NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
3978 | 1ehx | 4589 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -4.329 19.555 1.454 2 2H MET 1 HT2 MET 1 -3.520 19.698 -0.052 3 3H MET 1 HT3 MET 1 -4.248 18.210 0.395 4 HA MET 1 HA MET 1 -6.385 19.109 0.252 5 1HB MET 1 HB2 MET 1 -5.138 21.457 0.918 6 2HB MET 1 HB1 MET 1 -5.523 21.728 -0.776 7 1HG MET 1 HG2 MET 1 -7.847 20.659 0.275 8 2HG MET 1 HG1 MET 1 -7.250 21.727 1.544 9 1HE MET 1 HE1 MET 1 -8.680 21.619 -2.217 10 2HE MET 1 HE2 MET 1 -9.781 22.933 -1.805 11 3HE MET 1 HE3 MET 1 -9.706 21.495 -0.787 12 H GLN 2 HN GLN 2 -4.990 17.528 -1.392 13 HA GLN 2 HA GLN 2 -5.193 18.745 -4.061 14 1HB GLN 2 HB2 GLN 2 -3.704 16.280 -3.142 15 2HB GLN 2 HB1 GLN 2 -3.808 16.815 -4.814 16 1HG GLN 2 HG2 GLN 2 -2.824 18.769 -2.822 17 2HG GLN 2 HG1 GLN 2 -1.764 17.423 -3.239 18 1HE2 GLN 2 HE21 GLN 2 -0.337 18.002 -4.698 19 2HE2 GLN 2 HE22 GLN 2 -0.620 19.036 -6.054 20 H ASP 3 HN ASP 3 -5.665 16.867 -5.762 21 HA ASP 3 HA ASP 3 -8.008 15.373 -4.785 22 1HB ASP 3 HB2 ASP 3 -9.112 15.805 -6.939 23 2HB ASP 3 HB1 ASP 3 -8.743 17.306 -6.095 24 HA PRO 4 HA PRO 4 -5.011 12.665 -7.244 25 1HB PRO 4 HB2 PRO 4 -3.798 11.326 -5.260 26 2HB PRO 4 HB1 PRO 4 -3.217 12.908 -5.797 27 1HG PRO 4 HG2 PRO 4 -4.898 12.214 -3.420 28 2HG PRO 4 HG1 PRO 4 -3.537 13.344 -3.535 29 1HD PRO 4 HD2 PRO 4 -6.167 14.113 -3.594 30 2HD PRO 4 HD1 PRO 4 -4.852 15.032 -4.351 31 H THR 5 HN THR 5 -5.793 10.733 -7.943 32 HA THR 5 HA THR 5 -7.605 9.315 -6.103 33 HB THR 5 HB THR 5 -7.859 9.169 -9.092 34 HG1 THR 5 HG1 THR 5 -9.562 10.766 -8.751 35 1HG2 THR 5 HG21 THR 5 -9.180 7.886 -6.994 36 2HG2 THR 5 HG22 THR 5 -9.622 7.902 -8.702 37 3HG2 THR 5 HG23 THR 5 -10.301 9.104 -7.604 38 H ILE 6 HN ILE 6 -6.513 7.618 -5.345 39 HA ILE 6 HA ILE 6 -5.249 5.851 -7.317 40 HB ILE 6 HB ILE 6 -3.331 5.575 -6.105 41 1HG1 ILE 6 HG12 ILE 6 -4.682 6.638 -3.616 42 2HG1 ILE 6 HG11 ILE 6 -4.460 4.932 -3.983 43 1HG2 ILE 6 HG21 ILE 6 -3.269 7.823 -6.868 44 2HG2 ILE 6 HG22 ILE 6 -2.589 7.809 -5.241 45 3HG2 ILE 6 HG23 ILE 6 -4.237 8.375 -5.502 46 1HD1 ILE 6 HD11 ILE 6 -2.004 5.333 -4.010 47 2HD1 ILE 6 HD12 ILE 6 -2.773 5.588 -2.444 48 3HD1 ILE 6 HD13 ILE 6 -2.323 6.971 -3.442 49 H ASN 7 HN ASN 7 -4.617 3.717 -5.953 50 HA ASN 7 HA ASN 7 -6.796 2.155 -5.660 51 1HB ASN 7 HB2 ASN 7 -5.442 0.655 -4.304 52 2HB ASN 7 HB1 ASN 7 -4.441 1.378 -5.559 53 1HD2 ASN 7 HD21 ASN 7 -3.244 3.357 -4.900 54 2HD2 ASN 7 HD22 ASN 7 -2.573 3.394 -3.313 55 HA PRO 8 HA PRO 8 -9.274 2.787 -2.169 56 1HB PRO 8 HB2 PRO 8 -8.264 0.250 -0.959 57 2HB PRO 8 HB1 PRO 8 -9.929 0.787 -1.220 58 1HG PRO 8 HG2 PRO 8 -8.836 -1.021 -2.830 59 2HG PRO 8 HG1 PRO 8 -9.886 0.252 -3.482 60 1HD PRO 8 HD2 PRO 8 -6.914 0.011 -3.577 61 2HD PRO 8 HD1 PRO 8 -8.029 0.663 -4.792 62 H THR 9 HN THR 9 -8.964 1.989 0.517 63 HA THR 9 HA THR 9 -6.515 3.408 1.293 64 HB THR 9 HB THR 9 -8.815 3.703 3.100 65 HG1 THR 9 HG1 THR 9 -8.811 4.905 0.533 66 1HG2 THR 9 HG21 THR 9 -6.676 5.476 2.007 67 2HG2 THR 9 HG22 THR 9 -7.033 5.052 3.681 68 3HG2 THR 9 HG23 THR 9 -8.095 6.154 2.805 69 H SER 10 HN SER 10 -8.069 0.499 1.492 70 HA SER 10 HA SER 10 -6.348 -0.427 3.551 71 1HB SER 10 HB2 SER 10 -8.874 -1.074 4.689 72 2HB SER 10 HB1 SER 10 -7.571 -0.113 5.390 73 HG SER 10 HG SER 10 -8.713 1.608 5.046 74 H ILE 11 HN ILE 11 -6.141 -2.598 3.572 75 HA ILE 11 HA ILE 11 -8.135 -4.295 2.310 76 HB ILE 11 HB ILE 11 -6.393 -5.431 0.947 77 1HG1 ILE 11 HG12 ILE 11 -4.741 -2.989 1.607 78 2HG1 ILE 11 HG11 ILE 11 -4.424 -4.622 2.181 79 1HG2 ILE 11 HG21 ILE 11 -6.484 -2.594 0.040 80 2HG2 ILE 11 HG22 ILE 11 -7.985 -3.506 0.199 81 3HG2 ILE 11 HG23 ILE 11 -6.716 -4.077 -0.885 82 1HD1 ILE 11 HD11 ILE 11 -4.636 -4.382 -0.727 83 2HD1 ILE 11 HD12 ILE 11 -3.451 -5.232 0.264 84 3HD1 ILE 11 HD13 ILE 11 -3.292 -3.497 -0.007 85 H SER 12 HN SER 12 -7.539 -6.658 2.628 86 HA SER 12 HA SER 12 -5.702 -7.074 4.867 87 1HB SER 12 HB2 SER 12 -8.017 -8.678 5.352 88 2HB SER 12 HB1 SER 12 -7.300 -7.439 6.379 89 HG SER 12 HG SER 12 -8.826 -6.111 5.811 90 H ALA 13 HN ALA 13 -4.650 -8.958 4.849 91 HA ALA 13 HA ALA 13 -5.546 -11.326 3.612 92 1HB ALA 13 HB1 ALA 13 -4.423 -9.455 1.831 93 2HB ALA 13 HB2 ALA 13 -4.838 -11.140 1.513 94 3HB ALA 13 HB3 ALA 13 -3.216 -10.719 2.063 95 H LYS 14 HN LYS 14 -3.827 -13.005 3.648 96 HA LYS 14 HA LYS 14 -2.356 -12.836 6.080 97 1HB LYS 14 HB2 LYS 14 -3.154 -14.992 5.547 98 2HB LYS 14 HB1 LYS 14 -2.557 -14.902 3.899 99 1HG LYS 14 HG2 LYS 14 -0.216 -14.811 5.050 100 2HG LYS 14 HG1 LYS 14 -1.085 -15.511 6.416 101 1HD LYS 14 HD2 LYS 14 -1.986 -17.054 4.371 102 2HD LYS 14 HD1 LYS 14 -0.342 -16.702 3.836 103 1HE LYS 14 HE2 LYS 14 -0.977 -17.700 6.601 104 2HE LYS 14 HE1 LYS 14 -0.656 -18.785 5.249 105 1HZ LYS 14 HZ1 LYS 14 1.527 -18.321 5.285 106 2HZ LYS 14 HZ2 LYS 14 1.230 -17.843 6.880 107 3HZ LYS 14 HZ3 LYS 14 1.301 -16.684 5.650 108 H ALA 15 HN ALA 15 -0.136 -12.535 6.397 109 HA ALA 15 HA ALA 15 1.171 -11.022 4.414 110 1HB ALA 15 HB1 ALA 15 3.157 -11.101 5.845 111 2HB ALA 15 HB2 ALA 15 2.404 -12.363 6.822 112 3HB ALA 15 HB3 ALA 15 1.709 -10.744 6.787 113 H GLY 16 HN GLY 16 1.498 -11.859 2.567 114 1HA GLY 16 HA2 GLY 16 3.462 -13.140 1.520 115 2HA GLY 16 HA1 GLY 16 2.716 -14.517 2.332 116 H SER 17 HN SER 17 0.010 -13.672 1.988 117 HA SER 17 HA SER 17 -0.485 -14.705 -0.613 118 1HB SER 17 HB2 SER 17 -2.803 -13.472 0.324 119 2HB SER 17 HB1 SER 17 -2.376 -15.165 0.513 120 HG SER 17 HG SER 17 -2.048 -13.030 2.318 121 H PHE 18 HN PHE 18 0.863 -11.938 0.087 122 HA PHE 18 HA PHE 18 -0.769 -10.210 -1.576 123 1HB PHE 18 HB2 PHE 18 1.564 -9.776 0.264 124 2HB PHE 18 HB1 PHE 18 0.908 -8.521 -0.755 125 HD1 PHE 18 HD1 PHE 18 -1.636 -8.040 -0.504 126 HD2 PHE 18 HD2 PHE 18 0.716 -10.100 2.381 127 HE1 PHE 18 HE1 PHE 18 -3.317 -7.538 1.221 128 HE2 PHE 18 HE2 PHE 18 -0.961 -9.602 4.109 129 HZ PHE 18 HZ PHE 18 -2.977 -8.321 3.531 130 H ALA 19 HN ALA 19 -0.154 -11.553 -3.452 131 HA ALA 19 HA ALA 19 2.542 -11.629 -4.358 132 1HB ALA 19 HB1 ALA 19 0.638 -11.733 -6.524 133 2HB ALA 19 HB2 ALA 19 0.116 -12.743 -5.175 134 3HB ALA 19 HB3 ALA 19 1.702 -12.996 -5.904 135 H ASP 20 HN ASP 20 3.503 -10.424 -6.083 136 HA ASP 20 HA ASP 20 3.568 -7.766 -5.951 137 1HB ASP 20 HB2 ASP 20 5.039 -8.970 -7.450 138 2HB ASP 20 HB1 ASP 20 3.690 -9.368 -8.509 139 H THR 21 HN THR 21 2.026 -6.247 -5.907 140 HA THR 21 HA THR 21 -0.181 -6.520 -7.848 141 HB THR 21 HB THR 21 -0.529 -5.184 -5.185 142 HG1 THR 21 HG1 THR 21 -1.142 -7.098 -4.300 143 1HG2 THR 21 HG21 THR 21 -2.574 -6.690 -6.763 144 2HG2 THR 21 HG22 THR 21 -2.237 -4.984 -7.054 145 3HG2 THR 21 HG23 THR 21 -2.816 -5.512 -5.474 146 H LYS 22 HN LYS 22 -0.263 -4.923 -9.245 147 HA LYS 22 HA LYS 22 1.206 -2.504 -8.712 148 1HB LYS 22 HB2 LYS 22 0.091 -2.240 -11.234 149 2HB LYS 22 HB1 LYS 22 1.721 -2.775 -10.870 150 1HG LYS 22 HG2 LYS 22 0.796 -4.345 -12.371 151 2HG LYS 22 HG1 LYS 22 0.825 -5.117 -10.785 152 1HD LYS 22 HD2 LYS 22 -1.290 -5.636 -11.650 153 2HD LYS 22 HD1 LYS 22 -1.587 -4.294 -10.543 154 1HE LYS 22 HE2 LYS 22 -1.685 -2.738 -12.370 155 2HE LYS 22 HE1 LYS 22 -1.194 -3.985 -13.516 156 1HZ LYS 22 HZ1 LYS 22 -3.406 -5.017 -12.290 157 2HZ LYS 22 HZ2 LYS 22 -3.352 -4.325 -13.833 158 3HZ LYS 22 HZ3 LYS 22 -3.793 -3.383 -12.499 159 H ILE 23 HN ILE 23 0.304 -0.791 -7.939 160 HA ILE 23 HA ILE 23 -2.587 -0.494 -7.957 161 HB ILE 23 HB ILE 23 -0.391 0.431 -6.266 162 1HG1 ILE 23 HG12 ILE 23 -3.301 -0.118 -5.691 163 2HG1 ILE 23 HG11 ILE 23 -2.020 -1.324 -5.638 164 1HG2 ILE 23 HG21 ILE 23 -2.826 2.168 -6.632 165 2HG2 ILE 23 HG22 ILE 23 -1.172 2.593 -7.076 166 3HG2 ILE 23 HG23 ILE 23 -1.598 2.365 -5.381 167 1HD1 ILE 23 HD11 ILE 23 -2.876 -0.068 -3.475 168 2HD1 ILE 23 HD12 ILE 23 -1.668 1.109 -3.991 169 3HD1 ILE 23 HD13 ILE 23 -1.194 -0.560 -3.673 170 H THR 24 HN THR 24 -3.549 1.613 -8.445 171 HA THR 24 HA THR 24 -2.054 2.989 -10.574 172 HB THR 24 HB THR 24 -5.044 3.062 -10.217 173 HG1 THR 24 HG1 THR 24 -4.750 0.953 -10.557 174 1HG2 THR 24 HG21 THR 24 -3.411 4.446 -11.937 175 2HG2 THR 24 HG22 THR 24 -5.138 4.158 -12.143 176 3HG2 THR 24 HG23 THR 24 -3.968 3.083 -12.908 177 H LEU 25 HN LEU 25 -1.384 4.978 -10.170 178 HA LEU 25 HA LEU 25 -2.661 6.482 -7.997 179 1HB LEU 25 HB2 LEU 25 0.063 5.994 -8.803 180 2HB LEU 25 HB1 LEU 25 -0.261 7.712 -8.746 181 HG LEU 25 HG LEU 25 -1.147 7.346 -6.402 182 1HD1 LEU 25 HD11 LEU 25 -0.471 4.617 -7.136 183 2HD1 LEU 25 HD12 LEU 25 -1.495 5.222 -5.836 184 3HD1 LEU 25 HD13 LEU 25 0.249 5.122 -5.607 185 1HD2 LEU 25 HD21 LEU 25 1.055 7.369 -5.410 186 2HD2 LEU 25 HD22 LEU 25 1.073 8.297 -6.909 187 3HD2 LEU 25 HD23 LEU 25 1.752 6.670 -6.872 188 H THR 26 HN THR 26 -4.333 7.492 -9.164 189 HA THR 26 HA THR 26 -3.909 8.793 -11.654 190 HB THR 26 HB THR 26 -6.127 9.428 -9.718 191 HG1 THR 26 HG1 THR 26 -6.102 7.206 -9.933 192 1HG2 THR 26 HG21 THR 26 -6.969 10.617 -11.371 193 2HG2 THR 26 HG22 THR 26 -7.015 9.169 -12.378 194 3HG2 THR 26 HG23 THR 26 -5.591 10.209 -12.394 195 HA PRO 27 HA PRO 27 -2.152 12.545 -9.810 196 1HB PRO 27 HB2 PRO 27 -0.363 12.958 -11.609 197 2HB PRO 27 HB1 PRO 27 -0.315 11.373 -10.813 198 1HG PRO 27 HG2 PRO 27 -1.637 12.085 -13.420 199 2HG PRO 27 HG1 PRO 27 -0.436 10.844 -13.118 200 1HD PRO 27 HD2 PRO 27 -3.131 10.368 -13.082 201 2HD PRO 27 HD1 PRO 27 -1.948 9.398 -12.178 202 H ASN 28 HN ASN 28 -4.423 12.121 -11.946 203 HA ASN 28 HA ASN 28 -4.561 13.761 -13.967 204 1HB ASN 28 HB2 ASN 28 -6.395 12.448 -12.484 205 2HB ASN 28 HB1 ASN 28 -6.864 14.115 -12.184 206 1HD2 ASN 28 HD21 ASN 28 -8.586 14.491 -13.394 207 2HD2 ASN 28 HD22 ASN 28 -8.733 14.143 -15.080 208 H GLY 29 HN GLY 29 -3.951 14.767 -10.870 209 1HA GLY 29 HA2 GLY 29 -3.599 17.501 -11.623 210 2HA GLY 29 HA1 GLY 29 -5.006 17.299 -10.590 211 H ASN 30 HN ASN 30 -2.559 15.027 -9.970 212 HA ASN 30 HA ASN 30 -1.342 16.644 -7.883 213 1HB ASN 30 HB2 ASN 30 -2.062 13.876 -7.172 214 2HB ASN 30 HB1 ASN 30 -2.065 15.332 -6.203 215 1HD2 ASN 30 HD21 ASN 30 -3.795 13.927 -8.959 216 2HD2 ASN 30 HD22 ASN 30 -5.361 14.462 -8.462 217 H THR 31 HN THR 31 0.477 15.403 -6.832 218 HA THR 31 HA THR 31 1.842 13.686 -8.789 219 HB THR 31 HB THR 31 2.931 15.819 -8.891 220 HG1 THR 31 HG1 THR 31 4.533 14.301 -7.132 221 1HG2 THR 31 HG21 THR 31 2.868 15.726 -5.904 222 2HG2 THR 31 HG22 THR 31 2.346 17.013 -6.991 223 3HG2 THR 31 HG23 THR 31 4.066 16.689 -6.769 224 H PHE 32 HN PHE 32 3.430 12.239 -7.865 225 HA PHE 32 HA PHE 32 2.953 11.626 -5.026 226 1HB PHE 32 HB2 PHE 32 1.688 9.994 -6.211 227 2HB PHE 32 HB1 PHE 32 2.987 9.725 -7.368 228 HD1 PHE 32 HD1 PHE 32 2.720 9.701 -3.640 229 HD2 PHE 32 HD2 PHE 32 3.925 7.656 -7.171 230 HE1 PHE 32 HE1 PHE 32 3.552 7.833 -2.271 231 HE2 PHE 32 HE2 PHE 32 4.757 5.784 -5.809 232 HZ PHE 32 HZ PHE 32 4.571 5.872 -3.356 233 H ASN 33 HN ASN 33 4.718 11.165 -3.829 234 HA ASN 33 HA ASN 33 7.309 11.287 -5.198 235 1HB ASN 33 HB2 ASN 33 6.304 12.495 -2.838 236 2HB ASN 33 HB1 ASN 33 7.563 11.367 -2.344 237 1HD2 ASN 33 HD21 ASN 33 7.411 14.346 -2.445 238 2HD2 ASN 33 HD22 ASN 33 8.818 14.828 -3.324 239 H GLY 34 HN GLY 34 5.791 9.554 -2.468 240 1HA GLY 34 HA2 GLY 34 6.443 6.986 -3.279 241 2HA GLY 34 HA1 GLY 34 7.819 7.562 -2.352 242 H ILE 35 HN ILE 35 6.499 5.373 -1.455 243 HA ILE 35 HA ILE 35 4.743 6.321 0.696 244 HB ILE 35 HB ILE 35 5.220 3.431 0.260 245 1HG1 ILE 35 HG12 ILE 35 3.281 4.925 -1.496 246 2HG1 ILE 35 HG11 ILE 35 4.904 4.510 -2.032 247 1HG2 ILE 35 HG21 ILE 35 3.120 3.182 1.192 248 2HG2 ILE 35 HG22 ILE 35 2.563 4.739 0.596 249 3HG2 ILE 35 HG23 ILE 35 3.666 4.666 1.970 250 1HD1 ILE 35 HD11 ILE 35 4.262 2.104 -1.413 251 2HD1 ILE 35 HD12 ILE 35 3.587 2.808 -2.881 252 3HD1 ILE 35 HD13 ILE 35 2.605 2.705 -1.420 253 H SER 36 HN SER 36 6.239 7.093 2.127 254 HA SER 36 HA SER 36 8.683 5.953 2.820 255 1HB SER 36 HB2 SER 36 6.883 7.546 4.660 256 2HB SER 36 HB1 SER 36 8.630 7.348 4.808 257 HG SER 36 HG SER 36 7.152 8.872 2.979 258 H GLU 37 HN GLU 37 5.505 5.382 4.284 259 HA GLU 37 HA GLU 37 6.156 3.887 6.448 260 1HB GLU 37 HB2 GLU 37 3.907 3.926 6.300 261 2HB GLU 37 HB1 GLU 37 3.923 3.931 4.548 262 1HG GLU 37 HG2 GLU 37 4.682 1.370 5.750 263 2HG GLU 37 HG1 GLU 37 3.032 1.890 6.092 264 H LEU 38 HN LEU 38 6.552 3.046 3.084 265 HA LEU 38 HA LEU 38 8.116 0.744 3.905 266 1HB LEU 38 HB2 LEU 38 7.216 -0.679 2.279 267 2HB LEU 38 HB1 LEU 38 5.873 -0.007 3.152 268 HG LEU 38 HG LEU 38 6.674 1.266 0.577 269 1HD1 LEU 38 HD11 LEU 38 5.890 -1.498 0.857 270 2HD1 LEU 38 HD12 LEU 38 6.407 -0.614 -0.578 271 3HD1 LEU 38 HD13 LEU 38 4.715 -0.582 -0.085 272 1HD2 LEU 38 HD21 LEU 38 3.995 0.718 1.825 273 2HD2 LEU 38 HD22 LEU 38 4.333 1.746 0.436 274 3HD2 LEU 38 HD23 LEU 38 4.915 2.208 2.036 275 H GLN 39 HN GLN 39 9.854 2.060 3.593 276 HA GLN 39 HA GLN 39 10.724 3.748 1.830 277 1HB GLN 39 HB2 GLN 39 12.951 2.151 1.881 278 2HB GLN 39 HB1 GLN 39 12.520 3.332 3.108 279 1HG GLN 39 HG2 GLN 39 12.067 1.763 4.637 280 2HG GLN 39 HG1 GLN 39 11.276 0.706 3.470 281 1HE2 GLN 39 HE21 GLN 39 14.562 2.019 3.687 282 2HE2 GLN 39 HE22 GLN 39 15.362 0.489 3.642 283 H SER 40 HN SER 40 9.752 3.585 0.035 284 HA SER 40 HA SER 40 8.988 2.518 -1.973 285 1HB SER 40 HB2 SER 40 11.704 3.471 -2.773 286 2HB SER 40 HB1 SER 40 10.147 3.746 -3.554 287 HG SER 40 HG SER 40 11.322 5.068 -1.394 288 H SER 41 HN SER 41 12.234 1.517 -1.085 289 HA SER 41 HA SER 41 12.701 -0.313 -3.099 290 1HB SER 41 HB2 SER 41 14.545 -0.168 -1.742 291 2HB SER 41 HB1 SER 41 13.576 -0.094 -0.274 292 HG SER 41 HG SER 41 13.236 -2.319 -0.439 293 H GLN 42 HN GLN 42 10.484 -0.475 -0.442 294 HA GLN 42 HA GLN 42 9.962 -3.218 -0.378 295 1HB GLN 42 HB2 GLN 42 8.250 -0.805 0.206 296 2HB GLN 42 HB1 GLN 42 7.854 -2.441 0.666 297 1HG GLN 42 HG2 GLN 42 9.136 -0.642 2.235 298 2HG GLN 42 HG1 GLN 42 9.145 -2.374 2.434 299 1HE2 GLN 42 HE21 GLN 42 10.887 -3.554 1.242 300 2HE2 GLN 42 HE22 GLN 42 12.453 -2.825 1.233 301 H TYR 43 HN TYR 43 8.889 -0.613 -2.358 302 HA TYR 43 HA TYR 43 7.286 -2.465 -3.996 303 1HB TYR 43 HB2 TYR 43 5.734 -0.678 -4.495 304 2HB TYR 43 HB1 TYR 43 5.856 -0.883 -2.753 305 HD1 TYR 43 HD1 TYR 43 6.013 1.020 -1.471 306 HD2 TYR 43 HD2 TYR 43 7.433 1.158 -5.478 307 HE1 TYR 43 HE1 TYR 43 6.488 3.416 -1.215 308 HE2 TYR 43 HE2 TYR 43 7.916 3.552 -5.231 309 HH TYR 43 HH TYR 43 8.392 5.088 -2.739 310 H THR 44 HN THR 44 6.713 -1.047 -6.094 311 HA THR 44 HA THR 44 9.167 0.029 -7.241 312 HB THR 44 HB THR 44 7.478 -1.819 -8.886 313 HG1 THR 44 HG1 THR 44 9.603 -2.697 -7.230 314 1HG2 THR 44 HG21 THR 44 9.521 -0.381 -9.670 315 2HG2 THR 44 HG22 THR 44 9.284 -2.026 -10.261 316 3HG2 THR 44 HG23 THR 44 10.444 -1.711 -8.971 317 H LYS 45 HN LYS 45 8.265 2.043 -7.163 318 HA LYS 45 HA LYS 45 5.656 2.673 -8.048 319 1HB LYS 45 HB2 LYS 45 6.330 4.383 -6.735 320 2HB LYS 45 HB1 LYS 45 8.024 4.159 -7.133 321 1HG LYS 45 HG2 LYS 45 7.647 5.333 -9.265 322 2HG LYS 45 HG1 LYS 45 5.968 5.605 -8.792 323 1HD LYS 45 HD2 LYS 45 6.971 7.588 -8.158 324 2HD LYS 45 HD1 LYS 45 7.023 6.658 -6.658 325 1HE LYS 45 HE2 LYS 45 9.319 6.084 -7.019 326 2HE LYS 45 HE1 LYS 45 9.291 6.782 -8.638 327 1HZ LYS 45 HZ1 LYS 45 8.596 8.543 -6.418 328 2HZ LYS 45 HZ2 LYS 45 9.451 8.879 -7.838 329 3HZ LYS 45 HZ3 LYS 45 10.220 8.088 -6.556 330 H GLY 46 HN GLY 46 5.161 4.163 -9.788 331 1HA GLY 46 HA2 GLY 46 6.903 4.223 -12.090 332 2HA GLY 46 HA1 GLY 46 5.464 3.228 -12.278 333 H THR 47 HN THR 47 6.507 6.476 -11.329 334 HA THR 47 HA THR 47 4.986 8.332 -11.094 335 HB THR 47 HB THR 47 6.730 8.772 -12.706 336 HG1 THR 47 HG1 THR 47 5.751 10.472 -13.480 337 1HG2 THR 47 HG21 THR 47 5.584 6.777 -14.246 338 2HG2 THR 47 HG22 THR 47 6.925 7.829 -14.697 339 3HG2 THR 47 HG23 THR 47 5.275 8.265 -15.141 340 H ASN 48 HN ASN 48 2.883 8.251 -10.676 341 HA ASN 48 HA ASN 48 0.658 8.558 -11.236 342 1HB ASN 48 HB2 ASN 48 1.127 7.146 -13.860 343 2HB ASN 48 HB1 ASN 48 -0.225 8.181 -13.412 344 1HD2 ASN 48 HD21 ASN 48 1.533 8.400 -15.688 345 2HD2 ASN 48 HD22 ASN 48 2.290 9.950 -15.580 346 H GLU 49 HN GLU 49 2.525 5.769 -11.224 347 HA GLU 49 HA GLU 49 0.340 4.246 -10.069 348 1HB GLU 49 HB2 GLU 49 1.617 3.603 -12.674 349 2HB GLU 49 HB1 GLU 49 1.312 2.266 -11.580 350 1HG GLU 49 HG2 GLU 49 -0.870 2.275 -12.014 351 2HG GLU 49 HG1 GLU 49 -0.980 4.027 -11.853 352 H VAL 50 HN VAL 50 1.164 2.177 -9.131 353 HA VAL 50 HA VAL 50 3.969 1.814 -8.811 354 HB VAL 50 HB VAL 50 3.987 3.571 -7.330 355 1HG1 VAL 50 HG11 VAL 50 1.540 2.586 -5.907 356 2HG1 VAL 50 HG12 VAL 50 1.478 3.741 -7.238 357 3HG1 VAL 50 HG13 VAL 50 2.333 4.153 -5.752 358 1HG2 VAL 50 HG21 VAL 50 3.425 1.361 -5.392 359 2HG2 VAL 50 HG22 VAL 50 4.626 2.647 -5.281 360 3HG2 VAL 50 HG23 VAL 50 4.847 1.332 -6.435 361 H THR 51 HN THR 51 4.396 -0.199 -8.296 362 HA THR 51 HA THR 51 2.175 -1.879 -7.331 363 HB THR 51 HB THR 51 3.185 -2.233 -9.668 364 HG1 THR 51 HG1 THR 51 3.253 -4.503 -7.987 365 1HG2 THR 51 HG21 THR 51 5.537 -2.136 -9.115 366 2HG2 THR 51 HG22 THR 51 5.117 -3.719 -9.770 367 3HG2 THR 51 HG23 THR 51 5.358 -3.518 -8.034 368 H LEU 52 HN LEU 52 2.502 -3.344 -5.677 369 HA LEU 52 HA LEU 52 4.995 -2.962 -4.191 370 1HB LEU 52 HB2 LEU 52 3.577 -4.238 -2.396 371 2HB LEU 52 HB1 LEU 52 3.410 -2.525 -2.642 372 HG LEU 52 HG LEU 52 1.276 -3.680 -2.298 373 1HD1 LEU 52 HD11 LEU 52 1.912 -1.829 -4.372 374 2HD1 LEU 52 HD12 LEU 52 0.475 -1.932 -3.358 375 3HD1 LEU 52 HD13 LEU 52 0.554 -2.845 -4.861 376 1HD2 LEU 52 HD21 LEU 52 0.576 -5.440 -3.472 377 2HD2 LEU 52 HD22 LEU 52 2.281 -5.632 -3.872 378 3HD2 LEU 52 HD23 LEU 52 1.201 -4.804 -4.989 379 H LEU 53 HN LEU 53 6.232 -4.709 -3.485 380 HA LEU 53 HA LEU 53 5.784 -7.128 -5.059 381 1HB LEU 53 HB2 LEU 53 8.160 -5.737 -3.993 382 2HB LEU 53 HB1 LEU 53 8.241 -7.488 -3.995 383 HG LEU 53 HG LEU 53 7.676 -5.788 -6.426 384 1HD1 LEU 53 HD11 LEU 53 9.863 -5.634 -6.804 385 2HD1 LEU 53 HD12 LEU 53 10.126 -7.336 -6.422 386 3HD1 LEU 53 HD13 LEU 53 10.093 -6.136 -5.129 387 1HD2 LEU 53 HD21 LEU 53 6.713 -7.797 -6.962 388 2HD2 LEU 53 HD22 LEU 53 7.797 -8.721 -5.921 389 3HD2 LEU 53 HD23 LEU 53 8.377 -8.097 -7.465 390 H ALA 54 HN ALA 54 5.122 -8.924 -4.198 391 HA ALA 54 HA ALA 54 4.209 -9.335 -1.668 392 1HB ALA 54 HB1 ALA 54 4.192 -10.810 -3.877 393 2HB ALA 54 HB2 ALA 54 3.830 -11.486 -2.288 394 3HB ALA 54 HB3 ALA 54 5.437 -11.685 -2.986 395 H SER 55 HN SER 55 7.479 -9.006 -2.494 396 HA SER 55 HA SER 55 8.603 -10.763 -0.557 397 1HB SER 55 HB2 SER 55 10.349 -8.546 -1.090 398 2HB SER 55 HB1 SER 55 10.497 -10.218 -1.631 399 HG SER 55 HG SER 55 10.280 -8.445 -3.272 400 H TYR 56 HN TYR 56 7.947 -7.293 -0.629 401 HA TYR 56 HA TYR 56 8.843 -6.783 2.023 402 1HB TYR 56 HB2 TYR 56 8.746 -4.846 0.776 403 2HB TYR 56 HB1 TYR 56 7.302 -5.338 -0.082 404 HD1 TYR 56 HD1 TYR 56 5.260 -4.394 0.470 405 HD2 TYR 56 HD2 TYR 56 8.438 -4.220 3.292 406 HE1 TYR 56 HE1 TYR 56 3.892 -2.945 1.911 407 HE2 TYR 56 HE2 TYR 56 7.079 -2.771 4.742 408 HH TYR 56 HH TYR 56 5.197 -1.280 4.610 409 H LEU 57 HN LEU 57 5.647 -6.846 0.569 410 HA LEU 57 HA LEU 57 4.093 -6.728 2.829 411 1HB LEU 57 HB2 LEU 57 3.646 -7.120 0.143 412 2HB LEU 57 HB1 LEU 57 3.061 -8.613 0.848 413 HG LEU 57 HG LEU 57 1.277 -7.614 1.850 414 1HD1 LEU 57 HD11 LEU 57 1.271 -5.104 2.373 415 2HD1 LEU 57 HD12 LEU 57 3.012 -5.183 2.108 416 3HD1 LEU 57 HD13 LEU 57 2.268 -6.156 3.377 417 1HD2 LEU 57 HD21 LEU 57 1.187 -5.295 0.178 418 2HD2 LEU 57 HD22 LEU 57 0.274 -6.797 0.047 419 3HD2 LEU 57 HD23 LEU 57 1.850 -6.653 -0.731 420 H ASN 58 HN ASN 58 5.401 -9.647 1.291 421 HA ASN 58 HA ASN 58 4.278 -11.443 3.165 422 1HB ASN 58 HB2 ASN 58 5.068 -12.213 0.981 423 2HB ASN 58 HB1 ASN 58 6.719 -11.774 1.406 424 1HD2 ASN 58 HD21 ASN 58 4.338 -13.310 3.490 425 2HD2 ASN 58 HD22 ASN 58 5.196 -14.796 3.681 426 H THR 59 HN THR 59 7.131 -9.460 3.175 427 HA THR 59 HA THR 59 8.520 -10.841 5.225 428 HB THR 59 HB THR 59 8.743 -8.016 4.196 429 HG1 THR 59 HG1 THR 59 9.831 -10.440 3.510 430 1HG2 THR 59 HG21 THR 59 9.577 -8.021 6.472 431 2HG2 THR 59 HG22 THR 59 10.902 -7.878 5.317 432 3HG2 THR 59 HG23 THR 59 10.587 -9.420 6.113 433 H LEU 60 HN LEU 60 6.150 -8.276 5.193 434 HA LEU 60 HA LEU 60 6.321 -7.203 7.681 435 1HB LEU 60 HB2 LEU 60 4.063 -7.838 5.882 436 2HB LEU 60 HB1 LEU 60 3.662 -7.412 7.536 437 HG LEU 60 HG LEU 60 3.660 -5.520 5.872 438 1HD1 LEU 60 HD11 LEU 60 4.886 -3.983 7.430 439 2HD1 LEU 60 HD12 LEU 60 5.403 -5.412 8.323 440 3HD1 LEU 60 HD13 LEU 60 3.688 -5.021 8.202 441 1HD2 LEU 60 HD21 LEU 60 6.546 -6.263 5.814 442 2HD2 LEU 60 HD22 LEU 60 6.080 -4.573 5.636 443 3HD2 LEU 60 HD23 LEU 60 5.481 -5.777 4.495 444 HA PRO 61 HA PRO 61 6.067 -10.535 10.607 445 1HB PRO 61 HB2 PRO 61 4.962 -8.421 12.374 446 2HB PRO 61 HB1 PRO 61 6.338 -9.498 12.631 447 1HG PRO 61 HG2 PRO 61 6.712 -6.925 12.051 448 2HG PRO 61 HG1 PRO 61 7.777 -8.177 11.384 449 1HD PRO 61 HD2 PRO 61 5.554 -6.674 10.064 450 2HD PRO 61 HD1 PRO 61 7.122 -7.183 9.404 451 H GLU 62 HN GLU 62 4.276 -10.668 12.668 452 HA GLU 62 HA GLU 62 2.082 -11.923 11.604 453 1HB GLU 62 HB2 GLU 62 2.845 -10.873 14.254 454 2HB GLU 62 HB1 GLU 62 1.131 -11.178 14.019 455 1HG GLU 62 HG2 GLU 62 2.205 -13.096 14.991 456 2HG GLU 62 HG1 GLU 62 1.631 -13.476 13.371 457 H ASN 63 HN ASN 63 -0.155 -11.087 12.754 458 HA ASN 63 HA ASN 63 -1.464 -9.618 11.019 459 1HB ASN 63 HB2 ASN 63 -2.076 -10.675 13.450 460 2HB ASN 63 HB1 ASN 63 -2.301 -8.956 13.750 461 1HD2 ASN 63 HD21 ASN 63 -4.191 -11.241 13.527 462 2HD2 ASN 63 HD22 ASN 63 -5.360 -10.738 12.358 463 H THR 64 HN THR 64 0.377 -8.064 10.486 464 HA THR 64 HA THR 64 0.361 -5.669 12.165 465 HB THR 64 HB THR 64 2.060 -4.962 10.267 466 HG1 THR 64 HG1 THR 64 2.365 -7.766 10.192 467 1HG2 THR 64 HG21 THR 64 2.654 -5.364 12.634 468 2HG2 THR 64 HG22 THR 64 3.900 -5.867 11.493 469 3HG2 THR 64 HG23 THR 64 2.860 -7.073 12.252 470 H THR 65 HN THR 65 -0.277 -3.642 11.402 471 HA THR 65 HA THR 65 -2.119 -3.761 9.123 472 HB THR 65 HB THR 65 -2.020 -1.360 10.826 473 HG1 THR 65 HG1 THR 65 -1.790 -2.928 12.409 474 1HG2 THR 65 HG21 THR 65 -4.585 -2.480 10.770 475 2HG2 THR 65 HG22 THR 65 -3.916 -2.678 9.151 476 3HG2 THR 65 HG23 THR 65 -3.995 -1.075 9.882 477 H LYS 66 HN LYS 66 -0.310 -3.631 7.611 478 HA LYS 66 HA LYS 66 1.444 -1.471 7.500 479 1HB LYS 66 HB2 LYS 66 0.599 -3.735 5.833 480 2HB LYS 66 HB1 LYS 66 1.206 -2.362 4.946 481 1HG LYS 66 HG2 LYS 66 2.608 -4.068 6.944 482 2HG LYS 66 HG1 LYS 66 3.069 -3.716 5.279 483 1HD LYS 66 HD2 LYS 66 4.505 -2.328 6.326 484 2HD LYS 66 HD1 LYS 66 3.138 -1.235 6.257 485 1HE LYS 66 HE2 LYS 66 3.065 -1.134 8.480 486 2HE LYS 66 HE1 LYS 66 2.956 -2.891 8.591 487 1HZ LYS 66 HZ1 LYS 66 5.056 -1.334 9.402 488 2HZ LYS 66 HZ2 LYS 66 5.600 -2.032 7.961 489 3HZ LYS 66 HZ3 LYS 66 5.065 -3.017 9.228 490 H THR 67 HN THR 67 1.311 0.478 6.461 491 HA THR 67 HA THR 67 -1.231 1.077 5.130 492 HB THR 67 HB THR 67 -0.913 1.930 7.481 493 HG1 THR 67 HG1 THR 67 -2.411 2.731 5.800 494 1HG2 THR 67 HG21 THR 67 0.564 4.199 6.248 495 2HG2 THR 67 HG22 THR 67 1.426 2.841 6.970 496 3HG2 THR 67 HG23 THR 67 0.333 3.814 7.953 497 H LEU 68 HN LEU 68 -0.684 1.182 3.120 498 HA LEU 68 HA LEU 68 1.787 2.164 2.121 499 1HB LEU 68 HB2 LEU 68 -0.600 0.966 1.050 500 2HB LEU 68 HB1 LEU 68 -0.127 2.340 0.074 501 HG LEU 68 HG LEU 68 2.156 1.328 -0.125 502 1HD1 LEU 68 HD11 LEU 68 2.618 -0.841 0.590 503 2HD1 LEU 68 HD12 LEU 68 0.917 -1.213 0.868 504 3HD1 LEU 68 HD13 LEU 68 1.770 -0.118 1.957 505 1HD2 LEU 68 HD21 LEU 68 -0.163 0.791 -1.525 506 2HD2 LEU 68 HD22 LEU 68 0.523 -0.805 -1.223 507 3HD2 LEU 68 HD23 LEU 68 1.481 0.425 -2.046 508 H THR 69 HN THR 69 1.912 4.165 3.237 509 HA THR 69 HA THR 69 -0.048 6.203 2.677 510 HB THR 69 HB THR 69 2.547 7.060 3.777 511 HG1 THR 69 HG1 THR 69 2.730 5.429 5.068 512 1HG2 THR 69 HG21 THR 69 -0.244 7.687 4.102 513 2HG2 THR 69 HG22 THR 69 1.184 8.633 4.522 514 3HG2 THR 69 HG23 THR 69 0.548 7.442 5.658 515 H PHE 70 HN PHE 70 0.015 6.352 0.408 516 HA PHE 70 HA PHE 70 2.408 6.907 -1.020 517 1HB PHE 70 HB2 PHE 70 -0.510 7.291 -1.732 518 2HB PHE 70 HB1 PHE 70 0.819 7.497 -2.863 519 HD1 PHE 70 HD1 PHE 70 -1.285 5.117 -1.111 520 HD2 PHE 70 HD2 PHE 70 2.160 5.562 -3.564 521 HE1 PHE 70 HE1 PHE 70 -1.363 2.717 -1.654 522 HE2 PHE 70 HE2 PHE 70 2.092 3.167 -4.106 523 HZ PHE 70 HZ PHE 70 0.327 1.741 -3.162 524 H ASP 71 HN ASP 71 3.547 8.689 -0.569 525 HA ASP 71 HA ASP 71 2.400 11.083 0.428 526 1HB ASP 71 HB2 ASP 71 4.693 10.476 0.946 527 2HB ASP 71 HB1 ASP 71 5.128 10.583 -0.755 528 H PHE 72 HN PHE 72 0.975 12.040 -0.816 529 HA PHE 72 HA PHE 72 1.690 12.701 -3.589 530 1HB PHE 72 HB2 PHE 72 -0.849 12.112 -2.210 531 2HB PHE 72 HB1 PHE 72 -0.921 13.460 -3.341 532 HD1 PHE 72 HD1 PHE 72 -0.695 13.114 -5.703 533 HD2 PHE 72 HD2 PHE 72 -0.352 9.860 -2.983 534 HE1 PHE 72 HE1 PHE 72 -0.898 11.533 -7.576 535 HE2 PHE 72 HE2 PHE 72 -0.554 8.273 -4.850 536 HZ PHE 72 HZ PHE 72 -0.825 9.109 -7.151 537 H GLY 73 HN GLY 73 2.704 14.074 -1.188 538 1HA GLY 73 HA2 GLY 73 3.275 16.257 -0.730 539 2HA GLY 73 HA1 GLY 73 2.269 16.752 -2.080 540 H VAL 74 HN VAL 74 0.210 14.938 -0.419 541 HA VAL 74 HA VAL 74 -0.582 17.097 1.418 542 HB VAL 74 HB VAL 74 -2.961 16.476 0.927 543 1HG1 VAL 74 HG11 VAL 74 -1.308 17.551 -1.355 544 2HG1 VAL 74 HG12 VAL 74 -2.000 18.479 -0.025 545 3HG1 VAL 74 HG13 VAL 74 -3.058 17.711 -1.208 546 1HG2 VAL 74 HG21 VAL 74 -1.711 14.989 -1.382 547 2HG2 VAL 74 HG22 VAL 74 -3.435 15.291 -1.167 548 3HG2 VAL 74 HG23 VAL 74 -2.570 14.267 -0.021 549 H GLY 75 HN GLY 75 0.955 15.010 2.294 550 1HA GLY 75 HA2 GLY 75 -0.038 12.658 3.141 551 2HA GLY 75 HA1 GLY 75 0.969 13.653 4.174 552 H THR 76 HN THR 76 -1.067 15.766 4.288 553 HA THR 76 HA THR 76 -2.262 15.353 6.666 554 HB THR 76 HB THR 76 -3.458 16.793 4.296 555 HG1 THR 76 HG1 THR 76 -2.187 18.379 4.834 556 1HG2 THR 76 HG21 THR 76 -4.081 17.265 7.197 557 2HG2 THR 76 HG22 THR 76 -5.122 16.364 6.094 558 3HG2 THR 76 HG23 THR 76 -4.789 18.070 5.796 559 H LYS 77 HN LYS 77 -3.659 14.433 3.538 560 HA LYS 77 HA LYS 77 -5.251 12.423 4.891 561 1HB LYS 77 HB2 LYS 77 -7.266 13.034 3.595 562 2HB LYS 77 HB1 LYS 77 -6.772 14.300 4.711 563 1HG LYS 77 HG2 LYS 77 -5.468 15.128 2.533 564 2HG LYS 77 HG1 LYS 77 -6.806 14.277 1.759 565 1HD LYS 77 HD2 LYS 77 -7.825 16.285 2.004 566 2HD LYS 77 HD1 LYS 77 -8.172 15.648 3.613 567 1HE LYS 77 HE2 LYS 77 -7.323 17.903 3.795 568 2HE LYS 77 HE1 LYS 77 -6.151 16.769 4.465 569 1HZ LYS 77 HZ1 LYS 77 -4.792 16.979 2.566 570 2HZ LYS 77 HZ2 LYS 77 -5.223 18.557 2.997 571 3HZ LYS 77 HZ3 LYS 77 -5.985 17.799 1.691 572 H ASN 78 HN ASN 78 -2.903 12.724 2.938 573 HA ASN 78 HA ASN 78 -3.421 11.918 0.406 574 1HB ASN 78 HB2 ASN 78 -1.214 11.273 0.313 575 2HB ASN 78 HB1 ASN 78 -1.196 12.306 1.724 576 1HD2 ASN 78 HD21 ASN 78 0.689 10.277 1.112 577 2HD2 ASN 78 HD22 ASN 78 0.604 9.091 2.365 578 HA PRO 79 HA PRO 79 -5.400 7.999 0.397 579 1HB PRO 79 HB2 PRO 79 -4.066 6.761 -1.676 580 2HB PRO 79 HB1 PRO 79 -5.396 7.901 -1.879 581 1HG PRO 79 HG2 PRO 79 -2.451 8.360 -2.090 582 2HG PRO 79 HG1 PRO 79 -3.766 9.034 -3.071 583 1HD PRO 79 HD2 PRO 79 -2.546 10.466 -1.145 584 2HD PRO 79 HD1 PRO 79 -4.275 10.654 -1.500 585 H LYS 80 HN LYS 80 -4.779 7.069 2.314 586 HA LYS 80 HA LYS 80 -2.237 5.631 2.431 587 1HB LYS 80 HB2 LYS 80 -3.106 5.137 4.823 588 2HB LYS 80 HB1 LYS 80 -2.559 6.763 4.441 589 1HG LYS 80 HG2 LYS 80 -5.413 6.296 3.968 590 2HG LYS 80 HG1 LYS 80 -4.907 6.159 5.653 591 1HD LYS 80 HD2 LYS 80 -4.603 8.366 5.844 592 2HD LYS 80 HD1 LYS 80 -3.737 8.460 4.309 593 1HE LYS 80 HE2 LYS 80 -5.599 9.734 3.857 594 2HE LYS 80 HE1 LYS 80 -6.113 8.149 3.278 595 1HZ LYS 80 HZ1 LYS 80 -7.878 8.488 4.577 596 2HZ LYS 80 HZ2 LYS 80 -7.135 9.726 5.457 597 3HZ LYS 80 HZ3 LYS 80 -6.858 8.109 5.873 598 H LEU 81 HN LEU 81 -2.147 3.552 1.898 599 HA LEU 81 HA LEU 81 -4.639 2.063 1.704 600 1HB LEU 81 HB2 LEU 81 -3.673 1.767 -0.318 601 2HB LEU 81 HB1 LEU 81 -2.055 2.007 0.299 602 HG LEU 81 HG LEU 81 -1.839 -0.252 0.927 603 1HD1 LEU 81 HD11 LEU 81 -4.197 -1.559 0.232 604 2HD1 LEU 81 HD12 LEU 81 -4.715 -0.142 1.144 605 3HD1 LEU 81 HD13 LEU 81 -3.577 -1.284 1.860 606 1HD2 LEU 81 HD21 LEU 81 -2.113 0.451 -1.632 607 2HD2 LEU 81 HD22 LEU 81 -3.409 -0.741 -1.527 608 3HD2 LEU 81 HD23 LEU 81 -1.754 -1.200 -1.124 609 H THR 82 HN THR 82 -4.912 1.629 3.903 610 HA THR 82 HA THR 82 -2.941 0.378 5.509 611 HB THR 82 HB THR 82 -5.745 -0.076 6.262 612 HG1 THR 82 HG1 THR 82 -4.755 2.543 5.832 613 1HG2 THR 82 HG21 THR 82 -4.050 1.703 7.856 614 2HG2 THR 82 HG22 THR 82 -3.427 0.068 7.636 615 3HG2 THR 82 HG23 THR 82 -5.025 0.316 8.341 616 H ILE 83 HN ILE 83 -2.171 -1.428 4.425 617 HA ILE 83 HA ILE 83 -4.006 -3.602 3.805 618 HB ILE 83 HB ILE 83 -2.311 -3.232 2.159 619 1HG1 ILE 83 HG12 ILE 83 -1.461 -5.641 3.778 620 2HG1 ILE 83 HG11 ILE 83 -2.875 -5.602 2.730 621 1HG2 ILE 83 HG21 ILE 83 0.109 -3.888 3.453 622 2HG2 ILE 83 HG22 ILE 83 -0.682 -2.646 4.423 623 3HG2 ILE 83 HG23 ILE 83 -0.354 -2.355 2.715 624 1HD1 ILE 83 HD11 ILE 83 -0.403 -6.434 1.990 625 2HD1 ILE 83 HD12 ILE 83 -0.398 -4.762 1.431 626 3HD1 ILE 83 HD13 ILE 83 -1.654 -5.871 0.882 627 H THR 84 HN THR 84 -4.309 -5.337 5.063 628 HA THR 84 HA THR 84 -2.859 -5.482 7.590 629 HB THR 84 HB THR 84 -4.973 -7.456 7.153 630 HG1 THR 84 HG1 THR 84 -5.709 -4.722 7.179 631 1HG2 THR 84 HG21 THR 84 -5.867 -6.052 9.197 632 2HG2 THR 84 HG22 THR 84 -4.189 -5.509 9.243 633 3HG2 THR 84 HG23 THR 84 -4.564 -7.227 9.372 634 H VAL 85 HN VAL 85 -1.194 -6.798 7.804 635 HA VAL 85 HA VAL 85 -0.925 -9.084 5.980 636 HB VAL 85 HB VAL 85 1.445 -8.736 7.510 637 1HG1 VAL 85 HG11 VAL 85 2.328 -9.169 5.517 638 2HG1 VAL 85 HG12 VAL 85 1.598 -7.730 4.804 639 3HG1 VAL 85 HG13 VAL 85 0.682 -9.233 4.891 640 1HG2 VAL 85 HG21 VAL 85 0.969 -6.498 8.036 641 2HG2 VAL 85 HG22 VAL 85 0.288 -6.176 6.443 642 3HG2 VAL 85 HG23 VAL 85 2.026 -6.411 6.628 643 H LEU 86 HN LEU 86 -1.798 -10.864 6.865 644 HA LEU 86 HA LEU 86 -1.023 -11.523 9.626 645 1HB LEU 86 HB2 LEU 86 -3.258 -12.941 9.433 646 2HB LEU 86 HB1 LEU 86 -3.251 -11.276 9.984 647 HG LEU 86 HG LEU 86 -3.567 -11.644 7.072 648 1HD1 LEU 86 HD11 LEU 86 -4.946 -13.453 8.413 649 2HD1 LEU 86 HD12 LEU 86 -5.642 -12.587 7.044 650 3HD1 LEU 86 HD13 LEU 86 -6.018 -12.080 8.691 651 1HD2 LEU 86 HD21 LEU 86 -5.243 -10.037 8.972 652 2HD2 LEU 86 HD22 LEU 86 -4.939 -9.758 7.258 653 3HD2 LEU 86 HD23 LEU 86 -3.656 -9.484 8.436 654 HA PRO 87 HA PRO 87 0.662 -14.841 6.915 655 1HB PRO 87 HB2 PRO 87 2.789 -15.372 8.522 656 2HB PRO 87 HB1 PRO 87 2.799 -14.102 7.300 657 1HG PRO 87 HG2 PRO 87 2.353 -13.885 10.246 658 2HG PRO 87 HG1 PRO 87 3.307 -12.838 9.179 659 1HD PRO 87 HD2 PRO 87 0.820 -12.182 10.026 660 2HD PRO 87 HD1 PRO 87 1.449 -11.688 8.443 661 H LYS 88 HN LYS 88 0.051 -14.626 10.260 662 HA LYS 88 HA LYS 88 0.208 -17.349 10.969 663 1HB LYS 88 HB2 LYS 88 -1.720 -16.084 12.629 664 2HB LYS 88 HB1 LYS 88 -0.054 -16.487 13.006 665 1HG LYS 88 HG2 LYS 88 -0.252 -14.204 13.458 666 2HG LYS 88 HG1 LYS 88 0.576 -14.284 11.905 667 1HD LYS 88 HD2 LYS 88 -0.978 -12.769 11.295 668 2HD LYS 88 HD1 LYS 88 -1.986 -14.199 11.072 669 1HE LYS 88 HE2 LYS 88 -2.840 -12.153 12.467 670 2HE LYS 88 HE1 LYS 88 -3.207 -13.801 12.969 671 1HZ LYS 88 HZ1 LYS 88 -2.327 -12.143 14.699 672 2HZ LYS 88 HZ2 LYS 88 -0.813 -12.422 13.999 673 3HZ LYS 88 HZ3 LYS 88 -1.678 -13.705 14.682 674 H ASP 89 HN ASP 89 -1.245 -18.980 10.903 675 HA ASP 89 HA ASP 89 -3.522 -18.678 9.197 676 1HB ASP 89 HB2 ASP 89 -3.616 -21.209 10.378 677 2HB ASP 89 HB1 ASP 89 -2.975 -20.804 8.796 678 H ILE 90 HN ILE 90 -5.399 -17.929 9.904 679 HA ILE 90 HA ILE 90 -6.661 -19.033 12.195 680 HB ILE 90 HB ILE 90 -5.462 -16.344 12.388 681 1HG1 ILE 90 HG12 ILE 90 -6.032 -18.637 14.257 682 2HG1 ILE 90 HG11 ILE 90 -4.470 -18.011 13.741 683 1HG2 ILE 90 HG21 ILE 90 -7.797 -15.748 12.420 684 2HG2 ILE 90 HG22 ILE 90 -7.156 -15.644 14.059 685 3HG2 ILE 90 HG23 ILE 90 -8.145 -17.025 13.586 686 1HD1 ILE 90 HD11 ILE 90 -5.621 -15.847 14.974 687 2HD1 ILE 90 HD12 ILE 90 -4.439 -16.945 15.687 688 3HD1 ILE 90 HD13 ILE 90 -6.163 -17.208 15.956 689 HA PRO 91 HA PRO 91 -9.726 -16.055 10.068 690 1HB PRO 91 HB2 PRO 91 -8.745 -14.204 8.362 691 2HB PRO 91 HB1 PRO 91 -8.803 -13.945 10.109 692 1HG PRO 91 HG2 PRO 91 -6.494 -14.729 8.384 693 2HG PRO 91 HG1 PRO 91 -6.536 -13.625 9.770 694 1HD PRO 91 HD2 PRO 91 -5.660 -16.236 9.902 695 2HD PRO 91 HD1 PRO 91 -6.300 -15.340 11.281 696 H GLY 92 HN GLY 92 -10.745 -15.842 7.907 697 1HA GLY 92 HA2 GLY 92 -10.518 -16.290 5.499 698 2HA GLY 92 HA1 GLY 92 -9.478 -17.638 5.931 699 H LEU 93 HN LEU 93 -12.282 -17.040 7.857 700 HA LEU 93 HA LEU 93 -13.344 -19.621 7.286 701 1HB LEU 93 HB2 LEU 93 -13.572 -17.871 9.362 702 2HB LEU 93 HB1 LEU 93 -15.124 -17.663 8.574 703 HG LEU 93 HG LEU 93 -15.106 -20.325 8.665 704 1HD1 LEU 93 HD11 LEU 93 -14.195 -20.710 11.128 705 2HD1 LEU 93 HD12 LEU 93 -13.073 -19.443 10.633 706 3HD1 LEU 93 HD13 LEU 93 -13.180 -20.938 9.703 707 1HD2 LEU 93 HD21 LEU 93 -15.862 -18.386 10.835 708 2HD2 LEU 93 HD22 LEU 93 -16.278 -20.098 10.897 709 3HD2 LEU 93 HD23 LEU 93 -16.892 -19.088 9.588 710 H GLU 94 HN GLU 94 -13.581 -19.407 4.959 711 HA GLU 94 HA GLU 94 -15.453 -17.572 3.837 712 1HB GLU 94 HB2 GLU 94 -13.567 -18.629 2.580 713 2HB GLU 94 HB1 GLU 94 -14.435 -20.156 2.647 714 1HG GLU 94 HG2 GLU 94 -16.072 -19.445 1.182 715 2HG GLU 94 HG1 GLU 94 -15.753 -17.739 1.494 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -4.209 20.926 -1.426 2 2H MET 1 HT2 MET 1 -5.869 21.248 -1.714 3 3H MET 1 HT3 MET 1 -4.909 22.381 -0.852 4 HA MET 1 HA MET 1 -5.295 23.120 -3.061 5 1HB MET 1 HB2 MET 1 -2.769 23.116 -3.731 6 2HB MET 1 HB1 MET 1 -3.276 23.920 -2.253 7 1HG MET 1 HG2 MET 1 -2.364 21.077 -2.195 8 2HG MET 1 HG1 MET 1 -1.195 22.394 -2.226 9 1HE MET 1 HE1 MET 1 -1.479 24.406 -0.861 10 2HE MET 1 HE2 MET 1 -1.392 24.205 0.883 11 3HE MET 1 HE3 MET 1 -2.924 24.622 0.118 12 H GLN 2 HN GLN 2 -3.721 19.946 -2.945 13 HA GLN 2 HA GLN 2 -4.118 19.631 -5.827 14 1HB GLN 2 HB2 GLN 2 -2.887 17.472 -4.191 15 2HB GLN 2 HB1 GLN 2 -2.475 18.031 -5.807 16 1HG GLN 2 HG2 GLN 2 -1.424 20.019 -4.851 17 2HG GLN 2 HG1 GLN 2 -1.824 19.445 -3.231 18 1HE2 GLN 2 HE21 GLN 2 0.463 19.584 -2.841 19 2HE2 GLN 2 HE22 GLN 2 1.492 18.287 -3.330 20 H ASP 3 HN ASP 3 -5.076 17.654 -6.656 21 HA ASP 3 HA ASP 3 -6.928 16.331 -4.810 22 1HB ASP 3 HB2 ASP 3 -7.670 18.188 -6.825 23 2HB ASP 3 HB1 ASP 3 -8.226 16.595 -7.320 24 HA PRO 4 HA PRO 4 -4.910 13.238 -7.561 25 1HB PRO 4 HB2 PRO 4 -3.605 11.824 -5.713 26 2HB PRO 4 HB1 PRO 4 -2.970 13.362 -6.303 27 1HG PRO 4 HG2 PRO 4 -4.341 12.737 -3.735 28 2HG PRO 4 HG1 PRO 4 -3.032 13.886 -4.057 29 1HD PRO 4 HD2 PRO 4 -5.764 14.502 -3.820 30 2HD PRO 4 HD1 PRO 4 -4.501 15.564 -4.468 31 H THR 5 HN THR 5 -5.188 10.873 -7.619 32 HA THR 5 HA THR 5 -7.466 10.004 -5.968 33 HB THR 5 HB THR 5 -7.082 8.838 -8.682 34 HG1 THR 5 HG1 THR 5 -8.438 11.284 -8.235 35 1HG2 THR 5 HG21 THR 5 -9.725 9.350 -8.374 36 2HG2 THR 5 HG22 THR 5 -9.229 9.044 -6.711 37 3HG2 THR 5 HG23 THR 5 -8.935 7.831 -7.958 38 H ILE 6 HN ILE 6 -7.688 7.469 -6.196 39 HA ILE 6 HA ILE 6 -5.280 5.975 -6.481 40 HB ILE 6 HB ILE 6 -4.732 7.116 -4.385 41 1HG1 ILE 6 HG12 ILE 6 -4.447 5.011 -2.965 42 2HG1 ILE 6 HG11 ILE 6 -5.309 4.163 -4.242 43 1HG2 ILE 6 HG21 ILE 6 -6.728 7.643 -3.338 44 2HG2 ILE 6 HG22 ILE 6 -6.139 6.303 -2.351 45 3HG2 ILE 6 HG23 ILE 6 -7.390 6.024 -3.563 46 1HD1 ILE 6 HD11 ILE 6 -2.645 5.522 -4.387 47 2HD1 ILE 6 HD12 ILE 6 -3.549 5.044 -5.825 48 3HD1 ILE 6 HD13 ILE 6 -3.030 3.823 -4.664 49 H ASN 7 HN ASN 7 -5.626 3.759 -6.363 50 HA ASN 7 HA ASN 7 -8.216 2.873 -6.794 51 1HB ASN 7 HB2 ASN 7 -7.073 0.543 -6.202 52 2HB ASN 7 HB1 ASN 7 -6.875 1.355 -7.739 53 1HD2 ASN 7 HD21 ASN 7 -5.373 2.566 -4.828 54 2HD2 ASN 7 HD22 ASN 7 -3.758 2.161 -5.264 55 HA PRO 8 HA PRO 8 -9.405 1.583 -2.820 56 1HB PRO 8 HB2 PRO 8 -8.183 -0.344 -1.480 57 2HB PRO 8 HB1 PRO 8 -9.027 -0.668 -2.969 58 1HG PRO 8 HG2 PRO 8 -6.156 -0.705 -2.403 59 2HG PRO 8 HG1 PRO 8 -7.030 -1.376 -3.787 60 1HD PRO 8 HD2 PRO 8 -5.611 1.150 -3.565 61 2HD PRO 8 HD1 PRO 8 -6.279 0.358 -4.998 62 H THR 9 HN THR 9 -8.876 1.063 -0.244 63 HA THR 9 HA THR 9 -6.906 3.066 0.567 64 HB THR 9 HB THR 9 -9.535 3.568 0.657 65 HG1 THR 9 HG1 THR 9 -8.931 5.254 1.808 66 1HG2 THR 9 HG21 THR 9 -10.398 3.349 2.895 67 2HG2 THR 9 HG22 THR 9 -8.944 2.488 3.401 68 3HG2 THR 9 HG23 THR 9 -10.039 1.756 2.229 69 H SER 10 HN SER 10 -8.249 -0.021 1.050 70 HA SER 10 HA SER 10 -6.166 -0.772 2.814 71 1HB SER 10 HB2 SER 10 -7.434 0.418 4.487 72 2HB SER 10 HB1 SER 10 -8.911 -0.432 4.037 73 HG SER 10 HG SER 10 -6.605 -1.803 4.928 74 H ILE 11 HN ILE 11 -6.043 -2.953 3.197 75 HA ILE 11 HA ILE 11 -8.155 -4.732 2.301 76 HB ILE 11 HB ILE 11 -6.349 -6.067 1.009 77 1HG1 ILE 11 HG12 ILE 11 -5.167 -3.287 0.998 78 2HG1 ILE 11 HG11 ILE 11 -4.410 -4.762 1.585 79 1HG2 ILE 11 HG21 ILE 11 -7.518 -3.535 -0.129 80 2HG2 ILE 11 HG22 ILE 11 -8.330 -5.097 -0.015 81 3HG2 ILE 11 HG23 ILE 11 -6.926 -4.909 -1.065 82 1HD1 ILE 11 HD11 ILE 11 -5.212 -5.017 -1.169 83 2HD1 ILE 11 HD12 ILE 11 -3.629 -5.248 -0.425 84 3HD1 ILE 11 HD13 ILE 11 -4.143 -3.637 -0.923 85 H SER 12 HN SER 12 -7.367 -7.100 2.657 86 HA SER 12 HA SER 12 -5.540 -7.223 4.952 87 1HB SER 12 HB2 SER 12 -7.669 -9.087 5.381 88 2HB SER 12 HB1 SER 12 -7.168 -7.736 6.397 89 HG SER 12 HG SER 12 -8.976 -6.849 5.830 90 H ALA 13 HN ALA 13 -4.293 -9.012 5.092 91 HA ALA 13 HA ALA 13 -4.858 -11.475 3.812 92 1HB ALA 13 HB1 ALA 13 -2.472 -10.673 2.465 93 2HB ALA 13 HB2 ALA 13 -3.745 -9.497 2.134 94 3HB ALA 13 HB3 ALA 13 -4.009 -11.205 1.779 95 H LYS 14 HN LYS 14 -3.333 -13.087 4.333 96 HA LYS 14 HA LYS 14 -1.841 -12.593 6.711 97 1HB LYS 14 HB2 LYS 14 -2.766 -14.762 6.511 98 2HB LYS 14 HB1 LYS 14 -2.113 -14.981 4.896 99 1HG LYS 14 HG2 LYS 14 0.169 -14.972 5.907 100 2HG LYS 14 HG1 LYS 14 -0.599 -14.978 7.493 101 1HD LYS 14 HD2 LYS 14 0.071 -17.236 6.700 102 2HD LYS 14 HD1 LYS 14 -1.651 -17.090 7.034 103 1HE LYS 14 HE2 LYS 14 -0.835 -16.474 4.274 104 2HE LYS 14 HE1 LYS 14 -0.618 -18.154 4.770 105 1HZ LYS 14 HZ1 LYS 14 -3.062 -16.649 4.334 106 2HZ LYS 14 HZ2 LYS 14 -3.072 -17.672 5.682 107 3HZ LYS 14 HZ3 LYS 14 -2.756 -18.303 4.144 108 H ALA 15 HN ALA 15 0.449 -12.694 6.994 109 HA ALA 15 HA ALA 15 1.874 -11.339 5.007 110 1HB ALA 15 HB1 ALA 15 2.337 -11.864 7.651 111 2HB ALA 15 HB2 ALA 15 3.497 -11.120 6.546 112 3HB ALA 15 HB3 ALA 15 3.561 -12.855 6.859 113 H GLY 16 HN GLY 16 2.119 -12.113 3.130 114 1HA GLY 16 HA2 GLY 16 3.819 -13.513 1.910 115 2HA GLY 16 HA1 GLY 16 3.124 -14.863 2.805 116 H SER 17 HN SER 17 0.419 -13.980 2.693 117 HA SER 17 HA SER 17 -0.314 -15.025 0.153 118 1HB SER 17 HB2 SER 17 -2.530 -13.793 1.311 119 2HB SER 17 HB1 SER 17 -2.090 -15.489 1.445 120 HG SER 17 HG SER 17 -1.545 -13.363 3.211 121 H PHE 18 HN PHE 18 1.119 -12.290 0.664 122 HA PHE 18 HA PHE 18 -0.677 -10.515 -0.740 123 1HB PHE 18 HB2 PHE 18 1.916 -10.201 0.708 124 2HB PHE 18 HB1 PHE 18 1.252 -8.919 -0.266 125 HD1 PHE 18 HD1 PHE 18 1.357 -10.329 2.936 126 HD2 PHE 18 HD2 PHE 18 -1.214 -8.240 0.267 127 HE1 PHE 18 HE1 PHE 18 -0.024 -9.613 4.838 128 HE2 PHE 18 HE2 PHE 18 -2.603 -7.520 2.167 129 HZ PHE 18 HZ PHE 18 -2.006 -8.208 4.457 130 H ALA 19 HN ALA 19 -0.539 -11.697 -2.731 131 HA ALA 19 HA ALA 19 1.920 -12.038 -4.113 132 1HB ALA 19 HB1 ALA 19 0.428 -13.446 -5.063 133 2HB ALA 19 HB2 ALA 19 0.113 -12.066 -6.114 134 3HB ALA 19 HB3 ALA 19 -0.936 -12.385 -4.736 135 H ASP 20 HN ASP 20 3.006 -10.683 -5.455 136 HA ASP 20 HA ASP 20 3.015 -8.020 -5.326 137 1HB ASP 20 HB2 ASP 20 4.652 -9.210 -6.656 138 2HB ASP 20 HB1 ASP 20 3.427 -9.633 -7.847 139 H THR 21 HN THR 21 1.893 -6.251 -6.067 140 HA THR 21 HA THR 21 -0.213 -6.655 -8.021 141 HB THR 21 HB THR 21 -0.719 -5.777 -5.182 142 HG1 THR 21 HG1 THR 21 -2.135 -7.661 -6.727 143 1HG2 THR 21 HG21 THR 21 -1.863 -4.250 -6.801 144 2HG2 THR 21 HG22 THR 21 -2.933 -5.153 -5.728 145 3HG2 THR 21 HG23 THR 21 -2.732 -5.662 -7.404 146 H LYS 22 HN LYS 22 -0.916 -4.780 -8.996 147 HA LYS 22 HA LYS 22 0.899 -2.557 -8.771 148 1HB LYS 22 HB2 LYS 22 -0.717 -2.036 -10.929 149 2HB LYS 22 HB1 LYS 22 0.866 -2.775 -10.995 150 1HG LYS 22 HG2 LYS 22 -0.583 -4.124 -12.282 151 2HG LYS 22 HG1 LYS 22 -0.263 -5.002 -10.786 152 1HD LYS 22 HD2 LYS 22 -2.443 -3.765 -9.981 153 2HD LYS 22 HD1 LYS 22 -2.761 -3.664 -11.714 154 1HE LYS 22 HE2 LYS 22 -2.201 -6.192 -10.168 155 2HE LYS 22 HE1 LYS 22 -3.786 -5.653 -10.716 156 1HZ LYS 22 HZ1 LYS 22 -3.259 -7.014 -12.425 157 2HZ LYS 22 HZ2 LYS 22 -1.588 -6.814 -12.244 158 3HZ LYS 22 HZ3 LYS 22 -2.506 -5.616 -13.012 159 H ILE 23 HN ILE 23 -0.089 -0.399 -9.277 160 HA ILE 23 HA ILE 23 -2.759 -0.003 -8.235 161 HB ILE 23 HB ILE 23 -0.298 0.855 -6.840 162 1HG1 ILE 23 HG12 ILE 23 -2.966 -0.257 -6.028 163 2HG1 ILE 23 HG11 ILE 23 -1.397 -1.045 -5.935 164 1HG2 ILE 23 HG21 ILE 23 -2.869 2.389 -6.908 165 2HG2 ILE 23 HG22 ILE 23 -1.232 2.984 -7.175 166 3HG2 ILE 23 HG23 ILE 23 -1.743 2.501 -5.558 167 1HD1 ILE 23 HD11 ILE 23 -2.315 1.288 -4.282 168 2HD1 ILE 23 HD12 ILE 23 -0.712 0.553 -4.214 169 3HD1 ILE 23 HD13 ILE 23 -2.130 -0.376 -3.742 170 H THR 24 HN THR 24 -3.585 2.157 -8.619 171 HA THR 24 HA THR 24 -2.028 3.615 -10.651 172 HB THR 24 HB THR 24 -5.027 3.621 -10.649 173 HG1 THR 24 HG1 THR 24 -4.656 1.473 -10.802 174 1HG2 THR 24 HG21 THR 24 -4.880 4.573 -12.653 175 2HG2 THR 24 HG22 THR 24 -3.578 3.505 -13.173 176 3HG2 THR 24 HG23 THR 24 -3.214 4.931 -12.203 177 H LEU 25 HN LEU 25 -1.278 5.347 -9.577 178 HA LEU 25 HA LEU 25 -3.039 6.784 -7.740 179 1HB LEU 25 HB2 LEU 25 -0.189 6.358 -8.025 180 2HB LEU 25 HB1 LEU 25 -0.565 8.058 -7.867 181 HG LEU 25 HG LEU 25 -1.601 5.994 -5.940 182 1HD1 LEU 25 HD11 LEU 25 0.423 5.755 -5.089 183 2HD1 LEU 25 HD12 LEU 25 0.451 7.483 -4.738 184 3HD1 LEU 25 HD13 LEU 25 1.090 6.884 -6.268 185 1HD2 LEU 25 HD21 LEU 25 -2.750 7.731 -5.169 186 2HD2 LEU 25 HD22 LEU 25 -1.938 8.830 -6.284 187 3HD2 LEU 25 HD23 LEU 25 -1.215 8.471 -4.715 188 H THR 26 HN THR 26 -4.355 8.194 -8.772 189 HA THR 26 HA THR 26 -3.709 9.399 -11.261 190 HB