VAL 81 3HG2 VAL 81 1.196 -12.731 1.483 552 HG22 VAL 81 1HG2 VAL 81 1.698 -11.201 2.206 553 HG23 VAL 81 2HG2 VAL 81 0.206 -12.009 2.756 554 HA PRO 82 HA PRO 82 -4.525 -10.164 -1.602 555 HB3 PRO 82 2HB PRO 82 -6.417 -11.313 -0.964 556 HG3 PRO 82 2HG PRO 82 -6.395 -12.541 0.987 557 HD3 PRO 82 2HD PRO 82 -4.177 -13.006 0.619 558 H ILE 83 H ILE 83 -6.075 -8.067 -1.106 559 HA ILE 83 HA ILE 83 -4.404 -6.302 0.646 560 HB ILE 83 HB ILE 83 -3.593 -5.849 -1.515 561 HG13 ILE 83 2HG1 ILE 83 -4.190 -3.934 0.098 562 HG21 ILE 83 1HG2 ILE 83 -5.538 -6.706 -2.894 563 HG22 ILE 83 2HG2 ILE 83 -6.374 -5.175 -2.548 564 HG23 ILE 83 3HG2 ILE 83 -4.862 -5.186 -3.450 565 HD11 ILE 83 3HD1 ILE 83 -3.984 -3.127 -2.815 566 HD12 ILE 83 1HD1 ILE 83 -3.562 -2.156 -1.394 567 HD13 ILE 83 2HD1 ILE 83 -2.610 -3.603 -1.772 568 H ILE 84 H ILE 84 -5.591 -4.389 1.452 569 HA ILE 84 HA ILE 84 -8.507 -4.905 1.686 570 HB ILE 84 HB ILE 84 -6.632 -3.274 3.461 571 HG13 ILE 84 2HG1 ILE 84 -7.082 -4.911 5.230 572 HG21 ILE 84 1HG2 ILE 84 -8.812 -2.221 3.514 573 HG22 ILE 84 2HG2 ILE 84 -9.619 -3.776 3.753 574 HG23 ILE 84 3HG2 ILE 84 -8.581 -3.104 5.020 575 HD11 ILE 84 3HD1 ILE 84 -7.993 -7.112 4.767 576 HD12 ILE 84 1HD1 ILE 84 -9.230 -5.905 4.425 577 HD13 ILE 84 2HD1 ILE 84 -8.359 -6.661 3.089 578 H VAL 85 H VAL 85 -9.873 -3.201 1.190 579 HA VAL 85 HA VAL 85 -9.064 -1.513 -0.942 580 HB VAL 85 HB VAL 85 -11.398 -1.077 -1.103 581 HG11 VAL 85 1HG1 VAL 85 -12.346 -3.202 -1.359 582 HG12 VAL 85 2HG1 VAL 85 -10.657 -3.149 -1.900 583 HG13 VAL 85 3HG1 VAL 85 -11.073 -3.900 -0.351 584 HG21 VAL 85 3HG2 VAL 85 -11.844 -0.760 1.417 585 HG22 VAL 85 1HG2 VAL 85 -13.056 -1.746 0.566 586 HG23 VAL 85 2HG2 VAL 85 -11.819 -2.518 1.566 587 H GLN 86 H GLN 86 -8.010 -0.943 1.838 588 HA GLN 86 HA GLN 86 -9.214 1.391 2.948 589 HB3 GLN 86 2HB GLN 86 -6.598 1.191 3.963 590 HG3 GLN 86 2HG GLN 86 -7.704 -0.475 5.638 591 HE21 GLN 86 1HE2 GLN 86 -6.477 1.608 6.263 592 HE22 GLN 86 2HE2 GLN 86 -7.517 2.864 6.946 593 H ALA 87 H ALA 87 -6.521 0.963 0.721 594 HA ALA 87 HA ALA 87 -5.499 2.389 -0.744 595 HB1 ALA 87 1HB ALA 87 -8.070 3.960 -0.471 596 HB2 ALA 87 2HB ALA 87 -6.894 4.087 -1.792 597 HB3 ALA 87 3HB ALA 87 -7.785 2.577 -1.538 598 H SER 88 H SER 88 -4.696 2.703 1.835 599 HA SER 88 HA SER 88 -3.741 3.968 3.414 600 HB3 SER 88 2HB SER 88 -2.717 5.846 1.267 601 HG SER 88 HG SER 88 -1.365 6.081 2.873 602 H GLN 89 H GLN 89 -6.469 4.813 2.795 603 HA GLN 89 HA GLN 89 -6.513 7.699 3.211 604 HB3 GLN 89 2HB GLN 89 -8.944 7.412 3.359 605 HG3 GLN 89 2HG GLN 89 -8.084 5.702 1.106 606 HE21 GLN 89 1HE2 GLN 89 -9.045 9.106 1.336 607 HE22 GLN 89 2HE2 GLN 89 -10.577 8.972 0.505 608 H ALA 90 H ALA 90 -6.622 8.759 5.161 609 HA ALA 90 HA ALA 90 -7.997 7.686 7.383 610 HB1 ALA 90 1HB ALA 90 -6.243 7.826 9.086 611 HB2 ALA 90 2HB ALA 90 -5.789 6.600 7.897 612 HB3 ALA 90 3HB ALA 90 -5.017 8.197 7.860 613 H GLU 91 H GLU 91 -8.690 9.464 8.611 614 HA GLU 91 HA GLU 91 -8.142 12.160 7.595 615 HB3 GLU 91 2HB GLU 91 -10.141 11.189 9.696 616 HG3 GLU 91 2HG GLU 91 -9.747 13.789 8.169 617 H LYS 92 H LYS 92 -5.907 11.438 8.354 618 HA LYS 92 HA LYS 92 -5.401 12.748 10.965 619 HB3 LYS 92 2HB LYS 92 -3.618 11.237 11.563 620 HG3 LYS 92 2HG LYS 92 -6.016 9.518 10.838 621 HD3 LYS 92 2HD LYS 92 -3.631 9.217 12.703 622 HE3 LYS 92 2HE LYS 92 -6.329 7.813 12.851 623 HZ1 LYS 92 3HZ LYS 92 -5.205 6.719 14.771 624 HZ2 LYS 92 1HZ LYS 92 -3.753 7.267 14.219 625 HZ3 LYS 92 2HZ LYS 92 -4.640 6.234 13.308 626 H ASN 93 H ASN 93 -2.812 12.803 11.043 627 HA ASN 93 HA ASN 93 -0.983 13.774 10.519 628 HB3 ASN 93 2HB ASN 93 -0.141 14.047 8.213 629 HD21 ASN 93 1HD2 ASN 93 -0.066 11.740 6.656 630 HD22 ASN 93 2HD2 ASN 93 0.153 10.336 7.681 631 H ARG 94 H ARG 94 -3.628 15.179 10.794 632 HA ARG 94 HA ARG 94 -4.122 17.123 11.701 633 HB3 ARG 94 2HB ARG 94 -1.532 18.310 10.621 634 HG3 ARG 94 2HG ARG 94 -2.021 19.526 13.017 635 HD3 ARG 94 2HD ARG 94 -2.918 20.334 10.234 636 HE ARG 94 HE ARG 94 -3.640 21.744 12.475 637 HH11 ARG 94 1HH1 ARG 94 -1.690 22.325 9.522 638 HH12 ARG 94 2HH1 ARG 94 -1.995 24.046 9.575 639 HH21 ARG 94 1HH2 ARG 94 -4.084 23.952 12.383 640 HH22 ARG 94 2HH2 ARG 94 -3.298 24.957 11.165
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