THR 26 HB THR 26 -5.828 10.208 -9.271 191 HG1 THR 26 HG1 THR 26 -7.161 8.926 -10.703 192 1HG2 THR 26 HG21 THR 26 -6.569 10.567 -12.000 193 2HG2 THR 26 HG22 THR 26 -5.080 11.453 -11.664 194 3HG2 THR 26 HG23 THR 26 -6.521 11.745 -10.689 195 HA PRO 27 HA PRO 27 -1.295 12.717 -9.400 196 1HB PRO 27 HB2 PRO 27 0.273 13.136 -11.445 197 2HB PRO 27 HB1 PRO 27 0.311 11.553 -10.656 198 1HG PRO 27 HG2 PRO 27 -1.147 12.359 -13.149 199 2HG PRO 27 HG1 PRO 27 -0.087 10.968 -12.896 200 1HD PRO 27 HD2 PRO 27 -2.823 10.865 -12.686 201 2HD PRO 27 HD1 PRO 27 -1.718 9.748 -11.858 202 H ASN 28 HN ASN 28 -3.691 12.846 -11.608 203 HA ASN 28 HA ASN 28 -3.689 14.876 -13.215 204 1HB ASN 28 HB2 ASN 28 -5.649 13.328 -12.350 205 2HB ASN 28 HB1 ASN 28 -6.062 14.764 -11.417 206 1HD2 ASN 28 HD21 ASN 28 -6.607 16.677 -12.524 207 2HD2 ASN 28 HD22 ASN 28 -7.164 16.636 -14.160 208 H GLY 29 HN GLY 29 -2.043 16.049 -12.053 209 1HA GLY 29 HA2 GLY 29 -1.812 18.431 -11.617 210 2HA GLY 29 HA1 GLY 29 -3.230 18.319 -10.589 211 H ASN 30 HN ASN 30 -2.134 15.740 -9.514 212 HA ASN 30 HA ASN 30 -0.380 16.924 -7.497 213 1HB ASN 30 HB2 ASN 30 -1.468 14.201 -7.148 214 2HB ASN 30 HB1 ASN 30 -1.295 15.498 -5.979 215 1HD2 ASN 30 HD21 ASN 30 -3.211 14.414 -8.730 216 2HD2 ASN 30 HD22 ASN 30 -4.670 15.204 -8.257 217 H THR 31 HN THR 31 1.198 15.325 -6.516 218 HA THR 31 HA THR 31 2.461 13.686 -8.610 219 HB THR 31 HB THR 31 3.831 15.601 -8.551 220 HG1 THR 31 HG1 THR 31 5.211 13.935 -8.404 221 1HG2 THR 31 HG21 THR 31 4.800 16.442 -6.374 222 2HG2 THR 31 HG22 THR 31 3.520 15.535 -5.572 223 3HG2 THR 31 HG23 THR 31 3.110 16.833 -6.694 224 H PHE 32 HN PHE 32 4.119 12.185 -7.665 225 HA PHE 32 HA PHE 32 3.238 11.161 -5.042 226 1HB PHE 32 HB2 PHE 32 2.388 9.710 -6.797 227 2HB PHE 32 HB1 PHE 32 3.988 9.591 -7.513 228 HD1 PHE 32 HD1 PHE 32 4.031 7.210 -7.448 229 HD2 PHE 32 HD2 PHE 32 3.488 9.461 -3.880 230 HE1 PHE 32 HE1 PHE 32 4.499 5.198 -6.116 231 HE2 PHE 32 HE2 PHE 32 3.958 7.451 -2.541 232 HZ PHE 32 HZ PHE 32 4.464 5.317 -3.660 233 H ASN 33 HN ASN 33 4.810 10.910 -3.580 234 HA ASN 33 HA ASN 33 7.591 11.168 -4.492 235 1HB ASN 33 HB2 ASN 33 6.143 12.311 -2.334 236 2HB ASN 33 HB1 ASN 33 7.373 11.258 -1.642 237 1HD2 ASN 33 HD21 ASN 33 6.755 14.305 -2.692 238 2HD2 ASN 33 HD22 ASN 33 8.371 14.844 -2.987 239 H GLY 34 HN GLY 34 5.419 9.070 -2.727 240 1HA GLY 34 HA2 GLY 34 6.245 6.645 -3.107 241 2HA GLY 34 HA1 GLY 34 7.623 7.202 -2.170 242 H ILE 35 HN ILE 35 6.702 5.237 -0.884 243 HA ILE 35 HA ILE 35 4.818 6.346 1.090 244 HB ILE 35 HB ILE 35 5.069 3.428 0.401 245 1HG1 ILE 35 HG12 ILE 35 2.913 5.417 -0.328 246 2HG1 ILE 35 HG11 ILE 35 4.018 4.626 -1.448 247 1HG2 ILE 35 HG21 ILE 35 4.443 3.887 2.712 248 2HG2 ILE 35 HG22 ILE 35 3.104 3.172 1.818 249 3HG2 ILE 35 HG23 ILE 35 3.115 4.904 2.152 250 1HD1 ILE 35 HD11 ILE 35 2.769 2.785 -1.540 251 2HD1 ILE 35 HD12 ILE 35 1.501 3.781 -0.827 252 3HD1 ILE 35 HD13 ILE 35 2.507 2.764 0.198 253 H SER 36 HN SER 36 6.104 6.933 2.663 254 HA SER 36 HA SER 36 8.557 5.748 3.384 255 1HB SER 36 HB2 SER 36 7.893 8.049 4.043 256 2HB SER 36 HB1 SER 36 6.720 7.366 5.171 257 HG SER 36 HG SER 36 8.332 6.641 6.434 258 H GLU 37 HN GLU 37 5.314 5.223 4.722 259 HA GLU 37 HA GLU 37 5.875 3.632 6.824 260 1HB GLU 37 HB2 GLU 37 3.697 2.730 5.073 261 2HB GLU 37 HB1 GLU 37 3.683 3.199 6.747 262 1HG GLU 37 HG2 GLU 37 3.837 5.585 5.957 263 2HG GLU 37 HG1 GLU 37 3.462 4.952 4.354 264 H LEU 38 HN LEU 38 6.212 3.041 3.431 265 HA LEU 38 HA LEU 38 7.456 0.471 3.996 266 1HB LEU 38 HB2 LEU 38 6.171 0.221 1.489 267 2HB LEU 38 HB1 LEU 38 5.897 -0.701 2.949 268 HG LEU 38 HG LEU 38 4.537 1.928 2.687 269 1HD1 LEU 38 HD11 LEU 38 3.926 1.160 0.590 270 2HD1 LEU 38 HD12 LEU 38 2.625 0.560 1.621 271 3HD1 LEU 38 HD13 LEU 38 3.914 -0.522 1.100 272 1HD2 LEU 38 HD21 LEU 38 4.131 0.924 4.735 273 2HD2 LEU 38 HD22 LEU 38 4.059 -0.688 4.038 274 3HD2 LEU 38 HD23 LEU 38 2.732 0.438 3.778 275 H GLN 39 HN GLN 39 9.358 1.679 3.733 276 HA GLN 39 HA GLN 39 10.320 3.381 2.061 277 1HB GLN 39 HB2 GLN 39 12.482 1.984 1.967 278 2HB GLN 39 HB1 GLN 39 11.884 2.497 3.539 279 1HG GLN 39 HG2 GLN 39 10.924 0.309 3.922 280 2HG GLN 39 HG1 GLN 39 11.427 -0.210 2.314 281 1HE2 GLN 39 HE21 GLN 39 12.190 -0.305 5.504 282 2HE2 GLN 39 HE22 GLN 39 13.880 -0.644 5.390 283 H SER 40 HN SER 40 9.280 3.478 0.310 284 HA SER 40 HA SER 40 8.355 2.442 -1.726 285 1HB SER 40 HB2 SER 40 9.804 3.677 -3.376 286 2HB SER 40 HB1 SER 40 9.204 4.648 -2.033 287 HG SER 40 HG SER 40 11.793 3.537 -2.343 288 H SER 41 HN SER 41 11.747 1.725 -1.107 289 HA SER 41 HA SER 41 12.319 0.183 -3.332 290 1HB SER 41 HB2 SER 41 13.476 -1.064 -1.015 291 2HB SER 41 HB1 SER 41 14.262 -0.074 -2.243 292 HG SER 41 HG SER 41 14.515 0.956 -0.301 293 H GLN 42 HN GLN 42 10.170 -0.501 -0.733 294 HA GLN 42 HA GLN 42 10.145 -3.310 -0.938 295 1HB GLN 42 HB2 GLN 42 7.897 -2.941 0.251 296 2HB GLN 42 HB1 GLN 42 9.371 -2.526 1.065 297 1HG GLN 42 HG2 GLN 42 7.641 -0.895 1.443 298 2HG GLN 42 HG1 GLN 42 8.997 -0.187 0.583 299 1HE2 GLN 42 HE21 GLN 42 6.254 -2.142 -0.441 300 2HE2 GLN 42 HE22 GLN 42 5.668 -1.024 -1.609 301 H TYR 43 HN TYR 43 8.669 -0.766 -2.660 302 HA TYR 43 HA TYR 43 7.224 -2.716 -4.329 303 1HB TYR 43 HB2 TYR 43 5.569 -0.975 -4.881 304 2HB TYR 43 HB1 TYR 43 5.554 -1.413 -3.187 305 HD1 TYR 43 HD1 TYR 43 4.581 0.491 -2.262 306 HD2 TYR 43 HD2 TYR 43 7.946 0.924 -4.830 307 HE1 TYR 43 HE1 TYR 43 4.735 2.864 -1.658 308 HE2 TYR 43 HE2 TYR 43 8.110 3.295 -4.224 309 HH TYR 43 HH TYR 43 7.413 4.866 -2.726 310 H THR 44 HN THR 44 6.527 -1.159 -6.386 311 HA THR 44 HA THR 44 8.971 0.012 -7.451 312 HB THR 44 HB THR 44 7.336 -2.074 -8.912 313 HG1 THR 44 HG1 THR 44 9.995 -2.299 -7.977 314 1HG2 THR 44 HG21 THR 44 9.747 -1.890 -10.177 315 2HG2 THR 44 HG22 THR 44 9.383 -0.205 -9.797 316 3HG2 THR 44 HG23 THR 44 8.236 -1.167 -10.730 317 H LYS 45 HN LYS 45 8.063 1.987 -7.372 318 HA LYS 45 HA LYS 45 5.459 2.625 -8.252 319 1HB LYS 45 HB2 LYS 45 6.950 4.964 -8.485 320 2HB LYS 45 HB1 LYS 45 5.983 4.469 -7.110 321 1HG LYS 45 HG2 LYS 45 7.883 3.563 -6.009 322 2HG LYS 45 HG1 LYS 45 8.875 3.720 -7.460 323 1HD LYS 45 HD2 LYS 45 9.564 5.584 -6.346 324 2HD LYS 45 HD1 LYS 45 8.182 6.266 -7.204 325 1HE LYS 45 HE2 LYS 45 7.060 6.646 -5.310 326 2HE LYS 45 HE1 LYS 45 7.450 5.053 -4.660 327 1HZ LYS 45 HZ1 LYS 45 8.799 6.102 -3.264 328 2HZ LYS 45 HZ2 LYS 45 8.638 7.574 -4.081 329 3HZ LYS 45 HZ3 LYS 45 9.807 6.457 -4.577 330 H GLY 46 HN GLY 46 5.081 4.307 -9.943 331 1HA GLY 46 HA2 GLY 46 6.806 4.369 -12.231 332 2HA GLY 46 HA1 GLY 46 5.397 3.341 -12.466 333 H THR 47 HN THR 47 6.431 6.603 -11.640 334 HA THR 47 HA THR 47 4.976 8.486 -11.389 335 HB THR 47 HB THR 47 5.459 7.928 -14.319 336 HG1 THR 47 HG1 THR 47 7.412 8.538 -13.912 337 1HG2 THR 47 HG21 THR 47 4.015 9.690 -14.495 338 2HG2 THR 47 HG22 THR 47 5.552 10.533 -14.300 339 3HG2 THR 47 HG23 THR 47 4.464 10.357 -12.923 340 H ASN 48 HN ASN 48 2.929 8.450 -10.732 341 HA ASN 48 HA ASN 48 0.664 8.706 -10.987 342 1HB ASN 48 HB2 ASN 48 0.676 7.428 -13.691 343 2HB ASN 48 HB1 ASN 48 -0.404 8.657 -13.051 344 1HD2 ASN 48 HD21 ASN 48 1.885 10.200 -11.987 345 2HD2 ASN 48 HD22 ASN 48 2.576 10.981 -13.361 346 H GLU 49 HN GLU 49 2.450 5.884 -11.278 347 HA GLU 49 HA GLU 49 0.245 4.329 -10.175 348 1HB GLU 49 HB2 GLU 49 1.573 3.817 -12.780 349 2HB GLU 49 HB1 GLU 49 1.259 2.423 -11.760 350 1HG GLU 49 HG2 GLU 49 -0.972 2.540 -12.048 351 2HG GLU 49 HG1 GLU 49 -0.980 4.299 -12.141 352 H VAL 50 HN VAL 50 1.030 2.198 -9.349 353 HA VAL 50 HA VAL 50 3.835 1.844 -8.905 354 HB VAL 50 HB VAL 50 3.628 3.480 -7.242 355 1HG1 VAL 50 HG11 VAL 50 1.885 3.691 -5.666 356 2HG1 VAL 50 HG12 VAL 50 1.263 2.082 -6.033 357 3HG1 VAL 50 HG13 VAL 50 1.101 3.382 -7.212 358 1HG2 VAL 50 HG21 VAL 50 3.215 1.135 -5.478 359 2HG2 VAL 50 HG22 VAL 50 4.476 2.363 -5.445 360 3HG2 VAL 50 HG23 VAL 50 4.538 1.071 -6.641 361 H THR 51 HN THR 51 4.341 -0.179 -8.223 362 HA THR 51 HA THR 51 2.095 -1.965 -7.594 363 HB THR 51 HB THR 51 3.243 -2.039 -9.963 364 HG1 THR 51 HG1 THR 51 2.789 -4.312 -9.986 365 1HG2 THR 51 HG21 THR 51 5.091 -3.759 -8.332 366 2HG2 THR 51 HG22 THR 51 5.522 -2.343 -9.290 367 3HG2 THR 51 HG23 THR 51 4.949 -3.804 -10.090 368 H LEU 52 HN LEU 52 2.326 -3.109 -5.788 369 HA LEU 52 HA LEU 52 4.857 -2.959 -4.372 370 1HB LEU 52 HB2 LEU 52 3.210 -4.575 -2.849 371 2HB LEU 52 HB1 LEU 52 3.530 -2.882 -2.609 372 HG LEU 52 HG LEU 52 1.177 -3.343 -2.481 373 1HD1 LEU 52 HD11 LEU 52 0.743 -1.941 -4.856 374 2HD1 LEU 52 HD12 LEU 52 2.355 -1.471 -4.310 375 3HD1 LEU 52 HD13 LEU 52 0.968 -1.277 -3.240 376 1HD2 LEU 52 HD21 LEU 52 0.375 -5.008 -3.701 377 2HD2 LEU 52 HD22 LEU 52 1.708 -4.917 -4.847 378 3HD2 LEU 52 HD23 LEU 52 0.307 -3.862 -5.037 379 H LEU 53 HN LEU 53 6.076 -4.744 -3.686 380 HA LEU 53 HA LEU 53 5.569 -7.107 -5.324 381 1HB LEU 53 HB2 LEU 53 8.190 -6.479 -4.002 382 2HB LEU 53 HB1 LEU 53 7.886 -7.552 -5.352 383 HG LEU 53 HG LEU 53 7.227 -4.697 -5.784 384 1HD1 LEU 53 HD11 LEU 53 9.467 -4.902 -4.481 385 2HD1 LEU 53 HD12 LEU 53 9.384 -3.896 -5.928 386 3HD1 LEU 53 HD13 LEU 53 10.091 -5.511 -6.013 387 1HD2 LEU 53 HD21 LEU 53 7.495 -6.992 -7.327 388 2HD2 LEU 53 HD22 LEU 53 8.923 -6.029 -7.706 389 3HD2 LEU 53 HD23 LEU 53 7.316 -5.336 -7.912 390 H ALA 54 HN ALA 54 4.994 -8.916 -4.433 391 HA ALA 54 HA ALA 54 4.283 -9.341 -1.841 392 1HB ALA 54 HB1 ALA 54 4.364 -11.741 -2.341 393 2HB ALA 54 HB2 ALA 54 5.284 -11.393 -3.805 394 3HB ALA 54 HB3 ALA 54 3.627 -10.813 -3.645 395 H SER 55 HN SER 55 7.470 -8.969 -2.890 396 HA SER 55 HA SER 55 8.744 -10.798 -1.132 397 1HB SER 55 HB2 SER 55 9.559 -8.816 -3.073 398 2HB SER 55 HB1 SER 55 10.543 -8.695 -1.616 399 HG SER 55 HG SER 55 10.412 -10.702 -3.505 400 H TYR 56 HN TYR 56 7.948 -7.360 -0.904 401 HA TYR 56 HA TYR 56 9.071 -7.196 1.764 402 1HB TYR 56 HB2 TYR 56 9.057 -5.280 0.088 403 2HB TYR 56 HB1 TYR 56 7.330 -5.140 0.404 404 HD1 TYR 56 HD1 TYR 56 6.593 -3.776 2.133 405 HD2 TYR 56 HD2 TYR 56 10.614 -5.165 2.173 406 HE1 TYR 56 HE1 TYR 56 7.059 -2.348 4.080 407 HE2 TYR 56 HE2 TYR 56 11.091 -3.741 4.121 408 HH TYR 56 HH TYR 56 8.835 -1.367 5.260 409 H LEU 57 HN LEU 57 5.884 -7.004 0.259 410 HA LEU 57 HA LEU 57 4.354 -6.745 2.563 411 1HB LEU 57 HB2 LEU 57 2.928 -8.459 0.816 412 2HB LEU 57 HB1 LEU 57 2.696 -6.743 1.083 413 HG LEU 57 HG LEU 57 4.661 -7.868 -0.891 414 1HD1 LEU 57 HD11 LEU 57 1.798 -7.015 -1.250 415 2HD1 LEU 57 HD12 LEU 57 2.534 -8.557 -1.667 416 3HD1 LEU 57 HD13 LEU 57 2.946 -7.113 -2.584 417 1HD2 LEU 57 HD21 LEU 57 5.016 -5.705 -1.601 418 2HD2 LEU 57 HD22 LEU 57 4.781 -5.454 0.123 419 3HD2 LEU 57 HD23 LEU 57 3.461 -5.139 -0.994 420 H ASN 58 HN ASN 58 5.730 -9.599 1.013 421 HA ASN 58 HA ASN 58 4.475 -11.483 2.702 422 1HB ASN 58 HB2 ASN 58 5.446 -12.243 0.629 423 2HB ASN 58 HB1 ASN 58 7.037 -11.659 1.108 424 1HD2 ASN 58 HD21 ASN 58 7.996 -13.658 0.896 425 2HD2 ASN 58 HD22 ASN 58 7.698 -14.957 1.995 426 H THR 59 HN THR 59 7.310 -9.492 2.964 427 HA THR 59 HA THR 59 8.462 -10.841 5.195 428 HB THR 59 HB THR 59 8.946 -7.991 4.335 429 HG1 THR 59 HG1 THR 59 9.794 -10.421 3.236 430 1HG2 THR 59 HG21 THR 59 10.404 -7.982 5.998 431 2HG2 THR 59 HG22 THR 59 11.333 -9.172 5.087 432 3HG2 THR 59 HG23 THR 59 10.173 -9.704 6.305 433 H LEU 60 HN LEU 60 6.059 -8.393 4.782 434 HA LEU 60 HA LEU 60 5.963 -6.891 6.985 435 1HB LEU 60 HB2 LEU 60 3.614 -8.515 6.007 436 2HB LEU 60 HB1 LEU 60 3.520 -7.061 6.985 437 HG LEU 60 HG LEU 60 4.755 -7.087 4.244 438 1HD1 LEU 60 HD11 LEU 60 2.297 -5.806 4.085 439 2HD1 LEU 60 HD12 LEU 60 1.967 -7.282 4.989 440 3HD1 LEU 60 HD13 LEU 60 2.716 -7.374 3.395 441 1HD2 LEU 60 HD21 LEU 60 4.869 -4.823 4.418 442 2HD2 LEU 60 HD22 LEU 60 5.039 -5.241 6.123 443 3HD2 LEU 60 HD23 LEU 60 3.474 -4.724 5.493 444 HA PRO 61 HA PRO 61 6.490 -9.506 10.543 445 1HB PRO 61 HB2 PRO 61 5.028 -7.272 11.862 446 2HB PRO 61 HB1 PRO 61 6.561 -8.031 12.307 447 1HG PRO 61 HG2 PRO 61 6.526 -5.637 11.150 448 2HG PRO 61 HG1 PRO 61 7.766 -6.833 10.725 449 1HD PRO 61 HD2 PRO 61 5.335 -5.996 9.205 450 2HD PRO 61 HD1 PRO 61 6.946 -6.442 8.606 451 H GLU 62 HN GLU 62 4.985 -9.909 12.607 452 HA GLU 62 HA GLU 62 2.895 -11.528 11.816 453 1HB GLU 62 HB2 GLU 62 3.855 -10.375 14.362 454 2HB GLU 62 HB1 GLU 62 2.206 -10.980 14.363 455 1HG GLU 62 HG2 GLU 62 3.716 -12.684 15.113 456 2HG GLU 62 HG1 GLU 62 3.017 -13.149 13.566 457 H ASN 63 HN ASN 63 0.749 -11.028 13.341 458 HA ASN 63 HA ASN 63 -1.005 -9.809 11.830 459 1HB ASN 63 HB2 ASN 63 -1.133 -10.903 14.280 460 2HB ASN 63 HB1 ASN 63 -1.429 -9.217 14.689 461 1HD2 ASN 63 HD21 ASN 63 -2.973 -11.953 14.190 462 2HD2 ASN 63 HD22 ASN 63 -4.432 -11.387 13.461 463 H THR 64 HN THR 64 0.375 -8.033 10.935 464 HA THR 64 HA THR 64 0.081 -5.561 12.524 465 HB THR 64 HB THR 64 1.812 -4.795 10.623 466 HG1 THR 64 HG1 THR 64 2.838 -7.335 11.121 467 1HG2 THR 64 HG21 THR 64 2.112 -5.755 13.346 468 2HG2 THR 64 HG22 THR 64 2.829 -4.358 12.546 469 3HG2 THR 64 HG23 THR 64 3.571 -5.948 12.376 470 H THR 65 HN THR 65 -0.118 -3.572 11.094 471 HA THR 65 HA THR 65 -1.930 -4.163 8.852 472 HB THR 65 HB THR 65 -2.287 -1.701 10.459 473 HG1 THR 65 HG1 THR 65 -3.341 -4.205 11.256 474 1HG2 THR 65 HG21 THR 65 -4.370 -1.634 9.619 475 2HG2 THR 65 HG22 THR 65 -4.569 -3.386 9.684 476 3HG2 THR 65 HG23 THR 65 -3.657 -2.648 8.365 477 H LYS 66 HN LYS 66 0.120 -3.882 7.628 478 HA LYS 66 HA LYS 66 1.697 -1.703 7.401 479 1HB LYS 66 HB2 LYS 66 1.584 -3.886 5.995 480 2HB LYS 66 HB1 LYS 66 0.527 -2.960 4.940 481 1HG LYS 66 HG2 LYS 66 2.703 -2.843 4.044 482 2HG LYS 66 HG1 LYS 66 2.321 -1.267 4.728 483 1HD LYS 66 HD2 LYS 66 4.538 -2.939 5.261 484 2HD LYS 66 HD1 LYS 66 4.191 -1.354 5.914 485 1HE LYS 66 HE2 LYS 66 2.698 -3.491 7.232 486 2HE LYS 66 HE1 LYS 66 4.439 -3.696 7.338 487 1HZ LYS 66 HZ1 LYS 66 4.640 -1.965 8.710 488 2HZ LYS 66 HZ2 LYS 66 2.983 -2.164 8.988 489 3HZ LYS 66 HZ3 LYS 66 3.521 -1.013 7.870 490 H THR 67 HN THR 67 1.666 0.105 5.843 491 HA THR 67 HA THR 67 -1.011 1.030 5.154 492 HB THR 67 HB THR 67 0.987 2.742 6.588 493 HG1 THR 67 HG1 THR 67 -0.029 2.307 8.442 494 1HG2 THR 67 HG21 THR 67 -1.042 3.640 5.129 495 2HG2 THR 67 HG22 THR 67 -0.514 4.428 6.617 496 3HG2 THR 67 HG23 THR 67 -1.897 3.335 6.639 497 H LEU 68 HN LEU 68 -0.914 1.359 3.050 498 HA LEU 68 HA LEU 68 1.543 2.172 1.752 499 1HB LEU 68 HB2 LEU 68 -0.895 0.826 0.982 500 2HB LEU 68 HB1 LEU 68 -0.528 2.132 -0.122 501 HG LEU 68 HG LEU 68 1.869 0.998 -0.090 502 1HD1 LEU 68 HD11 LEU 68 1.912 -1.274 0.292 503 2HD1 LEU 68 HD12 LEU 68 0.161 -1.433 0.169 504 3HD1 LEU 68 HD13 LEU 68 0.879 -0.693 1.600 505 1HD2 LEU 68 HD21 LEU 68 -0.152 1.219 -1.874 506 2HD2 LEU 68 HD22 LEU 68 -0.007 -0.528 -1.743 507 3HD2 LEU 68 HD23 LEU 68 1.385 0.435 -2.208 508 H THR 69 HN THR 69 1.485 4.289 2.916 509 HA THR 69 HA THR 69 -0.514 6.161 1.922 510 HB THR 69 HB THR 69 1.624 6.387 4.034 511 HG1 THR 69 HG1 THR 69 -0.027 6.278 5.409 512 1HG2 THR 69 HG21 THR 69 1.006 8.581 4.542 513 2HG2 THR 69 HG22 THR 69 -0.385 8.527 3.465 514 3HG2 THR 69 HG23 THR 69 1.240 8.564 2.794 515 H PHE 70 HN PHE 70 0.040 6.550 -0.194 516 HA PHE 70 HA PHE 70 2.708 7.154 -1.039 517 1HB PHE 70 HB2 PHE 70 0.131 7.931 -2.427 518 2HB PHE 70 HB1 PHE 70 1.703 7.665 -3.155 519 HD1 PHE 70 HD1 PHE 70 2.655 5.249 -2.945 520 HD2 PHE 70 HD2 PHE 70 -1.440 6.256 -2.462 521 HE1 PHE 70 HE1 PHE 70 2.033 2.929 -3.467 522 HE2 PHE 70 HE2 PHE 70 -2.074 3.934 -2.972 523 HZ PHE 70 HZ PHE 70 -0.333 2.269 -3.483 524 H ASP 71 HN ASP 71 3.721 8.965 -0.316 525 HA ASP 71 HA ASP 71 2.325 11.237 0.613 526 1HB ASP 71 HB2 ASP 71 4.975 11.979 -0.081 527 2HB ASP 71 HB1 ASP 71 4.317 11.661 1.510 528 H PHE 72 HN PHE 72 0.987 12.036 -0.880 529 HA PHE 72 HA PHE 72 1.995 12.816 -3.502 530 1HB PHE 72 HB2 PHE 72 -0.566 12.076 -2.378 531 2HB PHE 72 HB1 PHE 72 -0.681 13.605 -3.241 532 HD1 PHE 72 HD1 PHE 72 0.931 10.274 -3.743 533 HD2 PHE 72 HD2 PHE 72 -1.326 13.466 -5.408 534 HE1 PHE 72 HE1 PHE 72 0.797 9.061 -5.879 535 HE2 PHE 72 HE2 PHE 72 -1.465 12.259 -7.548 536 HZ PHE 72 HZ PHE 72 -0.401 10.052 -7.783 537 H GLY 73 HN GLY 73 2.568 14.180 -0.801 538 1HA GLY 73 HA2 GLY 73 3.053 16.354 -0.218 539 2HA GLY 73 HA1 GLY 73 2.469 16.852 -1.796 540 H VAL 74 HN VAL 74 0.039 15.051 -0.645 541 HA VAL 74 HA VAL 74 -1.224 17.281 0.792 542 HB VAL 74 HB VAL 74 -3.383 16.589 -0.252 543 1HG1 VAL 74 HG11 VAL 74 -1.780 17.276 -2.601 544 2HG1 VAL 74 HG12 VAL 74 -1.469 18.287 -1.191 545 3HG1 VAL 74 HG13 VAL 74 -3.104 18.152 -1.836 546 1HG2 VAL 74 HG21 VAL 74 -2.355 15.362 -2.603 547 2HG2 VAL 74 HG22 VAL 74 -3.516 14.719 -1.442 548 3HG2 VAL 74 HG23 VAL 74 -1.791 14.444 -1.206 549 H GLY 75 HN GLY 75 0.069 15.323 2.151 550 1HA GLY 75 HA2 GLY 75 -0.917 12.972 2.873 551 2HA GLY 75 HA1 GLY 75 -0.399 14.121 4.089 552 H THR 76 HN THR 76 -2.582 15.972 3.490 553 HA THR 76 HA THR 76 -4.433 15.274 5.383 554 HB THR 76 HB THR 76 -4.933 16.907 2.886 555 HG1 THR 76 HG1 THR 76 -3.245 17.736 4.127 556 1HG2 THR 76 HG21 THR 76 -6.577 16.429 5.289 557 2HG2 THR 76 HG22 THR 76 -7.058 16.821 3.638 558 3HG2 THR 76 HG23 THR 76 -6.463 18.090 4.708 559 H LYS 77 HN LYS 77 -5.111 15.102 1.891 560 HA LYS 77 HA LYS 77 -6.997 12.944 2.426 561 1HB LYS 77 HB2 LYS 77 -7.963 13.466 0.226 562 2HB LYS 77 HB1 LYS 77 -7.957 14.872 1.280 563 1HG LYS 77 HG2 LYS 77 -5.560 15.083 -0.047 564 2HG LYS 77 HG1 LYS 77 -6.657 14.452 -1.278 565 1HD LYS 77 HD2 LYS 77 -6.703 16.864 -1.340 566 2HD LYS 77 HD1 LYS 77 -8.249 16.272 -0.724 567 1HE LYS 77 HE2 LYS 77 -6.418 16.664 1.443 568 2HE LYS 77 HE1 LYS 77 -6.505 18.129 0.465 569 1HZ LYS 77 HZ1 LYS 77 -8.913 16.706 1.441 570 2HZ LYS 77 HZ2 LYS 77 -8.823 18.261 0.785 571 3HZ LYS 77 HZ3 LYS 77 -8.167 17.951 2.313 572 H ASN 78 HN ASN 78 -4.048 12.750 2.215 573 HA ASN 78 HA ASN 78 -3.137 11.703 -0.163 574 1HB ASN 78 HB2 ASN 78 -1.335 11.790 1.174 575 2HB ASN 78 HB1 ASN 78 -2.314 11.648 2.630 576 1HD2 ASN 78 HD21 ASN 78 -0.016 10.186 0.761 577 2HD2 ASN 78 HD22 ASN 78 -0.147 8.572 1.364 578 HA PRO 79 HA PRO 79 -5.303 7.859 -0.555 579 1HB PRO 79 HB2 PRO 79 -3.881 6.778 -2.559 580 2HB PRO 79 HB1 PRO 79 -4.928 8.177 -2.816 581 1HG PRO 79 HG2 PRO 79 -1.961 8.072 -2.479 582 2HG PRO 79 HG1 PRO 79 -2.925 9.052 -3.594 583 1HD PRO 79 HD2 PRO 79 -1.876 9.979 -1.224 584 2HD PRO 79 HD1 PRO 79 -3.299 10.673 -2.027 585 H LYS 80 HN LYS 80 -4.763 6.924 1.467 586 HA LYS 80 HA LYS 80 -2.278 5.406 1.618 587 1HB LYS 80 HB2 LYS 80 -2.549 5.353 3.908 588 2HB LYS 80 HB1 LYS 80 -3.274 6.892 3.499 589 1HG LYS 80 HG2 LYS 80 -4.762 4.329 4.028 590 2HG LYS 80 HG1 LYS 80 -4.606 5.692 5.139 591 1HD LYS 80 HD2 LYS 80 -5.926 5.778 2.428 592 2HD LYS 80 HD1 LYS 80 -6.767 5.696 3.975 593 1HE LYS 80 HE2 LYS 80 -4.870 7.853 3.988 594 2HE LYS 80 HE1 LYS 80 -5.939 7.991 2.593 595 1HZ LYS 80 HZ1 LYS 80 -7.259 7.349 5.085 596 2HZ LYS 80 HZ2 LYS 80 -7.693 8.457 3.883 597 3HZ LYS 80 HZ3 LYS 80 -6.537 8.878 5.043 598 H LEU 81 HN LEU 81 -2.210 3.188 1.978 599 HA LEU 81 HA LEU 81 -4.713 1.734 1.583 600 1HB LEU 81 HB2 LEU 81 -2.429 1.813 -0.161 601 2HB LEU 81 HB1 LEU 81 -2.707 0.178 0.405 602 HG LEU 81 HG LEU 81 -4.731 1.919 -0.994 603 1HD1 LEU 81 HD11 LEU 81 -2.655 0.195 -1.965 604 2HD1 LEU 81 HD12 LEU 81 -3.798 1.190 -2.869 605 3HD1 LEU 81 HD13 LEU 81 -4.236 -0.448 -2.402 606 1HD2 LEU 81 HD21 LEU 81 -6.321 0.381 -0.581 607 2HD2 LEU 81 HD22 LEU 81 -5.308 -0.001 0.803 608 3HD2 LEU 81 HD23 LEU 81 -5.191 -0.964 -0.662 609 H THR 82 HN THR 82 -4.818 1.239 3.769 610 HA THR 82 HA THR 82 -2.659 0.106 5.219 611 HB THR 82 HB THR 82 -5.601 -0.092 5.856 612 HG1 THR 82 HG1 THR 82 -5.534 1.912 6.493 613 1HG2 THR 82 HG21 THR 82 -5.014 -1.008 7.772 614 2HG2 THR 82 HG22 THR 82 -3.950 0.349 8.122 615 3HG2 THR 82 HG23 THR 82 -3.335 -1.040 7.235 616 H ILE 83 HN ILE 83 -1.854 -1.860 5.105 617 HA ILE 83 HA ILE 83 -3.533 -4.026 4.043 618 HB ILE 83 HB ILE 83 -0.819 -3.263 3.496 619 1HG1 ILE 83 HG12 ILE 83 -1.151 -5.302 1.883 620 2HG1 ILE 83 HG11 ILE 83 -2.812 -5.243 2.464 621 1HG2 ILE 83 HG21 ILE 83 -1.142 -6.035 4.632 622 2HG2 ILE 83 HG22 ILE 83 -0.068 -4.765 5.207 623 3HG2 ILE 83 HG23 ILE 83 0.219 -5.522 3.642 624 1HD1 ILE 83 HD11 ILE 83 -2.292 -4.001 0.328 625 2HD1 ILE 83 HD12 ILE 83 -1.426 -2.839 1.334 626 3HD1 ILE 83 HD13 ILE 83 -3.153 -3.103 1.578 627 H THR 84 HN THR 84 -4.338 -5.348 5.527 628 HA THR 84 HA THR 84 -3.168 -5.492 8.171 629 HB THR 84 HB THR 84 -5.608 -6.791 6.952 630 HG1 THR 84 HG1 THR 84 -6.296 -4.848 7.377 631 1HG2 THR 84 HG21 THR 84 -4.809 -6.811 9.849 632 2HG2 THR 84 HG22 THR 84 -4.697 -8.195 8.763 633 3HG2 THR 84 HG23 THR 84 -6.272 -7.494 9.143 634 H VAL 85 HN VAL 85 -1.245 -6.586 8.028 635 HA VAL 85 HA VAL 85 -1.084 -9.082 6.591 636 HB VAL 85 HB VAL 85 0.944 -8.062 6.435 637 1HG1 VAL 85 HG11 VAL 85 0.609 -6.159 7.804 638 2HG1 VAL 85 HG12 VAL 85 2.083 -6.936 8.384 639 3HG1 VAL 85 HG13 VAL 85 0.574 -7.137 9.270 640 1HG2 VAL 85 HG21 VAL 85 2.569 -9.234 7.804 641 2HG2 VAL 85 HG22 VAL 85 1.269 -10.325 7.325 642 3HG2 VAL 85 HG23 VAL 85 1.311 -9.667 8.961 643 H LEU 86 HN LEU 86 -1.830 -10.875 7.372 644 HA LEU 86 HA LEU 86 -2.252 -11.227 10.219 645 1HB LEU 86 HB2 LEU 86 -2.715 -13.404 8.232 646 2HB LEU 86 HB1 LEU 86 -3.615 -13.015 9.686 647 HG LEU 86 HG LEU 86 -3.681 -11.412 7.128 648 1HD1 LEU 86 HD11 LEU 86 -4.809 -13.392 6.629 649 2HD1 LEU 86 HD12 LEU 86 -6.087 -12.289 7.145 650 3HD1 LEU 86 HD13 LEU 86 -5.486 -13.524 8.253 651 1HD2 LEU 86 HD21 LEU 86 -4.066 -10.054 9.118 652 2HD2 LEU 86 HD22 LEU 86 -5.313 -11.182 9.654 653 3HD2 LEU 86 HD23 LEU 86 -5.548 -10.242 8.181 654 HA PRO 87 HA PRO 87 1.360 -13.577 11.097 655 1HB PRO 87 HB2 PRO 87 0.438 -15.340 12.945 656 2HB PRO 87 HB1 PRO 87 0.679 -13.623 13.290 657 1HG PRO 87 HG2 PRO 87 -1.841 -15.081 12.610 658 2HG PRO 87 HG1 PRO 87 -1.566 -13.837 13.844 659 1HD PRO 87 HD2 PRO 87 -2.707 -13.287 11.452 660 2HD PRO 87 HD1 PRO 87 -1.690 -12.116 12.314 661 H LYS 88 HN LYS 88 2.363 -15.128 9.995 662 HA LYS 88 HA LYS 88 1.303 -16.793 8.142 663 1HB LYS 88 HB2 LYS 88 3.452 -18.218 9.435 664 2HB LYS 88 HB1 LYS 88 3.417 -17.453 7.860 665 1HG LYS 88 HG2 LYS 88 3.938 -15.945 10.405 666 2HG LYS 88 HG1 LYS 88 5.211 -16.665 9.422 667 1HD LYS 88 HD2 LYS 88 5.087 -15.051 7.869 668 2HD LYS 88 HD1 LYS 88 3.323 -15.028 7.899 669 1HE LYS 88 HE2 LYS 88 3.236 -13.368 9.428 670 2HE LYS 88 HE1 LYS 88 4.664 -13.943 10.289 671 1HZ LYS 88 HZ1 LYS 88 5.928 -12.495 9.210 672 2HZ LYS 88 HZ2 LYS 88 4.522 -11.796 8.581 673 3HZ LYS 88 HZ3 LYS 88 5.340 -12.985 7.698 674 H ASP 89 HN ASP 89 0.414 -18.808 8.026 675 HA ASP 89 HA ASP 89 0.272 -20.532 10.328 676 1HB ASP 89 HB2 ASP 89 -1.598 -18.697 10.469 677 2HB ASP 89 HB1 ASP 89 -2.390 -19.694 9.252 678 H ILE 90 HN ILE 90 -0.579 -22.619 9.838 679 HA ILE 90 HA ILE 90 -0.629 -23.179 6.948 680 HB ILE 90 HB ILE 90 -0.282 -25.616 8.231 681 1HG1 ILE 90 HG12 ILE 90 1.475 -23.525 9.529 682 2HG1 ILE 90 HG11 ILE 90 0.218 -24.456 10.337 683 1HG2 ILE 90 HG21 ILE 90 1.113 -23.889 6.417 684 2HG2 ILE 90 HG22 ILE 90 1.113 -25.650 6.513 685 3HG2 ILE 90 HG23 ILE 90 2.255 -24.714 7.477 686 1HD1 ILE 90 HD11 ILE 90 2.962 -25.142 9.801 687 2HD1 ILE 90 HD12 ILE 90 1.858 -26.362 9.163 688 3HD1 ILE 90 HD13 ILE 90 1.792 -25.916 10.869 689 HA PRO 91 HA PRO 91 -4.703 -24.825 7.150 690 1HB PRO 91 HB2 PRO 91 -4.554 -27.093 5.666 691 2HB PRO 91 HB1 PRO 91 -4.485 -25.473 4.956 692 1HG PRO 91 HG2 PRO 91 -2.250 -27.359 5.599 693 2HG PRO 91 HG1 PRO 91 -2.486 -26.353 4.157 694 1HD PRO 91 HD2 PRO 91 -0.810 -25.650 6.163 695 2HD PRO 91 HD1 PRO 91 -1.698 -24.453 5.197 696 H GLY 92 HN GLY 92 -6.061 -26.478 8.024 697 1HA GLY 92 HA2 GLY 92 -6.227 -28.710 9.027 698 2HA GLY 92 HA1 GLY 92 -4.634 -28.436 9.713 699 H LEU 93 HN LEU 93 -7.178 -26.021 9.627 700 HA LEU 93 HA LEU 93 -7.605 -26.384 12.510 701 1HB LEU 93 HB2 LEU 93 -7.532 -23.617 11.413 702 2HB LEU 93 HB1 LEU 93 -7.174 -24.188 13.033 703 HG LEU 93 HG LEU 93 -5.066 -25.237 11.999 704 1HD1 LEU 93 HD11 LEU 93 -4.762 -23.248 9.995 705 2HD1 LEU 93 HD12 LEU 93 -6.249 -24.141 9.671 706 3HD1 LEU 93 HD13 LEU 93 -4.717 -25.003 9.824 707 1HD2 LEU 93 HD21 LEU 93 -5.334 -22.236 12.125 708 2HD2 LEU 93 HD22 LEU 93 -3.833 -23.152 12.239 709 3HD2 LEU 93 HD23 LEU 93 -5.056 -23.305 13.501 710 H GLU 94 HN GLU 94 -9.284 -24.061 12.712 711 HA GLU 94 HA GLU 94 -11.768 -25.169 12.082 712 1HB GLU 94 HB2 GLU 94 -11.103 -23.243 13.722 713 2HB GLU 94 HB1 GLU 94 -11.420 -22.206 12.337 714 1HG GLU 94 HG2 GLU 94 -13.332 -22.480 13.912 715 2HG GLU 94 HG1 GLU 94 -13.686 -22.886 12.234 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -1.941 21.836 -1.272 2 2H MET 1 HT2 MET 1 -2.594 20.269 -1.021 3 3H MET 1 HT3 MET 1 -2.953 21.539 0.072 4 HA MET 1 HA MET 1 -4.825 21.484 -1.135 5 1HB MET 1 HB2 MET 1 -3.094 23.273 -2.844 6 2HB MET 1 HB1 MET 1 -4.803 23.463 -2.473 7 1HG MET 1 HG2 MET 1 -4.401 24.284 -0.374 8 2HG MET 1 HG1 MET 1 -2.838 23.482 -0.242 9 1HE MET 1 HE1 MET 1 -0.386 25.776 -2.031 10 2HE MET 1 HE2 MET 1 -1.049 24.216 -2.516 11 3HE MET 1 HE3 MET 1 -0.613 24.503 -0.830 12 H GLN 2 HN GLN 2 -3.934 19.131 -1.921 13 HA GLN 2 HA GLN 2 -4.426 19.136 -4.815 14 1HB GLN 2 HB2 GLN 2 -2.492 17.166 -3.656 15 2HB GLN 2 HB1 GLN 2 -2.650 17.719 -5.317 16 1HG GLN 2 HG2 GLN 2 -0.801 18.884 -4.817 17 2HG GLN 2 HG1 GLN 2 -1.959 20.026 -4.137 18 1HE2 GLN 2 HE21 GLN 2 0.714 18.090 -3.532 19 2HE2 GLN 2 HE22 GLN 2 0.756 18.242 -1.811 20 H ASP 3 HN ASP 3 -5.571 17.374 -5.602 21 HA ASP 3 HA ASP 3 -6.750 15.644 -3.543 22 1HB ASP 3 HB2 ASP 3 -8.460 17.024 -4.395 23 2HB ASP 3 HB1 ASP 3 -7.914 16.779 -6.042 24 HA PRO 4 HA PRO 4 -4.473 12.851 -6.471 25 1HB PRO 4 HB2 PRO 4 -3.077 11.485 -4.622 26 2HB PRO 4 HB1 PRO 4 -2.526 13.048 -5.234 27 1HG PRO 4 HG2 PRO 4 -3.948 12.411 -2.679 28 2HG PRO 4 HG1 PRO 4 -2.585 13.508 -2.956 29 1HD PRO 4 HD2 PRO 4 -5.178 14.343 -2.722 30 2HD PRO 4 HD1 PRO 4 -3.944 15.216 -3.652 31 H THR 5 HN THR 5 -5.062 10.736 -6.962 32 HA THR 5 HA THR 5 -6.858 9.440 -5.023 33 HB THR 5 HB THR 5 -7.324 8.904 -7.897 34 HG1 THR 5 HG1 THR 5 -7.051 11.190 -7.810 35 1HG2 THR 5 HG21 THR 5 -8.817 7.838 -6.428 36 2HG2 THR 5 HG22 THR 5 -9.705 9.187 -7.138 37 3HG2 THR 5 HG23 THR 5 -9.071 9.312 -5.495 38 H ILE 6 HN ILE 6 -7.196 7.075 -5.499 39 HA ILE 6 HA ILE 6 -5.071 5.684 -6.868 40 HB ILE 6 HB ILE 6 -4.039 6.271 -4.679 41 1HG1 ILE 6 HG12 ILE 6 -4.506 3.303 -4.806 42 2HG1 ILE 6 HG11 ILE 6 -3.578 4.137 -6.051 43 1HG2 ILE 6 HG21 ILE 6 -4.825 5.298 -2.637 44 2HG2 ILE 6 HG22 ILE 6 -6.076 4.396 -3.494 45 3HG2 ILE 6 HG23 ILE 6 -6.173 6.153 -3.387 46 1HD1 ILE 6 HD11 ILE 6 -2.727 4.772 -3.339 47 2HD1 ILE 6 HD12 ILE 6 -1.779 4.298 -4.748 48 3HD1 ILE 6 HD13 ILE 6 -2.565 3.069 -3.757 49 H ASN 7 HN ASN 7 -5.455 3.407 -7.014 50 HA ASN 7 HA ASN 7 -8.090 2.700 -7.328 51 1HB ASN 7 HB2 ASN 7 -6.684 0.301 -6.755 52 2HB ASN 7 HB1 ASN 7 -7.290 0.887 -8.289 53 1HD2 ASN 7 HD21 ASN 7 -4.633 1.977 -6.140 54 2HD2 ASN 7 HD22 ASN 7 -3.434 1.920 -7.374 55 HA PRO 8 HA PRO 8 -8.937 0.941 -3.409 56 1HB PRO 8 HB2 PRO 8 -7.367 -0.853 -2.272 57 2HB PRO 8 HB1 PRO 8 -8.162 -1.189 -3.787 58 1HG PRO 8 HG2 PRO 8 -5.319 -0.765 -3.230 59 2HG PRO 8 HG1 PRO 8 -6.084 -1.436 -4.679 60 1HD PRO 8 HD2 PRO 8 -5.188 1.300 -4.157 61 2HD PRO 8 HD1 PRO 8 -5.631 0.534 -5.693 62 H THR 9 HN THR 9 -8.452 0.525 -0.913 63 HA THR 9 HA THR 9 -6.399 2.296 0.122 64 HB THR 9 HB THR 9 -9.278 2.755 0.894 65 HG1 THR 9 HG1 THR 9 -7.732 4.328 -0.875 66 1HG2 THR 9 HG21 THR 9 -7.255 4.879 1.116 67 2HG2 THR 9 HG22 THR 9 -7.100 3.534 2.247 68 3HG2 THR 9 HG23 THR 9 -8.598 4.464 2.181 69 H SER 10 HN SER 10 -7.769 -0.614 0.286 70 HA SER 10 HA SER 10 -6.766 -1.138 2.884 71 1HB SER 10 HB2 SER 10 -9.536 -1.889 3.140 72 2HB SER 10 HB1 SER 10 -8.549 -0.893 4.210 73 HG SER 10 HG SER 10 -9.759 0.675 3.533 74 H ILE 11 HN ILE 11 -6.583 -3.280 3.356 75 HA ILE 11 HA ILE 11 -7.949 -5.349 1.937 76 HB ILE 11 HB ILE 11 -6.385 -4.760 0.162 77 1HG1 ILE 11 HG12 ILE 11 -5.434 -7.294 1.505 78 2HG1 ILE 11 HG11 ILE 11 -6.958 -7.168 0.635 79 1HG2 ILE 11 HG21 ILE 11 -4.550 -3.726 1.003 80 2HG2 ILE 11 HG22 ILE 11 -3.886 -5.347 0.798 81 3HG2 ILE 11 HG23 ILE 11 -4.434 -4.813 2.387 82 1HD1 ILE 11 HD11 ILE 11 -5.059 -6.186 -1.130 83 2HD1 ILE 11 HD12 ILE 11 -5.845 -7.765 -1.178 84 3HD1 ILE 11 HD13 ILE 11 -4.291 -7.577 -0.366 85 H SER 12 HN SER 12 -7.428 -7.468 2.772 86 HA SER 12 HA SER 12 -5.629 -7.474 5.090 87 1HB SER 12 HB2 SER 12 -7.865 -9.146 5.685 88 2HB SER 12 HB1 SER 12 -7.272 -7.742 6.566 89 HG SER 12 HG SER 12 -9.228 -7.865 4.540 90 H ALA 13 HN ALA 13 -4.440 -9.257 5.322 91 HA ALA 13 HA ALA 13 -5.165 -11.822 4.411 92 1HB ALA 13 HB1 ALA 13 -4.346 -10.233 2.337 93 2HB ALA 13 HB2 ALA 13 -4.299 -11.995 2.358 94 3HB ALA 13 HB3 ALA 13 -2.861 -11.069 2.786 95 H LYS 14 HN LYS 14 -3.380 -13.366 4.614 96 HA LYS 14 HA LYS 14 -1.853 -12.880 6.975 97 1HB LYS 14 HB2 LYS 14 -2.595 -15.108 6.674 98 2HB LYS 14 HB1 LYS 14 -2.004 -15.167 5.020 99 1HG LYS 14 HG2 LYS 14 0.038 -14.710 7.088 100 2HG LYS 14 HG1 LYS 14 -0.743 -16.292 7.110 101 1HD LYS 14 HD2 LYS 14 -0.261 -16.298 4.567 102 2HD LYS 14 HD1 LYS 14 0.887 -15.018 4.945 103 1HE LYS 14 HE2 LYS 14 1.517 -16.848 6.839 104 2HE LYS 14 HE1 LYS 14 0.995 -17.901 5.524 105 1HZ LYS 14 HZ1 LYS 14 2.550 -16.483 4.099 106 2HZ LYS 14 HZ2 LYS 14 3.252 -17.608 5.152 107 3HZ LYS 14 HZ3 LYS 14 3.225 -15.967 5.562 108 H ALA 15 HN ALA 15 0.456 -12.837 7.158 109 HA ALA 15 HA ALA 15 1.681 -11.240 5.203 110 1HB ALA 15 HB1 ALA 15 3.284 -12.855 7.159 111 2HB ALA 15 HB2 ALA 15 2.303 -11.493 7.698 112 3HB ALA 15 HB3 ALA 15 3.603 -11.237 6.531 113 H GLY 16 HN GLY 16 1.887 -11.914 3.264 114 1HA GLY 16 HA2 GLY 16 3.657 -13.127 1.932 115 2HA GLY 16 HA1 GLY 16 3.080 -14.562 2.772 116 H SER 17 HN SER 17 0.305 -13.770 2.750 117 HA SER 17 HA SER 17 -0.420 -14.824 0.218 118 1HB SER 17 HB2 SER 17 -2.638 -13.594 1.461 119 2HB SER 17 HB1 SER 17 -2.216 -15.300 1.456 120 HG SER 17 HG SER 17 -1.642 -13.335 3.374 121 H PHE 18 HN PHE 18 0.909 -12.017 0.739 122 HA PHE 18 HA PHE 18 -0.926 -10.346 -0.750 123 1HB PHE 18 HB2 PHE 18 1.638 -9.847 0.719 124 2HB PHE 18 HB1 PHE 18 0.828 -8.625 -0.218 125 HD1 PHE 18 HD1 PHE 18 -1.985 -9.089 0.432 126 HD2 PHE 18 HD2 PHE 18 1.465 -9.163 2.916 127 HE1 PHE 18 HE1 PHE 18 -3.380 -8.541 2.384 128 HE2 PHE 18 HE2 PHE 18 0.078 -8.615 4.871 129 HZ PHE 18 HZ PHE 18 -2.343 -8.304 4.608 130 H ALA 19 HN ALA 19 -0.664 -11.547 -2.709 131 HA ALA 19 HA ALA 19 1.856 -11.890 -3.967 132 1HB ALA 19 HB1 ALA 19 0.663 -12.642 -5.862 133 2HB ALA 19 HB2 ALA 19 -0.783 -11.756 -5.394 134 3HB ALA 19 HB3 ALA 19 -0.269 -13.162 -4.460 135 H ASP 20 HN ASP 20 2.946 -10.642 -5.428 136 HA ASP 20 HA ASP 20 3.052 -7.977 -5.365 137 1HB ASP 20 HB2 ASP 20 4.636 -9.262 -6.673 138 2HB ASP 20 HB1 ASP 20 3.382 -9.677 -7.841 139 H THR 21 HN THR 21 2.039 -6.185 -6.240 140 HA THR 21 HA THR 21 -0.123 -6.590 -8.121 141 HB THR 21 HB THR 21 -0.551 -5.588 -5.310 142 HG1 THR 21 HG1 THR 21 -2.034 -7.224 -5.235 143 1HG2 THR 21 HG21 THR 21 -2.434 -5.341 -7.640 144 2HG2 THR 21 HG22 THR 21 -1.714 -4.023 -6.714 145 3HG2 THR 21 HG23 THR 21 -2.874 -5.108 -5.949 146 H LYS 22 HN LYS 22 -1.070 -4.520 -8.779 147 HA LYS 22 HA LYS 22 0.948 -2.440 -8.835 148 1HB LYS 22 HB2 LYS 22 -0.366 -3.721 -10.922 149 2HB LYS 22 HB1 LYS 22 -1.159 -2.156 -10.802 150 1HG LYS 22 HG2 LYS 22 1.302 -1.265 -10.741 151 2HG LYS 22 HG1 LYS 22 1.647 -2.812 -11.519 152 1HD LYS 22 HD2 LYS 22 0.689 -2.185 -13.456 153 2HD LYS 22 HD1 LYS 22 -0.643 -1.370 -12.643 154 1HE LYS 22 HE2 LYS 22 0.801 0.155 -13.953 155 2HE LYS 22 HE1 LYS 22 0.704 0.567 -12.243 156 1HZ LYS 22 HZ1 LYS 22 2.888 0.348 -12.051 157 2HZ LYS 22 HZ2 LYS 22 2.992 0.146 -13.727 158 3HZ LYS 22 HZ3 LYS 22 2.862 -1.203 -12.720 159 H ILE 23 HN ILE 23 0.067 -0.228 -9.177 160 HA ILE 23 HA ILE 23 -2.499 0.290 -7.956 161 HB ILE 23 HB ILE 23 0.092 1.009 -6.700 162 1HG1 ILE 23 HG12 ILE 23 -2.439 -0.237 -5.664 163 2HG1 ILE 23 HG11 ILE 23 -0.913 -1.060 -5.975 164 1HG2 ILE 23 HG21 ILE 23 -1.452 3.032 -6.972 165 2HG2 ILE 23 HG22 ILE 23 -0.838 2.677 -5.357 166 3HG2 ILE 23 HG23 ILE 23 -2.484 2.221 -5.794 167 1HD1 ILE 23 HD11 ILE 23 -1.316 1.092 -3.917 168 2HD1 ILE 23 HD12 ILE 23 0.144 0.149 -4.187 169 3HD1 ILE 23 HD13 ILE 23 -1.308 -0.634 -3.590 170 H THR 24 HN THR 24 -3.417 1.755 -9.252 171 HA THR 24 HA THR 24 -1.744 3.533 -10.831 172 HB THR 24 HB THR 24 -4.710 3.687 -10.985 173 HG1 THR 24 HG1 THR 24 -3.252 1.454 -11.949 174 1HG2 THR 24 HG21 THR 24 -4.018 3.368 -13.478 175 2HG2 THR 24 HG22 THR 24 -2.421 3.824 -12.882 176 3HG2 THR 24 HG23 THR 24 -3.788 4.922 -12.674 177 H LEU 25 HN LEU 25 -1.013 5.164 -9.565 178 HA LEU 25 HA LEU 25 -2.730 6.474 -7.659 179 1HB LEU 25 HB2 LEU 25 0.113 6.470 -8.428 180 2HB LEU 25 HB1 LEU 25 -0.497 7.953 -7.743 181 HG LEU 25 HG LEU 25 -0.506 5.228 -6.454 182 1HD1 LEU 25 HD11 LEU 25 1.542 5.892 -5.853 183 2HD1 LEU 25 HD12 LEU 25 0.716 7.004 -4.763 184 3HD1 LEU 25 HD13 LEU 25 1.250 7.556 -6.350 185 1HD2 LEU 25 HD21 LEU 25 -1.281 6.813 -4.470 186 2HD2 LEU 25 HD22 LEU 25 -2.429 6.034 -5.558 187 3HD2 LEU 25 HD23 LEU 25 -1.983 7.721 -5.811 188 H THR 26 HN THR 26 -4.210 7.873 -8.385 189 HA THR 26 HA THR 26 -4.026 9.214 -10.877 190 HB THR 26 HB THR 26 -5.834 9.902 -8.561 191 HG1 THR 26 HG1 THR 26 -7.293 8.465 -9.779 192 1HG2 THR 26 HG21 THR 26 -5.694 10.779 -11.331 193 2HG2 THR 26 HG22 THR 26 -6.554 11.476 -9.956 194 3HG2 THR 26 HG23 THR 26 -7.276 10.152 -10.870 195 HA PRO 27 HA PRO 27 -1.585 12.634 -9.214 196 1HB PRO 27 HB2 PRO 27 -0.208 13.120 -11.381 197 2HB PRO 27 HB1 PRO 27 -0.018 11.549 -10.591 198 1HG PRO 27 HG2 PRO 27 -1.677 12.251 -12.986 199 2HG PRO 27 HG1 PRO 27 -0.566 10.892 -12.770 200 1HD PRO 27 HD2 PRO 27 -3.305 10.771 -12.370 201 2HD PRO 27 HD1 PRO 27 -2.126 9.639 -11.680 202 H ASN 28 HN ASN 28 -4.159 12.561 -11.181 203 HA ASN 28 HA ASN 28 -4.476 14.525 -12.829 204 1HB ASN 28 HB2 ASN 28 -6.204 12.874 -11.656 205 2HB ASN 28 HB1 ASN 28 -6.643 14.353 -10.811 206 1HD2 ASN 28 HD21 ASN 28 -7.802 12.562 -13.051 207 2HD2 ASN 28 HD22 ASN 28 -8.353 13.712 -14.216 208 H GLY 29 HN GLY 29 -2.804 15.849 -11.875 209 1HA GLY 29 HA2 GLY 29 -2.690 18.252 -11.543 210 2HA GLY 29 HA1 GLY 29 -4.015 18.100 -10.404 211 H ASN 30 HN ASN 30 -2.669 15.640 -9.317 212 HA ASN 30 HA ASN 30 -0.768 17.035 -7.571 213 1HB ASN 30 HB2 ASN 30 -1.697 14.404 -6.697 214 2HB ASN 30 HB1 ASN 30 -1.669 15.933 -5.830 215 1HD2 ASN 30 HD21 ASN 30 -3.489 13.962 -8.084 216 2HD2 ASN 30 HD22 ASN 30 -5.015 14.721 -7.804 217 H THR 31 HN THR 31 1.018 15.670 -6.709 218 HA THR 31 HA THR 31 1.916 13.679 -8.677 219 HB THR 31 HB THR 31 3.192 15.662 -9.118 220 HG1 THR 31 HG1 THR 31 5.219 14.847 -8.788 221 1HG2 THR 31 HG21 THR 31 2.968 16.156 -6.345 222 2HG2 THR 31 HG22 THR 31 3.666 17.186 -7.595 223 3HG2 THR 31 HG23 THR 31 4.684 16.029 -6.736 224 H PHE 32 HN PHE 32 3.437 12.123 -7.862 225 HA PHE 32 HA PHE 32 2.987 11.568 -5.011 226 1HB PHE 32 HB2 PHE 32 2.186 9.831 -6.527 227 2HB PHE 32 HB1 PHE 32 3.779 9.709 -7.264 228 HD1 PHE 32 HD1 PHE 32 2.881 9.966 -3.669 229 HD2 PHE 32 HD2 PHE 32 4.466 7.545 -6.788 230 HE1 PHE 32 HE1 PHE 32 3.510 8.256 -2.017 231 HE2 PHE 32 HE2 PHE 32 5.095 5.830 -5.140 232 HZ PHE 32 HZ PHE 32 4.618 6.184 -2.751 233 H ASN 33 HN ASN 33 4.651 11.196 -3.615 234 HA ASN 33 HA ASN 33 7.333 11.856 -4.615 235 1HB ASN 33 HB2 ASN 33 5.855 12.733 -2.355 236 2HB ASN 33 HB1 ASN 33 7.223 11.799 -1.754 237 1HD2 ASN 33 HD21 ASN 33 6.628 14.686 -1.661 238 2HD2 ASN 33 HD22 ASN 33 8.004 15.461 -2.363 239 H GLY 34 HN GLY 34 5.578 9.574 -2.550 240 1HA GLY 34 HA2 GLY 34 6.732 7.255 -3.242 241 2HA GLY 34 HA1 GLY 34 7.945 7.939 -2.171 242 H ILE 35 HN ILE 35 7.061 5.631 -1.318 243 HA ILE 35 HA ILE 35 4.939 6.174 0.599 244 HB ILE 35 HB ILE 35 4.510 4.394 -0.961 245 1HG1 ILE 35 HG12 ILE 35 5.036 3.205 1.721 246 2HG1 ILE 35 HG11 ILE 35 3.780 4.402 1.440 247 1HG2 ILE 35 HG21 ILE 35 7.005 3.766 -1.124 248 2HG2 ILE 35 HG22 ILE 35 5.810 2.472 -1.210 249 3HG2 ILE 35 HG23 ILE 35 6.675 2.769 0.282 250 1HD1 ILE 35 HD11 ILE 35 3.375 1.756 1.310 251 2HD1 ILE 35 HD12 ILE 35 3.772 2.093 -0.369 252 3HD1 ILE 35 HD13 ILE 35 2.431 2.935 0.403 253 H SER 36 HN SER 36 6.100 7.028 2.210 254 HA SER 36 HA SER 36 8.568 6.018 3.196 255 1HB SER 36 HB2 SER 36 8.382 7.603 4.935 256 2HB SER 36 HB1 SER 36 7.524 8.352 3.587 257 HG SER 36 HG SER 36 5.677 8.127 4.616 258 H GLU 37 HN GLU 37 5.225 5.256 3.911 259 HA GLU 37 HA GLU 37 5.561 3.898 6.310 260 1HB GLU 37 HB2 GLU 37 3.467 4.371 4.665 261 2HB GLU 37 HB1 GLU 37 3.760 2.681 4.300 262 1HG GLU 37 HG2 GLU 37 3.109 1.979 6.364 263 2HG GLU 37 HG1 GLU 37 3.643 3.461 7.154 264 H LEU 38 HN LEU 38 6.524 3.177 3.085 265 HA LEU 38 HA LEU 38 8.019 0.891 3.991 266 1HB LEU 38 HB2 LEU 38 6.817 0.268 1.436 267 2HB LEU 38 HB1 LEU 38 6.904 -0.676 2.896 268 HG LEU 38 HG LEU 38 4.828 1.453 2.563 269 1HD1 LEU 38 HD11 LEU 38 3.287 -0.341 1.878 270 2HD1 LEU 38 HD12 LEU 38 4.664 -1.435 1.744 271 3HD1 LEU 38 HD13 LEU 38 4.547 -0.028 0.687 272 1HD2 LEU 38 HD21 LEU 38 3.956 -0.746 4.067 273 2HD2 LEU 38 HD22 LEU 38 4.335 0.870 4.646 274 3HD2 LEU 38 HD23 LEU 38 5.584 -0.371 4.627 275 H GLN 39 HN GLN 39 9.842 2.096 3.613 276 HA GLN 39 HA GLN 39 10.665 3.857 1.926 277 1HB GLN 39 HB2 GLN 39 12.385 1.413 2.265 278 2HB GLN 39 HB1 GLN 39 12.894 3.088 2.102 279 1HG GLN 39 HG2 GLN 39 11.586 1.779 4.466 280 2HG GLN 39 HG1 GLN 39 13.200 2.482 4.364 281 1HE2 GLN 39 HE21 GLN 39 10.696 3.001 6.019 282 2HE2 GLN 39 HE22 GLN 39 10.491 4.715 5.924 283 H SER 40 HN SER 40 9.616 3.891 0.192 284 HA SER 40 HA SER 40 8.693 3.005 -1.847 285 1HB SER 40 HB2 SER 40 11.354 4.381 -2.153 286 2HB SER 40 HB1 SER 40 10.293 4.042 -3.520 287 HG SER 40 HG SER 40 9.533 5.943 -2.954 288 H SER 41 HN SER 41 12.017 1.967 -1.304 289 HA SER 41 HA SER 41 12.386 0.355 -3.502 290 1HB SER 41 HB2 SER 41 14.297 0.119 -2.330 291 2HB SER 41 HB1 SER 41 13.487 0.468 -0.806 292 HG SER 41 HG SER 41 13.988 -1.975 -2.043 293 H GLN 42 HN GLN 42 10.245 -0.103 -0.842 294 HA GLN 42 HA GLN 42 9.749 -2.812 -0.912 295 1HB GLN 42 HB2 GLN 42 8.141 -0.380 -0.212 296 2HB GLN 42 HB1 GLN 42 7.498 -1.994 -0.019 297 1HG GLN 42 HG2 GLN 42 8.486 -1.009 2.026 298 2HG GLN 42 HG1 GLN 42 9.132 -2.559 1.554 299 1HE2 GLN 42 HE21 GLN 42 11.169 -2.502 0.283 300 2HE2 GLN 42 HE22 GLN 42 12.339 -1.309 0.716 301 H TYR 43 HN TYR 43 8.596 -0.246 -2.935 302 HA TYR 43 HA TYR 43 7.167 -2.208 -4.601 303 1HB TYR 43 HB2 TYR 43 5.471 -0.539 -5.141 304 2HB TYR 43 HB1 TYR 43 5.521 -0.864 -3.416 305 HD1 TYR 43 HD1 TYR 43 8.244 1.199 -4.495 306 HD2 TYR 43 HD2 TYR 43 4.141 1.275 -3.383 307 HE1 TYR 43 HE1 TYR 43 8.422 3.603 -4.042 308 HE2 TYR 43 HE2 TYR 43 4.305 3.685 -2.928 309 HH TYR 43 HH TYR 43 7.393 5.404 -3.221 310 H THR 44 HN THR 44 6.478 -0.786 -6.698 311 HA THR 44 HA THR 44 8.920 0.402 -7.782 312 HB THR 44 HB THR 44 7.239 -1.437 -9.457 313 HG1 THR 44 HG1 THR 44 8.021 -3.117 -8.501 314 1HG2 THR 44 HG21 THR 44 9.123 0.099 -10.341 315 2HG2 THR 44 HG22 THR 44 9.035 -1.575 -10.882 316 3HG2 THR 44 HG23 THR 44 10.196 -1.108 -9.635 317 H LYS 45 HN LYS 45 7.947 2.400 -7.576 318 HA LYS 45 HA LYS 45 5.393 3.050 -8.601 319 1HB LYS 45 HB2 LYS 45 7.120 5.347 -8.541 320 2HB LYS 45 HB1 LYS 45 5.735 4.971 -7.541 321 1HG LYS 45 HG2 LYS 45 7.406 5.214 -5.987 322 2HG LYS 45 HG1 LYS 45 7.386 3.471 -6.234 323 1HD LYS 45 HD2 LYS 45 9.136 4.330 -8.165 324 2HD LYS 45 HD1 LYS 45 9.473 5.428 -6.825 325 1HE LYS 45 HE2 LYS 45 10.451 3.820 -5.619 326 2HE LYS 45 HE1 LYS 45 9.175 2.659 -5.979 327 1HZ LYS 45 HZ1 LYS 45 10.220 2.067 -7.996 328 2HZ LYS 45 HZ2 LYS 45 11.440 2.071 -6.824 329 3HZ LYS 45 HZ3 LYS 45 11.307 3.361 -7.912 330 H GLY 46 HN GLY 46 5.072 4.769 -10.256 331 1HA GLY 46 HA2 GLY 46 6.920 5.213 -12.338 332 2HA GLY 46 HA1 GLY 46 5.857 3.880 -12.774 333 H THR 47 HN THR 47 6.017 7.287 -11.989 334 HA THR 47 HA THR 47 4.312 8.896 -11.998 335 HB THR 47 HB THR 47 5.566 9.212 -14.018 336 HG1 THR 47 HG1 THR 47 2.800 9.263 -14.637 337 1HG2 THR 47 HG21 THR 47 3.725 7.376 -15.504 338 2HG2 THR 47 HG22 THR 47 5.270 6.836 -14.844 339 3HG2 THR 47 HG23 THR 47 5.227 8.120 -16.056 340 H ASN 48 HN ASN 48 2.478 8.317 -10.935 341 HA ASN 48 HA ASN 48 0.252 7.934 -10.713 342 1HB ASN 48 HB2 ASN 48 -0.293 8.970 -12.759 343 2HB ASN 48 HB1 ASN 48 0.434 7.681 -13.702 344 1HD2 ASN 48 HD21 ASN 48 -0.740 5.932 -14.245 345 2HD2 ASN 48 HD22 ASN 48 -2.412 5.735 -13.858 346 H GLU 49 HN GLU 49 2.517 5.691 -11.527 347 HA GLU 49 HA GLU 49 0.622 3.507 -11.019 348 1HB GLU 49 HB2 GLU 49 3.101 3.339 -12.718 349 2HB GLU 49 HB1 GLU 49 1.974 2.038 -12.402 350 1HG GLU 49 HG2 GLU 49 0.242 3.706 -13.446 351 2HG GLU 49 HG1 GLU 49 1.686 4.408 -14.174 352 H VAL 50 HN VAL 50 1.262 1.911 -9.627 353 HA VAL 50 HA VAL 50 3.951 1.909 -8.558 354 HB VAL 50 HB VAL 50 2.215 1.894 -6.268 355 1HG1 VAL 50 HG11 VAL 50 4.099 4.112 -6.620 356 2HG1 VAL 50 HG12 VAL 50 4.796 2.511 -6.857 357 3HG1 VAL 50 HG13 VAL 50 3.991 2.907 -5.341 358 1HG2 VAL 50 HG21 VAL 50 2.253 4.582 -7.591 359 2HG2 VAL 50 HG22 VAL 50 1.250 4.007 -6.260 360 3HG2 VAL 50 HG23 VAL 50 0.940 3.451 -7.900 361 H THR 51 HN THR 51 4.515 -0.146 -8.503 362 HA THR 51 HA THR 51 2.437 -2.139 -7.891 363 HB THR 51 HB THR 51 5.005 -2.664 -9.375 364 HG1 THR 51 HG1 THR 51 4.141 -1.791 -11.052 365 1HG2 THR 51 HG21 THR 51 3.941 -4.629 -10.199 366 2HG2 THR 51 HG22 THR 51 2.414 -4.184 -9.435 367 3HG2 THR 51 HG23 THR 51 3.804 -4.622 -8.441 368 H LEU 52 HN LEU 52 2.624 -3.210 -6.035 369 HA LEU 52 HA LEU 52 5.150 -3.027 -4.595 370 1HB LEU 52 HB2 LEU 52 3.619 -4.296 -2.830 371 2HB LEU 52 HB1 LEU 52 3.654 -2.562 -2.992 372 HG LEU 52 HG LEU 52 1.398 -3.480 -2.710 373 1HD1 LEU 52 HD11 LEU 52 0.809 -2.447 -5.243 374 2HD1 LEU 52 HD12 LEU 52 2.260 -1.612 -4.683 375 3HD1 LEU 52 HD13 LEU 52 0.800 -1.605 -3.695 376 1HD2 LEU 52 HD21 LEU 52 0.656 -5.216 -3.838 377 2HD2 LEU 52 HD22 LEU 52 2.247 -5.355 -4.581 378 3HD2 LEU 52 HD23 LEU 52 0.980 -4.417 -5.374 379 H LEU 53 HN LEU 53 6.276 -4.816 -3.819 380 HA LEU 53 HA LEU 53 5.750 -7.227 -5.383 381 1HB LEU 53 HB2 LEU 53 8.261 -6.761 -3.822 382 2HB LEU 53 HB1 LEU 53 8.022 -7.744 -5.252 383 HG LEU 53 HG LEU 53 7.461 -4.967 -5.820 384 1HD1 LEU 53 HD11 LEU 53 9.177 -4.843 -3.902 385 2HD1 LEU 53 HD12 LEU 53 9.491 -3.935 -5.382 386 3HD1 LEU 53 HD13 LEU 53 10.321 -5.463 -5.091 387 1HD2 LEU 53 HD21 LEU 53 8.147 -7.070 -7.263 388 2HD2 LEU 53 HD22 LEU 53 9.772 -6.459 -6.949 389 3HD2 LEU 53 HD23 LEU 53 8.584 -5.433 -7.755 390 H ALA 54 HN ALA 54 4.927 -8.941 -4.491 391 HA ALA 54 HA ALA 54 4.064 -9.243 -1.915 392 1HB ALA 54 HB1 ALA 54 4.105 -11.720 -2.400 393 2HB ALA 54 HB2 ALA 54 4.865 -11.313 -3.941 394 3HB ALA 54 HB3 ALA 54 3.250 -10.714 -3.570 395 H SER 55 HN SER 55 7.297 -9.179 -2.865 396 HA SER 55 HA SER 55 8.361 -11.085 -1.044 397 1HB SER 55 HB2 SER 55 10.534 -9.956 -1.495 398 2HB SER 55 HB1 SER 55 9.669 -10.382 -2.972 399 HG SER 55 HG SER 55 10.249 -7.890 -1.904 400 H TYR 56 HN TYR 56 7.880 -7.587 -0.920 401 HA TYR 56 HA TYR 56 8.977 -7.379 1.730 402 1HB TYR 56 HB2 TYR 56 9.025 -5.534 0.022 403 2HB TYR 56 HB1 TYR 56 7.290 -5.355 0.255 404 HD1 TYR 56 HD1 TYR 56 10.493 -5.346 2.167 405 HD2 TYR 56 HD2 TYR 56 6.501 -3.899 1.878 406 HE1 TYR 56 HE1 TYR 56 10.909 -3.836 4.062 407 HE2 TYR 56 HE2 TYR 56 6.908 -2.384 3.768 408 HH TYR 56 HH TYR 56 8.877 -2.592 5.905 409 H LEU 57 HN LEU 57 5.747 -7.058 0.299 410 HA LEU 57 HA LEU 57 4.349 -6.707 2.700 411 1HB LEU 57 HB2 LEU 57 2.709 -8.269 0.989 412 2HB LEU 57 HB1 LEU 57 2.612 -6.554 1.325 413 HG LEU 57 HG LEU 57 4.359 -7.751 -0.807 414 1HD1 LEU 57 HD11 LEU 57 1.514 -6.881 -0.821 415 2HD1 LEU 57 HD12 LEU 57 2.300 -8.192 -1.700 416 3HD1 LEU 57 HD13 LEU 57 2.510 -6.526 -2.232 417 1HD2 LEU 57 HD21 LEU 57 4.494 -5.284 0.383 418 2HD2 LEU 57 HD22 LEU 57 3.478 -4.969 -1.020 419 3HD2 LEU 57 HD23 LEU 57 5.083 -5.668 -1.230 420 H ASN 58 HN ASN 58 5.514 -9.594 1.083 421 HA ASN 58 HA ASN 58 4.148 -11.440 2.718 422 1HB ASN 58 HB2 ASN 58 5.053 -12.231 0.650 423 2HB ASN 58 HB1 ASN 58 6.673 -11.698 1.089 424 1HD2 ASN 58 HD21 ASN 58 7.462 -13.786 0.716 425 2HD2 ASN 58 HD22 ASN 58 7.203 -15.066 1.847 426 H THR 59 HN THR 59 6.930 -9.475 3.213 427 HA THR 59 HA THR 59 7.711 -11.047 5.562 428 HB THR 59 HB THR 59 9.262 -8.832 4.226 429 HG1 THR 59 HG1 THR 59 9.078 -10.493 2.762 430 1HG2 THR 59 HG21 THR 59 11.129 -10.371 5.304 431 2HG2 THR 59 HG22 THR 59 9.830 -10.691 6.454 432 3HG2 THR 59 HG23 THR 59 10.380 -9.036 6.178 433 H LEU 60 HN LEU 60 5.915 -8.260 4.855 434 HA LEU 60 HA LEU 60 6.694 -6.378 6.659 435 1HB LEU 60 HB2 LEU 60 4.424 -5.628 6.721 436 2HB LEU 60 HB1 LEU 60 4.799 -6.180 5.105 437 HG LEU 60 HG LEU 60 2.812 -7.125 7.000 438 1HD1 LEU 60 HD11 LEU 60 3.109 -6.562 4.180 439 2HD1 LEU 60 HD12 LEU 60 1.678 -6.484 5.207 440 3HD1 LEU 60 HD13 LEU 60 2.168 -8.021 4.496 441 1HD2 LEU 60 HD21 LEU 60 4.521 -9.105 5.568 442 2HD2 LEU 60 HD22 LEU 60 2.841 -9.443 5.948 443 3HD2 LEU 60 HD23 LEU 60 3.986 -9.111 7.243 444 HA PRO 61 HA PRO 61 6.322 -7.650 10.831 445 1HB PRO 61 HB2 PRO 61 4.056 -5.794 11.312 446 2HB PRO 61 HB1 PRO 61 5.610 -5.917 12.145 447 1HG PRO 61 HG2 PRO 61 5.134 -3.925 10.437 448 2HG PRO 61 HG1 PRO 61 6.728 -4.695 10.527 449 1HD PRO 61 HD2 PRO 61 4.570 -5.025 8.487 450 2HD PRO 61 HD1 PRO 61 6.333 -4.997 8.270 451 H GLU 62 HN GLU 62 4.821 -8.431 12.565 452 HA GLU 62 HA GLU 62 3.112 -10.461 11.541 453 1HB GLU 62 HB2 GLU 62 2.845 -11.151 13.786 454 2HB GLU 62 HB1 GLU 62 4.495 -10.558 13.661 455 1HG GLU 62 HG2 GLU 62 3.912 -8.508 14.741 456 2HG GLU 62 HG1 GLU 62 2.197 -8.920 14.703 457 H ASN 63 HN ASN 63 1.100 -10.466 13.451 458 HA ASN 63 HA ASN 63 -1.022 -9.529 12.241 459 1HB ASN 63 HB2 ASN 63 -2.221 -9.537 14.349 460 2HB ASN 63 HB1 ASN 63 -1.059 -10.858 14.325 461 1HD2 ASN 63 HD21 ASN 63 0.925 -10.581 15.484 462 2HD2 ASN 63 HD22 ASN 63 0.974 -9.550 16.869 463 H THR 64 HN THR 64 -0.151 -7.557 11.225 464 HA THR 64 HA THR 64 -0.931 -5.185 12.778 465 HB THR 64 HB THR 64 1.017 -3.974 11.676 466 HG1 THR 64 HG1 THR 64 1.447 -6.456 10.743 467 1HG2 THR 64 HG21 THR 64 0.864 -4.947 14.121 468 2HG2 THR 64 HG22 THR 64 2.343 -4.223 13.494 469 3HG2 THR 64 HG23 THR 64 2.167 -5.977 13.526 470 H THR 65 HN THR 65 -0.781 -3.214 11.234 471 HA THR 65 HA THR 65 -2.310 -3.956 8.841 472 HB THR 65 HB THR 65 -2.216 -1.144 9.748 473 HG1 THR 65 HG1 THR 65 -2.506 -1.984 11.730 474 1HG2 THR 65 HG21 THR 65 -3.725 -1.391 8.037 475 2HG2 THR 65 HG22 THR 65 -4.761 -1.530 9.459 476 3HG2 THR 65 HG23 THR 65 -4.252 -2.980 8.592 477 H LYS 66 HN LYS 66 -0.630 -4.316 7.401 478 HA LYS 66 HA LYS 66 1.552 -2.549 7.016 479 1HB LYS 66 HB2 LYS 66 1.633 -4.880 6.264 480 2HB LYS 66 HB1 LYS 66 0.336 -4.569 5.118 481 1HG LYS 66 HG2 LYS 66 2.544 -4.637 4.051 482 2HG LYS 66 HG1 LYS 66 1.753 -3.072 3.861 483 1HD LYS 66 HD2 LYS 66 3.240 -2.001 5.231 484 2HD LYS 66 HD1 LYS 66 3.574 -3.447 6.181 485 1HE LYS 66 HE2 LYS 66 4.474 -4.054 3.621 486 2HE LYS 66 HE1 LYS 66 4.980 -2.389 3.899 487 1HZ LYS 66 HZ1 LYS 66 5.423 -4.195 6.117 488 2HZ LYS 66 HZ2 LYS 66 6.436 -3.008 5.474 489 3HZ LYS 66 HZ3 LYS 66 6.343 -4.529 4.739 490 H THR 67 HN THR 67 0.679 -0.482 6.907 491 HA THR 67 HA THR 67 -1.186 0.123 4.767 492 HB THR 67 HB THR 67 -0.008 1.928 6.881 493 HG1 THR 67 HG1 THR 67 -2.526 0.636 6.787 494 1HG2 THR 67 HG21 THR 67 -0.923 3.579 5.728 495 2HG2 THR 67 HG22 THR 67 -2.484 2.893 6.177 496 3HG2 THR 67 HG23 THR 67 -1.743 2.466 4.633 497 H LEU 68 HN LEU 68 -0.675 1.051 2.902 498 HA LEU 68 HA LEU 68 2.062 1.969 2.499 499 1HB LEU 68 HB2 LEU 68 0.908 1.764 0.016 500 2HB LEU 68 HB1 LEU 68 1.944 0.572 0.767 501 HG LEU 68 HG LEU 68 -1.019 0.498 1.151 502 1HD1 LEU 68 HD11 LEU 68 -0.466 0.535 -1.281 503 2HD1 LEU 68 HD12 LEU 68 -1.254 -0.939 -0.727 504 3HD1 LEU 68 HD13 LEU 68 0.480 -0.924 -1.027 505 1HD2 LEU 68 HD21 LEU 68 -0.142 -2.039 1.138 506 2HD2 LEU 68 HD22 LEU 68 -0.231 -1.045 2.592 507 3HD2 LEU 68 HD23 LEU 68 1.296 -1.220 1.737 508 H THR 69 HN THR 69 1.759 4.079 3.276 509 HA THR 69 HA THR 69 -0.357 5.700 2.150 510 HB THR 69 HB THR 69 1.847 6.361 4.104 511 HG1 THR 69 HG1 THR 69 0.039 4.918 4.712 512 1HG2 THR 69 HG21 THR 69 -0.553 8.059 3.902 513 2HG2 THR 69 HG22 THR 69 0.684 8.264 2.666 514 3HG2 THR 69 HG23 THR 69 1.091 8.472 4.371 515 H PHE 70 HN PHE 70 -0.081 6.369 0.120 516 HA PHE 70 HA PHE 70 2.517 6.972 -0.954 517 1HB PHE 70 HB2 PHE 70 -0.266 7.307 -2.080 518 2HB PHE 70 HB1 PHE 70 1.209 7.575 -2.981 519 HD1 PHE 70 HD1 PHE 70 2.305 5.811 -4.042 520 HD2 PHE 70 HD2 PHE 70 -0.725 4.984 -1.180 521 HE1 PHE 70 HE1 PHE 70 2.338 3.445 -4.698 522 HE2 PHE 70 HE2 PHE 70 -0.698 2.609 -1.832 523 HZ PHE 70 HZ PHE 70 0.836 1.838 -3.601 524 H ASP 71 HN ASP 71 3.441 8.817 -0.121 525 HA ASP 71 HA ASP 71 1.912 11.070 0.656 526 1HB ASP 71 HB2 ASP 71 4.621 11.820 0.133 527 2HB ASP 71 HB1 ASP 71 3.805 11.617 1.671 528 H PHE 72 HN PHE 72 0.708 11.979 -0.881 529 HA PHE 72 HA PHE 72 1.902 12.686 -3.452 530 1HB PHE 72 HB2 PHE 72 -0.777 12.099 -2.502 531 2HB PHE 72 HB1 PHE 72 -0.729 13.606 -3.409 532 HD1 PHE 72 HD1 PHE 72 -0.305 9.986 -3.563 533 HD2 PHE 72 HD2 PHE 72 -0.183 13.625 -5.763 534 HE1 PHE 72 HE1 PHE 72 -0.332 8.719 -5.666 535 HE2 PHE 72 HE2 PHE 72 -0.211 12.358 -7.871 536 HZ PHE 72 HZ PHE 72 -0.284 9.896 -7.820 537 H GLY 73 HN GLY 73 2.534 13.999 -0.845 538 1HA GLY 73 HA2 GLY 73 3.208 16.160 -0.358 539 2HA GLY 73 HA1 GLY 73 2.361 16.706 -1.793 540 H VAL 74 HN VAL 74 -0.015 15.073 -0.589 541 HA VAL 74 HA VAL 74 -1.081 17.352 0.881 542 HB VAL 74 HB VAL 74 -3.262 16.251 0.658 543 1HG1 VAL 74 HG11 VAL 74 -3.219 16.155 -1.947 544 2HG1 VAL 74 HG12 VAL 74 -1.569 16.740 -1.744 545 3HG1 VAL 74 HG13 VAL 74 -2.920 17.678 -1.111 546 1HG2 VAL 74 HG21 VAL 74 -2.694 13.943 0.765 547 2HG2 VAL 74 HG22 VAL 74 -1.662 14.068 -0.656 548 3HG2 VAL 74 HG23 VAL 74 -3.409 14.228 -0.817 549 H GLY 75 HN GLY 75 -0.746 13.827 1.273 550 1HA GLY 75 HA2 GLY 75 -0.338 12.631 3.208 551 2HA GLY 75 HA1 GLY 75 -0.298 14.138 4.099 552 H THR 76 HN THR 76 -2.634 15.202 3.951 553 HA THR 76 HA THR 76 -4.264 13.782 5.680 554 HB THR 76 HB THR 76 -5.068 15.970 3.752 555 HG1 THR 76 HG1 THR 76 -4.208 16.091 6.451 556 1HG2 THR 76 HG21 THR 76 -6.401 15.709 6.364 557 2HG2 THR 76 HG22 THR 76 -6.839 14.522 5.136 558 3HG2 THR 76 HG23 THR 76 -7.035 16.242 4.807 559 H LYS 77 HN LYS 77 -5.224 14.562 2.341 560 HA LYS 77 HA LYS 77 -6.934 12.231 2.312 561 1HB LYS 77 HB2 LYS 77 -7.575 13.192 0.019 562 2HB LYS 77 HB1 LYS 77 -8.046 14.097 1.450 563 1HG LYS 77 HG2 LYS 77 -6.276 15.663 1.131 564 2HG LYS 77 HG1 LYS 77 -5.577 14.688 -0.160 565 1HD LYS 77 HD2 LYS 77 -6.786 15.860 -1.609 566 2HD LYS 77 HD1 LYS 77 -8.238 15.145 -0.903 567 1HE LYS 77 HE2 LYS 77 -8.583 17.469 -0.801 568 2HE LYS 77 HE1 LYS 77 -8.121 16.997 0.828 569 1HZ LYS 77 HZ1 LYS 77 -6.599 18.523 -1.161 570 2HZ LYS 77 HZ2 LYS 77 -5.755 17.596 -0.028 571 3HZ LYS 77 HZ3 LYS 77 -6.802 18.819 0.487 572 H ASN 78 HN ASN 78 -3.844 12.374 1.989 573 HA ASN 78 HA ASN 78 -3.108 11.572 -0.547 574 1HB ASN 78 HB2 ASN 78 -1.075 11.351 0.381 575 2HB ASN 78 HB1 ASN 78 -1.835 11.953 1.843 576 1HD2 ASN 78 HD21 ASN 78 -1.015 9.004 0.099 577 2HD2 ASN 78 HD22 ASN 78 -0.841 8.009 1.500 578 HA PRO 79 HA PRO 79 -5.285 7.702 -1.011 579 1HB PRO 79 HB2 PRO 79 -3.626 6.774 -3.044 580 2HB PRO 79 HB1 PRO 79 -5.075 7.758 -3.275 581 1HG PRO 79 HG2 PRO 79 -2.207 8.580 -3.213 582 2HG PRO 79 HG1 PRO 79 -3.535 9.199 -4.214 583 1HD PRO 79 HD2 PRO 79 -2.616 10.565 -2.096 584 2HD PRO 79 HD1 PRO 79 -4.341 10.560 -2.522 585 H LYS 80 HN LYS 80 -4.758 6.614 0.860 586 HA LYS 80 HA LYS 80 -2.202 5.148 0.839 587 1HB LYS 80 HB2 LYS 80 -2.141 6.468 2.763 588 2HB LYS 80 HB1 LYS 80 -3.857 6.267 3.069 589 1HG LYS 80 HG2 LYS 80 -2.153 3.849 3.205 590 2HG LYS 80 HG1 LYS 80 -2.015 5.031 4.507 591 1HD LYS 80 HD2 LYS 80 -4.698 4.051 3.598 592 2HD LYS 80 HD1 LYS 80 -3.736 3.114 4.741 593 1HE LYS 80 HE2 LYS 80 -4.970 5.820 5.068 594 2HE LYS 80 HE1 LYS 80 -5.072 4.413 6.125 595 1HZ LYS 80 HZ1 LYS 80 -2.531 4.818 6.370 596 2HZ LYS 80 HZ2 LYS 80 -3.624 5.747 7.265 597 3HZ LYS 80 HZ3 LYS 80 -2.914 6.390 5.872 598 H LEU 81 HN LEU 81 -2.188 2.979 1.156 599 HA LEU 81 HA LEU 81 -4.773 1.626 1.077 600 1HB LEU 81 HB2 LEU 81 -2.242 1.221 -0.299 601 2HB LEU 81 HB1 LEU 81 -2.852 -0.246 0.426 602 HG LEU 81 HG LEU 81 -4.609 1.438 -1.318 603 1HD1 LEU 81 HD11 LEU 81 -3.578 0.832 -3.191 604 2HD1 LEU 81 HD12 LEU 81 -3.460 -0.842 -2.662 605 3HD1 LEU 81 HD13 LEU 81 -2.223 0.318 -2.189 606 1HD2 LEU 81 HD21 LEU 81 -6.080 -0.196 -1.014 607 2HD2 LEU 81 HD22 LEU 81 -4.994 -0.862 0.202 608 3HD2 LEU 81 HD23 LEU 81 -4.894 -1.422 -1.463 609 H THR 82 HN THR 82 -5.326 1.054 3.125 610 HA THR 82 HA THR 82 -3.264 0.278 5.003 611 HB THR 82 HB THR 82 -4.914 1.580 6.020 612 HG1 THR 82 HG1 THR 82 -5.798 -1.049 6.563 613 1HG2 THR 82 HG21 THR 82 -6.750 1.774 4.694 614 2HG2 THR 82 HG22 THR 82 -7.379 0.680 5.926 615 3HG2 THR 82 HG23 THR 82 -6.842 0.043 4.372 616 H ILE 83 HN ILE 83 -2.434 -1.692 4.680 617 HA ILE 83 HA ILE 83 -4.238 -3.918 4.079 618 HB ILE 83 HB ILE 83 -1.233 -4.025 4.206 619 1HG1 ILE 83 HG12 ILE 83 -3.072 -3.098 2.050 620 2HG1 ILE 83 HG11 ILE 83 -1.462 -2.534 2.467 621 1HG2 ILE 83 HG21 ILE 83 -1.377 -6.152 3.485 622 2HG2 ILE 83 HG22 ILE 83 -2.782 -5.829 2.469 623 3HG2 ILE 83 HG23 ILE 83 -2.985 -6.065 4.205 624 1HD1 ILE 83 HD11 ILE 83 -0.451 -4.394 1.378 625 2HD1 ILE 83 HD12 ILE 83 -1.626 -3.682 0.270 626 3HD1 ILE 83 HD13 ILE 83 -2.015 -5.170 1.138 627 H THR 84 HN THR 84 -4.449 -5.687 5.416 628 HA THR 84 HA THR 84 -3.360 -5.326 8.117 629 HB THR 84 HB THR 84 -5.779 -6.969 7.418 630 HG1 THR 84 HG1 THR 84 -5.864 -4.323 8.392 631 1HG2 THR 84 HG21 THR 84 -5.494 -5.559 9.994 632 2HG2 THR 84 HG22 THR 84 -4.470 -6.971 9.730 633 3HG2 THR 84 HG23 THR 84 -6.224 -7.121 9.626 634 H VAL 85 HN VAL 85 -1.520 -6.510 8.149 635 HA VAL 85 HA VAL 85 -1.449 -9.142 6.945 636 HB VAL 85 HB VAL 85 0.629 -8.247 6.726 637 1HG1 VAL 85 HG11 VAL 85 0.398 -6.193 7.862 638 2HG1 VAL 85 HG12 VAL 85 1.794 -6.988 8.593 639 3HG1 VAL 85 HG13 VAL 85 0.243 -6.994 9.426 640 1HG2 VAL 85 HG21 VAL 85 2.160 -9.421 8.101 641 2HG2 VAL 85 HG22 VAL 85 0.717 -10.426 7.978 642 3HG2 VAL 85 HG23 VAL 85 1.013 -9.486 9.439 643 H LEU 86 HN LEU 86 -2.365 -10.776 7.915 644 HA LEU 86 HA LEU 86 -2.693 -10.769 10.811 645 1HB LEU 86 HB2 LEU 86 -4.366 -12.340 10.553 646 2HB LEU 86 HB1 LEU 86 -4.506 -11.392 9.088 647 HG LEU 86 HG LEU 86 -3.020 -13.231 8.029 648 1HD1 LEU 86 HD11 LEU 86 -4.177 -15.264 9.689 649 2HD1 LEU 86 HD12 LEU 86 -3.147 -14.202 10.650 650 3HD1 LEU 86 HD13 LEU 86 -2.491 -15.016 9.229 651 1HD2 LEU 86 HD21 LEU 86 -5.623 -12.723 7.919 652 2HD2 LEU 86 HD22 LEU 86 -5.697 -14.304 8.695 653 3HD2 LEU 86 HD23 LEU 86 -4.903 -14.126 7.131 654 HA PRO 87 HA PRO 87 0.484 -13.456 12.115 655 1HB PRO 87 HB2 PRO 87 -1.051 -15.526 13.254 656 2HB PRO 87 HB1 PRO 87 -0.399 -14.111 14.082 657 1HG PRO 87 HG2 PRO 87 -3.130 -14.589 13.010 658 2HG PRO 87 HG1 PRO 87 -2.620 -13.639 14.418 659 1HD PRO 87 HD2 PRO 87 -3.406 -12.462 12.143 660 2HD PRO 87 HD1 PRO 87 -2.098 -11.783 13.128 661 H LYS 88 HN LYS 88 1.589 -14.501 10.616 662 HA LYS 88 HA LYS 88 0.701 -15.986 8.505 663 1HB LYS 88 HB2 LYS 88 3.109 -17.218 9.479 664 2HB LYS 88 HB1 LYS 88 2.878 -16.196 8.072 665 1HG LYS 88 HG2 LYS 88 3.186 -14.210 9.453 666 2HG LYS 88 HG1 LYS 88 3.399 -15.232 10.876 667 1HD LYS 88 HD2 LYS 88 5.135 -15.520 8.441 668 2HD LYS 88 HD1 LYS 88 5.508 -14.358 9.718 669 1HE LYS 88 HE2 LYS 88 6.327 -15.954 11.036 670 2HE LYS 88 HE1 LYS 88 4.894 -16.959 10.813 671 1HZ LYS 88 HZ1 LYS 88 6.648 -16.895 8.527 672 2HZ LYS 88 HZ2 LYS 88 5.926 -18.214 9.300 673 3HZ LYS 88 HZ3 LYS 88 7.361 -17.559 9.910 674 H ASP 89 HN ASP 89 -0.631 -17.661 8.485 675 HA ASP 89 HA ASP 89 -0.329 -19.726 10.565 676 1HB ASP 89 HB2 ASP 89 -2.547 -18.331 10.209 677 2HB ASP 89 HB1 ASP 89 -2.815 -19.503 8.922 678 H ILE 90 HN ILE 90 -1.337 -21.903 9.702 679 HA ILE 90 HA ILE 90 -0.589 -22.401 6.924 680 HB ILE 90 HB ILE 90 0.522 -24.099 9.155 681 1HG1 ILE 90 HG12 ILE 90 1.514 -21.807 9.108 682 2HG1 ILE 90 HG11 ILE 90 2.672 -23.081 8.742 683 1HG2 ILE 90 HG21 ILE 90 0.648 -25.549 7.448 684 2HG2 ILE 90 HG22 ILE 90 2.025 -24.570 6.941 685 3HG2 ILE 90 HG23 ILE 90 0.434 -24.289 6.230 686 1HD1 ILE 90 HD11 ILE 90 2.209 -20.788 7.275 687 2HD1 ILE 90 HD12 ILE 90 1.420 -22.064 6.347 688 3HD1 ILE 90 HD13 ILE 90 3.130 -22.202 6.761 689 HA PRO 91 HA PRO 91 -4.415 -24.655 8.332 690 1HB PRO 91 HB2 PRO 91 -5.930 -23.944 6.192 691 2HB PRO 91 HB1 PRO 91 -5.789 -22.944 7.642 692 1HG PRO 91 HG2 PRO 91 -4.369 -22.690 5.017 693 2HG PRO 91 HG1 PRO 91 -5.091 -21.423 6.028 694 1HD PRO 91 HD2 PRO 91 -2.430 -21.927 6.005 695 2HD PRO 91 HD1 PRO 91 -3.279 -21.350 7.453 696 H GLY 92 HN GLY 92 -4.342 -26.765 7.921 697 1HA GLY 92 HA2 GLY 92 -3.174 -27.754 5.460 698 2HA GLY 92 HA1 GLY 92 -3.700 -28.721 6.832 699 H LEU 93 HN LEU 93 -6.355 -27.338 6.795 700 HA LEU 93 HA LEU 93 -8.435 -27.684 5.943 701 1HB LEU 93 HB2 LEU 93 -6.750 -27.699 3.469 702 2HB LEU 93 HB1 LEU 93 -8.455 -28.102 3.361 703 HG LEU 93 HG LEU 93 -8.291 -25.806 2.838 704 1HD1 LEU 93 HD11 LEU 93 -9.014 -25.682 5.740 705 2HD1 LEU 93 HD12 LEU 93 -10.013 -26.575 4.593 706 3HD1 LEU 93 HD13 LEU 93 -9.748 -24.844 4.371 707 1HD2 LEU 93 HD21 LEU 93 -7.190 -24.187 4.374 708 2HD2 LEU 93 HD22 LEU 93 -6.077 -25.324 3.616 709 3HD2 LEU 93 HD23 LEU 93 -6.566 -25.554 5.295 710 H GLU 94 HN GLU 94 -8.942 -29.568 7.002 711 HA GLU 94 HA GLU 94 -8.703 -32.018 5.396 712 1HB GLU 94 HB2 GLU 94 -7.035 -32.153 7.161 713 2HB GLU 94 HB1 GLU 94 -8.249 -31.776 8.375 714 1HG GLU 94 HG2 GLU 94 -9.316 -33.857 8.105 715 2HG GLU 94 HG1 GLU 94 -8.441 -34.197 6.613 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -5.745 23.746 -3.373 2 2H MET 1 HT2 MET 1 -4.160 23.147 -3.645 3 3H MET 1 HT3 MET 1 -4.646 23.604 -2.065 4 HA MET 1 HA MET 1 -4.843 21.393 -1.922 5 1HB MET 1 HB2 MET 1 -7.496 22.199 -3.130 6 2HB MET 1 HB1 MET 1 -7.214 20.896 -1.981 7 1HG MET 1 HG2 MET 1 -6.265 23.440 -0.981 8 2HG MET 1 HG1 MET 1 -7.976 23.486 -1.396 9 1HE MET 1 HE1 MET 1 -7.662 23.972 1.710 10 2HE MET 1 HE2 MET 1 -6.001 23.575 1.273 11 3HE MET 1 HE3 MET 1 -6.813 22.680 2.557 12 H GLN 2 HN GLN 2 -5.059 19.316 -2.833 13 HA GLN 2 HA GLN 2 -4.981 19.276 -5.779 14 1HB GLN 2 HB2 GLN 2 -3.718 17.097 -4.179 15 2HB GLN 2 HB1 GLN 2 -3.275 17.721 -5.764 16 1HG GLN 2 HG2 GLN 2 -1.545 18.377 -4.344 17 2HG GLN 2 HG1 GLN 2 -2.528 19.824 -4.562 18 1HE2 GLN 2 HE21 GLN 2 -0.937 19.947 -2.505 19 2HE2 GLN 2 HE22 GLN 2 -1.761 19.685 -1.009 20 H ASP 3 HN ASP 3 -5.587 17.110 -6.712 21 HA ASP 3 HA ASP 3 -7.565 15.674 -5.111 22 1HB ASP 3 HB2 ASP 3 -8.224 17.527 -7.158 23 2HB ASP 3 HB1 ASP 3 -8.621 15.914 -7.736 24 HA PRO 4 HA PRO 4 -5.089 12.759 -7.666 25 1HB PRO 4 HB2 PRO 4 -3.995 11.325 -5.705 26 2HB PRO 4 HB1 PRO 4 -3.355 12.917 -6.128 27 1HG PRO 4 HG2 PRO 4 -5.087 12.119 -3.835 28 2HG PRO 4 HG1 PRO 4 -3.771 13.302 -3.888 29 1HD PRO 4 HD2 PRO 4 -6.503 13.884 -4.043 30 2HD PRO 4 HD1 PRO 4 -5.182 14.979 -4.489 31 H THR 5 HN THR 5 -5.443 10.510 -8.063 32 HA THR 5 HA THR 5 -7.501 9.214 -6.438 33 HB THR 5 HB THR 5 -7.784 9.492 -9.432 34 HG1 THR 5 HG1 THR 5 -8.896 10.884 -7.273 35 1HG2 THR 5 HG21 THR 5 -9.004 7.712 -7.538 36 2HG2 THR 5 HG22 THR 5 -9.167 7.773 -9.294 37 3HG2 THR 5 HG23 THR 5 -10.210 8.769 -8.276 38 H ILE 6 HN ILE 6 -6.561 7.385 -5.842 39 HA ILE 6 HA ILE 6 -5.267 5.757 -7.918 40 HB ILE 6 HB ILE 6 -3.369 5.419 -6.717 41 1HG1 ILE 6 HG12 ILE 6 -4.313 4.367 -4.780 42 2HG1 ILE 6 HG11 ILE 6 -3.235 5.630 -4.213 43 1HG2 ILE 6 HG21 ILE 6 -2.526 7.460 -6.270 44 2HG2 ILE 6 HG22 ILE 6 -3.812 7.863 -5.138 45 3HG2 ILE 6 HG23 ILE 6 -4.084 8.010 -6.873 46 1HD1 ILE 6 HD11 ILE 6 -5.126 7.071 -3.790 47 2HD1 ILE 6 HD12 ILE 6 -5.301 5.537 -2.939 48 3HD1 ILE 6 HD13 ILE 6 -6.225 5.842 -4.405 49 H ASN 7 HN ASN 7 -4.647 3.551 -6.536 50 HA ASN 7 HA ASN 7 -6.906 2.004 -6.451 51 1HB ASN 7 HB2 ASN 7 -5.579 0.344 -5.314 52 2HB ASN 7 HB1 ASN 7 -4.522 1.208 -6.421 53 1HD2 ASN 7 HD21 ASN 7 -3.273 3.001 -5.495 54 2HD2 ASN 7 HD22 ASN 7 -2.673 2.837 -3.887 55 HA PRO 8 HA PRO 8 -9.234 2.427 -2.824 56 1HB PRO 8 HB2 PRO 8 -8.349 -0.215 -1.787 57 2HB PRO 8 HB1 PRO 8 -9.985 0.389 -2.071 58 1HG PRO 8 HG2 PRO 8 -8.895 -1.358 -3.746 59 2HG PRO 8 HG1 PRO 8 -9.879 -0.019 -4.359 60 1HD PRO 8 HD2 PRO 8 -6.902 -0.317 -4.313 61 2HD PRO 8 HD1 PRO 8 -7.941 0.357 -5.580 62 H THR 9 HN THR 9 -8.875 1.355 -0.209 63 HA THR 9 HA THR 9 -6.290 2.406 0.643 64 HB THR 9 HB THR 9 -8.602 3.301 2.240 65 HG1 THR 9 HG1 THR 9 -9.377 4.672 0.810 66 1HG2 THR 9 HG21 THR 9 -5.895 4.170 1.690 67 2HG2 THR 9 HG22 THR 9 -6.939 4.517 3.066 68 3HG2 THR 9 HG23 THR 9 -7.064 5.484 1.596 69 H SER 10 HN SER 10 -8.545 -0.019 0.890 70 HA SER 10 HA SER 10 -7.482 -0.808 3.508 71 1HB SER 10 HB2 SER 10 -9.565 -1.427 4.333 72 2HB SER 10 HB1 SER 10 -9.959 0.027 3.422 73 HG SER 10 HG SER 10 -11.054 -2.287 3.124 74 H ILE 11 HN ILE 11 -6.630 -2.737 3.584 75 HA ILE 11 HA ILE 11 -7.546 -4.927 1.947 76 HB ILE 11 HB ILE 11 -6.101 -4.040 0.308 77 1HG1 ILE 11 HG12 ILE 11 -4.014 -5.810 1.312 78 2HG1 ILE 11 HG11 ILE 11 -5.619 -6.516 1.452 79 1HG2 ILE 11 HG21 ILE 11 -4.108 -2.972 0.639 80 2HG2 ILE 11 HG22 ILE 11 -3.719 -3.913 2.081 81 3HG2 ILE 11 HG23 ILE 11 -4.908 -2.613 2.170 82 1HD1 ILE 11 HD11 ILE 11 -5.540 -7.062 -0.678 83 2HD1 ILE 11 HD12 ILE 11 -3.963 -6.289 -0.835 84 3HD1 ILE 11 HD13 ILE 11 -5.434 -5.357 -1.107 85 H SER 12 HN SER 12 -7.072 -6.891 2.843 86 HA SER 12 HA SER 12 -5.076 -7.053 4.968 87 1HB SER 12 HB2 SER 12 -7.414 -8.406 5.919 88 2HB SER 12 HB1 SER 12 -6.520 -7.087 6.672 89 HG SER 12 HG SER 12 -8.602 -6.386 6.319 90 H ALA 13 HN ALA 13 -4.141 -9.012 5.153 91 HA ALA 13 HA ALA 13 -5.304 -11.458 4.363 92 1HB ALA 13 HB1 ALA 13 -4.651 -11.755 2.244 93 2HB ALA 13 HB2 ALA 13 -3.063 -11.043 2.540 94 3HB ALA 13 HB3 ALA 13 -4.447 -10.005 2.200 95 H LYS 14 HN LYS 14 -3.590 -13.200 4.285 96 HA LYS 14 HA LYS 14 -1.952 -12.954 6.606 97 1HB LYS 14 HB2 LYS 14 -2.841 -15.122 6.157 98 2HB LYS 14 HB1 LYS 14 -2.241 -15.107 4.508 99 1HG LYS 14 HG2 LYS 14 0.089 -14.930 5.741 100 2HG LYS 14 HG1 LYS 14 -0.819 -15.694 7.044 101 1HD LYS 14 HD2 LYS 14 -0.756 -17.667 6.016 102 2HD LYS 14 HD1 LYS 14 -1.386 -16.967 4.522 103 1HE LYS 14 HE2 LYS 14 0.686 -16.666 3.625 104 2HE LYS 14 HE1 LYS 14 1.453 -16.450 5.199 105 1HZ LYS 14 HZ1 LYS 14 2.159 -18.517 4.256 106 2HZ LYS 14 HZ2 LYS 14 0.565 -19.015 3.998 107 3HZ LYS 14 HZ3 LYS 14 1.155 -18.856 5.574 108 H ALA 15 HN ALA 15 0.210 -12.446 6.745 109 HA ALA 15 HA ALA 15 1.374 -11.085 4.621 110 1HB ALA 15 HB1 ALA 15 3.518 -11.221 5.881 111 2HB ALA 15 HB2 ALA 15 2.731 -12.322 7.012 112 3HB ALA 15 HB3 ALA 15 2.158 -10.665 6.858 113 H GLY 16 HN GLY 16 1.554 -11.942 2.774 114 1HA GLY 16 HA2 GLY 16 3.435 -13.220 1.584 115 2HA GLY 16 HA1 GLY 16 2.768 -14.592 2.468 116 H SER 17 HN SER 17 0.039 -13.798 2.332 117 HA SER 17 HA SER 17 -0.637 -14.853 -0.214 118 1HB SER 17 HB2 SER 17 -2.897 -13.663 0.930 119 2HB SER 17 HB1 SER 17 -2.430 -15.352 1.030 120 HG SER 17 HG SER 17 -1.992 -13.271 2.864 121 H PHE 18 HN PHE 18 0.700 -12.060 0.332 122 HA PHE 18 HA PHE 18 -1.132 -10.359 -1.127 123 1HB PHE 18 HB2 PHE 18 1.401 -9.918 0.400 124 2HB PHE 18 HB1 PHE 18 0.674 -8.669 -0.573 125 HD1 PHE 18 HD1 PHE 18 -1.768 -8.045 -0.064 126 HD2 PHE 18 HD2 PHE 18 0.726 -10.239 2.587 127 HE1 PHE 18 HE1 PHE 18 -3.248 -7.461 1.810 128 HE2 PHE 18 HE2 PHE 18 -0.746 -9.661 4.464 129 HZ PHE 18 HZ PHE 18 -2.736 -8.268 4.079 130 H ALA 19 HN ALA 19 -0.869 -11.515 -3.116 131 HA ALA 19 HA ALA 19 1.656 -11.743 -4.404 132 1HB ALA 19 HB1 ALA 19 -1.111 -12.326 -5.048 133 2HB ALA 19 HB2 ALA 19 0.359 -13.123 -5.590 134 3HB ALA 19 HB3 ALA 19 -0.224 -11.691 -6.433 135 H ASP 20 HN ASP 20 2.375 -10.540 -6.287 136 HA ASP 20 HA ASP 20 2.762 -7.919 -6.035 137 1HB ASP 20 HB2 ASP 20 3.666 -9.328 -7.884 138 2HB ASP 20 HB1 ASP 20 2.122 -9.161 -8.712 139 H THR 21 HN THR 21 1.439 -6.269 -5.590 140 HA THR 21 HA THR 21 -1.213 -6.268 -6.886 141 HB THR 21 HB THR 21 -0.543 -4.609 -4.481 142 HG1 THR 21 HG1 THR 21 -0.125 -6.445 -3.524 143 1HG2 THR 21 HG21 THR 21 -3.056 -5.778 -5.613 144 2HG2 THR 21 HG22 THR 21 -2.669 -4.087 -5.292 145 3HG2 THR 21 HG23 THR 21 -2.950 -5.198 -3.951 146 H LYS 22 HN LYS 22 -1.000 -5.075 -8.710 147 HA LYS 22 HA LYS 22 0.692 -2.834 -8.925 148 1HB LYS 22 HB2 LYS 22 -1.065 -4.356 -10.647 149 2HB LYS 22 HB1 LYS 22 -1.261 -2.631 -10.924 150 1HG LYS 22 HG2 LYS 22 1.523 -3.335 -10.743 151 2HG LYS 22 HG1 LYS 22 0.699 -4.298 -11.971 152 1HD LYS 22 HD2 LYS 22 1.169 -2.497 -13.264 153 2HD LYS 22 HD1 LYS 22 -0.319 -1.890 -12.547 154 1HE LYS 22 HE2 LYS 22 1.430 -1.107 -10.672 155 2HE LYS 22 HE1 LYS 22 2.479 -1.071 -12.089 156 1HZ LYS 22 HZ1 LYS 22 0.784 0.900 -11.322 157 2HZ LYS 22 HZ2 LYS 22 -0.075 0.134 -12.556 158 3HZ LYS 22 HZ3 LYS 22 1.470 0.737 -12.860 159 H ILE 23 HN ILE 23 -0.055 -0.697 -9.493 160 HA ILE 23 HA ILE 23 -2.617 0.138 -8.453 161 HB ILE 23 HB ILE 23 -0.033 0.812 -7.165 162 1HG1 ILE 23 HG12 ILE 23 -2.723 -0.029 -6.110 163 2HG1 ILE 23 HG11 ILE 23 -1.306 -1.054 -6.264 164 1HG2 ILE 23 HG21 ILE 23 -1.382 2.539 -5.857 165 2HG2 ILE 23 HG22 ILE 23 -2.534 2.456 -7.190 166 3HG2 ILE 23 HG23 ILE 23 -0.875 2.973 -7.490 167 1HD1 ILE 23 HD11 ILE 23 -0.174 0.627 -4.693 168 2HD1 ILE 23 HD12 ILE 23 -1.338 -0.507 -4.018 169 3HD1 ILE 23 HD13 ILE 23 -1.813 1.156 -4.329 170 H THR 24 HN THR 24 -3.260 2.198 -9.109 171 HA THR 24 HA THR 24 -1.474 3.557 -11.016 172 HB THR 24 HB THR 24 -4.477 3.376 -11.297 173 HG1 THR 24 HG1 THR 24 -3.506 1.315 -11.556 174 1HG2 THR 24 HG21 THR 24 -4.314 4.478 -13.251 175 2HG2 THR 24 HG22 THR 24 -2.715 3.827 -13.614 176 3HG2 THR 24 HG23 THR 24 -2.886 5.165 -12.476 177 H LEU 25 HN LEU 25 -0.820 5.203 -9.689 178 HA LEU 25 HA LEU 25 -2.663 6.651 -8.038 179 1HB LEU 25 HB2 LEU 25 0.249 6.672 -8.624 180 2HB LEU 25 HB1 LEU 25 -0.470 8.049 -7.845 181 HG LEU 25 HG LEU 25 -1.375 5.734 -6.476 182 1HD1 LEU 25 HD11 LEU 25 0.341 4.339 -6.332 183 2HD1 LEU 25 HD12 LEU 25 1.466 5.658 -6.003 184 3HD1 LEU 25 HD13 LEU 25 1.080 5.225 -7.667 185 1HD2 LEU 25 HD21 LEU 25 -0.797 8.219 -5.800 186 2HD2 LEU 25 HD22 LEU 25 0.739 7.484 -5.353 187 3HD2 LEU 25 HD23 LEU 25 -0.758 6.906 -4.629 188 H THR 26 HN THR 26 -4.104 7.863 -9.210 189 HA THR 26 HA THR 26 -3.412 9.247 -11.599 190 HB THR 26 HB THR 26 -5.768 9.722 -9.760 191 HG1 THR 26 HG1 THR 26 -5.491 7.556 -10.703 192 1HG2 THR 26 HG21 THR 26 -5.085 10.732 -12.460 193 2HG2 THR 26 HG22 THR 26 -5.947 11.516 -11.137 194 3HG2 THR 26 HG23 THR 26 -6.762 10.303 -12.124 195 HA PRO 27 HA PRO 27 -1.504 12.651 -9.336 196 1HB PRO 27 HB2 PRO 27 0.203 13.344 -11.188 197 2HB PRO 27 HB1 PRO 27 0.329 11.734 -10.467 198 1HG PRO 27 HG2 PRO 27 -0.959 12.519 -13.058 199 2HG PRO 27 HG1 PRO 27 0.217 11.235 -12.762 200 1HD PRO 27 HD2 PRO 27 -2.487 10.822 -12.843 201 2HD PRO 27 HD1 PRO 27 -1.357 9.798 -11.933 202 H ASN 28 HN ASN 28 -3.673 12.685 -11.762 203 HA ASN 28 HA ASN 28 -3.725 14.805 -13.251 204 1HB ASN 28 HB2 ASN 28 -5.615 13.019 -12.516 205 2HB ASN 28 HB1 ASN 28 -6.265 14.482 -11.788 206 1HD2 ASN 28 HD21 ASN 28 -7.852 13.553 -13.565 207 2HD2 ASN 28 HD22 ASN 28 -7.750 14.372 -15.083 208 H GLY 29 HN GLY 29 -2.320 16.049 -11.859 209 1HA GLY 29 HA2 GLY 29 -2.464 18.440 -11.295 210 2HA GLY 29 HA1 GLY 29 -3.852 18.036 -10.301 211 H ASN 30 HN ASN 30 -2.514 15.597 -9.346 212 HA ASN 30 HA ASN 30 -0.825 16.838 -7.299 213 1HB ASN 30 HB2 ASN 30 -1.637 14.045 -6.917 214 2HB ASN 30 HB1 ASN 30 -1.712 15.399 -5.803 215 1HD2 ASN 30 HD21 ASN 30 -3.298 14.046 -8.662 216 2HD2 ASN 30 HD22 ASN 30 -4.884 14.593 -8.255 217 H THR 31 HN THR 31 0.891 15.359 -6.403 218 HA THR 31 HA THR 31 2.186 13.792 -8.528 219 HB THR 31 HB THR 31 3.242 16.027 -8.355 220 HG1 THR 31 HG1 THR 31 4.610 14.409 -8.964 221 1HG2 THR 31 HG21 THR 31 3.659 17.011 -6.426 222 2HG2 THR 31 HG22 THR 31 4.731 15.687 -5.969 223 3HG2 THR 31 HG23 THR 31 3.015 15.610 -5.571 224 H PHE 32 HN PHE 32 3.926 12.362 -7.640 225 HA PHE 32 HA PHE 32 3.119 11.323 -5.002 226 1HB PHE 32 HB2 PHE 32 2.600 9.806 -6.888 227 2HB PHE 32 HB1 PHE 32 4.301 9.791 -7.328 228 HD1 PHE 32 HD1 PHE 32 4.578 7.436 -7.110 229 HD2 PHE 32 HD2 PHE 32 3.149 9.755 -3.842 230 HE1 PHE 32 HE1 PHE 32 4.972 5.538 -5.597 231 HE2 PHE 32 HE2 PHE 32 3.545 7.863 -2.323 232 HZ PHE 32 HZ PHE 32 4.458 5.750 -3.199 233 H ASN 33 HN ASN 33 4.660 10.846 -3.497 234 HA ASN 33 HA ASN 33 7.429 11.570 -4.194 235 1HB ASN 33 HB2 ASN 33 5.860 12.782 -2.323 236 2HB ASN 33 HB1 ASN 33 6.683 11.575 -1.341 237 1HD2 ASN 33 HD21 ASN 33 7.223 14.184 -3.647 238 2HD2 ASN 33 HD22 ASN 33 8.776 14.642 -3.038 239 H GLY 34 HN GLY 34 5.373 9.318 -2.417 240 1HA GLY 34 HA2 GLY 34 6.407 6.962 -2.815 241 2HA GLY 34 HA1 GLY 34 7.709 7.631 -1.845 242 H ILE 35 HN ILE 35 6.269 5.331 -1.127 243 HA ILE 35 HA ILE 35 4.455 6.186 0.998 244 HB ILE 35 HB ILE 35 5.141 3.325 0.560 245 1HG1 ILE 35 HG12 ILE 35 4.744 4.459 -1.710 246 2HG1 ILE 35 HG11 ILE 35 3.791 3.033 -1.335 247 1HG2 ILE 35 HG21 ILE 35 2.366 3.804 0.768 248 2HG2 ILE 35 HG22 ILE 35 3.173 4.826 1.955 249 3HG2 ILE 35 HG23 ILE 35 3.444 3.086 1.963 250 1HD1 ILE 35 HD11 ILE 35 2.370 5.306 -0.425 251 2HD1 ILE 35 HD12 ILE 35 1.945 4.176 -1.710 252 3HD1 ILE 35 HD13 ILE 35 2.910 5.607 -2.075 253 H SER 36 HN SER 36 5.767 6.979 2.587 254 HA SER 36 HA SER 36 8.270 5.944 3.336 255 1HB SER 36 HB2 SER 36 6.270 7.613 4.867 256 2HB SER 36 HB1 SER 36 7.863 7.203 5.507 257 HG SER 36 HG SER 36 7.399 8.535 3.044 258 H GLU 37 HN GLU 37 5.055 5.076 4.515 259 HA GLU 37 HA GLU 37 5.745 3.620 6.723 260 1HB GLU 37 HB2 GLU 37 3.697 2.249 5.670 261 2HB GLU 37 HB1 GLU 37 3.488 3.725 6.569 262 1HG GLU 37 HG2 GLU 37 3.923 3.855 3.640 263 2HG GLU 37 HG1 GLU 37 2.358 3.314 4.230 264 H LEU 38 HN LEU 38 6.159 3.024 3.346 265 HA LEU 38 HA LEU 38 7.580 0.559 3.951 266 1HB LEU 38 HB2 LEU 38 6.423 -0.034 1.533 267 2HB LEU 38 HB1 LEU 38 5.953 -0.685 3.085 268 HG LEU 38 HG LEU 38 4.612 1.801 2.734 269 1HD1 LEU 38 HD11 LEU 38 3.354 1.432 0.739 270 2HD1 LEU 38 HD12 LEU 38 4.161 -0.104 0.454 271 3HD1 LEU 38 HD13 LEU 38 5.066 1.398 0.322 272 1HD2 LEU 38 HD21 LEU 38 2.658 0.475 3.079 273 2HD2 LEU 38 HD22 LEU 38 3.940 -0.178 4.096 274 3HD2 LEU 38 HD23 LEU 38 3.503 -0.990 2.593 275 H GLN 39 HN GLN 39 9.375 1.958 3.629 276 HA GLN 39 HA GLN 39 10.180 3.604 1.804 277 1HB GLN 39 HB2 GLN 39 12.455 2.346 1.838 278 2HB GLN 39 HB1 GLN 39 11.832 3.042 3.328 279 1HG GLN 39 HG2 GLN 39 10.889 0.344 2.975 280 2HG GLN 39 HG1 GLN 39 12.648 0.421 2.904 281 1HE2 GLN 39 HE21 GLN 39 12.082 -0.937 4.906 282 2HE2 GLN 39 HE22 GLN 39 12.034 -0.075 6.403 283 H SER 40 HN SER 40 9.277 3.488 0.025 284 HA SER 40 HA SER 40 8.415 2.439 -1.958 285 1HB SER 40 HB2 SER 40 9.708 4.424 -2.418 286 2HB SER 40 HB1 SER 40 11.208 3.498 -2.363 287 HG SER 40 HG SER 40 10.710 2.551 -4.260 288 H SER 41 HN SER 41 11.605 1.256 -1.099 289 HA SER 41 HA SER 41 11.954 -0.639 -3.070 290 1HB SER 41 HB2 SER 41 12.774 -1.779 -0.559 291 2HB SER 41 HB1 SER 41 13.778 -1.111 -1.848 292 HG SER 41 HG SER 41 14.034 0.632 -0.713 293 H GLN 42 HN GLN 42 9.692 -0.622 -0.457 294 HA GLN 42 HA GLN 42 9.095 -3.346 -0.267 295 1HB GLN 42 HB2 GLN 42 7.239 -1.003 0.103 296 2HB GLN 42 HB1 GLN 42 7.129 -2.570 0.856 297 1HG GLN 42 HG2 GLN 42 8.816 -0.283 1.544 298 2HG GLN 42 HG1 GLN 42 8.034 -1.461 2.572 299 1HE2 GLN 42 HE21 GLN 42 10.913 -0.525 1.038 300 2HE2 GLN 42 HE22 GLN 42 11.891 -1.859 1.532 301 H TYR 43 HN TYR 43 8.136 -0.863 -2.462 302 HA TYR 43 HA TYR 43 6.563 -2.805 -4.020 303 1HB TYR 43 HB2 TYR 43 5.062 -0.961 -4.684 304 2HB TYR 43 HB1 TYR 43 5.006 -1.294 -2.960 305 HD1 TYR 43 HD1 TYR 43 5.627 0.352 -1.370 306 HD2 TYR 43 HD2 TYR 43 6.251 1.057 -5.516 307 HE1 TYR 43 HE1 TYR 43 6.077 2.719 -0.894 308 HE2 TYR 43 HE2 TYR 43 6.697 3.427 -5.049 309 HH TYR 43 HH TYR 43 6.351 5.079 -3.414 310 H THR 44 HN THR 44 6.014 -1.332 -6.171 311 HA THR 44 HA THR 44 8.613 -0.595 -7.298 312 HB THR 44 HB THR 44 6.598 -1.832 -9.088 313 HG1 THR 44 HG1 THR 44 8.107 -3.336 -7.221 314 1HG2 THR 44 HG21 THR 44 8.446 -2.722 -10.226 315 2HG2 THR 44 HG22 THR 44 9.524 -2.441 -8.860 316 3HG2 THR 44 HG23 THR 44 8.903 -1.077 -9.790 317 H LYS 45 HN LYS 45 8.161 1.533 -7.040 318 HA LYS 45 HA LYS 45 5.772 2.801 -7.851 319 1HB LYS 45 HB2 LYS 45 7.794 4.732 -7.978 320 2HB LYS 45 HB1 LYS 45 6.695 4.439 -6.647 321 1HG LYS 45 HG2 LYS 45 8.902 4.467 -5.777 322 2HG LYS 45 HG1 LYS 45 8.357 2.791 -5.757 323 1HD LYS 45 HD2 LYS 45 10.053 2.172 -7.062 324 2HD LYS 45 HD1 LYS 45 9.627 3.390 -8.265 325 1HE LYS 45 HE2 LYS 45 11.344 3.789 -5.819 326 2HE LYS 45 HE1 LYS 45 11.890 3.752 -7.494 327 1HZ LYS 45 HZ1 LYS 45 10.071 5.678 -7.627 328 2HZ LYS 45 HZ2 LYS 45 11.700 5.972 -7.275 329 3HZ LYS 45 HZ3 LYS 45 10.570 5.880 -6.022 330 H GLY 46 HN GLY 46 5.515 4.353 -9.552 331 1HA GLY 46 HA2 GLY 46 7.322 4.392 -11.778 332 2HA GLY 46 HA1 GLY 46 5.892 3.411 -12.085 333 H THR 47 HN THR 47 6.977 6.634 -11.150 334 HA THR 47 HA THR 47 5.586 8.561 -10.954 335 HB THR 47 HB THR 47 7.185 8.866 -12.721 336 HG1 THR 47 HG1 THR 47 6.143 10.445 -13.764 337 1HG2 THR 47 HG21 THR 47 5.542 6.953 -14.156 338 2HG2 THR 47 HG22 THR 47 7.226 7.416 -14.400 339 3HG2 THR 47 HG23 THR 47 5.936 8.382 -15.112 340 H ASN 48 HN ASN 48 3.520 8.369 -10.271 341 HA ASN 48 HA ASN 48 1.254 8.652 -10.530 342 1HB ASN 48 HB2 ASN 48 1.403 7.727 -13.389 343 2HB ASN 48 HB1 ASN 48 0.213 8.780 -12.631 344 1HD2 ASN 48 HD21 ASN 48 1.696 9.275 -15.023 345 2HD2 ASN 48 HD22 ASN 48 2.641 10.696 -14.752 346 H GLU 49 HN GLU 49 3.066 5.904 -10.899 347 HA GLU 49 HA GLU 49 0.752 4.237 -10.277 348 1HB GLU 49 HB2 GLU 49 2.627 3.846 -12.571 349 2HB GLU 49 HB1 GLU 49 1.952 2.438 -11.765 350 1HG GLU 49 HG2 GLU 49 -0.032 2.704 -12.724 351 2HG GLU 49 HG1 GLU 49 -0.050 4.439 -12.414 352 H VAL 50 HN VAL 50 1.389 2.104 -9.408 353 HA VAL 50 HA VAL 50 4.083 1.774 -8.430 354 HB VAL 50 HB VAL 50 1.832 2.282 -6.481 355 1HG1 VAL 50 HG11 VAL 50 3.851 1.976 -4.841 356 2HG1 VAL 50 HG12 VAL 50 4.485 0.981 -6.151 357 3HG1 VAL 50 HG13 VAL 50 2.933 0.583 -5.415 358 1HG2 VAL 50 HG21 VAL 50 2.893 4.311 -7.375 359 2HG2 VAL 50 HG22 VAL 50 4.461 3.708 -6.848 360 3HG2 VAL 50 HG23 VAL 50 3.222 4.095 -5.657 361 H THR 51 HN THR 51 4.431 -0.320 -7.505 362 HA THR 51 HA THR 51 2.168 -2.173 -7.740 363 HB THR 51 HB THR 51 4.885 -2.563 -8.993 364 HG1 THR 51 HG1 THR 51 3.791 -1.449 -10.448 365 1HG2 THR 51 HG21 THR 51 3.917 -4.664 -8.065 366 2HG2 THR 51 HG22 THR 51 4.150 -4.666 -9.814 367 3HG2 THR 51 HG23 THR 51 2.538 -4.431 -9.139 368 H LEU 52 HN LEU 52 1.950 -3.144 -5.848 369 HA LEU 52 HA LEU 52 3.984 -3.287 -3.870 370 1HB LEU 52 HB2 LEU 52 1.297 -4.627 -4.170 371 2HB LEU 52 HB1 LEU 52 2.327 -4.871 -2.776 372 HG LEU 52 HG LEU 52 2.235 -2.395 -2.395 373 1HD1 LEU 52 HD11 LEU 52 0.054 -2.570 -4.461 374 2HD1 LEU 52 HD12 LEU 52 1.571 -1.686 -4.610 375 3HD1 LEU 52 HD13 LEU 52 0.369 -1.177 -3.425 376 1HD2 LEU 52 HD21 LEU 52 0.671 -4.333 -1.459 377 2HD2 LEU 52 HD22 LEU 52 -0.553 -3.359 -2.270 378 3HD2 LEU 52 HD23 LEU 52 0.453 -2.641 -1.016 379 H LEU 53 HN LEU 53 5.451 -4.912 -3.472 380 HA LEU 53 HA LEU 53 5.312 -7.158 -5.338 381 1HB LEU 53 HB2 LEU 53 7.564 -5.710 -4.043 382 2HB LEU 53 HB1 LEU 53 7.794 -7.408 -4.415 383 HG LEU 53 HG LEU 53 6.993 -5.328 -6.448 384 1HD1 LEU 53 HD11 LEU 53 9.167 -4.724 -5.840 385 2HD1 LEU 53 HD12 LEU 53 9.379 -5.756 -7.256 386 3HD1 LEU 53 HD13 LEU 53 9.674 -6.401 -5.641 387 1HD2 LEU 53 HD21 LEU 53 8.207 -7.523 -7.662 388 2HD2 LEU 53 HD22 LEU 53 6.493 -7.102 -7.693 389 3HD2 LEU 53 HD23 LEU 53 7.108 -8.210 -6.466 390 H ALA 54 HN ALA 54 4.378 -8.877 -4.510 391 HA ALA 54 HA ALA 54 3.758 -9.579 -2.001 392 1HB ALA 54 HB1 ALA 54 3.372 -11.721 -2.748 393 2HB ALA 54 HB2 ALA 54 4.814 -11.741 -3.762 394 3HB ALA 54 HB3 ALA 54 3.399 -10.814 -4.260 395 H SER 55 HN SER 55 6.990 -9.433 -3.163 396 HA SER 55 HA SER 55 8.139 -11.306 -1.353 397 1HB SER 55 HB2 SER 55 9.237 -10.469 -3.467 398 2HB SER 55 HB1 SER 55 9.522 -8.941 -2.637 399 HG SER 55 HG SER 55 11.187 -9.829 -1.743 400 H TYR 56 HN TYR 56 7.729 -7.802 -1.338 401 HA TYR 56 HA TYR 56 8.962 -7.345 1.162 402 1HB TYR 56 HB2 TYR 56 8.814 -5.384 0.017 403 2HB TYR 56 HB1 TYR 56 7.346 -5.856 -0.810 404 HD1 TYR 56 HD1 TYR 56 8.566 -4.752 2.531 405 HD2 TYR 56 HD2 TYR 56 5.327 -4.896 -0.217 406 HE1 TYR 56 HE1 TYR 56 7.252 -3.292 4.008 407 HE2 TYR 56 HE2 TYR 56 4.002 -3.436 1.246 408 HH TYR 56 HH TYR 56 3.895 -2.757 3.550 409 H LEU 57 HN LEU 57 5.603 -7.206 0.147 410 HA LEU 57 HA LEU 57 4.360 -6.991 2.585 411 1HB LEU 57 HB2 LEU 57 3.535 -7.308 -0.001 412 2HB LEU 57 HB1 LEU 57 2.997 -8.809 0.722 413 HG LEU 57 HG LEU 57 1.383 -7.793 1.977 414 1HD1 LEU 57 HD11 LEU 57 2.521 -6.395 3.415 415 2HD1 LEU 57 HD12 LEU 57 1.550 -5.254 2.486 416 3HD1 LEU 57 HD13 LEU 57 3.258 -5.471 2.104 417 1HD2 LEU 57 HD21 LEU 57 1.301 -5.434 0.273 418 2HD2 LEU 57 HD22 LEU 57 0.142 -6.754 0.443 419 3HD2 LEU 57 HD23 LEU 57 1.533 -6.933 -0.621 420 H ASN 58 HN ASN 58 5.363 -9.953 0.932 421 HA ASN 58 HA ASN 58 4.332 -11.745 2.861 422 1HB ASN 58 HB2 ASN 58 4.927 -12.461 0.592 423 2HB ASN 58 HB1 ASN 58 6.622 -12.121 0.919 424 1HD2 ASN 58 HD21 ASN 58 6.943 -14.348 0.313 425 2HD2 ASN 58 HD22 ASN 58 6.705 -15.593 1.487 426 H THR 59 HN THR 59 7.099 -9.717 2.850 427 HA THR 59 HA THR 59 8.410 -11.270 4.947 428 HB THR 59 HB THR 59 9.336 -8.811 3.460 429 HG1 THR 59 HG1 THR 59 10.356 -10.153 2.164 430 1HG2 THR 59 HG21 THR 59 11.586 -9.472 4.324 431 2HG2 THR 59 HG22 THR 59 10.759 -10.548 5.452 432 3HG2 THR 59 HG23 THR 59 10.483 -8.808 5.529 433 H LEU 60 HN LEU 60 6.401 -8.510 4.578 434 HA LEU 60 HA LEU 60 7.175 -6.857 6.635 435 1HB LEU 60 HB2 LEU 60 4.520 -7.542 5.461 436 2HB LEU 60 HB1 LEU 60 4.568 -6.560 6.913 437 HG LEU 60 HG LEU 60 5.628 -5.900 4.180 438 1HD1 LEU 60 HD11 LEU 60 4.356 -3.719 5.284 439 2HD1 LEU 60 HD12 LEU 60 3.400 -5.087 5.852 440 3HD1 LEU 60 HD13 LEU 60 3.666 -4.852 4.127 441 1HD2 LEU 60 HD21 LEU 60 6.315 -3.733 5.608 442 2HD2 LEU 60 HD22 LEU 60 7.431 -5.049 5.239 443 3HD2 LEU 60 HD23 LEU 60 6.620 -4.990 6.805 444 HA PRO 61 HA PRO 61 6.854 -8.681 10.598 445 1HB PRO 61 HB2 PRO 61 4.786 -6.611 11.213 446 2HB PRO 61 HB1 PRO 61 6.229 -7.069 12.129 447 1HG PRO 61 HG2 PRO 61 6.206 -4.847 10.667 448 2HG PRO 61 HG1 PRO 61 7.651 -5.870 10.739 449 1HD PRO 61 HD2 PRO 61 5.664 -5.549 8.546 450 2HD PRO 61 HD1 PRO 61 7.404 -5.884 8.455 451 H GLU 62 HN GLU 62 5.079 -9.272 12.316 452 HA GLU 62 HA GLU 62 3.325 -11.128 11.078 453 1HB GLU 62 HB2 GLU 62 2.715 -11.790 13.275 454 2HB GLU 62 HB1 GLU 62 4.427 -11.397 13.327 455 1HG GLU 62 HG2 GLU 62 3.416 -9.018 14.010 456 2HG GLU 62 HG1 GLU 62 2.131 -10.063 14.611 457 H ASN 63 HN ASN 63 1.069 -11.087 12.549 458 HA ASN 63 HA ASN 63 -0.738 -9.811 11.144 459 1HB ASN 63 HB2 ASN 63 -0.683 -10.666 13.977 460 2HB ASN 63 HB1 ASN 63 -2.026 -9.638 13.480 461 1HD2 ASN 63 HD21 ASN 63 -0.239 -12.486 12.349 462 2HD2 ASN 63 HD22 ASN 63 -1.629 -13.362 11.819 463 H THR 64 HN THR 64 0.529 -7.794 10.650 464 HA THR 64 HA THR 64 -0.294 -5.642 12.492 465 HB THR 64 HB THR 64 1.708 -4.374 11.646 466 HG1 THR 64 HG1 THR 64 2.150 -6.846 10.426 467 1HG2 THR 64 HG21 THR 64 3.045 -5.084 13.322 468 2HG2 THR 64 HG22 THR 64 2.837 -6.788 12.918 469 3HG2 THR 64 HG23 THR 64 1.571 -5.928 13.794 470 H THR 65 HN THR 65 -1.149 -3.794 11.580 471 HA THR 65 HA THR 65 -2.072 -4.103 8.854 472 HB THR 65 HB THR 65 -3.760 -3.446 10.244 473 HG1 THR 65 HG1 THR 65 -4.218 -1.253 9.624 474 1HG2 THR 65 HG21 THR 65 -1.775 -1.706 11.573 475 2HG2 THR 65 HG22 THR 65 -2.998 -2.764 12.271 476 3HG2 THR 65 HG23 THR 65 -3.465 -1.206 11.590 477 H LYS 66 HN LYS 66 0.072 -3.867 8.038 478 HA LYS 66 HA LYS 66 1.479 -1.423 8.138 479 1HB LYS 66 HB2 LYS 66 1.855 -4.006 7.058 480 2HB LYS 66 HB1 LYS 66 2.011 -2.869 5.729 481 1HG LYS 66 HG2 LYS 66 3.436 -2.303 8.275 482 2HG LYS 66 HG1 LYS 66 4.080 -3.533 7.188 483 1HD LYS 66 HD2 LYS 66 3.847 -1.771 5.360 484 2HD LYS 66 HD1 LYS 66 3.655 -0.611 6.665 485 1HE LYS 66 HE2 LYS 66 5.822 -0.723 7.286 486 2HE LYS 66 HE1 LYS 66 5.936 -2.446 6.942 487 1HZ LYS 66 HZ1 LYS 66 6.028 -1.891 4.567 488 2HZ LYS 66 HZ2 LYS 66 7.318 -1.221 5.429 489 3HZ LYS 66 HZ3 LYS 66 6.024 -0.243 4.954 490 H THR 67 HN THR 67 0.790 0.420 7.317 491 HA THR 67 HA THR 67 -1.181 0.386 5.176 492 HB THR 67 HB THR 67 -0.470 2.194 7.366 493 HG1 THR 67 HG1 THR 67 -2.480 1.643 7.559 494 1HG2 THR 67 HG21 THR 67 -0.947 3.328 4.650 495 2HG2 THR 67 HG22 THR 67 0.149 3.868 5.918 496 3HG2 THR 67 HG23 THR 67 -1.582 4.140 6.081 497 H LEU 68 HN LEU 68 -0.981 1.550 3.248 498 HA LEU 68 HA LEU 68 1.770 2.269 2.509 499 1HB LEU 68 HB2 LEU 68 1.406 0.418 1.208 500 2HB LEU 68 HB1 LEU 68 -0.319 0.654 1.160 501 HG LEU 68 HG LEU 68 1.040 2.744 -0.306 502 1HD1 LEU 68 HD11 LEU 68 1.393 0.675 -2.102 503 2HD1 LEU 68 HD12 LEU 68 2.061 0.043 -0.598 504 3HD1 LEU 68 HD13 LEU 68 2.667 1.559 -1.266 505 1HD2 LEU 68 HD21 LEU 68 -0.447 1.515 -2.110 506 2HD2 LEU 68 HD22 LEU 68 -1.162 2.527 -0.856 507 3HD2 LEU 68 HD23 LEU 68 -1.148 0.773 -0.673 508 H THR 69 HN THR 69 1.330 4.464 3.164 509 HA THR 69 HA THR 69 -0.722 5.897 1.685 510 HB THR 69 HB THR 69 1.132 7.275 3.567 511 HG1 THR 69 HG1 THR 69 -0.748 5.318 4.257 512 1HG2 THR 69 HG21 THR 69 -0.376 8.833 3.004 513 2HG2 THR 69 HG22 THR 69 -1.314 8.057 4.280 514 3HG2 THR 69 HG23 THR 69 -1.615 7.646 2.591 515 H PHE 70 HN PHE 70 -0.302 6.827 -0.152 516 HA PHE 70 HA PHE 70 2.395 7.151 -1.085 517 1HB PHE 70 HB2 PHE 70 -0.186 8.083 -2.353 518 2HB PHE 70 HB1 PHE 70 1.359 7.898 -3.146 519 HD1 PHE 70 HD1 PHE 70 -1.374 6.030 -1.512 520 HD2 PHE 70 HD2 PHE 70 2.008 5.852 -4.081 521 HE1 PHE 70 HE1 PHE 70 -1.974 3.729 -2.144 522 HE2 PHE 70 HE2 PHE 70 1.416 3.551 -4.713 523 HZ PHE 70 HZ PHE 70 -0.577 2.489 -3.747 524 H ASP 71 HN ASP 71 3.604 8.834 -0.525 525 HA ASP 71 HA ASP 71 2.504 11.184 0.638 526 1HB ASP 71 HB2 ASP 71 4.731 10.480 1.219 527 2HB ASP 71 HB1 ASP 71 5.255 10.633 -0.446 528 H PHE 72 HN PHE 72 1.021 11.839 -0.825 529 HA PHE 72 HA PHE 72 1.885 12.815 -3.426 530 1HB PHE 72 HB2 PHE 72 -0.617 11.913 -2.271 531 2HB PHE 72 HB1 PHE 72 -0.811 13.455 -3.092 532 HD1 PHE 72 HD1 PHE 72 -1.756 13.143 -5.149 533 HD2 PHE 72 HD2 PHE 72 1.213 10.410 -3.823 534 HE1 PHE 72 HE1 PHE 72 -1.865 11.984 -7.316 535 HE2 PHE 72 HE2 PHE 72 1.111 9.244 -5.986 536 HZ PHE 72 HZ PHE 72 -0.423 10.031 -7.735 537 H GLY 73 HN GLY 73 2.568 14.068 -0.760 538 1HA GLY 73 HA2 GLY 73 2.861 16.188 0.061 539 2HA GLY 73 HA1 GLY 73 2.508 16.753 -1.560 540 H VAL 74 HN VAL 74 -0.036 14.904 -0.362 541 HA VAL 74 HA VAL 74 -1.547 17.350 0.217 542 HB VAL 74 HB VAL 74 -3.555 16.093 -0.228 543 1HG1 VAL 74 HG11 VAL 74 -2.036 15.104 -2.520 544 2HG1 VAL 74 HG12 VAL 74 -1.687 16.781 -2.101 545 3HG1 VAL 74 HG13 VAL 74 -3.342 16.285 -2.450 546 1HG2 VAL 74 HG21 VAL 74 -3.458 13.736 -0.960 547 2HG2 VAL 74 HG22 VAL 74 -2.937 13.954 0.706 548 3HG2 VAL 74 HG23 VAL 74 -1.739 13.707 -0.558 549 H GLY 75 HN GLY 75 -0.722 14.181 1.513 550 1HA GLY 75 HA2 GLY 75 -0.806 13.358 3.652 551 2HA GLY 75 HA1 GLY 75 -0.916 15.018 4.191 552 H THR 76 HN THR 76 -3.064 16.006 4.083 553 HA THR 76 HA THR 76 -4.923 14.721 5.610 554 HB THR 76 HB THR 76 -5.467 16.829 3.515 555 HG1 THR 76 HG1 THR 76 -4.795 17.027 6.261 556 1HG2 THR 76 HG21 THR 76 -7.579 16.863 4.139 557 2HG2 THR 76 HG22 THR 76 -7.091 17.125 5.814 558 3HG2 THR 76 HG23 THR 76 -7.291 15.486 5.200 559 H LYS 77 HN LYS 77 -5.381 15.262 2.118 560 HA LYS 77 HA LYS 77 -7.302 13.103 2.049 561 1HB LYS 77 HB2 LYS 77 -7.659 13.844 -0.306 562 2HB LYS 77 HB1 LYS 77 -7.964 15.089 0.890 563 1HG LYS 77 HG2 LYS 77 -5.225 15.185 0.036 564 2HG LYS 77 HG1 LYS 77 -6.313 15.252 -1.350 565 1HD LYS 77 HD2 LYS 77 -6.836 17.365 -0.888 566 2HD LYS 77 HD1 LYS 77 -7.325 16.922 0.743 567 1HE LYS 77 HE2 LYS 77 -4.841 16.954 1.313 568 2HE LYS 77 HE1 LYS 77 -4.609 17.761 -0.231 569 1HZ LYS 77 HZ1 LYS 77 -5.579 18.820 2.232 570 2HZ LYS 77 HZ2 LYS 77 -6.637 19.148 0.956 571 3HZ LYS 77 HZ3 LYS 77 -5.020 19.634 0.858 572 H ASN 78 HN ASN 78 -4.204 12.923 2.198 573 HA ASN 78 HA ASN 78 -3.381 11.636 -0.183 574 1HB ASN 78 HB2 ASN 78 -1.702 12.576 1.236 575 2HB ASN 78 HB1 ASN 78 -2.246 11.621 2.611 576 1HD2 ASN 78 HD21 ASN 78 0.272 11.402 2.272 577 2HD2 ASN 78 HD22 ASN 78 0.739 9.947 1.464 578 HA PRO 79 HA PRO 79 -5.715 7.850 0.453 579 1HB PRO 79 HB2 PRO 79 -4.307 6.504 -1.544 580 2HB PRO 79 HB1 PRO 79 -5.813 7.396 -1.766 581 1HG PRO 79 HG2 PRO 79 -3.007 8.221 -2.325 582 2HG PRO 79 HG1 PRO 79 -4.496 8.652 -3.180 583 1HD PRO 79 HD2 PRO 79 -3.240 10.372 -1.538 584 2HD PRO 79 HD1 PRO 79 -5.007 10.343 -1.701 585 H LYS 80 HN LYS 80 -4.928 7.175 2.432 586 HA LYS 80 HA LYS 80 -2.297 5.898 2.524 587 1HB LYS 80 HB2 LYS 80 -3.868 5.862 4.992 588 2HB LYS 80 HB1 LYS 80 -2.232 6.432 4.713 589 1HG LYS 80 HG2 LYS 80 -3.135 8.541 3.832 590 2HG LYS 80 HG1 LYS 80 -4.767 7.966 4.172 591 1HD LYS 80 HD2 LYS 80 -4.576 8.354 6.384 592 2HD LYS 80 HD1 LYS 80 -2.895 7.818 6.433 593 1HE LYS 80 HE2 LYS 80 -2.085 9.896 6.109 594 2HE LYS 80 HE1 LYS 80 -3.373 10.335 4.988 595 1HZ LYS 80 HZ1 LYS 80 -3.128 11.207 7.548 596 2HZ LYS 80 HZ2 LYS 80 -4.302 9.997 7.680 597 3HZ LYS 80 HZ3 LYS 80 -4.536 11.288 6.612 598 H LEU 81 HN LEU 81 -2.395 3.851 1.746 599 HA LEU 81 HA LEU 81 -4.701 2.212 1.989 600 1HB LEU 81 HB2 LEU 81 -1.943 1.900 0.937 601 2HB LEU 81 HB1 LEU 81 -2.808 0.432 1.356 602 HG LEU 81 HG LEU 81 -2.974 1.099 -1.044 603 1HD1 LEU 81 HD11 LEU 81 -5.563 0.937 -1.032 604 2HD1 LEU 81 HD12 LEU 81 -5.364 0.719 0.701 605 3HD1 LEU 81 HD13 LEU 81 -4.603 -0.403 -0.418 606 1HD2 LEU 81 HD21 LEU 81 -4.361 2.946 -1.684 607 2HD2 LEU 81 HD22 LEU 81 -3.109 3.544 -0.596 608 3HD2 LEU 81 HD23 LEU 81 -4.750 3.299 -0.005 609 H THR 82 HN THR 82 -4.988 0.335 3.243 610 HA THR 82 HA THR 82 -3.169 0.148 5.552 611 HB THR 82 HB THR 82 -6.047 -0.617 5.825 612 HG1 THR 82 HG1 THR 82 -5.173 2.037 6.207 613 1HG2 THR 82 HG21 THR 82 -3.819 -0.055 7.594 614 2HG2 THR 82 HG22 THR 82 -5.315 -0.938 7.894 615 3HG2 THR 82 HG23 THR 82 -5.288 0.814 8.033 616 H ILE 83 HN ILE 83 -1.980 -1.565 4.860 617 HA ILE 83 HA ILE 83 -3.367 -3.985 3.986 618 HB ILE 83 HB ILE 83 -0.397 -3.463 4.058 619 1HG1 ILE 83 HG12 ILE 83 -2.413 -2.412 2.316 620 2HG1 ILE 83 HG11 ILE 83 -0.675 -2.156 2.262 621 1HG2 ILE 83 HG21 ILE 83 -0.376 -5.351 2.408 622 2HG2 ILE 83 HG22 ILE 83 -2.070 -5.630 2.809 623 3HG2 ILE 83 HG23 ILE 83 -0.831 -5.799 4.050 624 1HD1 ILE 83 HD11 ILE 83 -0.370 -3.993 0.795 625 2HD1 ILE 83 HD12 ILE 83 -1.707 -3.035 0.162 626 3HD1 ILE 83 HD13 ILE 83 -2.032 -4.536 1.029 627 H THR 84 HN THR 84 -3.843 -5.504 5.397 628 HA THR 84 HA THR 84 -2.449 -5.608 7.957 629 HB THR 84 HB THR 84 -4.715 -7.424 7.260 630 HG1 THR 84 HG1 THR 84 -6.118 -5.673 7.956 631 1HG2 THR 84 HG21 THR 84 -4.051 -7.803 9.435 632 2HG2 THR 84 HG22 THR 84 -5.374 -6.655 9.631 633 3HG2 THR 84 HG23 THR 84 -3.704 -6.100 9.736 634 H VAL 85 HN VAL 85 -0.605 -6.729 7.864 635 HA VAL 85 HA VAL 85 -0.465 -9.153 6.238 636 HB VAL 85 HB VAL 85 1.985 -8.771 7.577 637 1HG1 VAL 85 HG11 VAL 85 2.709 -9.215 5.527 638 2HG1 VAL 85 HG12 VAL 85 1.973 -7.750 4.882 639 3HG1 VAL 85 HG13 VAL 85 1.026 -9.231 5.007 640 1HG2 VAL 85 HG21 VAL 85 0.909 -6.194 6.440 641 2HG2 VAL 85 HG22 VAL 85 2.592 -6.487 6.869 642 3HG2 VAL 85 HG23 VAL 85 1.351 -6.501 8.118 643 H LEU 86 HN LEU 86 -1.259 -10.898 7.233 644 HA LEU 86 HA LEU 86 -0.351 -11.417 9.983 645 1HB LEU 86 HB2 LEU 86 -2.503 -12.716 10.251 646 2HB LEU 86 HB1 LEU 86 -2.650 -10.970 10.195 647 HG LEU 86 HG LEU 86 -3.000 -11.628 7.566 648 1HD1 LEU 86 HD11 LEU 86 -3.664 -13.723 7.289 649 2HD1 LEU 86 HD12 LEU 86 -4.921 -13.515 8.508 650 3HD1 LEU 86 HD13 LEU 86 -3.307 -14.042 8.986 651 1HD2 LEU 86 HD21 LEU 86 -4.704 -10.295 8.055 652 2HD2 LEU 86 HD22 LEU 86 -4.563 -10.671 9.773 653 3HD2 LEU 86 HD23 LEU 86 -5.550 -11.690 8.726 654 HA PRO 87 HA PRO 87 1.101 -14.924 7.392 655 1HB PRO 87 HB2 PRO 87 3.504 -15.186 8.600 656 2HB PRO 87 HB1 PRO 87 3.214 -14.034 7.299 657 1HG PRO 87 HG2 PRO 87 3.370 -13.566 10.234 658 2HG PRO 87 HG1 PRO 87 3.955 -12.553 8.905 659 1HD PRO 87 HD2 PRO 87 1.626 -12.098 10.292 660 2HD PRO 87 HD1 PRO 87 1.932 -11.531 8.641 661 H LYS 88 HN LYS 88 1.052 -14.338 10.757 662 HA LYS 88 HA LYS 88 1.638 -16.716 11.926 663 1HB LYS 88 HB2 LYS 88 -0.652 -14.954 12.769 664 2HB LYS 88 HB1 LYS 88 0.346 -15.970 13.774 665 1HG LYS 88 HG2 LYS 88 1.374 -13.569 12.290 666 2HG LYS 88 HG1 LYS 88 0.836 -13.551 13.968 667 1HD LYS 88 HD2 LYS 88 3.055 -13.899 14.321 668 2HD LYS 88 HD1 LYS 88 2.545 -15.577 14.136 669 1HE LYS 88 HE2 LYS 88 4.133 -15.709 12.567 670 2HE LYS 88 HE1 LYS 88 3.013 -14.807 11.550 671 1HZ LYS 88 HZ1 LYS 88 4.160 -12.865 11.848 672 2HZ LYS 88 HZ2 LYS 88 5.436 -13.972 11.898 673 3HZ LYS 88 HZ3 LYS 88 4.817 -13.332 13.335 674 H ASP 89 HN ASP 89 0.586 -18.623 12.324 675 HA ASP 89 HA ASP 89 -1.420 -19.429 10.502 676 1HB ASP 89 HB2 ASP 89 -1.288 -21.304 12.605 677 2HB ASP 89 HB1 ASP 89 -0.537 -21.407 11.021 678 H ILE 90 HN ILE 90 -3.110 -21.043 11.960 679 HA ILE 90 HA ILE 90 -4.499 -19.265 13.830 680 HB ILE 90 HB ILE 90 -5.864 -20.615 11.498 681 1HG1 ILE 90 HG12 ILE 90 -4.504 -18.600 10.905 682 2HG1 ILE 90 HG11 ILE 90 -6.228 -18.401 10.607 683 1HG2 ILE 90 HG21 ILE 90 -7.172 -20.482 13.621 684 2HG2 ILE 90 HG22 ILE 90 -7.888 -19.610 12.268 685 3HG2 ILE 90 HG23 ILE 90 -7.034 -18.726 13.532 686 1HD1 ILE 90 HD11 ILE 90 -4.950 -16.468 11.681 687 2HD1 ILE 90 HD12 ILE 90 -4.975 -17.446 13.149 688 3HD1 ILE 90 HD13 ILE 90 -6.490 -16.942 12.398 689 HA PRO 91 HA PRO 91 -4.885 -23.066 16.078 690 1HB PRO 91 HB2 PRO 91 -6.774 -22.292 17.867 691 2HB PRO 91 HB1 PRO 91 -5.090 -21.769 17.963 692 1HG PRO 91 HG2 PRO 91 -7.463 -20.315 16.860 693 2HG PRO 91 HG1 PRO 91 -6.153 -19.701 17.889 694 1HD PRO 91 HD2 PRO 91 -6.222 -19.289 15.212 695 2HD PRO 91 HD1 PRO 91 -4.702 -19.468 16.113 696 H GLY 92 HN GLY 92 -5.996 -24.876 15.679 697 1HA GLY 92 HA2 GLY 92 -8.748 -25.200 15.686 698 2HA GLY 92 HA1 GLY 92 -8.309 -24.851 14.020 699 H LEU 93 HN LEU 93 -5.705 -26.183 14.261 700 HA LEU 93 HA LEU 93 -6.239 -28.930 14.922 701 1HB LEU 93 HB2 LEU 93 -5.558 -29.517 12.429 702 2HB LEU 93 HB1 LEU 93 -7.229 -29.306 12.913 703 HG LEU 93 HG LEU 93 -7.001 -26.887 12.145 704 1HD1 LEU 93 HD11 LEU 93 -4.483 -28.042 10.966 705 2HD1 LEU 93 HD12 LEU 93 -4.630 -26.663 12.054 706 3HD1 LEU 93 HD13 LEU 93 -5.242 -26.552 10.404 707 1HD2 LEU 93 HD21 LEU 93 -6.669 -28.195 9.645 708 2HD2 LEU 93 HD22 LEU 93 -8.160 -27.667 10.425 709 3HD2 LEU 93 HD23 LEU 93 -7.531 -29.285 10.732 710 H GLU 94 HN GLU 94 -4.399 -28.663 16.215 711 HA GLU 94 HA GLU 94 -1.896 -27.800 15.144 712 1HB GLU 94 HB2 GLU 94 -2.885 -28.047 17.662 713 2HB GLU 94 HB1 GLU 94 -1.869 -29.481 17.572 714 1HG GLU 94 HG2 GLU 94 -0.007 -28.293 17.758 715 2HG GLU 94 HG1 GLU 94 -0.530 -27.119 16.553 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -6.263 20.294 -1.293 2 2H MET 1 HT2 MET 1 -5.860 21.640 -0.309 3 3H MET 1 HT3 MET 1 -4.626 20.588 -0.873 4 HA MET 1 HA MET 1 -6.241 22.515 -2.379 5 1HB MET 1 HB2 MET 1 -4.108 23.459 -2.916 6 2HB MET 1 HB1 MET 1 -4.136 23.185 -1.180 7 1HG MET 1 HG2 MET 1 -2.311 21.953 -1.312 8 2HG MET 1 HG1 MET 1 -3.092 20.864 -2.455 9 1HE MET 1 HE1 MET 1 0.208 22.789 -2.248 10 2HE MET 1 HE2 MET 1 0.544 21.888 -3.727 11 3HE MET 1 HE3 MET 1 -0.240 21.088 -2.368 12 H GLN 2 HN GLN 2 -4.635 19.449 -2.487 13 HA GLN 2 HA GLN 2 -4.803 19.410 -5.421 14 1HB GLN 2 HB2 GLN 2 -3.488 17.218 -3.873 15 2HB GLN 2 HB1 GLN 2 -3.099 17.850 -5.466 16 1HG GLN 2 HG2 GLN 2 -2.345 19.964 -4.255 17 2HG GLN 2 HG1 GLN 2 -2.408 18.991 -2.783 18 1HE2 GLN 2 HE21 GLN 2 -1.326 18.347 -6.102 19 2HE2 GLN 2 HE22 GLN 2 0.252 17.810 -5.664 20 H ASP 3 HN ASP 3 -5.480 17.317 -6.401 21 HA ASP 3 HA ASP 3 -7.465 15.901 -4.774 22 1HB ASP 3 HB2 ASP 3 -8.775 17.427 -6.018 23 2HB ASP 3 HB1 ASP 3 -7.867 17.091 -7.478 24 HA PRO 4 HA PRO 4 -4.823 12.927 -7.152 25 1HB PRO 4 HB2 PRO 4 -3.656 11.665 -5.108 26 2HB PRO 4 HB1 PRO 4 -3.058 13.229 -5.678 27 1HG PRO 4 HG2 PRO 4 -4.761 12.600 -3.302 28 2HG PRO 4 HG1 PRO 4 -3.423 13.753 -3.449 29 1HD PRO 4 HD2 PRO 4 -6.108 14.415 -3.587 30 2HD PRO 4 HD1 PRO 4 -4.787 15.397 -4.247 31 H THR 5 HN THR 5 -5.123 10.650 -7.392 32 HA THR 5 HA THR 5 -7.264 9.525 -5.726 33 HB THR 5 HB THR 5 -7.297 9.996 -8.623 34 HG1 THR 5 HG1 THR 5 -9.410 9.245 -6.914 35 1HG2 THR 5 HG21 THR 5 -8.377 7.378 -7.613 36 2HG2 THR 5 HG22 THR 5 -6.959 7.552 -8.645 37 3HG2 THR 5 HG23 THR 5 -8.545 8.043 -9.237 38 H ILE 6 HN ILE 6 -7.313 7.248 -5.545 39 HA ILE 6 HA ILE 6 -5.056 5.734 -6.600 40 HB ILE 6 HB ILE 6 -4.281 6.692 -4.442 41 1HG1 ILE 6 HG12 ILE 6 -4.682 3.695 -4.351 42 2HG1 ILE 6 HG11 ILE 6 -3.430 4.509 -5.283 43 1HG2 ILE 6 HG21 ILE 6 -5.261 5.927 -2.354 44 2HG2 ILE 6 HG22 ILE 6 -6.466 4.993 -3.241 45 3HG2 ILE 6 HG23 ILE 6 -6.475 6.754 -3.333 46 1HD1 ILE 6 HD11 ILE 6 -3.727 4.410 -2.295 47 2HD1 ILE 6 HD12 ILE 6 -2.570 5.443 -3.136 48 3HD1 ILE 6 HD13 ILE 6 -2.454 3.691 -3.282 49 H ASN 7 HN ASN 7 -5.260 3.413 -6.102 50 HA ASN 7 HA ASN 7 -7.774 2.439 -6.715 51 1HB ASN 7 HB2 ASN 7 -6.715 0.198 -5.812 52 2HB ASN 7 HB1 ASN 7 -6.204 0.918 -7.324 53 1HD2 ASN 7 HD21 ASN 7 -4.334 2.494 -7.108 54 2HD2 ASN 7 HD22 ASN 7 -3.063 2.034 -6.039 55 HA PRO 8 HA PRO 8 -9.400 1.745 -2.734 56 1HB PRO 8 HB2 PRO 8 -8.802 -0.361 -1.355 57 2HB PRO 8 HB1 PRO 8 -9.228 -0.569 -3.040 58 1HG PRO 8 HG2 PRO 8 -6.551 -0.674 -1.730 59 2HG PRO 8 HG1 PRO 8 -7.161 -1.596 -3.118 60 1HD PRO 8 HD2 PRO 8 -5.633 0.820 -3.166 61 2HD PRO 8 HD1 PRO 8 -6.327 -0.058 -4.534 62 H THR 9 HN THR 9 -9.033 1.033 -0.095 63 HA THR 9 HA THR 9 -6.769 2.581 0.899 64 HB THR 9 HB THR 9 -9.574 3.085 1.889 65 HG1 THR 9 HG1 THR 9 -8.029 4.560 0.028 66 1HG2 THR 9 HG21 THR 9 -8.711 4.468 3.387 67 2HG2 THR 9 HG22 THR 9 -7.626 5.201 2.204 68 3HG2 THR 9 HG23 THR 9 -7.151 3.721 3.040 69 H SER 10 HN SER 10 -8.369 -0.242 0.981 70 HA SER 10 HA SER 10 -7.276 -0.904 3.573 71 1HB SER 10 HB2 SER 10 -10.198 -1.486 3.123 72 2HB SER 10 HB1 SER 10 -9.276 -1.605 4.622 73 HG SER 10 HG SER 10 -10.715 0.374 3.987 74 H ILE 11 HN ILE 11 -6.587 -2.935 3.682 75 HA ILE 11 HA ILE 11 -7.701 -5.043 2.053 76 HB ILE 11 HB ILE 11 -6.185 -4.212 0.414 77 1HG1 ILE 11 HG12 ILE 11 -4.376 -6.030 0.403 78 2HG1 ILE 11 HG11 ILE 11 -5.090 -6.589 1.906 79 1HG2 ILE 11 HG21 ILE 11 -4.798 -3.146 2.510 80 2HG2 ILE 11 HG22 ILE 11 -4.264 -3.155 0.829 81 3HG2 ILE 11 HG23 ILE 11 -3.705 -4.406 1.937 82 1HD1 ILE 11 HD11 ILE 11 -5.978 -6.953 -0.823 83 2HD1 ILE 11 HD12 ILE 11 -7.257 -6.354 0.228 84 3HD1 ILE 11 HD13 ILE 11 -6.405 -7.845 0.631 85 H SER 12 HN SER 12 -7.184 -7.099 2.857 86 HA SER 12 HA SER 12 -5.301 -7.243 5.083 87 1HB SER 12 HB2 SER 12 -7.591 -8.764 5.839 88 2HB SER 12 HB1 SER 12 -6.850 -7.405 6.677 89 HG SER 12 HG SER 12 -8.317 -6.088 5.878 90 H ALA 13 HN ALA 13 -4.236 -9.101 5.214 91 HA ALA 13 HA ALA 13 -5.185 -11.601 4.328 92 1HB ALA 13 HB1 ALA 13 -2.922 -10.872 2.591 93 2HB ALA 13 HB2 ALA 13 -4.460 -10.098 2.205 94 3HB ALA 13 HB3 ALA 13 -4.346 -11.857 2.251 95 H LYS 14 HN LYS 14 -3.450 -13.258 4.426 96 HA LYS 14 HA LYS 14 -1.828 -12.853 6.737 97 1HB LYS 14 HB2 LYS 14 -2.422 -15.061 6.641 98 2HB LYS 14 HB1 LYS 14 -2.419 -15.100 4.887 99 1HG LYS 14 HG2 LYS 14 -0.694 -16.537 5.640 100 2HG LYS 14 HG1 LYS 14 0.076 -15.099 4.971 101 1HD LYS 14 HD2 LYS 14 0.279 -14.201 7.276 102 2HD LYS 14 HD1 LYS 14 -0.368 -15.724 7.887 103 1HE LYS 14 HE2 LYS 14 2.142 -15.427 6.251 104 2HE LYS 14 HE1 LYS 14 2.083 -15.648 7.997 105 1HZ LYS 14 HZ1 LYS 14 1.801 -17.828 7.758 106 2HZ LYS 14 HZ2 LYS 14 2.215 -17.629 6.131 107 3HZ LYS 14 HZ3 LYS 14 0.589 -17.643 6.590 108 H ALA 15 HN ALA 15 0.320 -12.326 6.862 109 HA ALA 15 HA ALA 15 1.515 -11.009 4.751 110 1HB ALA 15 HB1 ALA 15 3.158 -12.362 6.875 111 2HB ALA 15 HB2 ALA 15 2.170 -10.945 7.227 112 3HB ALA 15 HB3 ALA 15 3.473 -10.837 6.043 113 H GLY 16 HN GLY 16 1.712 -11.856 2.890 114 1HA GLY 16 HA2 GLY 16 3.576 -13.153 1.708 115 2HA GLY 16 HA1 GLY 16 2.913 -14.519 2.598 116 H SER 17 HN SER 17 0.176 -13.723 2.436 117 HA SER 17 HA SER 17 -0.472 -14.810 -0.102 118 1HB SER 17 HB2 SER 17 -2.736 -13.584 1.020 119 2HB SER 17 HB1 SER 17 -2.296 -15.282 1.097 120 HG SER 17 HG SER 17 -2.600 -14.399 3.168 121 H PHE 18 HN PHE 18 0.862 -12.015 0.417 122 HA PHE 18 HA PHE 18 -0.934 -10.339 -1.116 123 1HB PHE 18 HB2 PHE 18 1.569 -9.861 0.450 124 2HB PHE 18 HB1 PHE 18 0.840 -8.634 -0.545 125 HD1 PHE 18 HD1 PHE 18 0.922 -10.104 2.644 126 HD2 PHE 18 HD2 PHE 18 -1.643 -8.073 -0.067 127 HE1 PHE 18 HE1 PHE 18 -0.560 -9.502 4.507 128 HE2 PHE 18 HE2 PHE 18 -3.134 -7.465 1.789 129 HZ PHE 18 HZ PHE 18 -2.589 -8.182 4.081 130 H ALA 19 HN ALA 19 -0.569 -11.646 -3.043 131 HA ALA 19 HA ALA 19 1.998 -11.829 -4.238 132 1HB ALA 19 HB1 ALA 19 -0.353 -11.834 -6.018 133 2HB ALA 19 HB2 ALA 19 -0.347 -13.040 -4.731 134 3HB ALA 19 HB3 ALA 19 0.972 -12.984 -5.894 135 H ASP 20 HN ASP 20 2.641 -10.740 -6.267 136 HA ASP 20 HA ASP 20 2.996 -8.103 -6.153 137 1HB ASP 20 HB2 ASP 20 3.954 -9.406 -7.956 138 2HB ASP 20 HB1 ASP 20 2.364 -9.653 -8.669 139 H THR 21 HN THR 21 1.668 -6.449 -5.751 140 HA THR 21 HA THR 21 -1.012 -6.536 -6.997 141 HB THR 21 HB THR 21 -0.359 -4.946 -4.532 142 HG1 THR 21 HG1 THR 21 -1.260 -6.802 -3.401 143 1HG2 THR 21 HG21 THR 21 -2.823 -5.801 -5.920 144 2HG2 THR 21 HG22 THR 21 -2.459 -4.301 -5.064 145 3HG2 THR 21 HG23 THR 21 -2.847 -5.765 -4.155 146 H LYS 22 HN LYS 22 -1.076 -5.196 -8.690 147 HA LYS 22 HA LYS 22 0.663 -2.999 -8.993 148 1HB LYS 22 HB2 LYS 22 -1.528 -2.621 -10.724 149 2HB LYS 22 HB1 LYS 22 0.052 -3.261 -11.120 150 1HG LYS 22 HG2 LYS 22 -0.730 -5.522 -10.635 151 2HG LYS 22 HG1 LYS 22 -2.321 -4.876 -10.226 152 1HD LYS 22 HD2 LYS 22 -2.861 -4.458 -12.403 153 2HD LYS 22 HD1 LYS 22 -1.186 -4.165 -12.874 154 1HE LYS 22 HE2 LYS 22 -2.542 -6.812 -12.408 155 2HE LYS 22 HE1 LYS 22 -1.865 -6.194 -13.915 156 1HZ LYS 22 HZ1 LYS 22 -0.518 -7.395 -11.626 157 2HZ LYS 22 HZ2 LYS 22 0.286 -6.125 -12.397 158 3HZ LYS 22 HZ3 LYS 22 -0.154 -7.498 -13.276 159 H ILE 23 HN ILE 23 -0.204 -0.818 -9.515 160 HA ILE 23 HA ILE 23 -2.535 0.035 -8.058 161 HB ILE 23 HB ILE 23 0.163 0.348 -6.997 162 1HG1 ILE 23 HG12 ILE 23 -2.623 0.068 -6.018 163 2HG1 ILE 23 HG11 ILE 23 -1.195 -0.866 -5.604 164 1HG2 ILE 23 HG21 ILE 23 -1.727 2.675 -7.113 165 2HG2 ILE 23 HG22 ILE 23 -0.033 2.621 -7.595 166 3HG2 ILE 23 HG23 ILE 23 -0.465 2.539 -5.890 167 1HD1 ILE 23 HD11 ILE 23 -1.704 1.942 -4.672 168 2HD1 ILE 23 HD12 ILE 23 -0.399 0.869 -4.165 169 3HD1 ILE 23 HD13 ILE 23 -2.069 0.490 -3.740 170 H THR 24 HN THR 24 -3.177 2.174 -8.531 171 HA THR 24 HA THR 24 -1.682 3.466 -10.714 172 HB THR 24 HB THR 24 -4.695 3.394 -10.480 173 HG1 THR 24 HG1 THR 24 -4.079 1.341 -10.994 174 1HG2 THR 24 HG21 THR 24 -2.805 4.507 -12.494 175 2HG2 THR 24 HG22 THR 24 -4.282 5.202 -11.825 176 3HG2 THR 24 HG23 THR 24 -4.378 3.898 -13.008 177 H LEU 25 HN LEU 25 -0.746 5.091 -9.562 178 HA LEU 25 HA LEU 25 -2.238 6.616 -7.617 179 1HB LEU 25 HB2 LEU 25 0.525 6.271 -8.455 180 2HB LEU 25 HB1 LEU 25 0.122 7.936 -8.117 181 HG LEU 25 HG LEU 25 -0.258 5.631 -6.211 182 1HD1 LEU 25 HD11 LEU 25 2.007 7.351 -6.790 183 2HD1 LEU 25 HD12 LEU 25 1.920 5.867 -5.840 184 3HD1 LEU 25 HD13 LEU 25 1.517 7.415 -5.097 185 1HD2 LEU 25 HD21 LEU 25 -0.344 7.944 -4.755 186 2HD2 LEU 25 HD22 LEU 25 -1.748 7.014 -5.277 187 3HD2 LEU 25 HD23 LEU 25 -1.203 8.396 -6.228 188 H THR 26 HN THR 26 -3.829 7.790 -8.577 189 HA THR 26 HA THR 26 -3.546 9.140 -11.057 190 HB THR 26 HB THR 26 -5.552 9.421 -8.824 191 HG1 THR 26 HG1 THR 26 -5.819 8.261 -11.393 192 1HG2 THR 26 HG21 THR 26 -5.479 10.761 -11.501 193 2HG2 THR 26 HG22 THR 26 -5.769 11.471 -9.915 194 3HG2 THR 26 HG23 THR 26 -6.993 10.441 -10.654 195 HA PRO 27 HA PRO 27 -1.411 12.666 -9.202 196 1HB PRO 27 HB2 PRO 27 0.123 13.214 -11.236 197 2HB PRO 27 HB1 PRO 27 0.299 11.642 -10.445 198 1HG PRO 27 HG2 PRO 27 -1.190 12.312 -12.957 199 2HG PRO 27 HG1 PRO 27 -0.034 11.006 -12.678 200 1HD PRO 27 HD2 PRO 27 -2.778 10.735 -12.490 201 2HD PRO 27 HD1 PRO 27 -1.603 9.664 -11.703 202 H ASN 28 HN ASN 28 -3.794 12.542 -11.437 203 HA ASN 28 HA ASN 28 -3.969 14.555 -13.056 204 1HB ASN 28 HB2 ASN 28 -5.784 12.820 -12.144 205 2HB ASN 28 HB1 ASN 28 -6.366 14.274 -11.340 206 1HD2 ASN 28 HD21 ASN 28 -6.688 16.182 -12.746 207 2HD2 ASN 28 HD22 ASN 28 -7.302 15.918 -14.338 208 H GLY 29 HN GLY 29 -2.465 15.891 -11.872 209 1HA GLY 29 HA2 GLY 29 -2.533 18.305 -11.469 210 2HA GLY 29 HA1 GLY 29 -3.896 18.013 -10.404 211 H ASN 30 HN ASN 30 -2.494 15.608 -9.337 212 HA ASN 30 HA ASN 30 -0.788 17.006 -7.410 213 1HB ASN 30 HB2 ASN 30 -1.566 14.220 -6.880 214 2HB ASN 30 HB1 ASN 30 -1.575 15.613 -5.809 215 1HD2 ASN 30 HD21 ASN 30 -3.306 14.146 -8.515 216 2HD2 ASN 30 HD22 ASN 30 -4.865 14.734 -8.063 217 H THR 31 HN THR 31 0.959 15.585 -6.454 218 HA THR 31 HA THR 31 2.266 13.990 -8.551 219 HB THR 31 HB THR 31 3.361 16.161 -8.455 220 HG1 THR 31 HG1 THR 31 4.996 14.886 -8.797 221 1HG2 THR 31 HG21 THR 31 2.733 16.718 -6.106 222 2HG2 THR 31 HG22 THR 31 4.414 17.049 -6.525 223 3HG2 THR 31 HG23 THR 31 4.006 15.621 -5.572 224 H PHE 32 HN PHE 32 3.985 12.560 -7.666 225 HA PHE 32 HA PHE 32 3.247 11.565 -4.991 226 1HB PHE 32 HB2 PHE 32 2.525 9.996 -6.699 227 2HB PHE 32 HB1 PHE 32 4.124 10.005 -7.430 228 HD1 PHE 32 HD1 PHE 32 4.716 7.756 -7.265 229 HD2 PHE 32 HD2 PHE 32 3.340 9.829 -3.812 230 HE1 PHE 32 HE1 PHE 32 5.381 5.850 -5.862 231 HE2 PHE 32 HE2 PHE 32 4.004 7.925 -2.404 232 HZ PHE 32 HZ PHE 32 5.027 5.933 -3.429 233 H ASN 33 HN ASN 33 4.864 11.018 -3.580 234 HA ASN 33 HA ASN 33 7.603 11.667 -4.451 235 1HB ASN 33 HB2 ASN 33 6.159 12.891 -2.466 236 2HB ASN 33 HB1 ASN 33 7.085 11.697 -1.560 237 1HD2 ASN 33 HD21 ASN 33 7.360 14.334 -3.875 238 2HD2 ASN 33 HD22 ASN 33 8.960 14.804 -3.427 239 H GLY 34 HN GLY 34 5.741 9.609 -2.220 240 1HA GLY 34 HA2 GLY 34 6.712 7.172 -2.780 241 2HA GLY 34 HA1 GLY 34 8.021 7.856 -1.831 242 H ILE 35 HN ILE 35 6.559 5.563 -1.071 243 HA ILE 35 HA ILE 35 4.766 6.485 1.044 244 HB ILE 35 HB ILE 35 5.445 3.625 0.481 245 1HG1 ILE 35 HG12 ILE 35 3.413 5.379 -0.884 246 2HG1 ILE 35 HG11 ILE 35 4.723 4.476 -1.637 247 1HG2 ILE 35 HG21 ILE 35 4.271 4.219 2.577 248 2HG2 ILE 35 HG22 ILE 35 3.322 3.175 1.518 249 3HG2 ILE 35 HG23 ILE 35 2.963 4.898 1.609 250 1HD1 ILE 35 HD11 ILE 35 3.431 2.697 -1.862 251 2HD1 ILE 35 HD12 ILE 35 2.083 3.684 -1.307 252 3HD1 ILE 35 HD13 ILE 35 3.002 2.720 -0.152 253 H SER 36 HN SER 36 5.957 7.255 2.666 254 HA SER 36 HA SER 36 8.401 6.039 3.569 255 1HB SER 36 HB2 SER 36 8.099 8.393 4.037 256 2HB SER 36 HB1 SER 36 6.562 8.092 4.847 257 HG SER 36 HG SER 36 7.617 7.676 6.611 258 H GLU 37 HN GLU 37 5.049 5.596 4.140 259 HA GLU 37 HA GLU 37 5.000 4.299 6.594 260 1HB GLU 37 HB2 GLU 37 3.222 4.869 4.603 261 2HB GLU 37 HB1 GLU 37 3.394 3.138 4.409 262 1HG GLU 37 HG2 GLU 37 2.449 2.683 6.461 263 2HG GLU 37 HG1 GLU 37 2.836 4.283 7.102 264 H LEU 38 HN LEU 38 6.211 3.439 3.491 265 HA LEU 38 HA LEU 38 7.544 1.113 4.491 266 1HB LEU 38 HB2 LEU 38 6.479 0.054 2.205 267 2HB LEU 38 HB1 LEU 38 5.948 -0.301 3.833 268 HG LEU 38 HG LEU 38 4.671 2.078 2.746 269 1HD1 LEU 38 HD11 LEU 38 3.160 0.730 1.254 270 2HD1 LEU 38 HD12 LEU 38 4.379 -0.536 1.308 271 3HD1 LEU 38 HD13 LEU 38 4.780 1.038 0.630 272 1HD2 LEU 38 HD21 LEU 38 3.957 -0.386 4.232 273 2HD2 LEU 38 HD22 LEU 38 2.674 0.479 3.393 274 3HD2 LEU 38 HD23 LEU 38 3.636 1.297 4.623 275 H GLN 39 HN GLN 39 9.457 2.024 3.908 276 HA GLN 39 HA GLN 39 10.336 3.629 2.082 277 1HB GLN 39 HB2 GLN 39 11.745 0.996 2.504 278 2HB GLN 39 HB1 GLN 39 12.474 2.535 2.068 279 1HG GLN 39 HG2 GLN 39 12.865 2.863 4.220 280 2HG GLN 39 HG1 GLN 39 11.126 3.043 4.443 281 1HE2 GLN 39 HE21 GLN 39 10.231 1.756 5.879 282 2HE2 GLN 39 HE22 GLN 39 10.856 0.240 6.419 283 H SER 40 HN SER 40 9.140 3.701 0.430 284 HA SER 40 HA SER 40 7.949 2.632 -1.440 285 1HB SER 40 HB2 SER 40 10.517 3.863 -2.421 286 2HB SER 40 HB1 SER 40 8.934 3.887 -3.199 287 HG SER 40 HG SER 40 8.849 5.769 -2.226 288 H SER 41 HN SER 41 11.345 1.751 -1.161 289 HA SER 41 HA SER 41 11.659 0.108 -3.335 290 1HB SER 41 HB2 SER 41 12.825 -1.193 -1.047 291 2HB SER 41 HB1 SER 41 13.625 -0.308 -2.347 292 HG SER 41 HG SER 41 13.381 1.574 -1.192 293 H GLN 42 HN GLN 42 9.555 -0.380 -0.657 294 HA GLN 42 HA GLN 42 9.331 -3.158 -0.610 295 1HB GLN 42 HB2 GLN 42 7.753 -2.705 0.918 296 2HB GLN 42 HB1 GLN 42 8.288 -1.059 0.755 297 1HG GLN 42 HG2 GLN 42 6.133 -0.642 0.447 298 2HG GLN 42 HG1 GLN 42 6.433 -1.167 -1.192 299 1HE2 GLN 42 HE21 GLN 42 6.795 -3.951 -0.456 300 2HE2 GLN 42 HE22 GLN 42 5.219 -4.569 -0.111 301 H TYR 43 HN TYR 43 7.987 -0.755 -2.672 302 HA TYR 43 HA TYR 43 6.626 -2.809 -4.286 303 1HB TYR 43 HB2 TYR 43 5.096 -0.975 -5.014 304 2HB TYR 43 HB1 TYR 43 4.978 -1.358 -3.300 305 HD1 TYR 43 HD1 TYR 43 5.084 0.348 -1.748 306 HD2 TYR 43 HD2 TYR 43 6.703 0.990 -5.627 307 HE1 TYR 43 HE1 TYR 43 5.495 2.700 -1.179 308 HE2 TYR 43 HE2 TYR 43 7.118 3.350 -5.070 309 HH TYR 43 HH TYR 43 6.723 4.989 -3.578 310 H THR 44 HN THR 44 6.069 -1.422 -6.463 311 HA THR 44 HA THR 44 8.638 -0.518 -7.538 312 HB THR 44 HB THR 44 6.742 -1.909 -9.355 313 HG1 THR 44 HG1 THR 44 8.110 -3.167 -7.254 314 1HG2 THR 44 HG21 THR 44 9.553 -1.259 -9.289 315 2HG2 THR 44 HG22 THR 44 8.528 -1.722 -10.649 316 3HG2 THR 44 HG23 THR 44 9.280 -2.964 -9.650 317 H LYS 45 HN LYS 45 7.964 1.588 -7.220 318 HA LYS 45 HA LYS 45 5.514 2.631 -8.172 319 1HB LYS 45 HB2 LYS 45 6.347 4.075 -6.627 320 2HB LYS 45 HB1 LYS 45 8.017 3.742 -7.056 321 1HG LYS 45 HG2 LYS 45 7.754 5.167 -9.051 322 2HG LYS 45 HG1 LYS 45 6.108 5.540 -8.534 323 1HD LYS 45 HD2 LYS 45 6.961 7.237 -7.369 324 2HD LYS 45 HD1 LYS 45 7.686 6.037 -6.294 325 1HE LYS 45 HE2 LYS 45 9.397 7.552 -7.037 326 2HE LYS 45 HE1 LYS 45 9.667 5.978 -7.785 327 1HZ LYS 45 HZ1 LYS 45 9.953 7.771 -9.375 328 2HZ LYS 45 HZ2 LYS 45 8.377 8.316 -9.088 329 3HZ LYS 45 HZ3 LYS 45 8.632 6.807 -9.806 330 H GLY 46 HN GLY 46 5.339 4.323 -9.814 331 1HA GLY 46 HA2 GLY 46 7.244 4.433 -11.948 332 2HA GLY 46 HA1 GLY 46 5.830 3.463 -12.348 333 H THR 47 HN THR 47 6.696 6.615 -10.968 334 HA THR 47 HA THR 47 5.310 8.515 -10.839 335 HB THR 47 HB THR 47 6.057 8.099 -13.735 336 HG1 THR 47 HG1 THR 47 7.818 8.255 -12.349 337 1HG2 THR 47 HG21 THR 47 6.023 10.717 -13.617 338 2HG2 THR 47 HG22 THR 47 4.781 10.423 -12.400 339 3HG2 THR 47 HG23 THR 47 4.574 9.801 -14.037 340 H ASN 48 HN ASN 48 3.239 8.073 -10.237 341 HA ASN 48 HA ASN 48 0.973 8.317 -10.582 342 1HB ASN 48 HB2 ASN 48 1.259 7.527 -13.466 343 2HB ASN 48 HB1 ASN 48 -0.019 8.465 -12.709 344 1HD2 ASN 48 HD21 ASN 48 1.852 10.105 -11.199 345 2HD2 ASN 48 HD22 ASN 48 2.550 11.197 -12.338 346 H GLU 49 HN GLU 49 2.947 5.689 -11.297 347 HA GLU 49 HA GLU 49 0.714 3.854 -10.782 348 1HB GLU 49 HB2 GLU 49 2.950 3.553 -12.774 349 2HB GLU 49 HB1 GLU 49 2.031 2.174 -12.190 350 1HG GLU 49 HG2 GLU 49 0.386 4.394 -13.153 351 2HG GLU 49 HG1 GLU 49 1.414 3.656 -14.381 352 H VAL 50 HN VAL 50 1.368 1.802 -9.782 353 HA VAL 50 HA VAL 50 3.995 1.632 -8.597 354 HB VAL 50 HB VAL 50 1.649 1.845 -6.712 355 1HG1 VAL 50 HG11 VAL 50 4.551 1.320 -6.442 356 2HG1 VAL 50 HG12 VAL 50 3.191 0.691 -5.511 357 3HG1 VAL 50 HG13 VAL 50 3.793 2.320 -5.204 358 1HG2 VAL 50 HG21 VAL 50 2.569 4.046 -6.067 359 2HG2 VAL 50 HG22 VAL 50 1.964 4.018 -7.724 360 3HG2 VAL 50 HG23 VAL 50 3.699 3.943 -7.417 361 H THR 51 HN THR 51 4.469 -0.436 -7.798 362 HA THR 51 HA THR 51 2.290 -2.401 -7.954 363 HB THR 51 HB THR 51 4.983 -2.635 -9.293 364 HG1 THR 51 HG1 THR 51 3.837 -2.583 -11.142 365 1HG2 THR 51 HG21 THR 51 2.846 -4.706 -8.909 366 2HG2 THR 51 HG22 THR 51 4.551 -4.805 -8.469 367 3HG2 THR 51 HG23 THR 51 4.076 -4.801 -10.169 368 H LEU 52 HN LEU 52 2.139 -3.311 -6.029 369 HA LEU 52 HA LEU 52 4.195 -3.397 -4.087 370 1HB LEU 52 HB2 LEU 52 1.538 -4.802 -4.338 371 2HB LEU 52 HB1 LEU 52 2.594 -5.008 -2.956 372 HG LEU 52 HG LEU 52 2.444 -2.558 -2.574 373 1HD1 LEU 52 HD11 LEU 52 0.273 -2.734 -4.647 374 2HD1 LEU 52 HD12 LEU 52 1.791 -1.847 -4.795 375 3HD1 LEU 52 HD13 LEU 52 0.584 -1.342 -3.612 376 1HD2 LEU 52 HD21 LEU 52 -0.055 -2.723 -1.870 377 2HD2 LEU 52 HD22 LEU 52 1.149 -3.748 -1.096 378 3HD2 LEU 52 HD23 LEU 52 0.120 -4.404 -2.373 379 H LEU 53 HN LEU 53 5.687 -4.979 -3.666 380 HA LEU 53 HA LEU 53 5.583 -7.284 -5.461 381 1HB LEU 53 HB2 LEU 53 7.764 -5.651 -4.375 382 2HB LEU 53 HB1 LEU 53 8.080 -7.373 -4.334 383 HG LEU 53 HG LEU 53 7.051 -6.324 -6.897 384 1HD1 LEU 53 HD11 LEU 53 8.834 -5.065 -7.521 385 2HD1 LEU 53 HD12 LEU 53 9.948 -5.908 -6.446 386 3HD1 LEU 53 HD13 LEU 53 8.843 -4.698 -5.795 387 1HD2 LEU 53 HD21 LEU 53 9.270 -8.207 -6.105 388 2HD2 LEU 53 HD22 LEU 53 8.779 -7.860 -7.763 389 3HD2 LEU 53 HD23 LEU 53 7.657 -8.652 -6.657 390 H ALA 54 HN ALA 54 4.603 -8.925 -4.553 391 HA ALA 54 HA ALA 54 3.998 -9.541 -2.021 392 1HB ALA 54 HB1 ALA 54 4.970 -11.795 -3.702 393 2HB ALA 54 HB2 ALA 54 3.614 -10.821 -4.269 394 3HB ALA 54 HB3 ALA 54 3.509 -11.664 -2.724 395 H SER 55 HN SER 55 7.223 -9.503 -3.206 396 HA SER 55 HA SER 55 8.319 -11.395 -1.390 397 1HB SER 55 HB2 SER 55 10.392 -10.832 -2.263 398 2HB SER 55 HB1 SER 55 9.332 -10.347 -3.585 399 HG SER 55 HG SER 55 9.431 -8.212 -2.780 400 H TYR 56 HN TYR 56 8.091 -7.865 -1.370 401 HA TYR 56 HA TYR 56 9.340 -7.587 1.188 402 1HB TYR 56 HB2 TYR 56 9.396 -5.733 -0.353 403 2HB TYR 56 HB1 TYR 56 7.643 -5.715 -0.467 404 HD1 TYR 56 HD1 TYR 56 6.353 -5.226 1.740 405 HD2 TYR 56 HD2 TYR 56 10.470 -4.334 1.141 406 HE1 TYR 56 HE1 TYR 56 6.257 -3.572 3.558 407 HE2 TYR 56 HE2 TYR 56 10.384 -2.683 2.961 408 HH TYR 56 HH TYR 56 8.532 -2.517 5.208 409 H LEU 57 HN LEU 57 6.037 -7.092 0.039 410 HA LEU 57 HA LEU 57 4.796 -6.704 2.456 411 1HB LEU 57 HB2 LEU 57 3.974 -6.989 -0.151 412 2HB LEU 57 HB1 LEU 57 3.208 -8.349 0.649 413 HG LEU 57 HG LEU 57 2.202 -6.836 2.272 414 1HD1 LEU 57 HD11 LEU 57 4.177 -5.093 1.578 415 2HD1 LEU 57 HD12 LEU 57 2.741 -4.681 2.514 416 3HD1 LEU 57 HD13 LEU 57 2.769 -4.396 0.774 417 1HD2 LEU 57 HD21 LEU 57 1.103 -5.368 0.175 418 2HD2 LEU 57 HD22 LEU 57 0.520 -6.905 0.813 419 3HD2 LEU 57 HD23 LEU 57 1.630 -6.882 -0.552 420 H ASN 58 HN ASN 58 5.649 -9.749 0.883 421 HA ASN 58 HA ASN 58 4.355 -11.402 2.783 422 1HB ASN 58 HB2 ASN 58 5.001 -12.337 0.645 423 2HB ASN 58 HB1 ASN 58 6.693 -11.947 0.935 424 1HD2 ASN 58 HD21 ASN 58 4.741 -14.440 0.716 425 2HD2 ASN 58 HD22 ASN 58 5.424 -15.513 1.886 426 H THR 59 HN THR 59 7.350 -9.679 2.713 427 HA THR 59 HA THR 59 8.597 -11.111 4.852 428 HB THR 59 HB THR 59 9.264 -8.404 3.685 429 HG1 THR 59 HG1 THR 59 9.340 -10.472 2.361 430 1HG2 THR 59 HG21 THR 59 10.401 -9.818 5.898 431 2HG2 THR 59 HG22 THR 59 10.822 -8.236 5.242 432 3HG2 THR 59 HG23 THR 59 11.574 -9.689 4.587 433 H LEU 60 HN LEU 60 6.456 -8.396 4.577 434 HA LEU 60 HA LEU 60 6.764 -6.843 6.726 435 1HB LEU 60 HB2 LEU 60 4.354 -8.040 5.498 436 2HB LEU 60 HB1 LEU 60 4.138 -7.309 7.074 437 HG LEU 60 HG LEU 60 3.719 -5.895 4.949 438 1HD1 LEU 60 HD11 LEU 60 3.601 -4.915 7.112 439 2HD1 LEU 60 HD12 LEU 60 4.621 -3.873 6.119 440 3HD1 LEU 60 HD13 LEU 60 5.355 -4.962 7.296 441 1HD2 LEU 60 HD21 LEU 60 5.425 -5.307 3.648 442 2HD2 LEU 60 HD22 LEU 60 6.342 -6.586 4.437 443 3HD2 LEU 60 HD23 LEU 60 6.452 -4.932 5.031 444 HA PRO 61 HA PRO 61 7.083 -9.137 10.474 445 1HB PRO 61 HB2 PRO 61 5.395 -7.018 11.688 446 2HB PRO 61 HB1 PRO 61 7.007 -7.576 12.148 447 1HG PRO 61 HG2 PRO 61 6.671 -5.239 10.912 448 2HG PRO 61 HG1 PRO 61 8.057 -6.281 10.537 449 1HD PRO 61 HD2 PRO 61 5.539 -5.843 8.988 450 2HD PRO 61 HD1 PRO 61 7.202 -6.044 8.402 451 H GLU 62 HN GLU 62 5.633 -9.781 12.411 452 HA GLU 62 HA GLU 62 3.611 -11.457 11.539 453 1HB GLU 62 HB2 GLU 62 4.292 -10.326 14.240 454 2HB GLU 62 HB1 GLU 62 2.977 -11.469 14.026 455 1HG GLU 62 HG2 GLU 62 4.591 -12.944 14.506 456 2HG GLU 62 HG1 GLU 62 4.896 -12.818 12.776 457 H ASN 63 HN ASN 63 1.479 -11.181 13.148 458 HA ASN 63 HA ASN 63 -0.374 -9.937 11.784 459 1HB ASN 63 HB2 ASN 63 -1.669 -9.668 13.936 460 2HB ASN 63 HB1 ASN 63 -1.016 -11.275 13.638 461 1HD2 ASN 63 HD21 ASN 63 -0.786 -8.399 15.562 462 2HD2 ASN 63 HD22 ASN 63 0.235 -9.055 16.785 463 H THR 64 HN THR 64 0.875 -8.056 10.972 464 HA THR 64 HA THR 64 0.603 -5.722 12.757 465 HB THR 64 HB THR 64 2.271 -4.659 11.146 466 HG1 THR 64 HG1 THR 64 2.870 -7.330 10.465 467 1HG2 THR 64 HG21 THR 64 4.166 -5.481 12.241 468 2HG2 THR 64 HG22 THR 64 3.425 -7.055 12.527 469 3HG2 THR 64 HG23 THR 64 2.855 -5.637 13.411 470 H THR 65 HN THR 65 0.121 -3.651 11.642 471 HA THR 65 HA THR 65 -1.825 -4.102 9.484 472 HB THR 65 HB THR 65 -1.882 -1.599 11.050 473 HG1 THR 65 HG1 THR 65 -1.721 -2.838 12.800 474 1HG2 THR 65 HG21 THR 65 -4.097 -1.558 10.596 475 2HG2 THR 65 HG22 THR 65 -4.259 -3.314 10.674 476 3HG2 THR 65 HG23 THR 65 -3.565 -2.554 9.241 477 H LYS 66 HN LYS 66 -0.105 -3.938 7.930 478 HA LYS 66 HA LYS 66 1.513 -1.644 7.635 479 1HB LYS 66 HB2 LYS 66 1.954 -3.871 6.590 480 2HB LYS 66 HB1 LYS 66 0.611 -3.583 5.496 481 1HG LYS 66 HG2 LYS 66 2.421 -1.364 5.407 482 2HG LYS 66 HG1 LYS 66 3.298 -2.873 5.153 483 1HD LYS 66 HD2 LYS 66 1.391 -3.437 3.508 484 2HD LYS 66 HD1 LYS 66 1.039 -1.713 3.563 485 1HE LYS 66 HE2 LYS 66 2.641 -2.719 1.744 486 2HE LYS 66 HE1 LYS 66 2.977 -1.157 2.478 487 1HZ LYS 66 HZ1 LYS 66 4.918 -2.680 2.349 488 2HZ LYS 66 HZ2 LYS 66 4.142 -3.707 3.444 489 3HZ LYS 66 HZ3 LYS 66 4.575 -2.143 3.915 490 H THR 67 HN THR 67 1.329 0.003 5.969 491 HA THR 67 HA THR 67 -1.304 0.418 4.821 492 HB THR 67 HB THR 67 0.006 2.338 6.735 493 HG1 THR 67 HG1 THR 67 -1.200 1.225 8.041 494 1HG2 THR 67 HG21 THR 67 -1.628 3.938 6.316 495 2HG2 THR 67 HG22 THR 67 -2.638 2.804 5.422 496 3HG2 THR 67 HG23 THR 67 -1.139 3.397 4.709 497 H LEU 68 HN LEU 68 -1.124 1.225 2.826 498 HA LEU 68 HA LEU 68 1.499 2.156 1.949 499 1HB LEU 68 HB2 LEU 68 0.804 0.476 0.525 500 2HB LEU 68 HB1 LEU 68 -0.872 0.953 0.607 501 HG LEU 68 HG LEU 68 0.698 3.013 -0.657 502 1HD1 LEU 68 HD11 LEU 68 1.979 0.796 -1.155 503 2HD1 LEU 68 HD12 LEU 68 1.636 1.929 -2.461 504 3HD1 LEU 68 HD13 LEU 68 0.633 0.495 -2.254 505 1HD2 LEU 68 HD21 LEU 68 -1.493 1.255 -1.734 506 2HD2 LEU 68 HD22 LEU 68 -0.977 2.819 -2.363 507 3HD2 LEU 68 HD23 LEU 68 -1.753 2.718 -0.784 508 H THR 69 HN THR 69 1.503 4.291 2.694 509 HA THR 69 HA THR 69 -0.584 6.041 1.601 510 HB THR 69 HB THR 69 1.415 6.499 3.821 511 HG1 THR 69 HG1 THR 69 -0.615 5.166 4.075 512 1HG2 THR 69 HG21 THR 69 -0.249 8.485 4.219 513 2HG2 THR 69 HG22 THR 69 -0.448 8.367 2.471 514 3HG2 THR 69 HG23 THR 69 1.145 8.655 3.161 515 H PHE 70 HN PHE 70 0.066 6.620 -0.426 516 HA PHE 70 HA PHE 70 2.766 7.115 -1.166 517 1HB PHE 70 HB2 PHE 70 0.140 7.839 -2.489 518 2HB PHE 70 HB1 PHE 70 1.711 8.092 -3.224 519 HD1 PHE 70 HD1 PHE 70 3.162 5.668 -2.736 520 HD2 PHE 70 HD2 PHE 70 -0.958 6.195 -3.612 521 HE1 PHE 70 HE1 PHE 70 3.083 3.403 -3.689 522 HE2 PHE 70 HE2 PHE 70 -1.050 3.924 -4.562 523 HZ PHE 70 HZ PHE 70 0.970 2.527 -4.600 524 H ASP 71 HN ASP 71 3.926 8.852 -0.705 525 HA ASP 71 HA ASP 71 2.802 11.141 0.548 526 1HB ASP 71 HB2 ASP 71 5.067 10.473 1.052 527 2HB ASP 71 HB1 ASP 71 5.541 10.697 -0.620 528 H PHE 72 HN PHE 72 1.342 12.069 -0.709 529 HA PHE 72 HA PHE 72 2.118 13.027 -3.368 530 1HB PHE 72 HB2 PHE 72 -0.381 12.166 -2.137 531 2HB PHE 72 HB1 PHE 72 -0.544 13.692 -2.996 532 HD1 PHE 72 HD1 PHE 72 -1.238 13.541 -5.159 533 HD2 PHE 72 HD2 PHE 72 1.103 10.384 -3.540 534 HE1 PHE 72 HE1 PHE 72 -1.408 12.328 -7.294 535 HE2 PHE 72 HE2 PHE 72 0.940 9.168 -5.671 536 HZ PHE 72 HZ PHE 72 -0.311 10.136 -7.551 537 H GLY 73 HN GLY 73 2.911 14.207 -0.699 538 1HA GLY 73 HA2 GLY 73 3.351 16.331 0.044 539 2HA GLY 73 HA1 GLY 73 2.642 16.932 -1.443 540 H VAL 74 HN VAL 74 0.350 14.981 -0.173 541 HA VAL 74 HA VAL 74 -0.783 17.053 1.566 542 HB VAL 74 HB VAL 74 -3.025 16.596 0.556 543 1HG1 VAL 74 HG11 VAL 74 -2.770 18.385 -0.762 544 2HG1 VAL 74 HG12 VAL 74 -1.532 17.602 -1.742 545 3HG1 VAL 74 HG13 VAL 74 -1.094 18.362 -0.211 546 1HG2 VAL 74 HG21 VAL 74 -3.338 15.309 -1.307 547 2HG2 VAL 74 HG22 VAL 74 -2.022 14.422 -0.537 548 3HG2 VAL 74 HG23 VAL 74 -1.680 15.526 -1.867 549 H GLY 75 HN GLY 75 0.508 14.784 2.464 550 1HA GLY 75 HA2 GLY 75 -0.749 12.437 2.868 551 2HA GLY 75 HA1 GLY 75 0.145 13.234 4.142 552 H THR 76 HN THR 76 -1.776 15.484 4.156 553 HA THR 76 HA THR 76 -3.323 14.955 6.292 554 HB THR 76 HB THR 76 -4.104 16.627 3.901 555 HG1 THR 76 HG1 THR 76 -2.956 18.169 4.810 556 1HG2 THR 76 HG21 THR 76 -5.417 16.267 6.518 557 2HG2 THR 76 HG22 THR 76 -6.093 16.727 4.955 558 3HG2 THR 76 HG23 THR 76 -5.239 17.922 5.929 559 H LYS 77 HN LYS 77 -4.244 14.294 2.940 560 HA LYS 77 HA LYS 77 -6.049 12.235 3.850 561 1HB LYS 77 HB2 LYS 77 -7.956 13.052 2.587 562 2HB LYS 77 HB1 LYS 77 -7.454 14.264 3.757 563 1HG LYS 77 HG2 LYS 77 -6.764 15.726 2.158 564 2HG LYS 77 HG1 LYS 77 -6.331 14.450 1.019 565 1HD LYS 77 HD2 LYS 77 -8.935 14.033 1.024 566 2HD LYS 77 HD1 LYS 77 -8.974 15.718 1.544 567 1HE LYS 77 HE2 LYS 77 -7.526 14.730 -0.902 568 2HE LYS 77 HE1 LYS 77 -9.156 15.405 -0.916 569 1HZ LYS 77 HZ1 LYS 77 -6.594 16.754 -0.385 570 2HZ LYS 77 HZ2 LYS 77 -8.022 17.387 0.258 571 3HZ LYS 77 HZ3 LYS 77 -7.856 17.218 -1.414 572 H ASN 78 HN ASN 78 -3.510 12.666 2.247 573 HA ASN 78 HA ASN 78 -3.925 12.163 -0.440 574 1HB ASN 78 HB2 ASN 78 -1.646 11.702 -0.520 575 2HB ASN 78 HB1 ASN 78 -1.788 12.758 0.863 576 1HD2 ASN 78 HD21 ASN 78 0.425 11.475 0.854 577 2HD2 ASN 78 HD22 ASN 78 0.440 10.119 1.926 578 HA PRO 79 HA PRO 79 -5.349 8.041 -0.951 579 1HB PRO 79 HB2 PRO 79 -3.497 7.078 -2.790 580 2HB PRO 79 HB1 PRO 79 -4.960 7.981 -3.189 581 1HG PRO 79 HG2 PRO 79 -2.143 8.931 -2.962 582 2HG PRO 79 HG1 PRO 79 -3.414 9.439 -4.089 583 1HD PRO 79 HD2 PRO 79 -2.701 10.949 -1.981 584 2HD PRO 79 HD1 PRO 79 -4.384 10.866 -2.544 585 H LYS 80 HN LYS 80 -4.906 7.119 1.042 586 HA LYS 80 HA LYS 80 -2.455 5.499 1.140 587 1HB LYS 80 HB2 LYS 80 -2.822 5.845 3.738 588 2HB LYS 80 HB1 LYS 80 -1.890 6.989 2.787 589 1HG LYS 80 HG2 LYS 80 -3.380 8.635 3.080 590 2HG LYS 80 HG1 LYS 80 -4.765 7.554 2.920 591 1HD LYS 80 HD2 LYS 80 -4.017 6.681 5.252 592 2HD LYS 80 HD1 LYS 80 -3.143 8.212 5.346 593 1HE LYS 80 HE2 LYS 80 -6.098 7.910 4.830 594 2HE LYS 80 HE1 LYS 80 -5.371 8.352 6.374 595 1HZ LYS 80 HZ1 LYS 80 -6.042 10.022 4.223 596 2HZ LYS 80 HZ2 LYS 80 -4.365 10.078 4.425 597 3HZ LYS 80 HZ3 LYS 80 -5.383 10.452 5.720 598 H LEU 81 HN LEU 81 -2.811 3.381 1.502 599 HA LEU 81 HA LEU 81 -5.475 2.622 2.444 600 1HB LEU 81 HB2 LEU 81 -5.350 0.606 1.135 601 2HB LEU 81 HB1 LEU 81 -5.087 1.999 0.109 602 HG LEU 81 HG LEU 81 -2.587 1.516 0.377 603 1HD1 LEU 81 HD11 LEU 81 -2.312 -1.051 0.701 604 2HD1 LEU 81 HD12 LEU 81 -3.805 -0.900 1.624 605 3HD1 LEU 81 HD13 LEU 81 -2.376 0.011 2.105 606 1HD2 LEU 81 HD21 LEU 81 -4.488 -0.248 -1.130 607 2HD2 LEU 81 HD22 LEU 81 -2.739 -0.347 -1.330 608 3HD2 LEU 81 HD23 LEU 81 -3.588 1.146 -1.718 609 H THR 82 HN THR 82 -5.620 0.603 3.670 610 HA THR 82 HA THR 82 -3.217 0.269 5.332 611 HB THR 82 HB THR 82 -5.080 1.097 6.597 612 HG1 THR 82 HG1 THR 82 -4.952 -0.337 8.177 613 1HG2 THR 82 HG21 THR 82 -7.182 -0.023 6.817 614 2HG2 THR 82 HG22 THR 82 -6.660 -1.304 5.725 615 3HG2 THR 82 HG23 THR 82 -6.896 0.328 5.112 616 H ILE 83 HN ILE 83 -2.071 -1.434 4.743 617 HA ILE 83 HA ILE 83 -3.384 -3.862 3.785 618 HB ILE 83 HB ILE 83 -0.459 -3.128 3.982 619 1HG1 ILE 83 HG12 ILE 83 -2.484 -2.607 2.015 620 2HG1 ILE 83 HG11 ILE 83 -0.802 -2.098 2.026 621 1HG2 ILE 83 HG21 ILE 83 -0.077 -5.193 2.646 622 2HG2 ILE 83 HG22 ILE 83 -1.762 -5.630 2.929 623 3HG2 ILE 83 HG23 ILE 83 -0.647 -5.494 4.289 624 1HD1 ILE 83 HD11 ILE 83 -1.575 -3.405 0.018 625 2HD1 ILE 83 HD12 ILE 83 -1.666 -4.811 1.074 626 3HD1 ILE 83 HD13 ILE 83 -0.119 -4.000 0.812 627 H THR 84 HN THR 84 -4.029 -5.273 5.296 628 HA THR 84 HA THR 84 -2.701 -5.328 7.887 629 HB THR 84 HB THR 84 -5.073 -6.977 7.031 630 HG1 THR 84 HG1 THR 84 -6.272 -5.231 8.059 631 1HG2 THR 84 HG21 THR 84 -5.482 -7.401 9.215 632 2HG2 THR 84 HG22 THR 84 -4.747 -5.896 9.764 633 3HG2 THR 84 HG23 THR 84 -3.727 -7.257 9.292 634 H VAL 85 HN VAL 85 -1.072 -6.651 8.258 635 HA VAL 85 HA VAL 85 -0.807 -9.083 6.639 636 HB VAL 85 HB VAL 85 1.461 -8.795 8.270 637 1HG1 VAL 85 HG11 VAL 85 1.591 -7.843 5.479 638 2HG1 VAL 85 HG12 VAL 85 0.936 -9.462 5.732 639 3HG1 VAL 85 HG13 VAL 85 2.553 -9.065 6.309 640 1HG2 VAL 85 HG21 VAL 85 0.568 -6.178 7.084 641 2HG2 VAL 85 HG22 VAL 85 2.249 -6.528 7.486 642 3HG2 VAL 85 HG23 VAL 85 1.024 -6.518 8.752 643 H LEU 86 HN LEU 86 -2.119 -10.528 7.666 644 HA LEU 86 HA LEU 86 -2.399 -10.818 10.439 645 1HB LEU 86 HB2 LEU 86 -3.048 -12.470 8.061 646 2HB LEU 86 HB1 LEU 86 -3.026 -13.281 9.613 647 HG LEU 86 HG LEU 86 -5.271 -12.412 8.815 648 1HD1 LEU 86 HD11 LEU 86 -4.993 -13.076 11.094 649 2HD1 LEU 86 HD12 LEU 86 -5.880 -11.552 11.072 650 3HD1 LEU 86 HD13 LEU 86 -4.166 -11.567 11.485 651 1HD2 LEU 86 HD21 LEU 86 -4.133 -9.756 9.668 652 2HD2 LEU 86 HD22 LEU 86 -5.756 -10.083 9.060 653 3HD2 LEU 86 HD23 LEU 86 -4.365 -10.242 7.988 654 HA PRO 87 HA PRO 87 1.102 -13.173 11.681 655 1HB PRO 87 HB2 PRO 87 0.127 -14.781 13.593 656 2HB PRO 87 HB1 PRO 87 0.167 -13.025 13.791 657 1HG PRO 87 HG2 PRO 87 -2.118 -14.793 13.032 658 2HG PRO 87 HG1 PRO 87 -2.092 -13.411 14.141 659 1HD PRO 87 HD2 PRO 87 -2.975 -13.278 11.546 660 2HD PRO 87 HD1 PRO 87 -2.327 -11.896 12.443 661 H LYS 88 HN LYS 88 2.242 -14.881 11.025 662 HA LYS 88 HA LYS 88 1.137 -16.785 9.257 663 1HB LYS 88 HB2 LYS 88 3.599 -17.797 10.233 664 2HB LYS 88 HB1 LYS 88 3.284 -17.003 8.698 665 1HG LYS 88 HG2 LYS 88 3.717 -14.826 9.759 666 2HG LYS 88 HG1 LYS 88 4.087 -15.658 11.271 667 1HD LYS 88 HD2 LYS 88 5.597 -16.846 9.156 668 2HD LYS 88 HD1 LYS 88 5.823 -15.096 9.111 669 1HE LYS 88 HE2 LYS 88 6.422 -17.019 11.334 670 2HE LYS 88 HE1 LYS 88 7.499 -15.864 10.551 671 1HZ LYS 88 HZ1 LYS 88 5.478 -15.413 12.627 672 2HZ LYS 88 HZ2 LYS 88 5.790 -14.164 11.529 673 3HZ LYS 88 HZ3 LYS 88 7.042 -14.778 12.487 674 H ASP 89 HN ASP 89 0.715 -18.969 9.500 675 HA ASP 89 HA ASP 89 -0.245 -19.777 12.040 676 1HB ASP 89 HB2 ASP 89 -0.044 -22.042 10.378 677 2HB ASP 89 HB1 ASP 89 -1.472 -21.080 10.709 678 H ILE 90 HN ILE 90 1.401 -19.888 13.523 679 HA ILE 90 HA ILE 90 3.307 -22.089 13.114 680 HB ILE 90 HB ILE 90 4.507 -19.971 12.789 681 1HG1 ILE 90 HG12 ILE 90 5.144 -21.482 15.328 682 2HG1 ILE 90 HG11 ILE 90 5.771 -21.798 13.713 683 1HG2 ILE 90 HG21 ILE 90 2.859 -18.839 14.519 684 2HG2 ILE 90 HG22 ILE 90 4.481 -18.210 14.237 685 3HG2 ILE 90 HG23 ILE 90 4.161 -19.226 15.642 686 1HD1 ILE 90 HD11 ILE 90 7.518 -20.732 14.813 687 2HD1 ILE 90 HD12 ILE 90 6.444 -19.565 15.584 688 3HD1 ILE 90 HD13 ILE 90 6.774 -19.450 13.855 689 HA PRO 91 HA PRO 91 1.705 -23.412 17.030 690 1HB PRO 91 HB2 PRO 91 3.612 -25.240 17.650 691 2HB PRO 91 HB1 PRO 91 2.371 -25.527 16.424 692 1HG PRO 91 HG2 PRO 91 5.216 -24.669 16.073 693 2HG PRO 91 HG1 PRO 91 4.286 -25.864 15.150 694 1HD PRO 91 HD2 PRO 91 4.719 -23.344 14.252 695 2HD PRO 91 HD1 PRO 91 3.240 -24.252 13.877 696 H GLY 92 HN GLY 92 1.818 -22.109 18.750 697 1HA GLY 92 HA2 GLY 92 3.252 -21.940 20.843 698 2HA GLY 92 HA1 GLY 92 4.489 -21.343 19.748 699 H LEU 93 HN LEU 93 2.299 -19.948 18.183 700 HA LEU 93 HA LEU 93 1.482 -17.870 20.058 701 1HB LEU 93 HB2 LEU 93 2.462 -16.076 18.799 702 2HB LEU 93 HB1 LEU 93 3.723 -17.210 19.245 703 HG LEU 93 HG LEU 93 2.889 -18.063 16.726 704 1HD1 LEU 93 HD11 LEU 93 3.154 -15.059 16.765 705 2HD1 LEU 93 HD12 LEU 93 1.672 -15.960 16.440 706 3HD1 LEU 93 HD13 LEU 93 3.037 -16.080 15.331 707 1HD2 LEU 93 HD21 LEU 93 5.128 -16.737 16.150 708 2HD2 LEU 93 HD22 LEU 93 5.126 -18.251 17.056 709 3HD2 LEU 93 HD23 LEU 93 5.243 -16.713 17.911 710 H GLU 94 HN GLU 94 -0.652 -18.082 19.704 711 HA GLU 94 HA GLU 94 -1.595 -17.680 16.944 712 1HB GLU 94 HB2 GLU 94 -2.413 -19.703 18.968 713 2HB GLU 94 HB1 GLU 94 -3.670 -19.025 17.942 714 1HG GLU 94 HG2 GLU 94 -1.164 -20.106 16.730 715 2HG GLU 94 HG1 GLU 94 -2.457 -21.196 17.227 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -2.995 22.059 -0.949 2 2H MET 1 HT2 MET 1 -2.059 20.972 -1.889 3 3H MET 1 HT3 MET 1 -1.724 21.173 -0.218 4 HA MET 1 HA MET 1 -2.853 19.236 -0.232 5 1HB MET 1 HB2 MET 1 -5.013 21.342 -0.006 6 2HB MET 1 HB1 MET 1 -5.022 19.749 0.735 7 1HG MET 1 HG2 MET 1 -2.662 20.915 1.614 8 2HG MET 1 HG1 MET 1 -3.852 22.215 1.665 9 1HE MET 1 HE1 MET 1 -6.309 21.151 1.973 10 2HE MET 1 HE2 MET 1 -6.630 21.065 3.705 11 3HE MET 1 HE3 MET 1 -6.549 19.586 2.750 12 H GLN 2 HN GLN 2 -2.599 18.522 -2.463 13 HA GLN 2 HA GLN 2 -4.673 19.094 -4.370 14 1HB GLN 2 HB2 GLN 2 -2.285 17.275 -4.328 15 2HB GLN 2 HB1 GLN 2 -3.496 17.123 -5.591 16 1HG GLN 2 HG2 GLN 2 -2.091 19.702 -4.966 17 2HG GLN 2 HG1 GLN 2 -1.499 18.535 -6.149 18 1HE2 GLN 2 HE21 GLN 2 -1.942 20.934 -7.108 19 2HE2 GLN 2 HE22 GLN 2 -3.399 21.011 -8.032 20 H ASP 3 HN ASP 3 -5.604 17.021 -5.531 21 HA ASP 3 HA ASP 3 -6.612 15.171 -3.478 22 1HB ASP 3 HB2 ASP 3 -8.827 15.238 -4.613 23 2HB ASP 3 HB1 ASP 3 -8.372 16.782 -3.896 24 HA PRO 4 HA PRO 4 -4.919 12.712 -6.985 25 1HB PRO 4 HB2 PRO 4 -3.809 10.788 -5.457 26 2HB PRO 4 HB1 PRO 4 -2.999 12.326 -5.770 27 1HG PRO 4 HG2 PRO 4 -4.550 11.464 -3.360 28 2HG PRO 4 HG1 PRO 4 -3.016 12.347 -3.445 29 1HD PRO 4 HD2 PRO 4 -5.410 13.566 -3.006 30 2HD PRO 4 HD1 PRO 4 -4.051 14.362 -3.825 31 H THR 5 HN THR 5 -5.647 10.725 -7.830 32 HA THR 5 HA THR 5 -7.789 9.439 -6.273 33 HB THR 5 HB THR 5 -7.781 9.928 -9.248 34 HG1 THR 5 HG1 THR 5 -8.912 11.262 -7.087 35 1HG2 THR 5 HG21 THR 5 -10.331 9.239 -8.167 36 2HG2 THR 5 HG22 THR 5 -9.159 7.976 -7.786 37 3HG2 THR 5 HG23 THR 5 -9.418 8.466 -9.462 38 H ILE 6 HN ILE 6 -6.012 8.028 -5.642 39 HA ILE 6 HA ILE 6 -5.190 6.154 -7.734 40 HB ILE 6 HB ILE 6 -3.278 5.729 -6.587 41 1HG1 ILE 6 HG12 ILE 6 -4.150 4.710 -4.618 42 2HG1 ILE 6 HG11 ILE 6 -3.056 5.971 -4.081 43 1HG2 ILE 6 HG21 ILE 6 -4.142 8.432 -5.604 44 2HG2 ILE 6 HG22 ILE 6 -3.096 8.047 -6.970 45 3HG2 ILE 6 HG23 ILE 6 -2.525 7.792 -5.322 46 1HD1 ILE 6 HD11 ILE 6 -5.049 5.921 -2.735 47 2HD1 ILE 6 HD12 ILE 6 -6.052 6.139 -4.161 48 3HD1 ILE 6 HD13 ILE 6 -4.963 7.424 -3.652 49 H ASN 7 HN ASN 7 -4.599 3.951 -6.313 50 HA ASN 7 HA ASN 7 -6.873 2.442 -6.229 51 1HB ASN 7 HB2 ASN 7 -5.560 0.778 -5.137 52 2HB ASN 7 HB1 ASN 7 -4.450 1.706 -6.134 53 1HD2 ASN 7 HD21 ASN 7 -3.070 3.214 -5.143 54 2HD2 ASN 7 HD22 ASN 7 -2.652 3.083 -3.474 55 HA PRO 8 HA PRO 8 -9.031 2.917 -2.485 56 1HB PRO 8 HB2 PRO 8 -8.491 0.237 -1.419 57 2HB PRO 8 HB1 PRO 8 -10.006 0.917 -2.018 58 1HG PRO 8 HG2 PRO 8 -8.663 -0.970 -3.384 59 2HG PRO 8 HG1 PRO 8 -9.572 0.311 -4.204 60 1HD PRO 8 HD2 PRO 8 -6.623 0.121 -3.677 61 2HD PRO 8 HD1 PRO 8 -7.461 0.614 -5.162 62 H THR 9 HN THR 9 -8.715 1.586 0.051 63 HA THR 9 HA THR 9 -6.076 2.448 0.942 64 HB THR 9 HB THR 9 -8.690 3.528 1.980 65 HG1 THR 9 HG1 THR 9 -7.607 4.587 0.207 66 1HG2 THR 9 HG21 THR 9 -6.815 4.862 3.402 67 2HG2 THR 9 HG22 THR 9 -6.145 3.232 3.395 68 3HG2 THR 9 HG23 THR 9 -7.770 3.512 4.015 69 H SER 10 HN SER 10 -8.415 0.102 1.008 70 HA SER 10 HA SER 10 -7.273 -0.988 3.480 71 1HB SER 10 HB2 SER 10 -9.881 -0.025 3.301 72 2HB SER 10 HB1 SER 10 -10.050 -1.772 3.173 73 HG SER 10 HG SER 10 -9.965 -0.705 5.366 74 H ILE 11 HN ILE 11 -6.416 -2.902 3.156 75 HA ILE 11 HA ILE 11 -7.742 -4.953 1.661 76 HB ILE 11 HB ILE 11 -5.921 -5.395 0.134 77 1HG1 ILE 11 HG12 ILE 11 -4.293 -3.305 -0.115 78 2HG1 ILE 11 HG11 ILE 11 -4.640 -3.154 1.599 79 1HG2 ILE 11 HG21 ILE 11 -7.803 -3.890 -0.515 80 2HG2 ILE 11 HG22 ILE 11 -6.324 -3.658 -1.446 81 3HG2 ILE 11 HG23 ILE 11 -6.747 -2.521 -0.166 82 1HD1 ILE 11 HD11 ILE 11 -2.904 -4.537 1.827 83 2HD1 ILE 11 HD12 ILE 11 -3.011 -5.111 0.163 84 3HD1 ILE 11 HD13 ILE 11 -4.062 -5.797 1.402 85 H SER 12 HN SER 12 -7.232 -6.925 2.527 86 HA SER 12 HA SER 12 -4.836 -7.027 4.226 87 1HB SER 12 HB2 SER 12 -6.726 -7.025 5.698 88 2HB SER 12 HB1 SER 12 -7.498 -8.310 4.782 89 HG SER 12 HG SER 12 -6.405 -9.034 6.694 90 H ALA 13 HN ALA 13 -4.067 -9.130 4.669 91 HA ALA 13 HA ALA 13 -4.690 -11.398 3.118 92 1HB ALA 13 HB1 ALA 13 -2.061 -10.593 2.156 93 2HB ALA 13 HB2 ALA 13 -3.345 -9.499 1.637 94 3HB ALA 13 HB3 ALA 13 -3.448 -11.221 1.265 95 H LYS 14 HN LYS 14 -3.399 -13.216 3.724 96 HA LYS 14 HA LYS 14 -2.104 -12.934 6.263 97 1HB LYS 14 HB2 LYS 14 -3.176 -15.011 5.956 98 2HB LYS 14 HB1 LYS 14 -2.489 -15.231 4.355 99 1HG LYS 14 HG2 LYS 14 -0.597 -15.093 6.625 100 2HG LYS 14 HG1 LYS 14 -1.604 -16.536 6.493 101 1HD LYS 14 HD2 LYS 14 -0.676 -16.042 3.903 102 2HD LYS 14 HD1 LYS 14 0.708 -15.769 4.958 103 1HE LYS 14 HE2 LYS 14 0.646 -17.945 5.801 104 2HE LYS 14 HE1 LYS 14 -1.008 -18.204 5.260 105 1HZ LYS 14 HZ1 LYS 14 0.957 -17.659 3.189 106 2HZ LYS 14 HZ2 LYS 14 -0.344 -18.733 3.185 107 3HZ LYS 14 HZ3 LYS 14 1.089 -19.156 3.969 108 H ALA 15 HN ALA 15 0.059 -12.564 6.642 109 HA ALA 15 HA ALA 15 1.671 -11.627 4.624 110 1HB ALA 15 HB1 ALA 15 3.314 -11.331 6.174 111 2HB ALA 15 HB2 ALA 15 3.100 -12.945 6.860 112 3HB ALA 15 HB3 ALA 15 1.973 -11.654 7.278 113 H GLY 16 HN GLY 16 2.027 -12.605 2.885 114 1HA GLY 16 HA2 GLY 16 3.809 -14.216 2.014 115 2HA GLY 16 HA1 GLY 16 2.861 -15.423 2.883 116 H SER 17 HN SER 17 0.311 -14.418 2.396 117 HA SER 17 HA SER 17 -0.147 -15.376 -0.264 118 1HB SER 17 HB2 SER 17 -2.501 -14.312 0.668 119 2HB SER 17 HB1 SER 17 -1.989 -15.977 0.900 120 HG SER 17 HG SER 17 -1.519 -13.806 2.663 121 H PHE 18 HN PHE 18 1.314 -12.804 0.424 122 HA PHE 18 HA PHE 18 -0.388 -10.808 -0.818 123 1HB PHE 18 HB2 PHE 18 2.060 -10.831 0.836 124 2HB PHE 18 HB1 PHE 18 1.780 -9.461 -0.201 125 HD1 PHE 18 HD1 PHE 18 -0.584 -8.351 -0.006 126 HD2 PHE 18 HD2 PHE 18 1.179 -10.852 2.941 127 HE1 PHE 18 HE1 PHE 18 -2.080 -7.392 1.698 128 HE2 PHE 18 HE2 PHE 18 -0.303 -9.903 4.649 129 HZ PHE 18 HZ PHE 18 -1.936 -8.172 4.031 130 H ALA 19 HN ALA 19 -0.164 -12.019 -2.883 131 HA ALA 19 HA ALA 19 2.338 -12.080 -4.239 132 1HB ALA 19 HB1 ALA 19 0.606 -12.166 -6.282 133 2HB ALA 19 HB2 ALA 19 -0.484 -12.584 -4.962 134 3HB ALA 19 HB3 ALA 19 0.951 -13.562 -5.258 135 H ASP 20 HN ASP 20 3.064 -10.716 -5.954 136 HA ASP 20 HA ASP 20 3.190 -8.074 -5.604 137 1HB ASP 20 HB2 ASP 20 4.413 -9.148 -7.397 138 2HB ASP 20 HB1 ASP 20 2.921 -9.452 -8.280 139 H THR 21 HN THR 21 1.831 -6.383 -5.488 140 HA THR 21 HA THR 21 -0.783 -6.683 -6.838 141 HB THR 21 HB THR 21 -0.360 -5.096 -4.314 142 HG1 THR 21 HG1 THR 21 -0.933 -6.874 -3.156 143 1HG2 THR 21 HG21 THR 21 -2.607 -4.926 -4.145 144 2HG2 THR 21 HG22 THR 21 -2.901 -6.457 -4.967 145 3HG2 THR 21 HG23 THR 21 -2.482 -5.021 -5.900 146 H LYS 22 HN LYS 22 -0.779 -5.370 -8.561 147 HA LYS 22 HA LYS 22 0.767 -3.018 -8.738 148 1HB LYS 22 HB2 LYS 22 -0.939 -4.578 -10.470 149 2HB LYS 22 HB1 LYS 22 -1.262 -2.861 -10.663 150 1HG LYS 22 HG2 LYS 22 1.563 -3.763 -10.663 151 2HG LYS 22 HG1 LYS 22 0.573 -4.091 -12.087 152 1HD LYS 22 HD2 LYS 22 1.045 -1.391 -10.826 153 2HD LYS 22 HD1 LYS 22 1.763 -1.979 -12.326 154 1HE LYS 22 HE2 LYS 22 -0.676 -2.309 -13.095 155 2HE LYS 22 HE1 LYS 22 -1.078 -1.230 -11.758 156 1HZ LYS 22 HZ1 LYS 22 0.567 0.352 -12.761 157 2HZ LYS 22 HZ2 LYS 22 -0.840 0.110 -13.659 158 3HZ LYS 22 HZ3 LYS 22 0.594 -0.640 -14.128 159 H ILE 23 HN ILE 23 -0.035 -0.915 -9.060 160 HA ILE 23 HA ILE 23 -2.625 -0.283 -7.891 161 HB ILE 23 HB ILE 23 0.001 0.562 -6.821 162 1HG1 ILE 23 HG12 ILE 23 -1.359 -1.463 -6.000 163 2HG1 ILE 23 HG11 ILE 23 -0.698 -0.356 -4.810 164 1HG2 ILE 23 HG21 ILE 23 -2.609 1.994 -6.580 165 2HG2 ILE 23 HG22 ILE 23 -1.023 2.649 -6.987 166 3HG2 ILE 23 HG23 ILE 23 -1.367 2.130 -5.338 167 1HD1 ILE 23 HD11 ILE 23 -3.417 0.223 -5.752 168 2HD1 ILE 23 HD12 ILE 23 -2.720 0.344 -4.136 169 3HD1 ILE 23 HD13 ILE 23 -3.215 -1.222 -4.769 170 H THR 24 HN THR 24 -3.459 1.741 -8.444 171 HA THR 24 HA THR 24 -2.012 3.110 -10.615 172 HB THR 24 HB THR 24 -4.219 1.909 -11.116 173 HG1 THR 24 HG1 THR 24 -4.152 3.190 -12.752 174 1HG2 THR 24 HG21 THR 24 -5.431 4.375 -9.909 175 2HG2 THR 24 HG22 THR 24 -5.433 2.796 -9.124 176 3HG2 THR 24 HG23 THR 24 -6.263 3.016 -10.667 177 H LEU 25 HN LEU 25 -1.267 5.045 -10.096 178 HA LEU 25 HA LEU 25 -2.541 6.545 -7.919 179 1HB LEU 25 HB2 LEU 25 0.178 6.053 -8.774 180 2HB LEU 25 HB1 LEU 25 -0.143 7.758 -8.565 181 HG LEU 25 HG LEU 25 -1.103 7.074 -6.264 182 1HD1 LEU 25 HD11 LEU 25 -0.833 4.580 -7.092 183 2HD1 LEU 25 HD12 LEU 25 -0.639 5.023 -5.396 184 3HD1 LEU 25 HD13 LEU 25 0.777 4.789 -6.412 185 1HD2 LEU 25 HD21 LEU 25 1.828 6.626 -6.379 186 2HD2 LEU 25 HD22 LEU 25 0.880 7.646 -5.296 187 3HD2 LEU 25 HD23 LEU 25 1.188 8.167 -6.952 188 H THR 26 HN THR 26 -4.205 7.567 -9.125 189 HA THR 26 HA THR 26 -3.703 8.941 -11.562 190 HB THR 26 HB THR 26 -5.972 9.386 -9.620 191 HG1 THR 26 HG1 THR 26 -5.635 7.518 -11.718 192 1HG2 THR 26 HG21 THR 26 -6.252 11.087 -11.123 193 2HG2 THR 26 HG22 THR 26 -7.150 9.787 -11.907 194 3HG2 THR 26 HG23 THR 26 -5.520 10.185 -12.450 195 HA PRO 27 HA PRO 27 -1.936 12.550 -9.508 196 1HB PRO 27 HB2 PRO 27 -0.251 13.194 -11.398 197 2HB PRO 27 HB1 PRO 27 -0.061 11.632 -10.592 198 1HG PRO 27 HG2 PRO 27 -1.351 12.228 -13.234 199 2HG PRO 27 HG1 PRO 27 -0.162 10.978 -12.839 200 1HD PRO 27 HD2 PRO 27 -2.898 10.574 -12.911 201 2HD PRO 27 HD1 PRO 27 -1.749 9.559 -12.020 202 H ASN 28 HN ASN 28 -4.108 12.308 -11.924 203 HA ASN 28 HA ASN 28 -4.268 14.304 -13.564 204 1HB ASN 28 HB2 ASN 28 -6.076 12.493 -12.641 205 2HB ASN 28 HB1 ASN 28 -6.797 14.006 -12.098 206 1HD2 ASN 28 HD21 ASN 28 -8.185 12.585 -13.858 207 2HD2 ASN 28 HD22 ASN 28 -8.140 13.307 -15.428 208 H GLY 29 HN GLY 29 -2.927 15.717 -12.286 209 1HA GLY 29 HA2 GLY 29 -3.161 18.129 -11.906 210 2HA GLY 29 HA1 GLY 29 -4.559 17.758 -10.913 211 H ASN 30 HN ASN 30 -3.153 15.449 -9.737 212 HA ASN 30 HA ASN 30 -1.543 16.921 -7.775 213 1HB ASN 30 HB2 ASN 30 -2.333 14.170 -7.135 214 2HB ASN 30 HB1 ASN 30 -2.471 15.633 -6.170 215 1HD2 ASN 30 HD21 ASN 30 -3.959 13.781 -8.759 216 2HD2 ASN 30 HD22 ASN 30 -5.555 14.404 -8.535 217 H THR 31 HN THR 31 0.244 15.641 -6.762 218 HA THR 31 HA THR 31 1.538 13.865 -8.714 219 HB THR 31 HB THR 31 2.653 15.979 -8.916 220 HG1 THR 31 HG1 THR 31 4.299 14.670 -8.975 221 1HG2 THR 31 HG21 THR 31 1.908 16.854 -6.662 222 2HG2 THR 31 HG22 THR 31 3.548 17.257 -7.169 223 3HG2 THR 31 HG23 THR 31 3.282 15.978 -5.987 224 H PHE 32 HN PHE 32 3.132 12.420 -7.809 225 HA PHE 32 HA PHE 32 2.716 11.869 -4.945 226 1HB PHE 32 HB2 PHE 32 1.471 10.196 -6.072 227 2HB PHE 32 HB1 PHE 32 2.739 9.947 -7.265 228 HD1 PHE 32 HD1 PHE 32 3.938 8.017 -7.069 229 HD2 PHE 32 HD2 PHE 32 2.374 9.823 -3.550 230 HE1 PHE 32 HE1 PHE 32 4.849 6.172 -5.726 231 HE2 PHE 32 HE2 PHE 32 3.287 7.982 -2.200 232 HZ PHE 32 HZ PHE 32 4.523 6.156 -3.286 233 H ASN 33 HN ASN 33 4.469 10.818 -3.855 234 HA ASN 33 HA ASN 33 7.062 11.162 -5.212 235 1HB ASN 33 HB2 ASN 33 6.098 12.341 -2.804 236 2HB ASN 33 HB1 ASN 33 7.397 11.227 -2.380 237 1HD2 ASN 33 HD21 ASN 33 6.570 13.894 -4.540 238 2HD2 ASN 33 HD22 ASN 33 8.170 14.538 -4.650 239 H GLY 34 HN GLY 34 5.806 9.544 -2.280 240 1HA GLY 34 HA2 GLY 34 6.307 6.919 -3.151 241 2HA GLY 34 HA1 GLY 34 7.723 7.488 -2.288 242 H ILE 35 HN ILE 35 6.381 5.321 -1.322 243 HA ILE 35 HA ILE 35 4.749 6.348 0.894 244 HB ILE 35 HB ILE 35 5.162 3.489 0.073 245 1HG1 ILE 35 HG12 ILE 35 2.594 3.880 -0.486 246 2HG1 ILE 35 HG11 ILE 35 3.147 5.533 -0.708 247 1HG2 ILE 35 HG21 ILE 35 3.063 4.602 1.898 248 2HG2 ILE 35 HG22 ILE 35 4.607 3.975 2.471 249 3HG2 ILE 35 HG23 ILE 35 3.483 2.912 1.625 250 1HD1 ILE 35 HD11 ILE 35 3.278 4.634 -2.828 251 2HD1 ILE 35 HD12 ILE 35 3.874 3.081 -2.243 252 3HD1 ILE 35 HD13 ILE 35 4.932 4.493 -2.238 253 H SER 36 HN SER 36 6.158 7.031 2.360 254 HA SER 36 HA SER 36 8.619 5.755 3.009 255 1HB SER 36 HB2 SER 36 7.061 8.037 4.026 256 2HB SER 36 HB1 SER 36 7.980 7.193 5.271 257 HG SER 36 HG SER 36 9.803 7.824 4.379 258 H GLU 37 HN GLU 37 5.340 5.295 4.048 259 HA GLU 37 HA GLU 37 5.709 3.973 6.456 260 1HB GLU 37 HB2 GLU 37 3.582 4.527 4.889 261 2HB GLU 37 HB1 GLU 37 3.768 2.817 4.545 262 1HG GLU 37 HG2 GLU 37 3.069 2.193 6.595 263 2HG GLU 37 HG1 GLU 37 3.836 3.568 7.390 264 H LEU 38 HN LEU 38 6.396 3.103 3.191 265 HA LEU 38 HA LEU 38 7.795 0.722 4.076 266 1HB LEU 38 HB2 LEU 38 6.831 -0.333 1.859 267 2HB LEU 38 HB1 LEU 38 5.985 -0.477 3.385 268 HG LEU 38 HG LEU 38 5.194 1.908 1.939 269 1HD1 LEU 38 HD11 LEU 38 4.312 1.045 0.004 270 2HD1 LEU 38 HD12 LEU 38 4.298 -0.603 0.617 271 3HD1 LEU 38 HD13 LEU 38 5.820 0.139 0.122 272 1HD2 LEU 38 HD21 LEU 38 3.402 1.491 3.177 273 2HD2 LEU 38 HD22 LEU 38 4.126 -0.022 3.715 274 3HD2 LEU 38 HD23 LEU 38 3.110 0.006 2.272 275 H GLN 39 HN GLN 39 9.685 1.785 3.634 276 HA GLN 39 HA GLN 39 10.589 3.455 1.891 277 1HB GLN 39 HB2 GLN 39 12.063 0.866 2.370 278 2HB GLN 39 HB1 GLN 39 12.767 2.422 1.951 279 1HG GLN 39 HG2 GLN 39 13.045 2.795 4.110 280 2HG GLN 39 HG1 GLN 39 11.290 2.896 4.262 281 1HE2 GLN 39 HE21 GLN 39 13.861 0.456 4.064 282 2HE2 GLN 39 HE22 GLN 39 13.194 -0.588 5.264 283 H SER 40 HN SER 40 9.532 3.540 0.168 284 HA SER 40 HA SER 40 8.485 2.559 -1.807 285 1HB SER 40 HB2 SER 40 10.202 3.488 -3.532 286 2HB SER 40 HB1 SER 40 9.411 4.596 -2.411 287 HG SER 40 HG SER 40 12.020 3.506 -2.220 288 H SER 41 HN SER 41 11.819 1.550 -1.312 289 HA SER 41 HA SER 41 12.141 -0.133 -3.469 290 1HB SER 41 HB2 SER 41 14.078 -0.583 -2.429 291 2HB SER 41 HB1 SER 41 13.498 0.330 -1.041 292 HG SER 41 HG SER 41 13.164 -2.445 -1.508 293 H GLN 42 HN GLN 42 10.069 -0.504 -0.736 294 HA GLN 42 HA GLN 42 9.683 -3.254 -0.686 295 1HB GLN 42 HB2 GLN 42 7.592 -1.153 -0.152 296 2HB GLN 42 HB1 GLN 42 7.732 -2.737 0.553 297 1HG GLN 42 HG2 GLN 42 9.259 -0.278 1.163 298 2HG GLN 42 HG1 GLN 42 8.464 -1.404 2.250 299 1HE2 GLN 42 HE21 GLN 42 11.373 -0.559 0.701 300 2HE2 GLN 42 HE22 GLN 42 12.341 -1.861 1.293 301 H TYR 43 HN TYR 43 8.418 -0.773 -2.737 302 HA TYR 43 HA TYR 43 6.901 -2.763 -4.290 303 1HB TYR 43 HB2 TYR 43 5.342 -0.948 -4.889 304 2HB TYR 43 HB1 TYR 43 5.378 -1.245 -3.155 305 HD1 TYR 43 HD1 TYR 43 7.043 0.932 -5.700 306 HD2 TYR 43 HD2 TYR 43 5.515 0.559 -1.748 307 HE1 TYR 43 HE1 TYR 43 7.532 3.304 -5.293 308 HE2 TYR 43 HE2 TYR 43 5.999 2.929 -1.338 309 HH TYR 43 HH TYR 43 6.948 5.088 -3.872 310 H THR 44 HN THR 44 6.262 -1.266 -6.401 311 HA THR 44 HA THR 44 8.781 -0.389 -7.597 312 HB THR 44 HB THR 44 6.808 -1.842 -9.297 313 HG1 THR 44 HG1 THR 44 8.438 -3.033 -7.340 314 1HG2 THR 44 HG21 THR 44 8.471 -1.945 -10.753 315 2HG2 THR 44 HG22 THR 44 9.581 -2.594 -9.546 316 3HG2 THR 44 HG23 THR 44 9.360 -0.851 -9.694 317 H LYS 45 HN LYS 45 8.142 1.714 -7.326 318 HA LYS 45 HA LYS 45 5.626 2.744 -8.114 319 1HB LYS 45 HB2 LYS 45 6.581 4.207 -6.661 320 2HB LYS 45 HB1 LYS 45 8.208 3.867 -7.214 321 1HG LYS 45 HG2 LYS 45 6.288 5.491 -8.848 322 2HG LYS 45 HG1 LYS 45 7.291 6.207 -7.586 323 1HD LYS 45 HD2 LYS 45 9.135 4.765 -8.959 324 2HD LYS 45 HD1 LYS 45 8.031 5.227 -10.255 325 1HE LYS 45 HE2 LYS 45 9.643 6.943 -10.145 326 2HE LYS 45 HE1 LYS 45 8.200 7.593 -9.369 327 1HZ LYS 45 HZ1 LYS 45 9.892 8.172 -7.928 328 2HZ LYS 45 HZ2 LYS 45 10.724 6.712 -8.128 329 3HZ LYS 45 HZ3 LYS 45 9.294 6.756 -7.224 330 H GLY 46 HN GLY 46 5.238 4.288 -9.765 331 1HA GLY 46 HA2 GLY 46 6.965 4.405 -12.063 332 2HA GLY 46 HA1 GLY 46 5.501 3.461 -12.310 333 H THR 47 HN THR 47 6.596 6.611 -11.103 334 HA THR 47 HA THR 47 5.113 8.477 -10.769 335 HB THR 47 HB THR 47 6.758 9.215 -12.251 336 HG1 THR 47 HG1 THR 47 4.434 9.587 -13.815 337 1HG2 THR 47 HG21 THR 47 6.513 8.710 -14.768 338 2HG2 THR 47 HG22 THR 47 5.560 7.328 -14.226 339 3HG2 THR 47 HG23 THR 47 7.239 7.500 -13.712 340 H ASN 48 HN ASN 48 3.013 8.263 -10.330 341 HA ASN 48 HA ASN 48 0.785 8.641 -10.857 342 1HB ASN 48 HB2 ASN 48 1.253 7.493 -13.608 343 2HB ASN 48 HB1 ASN 48 -0.103 8.461 -13.056 344 1HD2 ASN 48 HD21 ASN 48 1.076 9.245 -15.296 345 2HD2 ASN 48 HD22 ASN 48 2.031 10.661 -15.044 346 H GLU 49 HN GLU 49 2.655 5.863 -11.062 347 HA GLU 49 HA GLU 49 0.429 4.252 -10.117 348 1HB GLU 49 HB2 GLU 49 1.740 3.881 -12.739 349 2HB GLU 49 HB1 GLU 49 1.522 2.424 -11.782 350 1HG GLU 49 HG2 GLU 49 -0.729 2.455 -11.981 351 2HG GLU 49 HG1 GLU 49 -0.810 4.215 -12.052 352 H VAL 50 HN VAL 50 1.208 2.055 -9.427 353 HA VAL 50 HA VAL 50 4.023 1.765 -8.877 354 HB VAL 50 HB VAL 50 3.259 3.319 -7.061 355 1HG1 VAL 50 HG11 VAL 50 1.025 2.483 -6.691 356 2HG1 VAL 50 HG12 VAL 50 1.961 2.322 -5.205 357 3HG1 VAL 50 HG13 VAL 50 1.665 0.909 -6.215 358 1HG2 VAL 50 HG21 VAL 50 4.745 2.428 -5.598 359 2HG2 VAL 50 HG22 VAL 50 5.084 1.380 -6.974 360 3HG2 VAL 50 HG23 VAL 50 4.027 0.820 -5.680 361 H THR 51 HN THR 51 4.494 -0.258 -7.701 362 HA THR 51 HA THR 51 2.293 -2.194 -7.829 363 HB THR 51 HB THR 51 5.004 -2.510 -9.116 364 HG1 THR 51 HG1 THR 51 3.728 -1.578 -10.573 365 1HG2 THR 51 HG21 THR 51 2.819 -4.569 -8.918 366 2HG2 THR 51 HG22 THR 51 4.346 -4.614 -8.037 367 3HG2 THR 51 HG23 THR 51 4.339 -4.725 -9.799 368 H LEU 52 HN LEU 52 2.107 -3.138 -5.932 369 HA LEU 52 HA LEU 52 4.078 -3.082 -3.899 370 1HB LEU 52 HB2 LEU 52 1.481 -4.569 -4.271 371 2HB LEU 52 HB1 LEU 52 2.480 -4.800 -2.853 372 HG LEU 52 HG LEU 52 2.287 -2.333 -2.447 373 1HD1 LEU 52 HD11 LEU 52 0.099 -2.552 -4.500 374 2HD1 LEU 52 HD12 LEU 52 1.621 -1.683 -4.707 375 3HD1 LEU 52 HD13 LEU 52 0.452 -1.145 -3.501 376 1HD2 LEU 52 HD21 LEU 52 1.028 -3.823 -1.089 377 2HD2 LEU 52 HD22 LEU 52 -0.147 -4.090 -2.373 378 3HD2 LEU 52 HD23 LEU 52 -0.052 -2.521 -1.576 379 H LEU 53 HN LEU 53 5.634 -4.561 -3.403 380 HA LEU 53 HA LEU 53 5.791 -6.871 -5.176 381 1HB LEU 53 HB2 LEU 53 7.717 -5.017 -4.213 382 2HB LEU 53 HB1 LEU 53 8.148 -6.598 -3.589 383 HG LEU 53 HG LEU 53 7.701 -5.960 -6.507 384 1HD1 LEU 53 HD11 LEU 53 9.819 -5.323 -6.643 385 2HD1 LEU 53 HD12 LEU 53 10.360 -6.781 -5.813 386 3HD1 LEU 53 HD13 LEU 53 9.899 -5.356 -4.880 387 1HD2 LEU 53 HD21 LEU 53 7.963 -8.441 -5.011 388 2HD2 LEU 53 HD22 LEU 53 9.160 -8.285 -6.298 389 3HD2 LEU 53 HD23 LEU 53 7.440 -8.169 -6.674 390 H ALA 54 HN ALA 54 5.068 -8.695 -4.437 391 HA ALA 54 HA ALA 54 4.208 -9.385 -1.965 392 1HB ALA 54 HB1 ALA 54 4.475 -11.723 -2.622 393 2HB ALA 54 HB2 ALA 54 5.537 -11.229 -3.942 394 3HB ALA 54 HB3 ALA 54 3.841 -10.746 -3.947 395 H SER 55 HN SER 55 7.472 -8.847 -2.777 396 HA SER 55 HA SER 55 8.675 -10.651 -0.932 397 1HB SER 55 HB2 SER 55 9.592 -8.383 -2.618 398 2HB SER 55 HB1 SER 55 10.580 -8.771 -1.208 399 HG SER 55 HG SER 55 9.737 -10.796 -2.973 400 H TYR 56 HN TYR 56 7.894 -7.207 -0.819 401 HA TYR 56 HA TYR 56 8.837 -6.767 1.809 402 1HB TYR 56 HB2 TYR 56 8.628 -4.775 0.746 403 2HB TYR 56 HB1 TYR 56 7.320 -5.330 -0.265 404 HD1 TYR 56 HD1 TYR 56 7.629 -4.958 3.445 405 HD2 TYR 56 HD2 TYR 56 5.558 -3.874 -0.105 406 HE1 TYR 56 HE1 TYR 56 6.016 -3.667 4.782 407 HE2 TYR 56 HE2 TYR 56 3.940 -2.584 1.215 408 HH TYR 56 HH TYR 56 3.375 -2.929 4.267 409 H LEU 57 HN LEU 57 5.598 -6.891 0.476 410 HA LEU 57 HA LEU 57 4.182 -6.900 2.868 411 1HB LEU 57 HB2 LEU 57 2.738 -8.560 1.098 412 2HB LEU 57 HB1 LEU 57 2.452 -6.876 1.477 413 HG LEU 57 HG LEU 57 4.355 -7.789 -0.663 414 1HD1 LEU 57 HD11 LEU 57 2.266 -6.692 -1.994 415 2HD1 LEU 57 HD12 LEU 57 1.428 -7.513 -0.679 416 3HD1 LEU 57 HD13 LEU 57 2.490 -8.422 -1.754 417 1HD2 LEU 57 HD21 LEU 57 3.226 -5.207 -1.066 418 2HD2 LEU 57 HD22 LEU 57 4.913 -5.638 -0.790 419 3HD2 LEU 57 HD23 LEU 57 3.852 -5.292 0.572 420 H ASN 58 HN ASN 58 5.578 -9.610 1.094 421 HA ASN 58 HA ASN 58 4.444 -11.624 2.704 422 1HB ASN 58 HB2 ASN 58 5.366 -12.219 0.555 423 2HB ASN 58 HB1 ASN 58 6.958 -11.639 1.031 424 1HD2 ASN 58 HD21 ASN 58 5.377 -14.331 0.415 425 2HD2 ASN 58 HD22 ASN 58 6.126 -15.425 1.520 426 H THR 59 HN THR 59 7.178 -9.531 3.093 427 HA THR 59 HA THR 59 8.263 -11.078 5.300 428 HB THR 59 HB THR 59 9.792 -8.903 5.341 429 HG1 THR 59 HG1 THR 59 9.976 -8.225 3.082 430 1HG2 THR 59 HG21 THR 59 11.382 -10.079 4.265 431 2HG2 THR 59 HG22 THR 59 10.312 -10.530 2.937 432 3HG2 THR 59 HG23 THR 59 10.216 -11.386 4.476 433 H LEU 60 HN LEU 60 6.065 -8.490 4.838 434 HA LEU 60 HA LEU 60 6.341 -6.841 6.972 435 1HB LEU 60 HB2 LEU 60 4.073 -7.859 5.432 436 2HB LEU 60 HB1 LEU 60 3.644 -7.322 7.045 437 HG LEU 60 HG LEU 60 5.301 -5.519 5.342 438 1HD1 LEU 60 HD11 LEU 60 3.712 -5.036 3.854 439 2HD1 LEU 60 HD12 LEU 60 2.444 -5.047 5.080 440 3HD1 LEU 60 HD13 LEU 60 2.959 -6.559 4.332 441 1HD2 LEU 60 HD21 LEU 60 4.999 -4.372 7.241 442 2HD2 LEU 60 HD22 LEU 60 3.641 -5.377 7.748 443 3HD2 LEU 60 HD23 LEU 60 3.384 -4.057 6.609 444 HA PRO 61 HA PRO 61 6.342 -9.035 10.779 445 1HB PRO 61 HB2 PRO 61 4.403 -6.951 11.670 446 2HB PRO 61 HB1 PRO 61 5.907 -7.488 12.428 447 1HG PRO 61 HG2 PRO 61 5.808 -5.182 11.106 448 2HG PRO 61 HG1 PRO 61 7.234 -6.234 10.995 449 1HD PRO 61 HD2 PRO 61 5.055 -5.770 9.010 450 2HD PRO 61 HD1 PRO 61 6.782 -6.085 8.741 451 H GLU 62 HN GLU 62 4.756 -9.814 12.506 452 HA GLU 62 HA GLU 62 2.898 -11.551 11.385 453 1HB GLU 62 HB2 GLU 62 3.326 -10.543 14.186 454 2HB GLU 62 HB1 GLU 62 2.093 -11.734 13.813 455 1HG GLU 62 HG2 GLU 62 3.744 -13.152 14.333 456 2HG GLU 62 HG1 GLU 62 4.164 -12.917 12.641 457 H ASN 63 HN ASN 63 0.647 -11.465 12.842 458 HA ASN 63 HA ASN 63 -1.165 -10.228 11.418 459 1HB ASN 63 HB2 ASN 63 -2.624 -10.159 13.476 460 2HB ASN 63 HB1 ASN 63 -1.866 -11.712 13.135 461 1HD2 ASN 63 HD21 ASN 63 -1.933 -8.953 15.235 462 2HD2 ASN 63 HD22 ASN 63 -0.965 -9.632 16.494 463 H THR 64 HN THR 64 0.061 -8.243 10.827 464 HA THR 64 HA THR 64 -0.615 -6.030 12.663 465 HB THR 64 HB THR 64 1.299 -4.796 11.609 466 HG1 THR 64 HG1 THR 64 2.169 -7.328 10.720 467 1HG2 THR 64 HG21 THR 64 2.557 -7.216 12.727 468 2HG2 THR 64 HG22 THR 64 1.390 -6.378 13.750 469 3HG2 THR 64 HG23 THR 64 2.798 -5.516 13.128 470 H THR 65 HN THR 65 -0.893 -3.910 11.536 471 HA THR 65 HA THR 65 -2.164 -4.286 8.910 472 HB THR 65 HB THR 65 -3.111 -2.160 10.731 473 HG1 THR 65 HG1 THR 65 -3.504 -4.905 11.131 474 1HG2 THR 65 HG21 THR 65 -4.521 -1.996 9.019 475 2HG2 THR 65 HG22 THR 65 -5.303 -3.413 9.719 476 3HG2 THR 65 HG23 THR 65 -4.127 -3.607 8.419 477 H LYS 66 HN LYS 66 -0.060 -3.616 8.064 478 HA LYS 66 HA LYS 66 1.018 -1.066 8.591 479 1HB LYS 66 HB2 LYS 66 1.680 -3.340 7.053 480 2HB LYS 66 HB1 LYS 66 1.658 -1.964 5.964 481 1HG LYS 66 HG2 LYS 66 3.016 -0.932 8.068 482 2HG LYS 66 HG1 LYS 66 3.518 -2.627 8.120 483 1HD LYS 66 HD2 LYS 66 4.350 -2.544 5.921 484 2HD LYS 66 HD1 LYS 66 3.556 -1.009 5.594 485 1HE LYS 66 HE2 LYS 66 5.920 -1.527 7.383 486 2HE LYS 66 HE1 LYS 66 5.869 -0.550 5.918 487 1HZ LYS 66 HZ1 LYS 66 5.019 0.106 8.620 488 2HZ LYS 66 HZ2 LYS 66 4.031 0.679 7.375 489 3HZ LYS 66 HZ3 LYS 66 5.668 1.100 7.416 490 H THR 67 HN THR 67 1.354 0.404 6.585 491 HA THR 67 HA THR 67 -1.117 0.730 5.080 492 HB THR 67 HB THR 67 -0.081 2.662 7.130 493 HG1 THR 67 HG1 THR 67 -1.801 2.009 8.088 494 1HG2 THR 67 HG21 THR 67 -0.963 3.508 4.612 495 2HG2 THR 67 HG22 THR 67 -0.747 4.478 6.066 496 3HG2 THR 67 HG23 THR 67 -2.314 3.751 5.718 497 H LEU 68 HN LEU 68 -0.854 1.665 3.118 498 HA LEU 68 HA LEU 68 1.880 2.331 2.343 499 1HB LEU 68 HB2 LEU 68 -0.341 1.046 1.061 500 2HB LEU 68 HB1 LEU 68 0.152 2.431 0.110 501 HG LEU 68 HG LEU 68 2.526 1.093 0.778 502 1HD1 LEU 68 HD11 LEU 68 2.148 -1.164 -0.016 503 2HD1 LEU 68 HD12 LEU 68 0.424 -0.836 -0.189 504 3HD1 LEU 68 HD13 LEU 68 1.162 -0.845 1.408 505 1HD2 LEU 68 HD21 LEU 68 2.252 0.427 -1.744 506 2HD2 LEU 68 HD22 LEU 68 2.494 2.109 -1.272 507 3HD2 LEU 68 HD23 LEU 68 0.877 1.526 -1.658 508 H THR 69 HN THR 69 1.663 4.399 3.566 509 HA THR 69 HA THR 69 -0.162 6.391 2.694 510 HB THR 69 HB THR 69 2.377 6.507 4.308 511 HG1 THR 69 HG1 THR 69 1.040 6.547 5.985 512 1HG2 THR 69 HG21 THR 69 2.490 8.701 4.073 513 2HG2 THR 69 HG22 THR 69 0.888 8.819 4.808 514 3HG2 THR 69 HG23 THR 69 1.049 8.712 3.054 515 H PHE 70 HN PHE 70 -0.091 6.812 0.530 516 HA PHE 70 HA PHE 70 2.378 7.144 -0.882 517 1HB PHE 70 HB2 PHE 70 -0.517 7.596 -1.575 518 2HB PHE 70 HB1 PHE 70 0.770 8.027 -2.683 519 HD1 PHE 70 HD1 PHE 70 1.756 6.422 -4.061 520 HD2 PHE 70 HD2 PHE 70 -0.722 5.199 -0.833 521 HE1 PHE 70 HE1 PHE 70 1.789 4.119 -4.916 522 HE2 PHE 70 HE2 PHE 70 -0.691 2.887 -1.680 523 HZ PHE 70 HZ PHE 70 0.562 2.345 -3.724 524 H ASP 71 HN ASP 71 3.636 8.874 -0.547 525 HA ASP 71 HA ASP 71 2.643 11.326 0.499 526 1HB ASP 71 HB2 ASP 71 4.929 10.648 0.916 527 2HB ASP 71 HB1 ASP 71 5.284 10.681 -0.802 528 H PHE 72 HN PHE 72 1.131 12.180 -0.738 529 HA PHE 72 HA PHE 72 1.737 12.822 -3.536 530 1HB PHE 72 HB2 PHE 72 -0.741 12.318 -2.010 531 2HB PHE 72 HB1 PHE 72 -0.839 13.598 -3.212 532 HD1 PHE 72 HD1 PHE 72 -0.400 10.014 -2.660 533 HD2 PHE 72 HD2 PHE 72 -0.649 13.109 -5.569 534 HE1 PHE 72 HE1 PHE 72 -0.723 8.329 -4.421 535 HE2 PHE 72 HE2 PHE 72 -0.971 11.428 -7.334 536 HZ PHE 72 HZ PHE 72 -1.008 9.039 -6.760 537 H GLY 73 HN GLY 73 2.766 14.213 -1.074 538 1HA GLY 73 HA2 GLY 73 3.130 16.358 -0.338 539 2HA GLY 73 HA1 GLY 73 2.797 16.826 -1.999 540 H VAL 74 HN VAL 74 0.264 15.178 -0.404 541 HA VAL 74 HA VAL 74 -1.173 17.724 -0.091 542 HB VAL 74 HB VAL 74 -3.225 16.540 -0.455 543 1HG1 VAL 74 HG11 VAL 74 -1.834 15.194 -2.616 544 2HG1 VAL 74 HG12 VAL 74 -1.255 16.841 -2.369 545 3HG1 VAL 74 HG13 VAL 74 -2.966 16.545 -2.667 546 1HG2 VAL 74 HG21 VAL 74 -3.362 14.157 -0.797 547 2HG2 VAL 74 HG22 VAL 74 -2.581 14.471 0.746 548 3HG2 VAL 74 HG23 VAL 74 -1.612 13.996 -0.644 549 H GLY 75 HN GLY 75 -0.312 14.704 1.462 550 1HA GLY 75 HA2 GLY 75 -0.383 14.076 3.672 551 2HA GLY 75 HA1 GLY 75 -0.576 15.772 4.060 552 H THR 76 HN THR 76 -2.755 16.652 3.837 553 HA THR 76 HA THR 76 -4.608 15.384 5.408 554 HB THR 76 HB THR 76 -5.173 17.361 3.191 555 HG1 THR 76 HG1 THR 76 -4.528 17.722 5.927 556 1HG2 THR 76 HG21 THR 76 -6.920 17.961 5.163 557 2HG2 THR 76 HG22 THR 76 -6.889 16.199 5.260 558 3HG2 THR 76 HG23 THR 76 -7.306 16.992 3.741 559 H LYS 77 HN LYS 77 -4.961 15.719 1.869 560 HA LYS 77 HA LYS 77 -6.867 13.562 1.839 561 1HB LYS 77 HB2 LYS 77 -5.785 15.037 -0.547 562 2HB LYS 77 HB1 LYS 77 -7.300 14.149 -0.421 563 1HG LYS 77 HG2 LYS 77 -8.007 15.852 1.298 564 2HG LYS 77 HG1 LYS 77 -6.591 16.790 0.818 565 1HD LYS 77 HD2 LYS 77 -7.973 15.995 -1.531 566 2HD LYS 77 HD1 LYS 77 -9.146 16.689 -0.409 567 1HE LYS 77 HE2 LYS 77 -6.553 18.091 -0.852 568 2HE LYS 77 HE1 LYS 77 -7.810 18.211 -2.083 569 1HZ LYS 77 HZ1 LYS 77 -7.686 19.921 -0.142 570 2HZ LYS 77 HZ2 LYS 77 -8.518 18.722 0.715 571 3HZ LYS 77 HZ3 LYS 77 -9.187 19.368 -0.694 572 H ASN 78 HN ASN 78 -3.755 13.418 2.186 573 HA ASN 78 HA ASN 78 -2.687 11.941 0.070 574 1HB ASN 78 HB2 ASN 78 -1.659 12.926 2.336 575 2HB ASN 78 HB1 ASN 78 -1.843 11.248 2.838 576 1HD2 ASN 78 HD21 ASN 78 0.098 10.389 2.771 577 2HD2 ASN 78 HD22 ASN 78 1.195 10.473 1.441 578 HA PRO 79 HA PRO 79 -5.329 8.334 0.701 579 1HB PRO 79 HB2 PRO 79 -4.092 7.354 -1.759 580 2HB PRO 79 HB1 PRO 79 -5.784 7.727 -1.425 581 1HG PRO 79 HG2 PRO 79 -4.241 9.244 -3.060 582 2HG PRO 79 HG1 PRO 79 -5.576 9.907 -2.104 583 1HD PRO 79 HD2 PRO 79 -2.633 10.025 -1.587 584 2HD PRO 79 HD1 PRO 79 -3.875 11.265 -1.322 585 H LYS 80 HN LYS 80 -4.310 7.410 2.434 586 HA LYS 80 HA LYS 80 -1.831 5.923 1.954 587 1HB LYS 80 HB2 LYS 80 -2.130 5.571 4.551 588 2HB LYS 80 HB1 LYS 80 -1.487 7.076 3.912 589 1HG LYS 80 HG2 LYS 80 -3.606 8.164 4.174 590 2HG LYS 80 HG1 LYS 80 -4.380 6.643 4.623 591 1HD LYS 80 HD2 LYS 80 -3.527 6.675 6.732 592 2HD LYS 80 HD1 LYS 80 -2.042 7.490 6.234 593 1HE LYS 80 HE2 LYS 80 -2.882 9.514 6.677 594 2HE LYS 80 HE1 LYS 80 -4.419 9.143 5.899 595 1HZ LYS 80 HZ1 LYS 80 -4.767 9.573 8.221 596 2HZ LYS 80 HZ2 LYS 80 -3.621 8.411 8.664 597 3HZ LYS 80 HZ3 LYS 80 -5.065 7.934 7.921 598 H LEU 81 HN LEU 81 -2.015 3.868 1.394 599 HA LEU 81 HA LEU 81 -4.441 2.415 1.599 600 1HB LEU 81 HB2 LEU 81 -1.946 2.132 0.284 601 2HB LEU 81 HB1 LEU 81 -2.207 0.671 1.217 602 HG LEU 81 HG LEU 81 -4.133 1.795 -0.813 603 1HD1 LEU 81 HD11 LEU 81 -1.956 -0.228 -0.959 604 2HD1 LEU 81 HD12 LEU 81 -2.446 0.982 -2.139 605 3HD1 LEU 81 HD13 LEU 81 -3.418 -0.466 -1.915 606 1HD2 LEU 81 HD21 LEU 81 -4.241 -0.462 1.105 607 2HD2 LEU 81 HD22 LEU 81 -4.931 -0.705 -0.496 608 3HD2 LEU 81 HD23 LEU 81 -5.528 0.591 0.527 609 H THR 82 HN THR 82 -4.768 0.404 2.753 610 HA THR 82 HA THR 82 -3.202 0.282 5.243 611 HB THR 82 HB THR 82 -6.130 -0.424 4.961 612 HG1 THR 82 HG1 THR 82 -6.122 1.728 4.770 613 1HG2 THR 82 HG21 THR 82 -6.030 -0.034 7.480 614 2HG2 THR 82 HG22 THR 82 -4.285 -0.216 7.306 615 3HG2 THR 82 HG23 THR 82 -5.359 -1.537 6.852 616 H ILE 83 HN ILE 83 -1.850 -1.372 4.804 617 HA ILE 83 HA ILE 83 -2.922 -3.820 3.628 618 HB ILE 83 HB ILE 83 -0.725 -2.695 2.891 619 1HG1 ILE 83 HG12 ILE 83 0.102 -5.423 3.331 620 2HG1 ILE 83 HG11 ILE 83 -1.600 -5.366 2.911 621 1HG2 ILE 83 HG21 ILE 83 1.182 -2.914 4.122 622 2HG2 ILE 83 HG22 ILE 83 0.575 -4.300 5.028 623 3HG2 ILE 83 HG23 ILE 83 -0.004 -2.675 5.404 624 1HD1 ILE 83 HD11 ILE 83 0.496 -3.942 1.303 625 2HD1 ILE 83 HD12 ILE 83 -1.156 -4.333 0.844 626 3HD1 ILE 83 HD13 ILE 83 0.033 -5.617 1.004 627 H THR 84 HN THR 84 -3.793 -5.225 4.984 628 HA THR 84 HA THR 84 -2.750 -5.443 7.703 629 HB THR 84 HB THR 84 -5.149 -6.951 6.774 630 HG1 THR 84 HG1 THR 84 -6.365 -5.014 7.330 631 1HG2 THR 84 HG21 THR 84 -4.124 -6.953 9.159 632 2HG2 THR 84 HG22 THR 84 -5.872 -6.856 8.946 633 3HG2 THR 84 HG23 THR 84 -4.944 -5.401 9.305 634 H VAL 85 HN VAL 85 -1.107 -6.816 7.879 635 HA VAL 85 HA VAL 85 -1.026 -9.217 6.265 636 HB VAL 85 HB VAL 85 1.200 -9.429 7.564 637 1HG1 VAL 85 HG11 VAL 85 0.409 -7.985 5.210 638 2HG1 VAL 85 HG12 VAL 85 1.846 -8.967 5.483 639 3HG1 VAL 85 HG13 VAL 85 1.841 -7.263 5.933 640 1HG2 VAL 85 HG21 VAL 85 1.046 -6.476 7.783 641 2HG2 VAL 85 HG22 VAL 85 2.070 -7.618 8.654 642 3HG2 VAL 85 HG23 VAL 85 0.365 -7.464 9.074 643 H LEU 86 HN LEU 86 -2.342 -10.744 7.088 644 HA LEU 86 HA LEU 86 -2.779 -11.139 9.874 645 1HB LEU 86 HB2 LEU 86 -3.599 -12.448 7.349 646 2HB LEU 86 HB1 LEU 86 -3.628 -13.454 8.784 647 HG LEU 86 HG LEU 86 -4.905 -10.900 9.274 648 1HD1 LEU 86 HD11 LEU 86 -6.785 -11.104 7.820 649 2HD1 LEU 86 HD12 LEU 86 -6.169 -12.612 7.145 650 3HD1 LEU 86 HD13 LEU 86 -5.329 -11.095 6.825 651 1HD2 LEU 86 HD21 LEU 86 -6.823 -12.644 9.695 652 2HD2 LEU 86 HD22 LEU 86 -5.449 -12.528 10.793 653 3HD2 LEU 86 HD23 LEU 86 -5.499 -13.803 9.575 654 HA PRO 87 HA PRO 87 0.406 -13.974 10.961 655 1HB PRO 87 HB2 PRO 87 -0.837 -15.894 12.395 656 2HB PRO 87 HB1 PRO 87 -0.645 -14.241 12.989 657 1HG PRO 87 HG2 PRO 87 -3.029 -15.538 11.734 658 2HG PRO 87 HG1 PRO 87 -2.953 -14.447 13.129 659 1HD PRO 87 HD2 PRO 87 -3.657 -13.629 10.626 660 2HD PRO 87 HD1 PRO 87 -2.870 -12.567 11.807 661 H LYS 88 HN LYS 88 1.522 -15.439 9.849 662 HA LYS 88 HA LYS 88 0.635 -16.811 7.650 663 1HB LYS 88 HB2 LYS 88 3.033 -16.463 8.498 664 2HB LYS 88 HB1 LYS 88 2.786 -17.933 9.431 665 1HG LYS 88 HG2 LYS 88 2.439 -19.212 7.434 666 2HG LYS 88 HG1 LYS 88 2.480 -17.751 6.444 667 1HD LYS 88 HD2 LYS 88 4.760 -18.893 8.058 668 2HD LYS 88 HD1 LYS 88 4.603 -18.918 6.299 669 1HE LYS 88 HE2 LYS 88 5.696 -16.982 6.255 670 2HE LYS 88 HE1 LYS 88 4.292 -16.242 7.022 671 1HZ LYS 88 HZ1 LYS 88 5.722 -17.459 9.045 672 2HZ LYS 88 HZ2 LYS 88 5.595 -15.801 8.744 673 3HZ LYS 88 HZ3 LYS 88 6.879 -16.685 8.085 674 H ASP 89 HN ASP 89 0.495 -19.191 7.316 675 HA ASP 89 HA ASP 89 -1.534 -20.279 8.958 676 1HB ASP 89 HB2 ASP 89 -0.438 -22.336 7.370 677 2HB ASP 89 HB1 ASP 89 -1.897 -21.406 7.068 678 H ILE 90 HN ILE 90 -1.414 -22.457 9.940 679 HA ILE 90 HA ILE 90 1.216 -23.300 10.844 680 HB ILE 90 HB ILE 90 -0.941 -22.553 12.818 681 1HG1 ILE 90 HG12 ILE 90 0.208 -20.597 11.821 682 2HG1 ILE 90 HG11 ILE 90 0.549 -20.776 13.540 683 1HG2 ILE 90 HG21 ILE 90 1.595 -24.057 13.026 684 2HG2 ILE 90 HG22 ILE 90 0.098 -24.227 13.939 685 3HG2 ILE 90 HG23 ILE 90 1.222 -22.926 14.325 686 1HD1 ILE 90 HD11 ILE 90 2.486 -22.141 11.859 687 2HD1 ILE 90 HD12 ILE 90 2.730 -20.998 13.182 688 3HD1 ILE 90 HD13 ILE 90 2.399 -20.407 11.553 689 HA PRO 91 HA PRO 91 -1.920 -26.698 10.089 690 1HB PRO 91 HB2 PRO 91 -0.386 -28.102 8.342 691 2HB PRO 91 HB1 PRO 91 -1.477 -26.805 7.837 692 1HG PRO 91 HG2 PRO 91 1.476 -26.728 8.284 693 2HG PRO 91 HG1 PRO 91 0.524 -26.009 6.972 694 1HD PRO 91 HD2 PRO 91 1.422 -24.563 9.076 695 2HD PRO 91 HD1 PRO 91 -0.104 -24.199 8.253 696 H GLY 92 HN GLY 92 -1.602 -29.048 10.466 697 1HA GLY 92 HA2 GLY 92 0.003 -30.777 11.198 698 2HA GLY 92 HA1 GLY 92 0.729 -29.538 12.209 699 H LEU 93 HN LEU 93 -2.726 -29.866 11.828 700 HA LEU 93 HA LEU 93 -2.895 -31.013 14.533 701 1HB LEU 93 HB2 LEU 93 -3.555 -28.403 13.861 702 2HB LEU 93 HB1 LEU 93 -5.100 -29.235 13.867 703 HG LEU 93 HG LEU 93 -3.939 -30.112 16.207 704 1HD1 LEU 93 HD11 LEU 93 -3.297 -27.924 17.306 705 2HD1 LEU 93 HD12 LEU 93 -3.130 -27.268 15.679 706 3HD1 LEU 93 HD13 LEU 93 -2.119 -28.619 16.193 707 1HD2 LEU 93 HD21 LEU 93 -6.190 -29.572 16.244 708 2HD2 LEU 93 HD22 LEU 93 -5.929 -27.985 15.524 709 3HD2 LEU 93 HD23 LEU 93 -5.477 -28.276 17.204 710 H GLU 94 HN GLU 94 -3.097 -32.309 11.947 711 HA GLU 94 HA GLU 94 -4.387 -33.820 10.842 712 1HB GLU 94 HB2 GLU 94 -5.104 -33.983 13.629 713 2HB GLU 94 HB1 GLU 94 -6.503 -34.340 12.627 714 1HG GLU 94 HG2 GLU 94 -5.203 -36.339 13.249 715 2HG GLU 94 HG1 GLU 94 -5.330 -36.102 11.506 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -5.806 21.434 -1.010 2 2H MET 1 HT2 MET 1 -4.485 20.760 -1.873 3 3H MET 1 HT3 MET 1 -6.020 19.996 -1.920 4 HA MET 1 HA MET 1 -6.894 22.066 -2.921 5 1HB MET 1 HB2 MET 1 -3.915 22.550 -3.123 6 2HB MET 1 HB1 MET 1 -5.117 23.432 -4.058 7 1HG MET 1 HG2 MET 1 -6.126 23.872 -1.651 8 2HG MET 1 HG1 MET 1 -4.449 23.600 -1.177 9 1HE MET 1 HE1 MET 1 -2.653 24.561 -3.146 10 2HE MET 1 HE2 MET 1 -2.770 26.226 -3.718 11 3HE MET 1 HE3 MET 1 -3.684 24.949 -4.524 12 H GLN 2 HN GLN 2 -4.496 19.633 -3.462 13 HA GLN 2 HA GLN 2 -4.770 19.577 -6.324 14 1HB GLN 2 HB2 GLN 2 -3.690 17.314 -4.665 15 2HB GLN 2 HB1 GLN 2 -3.242 17.795 -6.297 16 1HG GLN 2 HG2 GLN 2 -2.601 19.267 -3.754 17 2HG GLN 2 HG1 GLN 2 -1.479 18.347 -4.753 18 1HE2 GLN 2 HE21 GLN 2 -1.322 19.099 -7.049 19 2HE2 GLN 2 HE22 GLN 2 -1.315 20.805 -7.321 20 H ASP 3 HN ASP 3 -5.192 17.186 -7.214 21 HA ASP 3 HA ASP 3 -7.530 16.012 -5.916 22 1HB ASP 3 HB2 ASP 3 -8.638 15.957 -8.246 23 2HB ASP 3 HB1 ASP 3 -8.671 17.475 -7.352 24 HA PRO 4 HA PRO 4 -4.809 12.830 -7.862 25 1HB PRO 4 HB2 PRO 4 -3.893 11.637 -5.657 26 2HB PRO 4 HB1 PRO 4 -3.189 13.149 -6.234 27 1HG PRO 4 HG2 PRO 4 -5.057 12.668 -3.966 28 2HG PRO 4 HG1 PRO 4 -3.751 13.858 -4.117 29 1HD PRO 4 HD2 PRO 4 -6.497 14.327 -4.515 30 2HD PRO 4 HD1 PRO 4 -5.169 15.413 -4.964 31 H THR 5 HN THR 5 -5.612 10.880 -8.462 32 HA THR 5 HA THR 5 -7.878 9.859 -6.903 33 HB THR 5 HB THR 5 -7.492 10.175 -9.674 34 HG1 THR 5 HG1 THR 5 -9.438 10.113 -8.188 35 1HG2 THR 5 HG21 THR 5 -6.413 7.875 -9.548 36 2HG2 THR 5 HG22 THR 5 -7.754 8.080 -10.672 37 3HG2 THR 5 HG23 THR 5 -8.016 7.277 -9.126 38 H ILE 6 HN ILE 6 -7.858 7.925 -5.907 39 HA ILE 6 HA ILE 6 -5.515 6.186 -6.315 40 HB ILE 6 HB ILE 6 -5.225 7.494 -4.249 41 1HG1 ILE 6 HG12 ILE 6 -5.152 5.414 -2.674 42 2HG1 ILE 6 HG11 ILE 6 -5.657 4.527 -4.107 43 1HG2 ILE 6 HG21 ILE 6 -7.897 6.299 -3.592 44 2HG2 ILE 6 HG22 ILE 6 -7.391 7.987 -3.520 45 3HG2 ILE 6 HG23 ILE 6 -6.791 6.834 -2.326 46 1HD1 ILE 6 HD11 ILE 6 -3.668 5.508 -5.282 47 2HD1 ILE 6 HD12 ILE 6 -3.311 4.363 -3.991 48 3HD1 ILE 6 HD13 ILE 6 -3.131 6.093 -3.706 49 H ASN 7 HN ASN 7 -5.864 3.994 -6.178 50 HA ASN 7 HA ASN 7 -8.484 3.093 -6.646 51 1HB ASN 7 HB2 ASN 7 -7.302 0.767 -6.225 52 2HB ASN 7 HB1 ASN 7 -7.102 1.677 -7.706 53 1HD2 ASN 7 HD21 ASN 7 -5.614 2.770 -4.754 54 2HD2 ASN 7 HD22 ASN 7 -3.995 2.383 -5.202 55 HA PRO 8 HA PRO 8 -9.533 1.635 -2.696 56 1HB PRO 8 HB2 PRO 8 -8.399 -0.395 -1.516 57 2HB PRO 8 HB1 PRO 8 -9.147 -0.611 -3.075 58 1HG PRO 8 HG2 PRO 8 -6.274 -0.495 -2.342 59 2HG PRO 8 HG1 PRO 8 -7.062 -1.363 -3.671 60 1HD PRO 8 HD2 PRO 8 -5.761 1.169 -3.770 61 2HD PRO 8 HD1 PRO 8 -6.635 0.340 -5.069 62 H THR 9 HN THR 9 -8.881 0.937 -0.176 63 HA THR 9 HA THR 9 -6.716 2.685 0.684 64 HB THR 9 HB THR 9 -9.578 2.941 1.596 65 HG1 THR 9 HG1 THR 9 -9.430 4.259 -0.060 66 1HG2 THR 9 HG21 THR 9 -8.736 3.537 3.573 67 2HG2 THR 9 HG22 THR 9 -8.276 5.022 2.743 68 3HG2 THR 9 HG23 THR 9 -7.103 3.720 2.938 69 H SER 10 HN SER 10 -8.217 -0.272 0.962 70 HA SER 10 HA SER 10 -6.575 -1.003 3.159 71 1HB SER 10 HB2 SER 10 -8.807 -1.691 4.507 72 2HB SER 10 HB1 SER 10 -7.939 -0.180 4.775 73 HG SER 10 HG SER 10 -10.295 -0.627 3.292 74 H ILE 11 HN ILE 11 -6.376 -3.152 3.446 75 HA ILE 11 HA ILE 11 -8.268 -5.046 2.407 76 HB ILE 11 HB ILE 11 -6.435 -6.217 1.074 77 1HG1 ILE 11 HG12 ILE 11 -5.269 -3.441 1.237 78 2HG1 ILE 11 HG11 ILE 11 -4.514 -4.945 1.748 79 1HG2 ILE 11 HG21 ILE 11 -7.231 -5.312 -0.887 80 2HG2 ILE 11 HG22 ILE 11 -7.259 -3.672 -0.243 81 3HG2 ILE 11 HG23 ILE 11 -8.481 -4.838 0.256 82 1HD1 ILE 11 HD11 ILE 11 -3.698 -5.306 -0.274 83 2HD1 ILE 11 HD12 ILE 11 -4.213 -3.670 -0.684 84 3HD1 ILE 11 HD13 ILE 11 -5.268 -5.040 -1.030 85 H SER 12 HN SER 12 -7.349 -7.354 2.764 86 HA SER 12 HA SER 12 -5.421 -7.421 4.964 87 1HB SER 12 HB2 SER 12 -7.527 -9.272 5.568 88 2HB SER 12 HB1 SER 12 -6.931 -7.927 6.537 89 HG SER 12 HG SER 12 -8.461 -6.633 5.721 90 H ALA 13 HN ALA 13 -4.166 -9.236 5.041 91 HA ALA 13 HA ALA 13 -4.847 -11.693 3.814 92 1HB ALA 13 HB1 ALA 13 -4.180 -11.419 1.717 93 2HB ALA 13 HB2 ALA 13 -2.581 -10.920 2.268 94 3HB ALA 13 HB3 ALA 13 -3.855 -9.718 2.054 95 H LYS 14 HN LYS 14 -3.316 -13.317 4.199 96 HA LYS 14 HA LYS 14 -1.596 -12.876 6.433 97 1HB LYS 14 HB2 LYS 14 -2.596 -15.024 6.286 98 2HB LYS 14 HB1 LYS 14 -2.088 -15.231 4.616 99 1HG LYS 14 HG2 LYS 14 0.132 -14.869 6.469 100 2HG LYS 14 HG1 LYS 14 -0.847 -16.293 6.804 101 1HD LYS 14 HD2 LYS 14 0.109 -15.679 4.030 102 2HD LYS 14 HD1 LYS 14 1.132 -16.537 5.184 103 1HE LYS 14 HE2 LYS 14 -1.663 -17.421 4.535 104 2HE LYS 14 HE1 LYS 14 -0.264 -17.958 3.604 105 1HZ LYS 14 HZ1 LYS 14 -1.187 -18.844 6.154 106 2HZ LYS 14 HZ2 LYS 14 0.429 -18.368 6.221 107 3HZ LYS 14 HZ3 LYS 14 -0.057 -19.551 5.116 108 H ALA 15 HN ALA 15 0.735 -13.053 6.472 109 HA ALA 15 HA ALA 15 1.955 -11.716 4.328 110 1HB ALA 15 HB1 ALA 15 3.859 -13.213 5.931 111 2HB ALA 15 HB2 ALA 15 2.701 -12.330 6.920 112 3HB ALA 15 HB3 ALA 15 3.681 -11.467 5.732 113 H GLY 16 HN GLY 16 1.990 -12.500 2.453 114 1HA GLY 16 HA2 GLY 16 3.533 -14.001 1.104 115 2HA GLY 16 HA1 GLY 16 2.768 -15.302 2.021 116 H SER 17 HN SER 17 0.172 -14.247 2.135 117 HA SER 17 HA SER 17 -0.827 -15.067 -0.395 118 1HB SER 17 HB2 SER 17 -2.833 -13.726 1.030 119 2HB SER 17 HB1 SER 17 -2.552 -15.459 0.976 120 HG SER 17 HG SER 17 -1.663 -13.579 2.873 121 H PHE 18 HN PHE 18 0.847 -12.475 0.210 122 HA PHE 18 HA PHE 18 -0.872 -10.488 -1.007 123 1HB PHE 18 HB2 PHE 18 1.769 -10.441 0.395 124 2HB PHE 18 HB1 PHE 18 1.159 -9.056 -0.467 125 HD1 PHE 18 HD1 PHE 18 -1.417 -8.518 0.160 126 HD2 PHE 18 HD2 PHE 18 1.432 -10.458 2.648 127 HE1 PHE 18 HE1 PHE 18 -2.707 -7.860 2.149 128 HE2 PHE 18 HE2 PHE 18 0.148 -9.805 4.639 129 HZ PHE 18 HZ PHE 18 -1.920 -8.506 4.392 130 H ALA 19 HN ALA 19 -0.772 -11.695 -3.059 131 HA ALA 19 HA ALA 19 1.685 -11.977 -4.457 132 1HB ALA 19 HB1 ALA 19 -0.532 -13.166 -4.922 133 2HB ALA 19 HB2 ALA 19 0.414 -12.644 -6.312 134 3HB ALA 19 HB3 ALA 19 -0.984 -11.706 -5.800 135 H ASP 20 HN ASP 20 2.381 -10.750 -6.330 136 HA ASP 20 HA ASP 20 2.880 -8.155 -6.026 137 1HB ASP 20 HB2 ASP 20 3.642 -9.529 -7.960 138 2HB ASP 20 HB1 ASP 20 2.064 -9.295 -8.705 139 H THR 21 HN THR 21 1.614 -6.544 -5.394 140 HA THR 21 HA THR 21 -1.043 -6.306 -6.645 141 HB THR 21 HB THR 21 -0.277 -5.081 -4.003 142 HG1 THR 21 HG1 THR 21 -0.724 -6.903 -3.000 143 1HG2 THR 21 HG21 THR 21 -2.729 -5.306 -5.553 144 2HG2 THR 21 HG22 THR 21 -2.312 -4.215 -4.231 145 3HG2 THR 21 HG23 THR 21 -2.898 -5.844 -3.882 146 H LYS 22 HN LYS 22 -1.021 -4.789 -8.165 147 HA LYS 22 HA LYS 22 0.704 -2.499 -7.851 148 1HB LYS 22 HB2 LYS 22 0.857 -3.650 -9.972 149 2HB LYS 22 HB1 LYS 22 -0.863 -3.459 -10.215 150 1HG LYS 22 HG2 LYS 22 -0.613 -1.057 -10.381 151 2HG LYS 22 HG1 LYS 22 1.110 -1.201 -10.050 152 1HD LYS 22 HD2 LYS 22 -0.024 -2.749 -12.323 153 2HD LYS 22 HD1 LYS 22 0.186 -1.009 -12.519 154 1HE LYS 22 HE2 LYS 22 2.164 -2.057 -13.324 155 2HE LYS 22 HE1 LYS 22 2.562 -1.317 -11.775 156 1HZ LYS 22 HZ1 LYS 22 1.677 -4.085 -11.692 157 2HZ LYS 22 HZ2 LYS 22 2.888 -3.309 -10.802 158 3HZ LYS 22 HZ3 LYS 22 3.192 -3.811 -12.389 159 H ILE 23 HN ILE 23 0.016 -0.467 -7.687 160 HA ILE 23 HA ILE 23 -2.870 -0.026 -7.443 161 HB ILE 23 HB ILE 23 -0.667 0.646 -5.675 162 1HG1 ILE 23 HG12 ILE 23 -3.643 0.360 -5.471 163 2HG1 ILE 23 HG11 ILE 23 -2.402 -0.714 -4.857 164 1HG2 ILE 23 HG21 ILE 23 -1.709 2.799 -4.919 165 2HG2 ILE 23 HG22 ILE 23 -2.639 2.792 -6.416 166 3HG2 ILE 23 HG23 ILE 23 -0.878 2.876 -6.472 167 1HD1 ILE 23 HD11 ILE 23 -2.702 2.067 -3.802 168 2HD1 ILE 23 HD12 ILE 23 -1.911 0.676 -3.060 169 3HD1 ILE 23 HD13 ILE 23 -3.669 0.727 -3.185 170 H THR 24 HN THR 24 -3.645 2.115 -8.036 171 HA THR 24 HA THR 24 -1.893 3.418 -10.015 172 HB THR 24 HB THR 24 -4.905 3.293 -10.151 173 HG1 THR 24 HG1 THR 24 -4.542 1.702 -11.765 174 1HG2 THR 24 HG21 THR 24 -2.865 4.594 -11.754 175 2HG2 THR 24 HG22 THR 24 -4.611 4.836 -11.717 176 3HG2 THR 24 HG23 THR 24 -3.921 3.541 -12.696 177 H LEU 25 HN LEU 25 -1.254 5.345 -9.309 178 HA LEU 25 HA LEU 25 -3.119 6.912 -7.643 179 1HB LEU 25 HB2 LEU 25 -0.333 6.307 -7.420 180 2HB LEU 25 HB1 LEU 25 -0.527 8.035 -7.620 181 HG LEU 25 HG LEU 25 -1.966 6.404 -5.536 182 1HD1 LEU 25 HD11 LEU 25 0.741 7.460 -5.616 183 2HD1 LEU 25 HD12 LEU 25 0.009 6.291 -4.525 184 3HD1 LEU 25 HD13 LEU 25 -0.182 8.018 -4.223 185 1HD2 LEU 25 HD21 LEU 25 -1.737 9.090 -4.790 186 2HD2 LEU 25 HD22 LEU 25 -3.195 8.234 -5.296 187 3HD2 LEU 25 HD23 LEU 25 -2.225 9.103 -6.484 188 H THR 26 HN THR 26 -4.281 8.038 -9.132 189 HA THR 26 HA THR 26 -3.187 9.119 -11.508 190 HB THR 26 HB THR 26 -5.755 9.708 -10.051 191 HG1 THR 26 HG1 THR 26 -5.229 7.587 -11.145 192 1HG2 THR 26 HG21 THR 26 -5.552 11.601 -11.369 193 2HG2 THR 26 HG22 THR 26 -6.484 10.492 -12.374 194 3HG2 THR 26 HG23 THR 26 -4.763 10.719 -12.678 195 HA PRO 27 HA PRO 27 -1.521 12.847 -9.552 196 1HB PRO 27 HB2 PRO 27 0.531 13.093 -11.083 197 2HB PRO 27 HB1 PRO 27 0.372 11.551 -10.220 198 1HG PRO 27 HG2 PRO 27 -0.522 12.191 -13.015 199 2HG PRO 27 HG1 PRO 27 0.572 10.928 -12.498 200 1HD PRO 27 HD2 PRO 27 -2.090 10.509 -12.835 201 2HD PRO 27 HD1 PRO 27 -1.105 9.591 -11.672 202 H ASN 28 HN ASN 28 -3.447 12.455 -12.030 203 HA ASN 28 HA ASN 28 -3.165 14.064 -14.068 204 1HB ASN 28 HB2 ASN 28 -5.260 12.825 -12.959 205 2HB ASN 28 HB1 ASN 28 -5.711 14.496 -12.655 206 1HD2 ASN 28 HD21 ASN 28 -5.249 12.043 -15.037 207 2HD2 ASN 28 HD22 ASN 28 -5.911 12.914 -16.375 208 H GLY 29 HN GLY 29 -3.081 15.075 -10.913 209 1HA GLY 29 HA2 GLY 29 -2.554 17.817 -11.640 210 2HA GLY 29 HA1 GLY 29 -4.044 17.617 -10.724 211 H ASN 30 HN ASN 30 -1.665 15.318 -9.996 212 HA ASN 30 HA ASN 30 -0.597 16.831 -7.757 213 1HB ASN 30 HB2 ASN 30 -1.359 14.045 -7.208 214 2HB ASN 30 HB1 ASN 30 -1.481 15.470 -6.201 215 1HD2 ASN 30 HD21 ASN 30 -2.931 14.127 -9.153 216 2HD2 ASN 30 HD22 ASN 30 -4.544 14.617 -8.779 217 H THR 31 HN THR 31 1.112 15.476 -6.626 218 HA THR 31 HA THR 31 2.607 13.870 -8.584 219 HB THR 31 HB THR 31 3.716 15.994 -8.479 220 HG1 THR 31 HG1 THR 31 5.059 14.111 -8.335 221 1HG2 THR 31 HG21 THR 31 2.803 16.858 -6.397 222 2HG2 THR 31 HG22 THR 31 4.564 16.970 -6.423 223 3HG2 THR 31 HG23 THR 31 3.773 15.700 -5.485 224 H PHE 32 HN PHE 32 4.128 12.357 -7.626 225 HA PHE 32 HA PHE 32 3.268 11.468 -4.952 226 1HB PHE 32 HB2 PHE 32 2.583 9.911 -6.720 227 2HB PHE 32 HB1 PHE 32 4.250 9.785 -7.268 228 HD1 PHE 32 HD1 PHE 32 4.299 7.397 -7.006 229 HD2 PHE 32 HD2 PHE 32 3.428 9.934 -3.703 230 HE1 PHE 32 HE1 PHE 32 4.677 5.516 -5.470 231 HE2 PHE 32 HE2 PHE 32 3.809 8.057 -2.160 232 HZ PHE 32 HZ PHE 32 4.433 5.847 -3.045 233 H ASN 33 HN ASN 33 4.778 11.203 -3.422 234 HA ASN 33 HA ASN 33 7.561 11.720 -4.150 235 1HB ASN 33 HB2 ASN 33 5.889 12.169 -1.725 236 2HB ASN 33 HB1 ASN 33 7.606 11.893 -1.498 237 1HD2 ASN 33 HD21 ASN 33 8.673 13.150 -3.678 238 2HD2 ASN 33 HD22 ASN 33 8.351 14.843 -3.590 239 H GLY 34 HN GLY 34 5.514 9.500 -2.302 240 1HA GLY 34 HA2 GLY 34 6.455 7.108 -2.798 241 2HA GLY 34 HA1 GLY 34 7.804 7.724 -1.857 242 H ILE 35 HN ILE 35 6.445 5.477 -1.023 243 HA ILE 35 HA ILE 35 4.678 6.422 1.124 244 HB ILE 35 HB ILE 35 5.169 3.534 0.546 245 1HG1 ILE 35 HG12 ILE 35 3.046 5.179 -0.816 246 2HG1 ILE 35 HG11 ILE 35 4.577 4.767 -1.581 247 1HG2 ILE 35 HG21 ILE 35 3.794 3.445 2.299 248 2HG2 ILE 35 HG22 ILE 35 2.527 3.898 1.158 249 3HG2 ILE 35 HG23 ILE 35 3.326 5.137 2.127 250 1HD1 ILE 35 HD11 ILE 35 3.155 3.155 -2.393 251 2HD1 ILE 35 HD12 ILE 35 2.284 3.006 -0.868 252 3HD1 ILE 35 HD13 ILE 35 3.905 2.333 -1.029 253 H SER 36 HN SER 36 6.073 7.127 2.661 254 HA SER 36 HA SER 36 8.433 5.730 3.464 255 1HB SER 36 HB2 SER 36 8.450 8.008 4.056 256 2HB SER 36 HB1 SER 36 6.800 7.960 4.676 257 HG SER 36 HG SER 36 7.559 7.428 6.555 258 H GLU 37 HN GLU 37 5.079 5.417 4.179 259 HA GLU 37 HA GLU 37 5.060 4.152 6.636 260 1HB GLU 37 HB2 GLU 37 3.225 4.658 4.713 261 2HB GLU 37 HB1 GLU 37 3.455 2.938 4.462 262 1HG GLU 37 HG2 GLU 37 2.448 2.379 6.411 263 2HG GLU 37 HG1 GLU 37 3.009 3.832 7.240 264 H LEU 38 HN LEU 38 6.173 3.184 3.527 265 HA LEU 38 HA LEU 38 7.576 0.918 4.606 266 1HB LEU 38 HB2 LEU 38 6.716 -0.374 2.501 267 2HB LEU 38 HB1 LEU 38 5.788 -0.378 3.981 268 HG LEU 38 HG LEU 38 4.713 1.771 2.722 269 1HD1 LEU 38 HD11 LEU 38 4.751 1.660 0.483 270 2HD1 LEU 38 HD12 LEU 38 4.726 -0.098 0.464 271 3HD1 LEU 38 HD13 LEU 38 6.240 0.757 0.735 272 1HD2 LEU 38 HD21 LEU 38 3.800 -0.509 3.723 273 2HD2 LEU 38 HD22 LEU 38 3.601 -0.878 2.009 274 3HD2 LEU 38 HD23 LEU 38 2.808 0.531 2.705 275 H GLN 39 HN GLN 39 9.515 1.747 4.054 276 HA GLN 39 HA GLN 39 10.447 3.419 2.318 277 1HB GLN 39 HB2 GLN 39 11.916 2.183 3.798 278 2HB GLN 39 HB1 GLN 39 11.706 0.732 2.832 279 1HG GLN 39 HG2 GLN 39 13.311 1.331 1.426 280 2HG GLN 39 HG1 GLN 39 12.625 2.943 1.222 281 1HE2 GLN 39 HE21 GLN 39 12.847 4.128 3.564 282 2HE2 GLN 39 HE22 GLN 39 14.491 4.212 4.092 283 H SER 40 HN SER 40 9.242 3.581 0.684 284 HA SER 40 HA SER 40 8.066 2.511 -1.240 285 1HB SER 40 HB2 SER 40 9.343 3.836 -3.016 286 2HB SER 40 HB1 SER 40 8.695 4.738 -1.647 287 HG SER 40 HG SER 40 10.783 4.646 -0.706 288 H SER 41 HN SER 41 11.533 1.910 -1.031 289 HA SER 41 HA SER 41 11.924 0.507 -3.371 290 1HB SER 41 HB2 SER 41 13.354 0.882 -0.962 291 2HB SER 41 HB1 SER 41 13.315 -0.852 -1.254 292 HG SER 41 HG SER 41 14.995 0.692 -2.309 293 H GLN 42 HN GLN 42 10.013 -0.388 -0.672 294 HA GLN 42 HA GLN 42 10.044 -3.183 -0.943 295 1HB GLN 42 HB2 GLN 42 8.632 -3.094 0.788 296 2HB GLN 42 HB1 GLN 42 9.059 -1.408 0.839 297 1HG GLN 42 HG2 GLN 42 6.875 -1.056 0.819 298 2HG GLN 42 HG1 GLN 42 6.958 -1.405 -0.892 299 1HE2 GLN 42 HE21 GLN 42 6.211 -3.369 -1.663 300 2HE2 GLN 42 HE22 GLN 42 5.248 -4.434 -0.704 301 H TYR 43 HN TYR 43 8.343 -0.659 -2.534 302 HA TYR 43 HA TYR 43 6.820 -2.611 -4.128 303 1HB TYR 43 HB2 TYR 43 5.229 -0.811 -4.613 304 2HB TYR 43 HB1 TYR 43 5.367 -1.110 -2.886 305 HD1 TYR 43 HD1 TYR 43 5.339 0.741 -1.557 306 HD2 TYR 43 HD2 TYR 43 7.037 1.070 -5.444 307 HE1 TYR 43 HE1 TYR 43 5.760 3.127 -1.168 308 HE2 TYR 43 HE2 TYR 43 7.465 3.460 -5.062 309 HH TYR 43 HH TYR 43 6.746 5.262 -3.690 310 H THR 44 HN THR 44 6.084 -1.164 -6.205 311 HA THR 44 HA THR 44 8.514 -0.217 -7.513 312 HB THR 44 HB THR 44 6.572 -1.798 -9.121 313 HG1 THR 44 HG1 THR 44 8.439 -2.964 -7.335 314 1HG2 THR 44 HG21 THR 44 9.575 -1.664 -9.111 315 2HG2 THR 44 HG22 THR 44 8.495 -0.828 -10.226 316 3HG2 THR 44 HG23 THR 44 8.589 -2.588 -10.243 317 H LYS 45 HN LYS 45 7.849 1.842 -7.368 318 HA LYS 45 HA LYS 45 5.259 2.784 -8.012 319 1HB LYS 45 HB2 LYS 45 6.442 4.221 -6.624 320 2HB LYS 45 HB1 LYS 45 7.924 4.071 -7.552 321 1HG LYS 45 HG2 LYS 45 6.896 5.414 -9.348 322 2HG LYS 45 HG1 LYS 45 5.457 5.608 -8.343 323 1HD LYS 45 HD2 LYS 45 6.782 6.734 -6.635 324 2HD LYS 45 HD1 LYS 45 8.243 6.502 -7.598 325 1HE LYS 45 HE2 LYS 45 7.222 7.853 -9.398 326 2HE LYS 45 HE1 LYS 45 5.825 8.139 -8.362 327 1HZ LYS 45 HZ1 LYS 45 8.496 8.805 -7.346 328 2HZ LYS 45 HZ2 LYS 45 7.002 9.522 -6.998 329 3HZ LYS 45 HZ3 LYS 45 7.773 9.847 -8.469 330 H GLY 46 HN GLY 46 4.829 4.386 -9.721 331 1HA GLY 46 HA2 GLY 46 6.361 4.110 -12.176 332 2HA GLY 46 HA1 GLY 46 4.714 3.494 -12.210 333 H THR 47 HN THR 47 6.491 6.383 -11.177 334 HA THR 47 HA THR 47 5.728 8.558 -10.976 335 HB THR 47 HB THR 47 6.949 8.599 -13.015 336 HG1 THR 47 HG1 THR 47 4.456 9.809 -13.595 337 1HG2 THR 47 HG21 THR 47 6.157 6.791 -14.279 338 2HG2 THR 47 HG22 THR 47 5.747 8.232 -15.210 339 3HG2 THR 47 HG23 THR 47 4.503 7.404 -14.271 340 H ASN 48 HN ASN 48 3.616 6.884 -10.328 341 HA ASN 48 HA ASN 48 1.497 8.433 -10.038 342 1HB ASN 48 HB2 ASN 48 -0.078 7.579 -11.926 343 2HB ASN 48 HB1 ASN 48 0.967 8.943 -12.231 344 1HD2 ASN 48 HD21 ASN 48 0.869 5.433 -12.492 345 2HD2 ASN 48 HD22 ASN 48 1.749 5.347 -13.974 346 H GLU 49 HN GLU 49 2.550 5.308 -10.952 347 HA GLU 49 HA GLU 49 0.383 4.135 -9.343 348 1HB GLU 49 HB2 GLU 49 1.912 3.028 -11.685 349 2HB GLU 49 HB1 GLU 49 0.952 2.012 -10.627 350 1HG GLU 49 HG2 GLU 49 -0.718 4.125 -11.348 351 2HG GLU 49 HG1 GLU 49 0.128 3.669 -12.822 352 H VAL 50 HN VAL 50 0.905 2.242 -8.082 353 HA VAL 50 HA VAL 50 3.732 1.804 -7.545 354 HB VAL 50 HB VAL 50 3.535 3.339 -5.896 355 1HG1 VAL 50 HG11 VAL 50 1.622 4.003 -4.733 356 2HG1 VAL 50 HG12 VAL 50 0.806 2.470 -5.027 357 3HG1 VAL 50 HG13 VAL 50 1.032 3.613 -6.349 358 1HG2 VAL 50 HG21 VAL 50 3.859 0.845 -5.055 359 2HG2 VAL 50 HG22 VAL 50 2.401 1.240 -4.145 360 3HG2 VAL 50 HG23 VAL 50 3.856 2.216 -3.947 361 H THR 51 HN THR 51 4.122 -0.259 -7.407 362 HA THR 51 HA THR 51 1.908 -2.047 -6.621 363 HB THR 51 HB THR 51 2.833 -2.033 -9.055 364 HG1 THR 51 HG1 THR 51 2.601 -4.490 -7.661 365 1HG2 THR 51 HG21 THR 51 4.689 -4.140 -8.140 366 2HG2 THR 51 HG22 THR 51 5.228 -2.466 -8.016 367 3HG2 THR 51 HG23 THR 51 4.739 -3.121 -9.579 368 H LEU 52 HN LEU 52 2.180 -3.291 -4.905 369 HA LEU 52 HA LEU 52 4.747 -3.343 -3.569 370 1HB LEU 52 HB2 LEU 52 2.501 -5.014 -2.593 371 2HB LEU 52 HB1 LEU 52 3.633 -4.022 -1.703 372 HG LEU 52 HG LEU 52 1.063 -3.234 -2.991 373 1HD1 LEU 52 HD11 LEU 52 0.450 -3.234 -0.864 374 2HD1 LEU 52 HD12 LEU 52 1.549 -1.882 -0.593 375 3HD1 LEU 52 HD13 LEU 52 2.106 -3.535 -0.339 376 1HD2 LEU 52 HD21 LEU 52 3.512 -1.597 -2.781 377 2HD2 LEU 52 HD22 LEU 52 2.011 -0.842 -2.255 378 3HD2 LEU 52 HD23 LEU 52 2.153 -1.468 -3.897 379 H LEU 53 HN LEU 53 6.132 -5.049 -3.487 380 HA LEU 53 HA LEU 53 5.494 -7.251 -5.269 381 1HB LEU 53 HB2 LEU 53 8.063 -6.411 -3.929 382 2HB LEU 53 HB1 LEU 53 7.919 -7.867 -4.893 383 HG LEU 53 HG LEU 53 7.017 -5.398 -6.225 384 1HD1 LEU 53 HD11 LEU 53 9.616 -5.546 -4.944 385 2HD1 LEU 53 HD12 LEU 53 8.808 -4.178 -5.708 386 3HD1 LEU 53 HD13 LEU 53 9.734 -5.316 -6.687 387 1HD2 LEU 53 HD21 LEU 53 7.071 -7.485 -7.421 388 2HD2 LEU 53 HD22 LEU 53 8.764 -7.732 -6.991 389 3HD2 LEU 53 HD23 LEU 53 8.311 -6.418 -8.078 390 H ALA 54 HN ALA 54 4.536 -8.942 -4.497 391 HA ALA 54 HA ALA 54 3.865 -9.734 -2.059 392 1HB ALA 54 HB1 ALA 54 3.601 -11.940 -2.855 393 2HB ALA 54 HB2 ALA 54 4.906 -11.750 -4.027 394 3HB ALA 54 HB3 ALA 54 3.387 -10.883 -4.251 395 H SER 55 HN SER 55 7.137 -9.781 -3.185 396 HA SER 55 HA SER 55 8.110 -11.726 -1.361 397 1HB SER 55 HB2 SER 55 9.513 -9.569 -2.941 398 2HB SER 55 HB1 SER 55 10.365 -10.742 -1.939 399 HG SER 55 HG SER 55 9.968 -12.265 -3.362 400 H TYR 56 HN TYR 56 8.106 -8.178 -1.307 401 HA TYR 56 HA TYR 56 9.389 -8.048 1.243 402 1HB TYR 56 HB2 TYR 56 9.519 -6.190 -0.352 403 2HB TYR 56 HB1 TYR 56 7.779 -5.957 -0.232 404 HD1 TYR 56 HD1 TYR 56 6.792 -5.161 1.918 405 HD2 TYR 56 HD2 TYR 56 10.994 -5.280 1.263 406 HE1 TYR 56 HE1 TYR 56 7.126 -3.621 3.807 407 HE2 TYR 56 HE2 TYR 56 11.339 -3.742 3.151 408 HH TYR 56 HH TYR 56 10.224 -2.194 4.491 409 H LEU 57 HN LEU 57 6.103 -7.313 0.150 410 HA LEU 57 HA LEU 57 4.957 -6.868 2.613 411 1HB LEU 57 HB2 LEU 57 4.032 -6.972 0.049 412 2HB LEU 57 HB1 LEU 57 3.233 -8.360 0.771 413 HG LEU 57 HG LEU 57 2.571 -6.732 2.652 414 1HD1 LEU 57 HD11 LEU 57 2.227 -4.394 1.595 415 2HD1 LEU 57 HD12 LEU 57 3.543 -4.871 0.523 416 3HD1 LEU 57 HD13 LEU 57 3.802 -4.811 2.267 417 1HD2 LEU 57 HD21 LEU 57 0.642 -7.207 1.645 418 2HD2 LEU 57 HD22 LEU 57 1.409 -7.284 0.059 419 3HD2 LEU 57 HD23 LEU 57 0.869 -5.736 0.703 420 H ASN 58 HN ASN 58 5.570 -9.939 0.980 421 HA ASN 58 HA ASN 58 4.173 -11.534 2.851 422 1HB ASN 58 HB2 ASN 58 4.716 -12.502 0.725 423 2HB ASN 58 HB1 ASN 58 6.428 -12.163 0.940 424 1HD2 ASN 58 HD21 ASN 58 7.176 -14.211 0.782 425 2HD2 ASN 58 HD22 ASN 58 6.807 -15.464 1.910 426 H THR 59 HN THR 59 7.237 -9.965 2.876 427 HA THR 59 HA THR 59 8.324 -11.570 5.012 428 HB THR 59 HB THR 59 9.332 -9.030 3.728 429 HG1 THR 59 HG1 THR 59 10.006 -10.335 2.255 430 1HG2 THR 59 HG21 THR 59 11.552 -9.902 4.671 431 2HG2 THR 59 HG22 THR 59 10.544 -10.803 5.804 432 3HG2 THR 59 HG23 THR 59 10.456 -9.043 5.752 433 H LEU 60 HN LEU 60 6.537 -8.617 4.677 434 HA LEU 60 HA LEU 60 7.070 -7.076 6.792 435 1HB LEU 60 HB2 LEU 60 4.518 -7.949 5.578 436 2HB LEU 60 HB1 LEU 60 4.412 -7.129 7.123 437 HG LEU 60 HG LEU 60 4.186 -5.691 5.051 438 1HD1 LEU 60 HD11 LEU 60 4.624 -4.773 7.274 439 2HD1 LEU 60 HD12 LEU 60 5.464 -3.855 6.024 440 3HD1 LEU 60 HD13 LEU 60 6.357 -5.000 7.027 441 1HD2 LEU 60 HD21 LEU 60 5.968 -5.228 3.694 442 2HD2 LEU 60 HD22 LEU 60 6.240 -6.936 4.030 443 3HD2 LEU 60 HD23 LEU 60 7.158 -5.709 4.903 444 HA PRO 61 HA PRO 61 6.980 -9.189 10.644 445 1HB PRO 61 HB2 PRO 61 5.354 -6.932 11.685 446 2HB PRO 61 HB1 PRO 61 6.903 -7.564 12.255 447 1HG PRO 61 HG2 PRO 61 6.776 -5.261 10.923 448 2HG PRO 61 HG1 PRO 61 8.117 -6.392 10.668 449 1HD PRO 61 HD2 PRO 61 5.725 -5.870 8.953 450 2HD PRO 61 HD1 PRO 61 7.405 -6.196 8.478 451 H GLU 62 HN GLU 62 5.392 -9.696 12.509 452 HA GLU 62 HA GLU 62 3.344 -11.317 11.618 453 1HB GLU 62 HB2 GLU 62 4.463 -10.628 14.082 454 2HB GLU 62 HB1 GLU 62 2.752 -10.247 14.239 455 1HG GLU 62 HG2 GLU 62 3.080 -12.797 12.973 456 2HG GLU 62 HG1 GLU 62 3.984 -12.743 14.485 457 H ASN 63 HN ASN 63 1.138 -10.780 13.099 458 HA ASN 63 HA ASN 63 -0.586 -9.648 11.490 459 1HB ASN 63 HB2 ASN 63 -0.640 -9.442 14.493 460 2HB ASN 63 HB1 ASN 63 -2.029 -9.144 13.453 461 1HD2 ASN 63 HD21 ASN 63 -2.242 -11.035 11.754 462 2HD2 ASN 63 HD22 ASN 63 -2.255 -12.610 12.462 463 H THR 64 HN THR 64 0.761 -7.923 10.527 464 HA THR 64 HA THR 64 0.598 -5.384 12.013 465 HB THR 64 HB THR 64 2.180 -4.619 10.119 466 HG1 THR 64 HG1 THR 64 2.696 -7.392 9.951 467 1HG2 THR 64 HG21 THR 64 3.339 -6.714 11.926 468 2HG2 THR 64 HG22 THR 64 2.867 -5.112 12.492 469 3HG2 THR 64 HG23 THR 64 4.124 -5.281 11.265 470 H THR 65 HN THR 65 0.289 -3.452 10.520 471 HA THR 65 HA THR 65 -1.805 -4.080 8.549 472 HB THR 65 HB THR 65 -1.791 -1.473 9.954 473 HG1 THR 65 HG1 THR 65 -2.999 -3.724 11.148 474 1HG2 THR 65 HG21 THR 65 -3.545 -2.737 8.232 475 2HG2 THR 65 HG22 THR 65 -3.858 -1.286 9.184 476 3HG2 THR 65 HG23 THR 65 -4.307 -2.872 9.817 477 H LYS 66 HN LYS 66 0.157 -4.071 7.128 478 HA LYS 66 HA LYS 66 1.722 -1.915 6.580 479 1HB LYS 66 HB2 LYS 66 0.979 -4.413 5.372 480 2HB LYS 66 HB1 LYS 66 1.128 -3.174 4.145 481 1HG LYS 66 HG2 LYS 66 3.185 -4.305 5.958 482 2HG LYS 66 HG1 LYS 66 3.263 -4.003 4.221 483 1HD LYS 66 HD2 LYS 66 4.488 -2.241 4.841 484 2HD LYS 66 HD1 LYS 66 2.947 -1.485 5.153 485 1HE LYS 66 HE2 LYS 66 3.421 -1.323 7.322 486 2HE LYS 66 HE1 LYS 66 3.770 -3.047 7.418 487 1HZ LYS 66 HZ1 LYS 66 5.567 -0.907 7.532 488 2HZ LYS 66 HZ2 LYS 66 5.910 -1.787 6.130 489 3HZ LYS 66 HZ3 LYS 66 5.905 -2.563 7.633 490 H THR 67 HN THR 67 1.135 0.082 6.128 491 HA THR 67 HA THR 67 -1.259 0.470 4.466 492 HB THR 67 HB THR 67 -0.080 2.224 6.612 493 HG1 THR 67 HG1 THR 67 -1.445 1.086 7.711 494 1HG2 THR 67 HG21 THR 67 -2.643 3.069 5.560 495 2HG2 THR 67 HG22 THR 67 -1.341 3.213 4.381 496 3HG2 THR 67 HG23 THR 67 -1.206 4.015 5.946 497 H LEU 68 HN LEU 68 -1.054 1.449 2.569 498 HA LEU 68 HA LEU 68 1.557 2.341 1.733 499 1HB LEU 68 HB2 LEU 68 -1.031 1.727 0.357 500 2HB LEU 68 HB1 LEU 68 0.279 2.506 -0.465 501 HG LEU 68 HG LEU 68 0.651 -0.120 0.911 502 1HD1 LEU 68 HD11 LEU 68 -1.163 0.203 -1.081 503 2HD1 LEU 68 HD12 LEU 68 -0.287 -1.286 -0.748 504 3HD1 LEU 68 HD13 LEU 68 0.292 -0.178 -1.989 505 1HD2 LEU 68 HD21 LEU 68 2.586 1.354 0.163 506 2HD2 LEU 68 HD22 LEU 68 2.087 0.974 -1.481 507 3HD2 LEU 68 HD23 LEU 68 2.590 -0.313 -0.392 508 H THR 69 HN THR 69 1.524 4.330 3.032 509 HA THR 69 HA THR 69 -0.438 6.326 2.293 510 HB THR 69 HB THR 69 1.821 6.225 4.269 511 HG1 THR 69 HG1 THR 69 -0.456 5.532 4.642 512 1HG2 THR 69 HG21 THR 69 0.868 8.589 4.899 513 2HG2 THR 69 HG22 THR 69 0.556 8.674 3.166 514 3HG2 THR 69 HG23 THR 69 2.197 8.410 3.755 515 H PHE 70 HN PHE 70 0.028 6.557 0.068 516 HA PHE 70 HA PHE 70 2.622 7.220 -0.896 517 1HB PHE 70 HB2 PHE 70 0.087 8.007 -2.303 518 2HB PHE 70 HB1 PHE 70 1.601 7.439 -2.984 519 HD1 PHE 70 HD1 PHE 70 -1.677 6.543 -2.015 520 HD2 PHE 70 HD2 PHE 70 2.237 4.988 -2.561 521 HE1 PHE 70 HE1 PHE 70 -2.609 4.274 -2.181 522 HE2 PHE 70 HE2 PHE 70 1.313 2.713 -2.730 523 HZ PHE 70 HZ PHE 70 -1.107 2.357 -2.541 524 H ASP 71 HN ASP 71 3.632 9.017 -0.250 525 HA ASP 71 HA ASP 71 2.267 11.345 0.638 526 1HB ASP 71 HB2 ASP 71 4.480 10.803 1.473 527 2HB ASP 71 HB1 ASP 71 5.152 10.959 -0.140 528 H PHE 72 HN PHE 72 0.999 12.274 -0.789 529 HA PHE 72 HA PHE 72 2.013 12.920 -3.453 530 1HB PHE 72 HB2 PHE 72 -0.608 12.363 -2.323 531 2HB PHE 72 HB1 PHE 72 -0.610 13.834 -3.288 532 HD1 PHE 72 HD1 PHE 72 -1.583 13.375 -5.311 533 HD2 PHE 72 HD2 PHE 72 1.189 10.597 -3.684 534 HE1 PHE 72 HE1 PHE 72 -1.728 12.034 -7.367 535 HE2 PHE 72 HE2 PHE 72 1.053 9.255 -5.739 536 HZ PHE 72 HZ PHE 72 -0.406 9.972 -7.582 537 H GLY 73 HN GLY 73 2.829 14.276 -0.932 538 1HA GLY 73 HA2 GLY 73 3.271 16.407 -0.203 539 2HA GLY 73 HA1 GLY 73 3.011 16.896 -1.869 540 H VAL 74 HN VAL 74 0.314 15.353 -0.514 541 HA VAL 74 HA VAL 74 -0.962 17.968 -0.066 542 HB VAL 74 HB VAL 74 -3.112 16.786 -0.541 543 1HG1 VAL 74 HG11 VAL 74 -1.061 17.591 -2.367 544 2HG1 VAL 74 HG12 VAL 74 -2.814 17.737 -2.523 545 3HG1 VAL 74 HG13 VAL 74 -1.996 16.271 -3.073 546 1HG2 VAL 74 HG21 VAL 74 -3.028 14.623 -1.684 547 2HG2 VAL 74 HG22 VAL 74 -2.381 14.511 -0.050 548 3HG2 VAL 74 HG23 VAL 74 -1.286 14.554 -1.429 549 H GLY 75 HN GLY 75 -0.545 14.701 1.170 550 1HA GLY 75 HA2 GLY 75 -0.784 13.885 3.305 551 2HA GLY 75 HA1 GLY 75 -0.955 15.536 3.855 552 H THR 76 HN THR 76 -3.093 16.529 3.367 553 HA THR 76 HA THR 76 -5.132 15.302 4.704 554 HB THR 76 HB THR 76 -5.406 17.268 2.424 555 HG1 THR 76 HG1 THR 76 -4.912 17.561 5.184 556 1HG2 THR 76 HG21 THR 76 -7.597 16.855 2.721 557 2HG2 THR 76 HG22 THR 76 -7.379 17.937 4.098 558 3HG2 THR 76 HG23 THR 76 -7.369 16.189 4.338 559 H LYS 77 HN LYS 77 -5.061 15.605 1.148 560 HA LYS 77 HA LYS 77 -6.982 13.466 0.918 561 1HB LYS 77 HB2 LYS 77 -6.708 13.985 -1.574 562 2HB LYS 77 HB1 LYS 77 -7.451 15.215 -0.559 563 1HG LYS 77 HG2 LYS 77 -4.565 15.504 -0.729 564 2HG LYS 77 HG1 LYS 77 -5.358 15.589 -2.303 565 1HD LYS 77 HD2 LYS 77 -6.507 17.126 -0.023 566 2HD LYS 77 HD1 LYS 77 -5.058 17.740 -0.821 567 1HE LYS 77 HE2 LYS 77 -6.161 18.233 -2.738 568 2HE LYS 77 HE1 LYS 77 -7.264 16.868 -2.580 569 1HZ LYS 77 HZ1 LYS 77 -8.242 19.170 -2.316 570 2HZ LYS 77 HZ2 LYS 77 -7.450 19.243 -0.825 571 3HZ LYS 77 HZ3 LYS 77 -8.618 18.052 -1.104 572 H ASN 78 HN ASN 78 -3.931 13.292 1.605 573 HA ASN 78 HA ASN 78 -2.679 11.803 -0.406 574 1HB ASN 78 HB2 ASN 78 -1.410 12.736 1.434 575 2HB ASN 78 HB1 ASN 78 -2.274 11.725 2.584 576 1HD2 ASN 78 HD21 ASN 78 0.527 11.845 2.245 577 2HD2 ASN 78 HD22 ASN 78 1.063 10.281 1.738 578 HA PRO 79 HA PRO 79 -5.315 8.180 -0.127 579 1HB PRO 79 HB2 PRO 79 -4.002 6.772 -2.077 580 2HB PRO 79 HB1 PRO 79 -5.238 7.987 -2.398 581 1HG PRO 79 HG2 PRO 79 -2.266 8.234 -2.521 582 2HG PRO 79 HG1 PRO 79 -3.498 8.924 -3.593 583 1HD PRO 79 HD2 PRO 79 -2.240 10.373 -1.684 584 2HD PRO 79 HD1 PRO 79 -3.910 10.695 -2.189 585 H LYS 80 HN LYS 80 -4.718 7.405 1.891 586 HA LYS 80 HA LYS 80 -2.258 5.823 2.070 587 1HB LYS 80 HB2 LYS 80 -3.982 6.081 4.450 588 2HB LYS 80 HB1 LYS 80 -2.240 6.237 4.301 589 1HG LYS 80 HG2 LYS 80 -2.645 8.394 4.738 590 2HG LYS 80 HG1 LYS 80 -3.035 8.470 3.019 591 1HD LYS 80 HD2 LYS 80 -5.406 8.041 3.581 592 2HD LYS 80 HD1 LYS 80 -4.981 8.080 5.292 593 1HE LYS 80 HE2 LYS 80 -5.100 10.298 5.317 594 2HE LYS 80 HE1 LYS 80 -3.945 10.411 3.990 595 1HZ LYS 80 HZ1 LYS 80 -5.562 10.846 2.543 596 2HZ LYS 80 HZ2 LYS 80 -6.557 11.136 3.879 597 3HZ LYS 80 HZ3 LYS 80 -6.566 9.618 3.134 598 H LEU 81 HN LEU 81 -2.574 3.797 1.326 599 HA LEU 81 HA LEU 81 -5.121 2.510 1.696 600 1HB LEU 81 HB2 LEU 81 -4.456 2.032 -0.391 601 2HB LEU 81 HB1 LEU 81 -2.767 2.270 -0.020 602 HG LEU 81 HG LEU 81 -3.059 0.072 -0.767 603 1HD1 LEU 81 HD11 LEU 81 -1.820 0.612 1.545 604 2HD1 LEU 81 HD12 LEU 81 -1.778 -0.945 0.739 605 3HD1 LEU 81 HD13 LEU 81 -2.918 -0.660 2.051 606 1HD2 LEU 81 HD21 LEU 81 -4.830 -0.878 1.357 607 2HD2 LEU 81 HD22 LEU 81 -4.795 -1.282 -0.353 608 3HD2 LEU 81 HD23 LEU 81 -5.583 0.195 0.182 609 H THR 82 HN THR 82 -5.316 0.397 2.700 610 HA THR 82 HA THR 82 -3.259 -0.014 4.764 611 HB THR 82 HB THR 82 -6.070 -0.982 5.101 612 HG1 THR 82 HG1 THR 82 -5.252 1.621 5.819 613 1HG2 THR 82 HG21 THR 82 -3.848 -1.063 6.719 614 2HG2 THR 82 HG22 THR 82 -5.523 -1.288 7.226 615 3HG2 THR 82 HG23 THR 82 -4.772 0.299 7.346 616 H ILE 83 HN ILE 83 -2.605 -2.059 5.294 617 HA ILE 83 HA ILE 83 -3.618 -4.313 3.720 618 HB ILE 83 HB ILE 83 -0.659 -3.912 4.052 619 1HG1 ILE 83 HG12 ILE 83 -1.856 -2.032 2.723 620 2HG1 ILE 83 HG11 ILE 83 -0.449 -2.807 2.008 621 1HG2 ILE 83 HG21 ILE 83 -0.801 -6.052 3.400 622 2HG2 ILE 83 HG22 ILE 83 -1.027 -5.358 1.794 623 3HG2 ILE 83 HG23 ILE 83 -2.427 -5.856 2.745 624 1HD1 ILE 83 HD11 ILE 83 -3.040 -2.531 0.931 625 2HD1 ILE 83 HD12 ILE 83 -2.766 -4.251 1.221 626 3HD1 ILE 83 HD13 ILE 83 -1.635 -3.333 0.224 627 H THR 84 HN THR 84 -4.487 -5.298 5.520 628 HA THR 84 HA THR 84 -3.092 -5.552 7.992 629 HB THR 84 HB THR 84 -5.183 -7.543 7.370 630 HG1 THR 84 HG1 THR 84 -6.811 -5.903 7.468 631 1HG2 THR 84 HG21 THR 84 -6.081 -6.933 9.472 632 2HG2 THR 84 HG22 THR 84 -5.113 -5.460 9.530 633 3HG2 THR 84 HG23 THR 84 -4.332 -7.033 9.665 634 H VAL 85 HN VAL 85 -1.107 -6.507 7.733 635 HA VAL 85 HA VAL 85 -0.820 -8.955 6.234 636 HB VAL 85 HB VAL 85 1.308 -7.977 8.073 637 1HG1 VAL 85 HG11 VAL 85 2.733 -9.047 6.660 638 2HG1 VAL 85 HG12 VAL 85 1.751 -8.709 5.233 639 3HG1 VAL 85 HG13 VAL 85 1.277 -9.990 6.351 640 1HG2 VAL 85 HG21 VAL 85 0.951 -5.879 7.249 641 2HG2 VAL 85 HG22 VAL 85 0.203 -6.470 5.766 642 3HG2 VAL 85 HG23 VAL 85 1.955 -6.521 5.950 643 H LEU 86 HN LEU 86 -1.292 -10.868 7.036 644 HA LEU 86 HA LEU 86 -1.026 -11.290 9.934 645 1HB LEU 86 HB2 LEU 86 -2.730 -13.262 8.796 646 2HB LEU 86 HB1 LEU 86 -3.115 -12.052 10.000 647 HG LEU 86 HG LEU 86 -3.167 -11.400 7.066 648 1HD1 LEU 86 HD11 LEU 86 -5.788 -11.810 8.088 649 2HD1 LEU 86 HD12 LEU 86 -4.842 -13.272 8.366 650 3HD1 LEU 86 HD13 LEU 86 -4.989 -12.614 6.737 651 1HD2 LEU 86 HD21 LEU 86 -4.655 -9.633 7.775 652 2HD2 LEU 86 HD22 LEU 86 -3.159 -9.558 8.707 653 3HD2 LEU 86 HD23 LEU 86 -4.618 -10.226 9.435 654 HA PRO 87 HA PRO 87 1.995 -14.030 7.715 655 1HB PRO 87 HB2 PRO 87 3.621 -13.426 10.095 656 2HB PRO 87 HB1 PRO 87 4.038 -13.285 8.384 657 1HG PRO 87 HG2 PRO 87 3.619 -11.131 9.923 658 2HG PRO 87 HG1 PRO 87 3.164 -11.157 8.213 659 1HD PRO 87 HD2 PRO 87 1.440 -11.473 10.639 660 2HD PRO 87 HD1 PRO 87 1.116 -10.602 9.130 661 H LYS 88 HN LYS 88 3.702 -15.303 9.688 662 HA LYS 88 HA LYS 88 2.102 -17.525 10.317 663 1HB LYS 88 HB2 LYS 88 4.579 -17.274 11.858 664 2HB LYS 88 HB1 LYS 88 4.059 -18.528 10.751 665 1HG LYS 88 HG2 LYS 88 4.600 -16.731 8.927 666 2HG LYS 88 HG1 LYS 88 5.619 -16.063 10.204 667 1HD LYS 88 HD2 LYS 88 7.144 -17.682 9.968 668 2HD LYS 88 HD1 LYS 88 5.911 -18.946 9.929 669 1HE LYS 88 HE2 LYS 88 5.476 -18.430 7.572 670 2HE LYS 88 HE1 LYS 88 6.729 -17.189 7.616 671 1HZ LYS 88 HZ1 LYS 88 7.235 -20.054 8.200 672 2HZ LYS 88 HZ2 LYS 88 8.385 -18.834 7.982 673 3HZ LYS 88 HZ3 LYS 88 7.450 -19.356 6.672 674 H ASP 89 HN ASP 89 0.982 -18.065 12.085 675 HA ASP 89 HA ASP 89 1.008 -16.173 14.333 676 1HB ASP 89 HB2 ASP 89 -1.085 -17.367 12.843 677 2HB ASP 89 HB1 ASP 89 -1.177 -18.002 14.480 678 H ILE 90 HN ILE 90 2.923 -18.274 13.950 679 HA ILE 90 HA ILE 90 2.425 -19.800 16.415 680 HB ILE 90 HB ILE 90 2.163 -21.235 14.385 681 1HG1 ILE 90 HG12 ILE 90 2.929 -22.054 16.660 682 2HG1 ILE 90 HG11 ILE 90 3.347 -23.085 15.295 683 1HG2 ILE 90 HG21 ILE 90 3.970 -19.999 13.109 684 2HG2 ILE 90 HG22 ILE 90 3.977 -21.759 12.980 685 3HG2 ILE 90 HG23 ILE 90 5.133 -20.947 14.036 686 1HD1 ILE 90 HD11 ILE 90 5.422 -23.068 16.065 687 2HD1 ILE 90 HD12 ILE 90 5.055 -21.787 17.220 688 3HD1 ILE 90 HD13 ILE 90 5.517 -21.380 15.568 689 HA PRO 91 HA PRO 91 6.323 -17.962 17.540 690 1HB PRO 91 HB2 PRO 91 6.740 -19.367 19.824 691 2HB PRO 91 HB1 PRO 91 5.571 -18.048 19.711 692 1HG PRO 91 HG2 PRO 91 5.111 -21.004 19.572 693 2HG PRO 91 HG1 PRO 91 4.178 -19.765 20.434 694 1HD PRO 91 HD2 PRO 91 3.397 -20.786 18.048 695 2HD PRO 91 HD1 PRO 91 3.049 -19.114 18.533 696 H GLY 92 HN GLY 92 8.052 -18.493 16.351 697 1HA GLY 92 HA2 GLY 92 9.058 -21.265 16.546 698 2HA GLY 92 HA1 GLY 92 9.173 -20.302 15.081 699 H LEU 93 HN LEU 93 9.883 -17.861 16.539 700 HA LEU 93 HA LEU 93 11.749 -16.739 17.197 701 1HB LEU 93 HB2 LEU 93 11.584 -17.926 19.260 702 2HB LEU 93 HB1 LEU 93 12.258 -19.381 18.550 703 HG LEU 93 HG LEU 93 14.118 -17.190 18.296 704 1HD1 LEU 93 HD11 LEU 93 12.680 -17.398 20.827 705 2HD1 LEU 93 HD12 LEU 93 13.721 -16.114 20.213 706 3HD1 LEU 93 HD13 LEU 93 14.432 -17.529 20.989 707 1HD2 LEU 93 HD21 LEU 93 15.194 -19.052 20.001 708 2HD2 LEU 93 HD22 LEU 93 15.291 -19.090 18.240 709 3HD2 LEU 93 HD23 LEU 93 14.029 -19.996 19.073 710 H GLU 94 HN GLU 94 12.052 -17.103 14.726 711 HA GLU 94 HA GLU 94 13.427 -17.507 12.953 712 1HB GLU 94 HB2 GLU 94 14.811 -16.071 14.651 713 2HB GLU 94 HB1 GLU 94 15.751 -17.544 14.841 714 1HG GLU 94 HG2 GLU 94 16.658 -15.919 13.183 715 2HG GLU 94 HG1 GLU 94 16.379 -17.542 12.555 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -4.215 21.222 0.101 2 2H MET 1 HT2 MET 1 -3.011 20.705 -1.005 3 3H MET 1 HT3 MET 1 -4.453 19.795 -0.817 4 HA MET 1 HA MET 1 -5.714 21.683 -1.627 5 1HB MET 1 HB2 MET 1 -3.945 23.330 -0.954 6 2HB MET 1 HB1 MET 1 -2.979 22.772 -2.312 7 1HG MET 1 HG2 MET 1 -4.794 23.460 -3.837 8 2HG MET 1 HG1 MET 1 -5.672 24.103 -2.452 9 1HE MET 1 HE1 MET 1 -2.175 25.672 -4.743 10 2HE MET 1 HE2 MET 1 -3.809 25.948 -5.344 11 3HE MET 1 HE3 MET 1 -3.252 24.305 -5.025 12 H GLN 2 HN GLN 2 -5.379 19.178 -2.447 13 HA GLN 2 HA GLN 2 -5.058 19.479 -5.323 14 1HB GLN 2 HB2 GLN 2 -3.710 17.164 -3.948 15 2HB GLN 2 HB1 GLN 2 -3.526 17.704 -5.610 16 1HG GLN 2 HG2 GLN 2 -2.586 19.868 -4.534 17 2HG GLN 2 HG1 GLN 2 -2.370 18.851 -3.111 18 1HE2 GLN 2 HE21 GLN 2 -1.495 19.289 -6.474 19 2HE2 GLN 2 HE22 GLN 2 -0.041 18.359 -6.414 20 H ASP 3 HN ASP 3 -5.530 17.128 -6.314 21 HA ASP 3 HA ASP 3 -7.673 15.821 -4.825 22 1HB ASP 3 HB2 ASP 3 -8.138 17.654 -6.945 23 2HB ASP 3 HB1 ASP 3 -8.562 16.044 -7.509 24 HA PRO 4 HA PRO 4 -5.034 12.841 -7.178 25 1HB PRO 4 HB2 PRO 4 -4.180 11.371 -5.115 26 2HB PRO 4 HB1 PRO 4 -3.424 12.918 -5.518 27 1HG PRO 4 HG2 PRO 4 -5.415 12.280 -3.380 28 2HG PRO 4 HG1 PRO 4 -3.986 13.329 -3.303 29 1HD PRO 4 HD2 PRO 4 -6.568 14.231 -3.664 30 2HD PRO 4 HD1 PRO 4 -5.116 15.121 -4.156 31 H THR 5 HN THR 5 -5.800 10.956 -7.980 32 HA THR 5 HA THR 5 -8.036 9.714 -6.521 33 HB THR 5 HB THR 5 -7.800 9.108 -9.391 34 HG1 THR 5 HG1 THR 5 -8.162 11.725 -8.441 35 1HG2 THR 5 HG21 THR 5 -9.766 8.853 -7.530 36 2HG2 THR 5 HG22 THR 5 -10.005 8.818 -9.278 37 3HG2 THR 5 HG23 THR 5 -10.252 10.317 -8.383 38 H ILE 6 HN ILE 6 -7.177 8.053 -5.433 39 HA ILE 6 HA ILE 6 -5.375 6.225 -6.870 40 HB ILE 6 HB ILE 6 -4.616 7.320 -4.717 41 1HG1 ILE 6 HG12 ILE 6 -4.297 4.638 -5.681 42 2HG1 ILE 6 HG11 ILE 6 -3.120 5.672 -4.889 43 1HG2 ILE 6 HG21 ILE 6 -5.378 6.174 -2.630 44 2HG2 ILE 6 HG22 ILE 6 -6.654 5.415 -3.580 45 3HG2 ILE 6 HG23 ILE 6 -6.610 7.167 -3.406 46 1HD1 ILE 6 HD11 ILE 6 -5.133 4.012 -3.398 47 2HD1 ILE 6 HD12 ILE 6 -3.727 4.855 -2.744 48 3HD1 ILE 6 HD13 ILE 6 -3.506 3.460 -3.801 49 H ASN 7 HN ASN 7 -5.667 3.969 -6.651 50 HA ASN 7 HA ASN 7 -8.244 3.076 -6.965 51 1HB ASN 7 HB2 ASN 7 -7.105 0.763 -6.328 52 2HB ASN 7 HB1 ASN 7 -6.888 1.550 -7.877 53 1HD2 ASN 7 HD21 ASN 7 -5.415 2.823 -4.975 54 2HD2 ASN 7 HD22 ASN 7 -3.794 2.412 -5.394 55 HA PRO 8 HA PRO 8 -9.412 1.911 -2.936 56 1HB PRO 8 HB2 PRO 8 -8.497 -0.213 -1.773 57 2HB PRO 8 HB1 PRO 8 -9.084 -0.346 -3.413 58 1HG PRO 8 HG2 PRO 8 -6.287 -0.328 -2.393 59 2HG PRO 8 HG1 PRO 8 -6.970 -1.183 -3.788 60 1HD PRO 8 HD2 PRO 8 -5.630 1.346 -3.768 61 2HD PRO 8 HD1 PRO 8 -6.374 0.512 -5.140 62 H THR 9 HN THR 9 -8.814 1.072 -0.418 63 HA THR 9 HA THR 9 -6.574 2.622 0.591 64 HB THR 9 HB THR 9 -9.416 3.151 1.459 65 HG1 THR 9 HG1 THR 9 -7.596 4.574 -0.149 66 1HG2 THR 9 HG21 THR 9 -7.835 5.194 2.401 67 2HG2 THR 9 HG22 THR 9 -6.879 3.747 2.723 68 3HG2 THR 9 HG23 THR 9 -8.520 3.877 3.352 69 H SER 10 HN SER 10 -7.922 -0.236 0.552 70 HA SER 10 HA SER 10 -6.942 -0.946 3.153 71 1HB SER 10 HB2 SER 10 -8.907 -1.595 4.219 72 2HB SER 10 HB1 SER 10 -9.391 -0.101 3.416 73 HG SER 10 HG SER 10 -10.888 -1.825 3.094 74 H ILE 11 HN ILE 11 -6.412 -3.047 3.344 75 HA ILE 11 HA ILE 11 -7.404 -5.084 1.568 76 HB ILE 11 HB ILE 11 -5.847 -4.807 -0.018 77 1HG1 ILE 11 HG12 ILE 11 -3.934 -5.746 2.126 78 2HG1 ILE 11 HG11 ILE 11 -4.955 -6.785 1.137 79 1HG2 ILE 11 HG21 ILE 11 -5.255 -2.604 0.488 80 2HG2 ILE 11 HG22 ILE 11 -3.722 -3.467 0.375 81 3HG2 ILE 11 HG23 ILE 11 -4.399 -3.081 1.957 82 1HD1 ILE 11 HD11 ILE 11 -3.594 -6.639 -0.643 83 2HD1 ILE 11 HD12 ILE 11 -2.392 -6.247 0.582 84 3HD1 ILE 11 HD13 ILE 11 -3.173 -4.956 -0.325 85 H SER 12 HN SER 12 -6.788 -7.215 2.254 86 HA SER 12 HA SER 12 -5.134 -7.435 4.633 87 1HB SER 12 HB2 SER 12 -7.480 -8.959 5.187 88 2HB SER 12 HB1 SER 12 -6.778 -7.638 6.120 89 HG SER 12 HG SER 12 -8.164 -6.268 5.258 90 H ALA 13 HN ALA 13 -4.088 -9.298 4.775 91 HA ALA 13 HA ALA 13 -4.980 -11.778 3.772 92 1HB ALA 13 HB1 ALA 13 -2.618 -11.093 2.184 93 2HB ALA 13 HB2 ALA 13 -4.066 -10.187 1.748 94 3HB ALA 13 HB3 ALA 13 -4.088 -11.950 1.722 95 H LYS 14 HN LYS 14 -3.371 -13.471 4.109 96 HA LYS 14 HA LYS 14 -1.811 -13.000 6.444 97 1HB LYS 14 HB2 LYS 14 -2.697 -15.180 6.252 98 2HB LYS 14 HB1 LYS 14 -2.134 -15.357 4.596 99 1HG LYS 14 HG2 LYS 14 -0.125 -16.105 5.234 100 2HG LYS 14 HG1 LYS 14 -0.002 -14.941 6.555 101 1HD LYS 14 HD2 LYS 14 -0.103 -16.993 7.651 102 2HD LYS 14 HD1 LYS 14 -1.764 -16.408 7.725 103 1HE LYS 14 HE2 LYS 14 -2.530 -17.984 6.272 104 2HE LYS 14 HE1 LYS 14 -1.008 -18.064 5.386 105 1HZ LYS 14 HZ1 LYS 14 -0.523 -19.000 7.962 106 2HZ LYS 14 HZ2 LYS 14 -0.519 -19.884 6.519 107 3HZ LYS 14 HZ3 LYS 14 -1.940 -19.758 7.427 108 H ALA 15 HN ALA 15 0.502 -13.059 6.650 109 HA ALA 15 HA ALA 15 1.807 -11.680 4.576 110 1HB ALA 15 HB1 ALA 15 2.382 -11.956 7.172 111 2HB ALA 15 HB2 ALA 15 3.583 -11.455 5.977 112 3HB ALA 15 HB3 ALA 15 3.510 -13.137 6.511 113 H GLY 16 HN GLY 16 2.014 -12.481 2.726 114 1HA GLY 16 HA2 GLY 16 3.724 -13.913 1.509 115 2HA GLY 16 HA1 GLY 16 2.967 -15.243 2.390 116 H SER 17 HN SER 17 0.315 -14.321 2.317 117 HA SER 17 HA SER 17 -0.477 -15.230 -0.254 118 1HB SER 17 HB2 SER 17 -2.635 -13.971 1.007 119 2HB SER 17 HB1 SER 17 -2.261 -15.687 1.022 120 HG SER 17 HG SER 17 -1.161 -15.412 2.929 121 H PHE 18 HN PHE 18 1.024 -12.545 0.398 122 HA PHE 18 HA PHE 18 -0.726 -10.666 -0.939 123 1HB PHE 18 HB2 PHE 18 1.831 -10.482 0.589 124 2HB PHE 18 HB1 PHE 18 1.230 -9.142 -0.343 125 HD1 PHE 18 HD1 PHE 18 1.535 -10.122 2.819 126 HD2 PHE 18 HD2 PHE 18 -1.561 -8.999 0.131 127 HE1 PHE 18 HE1 PHE 18 0.129 -9.466 4.723 128 HE2 PHE 18 HE2 PHE 18 -2.976 -8.337 2.032 129 HZ PHE 18 HZ PHE 18 -2.125 -8.573 4.333 130 H ALA 19 HN ALA 19 -0.538 -11.766 -2.988 131 HA ALA 19 HA ALA 19 1.964 -12.038 -4.310 132 1HB ALA 19 HB1 ALA 19 -0.492 -11.679 -5.926 133 2HB ALA 19 HB2 ALA 19 -0.442 -13.051 -4.820 134 3HB ALA 19 HB3 ALA 19 0.787 -12.881 -6.068 135 H ASP 20 HN ASP 20 2.989 -10.678 -5.771 136 HA ASP 20 HA ASP 20 3.181 -8.041 -5.414 137 1HB ASP 20 HB2 ASP 20 4.514 -9.365 -7.057 138 2HB ASP 20 HB1 ASP 20 3.163 -9.260 -8.180 139 H THR 21 HN THR 21 1.984 -6.215 -5.668 140 HA THR 21 HA THR 21 -0.480 -6.478 -7.227 141 HB THR 21 HB THR 21 -0.004 -5.001 -4.637 142 HG1 THR 21 HG1 THR 21 -1.117 -6.566 -3.768 143 1HG2 THR 21 HG21 THR 21 -2.389 -4.408 -4.717 144 2HG2 THR 21 HG22 THR 21 -2.451 -4.985 -6.384 145 3HG2 THR 21 HG23 THR 21 -1.435 -3.604 -5.964 146 H LYS 22 HN LYS 22 -1.323 -4.459 -7.983 147 HA LYS 22 HA LYS 22 0.732 -2.512 -8.655 148 1HB LYS 22 HB2 LYS 22 -0.600 -4.195 -10.428 149 2HB LYS 22 HB1 LYS 22 -1.408 -2.644 -10.600 150 1HG LYS 22 HG2 LYS 22 0.247 -1.873 -11.838 151 2HG LYS 22 HG1 LYS 22 1.409 -2.225 -10.557 152 1HD LYS 22 HD2 LYS 22 2.074 -3.404 -12.545 153 2HD LYS 22 HD1 LYS 22 1.497 -4.576 -11.360 154 1HE LYS 22 HE2 LYS 22 0.727 -4.776 -13.828 155 2HE LYS 22 HE1 LYS 22 -0.442 -5.005 -12.532 156 1HZ LYS 22 HZ1 LYS 22 -1.289 -3.576 -14.303 157 2HZ LYS 22 HZ2 LYS 22 -0.031 -2.478 -14.038 158 3HZ LYS 22 HZ3 LYS 22 -1.188 -2.740 -12.834 159 H ILE 23 HN ILE 23 -0.169 -0.379 -9.288 160 HA ILE 23 HA ILE 23 -2.787 0.252 -8.265 161 HB ILE 23 HB ILE 23 -0.296 1.049 -6.881 162 1HG1 ILE 23 HG12 ILE 23 -3.012 0.057 -6.062 163 2HG1 ILE 23 HG11 ILE 23 -1.458 -0.738 -5.857 164 1HG2 ILE 23 HG21 ILE 23 -2.822 2.669 -6.993 165 2HG2 ILE 23 HG22 ILE 23 -1.185 3.191 -7.381 166 3HG2 ILE 23 HG23 ILE 23 -1.624 2.841 -5.711 167 1HD1 ILE 23 HD11 ILE 23 -2.464 0.212 -3.778 168 2HD1 ILE 23 HD12 ILE 23 -2.194 1.814 -4.462 169 3HD1 ILE 23 HD13 ILE 23 -0.825 0.755 -4.133 170 H THR 24 HN THR 24 -3.472 2.414 -8.765 171 HA THR 24 HA THR 24 -1.789 3.758 -10.769 172 HB THR 24 HB THR 24 -4.784 3.750 -10.979 173 HG1 THR 24 HG1 THR 24 -2.997 1.723 -11.765 174 1HG2 THR 24 HG21 THR 24 -3.014 3.651 -13.336 175 2HG2 THR 24 HG22 THR 24 -3.011 5.145 -12.394 176 3HG2 THR 24 HG23 THR 24 -4.519 4.531 -13.076 177 H LEU 25 HN LEU 25 -1.077 5.324 -9.340 178 HA LEU 25 HA LEU 25 -2.912 6.828 -7.720 179 1HB LEU 25 HB2 LEU 25 -0.038 6.546 -8.073 180 2HB LEU 25 HB1 LEU 25 -0.525 8.207 -7.831 181 HG LEU 25 HG LEU 25 -1.377 5.990 -5.980 182 1HD1 LEU 25 HD11 LEU 25 0.694 5.866 -5.210 183 2HD1 LEU 25 HD12 LEU 25 0.564 7.554 -4.720 184 3HD1 LEU 25 HD13 LEU 25 1.231 7.144 -6.300 185 1HD2 LEU 25 HD21 LEU 25 -1.126 8.498 -4.711 186 2HD2 LEU 25 HD22 LEU 25 -2.597 7.587 -5.045 187 3HD2 LEU 25 HD23 LEU 25 -2.005 8.765 -6.216 188 H THR 26 HN THR 26 -4.336 8.009 -8.874 189 HA THR 26 HA THR 26 -3.732 9.289 -11.327 190 HB THR 26 HB THR 26 -6.012 9.813 -9.424 191 HG1 THR 26 HG1 THR 26 -6.336 7.782 -9.993 192 1HG2 THR 26 HG21 THR 26 -7.137 10.288 -11.734 193 2HG2 THR 26 HG22 THR 26 -5.485 10.683 -12.212 194 3HG2 THR 26 HG23 THR 26 -6.250 11.550 -10.881 195 HA PRO 27 HA PRO 27 -1.915 12.968 -9.402 196 1HB PRO 27 HB2 PRO 27 -0.078 13.365 -11.160 197 2HB PRO 27 HB1 PRO 27 -0.081 11.773 -10.372 198 1HG PRO 27 HG2 PRO 27 -1.330 12.529 -13.002 199 2HG PRO 27 HG1 PRO 27 -0.156 11.268 -12.684 200 1HD PRO 27 HD2 PRO 27 -2.847 10.817 -12.717 201 2HD PRO 27 HD1 PRO 27 -1.705 9.842 -11.766 202 H ASN 28 HN ASN 28 -4.117 12.623 -11.671 203 HA ASN 28 HA ASN 28 -4.119 14.361 -13.621 204 1HB ASN 28 HB2 ASN 28 -6.049 12.998 -12.278 205 2HB ASN 28 HB1 ASN 28 -6.537 14.665 -12.005 206 1HD2 ASN 28 HD21 ASN 28 -8.361 14.535 -13.271 207 2HD2 ASN 28 HD22 ASN 28 -8.303 14.398 -14.991 208 H GLY 29 HN GLY 29 -3.728 15.175 -10.433 209 1HA GLY 29 HA2 GLY 29 -3.382 17.976 -11.023 210 2HA GLY 29 HA1 GLY 29 -4.759 17.656 -9.977 211 H ASN 30 HN ASN 30 -2.275 15.399 -9.588 212 HA ASN 30 HA ASN 30 -0.983 16.858 -7.436 213 1HB ASN 30 HB2 ASN 30 -1.666 14.068 -6.834 214 2HB ASN 30 HB1 ASN 30 -1.714 15.489 -5.818 215 1HD2 ASN 30 HD21 ASN 30 -3.415 14.201 -8.657 216 2HD2 ASN 30 HD22 ASN 30 -4.993 14.625 -8.104 217 H THR 31 HN THR 31 0.825 15.479 -6.515 218 HA THR 31 HA THR 31 2.087 13.855 -8.615 219 HB THR 31 HB THR 31 3.198 15.976 -8.700 220 HG1 THR 31 HG1 THR 31 5.159 15.190 -8.536 221 1HG2 THR 31 HG21 THR 31 2.956 17.262 -6.880 222 2HG2 THR 31 HG22 THR 31 4.493 16.528 -6.416 223 3HG2 THR 31 HG23 THR 31 2.979 15.890 -5.770 224 H PHE 32 HN PHE 32 3.721 12.366 -7.807 225 HA PHE 32 HA PHE 32 3.113 11.483 -5.066 226 1HB PHE 32 HB2 PHE 32 2.460 9.888 -6.838 227 2HB PHE 32 HB1 PHE 32 4.127 9.841 -7.397 228 HD1 PHE 32 HD1 PHE 32 4.328 7.467 -7.107 229 HD2 PHE 32 HD2 PHE 32 3.294 9.975 -3.829 230 HE1 PHE 32 HE1 PHE 32 4.805 5.620 -5.551 231 HE2 PHE 32 HE2 PHE 32 3.770 8.132 -2.271 232 HZ PHE 32 HZ PHE 32 4.526 5.954 -3.126 233 H ASN 33 HN ASN 33 4.714 11.256 -3.614 234 HA ASN 33 HA ASN 33 7.436 11.909 -4.506 235 1HB ASN 33 HB2 ASN 33 6.038 13.210 -2.640 236 2HB ASN 33 HB1 ASN 33 6.715 11.947 -1.617 237 1HD2 ASN 33 HD21 ASN 33 7.275 14.881 -3.223 238 2HD2 ASN 33 HD22 ASN 33 8.954 15.044 -2.847 239 H GLY 34 HN GLY 34 5.516 9.639 -2.633 240 1HA GLY 34 HA2 GLY 34 6.561 7.301 -3.045 241 2HA GLY 34 HA1 GLY 34 7.907 7.997 -2.157 242 H ILE 35 HN ILE 35 6.292 5.688 -1.457 243 HA ILE 35 HA ILE 35 4.787 6.588 0.851 244 HB ILE 35 HB ILE 35 3.646 5.070 -0.507 245 1HG1 ILE 35 HG12 ILE 35 4.777 3.590 1.839 246 2HG1 ILE 35 HG11 ILE 35 3.413 4.693 1.852 247 1HG2 ILE 35 HG21 ILE 35 5.005 2.663 -0.495 248 2HG2 ILE 35 HG22 ILE 35 6.241 3.873 -0.839 249 3HG2 ILE 35 HG23 ILE 35 4.808 3.759 -1.862 250 1HD1 ILE 35 HD11 ILE 35 3.015 2.134 1.782 251 2HD1 ILE 35 HD12 ILE 35 3.365 2.320 0.067 252 3HD1 ILE 35 HD13 ILE 35 2.026 3.206 0.791 253 H SER 36 HN SER 36 6.114 7.014 2.447 254 HA SER 36 HA SER 36 8.600 5.877 2.990 255 1HB SER 36 HB2 SER 36 8.363 6.872 5.258 256 2HB SER 36 HB1 SER 36 7.963 7.996 3.959 257 HG SER 36 HG SER 36 6.407 7.076 5.974 258 H GLU 37 HN GLU 37 5.464 4.917 4.383 259 HA GLU 37 HA GLU 37 6.303 3.213 6.284 260 1HB GLU 37 HB2 GLU 37 4.194 1.930 5.191 261 2HB GLU 37 HB1 GLU 37 4.071 3.223 6.344 262 1HG GLU 37 HG2 GLU 37 4.245 3.931 3.497 263 2HG GLU 37 HG1 GLU 37 2.763 3.167 4.038 264 H LEU 38 HN LEU 38 6.615 2.878 2.825 265 HA LEU 38 HA LEU 38 7.946 0.330 3.315 266 1HB LEU 38 HB2 LEU 38 6.815 -0.002 0.803 267 2HB LEU 38 HB1 LEU 38 6.388 -0.828 2.283 268 HG LEU 38 HG LEU 38 5.109 1.763 1.485 269 1HD1 LEU 38 HD11 LEU 38 4.222 0.658 -0.240 270 2HD1 LEU 38 HD12 LEU 38 3.244 -0.157 0.972 271 3HD1 LEU 38 HD13 LEU 38 4.724 -0.908 0.379 272 1HD2 LEU 38 HD21 LEU 38 3.940 1.539 3.363 273 2HD2 LEU 38 HD22 LEU 38 5.030 0.229 3.811 274 3HD2 LEU 38 HD23 LEU 38 3.523 -0.123 2.972 275 H GLN 39 HN GLN 39 9.721 1.914 3.167 276 HA GLN 39 HA GLN 39 10.637 3.486 1.308 277 1HB GLN 39 HB2 GLN 39 12.414 1.252 2.263 278 2HB GLN 39 HB1 GLN 39 12.859 2.907 1.877 279 1HG GLN 39 HG2 GLN 39 12.848 3.131 4.108 280 2HG GLN 39 HG1 GLN 39 11.118 3.371 3.857 281 1HE2 GLN 39 HE21 GLN 39 10.513 2.604 5.847 282 2HE2 GLN 39 HE22 GLN 39 10.648 0.943 6.299 283 H SER 40 HN SER 40 9.917 3.199 -0.529 284 HA SER 40 HA SER 40 9.287 2.102 -2.529 285 1HB SER 40 HB2 SER 40 12.180 2.546 -3.085 286 2HB SER 40 HB1 SER 40 10.773 2.987 -4.053 287 HG SER 40 HG SER 40 10.355 4.430 -2.089 288 H SER 41 HN SER 41 12.313 0.812 -1.322 289 HA SER 41 HA SER 41 12.602 -1.295 -3.082 290 1HB SER 41 HB2 SER 41 13.775 -0.537 -0.627 291 2HB SER 41 HB1 SER 41 13.264 -2.213 -0.430 292 HG SER 41 HG SER 41 15.429 -1.455 -1.565 293 H GLN 42 HN GLN 42 10.298 -0.864 -0.552 294 HA GLN 42 HA GLN 42 9.495 -3.521 -0.172 295 1HB GLN 42 HB2 GLN 42 8.228 -0.827 0.193 296 2HB GLN 42 HB1 GLN 42 7.432 -2.309 0.670 297 1HG GLN 42 HG2 GLN 42 8.789 -0.965 2.409 298 2HG GLN 42 HG1 GLN 42 8.882 -2.705 2.358 299 1HE2 GLN 42 HE21 GLN 42 10.671 -0.021 2.690 300 2HE2 GLN 42 HE22 GLN 42 12.201 -0.612 2.154 301 H TYR 43 HN TYR 43 8.736 -1.103 -2.495 302 HA TYR 43 HA TYR 43 7.085 -2.974 -4.028 303 1HB TYR 43 HB2 TYR 43 5.420 -1.281 -4.486 304 2HB TYR 43 HB1 TYR 43 5.572 -1.508 -2.751 305 HD1 TYR 43 HD1 TYR 43 5.350 0.876 -5.293 306 HD2 TYR 43 HD2 TYR 43 7.300 0.128 -1.591 307 HE1 TYR 43 HE1 TYR 43 5.704 3.292 -5.000 308 HE2 TYR 43 HE2 TYR 43 7.663 2.538 -1.291 309 HH TYR 43 HH TYR 43 7.840 4.613 -2.984 310 H THR 44 HN THR 44 6.386 -1.243 -6.005 311 HA THR 44 HA THR 44 8.847 -0.208 -7.146 312 HB THR 44 HB THR 44 7.095 -1.966 -8.833 313 HG1 THR 44 HG1 THR 44 9.291 -2.848 -7.273 314 1HG2 THR 44 HG21 THR 44 9.355 -2.425 -9.905 315 2HG2 THR 44 HG22 THR 44 9.938 -1.042 -8.978 316 3HG2 THR 44 HG23 THR 44 8.643 -0.830 -10.156 317 H LYS 45 HN LYS 45 8.081 1.822 -7.074 318 HA LYS 45 HA LYS 45 5.490 2.632 -7.816 319 1HB LYS 45 HB2 LYS 45 6.815 4.899 -8.070 320 2HB LYS 45 HB1 LYS 45 6.446 4.235 -6.497 321 1HG LYS 45 HG2 LYS 45 8.980 3.295 -7.599 322 2HG LYS 45 HG1 LYS 45 8.906 5.043 -7.381 323 1HD LYS 45 HD2 LYS 45 7.790 4.057 -5.059 324 2HD LYS 45 HD1 LYS 45 9.101 2.925 -5.396 325 1HE LYS 45 HE2 LYS 45 9.425 5.922 -5.367 326 2HE LYS 45 HE1 LYS 45 9.741 4.885 -3.976 327 1HZ LYS 45 HZ1 LYS 45 11.394 5.423 -6.220 328 2HZ LYS 45 HZ2 LYS 45 11.128 3.760 -6.069 329 3HZ LYS 45 HZ3 LYS 45 11.779 4.634 -4.774 330 H GLY 46 HN GLY 46 5.122 4.284 -9.545 331 1HA GLY 46 HA2 GLY 46 6.769 4.130 -11.902 332 2HA GLY 46 HA1 GLY 46 5.249 3.257 -12.047 333 H THR 47 HN THR 47 6.508 6.428 -11.048 334 HA THR 47 HA THR 47 5.247 8.427 -10.907 335 HB THR 47 HB THR 47 5.734 7.814 -13.824 336 HG1 THR 47 HG1 THR 47 7.262 9.015 -11.782 337 1HG2 THR 47 HG21 THR 47 5.993 10.443 -13.760 338 2HG2 THR 47 HG22 THR 47 4.774 10.277 -12.498 339 3HG2 THR 47 HG23 THR 47 4.455 9.657 -14.118 340 H ASN 48 HN ASN 48 3.187 8.225 -10.166 341 HA ASN 48 HA ASN 48 0.921 8.588 -10.380 342 1HB ASN 48 HB2 ASN 48 0.987 7.690 -13.250 343 2HB ASN 48 HB1 ASN 48 -0.170 8.747 -12.456 344 1HD2 ASN 48 HD21 ASN 48 1.398 9.160 -14.878 345 2HD2 ASN 48 HD22 ASN 48 2.303 10.606 -14.615 346 H GLU 49 HN GLU 49 2.697 5.835 -10.928 347 HA GLU 49 HA GLU 49 0.391 4.150 -10.289 348 1HB GLU 49 HB2 GLU 49 2.446 3.693 -12.434 349 2HB GLU 49 HB1 GLU 49 1.587 2.346 -11.700 350 1HG GLU 49 HG2 GLU 49 -0.527 3.265 -12.425 351 2HG GLU 49 HG1 GLU 49 0.285 4.677 -13.091 352 H VAL 50 HN VAL 50 1.046 2.060 -9.300 353 HA VAL 50 HA VAL 50 3.716 2.008 -8.133 354 HB VAL 50 HB VAL 50 1.632 1.532 -6.114 355 1HG1 VAL 50 HG11 VAL 50 3.542 3.393 -5.249 356 2HG1 VAL 50 HG12 VAL 50 4.403 2.247 -6.278 357 3HG1 VAL 50 HG13 VAL 50 3.478 1.668 -4.892 358 1HG2 VAL 50 HG21 VAL 50 1.128 3.831 -5.665 359 2HG2 VAL 50 HG22 VAL 50 0.724 3.504 -7.350 360 3HG2 VAL 50 HG23 VAL 50 2.207 4.371 -6.950 361 H THR 51 HN THR 51 4.353 -0.045 -7.375 362 HA THR 51 HA THR 51 2.403 -2.204 -7.773 363 HB THR 51 HB THR 51 5.187 -2.100 -8.930 364 HG1 THR 51 HG1 THR 51 3.444 -1.064 -10.093 365 1HG2 THR 51 HG21 THR 51 4.694 -4.355 -8.091 366 2HG2 THR 51 HG22 THR 51 4.808 -4.289 -9.851 367 3HG2 THR 51 HG23 THR 51 3.228 -4.375 -9.072 368 H LEU 52 HN LEU 52 2.208 -3.113 -5.840 369 HA LEU 52 HA LEU 52 4.243 -3.123 -3.833 370 1HB LEU 52 HB2 LEU 52 1.476 -3.953 -4.117 371 2HB LEU 52 HB1 LEU 52 2.401 -5.179 -3.273 372 HG LEU 52 HG LEU 52 2.415 -2.304 -2.431 373 1HD1 LEU 52 HD11 LEU 52 0.839 -3.351 -0.603 374 2HD1 LEU 52 HD12 LEU 52 0.401 -4.412 -1.942 375 3HD1 LEU 52 HD13 LEU 52 0.203 -2.668 -2.095 376 1HD2 LEU 52 HD21 LEU 52 2.969 -3.456 -0.226 377 2HD2 LEU 52 HD22 LEU 52 4.223 -3.425 -1.464 378 3HD2 LEU 52 HD23 LEU 52 3.283 -4.891 -1.201 379 H LEU 53 HN LEU 53 5.633 -4.777 -3.221 380 HA LEU 53 HA LEU 53 5.830 -6.960 -5.158 381 1HB LEU 53 HB2 LEU 53 7.769 -5.197 -4.066 382 2HB LEU 53 HB1 LEU 53 8.151 -6.814 -3.509 383 HG LEU 53 HG LEU 53 7.703 -6.153 -6.414 384 1HD1 LEU 53 HD11 LEU 53 9.953 -5.755 -6.729 385 2HD1 LEU 53 HD12 LEU 53 10.411 -6.534 -5.215 386 3HD1 LEU 53 HD13 LEU 53 9.651 -4.943 -5.193 387 1HD2 LEU 53 HD21 LEU 53 7.677 -8.561 -5.226 388 2HD2 LEU 53 HD22 LEU 53 9.408 -8.390 -5.522 389 3HD2 LEU 53 HD23 LEU 53 8.271 -8.292 -6.865 390 H ALA 54 HN ALA 54 4.813 -8.698 -4.444 391 HA ALA 54 HA ALA 54 3.951 -9.488 -2.054 392 1HB ALA 54 HB1 ALA 54 4.412 -11.877 -2.796 393 2HB ALA 54 HB2 ALA 54 5.168 -11.164 -4.222 394 3HB ALA 54 HB3 ALA 54 3.464 -10.864 -3.884 395 H SER 55 HN SER 55 7.316 -9.274 -2.827 396 HA SER 55 HA SER 55 8.261 -11.090 -0.848 397 1HB SER 55 HB2 SER 55 10.458 -10.093 -1.251 398 2HB SER 55 HB1 SER 55 9.641 -10.389 -2.785 399 HG SER 55 HG SER 55 10.349 -8.005 -1.580 400 H TYR 56 HN TYR 56 7.813 -7.595 -0.959 401 HA TYR 56 HA TYR 56 8.768 -7.062 1.649 402 1HB TYR 56 HB2 TYR 56 8.721 -5.152 0.390 403 2HB TYR 56 HB1 TYR 56 7.294 -5.636 -0.493 404 HD1 TYR 56 HD1 TYR 56 5.511 -4.229 -0.246 405 HD2 TYR 56 HD2 TYR 56 8.101 -4.831 3.070 406 HE1 TYR 56 HE1 TYR 56 4.145 -2.685 1.086 407 HE2 TYR 56 HE2 TYR 56 6.743 -3.289 4.416 408 HH TYR 56 HH TYR 56 3.689 -2.059 3.278 409 H LEU 57 HN LEU 57 5.528 -7.013 0.287 410 HA LEU 57 HA LEU 57 4.014 -6.778 2.552 411 1HB LEU 57 HB2 LEU 57 3.505 -7.304 -0.094 412 2HB LEU 57 HB1 LEU 57 2.917 -8.750 0.694 413 HG LEU 57 HG LEU 57 1.285 -7.569 1.906 414 1HD1 LEU 57 HD11 LEU 57 1.483 -4.879 1.344 415 2HD1 LEU 57 HD12 LEU 57 3.150 -5.363 1.648 416 3HD1 LEU 57 HD13 LEU 57 1.908 -5.662 2.863 417 1HD2 LEU 57 HD21 LEU 57 1.566 -6.949 -0.934 418 2HD2 LEU 57 HD22 LEU 57 0.512 -5.845 -0.050 419 3HD2 LEU 57 HD23 LEU 57 0.182 -7.575 -0.040 420 H ASN 58 HN ASN 58 5.240 -9.779 1.133 421 HA ASN 58 HA ASN 58 4.157 -11.499 3.099 422 1HB ASN 58 HB2 ASN 58 4.829 -12.406 0.971 423 2HB ASN 58 HB1 ASN 58 6.480 -11.846 1.198 424 1HD2 ASN 58 HD21 ASN 58 7.244 -13.955 0.889 425 2HD2 ASN 58 HD22 ASN 58 7.113 -15.151 2.128 426 H THR 59 HN THR 59 6.936 -9.455 3.043 427 HA THR 59 HA THR 59 8.332 -10.829 5.147 428 HB THR 59 HB THR 59 8.779 -8.139 3.856 429 HG1 THR 59 HG1 THR 59 9.170 -10.311 2.773 430 1HG2 THR 59 HG21 THR 59 11.071 -8.311 4.840 431 2HG2 THR 59 HG22 THR 59 10.451 -9.585 5.891 432 3HG2 THR 59 HG23 THR 59 9.786 -7.955 5.992 433 H LEU 60 HN LEU 60 6.031 -8.245 4.926 434 HA LEU 60 HA LEU 60 6.295 -6.699 7.083 435 1HB LEU 60 HB2 LEU 60 3.892 -8.030 5.932 436 2HB LEU 60 HB1 LEU 60 3.716 -7.116 7.421 437 HG LEU 60 HG LEU 60 4.496 -5.106 6.342 438 1HD1 LEU 60 HD11 LEU 60 5.052 -6.940 4.049 439 2HD1 LEU 60 HD12 LEU 60 6.129 -5.785 4.830 440 3HD1 LEU 60 HD13 LEU 60 4.813 -5.211 3.807 441 1HD2 LEU 60 HD21 LEU 60 2.127 -5.606 6.163 442 2HD2 LEU 60 HD22 LEU 60 2.418 -6.536 4.694 443 3HD2 LEU 60 HD23 LEU 60 2.694 -4.793 4.706 444 HA PRO 61 HA PRO 61 6.714 -8.986 10.829 445 1HB PRO 61 HB2 PRO 61 4.919 -6.920 11.998 446 2HB PRO 61 HB1 PRO 61 6.530 -7.435 12.512 447 1HG PRO 61 HG2 PRO 61 6.179 -5.109 11.256 448 2HG PRO 61 HG1 PRO 61 7.599 -6.119 10.931 449 1HD PRO 61 HD2 PRO 61 5.133 -5.727 9.291 450 2HD PRO 61 HD1 PRO 61 6.818 -5.925 8.767 451 H GLU 62 HN GLU 62 5.149 -9.577 12.799 452 HA GLU 62 HA GLU 62 3.328 -11.424 11.926 453 1HB GLU 62 HB2 GLU 62 3.603 -9.972 14.541 454 2HB GLU 62 HB1 GLU 62 2.381 -11.214 14.300 455 1HG GLU 62 HG2 GLU 62 3.973 -12.565 15.086 456 2HG GLU 62 HG1 GLU 62 4.557 -12.523 13.426 457 H ASN 63 HN ASN 63 0.986 -11.235 13.100 458 HA ASN 63 HA ASN 63 -0.709 -10.140 11.416 459 1HB ASN 63 HB2 ASN 63 -1.209 -10.092 14.387 460 2HB ASN 63 HB1 ASN 63 -2.417 -10.201 13.112 461 1HD2 ASN 63 HD21 ASN 63 -2.592 -12.135 11.918 462 2HD2 ASN 63 HD22 ASN 63 -2.012 -13.632 12.558 463 H THR 64 HN THR 64 0.449 -8.201 10.747 464 HA THR 64 HA THR 64 -0.159 -5.890 12.495 465 HB THR 64 HB THR 64 1.659 -4.729 11.154 466 HG1 THR 64 HG1 THR 64 2.467 -7.355 10.516 467 1HG2 THR 64 HG21 THR 64 3.207 -5.250 12.690 468 2HG2 THR 64 HG22 THR 64 3.020 -6.988 12.450 469 3HG2 THR 64 HG23 THR 64 1.864 -6.105 13.451 470 H THR 65 HN THR 65 -0.480 -3.808 11.350 471 HA THR 65 HA THR 65 -2.094 -4.193 8.917 472 HB THR 65 HB THR 65 -2.482 -1.805 10.616 473 HG1 THR 65 HG1 THR 65 -3.159 -2.856 12.288 474 1HG2 THR 65 HG21 THR 65 -3.855 -2.938 8.502 475 2HG2 THR 65 HG22 THR 65 -4.419 -1.642 9.555 476 3HG2 THR 65 HG23 THR 65 -4.839 -3.317 9.918 477 H LYS 66 HN LYS 66 -0.009 -3.934 7.839 478 HA LYS 66 HA LYS 66 1.483 -1.544 7.919 479 1HB LYS 66 HB2 LYS 66 2.311 -3.717 7.051 480 2HB LYS 66 HB1 LYS 66 1.244 -3.539 5.663 481 1HG LYS 66 HG2 LYS 66 3.450 -2.911 5.020 482 2HG LYS 66 HG1 LYS 66 2.450 -1.458 5.070 483 1HD LYS 66 HD2 LYS 66 3.595 -0.575 6.813 484 2HD LYS 66 HD1 LYS 66 3.880 -2.147 7.557 485 1HE LYS 66 HE2 LYS 66 5.464 -2.513 5.528 486 2HE LYS 66 HE1 LYS 66 5.426 -0.754 5.413 487 1HZ LYS 66 HZ1 LYS 66 5.864 -1.483 8.090 488 2HZ LYS 66 HZ2 LYS 66 6.895 -0.642 7.047 489 3HZ LYS 66 HZ3 LYS 66 6.963 -2.332 7.123 490 H THR 67 HN THR 67 0.488 0.357 7.530 491 HA THR 67 HA THR 67 -1.445 0.555 5.368 492 HB THR 67 HB THR 67 -1.932 1.626 7.517 493 HG1 THR 67 HG1 THR 67 -1.495 3.574 5.513 494 1HG2 THR 67 HG21 THR 67 -0.512 2.882 8.645 495 2HG2 THR 67 HG22 THR 67 -0.291 3.951 7.261 496 3HG2 THR 67 HG23 THR 67 0.709 2.510 7.433 497 H LEU 68 HN LEU 68 -0.932 1.205 3.393 498 HA LEU 68 HA LEU 68 1.694 2.363 2.947 499 1HB LEU 68 HB2 LEU 68 0.586 1.905 0.478 500 2HB LEU 68 HB1 LEU 68 1.695 0.852 1.325 501 HG LEU 68 HG LEU 68 -1.241 0.606 1.731 502 1HD1 LEU 68 HD11 LEU 68 -0.938 0.498 -0.660 503 2HD1 LEU 68 HD12 LEU 68 -1.260 -1.113 -0.031 504 3HD1 LEU 68 HD13 LEU 68 0.379 -0.647 -0.465 505 1HD2 LEU 68 HD21 LEU 68 -0.317 -0.779 3.255 506 2HD2 LEU 68 HD22 LEU 68 1.184 -0.943 2.351 507 3HD2 LEU 68 HD23 LEU 68 -0.234 -1.865 1.868 508 H THR 69 HN THR 69 1.712 4.511 3.035 509 HA THR 69 HA THR 69 -0.502 5.981 1.779 510 HB THR 69 HB THR 69 1.479 7.311 3.587 511 HG1 THR 69 HG1 THR 69 0.735 5.415 4.685 512 1HG2 THR 69 HG21 THR 69 0.084 8.999 3.334 513 2HG2 THR 69 HG22 THR 69 -1.137 8.066 4.193 514 3HG2 THR 69 HG23 THR 69 -1.047 7.991 2.433 515 H PHE 70 HN PHE 70 -0.085 7.055 -0.041 516 HA PHE 70 HA PHE 70 2.630 7.222 -1.030 517 1HB PHE 70 HB2 PHE 70 -0.020 8.005 -2.260 518 2HB PHE 70 HB1 PHE 70 1.522 8.018 -3.092 519 HD1 PHE 70 HD1 PHE 70 -1.322 6.332 -3.134 520 HD2 PHE 70 HD2 PHE 70 2.784 5.556 -2.355 521 HE1 PHE 70 HE1 PHE 70 -1.652 3.974 -3.756 522 HE2 PHE 70 HE2 PHE 70 2.460 3.197 -2.980 523 HZ PHE 70 HZ PHE 70 0.238 2.405 -3.680 524 H ASP 71 HN ASP 71 3.869 8.949 -0.621 525 HA ASP 71 HA ASP 71 2.825 11.305 0.572 526 1HB ASP 71 HB2 ASP 71 5.076 10.609 1.043 527 2HB ASP 71 HB1 ASP 71 5.516 10.741 -0.649 528 H PHE 72 HN PHE 72 1.263 11.938 -0.823 529 HA PHE 72 HA PHE 72 1.995 12.907 -3.465 530 1HB PHE 72 HB2 PHE 72 -0.456 12.070 -2.152 531 2HB PHE 72 HB1 PHE 72 -0.659 13.598 -2.999 532 HD1 PHE 72 HD1 PHE 72 -1.634 13.320 -5.039 533 HD2 PHE 72 HD2 PHE 72 1.184 10.430 -3.714 534 HE1 PHE 72 HE1 PHE 72 -1.878 12.113 -7.169 535 HE2 PHE 72 HE2 PHE 72 0.948 9.218 -5.841 536 HZ PHE 72 HZ PHE 72 -0.583 10.062 -7.570 537 H GLY 73 HN GLY 73 2.793 14.149 -0.784 538 1HA GLY 73 HA2 GLY 73 3.108 16.256 0.056 539 2HA GLY 73 HA1 GLY 73 2.835 16.819 -1.583 540 H VAL 74 HN VAL 74 0.231 15.040 -0.339 541 HA VAL 74 HA VAL 74 -1.244 17.541 0.106 542 HB VAL 74 HB VAL 74 -3.291 16.150 -0.226 543 1HG1 VAL 74 HG11 VAL 74 -1.250 16.720 -2.274 544 2HG1 VAL 74 HG12 VAL 74 -2.931 17.245 -2.165 545 3HG1 VAL 74 HG13 VAL 74 -2.548 15.628 -2.759 546 1HG2 VAL 74 HG21 VAL 74 -2.113 13.992 0.365 547 2HG2 VAL 74 HG22 VAL 74 -1.421 14.026 -1.252 548 3HG2 VAL 74 HG23 VAL 74 -3.170 13.931 -1.039 549 H GLY 75 HN GLY 75 -0.519 14.388 1.495 550 1HA GLY 75 HA2 GLY 75 -0.603 13.686 3.685 551 2HA GLY 75 HA1 GLY 75 -0.895 15.348 4.149 552 H THR 76 HN THR 76 -3.156 16.106 3.597 553 HA THR 76 HA THR 76 -5.006 14.614 5.070 554 HB THR 76 HB THR 76 -5.611 16.770 3.043 555 HG1 THR 76 HG1 THR 76 -4.689 16.888 5.701 556 1HG2 THR 76 HG21 THR 76 -7.133 15.786 5.440 557 2HG2 THR 76 HG22 THR 76 -7.651 15.795 3.753 558 3HG2 THR 76 HG23 THR 76 -7.461 17.317 4.625 559 H LYS 77 HN LYS 77 -5.132 15.335 1.575 560 HA LYS 77 HA LYS 77 -6.987 13.171 1.174 561 1HB LYS 77 HB2 LYS 77 -5.795 14.791 -1.039 562 2HB LYS 77 HB1 LYS 77 -7.385 14.051 -0.947 563 1HG LYS 77 HG2 LYS 77 -7.208 15.921 1.157 564 2HG LYS 77 HG1 LYS 77 -6.615 16.707 -0.303 565 1HD LYS 77 HD2 LYS 77 -9.034 15.112 -0.706 566 2HD LYS 77 HD1 LYS 77 -9.247 16.463 0.406 567 1HE LYS 77 HE2 LYS 77 -8.344 16.532 -2.457 568 2HE LYS 77 HE1 LYS 77 -9.758 17.302 -1.736 569 1HZ LYS 77 HZ1 LYS 77 -8.465 19.101 -1.652 570 2HZ LYS 77 HZ2 LYS 77 -7.037 18.225 -1.872 571 3HZ LYS 77 HZ3 LYS 77 -7.713 18.363 -0.328 572 H ASN 78 HN ASN 78 -3.905 13.025 1.724 573 HA ASN 78 HA ASN 78 -2.604 11.852 -0.413 574 1HB ASN 78 HB2 ASN 78 -2.183 12.097 2.398 575 2HB ASN 78 HB1 ASN 78 -1.832 10.443 1.925 576 1HD2 ASN 78 HD21 ASN 78 0.322 11.185 2.657 577 2HD2 ASN 78 HD22 ASN 78 1.356 11.919 1.488 578 HA PRO 79 HA PRO 79 -5.223 8.232 -0.942 579 1HB PRO 79 HB2 PRO 79 -3.716 7.135 -2.954 580 2HB PRO 79 HB1 PRO 79 -4.935 8.386 -3.203 581 1HG PRO 79 HG2 PRO 79 -1.965 8.652 -2.975 582 2HG PRO 79 HG1 PRO 79 -3.080 9.474 -4.081 583 1HD PRO 79 HD2 PRO 79 -2.090 10.686 -1.884 584 2HD PRO 79 HD1 PRO 79 -3.733 11.010 -2.477 585 H LYS 80 HN LYS 80 -4.774 7.194 0.997 586 HA LYS 80 HA LYS 80 -2.421 5.418 0.978 587 1HB LYS 80 HB2 LYS 80 -3.420 5.535 3.600 588 2HB LYS 80 HB1 LYS 80 -1.931 6.240 2.995 589 1HG LYS 80 HG2 LYS 80 -2.933 8.342 2.670 590 2HG LYS 80 HG1 LYS 80 -4.560 7.677 2.833 591 1HD LYS 80 HD2 LYS 80 -4.458 7.627 5.106 592 2HD LYS 80 HD1 LYS 80 -2.719 7.328 5.130 593 1HE LYS 80 HE2 LYS 80 -2.723 9.803 4.110 594 2HE LYS 80 HE1 LYS 80 -4.212 9.881 5.048 595 1HZ LYS 80 HZ1 LYS 80 -2.275 10.605 6.322 596 2HZ LYS 80 HZ2 LYS 80 -1.562 9.084 6.123 597 3HZ LYS 80 HZ3 LYS 80 -2.990 9.236 7.012 598 H LEU 81 HN LEU 81 -2.740 3.358 2.181 599 HA LEU 81 HA LEU 81 -5.469 2.453 2.422 600 1HB LEU 81 HB2 LEU 81 -5.421 0.735 0.838 601 2HB LEU 81 HB1 LEU 81 -4.764 2.129 0.006 602 HG LEU 81 HG LEU 81 -2.458 1.142 0.674 603 1HD1 LEU 81 HD11 LEU 81 -3.130 -1.528 0.429 604 2HD1 LEU 81 HD12 LEU 81 -4.299 -0.897 1.590 605 3HD1 LEU 81 HD13 LEU 81 -2.572 -0.719 1.892 606 1HD2 LEU 81 HD21 LEU 81 -2.759 1.177 -1.572 607 2HD2 LEU 81 HD22 LEU 81 -4.318 0.356 -1.490 608 3HD2 LEU 81 HD23 LEU 81 -2.824 -0.563 -1.320 609 H THR 82 HN THR 82 -5.671 1.125 4.092 610 HA THR 82 HA THR 82 -3.315 0.374 5.558 611 HB THR 82 HB THR 82 -5.119 1.124 6.879 612 HG1 THR 82 HG1 THR 82 -5.683 -0.819 8.070 613 1HG2 THR 82 HG21 THR 82 -6.822 -0.813 5.360 614 2HG2 THR 82 HG22 THR 82 -7.021 0.926 5.525 615 3HG2 THR 82 HG23 THR 82 -7.309 -0.126 6.906 616 H ILE 83 HN ILE 83 -2.171 -1.361 5.025 617 HA ILE 83 HA ILE 83 -3.545 -3.694 3.916 618 HB ILE 83 HB ILE 83 -0.827 -2.618 3.658 619 1HG1 ILE 83 HG12 ILE 83 -2.751 -4.258 2.051 620 2HG1 ILE 83 HG11 ILE 83 -2.095 -2.667 1.700 621 1HG2 ILE 83 HG21 ILE 83 -1.202 -5.594 3.948 622 2HG2 ILE 83 HG22 ILE 83 -0.245 -4.549 5.001 623 3HG2 ILE 83 HG23 ILE 83 0.244 -4.807 3.328 624 1HD1 ILE 83 HD11 ILE 83 0.031 -3.621 1.132 625 2HD1 ILE 83 HD12 ILE 83 -1.236 -4.434 0.222 626 3HD1 ILE 83 HD13 ILE 83 -0.519 -5.220 1.629 627 H THR 84 HN THR 84 -4.091 -5.281 5.205 628 HA THR 84 HA THR 84 -2.834 -5.487 7.838 629 HB THR 84 HB THR 84 -5.195 -7.139 7.090 630 HG1 THR 84 HG1 THR 84 -6.506 -5.277 7.676 631 1HG2 THR 84 HG21 THR 84 -5.824 -6.936 9.313 632 2HG2 THR 84 HG22 THR 84 -4.833 -5.502 9.566 633 3HG2 THR 84 HG23 THR 84 -4.069 -7.082 9.387 634 H VAL 85 HN VAL 85 -1.090 -6.765 7.816 635 HA VAL 85 HA VAL 85 -1.108 -9.153 6.153 636 HB VAL 85 HB VAL 85 0.883 -7.884 5.981 637 1HG1 VAL 85 HG11 VAL 85 0.539 -7.540 8.820 638 2HG1 VAL 85 HG12 VAL 85 1.527 -6.611 7.692 639 3HG1 VAL 85 HG13 VAL 85 2.179 -8.069 8.443 640 1HG2 VAL 85 HG21 VAL 85 2.262 -9.806 7.546 641 2HG2 VAL 85 HG22 VAL 85 2.016 -9.774 5.800 642 3HG2 VAL 85 HG23 VAL 85 0.840 -10.576 6.842 643 H LEU 86 HN LEU 86 -1.721 -10.961 6.895 644 HA LEU 86 HA LEU 86 -1.721 -11.479 9.782 645 1HB LEU 86 HB2 LEU 86 -3.229 -13.155 7.822 646 2HB LEU 86 HB1 LEU 86 -3.576 -12.845 9.513 647 HG LEU 86 HG LEU 86 -3.876 -10.780 7.334 648 1HD1 LEU 86 HD11 LEU 86 -5.457 -13.035 7.737 649 2HD1 LEU 86 HD12 LEU 86 -5.876 -11.591 6.817 650 3HD1 LEU 86 HD13 LEU 86 -6.333 -11.715 8.515 651 1HD2 LEU 86 HD21 LEU 86 -4.673 -9.356 8.915 652 2HD2 LEU 86 HD22 LEU 86 -3.571 -10.288 9.929 653 3HD2 LEU 86 HD23 LEU 86 -5.297 -10.655 9.933 654 HA PRO 87 HA PRO 87 1.646 -14.146 7.928 655 1HB PRO 87 HB2 PRO 87 3.336 -13.697 10.050 656 2HB PRO 87 HB1 PRO 87 3.309 -12.716 8.589 657 1HG PRO 87 HG2 PRO 87 2.008 -12.224 11.232 658 2HG PRO 87 HG1 PRO 87 2.890 -11.094 10.189 659 1HD PRO 87 HD2 PRO 87 0.221 -11.130 10.278 660 2HD PRO 87 HD1 PRO 87 1.088 -10.823 8.763 661 H LYS 88 HN LYS 88 3.150 -15.452 9.928 662 HA LYS 88 HA LYS 88 1.434 -17.565 10.598 663 1HB LYS 88 HB2 LYS 88 3.995 -17.249 12.062 664 2HB LYS 88 HB1 LYS 88 3.324 -18.644 11.246 665 1HG LYS 88 HG2 LYS 88 4.893 -18.274 9.712 666 2HG LYS 88 HG1 LYS 88 3.816 -16.994 9.144 667 1HD LYS 88 HD2 LYS 88 5.290 -15.422 9.712 668 2HD LYS 88 HD1 LYS 88 5.421 -16.065 11.350 669 1HE LYS 88 HE2 LYS 88 6.855 -17.907 10.020 670 2HE LYS 88 HE1 LYS 88 7.139 -16.507 8.989 671 1HZ LYS 88 HZ1 LYS 88 7.525 -16.417 11.923 672 2HZ LYS 88 HZ2 LYS 88 8.087 -15.320 10.764 673 3HZ LYS 88 HZ3 LYS 88 8.762 -16.869 10.863 674 H ASP 89 HN ASP 89 1.166 -18.428 12.826 675 HA ASP 89 HA ASP 89 0.143 -16.335 14.542 676 1HB ASP 89 HB2 ASP 89 -1.192 -18.348 14.193 677 2HB ASP 89 HB1 ASP 89 0.101 -19.345 14.842 678 H ILE 90 HN ILE 90 1.110 -15.535 16.291 679 HA ILE 90 HA ILE 90 3.123 -17.082 17.710 680 HB ILE 90 HB ILE 90 3.764 -14.355 16.581 681 1HG1 ILE 90 HG12 ILE 90 3.833 -16.172 14.897 682 2HG1 ILE 90 HG11 ILE 90 5.426 -15.494 15.216 683 1HG2 ILE 90 HG21 ILE 90 5.901 -14.560 17.616 684 2HG2 ILE 90 HG22 ILE 90 5.557 -16.214 18.129 685 3HG2 ILE 90 HG23 ILE 90 4.680 -14.865 18.852 686 1HD1 ILE 90 HD11 ILE 90 4.749 -18.163 15.214 687 2HD1 ILE 90 HD12 ILE 90 4.841 -17.756 16.929 688 3HD1 ILE 90 HD13 ILE 90 6.224 -17.456 15.876 689 HA PRO 91 HA PRO 91 1.101 -15.056 21.095 690 1HB PRO 91 HB2 PRO 91 2.895 -15.637 23.048 691 2HB PRO 91 HB1 PRO 91 1.778 -16.836 22.381 692 1HG PRO 91 HG2 PRO 91 4.666 -16.369 21.735 693 2HG PRO 91 HG1 PRO 91 3.807 -17.903 21.982 694 1HD PRO 91 HD2 PRO 91 4.385 -16.936 19.519 695 2HD PRO 91 HD1 PRO 91 2.933 -17.900 19.849 696 H GLY 92 HN GLY 92 1.077 -12.890 21.126 697 1HA GLY 92 HA2 GLY 92 3.570 -11.507 21.883 698 2HA GLY 92 HA1 GLY 92 2.592 -10.912 20.550 699 H LEU 93 HN LEU 93 1.293 -12.266 23.517 700 HA LEU 93 HA LEU 93 -0.222 -9.850 23.965 701 1HB LEU 93 HB2 LEU 93 -0.679 -12.514 24.450 702 2HB LEU 93 HB1 LEU 93 -0.305 -11.904 26.051 703 HG LEU 93 HG LEU 93 -2.072 -10.034 25.292 704 1HD1 LEU 93 HD11 LEU 93 -3.679 -12.184 24.257 705 2HD1 LEU 93 HD12 LEU 93 -2.270 -11.908 23.234 706 3HD1 LEU 93 HD13 LEU 93 -3.377 -10.582 23.583 707 1HD2 LEU 93 HD21 LEU 93 -3.199 -10.862 27.024 708 2HD2 LEU 93 HD22 LEU 93 -1.985 -12.143 27.081 709 3HD2 LEU 93 HD23 LEU 93 -3.492 -12.391 26.197 710 H GLU 94 HN GLU 94 1.567 -8.429 24.409 711 HA GLU 94 HA GLU 94 2.921 -8.870 26.970 712 1HB GLU 94 HB2 GLU 94 4.357 -6.957 26.266 713 2HB GLU 94 HB1 GLU 94 4.413 -8.326 25.161 714 1HG GLU 94 HG2 GLU 94 3.408 -7.190 23.479 715 2HG GLU 94 HG1 GLU 94 2.443 -6.201 24.572 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -2.839 22.003 -1.955 2 2H MET 1 HT2 MET 1 -2.960 22.633 -0.362 3 3H MET 1 HT3 MET 1 -4.056 23.151 -1.578 4 HA MET 1 HA MET 1 -3.947 20.666 -0.076 5 1HB MET 1 HB2 MET 1 -5.892 22.796 -0.840 6 2HB MET 1 HB1 MET 1 -6.519 21.186 -0.524 7 1HG MET 1 HG2 MET 1 -4.966 21.487 1.631 8 2HG MET 1 HG1 MET 1 -5.370 23.173 1.318 9 1HE MET 1 HE1 MET 1 -8.118 19.682 2.037 10 2HE MET 1 HE2 MET 1 -7.090 20.052 3.421 11 3HE MET 1 HE3 MET 1 -6.366 19.718 1.848 12 H GLN 2 HN GLN 2 -2.843 19.616 -1.984 13 HA GLN 2 HA GLN 2 -4.277 19.239 -4.411 14 1HB GLN 2 HB2 GLN 2 -2.218 17.311 -3.379 15 2HB GLN 2 HB1 GLN 2 -2.559 17.775 -5.039 16 1HG GLN 2 HG2 GLN 2 -1.772 20.089 -3.569 17 2HG GLN 2 HG1 GLN 2 -0.595 18.803 -3.310 18 1HE2 GLN 2 HE21 GLN 2 0.979 18.727 -4.724 19 2HE2 GLN 2 HE22 GLN 2 0.923 19.300 -6.353 20 H ASP 3 HN ASP 3 -5.346 17.369 -5.163 21 HA ASP 3 HA ASP 3 -6.319 15.574 -3.046 22 1HB ASP 3 HB2 ASP 3 -7.816 17.381 -4.640 23 2HB ASP 3 HB1 ASP 3 -8.250 15.744 -5.118 24 HA PRO 4 HA PRO 4 -4.509 12.951 -6.371 25 1HB PRO 4 HB2 PRO 4 -3.395 11.352 -4.236 26 2HB PRO 4 HB1 PRO 4 -2.549 12.301 -5.455 27 1HG PRO 4 HG2 PRO 4 -2.572 12.926 -2.793 28 2HG PRO 4 HG1 PRO 4 -2.350 14.121 -4.084 29 1HD PRO 4 HD2 PRO 4 -4.812 13.458 -2.514 30 2HD PRO 4 HD1 PRO 4 -4.201 15.042 -3.042 31 H THR 5 HN THR 5 -5.093 10.826 -6.989 32 HA THR 5 HA THR 5 -7.161 9.625 -5.274 33 HB THR 5 HB THR 5 -7.271 8.903 -8.110 34 HG1 THR 5 HG1 THR 5 -7.920 11.555 -7.361 35 1HG2 THR 5 HG21 THR 5 -9.139 9.532 -5.928 36 2HG2 THR 5 HG22 THR 5 -9.221 8.290 -7.179 37 3HG2 THR 5 HG23 THR 5 -9.670 9.953 -7.556 38 H ILE 6 HN ILE 6 -7.239 7.406 -5.041 39 HA ILE 6 HA ILE 6 -5.116 5.807 -6.277 40 HB ILE 6 HB ILE 6 -4.219 6.491 -4.114 41 1HG1 ILE 6 HG12 ILE 6 -3.840 4.225 -3.152 42 2HG1 ILE 6 HG11 ILE 6 -5.101 3.602 -4.210 43 1HG2 ILE 6 HG21 ILE 6 -5.296 5.990 -2.039 44 2HG2 ILE 6 HG22 ILE 6 -6.573 5.088 -2.859 45 3HG2 ILE 6 HG23 ILE 6 -6.465 6.838 -3.054 46 1HD1 ILE 6 HD11 ILE 6 -2.943 3.124 -5.143 47 2HD1 ILE 6 HD12 ILE 6 -2.487 4.825 -5.054 48 3HD1 ILE 6 HD13 ILE 6 -3.766 4.312 -6.157 49 H ASN 7 HN ASN 7 -5.678 3.700 -6.653 50 HA ASN 7 HA ASN 7 -8.295 3.033 -6.921 51 1HB ASN 7 HB2 ASN 7 -7.113 0.556 -6.476 52 2HB ASN 7 HB1 ASN 7 -7.426 1.330 -8.014 53 1HD2 ASN 7 HD21 ASN 7 -5.057 2.337 -5.560 54 2HD2 ASN 7 HD22 ASN 7 -3.682 2.072 -6.559 55 HA PRO 8 HA PRO 8 -9.255 1.194 -3.077 56 1HB PRO 8 HB2 PRO 8 -7.877 -0.714 -1.978 57 2HB PRO 8 HB1 PRO 8 -8.500 -0.936 -3.591 58 1HG PRO 8 HG2 PRO 8 -5.717 -0.444 -2.683 59 2HG PRO 8 HG1 PRO 8 -6.294 -1.302 -4.125 60 1HD PRO 8 HD2 PRO 8 -5.447 1.438 -3.902 61 2HD PRO 8 HD1 PRO 8 -6.009 0.571 -5.341 62 H THR 9 HN THR 9 -8.780 0.616 -0.601 63 HA THR 9 HA THR 9 -6.705 2.261 0.568 64 HB THR 9 HB THR 9 -9.608 2.820 1.181 65 HG1 THR 9 HG1 THR 9 -7.781 4.076 -0.541 66 1HG2 THR 9 HG21 THR 9 -7.771 4.910 1.862 67 2HG2 THR 9 HG22 THR 9 -7.320 3.406 2.665 68 3HG2 THR 9 HG23 THR 9 -8.940 4.068 2.876 69 H SER 10 HN SER 10 -8.012 -0.590 0.503 70 HA SER 10 HA SER 10 -7.298 -1.234 3.180 71 1HB SER 10 HB2 SER 10 -9.417 -0.413 3.840 72 2HB SER 10 HB1 SER 10 -10.222 -1.163 2.462 73 HG SER 10 HG SER 10 -9.140 -2.415 4.757 74 H ILE 11 HN ILE 11 -6.939 -3.366 3.493 75 HA ILE 11 HA ILE 11 -8.009 -5.454 1.889 76 HB ILE 11 HB ILE 11 -6.601 -4.947 0.118 77 1HG1 ILE 11 HG12 ILE 11 -4.890 -6.733 1.858 78 2HG1 ILE 11 HG11 ILE 11 -6.217 -7.268 0.831 79 1HG2 ILE 11 HG21 ILE 11 -5.060 -3.598 2.126 80 2HG2 ILE 11 HG22 ILE 11 -5.109 -3.337 0.382 81 3HG2 ILE 11 HG23 ILE 11 -4.010 -4.537 1.063 82 1HD1 ILE 11 HD11 ILE 11 -4.998 -6.550 -1.136 83 2HD1 ILE 11 HD12 ILE 11 -4.042 -7.686 -0.183 84 3HD1 ILE 11 HD13 ILE 11 -3.682 -5.960 -0.123 85 H SER 12 HN SER 12 -7.090 -7.582 2.523 86 HA SER 12 HA SER 12 -5.324 -7.602 4.815 87 1HB SER 12 HB2 SER 12 -7.555 -9.200 5.596 88 2HB SER 12 HB1 SER 12 -6.854 -7.808 6.417 89 HG SER 12 HG SER 12 -8.916 -7.841 4.478 90 H ALA 13 HN ALA 13 -4.190 -9.426 4.979 91 HA ALA 13 HA ALA 13 -5.046 -11.968 4.115 92 1HB ALA 13 HB1 ALA 13 -2.809 -11.302 2.371 93 2HB ALA 13 HB2 ALA 13 -4.272 -10.388 2.003 94 3HB ALA 13 HB3 ALA 13 -4.312 -12.151 2.012 95 H LYS 14 HN LYS 14 -3.243 -13.555 4.207 96 HA LYS 14 HA LYS 14 -1.645 -13.079 6.514 97 1HB LYS 14 HB2 LYS 14 -2.392 -15.311 6.211 98 2HB LYS 14 HB1 LYS 14 -1.819 -15.362 4.554 99 1HG LYS 14 HG2 LYS 14 0.520 -15.045 5.644 100 2HG LYS 14 HG1 LYS 14 -0.289 -15.627 7.097 101 1HD LYS 14 HD2 LYS 14 -0.357 -17.075 4.456 102 2HD LYS 14 HD1 LYS 14 0.834 -17.399 5.715 103 1HE LYS 14 HE2 LYS 14 -0.615 -18.583 6.934 104 2HE LYS 14 HE1 LYS 14 -1.893 -17.385 6.721 105 1HZ LYS 14 HZ1 LYS 14 -1.141 -19.324 4.610 106 2HZ LYS 14 HZ2 LYS 14 -2.522 -18.349 4.679 107 3HZ LYS 14 HZ3 LYS 14 -2.341 -19.639 5.760 108 H ALA 15 HN ALA 15 0.675 -12.963 6.630 109 HA ALA 15 HA ALA 15 1.785 -11.365 4.606 110 1HB ALA 15 HB1 ALA 15 3.825 -12.696 6.172 111 2HB ALA 15 HB2 ALA 15 2.541 -12.044 7.189 112 3HB ALA 15 HB3 ALA 15 3.419 -10.983 6.082 113 H GLY 16 HN GLY 16 1.961 -12.038 2.680 114 1HA GLY 16 HA2 GLY 16 3.712 -13.218 1.298 115 2HA GLY 16 HA1 GLY 16 3.191 -14.662 2.164 116 H SER 17 HN SER 17 0.405 -13.963 2.237 117 HA SER 17 HA SER 17 -0.381 -15.026 -0.268 118 1HB SER 17 HB2 SER 17 -2.587 -13.856 1.041 119 2HB SER 17 HB1 SER 17 -2.119 -15.550 1.032 120 HG SER 17 HG SER 17 -0.917 -15.199 2.879 121 H PHE 18 HN PHE 18 0.865 -12.160 0.257 122 HA PHE 18 HA PHE 18 -1.056 -10.576 -1.219 123 1HB PHE 18 HB2 PHE 18 1.487 -9.922 0.234 124 2HB PHE 18 HB1 PHE 18 0.549 -8.759 -0.658 125 HD1 PHE 18 HD1 PHE 18 1.191 -9.944 2.491 126 HD2 PHE 18 HD2 PHE 18 -2.074 -8.825 0.006 127 HE1 PHE 18 HE1 PHE 18 -0.182 -9.550 4.490 128 HE2 PHE 18 HE2 PHE 18 -3.459 -8.428 2.004 129 HZ PHE 18 HZ PHE 18 -2.508 -8.794 4.249 130 H ALA 19 HN ALA 19 -0.726 -11.719 -3.192 131 HA ALA 19 HA ALA 19 1.820 -11.938 -4.420 132 1HB ALA 19 HB1 ALA 19 -0.177 -13.308 -5.015 133 2HB ALA 19 HB2 ALA 19 0.649 -12.601 -6.402 134 3HB ALA 19 HB3 ALA 19 -0.848 -11.885 -5.815 135 H ASP 20 HN ASP 20 2.914 -10.603 -5.759 136 HA ASP 20 HA ASP 20 2.927 -7.947 -5.616 137 1HB ASP 20 HB2 ASP 20 4.586 -9.143 -6.918 138 2HB ASP 20 HB1 ASP 20 3.387 -9.535 -8.145 139 H THR 21 HN THR 21 1.681 -6.251 -6.102 140 HA THR 21 HA THR 21 -0.332 -6.555 -8.207 141 HB THR 21 HB THR 21 -0.884 -5.708 -5.363 142 HG1 THR 21 HG1 THR 21 -2.194 -7.435 -5.341 143 1HG2 THR 21 HG21 THR 21 -3.074 -5.065 -5.936 144 2HG2 THR 21 HG22 THR 21 -2.874 -5.607 -7.604 145 3HG2 THR 21 HG23 THR 21 -1.997 -4.189 -7.025 146 H LYS 22 HN LYS 22 -0.468 -4.839 -9.480 147 HA LYS 22 HA LYS 22 1.133 -2.538 -8.845 148 1HB LYS 22 HB2 LYS 22 0.002 -2.084 -11.333 149 2HB LYS 22 HB1 LYS 22 1.604 -2.723 -11.019 150 1HG LYS 22 HG2 LYS 22 0.579 -4.163 -12.583 151 2HG LYS 22 HG1 LYS 22 0.581 -5.015 -11.036 152 1HD LYS 22 HD2 LYS 22 -1.785 -3.952 -10.771 153 2HD LYS 22 HD1 LYS 22 -1.697 -3.785 -12.527 154 1HE LYS 22 HE2 LYS 22 -1.690 -6.279 -10.863 155 2HE LYS 22 HE1 LYS 22 -2.740 -5.848 -12.213 156 1HZ LYS 22 HZ1 LYS 22 -1.377 -7.133 -13.401 157 2HZ LYS 22 HZ2 LYS 22 -0.158 -7.116 -12.230 158 3HZ LYS 22 HZ3 LYS 22 -0.282 -5.845 -13.336 159 H ILE 23 HN ILE 23 0.339 -0.762 -8.024 160 HA ILE 23 HA ILE 23 -2.538 -0.343 -7.990 161 HB ILE 23 HB ILE 23 -0.414 0.129 -6.148 162 1HG1 ILE 23 HG12 ILE 23 -3.406 0.215 -6.127 163 2HG1 ILE 23 HG11 ILE 23 -2.326 -0.931 -5.359 164 1HG2 ILE 23 HG21 ILE 23 -1.981 2.588 -6.891 165 2HG2 ILE 23 HG22 ILE 23 -0.233 2.381 -6.901 166 3HG2 ILE 23 HG23 ILE 23 -1.110 2.402 -5.371 167 1HD1 ILE 23 HD11 ILE 23 -2.665 0.160 -3.471 168 2HD1 ILE 23 HD12 ILE 23 -3.490 1.474 -4.308 169 3HD1 ILE 23 HD13 ILE 23 -1.732 1.492 -4.150 170 H THR 24 HN THR 24 -3.431 1.776 -8.431 171 HA THR 24 HA THR 24 -1.829 3.283 -10.387 172 HB THR 24 HB THR 24 -3.865 2.032 -11.248 173 HG1 THR 24 HG1 THR 24 -4.194 3.587 -12.698 174 1HG2 THR 24 HG21 THR 24 -5.964 2.514 -10.655 175 2HG2 THR 24 HG22 THR 24 -5.622 4.232 -10.450 176 3HG2 THR 24 HG23 THR 24 -5.220 3.092 -9.166 177 H LEU 25 HN LEU 25 -1.177 5.156 -9.599 178 HA LEU 25 HA LEU 25 -2.781 6.485 -7.554 179 1HB LEU 25 HB2 LEU 25 0.067 6.263 -8.232 180 2HB LEU 25 HB1 LEU 25 -0.450 7.831 -7.673 181 HG LEU 25 HG LEU 25 -1.587 6.296 -5.779 182 1HD1 LEU 25 HD11 LEU 25 -0.668 4.290 -5.466 183 2HD1 LEU 25 HD12 LEU 25 0.948 4.866 -5.845 184 3HD1 LEU 25 HD13 LEU 25 -0.151 4.423 -7.146 185 1HD2 LEU 25 HD21 LEU 25 1.204 6.697 -5.131 186 2HD2 LEU 25 HD22 LEU 25 -0.227 7.477 -4.464 187 3HD2 LEU 25 HD23 LEU 25 0.509 8.101 -5.938 188 H THR 26 HN THR 26 -4.229 7.799 -8.495 189 HA THR 26 HA THR 26 -3.815 9.119 -10.970 190 HB THR 26 HB THR 26 -5.841 9.943 -8.910 191 HG1 THR 26 HG1 THR 26 -6.060 7.739 -9.051 192 1HG2 THR 26 HG21 THR 26 -6.901 9.702 -11.515 193 2HG2 THR 26 HG22 THR 26 -5.412 10.638 -11.618 194 3HG2 THR 26 HG23 THR 26 -6.703 11.155 -10.535 195 HA PRO 27 HA PRO 27 -1.563 12.579 -9.137 196 1HB PRO 27 HB2 PRO 27 -0.125 13.166 -11.247 197 2HB PRO 27 HB1 PRO 27 0.090 11.588 -10.481 198 1HG PRO 27 HG2 PRO 27 -1.525 12.276 -12.909 199 2HG PRO 27 HG1 PRO 27 -0.349 10.972 -12.700 200 1HD PRO 27 HD2 PRO 27 -3.069 10.666 -12.395 201 2HD PRO 27 HD1 PRO 27 -1.853 9.617 -11.639 202 H ASN 28 HN ASN 28 -4.058 12.479 -11.194 203 HA ASN 28 HA ASN 28 -4.385 14.475 -12.800 204 1HB ASN 28 HB2 ASN 28 -6.098 12.757 -11.550 205 2HB ASN 28 HB1 ASN 28 -6.662 14.315 -10.959 206 1HD2 ASN 28 HD21 ASN 28 -7.894 15.532 -12.243 207 2HD2 ASN 28 HD22 ASN 28 -8.241 15.191 -13.898 208 H GLY 29 HN GLY 29 -2.790 15.826 -11.751 209 1HA GLY 29 HA2 GLY 29 -2.836 18.242 -11.379 210 2HA GLY 29 HA1 GLY 29 -4.115 17.967 -10.211 211 H ASN 30 HN ASN 30 -2.669 15.599 -9.174 212 HA ASN 30 HA ASN 30 -0.718 17.034 -7.519 213 1HB ASN 30 HB2 ASN 30 -1.632 14.423 -6.561 214 2HB ASN 30 HB1 ASN 30 -1.538 15.962 -5.719 215 1HD2 ASN 30 HD21 ASN 30 -3.475 14.102 -7.999 216 2HD2 ASN 30 HD22 ASN 30 -4.983 14.848 -7.603 217 H THR 31 HN THR 31 1.130 15.725 -6.731 218 HA THR 31 HA THR 31 1.950 13.725 -8.726 219 HB THR 31 HB THR 31 3.269 15.700 -9.086 220 HG1 THR 31 HG1 THR 31 5.323 14.842 -8.660 221 1HG2 THR 31 HG21 THR 31 4.094 15.604 -6.196 222 2HG2 THR 31 HG22 THR 31 2.938 16.752 -6.871 223 3HG2 THR 31 HG23 THR 31 4.614 16.764 -7.420 224 H PHE 32 HN PHE 32 3.391 12.094 -7.987 225 HA PHE 32 HA PHE 32 3.026 11.488 -5.131 226 1HB PHE 32 HB2 PHE 32 1.958 9.857 -6.562 227 2HB PHE 32 HB1 PHE 32 3.438 9.646 -7.491 228 HD1 PHE 32 HD1 PHE 32 4.111 7.472 -7.182 229 HD2 PHE 32 HD2 PHE 32 2.878 9.755 -3.811 230 HE1 PHE 32 HE1 PHE 32 4.787 5.635 -5.694 231 HE2 PHE 32 HE2 PHE 32 3.552 7.919 -2.320 232 HZ PHE 32 HZ PHE 32 4.508 5.858 -3.260 233 H ASN 33 HN ASN 33 4.741 10.910 -3.862 234 HA ASN 33 HA ASN 33 7.402 11.245 -5.076 235 1HB ASN 33 HB2 ASN 33 6.206 12.509 -2.833 236 2HB ASN 33 HB1 ASN 33 7.503 11.481 -2.228 237 1HD2 ASN 33 HD21 ASN 33 7.491 14.289 -2.119 238 2HD2 ASN 33 HD22 ASN 33 8.790 14.871 -3.097 239 H GLY 34 HN GLY 34 5.551 9.398 -2.678 240 1HA GLY 34 HA2 GLY 34 6.351 6.900 -3.170 241 2HA GLY 34 HA1 GLY 34 7.757 7.532 -2.333 242 H ILE 35 HN ILE 35 6.253 5.366 -1.398 243 HA ILE 35 HA ILE 35 4.724 6.450 0.854 244 HB ILE 35 HB ILE 35 5.049 3.582 0.040 245 1HG1 ILE 35 HG12 ILE 35 2.548 5.171 -0.379 246 2HG1 ILE 35 HG11 ILE 35 3.838 5.226 -1.575 247 1HG2 ILE 35 HG21 ILE 35 3.091 3.215 1.478 248 2HG2 ILE 35 HG22 ILE 35 3.154 4.910 1.950 249 3HG2 ILE 35 HG23 ILE 35 4.483 3.834 2.367 250 1HD1 ILE 35 HD11 ILE 35 3.190 3.296 -2.434 251 2HD1 ILE 35 HD12 ILE 35 1.789 3.354 -1.366 252 3HD1 ILE 35 HD13 ILE 35 3.251 2.512 -0.856 253 H SER 36 HN SER 36 6.153 7.086 2.300 254 HA SER 36 HA SER 36 8.641 5.879 2.871 255 1HB SER 36 HB2 SER 36 8.496 8.105 3.580 256 2HB SER 36 HB1 SER 36 6.919 7.867 4.331 257 HG SER 36 HG SER 36 7.853 6.998 6.068 258 H GLU 37 HN GLU 37 5.469 5.484 4.364 259 HA GLU 37 HA GLU 37 6.145 3.984 6.549 260 1HB GLU 37 HB2 GLU 37 3.905 4.221 6.549 261 2HB GLU 37 HB1 GLU 37 3.810 4.251 4.798 262 1HG GLU 37 HG2 GLU 37 4.311 1.674 6.202 263 2HG GLU 37 HG1 GLU 37 2.676 2.339 6.118 264 H LEU 38 HN LEU 38 6.430 3.210 3.177 265 HA LEU 38 HA LEU 38 7.753 0.718 3.897 266 1HB LEU 38 HB2 LEU 38 6.832 -0.272 1.750 267 2HB LEU 38 HB1 LEU 38 5.757 -0.201 3.121 268 HG LEU 38 HG LEU 38 4.978 2.047 1.973 269 1HD1 LEU 38 HD11 LEU 38 6.472 0.593 -0.142 270 2HD1 LEU 38 HD12 LEU 38 6.301 2.327 0.127 271 3HD1 LEU 38 HD13 LEU 38 4.972 1.409 -0.574 272 1HD2 LEU 38 HD21 LEU 38 4.173 -0.736 1.723 273 2HD2 LEU 38 HD22 LEU 38 3.629 0.266 0.381 274 3HD2 LEU 38 HD23 LEU 38 3.198 0.697 2.036 275 H GLN 39 HN GLN 39 9.642 1.901 3.631 276 HA GLN 39 HA GLN 39 10.627 3.596 1.946 277 1HB GLN 39 HB2 GLN 39 12.160 1.048 2.416 278 2HB GLN 39 HB1 GLN 39 12.803 2.669 2.198 279 1HG GLN 39 HG2 GLN 39 11.625 3.288 4.343 280 2HG GLN 39 HG1 GLN 39 11.341 1.564 4.574 281 1HE2 GLN 39 HE21 GLN 39 13.504 4.119 4.973 282 2HE2 GLN 39 HE22 GLN 39 14.874 3.208 5.498 283 H SER 40 HN SER 40 9.557 3.600 0.178 284 HA SER 40 HA SER 40 8.666 2.674 -1.850 285 1HB SER 40 HB2 SER 40 10.238 3.658 -3.527 286 2HB SER 40 HB1 SER 40 9.823 4.745 -2.205 287 HG SER 40 HG SER 40 12.244 3.638 -2.884 288 H SER 41 HN SER 41 11.931 1.553 -1.185 289 HA SER 41 HA SER 41 12.305 -0.134 -3.329 290 1HB SER 41 HB2 SER 41 14.182 -0.390 -2.103 291 2HB SER 41 HB1 SER 41 13.351 0.040 -0.613 292 HG SER 41 HG SER 41 13.788 -2.014 -0.240 293 H GLN 42 HN GLN 42 10.128 -0.452 -0.657 294 HA GLN 42 HA GLN 42 9.520 -3.135 -0.656 295 1HB GLN 42 HB2 GLN 42 7.888 -0.658 -0.170 296 2HB GLN 42 HB1 GLN 42 7.334 -2.266 0.211 297 1HG GLN 42 HG2 GLN 42 8.623 -0.613 1.921 298 2HG GLN 42 HG1 GLN 42 8.508 -2.347 2.061 299 1HE2 GLN 42 HE21 GLN 42 10.262 -3.605 0.974 300 2HE2 GLN 42 HE22 GLN 42 11.863 -2.970 1.082 301 H TYR 43 HN TYR 43 8.501 -0.572 -2.735 302 HA TYR 43 HA TYR 43 6.955 -2.474 -4.370 303 1HB TYR 43 HB2 TYR 43 5.528 -0.559 -5.048 304 2HB TYR 43 HB1 TYR 43 5.425 -0.939 -3.338 305 HD1 TYR 43 HD1 TYR 43 8.095 1.034 -5.038 306 HD2 TYR 43 HD2 TYR 43 4.727 1.092 -2.440 307 HE1 TYR 43 HE1 TYR 43 8.570 3.376 -4.489 308 HE2 TYR 43 HE2 TYR 43 5.199 3.442 -1.885 309 HH TYR 43 HH TYR 43 8.096 5.063 -3.043 310 H THR 44 HN THR 44 6.437 -1.088 -6.519 311 HA THR 44 HA THR 44 8.964 -0.183 -7.675 312 HB THR 44 HB THR 44 7.110 -1.807 -9.359 313 HG1 THR 44 HG1 THR 44 8.996 -2.966 -7.590 314 1HG2 THR 44 HG21 THR 44 10.104 -1.901 -9.263 315 2HG2 THR 44 HG22 THR 44 9.220 -0.698 -10.208 316 3HG2 THR 44 HG23 THR 44 9.026 -2.417 -10.559 317 H LYS 45 HN LYS 45 8.252 1.887 -7.565 318 HA LYS 45 HA LYS 45 5.698 2.773 -8.359 319 1HB LYS 45 HB2 LYS 45 7.491 4.938 -8.650 320 2HB LYS 45 HB1 LYS 45 6.383 4.618 -7.328 321 1HG LYS 45 HG2 LYS 45 8.496 4.921 -6.353 322 2HG LYS 45 HG1 LYS 45 8.204 3.182 -6.326 323 1HD LYS 45 HD2 LYS 45 9.511 3.065 -8.493 324 2HD LYS 45 HD1 LYS 45 9.982 4.739 -8.192 325 1HE LYS 45 HE2 LYS 45 10.361 2.810 -5.976 326 2HE LYS 45 HE1 LYS 45 11.430 2.649 -7.367 327 1HZ LYS 45 HZ1 LYS 45 11.649 4.447 -5.271 328 2HZ LYS 45 HZ2 LYS 45 11.229 5.364 -6.629 329 3HZ LYS 45 HZ3 LYS 45 12.600 4.375 -6.668 330 H GLY 46 HN GLY 46 5.279 4.362 -10.037 331 1HA GLY 46 HA2 GLY 46 6.904 4.459 -12.384 332 2HA GLY 46 HA1 GLY 46 5.524 3.385 -12.575 333 H THR 47 HN THR 47 6.516 6.677 -11.908 334 HA THR 47 HA THR 47 5.026 8.530 -11.571 335 HB THR 47 HB THR 47 5.238 7.953 -14.530 336 HG1 THR 47 HG1 THR 47 7.002 9.142 -12.673 337 1HG2 THR 47 HG21 THR 47 5.442 10.547 -14.509 338 2HG2 THR 47 HG22 THR 47 4.527 10.411 -13.009 339 3HG2 THR 47 HG23 THR 47 3.854 9.780 -14.512 340 H ASN 48 HN ASN 48 3.043 8.350 -10.723 341 HA ASN 48 HA ASN 48 0.755 8.584 -10.831 342 1HB ASN 48 HB2 ASN 48 0.720 7.293 -13.552 343 2HB ASN 48 HB1 ASN 48 -0.486 8.345 -12.822 344 1HD2 ASN 48 HD21 ASN 48 0.257 8.974 -15.273 345 2HD2 ASN 48 HD22 ASN 48 1.293 10.357 -15.290 346 H GLU 49 HN GLU 49 2.607 5.815 -11.103 347 HA GLU 49 HA GLU 49 0.465 4.247 -9.895 348 1HB GLU 49 HB2 GLU 49 1.814 3.609 -12.479 349 2HB GLU 49 HB1 GLU 49 1.384 2.287 -11.406 350 1HG GLU 49 HG2 GLU 49 -0.766 2.416 -11.938 351 2HG GLU 49 HG1 GLU 49 -0.787 4.172 -11.778 352 H VAL 50 HN VAL 50 1.263 2.196 -8.973 353 HA VAL 50 HA VAL 50 4.070 1.811 -8.563 354 HB VAL 50 HB VAL 50 2.665 2.273 -5.986 355 1HG1 VAL 50 HG11 VAL 50 5.193 1.510 -6.714 356 2HG1 VAL 50 HG12 VAL 50 4.719 2.121 -5.129 357 3HG1 VAL 50 HG13 VAL 50 5.397 3.220 -6.329 358 1HG2 VAL 50 HG21 VAL 50 3.152 4.607 -5.914 359 2HG2 VAL 50 HG22 VAL 50 2.219 4.307 -7.377 360 3HG2 VAL 50 HG23 VAL 50 3.964 4.546 -7.477 361 H THR 51 HN THR 51 4.389 -0.292 -8.284 362 HA THR 51 HA THR 51 2.097 -1.932 -7.448 363 HB THR 51 HB THR 51 3.140 -2.211 -9.765 364 HG1 THR 51 HG1 THR 51 2.440 -4.206 -9.707 365 1HG2 THR 51 HG21 THR 51 5.204 -2.975 -10.085 366 2HG2 THR 51 HG22 THR 51 5.112 -4.086 -8.719 367 3HG2 THR 51 HG23 THR 51 5.515 -2.390 -8.452 368 H LEU 52 HN LEU 52 2.233 -3.271 -5.733 369 HA LEU 52 HA LEU 52 4.691 -3.143 -4.164 370 1HB LEU 52 HB2 LEU 52 2.943 -4.696 -2.710 371 2HB LEU 52 HB1 LEU 52 3.274 -3.005 -2.475 372 HG LEU 52 HG LEU 52 0.914 -3.417 -2.446 373 1HD1 LEU 52 HD11 LEU 52 2.197 -1.588 -4.221 374 2HD1 LEU 52 HD12 LEU 52 0.723 -1.382 -3.280 375 3HD1 LEU 52 HD13 LEU 52 0.643 -2.076 -4.896 376 1HD2 LEU 52 HD21 LEU 52 1.518 -4.985 -4.825 377 2HD2 LEU 52 HD22 LEU 52 0.068 -3.992 -4.954 378 3HD2 LEU 52 HD23 LEU 52 0.224 -5.159 -3.646 379 H LEU 53 HN LEU 53 5.862 -4.953 -3.513 380 HA LEU 53 HA LEU 53 5.255 -7.335 -5.104 381 1HB LEU 53 HB2 LEU 53 7.959 -6.734 -3.955 382 2HB LEU 53 HB1 LEU 53 7.550 -7.805 -5.280 383 HG LEU 53 HG LEU 53 6.770 -5.099 -5.904 384 1HD1 LEU 53 HD11 LEU 53 9.279 -4.430 -6.169 385 2HD1 LEU 53 HD12 LEU 53 9.510 -5.534 -4.813 386 3HD1 LEU 53 HD13 LEU 53 8.436 -4.144 -4.646 387 1HD2 LEU 53 HD21 LEU 53 8.996 -6.308 -7.362 388 2HD2 LEU 53 HD22 LEU 53 7.429 -5.746 -7.944 389 3HD2 LEU 53 HD23 LEU 53 7.581 -7.352 -7.226 390 H ALA 54 HN ALA 54 4.707 -9.117 -4.131 391 HA ALA 54 HA ALA 54 4.169 -9.462 -1.481 392 1HB ALA 54 HB1 ALA 54 3.744 -11.673 -1.958 393 2HB ALA 54 HB2 ALA 54 5.113 -11.811 -3.061 394 3HB ALA 54 HB3 ALA 54 3.660 -10.946 -3.559 395 H SER 55 HN SER 55 7.281 -9.180 -2.755 396 HA SER 55 HA SER 55 8.639 -10.993 -1.038 397 1HB SER 55 HB2 SER 55 10.672 -9.946 -1.787 398 2HB SER 55 HB1 SER 55 9.587 -10.031 -3.174 399 HG SER 55 HG SER 55 10.712 -7.955 -2.725 400 H TYR 56 HN TYR 56 7.953 -7.535 -0.904 401 HA TYR 56 HA TYR 56 9.209 -7.207 1.663 402 1HB TYR 56 HB2 TYR 56 9.146 -5.249 0.328 403 2HB TYR 56 HB1 TYR 56 7.445 -5.463 -0.049 404 HD1 TYR 56 HD1 TYR 56 6.033 -3.944 0.938 405 HD2 TYR 56 HD2 TYR 56 9.522 -5.160 3.045 406 HE1 TYR 56 HE1 TYR 56 5.423 -2.460 2.801 407 HE2 TYR 56 HE2 TYR 56 8.919 -3.679 4.915 408 HH TYR 56 HH TYR 56 5.844 -1.999 5.006 409 H LEU 57 HN LEU 57 5.916 -7.005 0.448 410 HA LEU 57 HA LEU 57 4.533 -6.803 2.802 411 1HB LEU 57 HB2 LEU 57 3.886 -7.178 0.150 412 2HB LEU 57 HB1 LEU 57 3.241 -8.618 0.921 413 HG LEU 57 HG LEU 57 1.853 -7.328 2.362 414 1HD1 LEU 57 HD11 LEU 57 3.421 -4.991 1.327 415 2HD1 LEU 57 HD12 LEU 57 3.171 -5.501 2.997 416 3HD1 LEU 57 HD13 LEU 57 1.838 -4.796 2.081 417 1HD2 LEU 57 HD21 LEU 57 0.381 -7.180 0.706 418 2HD2 LEU 57 HD22 LEU 57 1.691 -7.171 -0.469 419 3HD2 LEU 57 HD23 LEU 57 1.105 -5.654 0.206 420 H ASN 58 HN ASN 58 5.777 -9.742 1.275 421 HA ASN 58 HA ASN 58 4.568 -11.533 3.097 422 1HB ASN 58 HB2 ASN 58 5.401 -12.382 1.000 423 2HB ASN 58 HB1 ASN 58 7.028 -11.812 1.358 424 1HD2 ASN 58 HD21 ASN 58 4.947 -13.340 3.712 425 2HD2 ASN 58 HD22 ASN 58 5.868 -14.794 3.866 426 H THR 59 HN THR 59 7.374 -9.518 3.249 427 HA THR 59 HA THR 59 8.538 -10.908 5.495 428 HB THR 59 HB THR 59 9.303 -8.223 4.350 429 HG1 THR 59 HG1 THR 59 10.295 -9.241 2.809 430 1HG2 THR 59 HG21 THR 59 11.350 -8.418 5.401 431 2HG2 THR 59 HG22 THR 59 11.159 -10.149 5.675 432 3HG2 THR 59 HG23 THR 59 10.222 -9.000 6.627 433 H LEU 60 HN LEU 60 6.393 -8.246 4.959 434 HA LEU 60 HA LEU 60 6.598 -6.596 7.063 435 1HB LEU 60 HB2 LEU 60 4.216 -7.825 5.762 436 2HB LEU 60 HB1 LEU 60 3.969 -6.866 7.207 437 HG LEU 60 HG LEU 60 4.949 -5.986 4.518 438 1HD1 LEU 60 HD11 LEU 60 3.275 -4.172 5.037 439 2HD1 LEU 60 HD12 LEU 60 2.801 -5.136 6.434 440 3HD1 LEU 60 HD13 LEU 60 2.616 -5.791 4.807 441 1HD2 LEU 60 HD21 LEU 60 5.337 -3.738 5.730 442 2HD2 LEU 60 HD22 LEU 60 6.602 -4.967 5.796 443 3HD2 LEU 60 HD23 LEU 60 5.531 -4.733 7.175 444 HA PRO 61 HA PRO 61 6.328 -8.577 10.971 445 1HB PRO 61 HB2 PRO 61 4.237 -6.627 11.757 446 2HB PRO 61 HB1 PRO 61 5.815 -6.943 12.487 447 1HG PRO 61 HG2 PRO 61 5.382 -4.733 11.052 448 2HG PRO 61 HG1 PRO 61 6.932 -5.591 10.972 449 1HD PRO 61 HD2 PRO 61 4.659 -5.597 9.026 450 2HD PRO 61 HD1 PRO 61 6.410 -5.576 8.719 451 H GLU 62 HN GLU 62 4.386 -8.961 12.746 452 HA GLU 62 HA GLU 62 2.774 -10.978 11.566 453 1HB GLU 62 HB2 GLU 62 1.981 -11.416 13.772 454 2HB GLU 62 HB1 GLU 62 3.691 -11.022 13.904 455 1HG GLU 62 HG2 GLU 62 2.526 -8.578 14.222 456 2HG GLU 62 HG1 GLU 62 1.353 -9.649 14.989 457 H ASN 63 HN ASN 63 0.397 -10.909 12.732 458 HA ASN 63 HA ASN 63 -1.275 -9.722 11.090 459 1HB ASN 63 HB2 ASN 63 -2.981 -9.747 12.932 460 2HB ASN 63 HB1 ASN 63 -2.103 -11.257 12.714 461 1HD2 ASN 63 HD21 ASN 63 -3.174 -9.068 14.929 462 2HD2 ASN 63 HD22 ASN 63 -2.131 -9.464 16.249 463 H THR 64 HN THR 64 0.029 -7.677 10.723 464 HA THR 64 HA THR 64 -0.915 -5.533 12.513 465 HB THR 64 HB THR 64 1.018 -4.217 11.515 466 HG1 THR 64 HG1 THR 64 2.085 -6.734 10.859 467 1HG2 THR 64 HG21 THR 64 1.828 -6.666 13.057 468 2HG2 THR 64 HG22 THR 64 1.125 -5.216 13.772 469 3HG2 THR 64 HG23 THR 64 2.689 -5.130 12.961 470 H THR 65 HN THR 65 -1.678 -3.598 11.607 471 HA THR 65 HA THR 65 -2.940 -3.941 9.019 472 HB THR 65 HB THR 65 -3.161 -1.365 10.433 473 HG1 THR 65 HG1 THR 65 -3.238 -2.544 12.252 474 1HG2 THR 65 HG21 THR 65 -5.342 -3.232 9.568 475 2HG2 THR 65 HG22 THR 65 -4.580 -2.065 8.486 476 3HG2 THR 65 HG23 THR 65 -5.455 -1.507 9.912 477 H LYS 66 HN LYS 66 -0.951 -3.921 7.808 478 HA LYS 66 HA LYS 66 0.795 -1.706 7.729 479 1HB LYS 66 HB2 LYS 66 1.777 -3.560 6.810 480 2HB LYS 66 HB1 LYS 66 0.287 -4.125 6.076 481 1HG LYS 66 HG2 LYS 66 1.606 -3.564 4.266 482 2HG LYS 66 HG1 LYS 66 0.582 -2.143 4.460 483 1HD LYS 66 HD2 LYS 66 2.320 -0.909 5.468 484 2HD LYS 66 HD1 LYS 66 3.305 -2.347 5.712 485 1HE LYS 66 HE2 LYS 66 2.794 -0.788 3.223 486 2HE LYS 66 HE1 LYS 66 4.317 -1.383 3.879 487 1HZ LYS 66 HZ1 LYS 66 2.201 -3.019 2.593 488 2HZ LYS 66 HZ2 LYS 66 3.617 -3.636 3.282 489 3HZ LYS 66 HZ3 LYS 66 3.707 -2.628 1.929 490 H THR 67 HN THR 67 0.286 0.287 7.060 491 HA THR 67 HA THR 67 -1.865 0.570 5.091 492 HB THR 67 HB THR 67 -2.065 1.697 7.307 493 HG1 THR 67 HG1 THR 67 -2.015 3.303 4.979 494 1HG2 THR 67 HG21 THR 67 -0.773 3.461 7.982 495 2HG2 THR 67 HG22 THR 67 -0.183 3.791 6.353 496 3HG2 THR 67 HG23 THR 67 0.432 2.405 7.252 497 H LEU 68 HN LEU 68 -1.419 1.150 3.101 498 HA LEU 68 HA LEU 68 1.270 1.960 2.379 499 1HB LEU 68 HB2 LEU 68 -0.829 0.568 1.109 500 2HB LEU 68 HB1 LEU 68 -0.564 2.030 0.179 501 HG LEU 68 HG LEU 68 1.971 1.217 0.399 502 1HD1 LEU 68 HD11 LEU 68 1.504 -0.740 1.714 503 2HD1 LEU 68 HD12 LEU 68 2.030 -1.236 0.106 504 3HD1 LEU 68 HD13 LEU 68 0.319 -1.295 0.531 505 1HD2 LEU 68 HD21 LEU 68 1.014 -0.302 -1.725 506 2HD2 LEU 68 HD22 LEU 68 1.594 1.356 -1.781 507 3HD2 LEU 68 HD23 LEU 68 -0.119 1.028 -1.561 508 H THR 69 HN THR 69 1.671 4.091 2.861 509 HA THR 69 HA THR 69 -0.431 6.012 2.120 510 HB THR 69 HB THR 69 1.927 6.861 3.723 511 HG1 THR 69 HG1 THR 69 -0.218 5.394 4.843 512 1HG2 THR 69 HG21 THR 69 -0.490 8.016 3.076 513 2HG2 THR 69 HG22 THR 69 0.637 8.559 4.316 514 3HG2 THR 69 HG23 THR 69 -0.693 7.491 4.748 515 H PHE 70 HN PHE 70 -0.070 6.443 -0.008 516 HA PHE 70 HA PHE 70 2.540 6.899 -1.087 517 1HB PHE 70 HB2 PHE 70 -0.183 7.535 -2.240 518 2HB PHE 70 HB1 PHE 70 1.323 7.476 -3.130 519 HD1 PHE 70 HD1 PHE 70 2.154 5.451 -3.984 520 HD2 PHE 70 HD2 PHE 70 -1.088 5.420 -1.236 521 HE1 PHE 70 HE1 PHE 70 1.789 3.065 -4.449 522 HE2 PHE 70 HE2 PHE 70 -1.458 3.034 -1.695 523 HZ PHE 70 HZ PHE 70 -0.020 1.851 -3.303 524 H ASP 71 HN ASP 71 3.677 8.672 -0.620 525 HA ASP 71 HA ASP 71 2.497 11.044 0.398 526 1HB ASP 71 HB2 ASP 71 4.761 10.414 1.000 527 2HB ASP 71 HB1 ASP 71 5.274 10.558 -0.670 528 H PHE 72 HN PHE 72 1.133 12.046 -0.884 529 HA PHE 72 HA PHE 72 1.897 12.684 -3.641 530 1HB PHE 72 HB2 PHE 72 -0.630 12.240 -2.248 531 2HB PHE 72 HB1 PHE 72 -0.649 13.686 -3.249 532 HD1 PHE 72 HD1 PHE 72 0.160 13.402 -5.690 533 HD2 PHE 72 HD2 PHE 72 -1.041 10.182 -3.188 534 HE1 PHE 72 HE1 PHE 72 -0.232 12.009 -7.682 535 HE2 PHE 72 HE2 PHE 72 -1.452 8.788 -5.173 536 HZ PHE 72 HZ PHE 72 -1.042 9.699 -7.422 537 H GLY 73 HN GLY 73 2.970 13.998 -1.163 538 1HA GLY 73 HA2 GLY 73 3.738 16.135 -0.746 539 2HA GLY 73 HA1 GLY 73 2.804 16.688 -2.125 540 H VAL 74 HN VAL 74 0.543 15.101 -0.550 541 HA VAL 74 HA VAL 74 -0.051 17.219 1.388 542 HB VAL 74 HB VAL 74 -2.447 17.116 0.674 543 1HG1 VAL 74 HG11 VAL 74 -1.842 19.042 -0.251 544 2HG1 VAL 74 HG12 VAL 74 -1.572 18.162 -1.757 545 3HG1 VAL 74 HG13 VAL 74 -0.237 18.418 -0.632 546 1HG2 VAL 74 HG21 VAL 74 -2.650 15.105 -0.499 547 2HG2 VAL 74 HG22 VAL 74 -1.248 15.450 -1.509 548 3HG2 VAL 74 HG23 VAL 74 -2.747 16.345 -1.749 549 H GLY 75 HN GLY 75 1.006 14.909 2.215 550 1HA GLY 75 HA2 GLY 75 -0.354 12.640 2.671 551 2HA GLY 75 HA1 GLY 75 0.601 13.395 3.925 552 H THR 76 HN THR 76 -1.224 15.735 3.963 553 HA THR 76 HA THR 76 -2.752 15.265 6.132 554 HB THR 76 HB THR 76 -3.491 16.993 3.768 555 HG1 THR 76 HG1 THR 76 -2.396 18.564 4.823 556 1HG2 THR 76 HG21 THR 76 -5.125 16.419 5.925 557 2HG2 THR 76 HG22 THR 76 -5.264 17.788 4.824 558 3HG2 THR 76 HG23 THR 76 -4.375 17.959 6.335 559 H LYS 77 HN LYS 77 -3.786 14.697 2.788 560 HA LYS 77 HA LYS 77 -5.748 12.800 3.775 561 1HB LYS 77 HB2 LYS 77 -6.457 14.816 1.652 562 2HB LYS 77 HB1 LYS 77 -7.529 13.668 2.437 563 1HG LYS 77 HG2 LYS 77 -6.943 14.921 4.603 564 2HG LYS 77 HG1 LYS 77 -6.351 16.190 3.530 565 1HD LYS 77 HD2 LYS 77 -9.097 15.024 3.204 566 2HD LYS 77 HD1 LYS 77 -8.784 16.327 4.354 567 1HE LYS 77 HE2 LYS 77 -9.447 17.459 2.434 568 2HE LYS 77 HE1 LYS 77 -7.687 17.530 2.361 569 1HZ LYS 77 HZ1 LYS 77 -7.625 16.238 0.545 570 2HZ LYS 77 HZ2 LYS 77 -9.233 16.722 0.342 571 3HZ LYS 77 HZ3 LYS 77 -8.884 15.234 1.064 572 H ASN 78 HN ASN 78 -3.106 13.004 2.155 573 HA ASN 78 HA ASN 78 -3.395 12.262 -0.442 574 1HB ASN 78 HB2 ASN 78 -1.200 11.512 -0.310 575 2HB ASN 78 HB1 ASN 78 -1.296 12.654 1.005 576 1HD2 ASN 78 HD21 ASN 78 0.653 10.715 0.882 577 2HD2 ASN 78 HD22 ASN 78 0.403 9.575 2.155 578 HA PRO 79 HA PRO 79 -5.376 8.346 -0.673 579 1HB PRO 79 HB2 PRO 79 -3.814 7.104 -2.580 580 2HB PRO 79 HB1 PRO 79 -5.126 8.232 -2.936 581 1HG PRO 79 HG2 PRO 79 -2.181 8.703 -2.844 582 2HG PRO 79 HG1 PRO 79 -3.394 9.383 -3.944 583 1HD PRO 79 HD2 PRO 79 -2.362 10.802 -1.895 584 2HD PRO 79 HD1 PRO 79 -4.044 11.004 -2.429 585 H LYS 80 HN LYS 80 -4.950 7.411 1.302 586 HA LYS 80 HA LYS 80 -2.558 5.695 1.438 587 1HB LYS 80 HB2 LYS 80 -3.137 5.791 3.986 588 2HB LYS 80 HB1 LYS 80 -2.269 7.124 3.239 589 1HG LYS 80 HG2 LYS 80 -3.933 8.063 4.634 590 2HG LYS 80 HG1 LYS 80 -4.475 8.285 2.971 591 1HD LYS 80 HD2 LYS 80 -6.219 6.847 3.203 592 2HD LYS 80 HD1 LYS 80 -5.351 5.810 4.337 593 1HE LYS 80 HE2 LYS 80 -6.361 8.555 5.051 594 2HE LYS 80 HE1 LYS 80 -7.311 7.089 5.285 595 1HZ LYS 80 HZ1 LYS 80 -4.598 7.392 6.424 596 2HZ LYS 80 HZ2 LYS 80 -5.796 6.280 6.853 597 3HZ LYS 80 HZ3 LYS 80 -5.979 7.913 7.252 598 H LEU 81 HN LEU 81 -2.848 3.533 1.800 599 HA LEU 81 HA LEU 81 -5.618 2.654 2.135 600 1HB LEU 81 HB2 LEU 81 -5.311 0.903 0.676 601 2HB LEU 81 HB1 LEU 81 -4.321 2.152 -0.049 602 HG LEU 81 HG LEU 81 -2.481 0.942 1.511 603 1HD1 LEU 81 HD11 LEU 81 -4.387 -1.215 0.629 604 2HD1 LEU 81 HD12 LEU 81 -4.016 -0.761 2.293 605 3HD1 LEU 81 HD13 LEU 81 -2.767 -1.477 1.274 606 1HD2 LEU 81 HD21 LEU 81 -1.676 -0.107 -0.503 607 2HD2 LEU 81 HD22 LEU 81 -2.318 1.485 -0.885 608 3HD2 LEU 81 HD23 LEU 81 -3.265 0.044 -1.254 609 H THR 82 HN THR 82 -5.961 0.650 3.332 610 HA THR 82 HA THR 82 -3.845 0.242 5.337 611 HB THR 82 HB THR 82 -5.542 1.219 6.566 612 HG1 THR 82 HG1 THR 82 -5.570 -0.386 7.883 613 1HG2 THR 82 HG21 THR 82 -7.319 1.494 5.087 614 2HG2 THR 82 HG22 THR 82 -7.957 0.444 6.355 615 3HG2 THR 82 HG23 THR 82 -7.470 -0.236 4.805 616 H ILE 83 HN ILE 83 -2.870 -1.512 4.429 617 HA ILE 83 HA ILE 83 -4.495 -3.896 3.926 618 HB ILE 83 HB ILE 83 -2.958 -3.310 2.132 619 1HG1 ILE 83 HG12 ILE 83 -1.994 -5.758 3.618 620 2HG1 ILE 83 HG11 ILE 83 -3.429 -5.697 2.599 621 1HG2 ILE 83 HG21 ILE 83 -0.829 -3.514 4.243 622 2HG2 ILE 83 HG22 ILE 83 -1.257 -2.105 3.272 623 3HG2 ILE 83 HG23 ILE 83 -0.497 -3.505 2.512 624 1HD1 ILE 83 HD11 ILE 83 -1.425 -4.738 0.961 625 2HD1 ILE 83 HD12 ILE 83 -2.109 -6.366 0.948 626 3HD1 ILE 83 HD13 ILE 83 -0.648 -6.029 1.876 627 H THR 84 HN THR 84 -4.662 -5.375 5.466 628 HA THR 84 HA THR 84 -2.785 -5.335 7.698 629 HB THR 84 HB THR 84 -5.361 -6.890 7.435 630 HG1 THR 84 HG1 THR 84 -6.085 -4.880 7.460 631 1HG2 THR 84 HG21 THR 84 -3.553 -7.427 9.248 632 2HG2 THR 84 HG22 THR 84 -5.265 -7.364 9.662 633 3HG2 THR 84 HG23 THR 84 -4.220 -5.991 10.024 634 H VAL 85 HN VAL 85 -1.151 -6.703 7.749 635 HA VAL 85 HA VAL 85 -1.337 -9.180 6.181 636 HB VAL 85 HB VAL 85 0.509 -7.878 5.458 637 1HG1 VAL 85 HG11 VAL 85 1.368 -6.362 6.837 638 2HG1 VAL 85 HG12 VAL 85 2.258 -7.668 7.619 639 3HG1 VAL 85 HG13 VAL 85 0.685 -7.173 8.246 640 1HG2 VAL 85 HG21 VAL 85 1.953 -9.581 5.379 641 2HG2 VAL 85 HG22 VAL 85 0.775 -10.444 6.369 642 3HG2 VAL 85 HG23 VAL 85 2.139 -9.623 7.132 643 H LEU 86 HN LEU 86 -1.256 -11.108 7.138 644 HA LEU 86 HA LEU 86 -0.305 -11.305 9.900 645 1HB LEU 86 HB2 LEU 86 -2.798 -12.776 9.221 646 2HB LEU 86 HB1 LEU 86 -2.232 -12.194 10.775 647 HG LEU 86 HG LEU 86 -2.700 -9.831 9.735 648 1HD1 LEU 86 HD11 LEU 86 -3.938 -9.694 7.879 649 2HD1 LEU 86 HD12 LEU 86 -4.965 -11.048 8.347 650 3HD1 LEU 86 HD13 LEU 86 -3.407 -11.347 7.576 651 1HD2 LEU 86 HD21 LEU 86 -4.760 -9.797 10.842 652 2HD2 LEU 86 HD22 LEU 86 -3.851 -11.071 11.656 653 3HD2 LEU 86 HD23 LEU 86 -5.089 -11.491 10.472 654 HA PRO 87 HA PRO 87 1.399 -14.790 7.516 655 1HB PRO 87 HB2 PRO 87 3.672 -15.011 8.954 656 2HB PRO 87 HB1 PRO 87 3.479 -13.820 7.664 657 1HG PRO 87 HG2 PRO 87 3.263 -13.462 10.623 658 2HG PRO 87 HG1 PRO 87 4.007 -12.398 9.416 659 1HD PRO 87 HD2 PRO 87 1.524 -11.977 10.477 660 2HD PRO 87 HD1 PRO 87 2.005 -11.426 8.861 661 H LYS 88 HN LYS 88 1.532 -14.407 10.965 662 HA LYS 88 HA LYS 88 1.666 -17.137 11.644 663 1HB LYS 88 HB2 LYS 88 0.371 -15.560 13.692 664 2HB LYS 88 HB1 LYS 88 1.951 -16.327 13.703 665 1HG LYS 88 HG2 LYS 88 2.765 -14.335 12.359 666 2HG LYS 88 HG1 LYS 88 1.236 -13.564 12.790 667 1HD LYS 88 HD2 LYS 88 2.019 -13.033 14.807 668 2HD LYS 88 HD1 LYS 88 2.439 -14.716 15.128 669 1HE LYS 88 HE2 LYS 88 4.271 -12.809 15.085 670 2HE LYS 88 HE1 LYS 88 4.614 -14.436 14.505 671 1HZ LYS 88 HZ1 LYS 88 3.551 -12.572 12.543 672 2HZ LYS 88 HZ2 LYS 88 4.760 -13.742 12.381 673 3HZ LYS 88 HZ3 LYS 88 5.117 -12.252 13.094 674 H ASP 89 HN ASP 89 -0.020 -18.317 12.879 675 HA ASP 89 HA ASP 89 -2.673 -17.825 11.707 676 1HB ASP 89 HB2 ASP 89 -1.189 -20.019 11.279 677 2HB ASP 89 HB1 ASP 89 -1.993 -20.518 12.765 678 H ILE 90 HN ILE 90 -4.503 -18.692 13.036 679 HA ILE 90 HA ILE 90 -4.405 -17.561 15.641 680 HB ILE 90 HB ILE 90 -6.533 -19.334 14.436 681 1HG1 ILE 90 HG12 ILE 90 -7.469 -16.733 14.464 682 2HG1 ILE 90 HG11 ILE 90 -5.784 -16.542 13.995 683 1HG2 ILE 90 HG21 ILE 90 -6.559 -19.102 16.923 684 2HG2 ILE 90 HG22 ILE 90 -8.003 -18.491 16.116 685 3HG2 ILE 90 HG23 ILE 90 -6.779 -17.368 16.702 686 1HD1 ILE 90 HD11 ILE 90 -7.292 -18.655 12.602 687 2HD1 ILE 90 HD12 ILE 90 -6.098 -17.511 11.987 688 3HD1 ILE 90 HD13 ILE 90 -7.761 -16.991 12.257 689 HA PRO 91 HA PRO 91 -2.949 -21.084 17.905 690 1HB PRO 91 HB2 PRO 91 -3.740 -20.325 20.389 691 2HB PRO 91 HB1 PRO 91 -2.358 -19.600 19.559 692 1HG PRO 91 HG2 PRO 91 -5.162 -18.581 19.821 693 2HG PRO 91 HG1 PRO 91 -3.631 -17.696 19.974 694 1HD PRO 91 HD2 PRO 91 -5.137 -17.624 17.726 695 2HD PRO 91 HD1 PRO 91 -3.367 -17.511 17.691 696 H GLY 92 HN GLY 92 -3.782 -23.046 18.294 697 1HA GLY 92 HA2 GLY 92 -6.703 -23.255 18.598 698 2HA GLY 92 HA1 GLY 92 -5.654 -24.515 17.968 699 H LEU 93 HN LEU 93 -3.728 -23.850 20.237 700 HA LEU 93 HA LEU 93 -4.973 -24.381 22.695 701 1HB LEU 93 HB2 LEU 93 -4.195 -26.760 22.962 702 2HB LEU 93 HB1 LEU 93 -5.571 -26.526 21.902 703 HG LEU 93 HG LEU 93 -2.913 -26.561 20.599 704 1HD1 LEU 93 HD11 LEU 93 -2.390 -28.736 20.931 705 2HD1 LEU 93 HD12 LEU 93 -4.072 -29.222 21.150 706 3HD1 LEU 93 HD13 LEU 93 -3.200 -28.446 22.471 707 1HD2 LEU 93 HD21 LEU 93 -5.635 -26.782 19.873 708 2HD2 LEU 93 HD22 LEU 93 -4.862 -28.321 19.492 709 3HD2 LEU 93 HD23 LEU 93 -4.217 -26.819 18.825 710 H GLU 94 HN GLU 94 -3.539 -23.097 23.706 711 HA GLU 94 HA GLU 94 -0.773 -22.996 23.142 712 1HB GLU 94 HB2 GLU 94 -2.034 -21.158 24.222 713 2HB GLU 94 HB1 GLU 94 -2.212 -22.150 25.664 714 1HG GLU 94 HG2 GLU 94 -0.382 -21.094 26.370 715 2HG GLU 94 HG1 GLU 94 0.473 -22.208 25.307 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -7.506 23.053 -3.033 2 2H MET 1 HT2 MET 1 -7.647 21.654 -4.016 3 3H MET 1 HT3 MET 1 -7.674 23.214 -4.731 4 HA MET 1 HA MET 1 -5.473 23.562 -4.421 5 1HB MET 1 HB2 MET 1 -5.962 21.818 -2.118 6 2HB MET 1 HB1 MET 1 -4.416 21.516 -2.900 7 1HG MET 1 HG2 MET 1 -3.536 23.307 -1.952 8 2HG MET 1 HG1 MET 1 -4.806 24.332 -2.619 9 1HE MET 1 HE1 MET 1 -4.075 23.361 1.640 10 2HE MET 1 HE2 MET 1 -3.005 23.380 0.239 11 3HE MET 1 HE3 MET 1 -3.970 21.948 0.593 12 H GLN 2 HN GLN 2 -5.576 20.083 -3.812 13 HA GLN 2 HA GLN 2 -4.745 19.643 -6.605 14 1HB GLN 2 HB2 GLN 2 -4.015 17.623 -4.563 15 2HB GLN 2 HB1 GLN 2 -3.112 18.189 -5.962 16 1HG GLN 2 HG2 GLN 2 -3.340 19.464 -3.259 17 2HG GLN 2 HG1 GLN 2 -1.893 18.877 -4.077 18 1HE2 GLN 2 HE21 GLN 2 -2.514 20.000 -6.622 19 2HE2 GLN 2 HE22 GLN 2 -2.308 21.709 -6.496 20 H ASP 3 HN ASP 3 -5.466 17.730 -7.634 21 HA ASP 3 HA ASP 3 -7.667 16.318 -6.295 22 1HB ASP 3 HB2 ASP 3 -8.881 16.358 -8.524 23 2HB ASP 3 HB1 ASP 3 -8.815 17.889 -7.658 24 HA PRO 4 HA PRO 4 -4.987 13.264 -8.448 25 1HB PRO 4 HB2 PRO 4 -3.913 12.049 -6.326 26 2HB PRO 4 HB1 PRO 4 -3.301 13.611 -6.883 27 1HG PRO 4 HG2 PRO 4 -4.970 12.972 -4.517 28 2HG PRO 4 HG1 PRO 4 -3.805 14.286 -4.751 29 1HD PRO 4 HD2 PRO 4 -6.646 14.411 -5.002 30 2HD PRO 4 HD1 PRO 4 -5.473 15.697 -5.347 31 H THR 5 HN THR 5 -5.458 11.079 -8.824 32 HA THR 5 HA THR 5 -7.832 10.097 -7.397 33 HB THR 5 HB THR 5 -7.190 10.100 -10.134 34 HG1 THR 5 HG1 THR 5 -9.223 8.938 -8.572 35 1HG2 THR 5 HG21 THR 5 -7.474 7.255 -9.223 36 2HG2 THR 5 HG22 THR 5 -5.922 7.970 -9.659 37 3HG2 THR 5 HG23 THR 5 -7.211 7.860 -10.858 38 H ILE 6 HN ILE 6 -7.885 7.695 -6.925 39 HA ILE 6 HA ILE 6 -5.287 6.476 -6.609 40 HB ILE 6 HB ILE 6 -4.899 7.130 -4.545 41 1HG1 ILE 6 HG12 ILE 6 -6.715 6.486 -2.729 42 2HG1 ILE 6 HG11 ILE 6 -7.390 5.550 -4.052 43 1HG2 ILE 6 HG21 ILE 6 -6.639 8.543 -3.290 44 2HG2 ILE 6 HG22 ILE 6 -7.570 8.455 -4.787 45 3HG2 ILE 6 HG23 ILE 6 -5.963 9.178 -4.792 46 1HD1 ILE 6 HD11 ILE 6 -5.994 3.933 -3.435 47 2HD1 ILE 6 HD12 ILE 6 -5.083 5.025 -2.393 48 3HD1 ILE 6 HD13 ILE 6 -4.701 4.924 -4.111 49 H ASN 7 HN ASN 7 -5.274 4.345 -6.056 50 HA ASN 7 HA ASN 7 -7.460 2.751 -6.893 51 1HB ASN 7 HB2 ASN 7 -5.978 0.908 -6.404 52 2HB ASN 7 HB1 ASN 7 -4.995 2.212 -7.045 53 1HD2 ASN 7 HD21 ASN 7 -3.915 3.607 -5.480 54 2HD2 ASN 7 HD22 ASN 7 -3.346 2.919 -4.009 55 HA PRO 8 HA PRO 8 -9.567 1.563 -3.244 56 1HB PRO 8 HB2 PRO 8 -8.028 -0.874 -2.564 57 2HB PRO 8 HB1 PRO 8 -9.752 -0.692 -2.908 58 1HG PRO 8 HG2 PRO 8 -8.106 -1.815 -4.689 59 2HG PRO 8 HG1 PRO 8 -9.434 -0.754 -5.204 60 1HD PRO 8 HD2 PRO 8 -6.513 -0.147 -4.952 61 2HD PRO 8 HD1 PRO 8 -7.650 0.332 -6.225 62 H THR 9 HN THR 9 -9.084 0.505 -0.767 63 HA THR 9 HA THR 9 -6.642 1.718 0.252 64 HB THR 9 HB THR 9 -9.302 2.510 1.420 65 HG1 THR 9 HG1 THR 9 -9.497 3.821 -0.180 66 1HG2 THR 9 HG21 THR 9 -6.655 3.907 1.635 67 2HG2 THR 9 HG22 THR 9 -7.249 2.753 2.829 68 3HG2 THR 9 HG23 THR 9 -8.140 4.245 2.525 69 H SER 10 HN SER 10 -8.713 -0.849 0.318 70 HA SER 10 HA SER 10 -7.765 -1.602 2.994 71 1HB SER 10 HB2 SER 10 -10.519 -1.316 2.102 72 2HB SER 10 HB1 SER 10 -10.190 -2.934 2.727 73 HG SER 10 HG SER 10 -9.164 -1.706 4.546 74 H ILE 11 HN ILE 11 -6.579 -3.361 2.924 75 HA ILE 11 HA ILE 11 -7.367 -5.596 1.221 76 HB ILE 11 HB ILE 11 -5.845 -4.729 -0.289 77 1HG1 ILE 11 HG12 ILE 11 -4.106 -6.425 1.509 78 2HG1 ILE 11 HG11 ILE 11 -5.248 -7.050 0.326 79 1HG2 ILE 11 HG21 ILE 11 -3.876 -3.518 0.190 80 2HG2 ILE 11 HG22 ILE 11 -3.882 -4.038 1.876 81 3HG2 ILE 11 HG23 ILE 11 -5.111 -2.916 1.294 82 1HD1 ILE 11 HD11 ILE 11 -2.543 -6.334 -0.039 83 2HD1 ILE 11 HD12 ILE 11 -3.529 -5.220 -0.984 84 3HD1 ILE 11 HD13 ILE 11 -3.685 -6.960 -1.223 85 H SER 12 HN SER 12 -7.022 -7.538 2.165 86 HA SER 12 HA SER 12 -5.252 -7.661 4.509 87 1HB SER 12 HB2 SER 12 -7.500 -9.390 4.915 88 2HB SER 12 HB1 SER 12 -6.936 -8.064 5.920 89 HG SER 12 HG SER 12 -8.423 -6.800 5.099 90 H ALA 13 HN ALA 13 -4.083 -9.508 4.712 91 HA ALA 13 HA ALA 13 -4.758 -11.983 3.538 92 1HB ALA 13 HB1 ALA 13 -2.344 -11.252 2.149 93 2HB ALA 13 HB2 ALA 13 -3.663 -10.154 1.736 94 3HB ALA 13 HB3 ALA 13 -3.857 -11.891 1.509 95 H LYS 14 HN LYS 14 -2.873 -13.518 3.627 96 HA LYS 14 HA LYS 14 -1.637 -13.339 6.198 97 1HB LYS 14 HB2 LYS 14 -2.170 -15.357 4.328 98 2HB LYS 14 HB1 LYS 14 -0.418 -15.282 4.416 99 1HG LYS 14 HG2 LYS 14 -1.202 -16.912 5.975 100 2HG LYS 14 HG1 LYS 14 -0.582 -15.530 6.878 101 1HD LYS 14 HD2 LYS 14 -2.958 -14.696 7.007 102 2HD LYS 14 HD1 LYS 14 -3.459 -16.257 6.352 103 1HE LYS 14 HE2 LYS 14 -2.650 -17.419 8.239 104 2HE LYS 14 HE1 LYS 14 -1.747 -16.017 8.810 105 1HZ LYS 14 HZ1 LYS 14 -3.498 -15.461 10.021 106 2HZ LYS 14 HZ2 LYS 14 -4.394 -16.757 9.406 107 3HZ LYS 14 HZ3 LYS 14 -4.420 -15.265 8.616 108 H ALA 15 HN ALA 15 0.730 -13.279 6.608 109 HA ALA 15 HA ALA 15 1.995 -11.279 5.040 110 1HB ALA 15 HB1 ALA 15 3.742 -13.069 6.628 111 2HB ALA 15 HB2 ALA 15 2.510 -12.167 7.509 112 3HB ALA 15 HB3 ALA 15 3.708 -11.306 6.536 113 H GLY 16 HN GLY 16 1.985 -11.852 2.962 114 1HA GLY 16 HA2 GLY 16 3.788 -12.689 1.397 115 2HA GLY 16 HA1 GLY 16 3.506 -14.250 2.168 116 H SER 17 HN SER 17 0.658 -13.539 2.491 117 HA SER 17 HA SER 17 -0.407 -14.752 0.164 118 1HB SER 17 HB2 SER 17 -1.235 -13.969 2.765 119 2HB SER 17 HB1 SER 17 -2.334 -13.197 1.635 120 HG SER 17 HG SER 17 -1.718 -15.958 1.668 121 H PHE 18 HN PHE 18 0.955 -11.837 0.474 122 HA PHE 18 HA PHE 18 -0.989 -10.338 -1.047 123 1HB PHE 18 HB2 PHE 18 1.576 -9.568 0.307 124 2HB PHE 18 HB1 PHE 18 0.514 -8.469 -0.529 125 HD1 PHE 18 HD1 PHE 18 -1.838 -8.144 0.327 126 HD2 PHE 18 HD2 PHE 18 1.191 -10.154 2.533 127 HE1 PHE 18 HE1 PHE 18 -3.137 -7.831 2.395 128 HE2 PHE 18 HE2 PHE 18 -0.099 -9.845 4.602 129 HZ PHE 18 HZ PHE 18 -2.264 -8.683 4.535 130 H ALA 19 HN ALA 19 -0.665 -11.539 -2.982 131 HA ALA 19 HA ALA 19 1.884 -11.710 -4.237 132 1HB ALA 19 HB1 ALA 19 0.274 -13.256 -4.993 133 2HB ALA 19 HB2 ALA 19 0.476 -12.121 -6.327 134 3HB ALA 19 HB3 ALA 19 -0.923 -11.994 -5.267 135 H ASP 20 HN ASP 20 2.513 -10.547 -6.223 136 HA ASP 20 HA ASP 20 2.865 -7.919 -6.026 137 1HB ASP 20 HB2 ASP 20 3.797 -9.146 -7.891 138 2HB ASP 20 HB1 ASP 20 2.195 -9.375 -8.586 139 H THR 21 HN THR 21 1.522 -6.320 -5.481 140 HA THR 21 HA THR 21 -1.172 -6.338 -6.695 141 HB THR 21 HB THR 21 -0.474 -4.850 -4.182 142 HG1 THR 21 HG1 THR 21 -1.077 -7.588 -4.484 143 1HG2 THR 21 HG21 THR 21 -2.883 -5.461 -3.675 144 2HG2 THR 21 HG22 THR 21 -3.012 -5.899 -5.380 145 3HG2 THR 21 HG23 THR 21 -2.606 -4.245 -4.921 146 H LYS 22 HN LYS 22 -1.095 -5.014 -8.418 147 HA LYS 22 HA LYS 22 0.508 -2.700 -8.564 148 1HB LYS 22 HB2 LYS 22 -0.963 -4.253 -10.356 149 2HB LYS 22 HB1 LYS 22 -1.744 -2.678 -10.381 150 1HG LYS 22 HG2 LYS 22 -0.198 -2.145 -11.895 151 2HG LYS 22 HG1 LYS 22 0.894 -2.004 -10.519 152 1HD LYS 22 HD2 LYS 22 1.850 -4.083 -10.908 153 2HD LYS 22 HD1 LYS 22 0.467 -4.653 -11.840 154 1HE LYS 22 HE2 LYS 22 2.664 -4.030 -13.069 155 2HE LYS 22 HE1 LYS 22 1.117 -3.522 -13.747 156 1HZ LYS 22 HZ1 LYS 22 2.312 -1.648 -11.894 157 2HZ LYS 22 HZ2 LYS 22 1.581 -1.370 -13.394 158 3HZ LYS 22 HZ3 LYS 22 3.190 -1.884 -13.320 159 H ILE 23 HN ILE 23 -0.339 -0.560 -8.946 160 HA ILE 23 HA ILE 23 -2.895 0.102 -7.771 161 HB ILE 23 HB ILE 23 -0.305 0.732 -6.490 162 1HG1 ILE 23 HG12 ILE 23 -3.036 -0.125 -5.582 163 2HG1 ILE 23 HG11 ILE 23 -1.531 -1.030 -5.495 164 1HG2 ILE 23 HG21 ILE 23 -2.666 2.548 -6.615 165 2HG2 ILE 23 HG22 ILE 23 -0.950 2.937 -6.721 166 3HG2 ILE 23 HG23 ILE 23 -1.663 2.504 -5.167 167 1HD1 ILE 23 HD11 ILE 23 -2.320 1.354 -3.856 168 2HD1 ILE 23 HD12 ILE 23 -0.707 0.644 -3.853 169 3HD1 ILE 23 HD13 ILE 23 -2.089 -0.300 -3.305 170 H THR 24 HN THR 24 -3.611 2.240 -8.260 171 HA THR 24 HA THR 24 -2.012 3.538 -10.365 172 HB THR 24 HB THR 24 -4.972 3.896 -10.201 173 HG1 THR 24 HG1 THR 24 -5.359 2.013 -11.184 174 1HG2 THR 24 HG21 THR 24 -4.051 5.213 -11.884 175 2HG2 THR 24 HG22 THR 24 -4.654 3.785 -12.727 176 3HG2 THR 24 HG23 THR 24 -2.932 3.947 -12.387 177 H LEU 25 HN LEU 25 -1.207 5.436 -9.794 178 HA LEU 25 HA LEU 25 -2.666 7.045 -7.800 179 1HB LEU 25 HB2 LEU 25 0.112 6.268 -8.148 180 2HB LEU 25 HB1 LEU 25 -0.075 7.997 -7.988 181 HG LEU 25 HG LEU 25 -1.509 7.405 -5.918 182 1HD1 LEU 25 HD11 LEU 25 -1.802 5.224 -5.612 183 2HD1 LEU 25 HD12 LEU 25 -0.133 5.201 -5.047 184 3HD1 LEU 25 HD13 LEU 25 -0.502 4.810 -6.728 185 1HD2 LEU 25 HD21 LEU 25 0.274 7.912 -4.615 186 2HD2 LEU 25 HD22 LEU 25 0.981 8.289 -6.186 187 3HD2 LEU 25 HD23 LEU 25 1.322 6.742 -5.411 188 H THR 26 HN THR 26 -3.962 8.106 -9.393 189 HA THR 26 HA THR 26 -2.865 9.300 -11.713 190 HB THR 26 HB THR 26 -5.447 9.808 -10.255 191 HG1 THR 26 HG1 THR 26 -4.912 8.407 -12.659 192 1HG2 THR 26 HG21 THR 26 -5.155 11.765 -11.522 193 2HG2 THR 26 HG22 THR 26 -6.214 10.723 -12.475 194 3HG2 THR 26 HG23 THR 26 -4.508 10.867 -12.896 195 HA PRO 27 HA PRO 27 -1.205 12.894 -9.563 196 1HB PRO 27 HB2 PRO 27 0.765 13.348 -11.220 197 2HB PRO 27 HB1 PRO 27 0.741 11.827 -10.317 198 1HG PRO 27 HG2 PRO 27 -0.130 12.339 -13.141 199 2HG PRO 27 HG1 PRO 27 0.930 11.066 -12.531 200 1HD PRO 27 HD2 PRO 27 -1.761 10.741 -12.969 201 2HD PRO 27 HD1 PRO 27 -0.810 9.769 -11.826 202 H ASN 28 HN ASN 28 -3.017 12.679 -12.261 203 HA ASN 28 HA ASN 28 -2.803 14.613 -13.970 204 1HB ASN 28 HB2 ASN 28 -4.908 13.010 -13.109 205 2HB ASN 28 HB1 ASN 28 -5.536 14.650 -13.008 206 1HD2 ASN 28 HD21 ASN 28 -6.127 12.382 -14.832 207 2HD2 ASN 28 HD22 ASN 28 -5.927 13.024 -16.423 208 H GLY 29 HN GLY 29 -1.564 15.988 -12.555 209 1HA GLY 29 HA2 GLY 29 -1.753 18.444 -12.311 210 2HA GLY 29 HA1 GLY 29 -3.223 18.144 -11.406 211 H ASN 30 HN ASN 30 -2.089 15.868 -10.029 212 HA ASN 30 HA ASN 30 -0.469 17.295 -8.043 213 1HB ASN 30 HB2 ASN 30 -1.520 14.666 -7.301 214 2HB ASN 30 HB1 ASN 30 -1.610 16.195 -6.440 215 1HD2 ASN 30 HD21 ASN 30 -3.021 14.417 -9.155 216 2HD2 ASN 30 HD22 ASN 30 -4.595 15.112 -9.020 217 H THR 31 HN THR 31 1.157 15.925 -6.877 218 HA THR 31 HA THR 31 2.371 13.956 -8.692 219 HB THR 31 HB THR 31 3.709 15.942 -8.852 220 HG1 THR 31 HG1 THR 31 5.079 14.283 -8.791 221 1HG2 THR 31 HG21 THR 31 3.518 17.381 -7.144 222 2HG2 THR 31 HG22 THR 31 4.915 16.505 -6.522 223 3HG2 THR 31 HG23 THR 31 3.294 16.103 -5.948 224 H PHE 32 HN PHE 32 3.700 12.356 -7.681 225 HA PHE 32 HA PHE 32 3.024 11.912 -4.847 226 1HB PHE 32 HB2 PHE 32 1.766 10.309 -6.053 227 2HB PHE 32 HB1 PHE 32 3.110 9.950 -7.132 228 HD1 PHE 32 HD1 PHE 32 3.331 7.644 -6.823 229 HD2 PHE 32 HD2 PHE 32 3.242 10.220 -3.442 230 HE1 PHE 32 HE1 PHE 32 4.002 5.767 -5.382 231 HE2 PHE 32 HE2 PHE 32 3.913 8.351 -1.992 232 HZ PHE 32 HZ PHE 32 4.295 6.119 -2.963 233 H ASN 33 HN ASN 33 4.655 11.376 -3.491 234 HA ASN 33 HA ASN 33 7.357 11.376 -4.596 235 1HB ASN 33 HB2 ASN 33 6.135 12.312 -2.136 236 2HB ASN 33 HB1 ASN 33 7.549 11.310 -1.813 237 1HD2 ASN 33 HD21 ASN 33 6.480 13.985 -3.875 238 2HD2 ASN 33 HD22 ASN 33 7.982 14.840 -3.838 239 H GLY 34 HN GLY 34 5.849 9.685 -1.832 240 1HA GLY 34 HA2 GLY 34 6.240 7.083 -2.795 241 2HA GLY 34 HA1 GLY 34 7.667 7.534 -1.881 242 H ILE 35 HN ILE 35 6.278 5.410 -1.007 243 HA ILE 35 HA ILE 35 4.569 6.359 1.178 244 HB ILE 35 HB ILE 35 4.991 3.462 0.614 245 1HG1 ILE 35 HG12 ILE 35 3.036 5.154 -0.946 246 2HG1 ILE 35 HG11 ILE 35 4.580 4.604 -1.586 247 1HG2 ILE 35 HG21 ILE 35 2.283 4.239 1.034 248 2HG2 ILE 35 HG22 ILE 35 3.294 5.030 2.240 249 3HG2 ILE 35 HG23 ILE 35 3.331 3.275 2.071 250 1HD1 ILE 35 HD11 ILE 35 3.705 2.249 -0.930 251 2HD1 ILE 35 HD12 ILE 35 3.133 3.027 -2.405 252 3HD1 ILE 35 HD13 ILE 35 2.128 3.038 -0.955 253 H SER 36 HN SER 36 5.881 6.948 2.817 254 HA SER 36 HA SER 36 8.384 5.878 3.431 255 1HB SER 36 HB2 SER 36 6.374 7.355 5.126 256 2HB SER 36 HB1 SER 36 7.948 6.867 5.752 257 HG SER 36 HG SER 36 7.293 8.850 3.940 258 H GLU 37 HN GLU 37 5.213 4.952 4.715 259 HA GLU 37 HA GLU 37 5.857 3.265 6.693 260 1HB GLU 37 HB2 GLU 37 3.890 1.966 5.328 261 2HB GLU 37 HB1 GLU 37 3.629 3.217 6.506 262 1HG GLU 37 HG2 GLU 37 4.104 4.018 3.701 263 2HG GLU 37 HG1 GLU 37 2.569 3.250 4.081 264 H LEU 38 HN LEU 38 6.350 2.892 3.272 265 HA LEU 38 HA LEU 38 7.904 0.490 3.765 266 1HB LEU 38 HB2 LEU 38 6.796 -0.358 1.531 267 2HB LEU 38 HB1 LEU 38 6.097 -0.704 3.098 268 HG LEU 38 HG LEU 38 5.178 1.730 1.650 269 1HD1 LEU 38 HD11 LEU 38 5.262 -0.449 0.162 270 2HD1 LEU 38 HD12 LEU 38 3.890 0.651 0.113 271 3HD1 LEU 38 HD13 LEU 38 3.794 -0.825 1.066 272 1HD2 LEU 38 HD21 LEU 38 4.513 0.719 4.021 273 2HD2 LEU 38 HD22 LEU 38 3.387 -0.190 3.019 274 3HD2 LEU 38 HD23 LEU 38 3.356 1.569 2.998 275 H GLN 39 HN GLN 39 9.610 1.962 3.383 276 HA GLN 39 HA GLN 39 10.231 3.708 1.563 277 1HB GLN 39 HB2 GLN 39 12.176 1.454 1.985 278 2HB GLN 39 HB1 GLN 39 12.510 3.164 1.769 279 1HG GLN 39 HG2 GLN 39 11.383 1.798 4.192 280 2HG GLN 39 HG1 GLN 39 12.914 2.656 4.039 281 1HE2 GLN 39 HE21 GLN 39 11.877 4.867 2.568 282 2HE2 GLN 39 HE22 GLN 39 10.925 5.811 3.657 283 H SER 40 HN SER 40 9.178 3.544 -0.146 284 HA SER 40 HA SER 40 8.261 2.457 -2.085 285 1HB SER 40 HB2 SER 40 10.828 3.950 -2.509 286 2HB SER 40 HB1 SER 40 9.895 3.336 -3.875 287 HG SER 40 HG SER 40 8.414 4.808 -3.538 288 H SER 41 HN SER 41 11.595 1.528 -1.481 289 HA SER 41 HA SER 41 11.959 -0.261 -3.544 290 1HB SER 41 HB2 SER 41 13.909 -0.338 -2.410 291 2HB SER 41 HB1 SER 41 13.128 0.141 -0.905 292 HG SER 41 HG SER 41 12.583 -1.996 -0.534 293 H GLN 42 HN GLN 42 9.925 -0.516 -0.758 294 HA GLN 42 HA GLN 42 9.484 -3.254 -0.630 295 1HB GLN 42 HB2 GLN 42 7.778 -0.848 -0.022 296 2HB GLN 42 HB1 GLN 42 7.349 -2.478 0.427 297 1HG GLN 42 HG2 GLN 42 8.618 -0.805 2.058 298 2HG GLN 42 HG1 GLN 42 8.797 -2.540 2.106 299 1HE2 GLN 42 HE21 GLN 42 10.510 0.111 2.399 300 2HE2 GLN 42 HE22 GLN 42 12.026 -0.395 1.753 301 H TYR 43 HN TYR 43 8.218 -0.756 -2.632 302 HA TYR 43 HA TYR 43 6.691 -2.714 -4.210 303 1HB TYR 43 HB2 TYR 43 5.062 -0.954 -4.729 304 2HB TYR 43 HB1 TYR 43 5.137 -1.278 -3.003 305 HD1 TYR 43 HD1 TYR 43 5.345 0.485 -1.525 306 HD2 TYR 43 HD2 TYR 43 6.517 1.046 -5.575 307 HE1 TYR 43 HE1 TYR 43 5.692 2.877 -1.086 308 HE2 TYR 43 HE2 TYR 43 6.869 3.440 -5.147 309 HH TYR 43 HH TYR 43 6.265 5.149 -3.631 310 H THR 44 HN THR 44 6.015 -1.241 -6.304 311 HA THR 44 HA THR 44 8.492 -0.187 -7.435 312 HB THR 44 HB THR 44 6.688 -2.259 -8.677 313 HG1 THR 44 HG1 THR 44 9.328 -2.230 -7.741 314 1HG2 THR 44 HG21 THR 44 8.944 -0.746 -9.955 315 2HG2 THR 44 HG22 THR 44 7.248 -0.720 -10.430 316 3HG2 THR 44 HG23 THR 44 8.194 -2.196 -10.621 317 H LYS 45 HN LYS 45 7.774 1.825 -7.323 318 HA LYS 45 HA LYS 45 5.214 2.740 -8.091 319 1HB LYS 45 HB2 LYS 45 7.481 3.845 -6.874 320 2HB LYS 45 HB1 LYS 45 7.250 4.776 -8.343 321 1HG LYS 45 HG2 LYS 45 4.801 4.310 -6.811 322 2HG LYS 45 HG1 LYS 45 6.021 5.279 -5.983 323 1HD LYS 45 HD2 LYS 45 5.590 5.987 -8.800 324 2HD LYS 45 HD1 LYS 45 4.198 6.260 -7.747 325 1HE LYS 45 HE2 LYS 45 5.227 8.239 -7.385 326 2HE LYS 45 HE1 LYS 45 6.140 7.293 -6.211 327 1HZ LYS 45 HZ1 LYS 45 7.936 7.965 -7.307 328 2HZ LYS 45 HZ2 LYS 45 7.036 8.557 -8.610 329 3HZ LYS 45 HZ3 LYS 45 7.477 6.926 -8.561 330 H GLY 46 HN GLY 46 4.914 4.448 -9.756 331 1HA GLY 46 HA2 GLY 46 6.554 4.214 -12.142 332 2HA GLY 46 HA1 GLY 46 4.904 3.618 -12.281 333 H THR 47 HN THR 47 6.685 6.460 -11.120 334 HA THR 47 HA THR 47 5.847 8.632 -10.828 335 HB THR 47 HB THR 47 6.041 8.150 -13.801 336 HG1 THR 47 HG1 THR 47 7.909 8.868 -11.813 337 1HG2 THR 47 HG21 THR 47 6.915 10.698 -13.383 338 2HG2 THR 47 HG22 THR 47 5.520 10.600 -12.309 339 3HG2 THR 47 HG23 THR 47 5.336 10.253 -14.029 340 H ASN 48 HN ASN 48 3.653 6.978 -10.544 341 HA ASN 48 HA ASN 48 1.532 8.562 -10.536 342 1HB ASN 48 HB2 ASN 48 0.226 7.570 -12.607 343 2HB ASN 48 HB1 ASN 48 1.157 9.035 -12.730 344 1HD2 ASN 48 HD21 ASN 48 1.303 5.572 -13.211 345 2HD2 ASN 48 HD22 ASN 48 2.418 5.617 -14.521 346 H GLU 49 HN GLU 49 2.789 5.442 -10.912 347 HA GLU 49 HA GLU 49 0.402 4.390 -9.567 348 1HB GLU 49 HB2 GLU 49 1.821 3.314 -11.980 349 2HB GLU 49 HB1 GLU 49 1.014 2.208 -10.882 350 1HG GLU 49 HG2 GLU 49 -0.967 2.686 -11.739 351 2HG GLU 49 HG1 GLU 49 -0.699 4.418 -11.559 352 H VAL 50 HN VAL 50 0.816 2.254 -8.533 353 HA VAL 50 HA VAL 50 3.611 1.935 -7.680 354 HB VAL 50 HB VAL 50 1.415 1.717 -5.653 355 1HG1 VAL 50 HG11 VAL 50 3.062 1.391 -4.165 356 2HG1 VAL 50 HG12 VAL 50 4.103 2.609 -4.901 357 3HG1 VAL 50 HG13 VAL 50 4.028 0.986 -5.584 358 1HG2 VAL 50 HG21 VAL 50 3.073 4.195 -5.997 359 2HG2 VAL 50 HG22 VAL 50 1.642 3.960 -4.997 360 3HG2 VAL 50 HG23 VAL 50 1.489 4.018 -6.752 361 H THR 51 HN THR 51 4.265 -0.132 -7.412 362 HA THR 51 HA THR 51 2.190 -2.207 -7.665 363 HB THR 51 HB THR 51 4.940 -2.111 -8.887 364 HG1 THR 51 HG1 THR 51 3.855 -2.072 -10.776 365 1HG2 THR 51 HG21 THR 51 3.409 -4.352 -9.764 366 2HG2 THR 51 HG22 THR 51 3.633 -4.426 -8.017 367 3HG2 THR 51 HG23 THR 51 5.033 -4.307 -9.082 368 H LEU 52 HN LEU 52 1.984 -3.125 -5.755 369 HA LEU 52 HA LEU 52 4.019 -3.270 -3.775 370 1HB LEU 52 HB2 LEU 52 1.222 -3.963 -4.037 371 2HB LEU 52 HB1 LEU 52 2.095 -5.253 -3.236 372 HG LEU 52 HG LEU 52 2.277 -2.403 -2.337 373 1HD1 LEU 52 HD11 LEU 52 -0.035 -2.905 -2.202 374 2HD1 LEU 52 HD12 LEU 52 0.629 -3.067 -0.578 375 3HD1 LEU 52 HD13 LEU 52 0.287 -4.505 -1.539 376 1HD2 LEU 52 HD21 LEU 52 2.661 -3.861 -0.150 377 2HD2 LEU 52 HD22 LEU 52 3.974 -3.444 -1.249 378 3HD2 LEU 52 HD23 LEU 52 3.209 -5.030 -1.351 379 H LEU 53 HN LEU 53 5.528 -4.839 -3.413 380 HA LEU 53 HA LEU 53 5.435 -7.103 -5.259 381 1HB LEU 53 HB2 LEU 53 7.594 -5.471 -4.146 382 2HB LEU 53 HB1 LEU 53 7.927 -7.192 -4.087 383 HG LEU 53 HG LEU 53 6.966 -6.027 -6.657 384 1HD1 LEU 53 HD11 LEU 53 9.843 -6.037 -6.515 385 2HD1 LEU 53 HD12 LEU 53 9.153 -4.925 -5.330 386 3HD1 LEU 53 HD13 LEU 53 8.746 -4.757 -7.038 387 1HD2 LEU 53 HD21 LEU 53 7.487 -8.060 -7.368 388 2HD2 LEU 53 HD22 LEU 53 7.980 -8.501 -5.735 389 3HD2 LEU 53 HD23 LEU 53 9.159 -7.827 -6.859 390 H ALA 54 HN ALA 54 4.572 -8.857 -4.448 391 HA ALA 54 HA ALA 54 3.912 -9.520 -1.928 392 1HB ALA 54 HB1 ALA 54 3.471 -11.616 -2.684 393 2HB ALA 54 HB2 ALA 54 4.996 -11.746 -3.555 394 3HB ALA 54 HB3 ALA 54 3.678 -10.789 -4.229 395 H SER 55 HN SER 55 7.145 -9.282 -3.021 396 HA SER 55 HA SER 55 8.332 -11.154 -1.233 397 1HB SER 55 HB2 SER 55 10.384 -10.398 -2.024 398 2HB SER 55 HB1 SER 55 9.319 -9.997 -3.371 399 HG SER 55 HG SER 55 10.326 -8.272 -1.365 400 H TYR 56 HN TYR 56 7.852 -7.658 -1.152 401 HA TYR 56 HA TYR 56 9.035 -7.226 1.379 402 1HB TYR 56 HB2 TYR 56 8.937 -5.261 0.274 403 2HB TYR 56 HB1 TYR 56 7.567 -5.752 -0.681 404 HD1 TYR 56 HD1 TYR 56 8.368 -4.695 2.809 405 HD2 TYR 56 HD2 TYR 56 5.570 -4.671 -0.390 406 HE1 TYR 56 HE1 TYR 56 6.915 -3.179 4.093 407 HE2 TYR 56 HE2 TYR 56 4.113 -3.158 0.877 408 HH TYR 56 HH TYR 56 3.705 -2.332 2.973 409 H LEU 57 HN LEU 57 5.694 -7.053 0.299 410 HA LEU 57 HA LEU 57 4.452 -6.867 2.756 411 1HB LEU 57 HB2 LEU 57 3.591 -7.026 0.189 412 2HB LEU 57 HB1 LEU 57 3.079 -8.587 0.793 413 HG LEU 57 HG LEU 57 1.537 -7.671 2.258 414 1HD1 LEU 57 HD11 LEU 57 1.669 -5.024 2.561 415 2HD1 LEU 57 HD12 LEU 57 3.383 -5.361 2.314 416 3HD1 LEU 57 HD13 LEU 57 2.507 -6.152 3.625 417 1HD2 LEU 57 HD21 LEU 57 1.505 -6.793 -0.371 418 2HD2 LEU 57 HD22 LEU 57 1.137 -5.360 0.580 419 3HD2 LEU 57 HD23 LEU 57 0.150 -6.808 0.753 420 H ASN 58 HN ASN 58 5.706 -9.707 1.126 421 HA ASN 58 HA ASN 58 4.550 -11.640 2.838 422 1HB ASN 58 HB2 ASN 58 5.441 -12.347 0.711 423 2HB ASN 58 HB1 ASN 58 7.036 -11.726 1.117 424 1HD2 ASN 58 HD21 ASN 58 5.109 -14.424 1.007 425 2HD2 ASN 58 HD22 ASN 58 6.041 -15.466 2.020 426 H THR 59 HN THR 59 7.522 -9.776 2.949 427 HA THR 59 HA THR 59 8.594 -11.167 5.208 428 HB THR 59 HB THR 59 9.809 -8.626 4.999 429 HG1 THR 59 HG1 THR 59 9.599 -9.802 2.445 430 1HG2 THR 59 HG21 THR 59 11.539 -10.102 3.670 431 2HG2 THR 59 HG22 THR 59 10.549 -11.412 4.316 432 3HG2 THR 59 HG23 THR 59 11.320 -10.267 5.413 433 H LEU 60 HN LEU 60 6.375 -8.569 4.789 434 HA LEU 60 HA LEU 60 6.655 -6.940 6.931 435 1HB LEU 60 HB2 LEU 60 4.301 -8.077 5.556 436 2HB LEU 60 HB1 LEU 60 4.004 -7.335 7.114 437 HG LEU 60 HG LEU 60 3.752 -5.905 4.991 438 1HD1 LEU 60 HD11 LEU 60 4.539 -3.916 6.171 439 2HD1 LEU 60 HD12 LEU 60 5.433 -4.940 7.297 440 3HD1 LEU 60 HD13 LEU 60 3.670 -5.010 7.249 441 1HD2 LEU 60 HD21 LEU 60 5.514 -5.555 3.700 442 2HD2 LEU 60 HD22 LEU 60 6.446 -6.668 4.695 443 3HD2 LEU 60 HD23 LEU 60 6.436 -4.947 5.075 444 HA PRO 61 HA PRO 61 6.594 -9.106 10.758 445 1HB PRO 61 HB2 PRO 61 4.635 -7.088 11.707 446 2HB PRO 61 HB1 PRO 61 6.209 -7.531 12.377 447 1HG PRO 61 HG2 PRO 61 5.884 -5.239 11.056 448 2HG PRO 61 HG1 PRO 61 7.369 -6.194 10.878 449 1HD PRO 61 HD2 PRO 61 5.042 -5.942 9.019 450 2HD PRO 61 HD1 PRO 61 6.777 -6.047 8.649 451 H GLU 62 HN GLU 62 4.643 -9.352 12.626 452 HA GLU 62 HA GLU 62 2.947 -11.331 11.495 453 1HB GLU 62 HB2 GLU 62 2.147 -11.697 13.711 454 2HB GLU 62 HB1 GLU 62 3.868 -11.360 13.831 455 1HG GLU 62 HG2 GLU 62 3.137 -8.930 14.269 456 2HG GLU 62 HG1 GLU 62 1.554 -9.630 14.596 457 H ASN 63 HN ASN 63 0.580 -11.112 12.710 458 HA ASN 63 HA ASN 63 -1.054 -9.935 11.029 459 1HB ASN 63 HB2 ASN 63 -1.830 -11.362 12.836 460 2HB ASN 63 HB1 ASN 63 -1.491 -10.089 14.005 461 1HD2 ASN 63 HD21 ASN 63 -2.965 -8.532 14.351 462 2HD2 ASN 63 HD22 ASN 63 -4.484 -8.426 13.534 463 H THR 64 HN THR 64 0.311 -7.969 10.515 464 HA THR 64 HA THR 64 -0.605 -5.683 12.140 465 HB THR 64 HB THR 64 1.479 -4.552 11.048 466 HG1 THR 64 HG1 THR 64 2.602 -7.100 11.213 467 1HG2 THR 64 HG21 THR 64 2.186 -6.563 13.136 468 2HG2 THR 64 HG22 THR 64 1.105 -5.221 13.508 469 3HG2 THR 64 HG23 THR 64 2.745 -4.901 12.945 470 H THR 65 HN THR 65 -1.343 -3.859 11.069 471 HA THR 65 HA THR 65 -2.166 -4.334 8.326 472 HB THR 65 HB THR 65 -3.931 -3.635 9.628 473 HG1 THR 65 HG1 THR 65 -2.987 -1.240 8.459 474 1HG2 THR 65 HG21 THR 65 -3.108 -2.838 11.633 475 2HG2 THR 65 HG22 THR 65 -3.814 -1.401 10.893 476 3HG2 THR 65 HG23 THR 65 -2.067 -1.653 10.844 477 H LYS 66 HN LYS 66 -0.223 -4.063 7.324 478 HA LYS 66 HA LYS 66 1.400 -1.753 7.513 479 1HB LYS 66 HB2 LYS 66 2.186 -3.919 6.612 480 2HB LYS 66 HB1 LYS 66 1.152 -3.697 5.211 481 1HG LYS 66 HG2 LYS 66 3.479 -3.140 4.740 482 2HG LYS 66 HG1 LYS 66 2.418 -1.746 4.543 483 1HD LYS 66 HD2 LYS 66 3.292 -0.657 6.354 484 2HD LYS 66 HD1 LYS 66 3.702 -2.153 7.191 485 1HE LYS 66 HE2 LYS 66 5.432 -2.449 5.283 486 2HE LYS 66 HE1 LYS 66 5.204 -0.718 5.039 487 1HZ LYS 66 HZ1 LYS 66 6.419 -2.133 7.295 488 2HZ LYS 66 HZ2 LYS 66 5.607 -0.685 7.614 489 3HZ LYS 66 HZ3 LYS 66 6.905 -0.705 6.530 490 H THR 67 HN THR 67 0.147 0.083 7.335 491 HA THR 67 HA THR 67 -1.618 0.481 5.109 492 HB THR 67 HB THR 67 -2.165 1.488 7.237 493 HG1 THR 67 HG1 THR 67 -2.945 2.784 5.704 494 1HG2 THR 67 HG21 THR 67 -0.847 3.410 8.096 495 2HG2 THR 67 HG22 THR 67 0.434 2.959 6.976 496 3HG2 THR 67 HG23 THR 67 -0.050 1.847 8.254 497 H LEU 68 HN LEU 68 -1.175 1.385 3.182 498 HA LEU 68 HA LEU 68 1.516 2.419 2.742 499 1HB LEU 68 HB2 LEU 68 0.610 2.213 0.302 500 2HB LEU 68 HB1 LEU 68 1.210 0.810 1.151 501 HG LEU 68 HG LEU 68 -1.703 1.481 1.203 502 1HD1 LEU 68 HD11 LEU 68 -0.188 0.139 -1.014 503 2HD1 LEU 68 HD12 LEU 68 -1.290 1.514 -1.116 504 3HD1 LEU 68 HD13 LEU 68 -1.917 -0.087 -0.750 505 1HD2 LEU 68 HD21 LEU 68 -1.976 -0.605 2.000 506 2HD2 LEU 68 HD22 LEU 68 -0.299 -0.389 2.504 507 3HD2 LEU 68 HD23 LEU 68 -0.666 -1.266 1.019 508 H THR 69 HN THR 69 1.379 4.575 3.331 509 HA THR 69 HA THR 69 -0.755 6.179 2.137 510 HB THR 69 HB THR 69 1.323 7.031 4.156 511 HG1 THR 69 HG1 THR 69 0.114 6.170 5.627 512 1HG2 THR 69 HG21 THR 69 -1.067 8.352 2.997 513 2HG2 THR 69 HG22 THR 69 0.501 9.026 3.422 514 3HG2 THR 69 HG23 THR 69 -0.663 8.647 4.688 515 H PHE 70 HN PHE 70 -0.179 6.608 0.049 516 HA PHE 70 HA PHE 70 2.476 7.178 -0.761 517 1HB PHE 70 HB2 PHE 70 0.019 8.029 -2.277 518 2HB PHE 70 HB1 PHE 70 1.575 7.526 -2.909 519 HD1 PHE 70 HD1 PHE 70 -1.709 6.505 -1.988 520 HD2 PHE 70 HD2 PHE 70 2.232 5.096 -2.713 521 HE1 PHE 70 HE1 PHE 70 -2.586 4.228 -2.302 522 HE2 PHE 70 HE2 PHE 70 1.362 2.815 -3.028 523 HZ PHE 70 HZ PHE 70 -1.044 2.382 -2.823 524 H ASP 71 HN ASP 71 3.535 8.966 -0.166 525 HA ASP 71 HA ASP 71 2.211 11.313 0.742 526 1HB ASP 71 HB2 ASP 71 4.417 10.727 1.571 527 2HB ASP 71 HB1 ASP 71 5.089 10.884 -0.043 528 H PHE 72 HN PHE 72 0.966 12.294 -0.665 529 HA PHE 72 HA PHE 72 1.907 12.852 -3.365 530 1HB PHE 72 HB2 PHE 72 -0.686 12.604 -2.074 531 2HB PHE 72 HB1 PHE 72 -0.583 14.059 -3.063 532 HD1 PHE 72 HD1 PHE 72 -0.776 10.446 -3.059 533 HD2 PHE 72 HD2 PHE 72 -0.094 13.882 -5.474 534 HE1 PHE 72 HE1 PHE 72 -1.159 9.098 -5.080 535 HE2 PHE 72 HE2 PHE 72 -0.474 12.540 -7.497 536 HZ PHE 72 HZ PHE 72 -1.001 10.145 -7.300 537 H GLY 73 HN GLY 73 2.933 14.159 -0.836 538 1HA GLY 73 HA2 GLY 73 3.753 16.227 -0.281 539 2HA GLY 73 HA1 GLY 73 3.323 16.742 -1.904 540 H VAL 74 HN VAL 74 0.621 15.492 -0.438 541 HA VAL 74 HA VAL 74 -0.218 18.152 0.506 542 HB VAL 74 HB VAL 74 -2.541 17.448 -0.170 543 1HG1 VAL 74 HG11 VAL 74 -0.421 18.545 -1.693 544 2HG1 VAL 74 HG12 VAL 74 -2.153 18.839 -1.851 545 3HG1 VAL 74 HG13 VAL 74 -1.392 17.538 -2.766 546 1HG2 VAL 74 HG21 VAL 74 -0.963 15.194 -1.324 547 2HG2 VAL 74 HG22 VAL 74 -2.401 15.766 -2.167 548 3HG2 VAL 74 HG23 VAL 74 -2.528 15.171 -0.512 549 H GLY 75 HN GLY 75 -0.739 14.654 0.790 550 1HA GLY 75 HA2 GLY 75 -1.068 13.397 2.696 551 2HA GLY 75 HA1 GLY 75 -0.914 14.854 3.653 552 H THR 76 HN THR 76 -3.044 16.274 2.342 553 HA THR 76 HA THR 76 -5.190 15.614 3.946 554 HB THR 76 HB THR 76 -5.175 17.064 1.295 555 HG1 THR 76 HG1 THR 76 -3.950 18.067 2.911 556 1HG2 THR 76 HG21 THR 76 -7.443 16.430 1.729 557 2HG2 THR 76 HG22 THR 76 -7.248 18.147 2.087 558 3HG2 THR 76 HG23 THR 76 -7.319 16.972 3.402 559 H LYS 77 HN LYS 77 -5.349 15.299 0.419 560 HA LYS 77 HA LYS 77 -7.262 13.167 0.696 561 1HB LYS 77 HB2 LYS 77 -7.785 13.476 -1.543 562 2HB LYS 77 HB1 LYS 77 -7.362 15.091 -1.004 563 1HG LYS 77 HG2 LYS 77 -5.727 13.204 -2.663 564 2HG LYS 77 HG1 LYS 77 -6.350 14.786 -3.112 565 1HD LYS 77 HD2 LYS 77 -4.406 14.472 -0.854 566 2HD LYS 77 HD1 LYS 77 -3.854 14.545 -2.523 567 1HE LYS 77 HE2 LYS 77 -4.069 16.721 -1.035 568 2HE LYS 77 HE1 LYS 77 -4.394 16.741 -2.765 569 1HZ LYS 77 HZ1 LYS 77 -6.774 16.434 -2.219 570 2HZ LYS 77 HZ2 LYS 77 -6.135 17.886 -1.635 571 3HZ LYS 77 HZ3 LYS 77 -6.394 16.594 -0.577 572 H ASN 78 HN ASN 78 -4.144 13.092 1.081 573 HA ASN 78 HA ASN 78 -2.894 11.433 -0.669 574 1HB ASN 78 HB2 ASN 78 -1.775 12.320 1.293 575 2HB ASN 78 HB1 ASN 78 -2.769 11.321 2.347 576 1HD2 ASN 78 HD21 ASN 78 0.124 11.452 2.051 577 2HD2 ASN 78 HD22 ASN 78 0.636 9.848 1.658 578 HA PRO 79 HA PRO 79 -5.291 7.697 -0.447 579 1HB PRO 79 HB2 PRO 79 -3.594 6.293 -2.192 580 2HB PRO 79 HB1 PRO 79 -4.984 7.265 -2.634 581 1HG PRO 79 HG2 PRO 79 -2.274 7.826 -3.204 582 2HG PRO 79 HG1 PRO 79 -3.668 8.873 -3.497 583 1HD PRO 79 HD2 PRO 79 -1.680 8.942 -1.305 584 2HD PRO 79 HD1 PRO 79 -2.663 10.253 -1.987 585 H LYS 80 HN LYS 80 -4.729 7.241 1.765 586 HA LYS 80 HA LYS 80 -2.415 5.487 2.132 587 1HB LYS 80 HB2 LYS 80 -3.324 5.734 4.625 588 2HB LYS 80 HB1 LYS 80 -2.264 6.920 3.885 589 1HG LYS 80 HG2 LYS 80 -5.213 7.256 3.638 590 2HG LYS 80 HG1 LYS 80 -4.414 7.667 5.158 591 1HD LYS 80 HD2 LYS 80 -3.351 8.708 2.560 592 2HD LYS 80 HD1 LYS 80 -4.721 9.497 3.342 593 1HE LYS 80 HE2 LYS 80 -2.528 8.929 5.174 594 2HE LYS 80 HE1 LYS 80 -2.061 9.993 3.850 595 1HZ LYS 80 HZ1 LYS 80 -3.714 10.535 6.118 596 2HZ LYS 80 HZ2 LYS 80 -4.470 10.969 4.668 597 3HZ LYS 80 HZ3 LYS 80 -2.956 11.613 5.057 598 H LEU 81 HN LEU 81 -2.820 3.439 1.727 599 HA LEU 81 HA LEU 81 -5.426 2.318 2.360 600 1HB LEU 81 HB2 LEU 81 -3.383 0.550 1.208 601 2HB LEU 81 HB1 LEU 81 -5.077 0.730 0.796 602 HG LEU 81 HG LEU 81 -2.751 2.363 -0.161 603 1HD1 LEU 81 HD11 LEU 81 -4.705 1.477 -2.090 604 2HD1 LEU 81 HD12 LEU 81 -4.063 0.124 -1.155 605 3HD1 LEU 81 HD13 LEU 81 -2.965 1.189 -2.036 606 1HD2 LEU 81 HD21 LEU 81 -5.451 3.242 0.309 607 2HD2 LEU 81 HD22 LEU 81 -5.067 3.291 -1.407 608 3HD2 LEU 81 HD23 LEU 81 -4.055 4.160 -0.254 609 H THR 82 HN THR 82 -5.371 0.024 3.194 610 HA THR 82 HA THR 82 -3.338 -0.211 5.311 611 HB THR 82 HB THR 82 -5.776 -1.435 6.149 612 HG1 THR 82 HG1 THR 82 -6.109 1.310 5.597 613 1HG2 THR 82 HG21 THR 82 -5.207 -0.547 8.098 614 2HG2 THR 82 HG22 THR 82 -5.202 1.084 7.434 615 3HG2 THR 82 HG23 THR 82 -3.766 0.066 7.289 616 H ILE 83 HN ILE 83 -2.182 -1.995 5.077 617 HA ILE 83 HA ILE 83 -3.372 -4.307 3.704 618 HB ILE 83 HB ILE 83 -0.464 -3.755 4.288 619 1HG1 ILE 83 HG12 ILE 83 -2.049 -2.491 2.418 620 2HG1 ILE 83 HG11 ILE 83 -0.296 -2.623 2.359 621 1HG2 ILE 83 HG21 ILE 83 -0.188 -5.583 2.521 622 2HG2 ILE 83 HG22 ILE 83 -1.874 -5.975 2.856 623 3HG2 ILE 83 HG23 ILE 83 -0.674 -6.070 4.144 624 1HD1 ILE 83 HD11 ILE 83 -0.335 -4.222 0.731 625 2HD1 ILE 83 HD12 ILE 83 -1.767 -3.286 0.311 626 3HD1 ILE 83 HD13 ILE 83 -1.935 -4.809 1.187 627 H THR 84 HN THR 84 -4.407 -5.451 5.284 628 HA THR 84 HA THR 84 -3.246 -5.847 7.881 629 HB THR 84 HB THR 84 -5.669 -6.965 6.488 630 HG1 THR 84 HG1 THR 84 -5.362 -5.325 8.776 631 1HG2 THR 84 HG21 THR 84 -4.448 -7.863 9.036 632 2HG2 THR 84 HG22 THR 84 -5.357 -8.775 7.831 633 3HG2 THR 84 HG23 THR 84 -6.203 -7.706 8.951 634 H VAL 85 HN VAL 85 -1.231 -6.789 7.460 635 HA VAL 85 HA VAL 85 -1.196 -9.369 6.104 636 HB VAL 85 HB VAL 85 0.622 -8.158 5.383 637 1HG1 VAL 85 HG11 VAL 85 0.456 -6.275 6.875 638 2HG1 VAL 85 HG12 VAL 85 2.117 -6.859 6.867 639 3HG1 VAL 85 HG13 VAL 85 1.056 -7.243 8.220 640 1HG2 VAL 85 HG21 VAL 85 2.364 -9.514 5.863 641 2HG2 VAL 85 HG22 VAL 85 1.123 -10.430 6.721 642 3HG2 VAL 85 HG23 VAL 85 2.172 -9.323 7.605 643 H LEU 86 HN LEU 86 -1.376 -11.197 7.149 644 HA LEU 86 HA LEU 86 -0.385 -11.371 9.905 645 1HB LEU 86 HB2 LEU 86 -2.418 -12.818 10.406 646 2HB LEU 86 HB1 LEU 86 -2.669 -11.086 10.308 647 HG LEU 86 HG LEU 86 -3.154 -12.778 7.890 648 1HD1 LEU 86 HD11 LEU 86 -4.327 -13.691 10.005 649 2HD1 LEU 86 HD12 LEU 86 -5.279 -13.419 8.546 650 3HD1 LEU 86 HD13 LEU 86 -5.335 -12.250 9.865 651 1HD2 LEU 86 HD21 LEU 86 -3.213 -10.125 8.229 652 2HD2 LEU 86 HD22 LEU 86 -4.869 -10.509 8.692 653 3HD2 LEU 86 HD23 LEU 86 -4.268 -10.973 7.101 654 HA PRO 87 HA PRO 87 1.292 -14.975 7.732 655 1HB PRO 87 HB2 PRO 87 3.402 -15.337 9.362 656 2HB PRO 87 HB1 PRO 87 3.386 -14.085 8.117 657 1HG PRO 87 HG2 PRO 87 2.870 -13.841 11.053 658 2HG PRO 87 HG1 PRO 87 3.809 -12.778 9.990 659 1HD PRO 87 HD2 PRO 87 1.247 -12.248 10.777 660 2HD PRO 87 HD1 PRO 87 1.941 -11.669 9.250 661 H LYS 88 HN LYS 88 0.710 -14.539 11.098 662 HA LYS 88 HA LYS 88 0.847 -17.236 11.921 663 1HB LYS 88 HB2 LYS 88 -1.013 -15.886 13.576 664 2HB LYS 88 HB1 LYS 88 0.663 -16.267 13.920 665 1HG LYS 88 HG2 LYS 88 1.344 -14.149 12.894 666 2HG LYS 88 HG1 LYS 88 -0.346 -13.767 12.578 667 1HD LYS 88 HD2 LYS 88 0.000 -14.491 15.336 668 2HD LYS 88 HD1 LYS 88 1.136 -13.212 14.899 669 1HE LYS 88 HE2 LYS 88 -0.509 -11.697 14.489 670 2HE LYS 88 HE1 LYS 88 -1.660 -12.928 13.974 671 1HZ LYS 88 HZ1 LYS 88 -1.407 -13.552 16.539 672 2HZ LYS 88 HZ2 LYS 88 -2.570 -12.468 15.964 673 3HZ LYS 88 HZ3 LYS 88 -1.128 -11.885 16.633 674 H ASP 89 HN ASP 89 -0.640 -18.837 12.021 675 HA ASP 89 HA ASP 89 -3.420 -18.287 11.364 676 1HB ASP 89 HB2 ASP 89 -1.845 -18.867 9.267 677 2HB ASP 89 HB1 ASP 89 -2.220 -20.506 9.793 678 H ILE 90 HN ILE 90 -4.775 -20.277 11.577 679 HA ILE 90 HA ILE 90 -3.783 -21.867 13.828 680 HB ILE 90 HB ILE 90 -6.604 -21.584 12.782 681 1HG1 ILE 90 HG12 ILE 90 -5.939 -19.478 13.687 682 2HG1 ILE 90 HG11 ILE 90 -6.913 -20.271 14.921 683 1HG2 ILE 90 HG21 ILE 90 -6.040 -23.717 13.978 684 2HG2 ILE 90 HG22 ILE 90 -7.318 -22.756 14.724 685 3HG2 ILE 90 HG23 ILE 90 -5.693 -22.744 15.407 686 1HD1 ILE 90 HD11 ILE 90 -4.933 -20.881 16.147 687 2HD1 ILE 90 HD12 ILE 90 -4.925 -19.148 15.830 688 3HD1 ILE 90 HD13 ILE 90 -3.906 -20.223 14.874 689 HA PRO 91 HA PRO 91 -3.322 -25.432 11.235 690 1HB PRO 91 HB2 PRO 91 -3.308 -27.340 13.167 691 2HB PRO 91 HB1 PRO 91 -1.935 -26.269 12.865 692 1HG PRO 91 HG2 PRO 91 -4.064 -26.073 14.960 693 2HG PRO 91 HG1 PRO 91 -2.316 -25.814 15.114 694 1HD PRO 91 HD2 PRO 91 -4.075 -23.768 14.904 695 2HD PRO 91 HD1 PRO 91 -2.427 -23.679 14.248 696 H GLY 92 HN GLY 92 -5.007 -26.025 10.010 697 1HA GLY 92 HA2 GLY 92 -6.937 -27.870 10.977 698 2HA GLY 92 HA1 GLY 92 -7.657 -26.277 10.797 699 H LEU 93 HN LEU 93 -5.103 -27.487 8.724 700 HA LEU 93 HA LEU 93 -5.052 -28.074 6.523 701 1HB LEU 93 HB2 LEU 93 -7.169 -29.426 7.410 702 2HB LEU 93 HB1 LEU 93 -8.010 -28.322 6.337 703 HG LEU 93 HG LEU 93 -7.622 -30.244 5.048 704 1HD1 LEU 93 HD11 LEU 93 -5.828 -29.525 3.412 705 2HD1 LEU 93 HD12 LEU 93 -5.536 -28.158 4.484 706 3HD1 LEU 93 HD13 LEU 93 -7.115 -28.360 3.727 707 1HD2 LEU 93 HD21 LEU 93 -4.760 -30.525 5.183 708 2HD2 LEU 93 HD22 LEU 93 -6.021 -31.720 5.487 709 3HD2 LEU 93 HD23 LEU 93 -5.476 -30.662 6.789 710 H GLU 94 HN GLU 94 -5.260 -25.359 7.324 711 HA GLU 94 HA GLU 94 -5.755 -23.264 6.559 712 1HB GLU 94 HB2 GLU 94 -5.256 -22.905 4.255 713 2HB GLU 94 HB1 GLU 94 -4.223 -24.215 4.807 714 1HG GLU 94 HG2 GLU 94 -5.509 -25.838 3.684 715 2HG GLU 94 HG1 GLU 94 -6.827 -24.704 3.400 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -6.124 15.649 -0.315 2 2H MET 1 HT2 MET 1 -5.451 15.998 1.220 3 3H MET 1 HT3 MET 1 -4.555 16.329 -0.199 4 HA MET 1 HA MET 1 -7.020 17.639 0.717 5 1HB MET 1 HB2 MET 1 -4.480 18.068 1.514 6 2HB MET 1 HB1 MET 1 -4.512 19.087 0.082 7 1HG MET 1 HG2 MET 1 -5.061 20.327 2.115 8 2HG MET 1 HG1 MET 1 -6.388 20.325 0.958 9 1HE MET 1 HE1 MET 1 -6.762 20.991 4.292 10 2HE MET 1 HE2 MET 1 -5.286 20.029 4.352 11 3HE MET 1 HE3 MET 1 -6.716 19.501 5.236 12 H GLN 2 HN GLN 2 -4.670 17.207 -1.881 13 HA GLN 2 HA GLN 2 -5.835 19.129 -3.620 14 1HB GLN 2 HB2 GLN 2 -3.809 16.951 -3.914 15 2HB GLN 2 HB1 GLN 2 -4.498 17.666 -5.364 16 1HG GLN 2 HG2 GLN 2 -2.321 18.641 -4.516 17 2HG GLN 2 HG1 GLN 2 -3.620 19.774 -4.886 18 1HE2 GLN 2 HE21 GLN 2 -1.230 19.328 -2.829 19 2HE2 GLN 2 HE22 GLN 2 -1.897 19.995 -1.382 20 H ASP 3 HN ASP 3 -5.476 16.091 -5.191 21 HA ASP 3 HA ASP 3 -8.128 15.147 -4.932 22 1HB ASP 3 HB2 ASP 3 -7.785 17.323 -6.720 23 2HB ASP 3 HB1 ASP 3 -8.108 15.883 -7.677 24 HA PRO 4 HA PRO 4 -4.894 12.509 -7.200 25 1HB PRO 4 HB2 PRO 4 -4.046 10.955 -5.168 26 2HB PRO 4 HB1 PRO 4 -3.304 12.520 -5.520 27 1HG PRO 4 HG2 PRO 4 -5.347 11.821 -3.445 28 2HG PRO 4 HG1 PRO 4 -3.902 12.835 -3.290 29 1HD PRO 4 HD2 PRO 4 -6.400 13.857 -3.631 30 2HD PRO 4 HD1 PRO 4 -4.933 14.666 -4.219 31 H THR 5 HN THR 5 -5.438 10.483 -8.001 32 HA THR 5 HA THR 5 -7.650 9.113 -6.617 33 HB THR 5 HB THR 5 -7.347 9.310 -9.610 34 HG1 THR 5 HG1 THR 5 -8.010 11.266 -8.260 35 1HG2 THR 5 HG21 THR 5 -9.186 8.054 -9.859 36 2HG2 THR 5 HG22 THR 5 -9.940 8.675 -8.388 37 3HG2 THR 5 HG23 THR 5 -8.708 7.415 -8.285 38 H ILE 6 HN ILE 6 -6.010 7.787 -5.661 39 HA ILE 6 HA ILE 6 -4.884 5.831 -7.548 40 HB ILE 6 HB ILE 6 -2.980 5.576 -6.246 41 1HG1 ILE 6 HG12 ILE 6 -4.365 7.032 -3.980 42 2HG1 ILE 6 HG11 ILE 6 -4.140 5.288 -4.071 43 1HG2 ILE 6 HG21 ILE 6 -2.021 7.641 -6.346 44 2HG2 ILE 6 HG22 ILE 6 -3.386 8.439 -5.569 45 3HG2 ILE 6 HG23 ILE 6 -3.491 7.960 -7.262 46 1HD1 ILE 6 HD11 ILE 6 -2.461 6.067 -2.642 47 2HD1 ILE 6 HD12 ILE 6 -2.062 7.413 -3.708 48 3HD1 ILE 6 HD13 ILE 6 -1.655 5.764 -4.181 49 H ASN 7 HN ASN 7 -4.082 3.889 -5.918 50 HA ASN 7 HA ASN 7 -6.089 2.124 -5.642 51 1HB ASN 7 HB2 ASN 7 -4.705 0.975 -3.934 52 2HB ASN 7 HB1 ASN 7 -3.767 1.518 -5.319 53 1HD2 ASN 7 HD21 ASN 7 -2.576 3.541 -5.079 54 2HD2 ASN 7 HD22 ASN 7 -1.957 3.965 -3.525 55 HA PRO 8 HA PRO 8 -8.871 2.787 -2.397 56 1HB PRO 8 HB2 PRO 8 -7.956 0.297 -1.055 57 2HB PRO 8 HB1 PRO 8 -9.579 0.763 -1.575 58 1HG PRO 8 HG2 PRO 8 -8.186 -1.032 -2.950 59 2HG PRO 8 HG1 PRO 8 -9.189 0.164 -3.783 60 1HD PRO 8 HD2 PRO 8 -6.223 0.095 -3.418 61 2HD PRO 8 HD1 PRO 8 -7.172 0.600 -4.832 62 H THR 9 HN THR 9 -8.652 1.811 0.309 63 HA THR 9 HA THR 9 -6.319 3.273 1.298 64 HB THR 9 HB THR 9 -9.043 3.638 2.524 65 HG1 THR 9 HG1 THR 9 -7.822 5.043 0.410 66 1HG2 THR 9 HG21 THR 9 -6.954 4.234 3.816 67 2HG2 THR 9 HG22 THR 9 -8.156 5.510 3.615 68 3HG2 THR 9 HG23 THR 9 -6.700 5.503 2.618 69 H SER 10 HN SER 10 -7.968 0.415 1.355 70 HA SER 10 HA SER 10 -6.521 -0.501 3.633 71 1HB SER 10 HB2 SER 10 -9.411 -0.890 4.143 72 2HB SER 10 HB1 SER 10 -8.087 -0.617 5.276 73 HG SER 10 HG SER 10 -9.852 1.118 4.555 74 H ILE 11 HN ILE 11 -6.311 -2.660 3.703 75 HA ILE 11 HA ILE 11 -8.107 -4.451 2.340 76 HB ILE 11 HB ILE 11 -6.216 -5.467 1.016 77 1HG1 ILE 11 HG12 ILE 11 -4.944 -2.847 1.776 78 2HG1 ILE 11 HG11 ILE 11 -4.291 -4.467 1.975 79 1HG2 ILE 11 HG21 ILE 11 -6.572 -4.044 -0.875 80 2HG2 ILE 11 HG22 ILE 11 -7.026 -2.697 0.165 81 3HG2 ILE 11 HG23 ILE 11 -8.066 -4.117 0.054 82 1HD1 ILE 11 HD11 ILE 11 -4.841 -3.351 -0.741 83 2HD1 ILE 11 HD12 ILE 11 -3.755 -4.661 -0.269 84 3HD1 ILE 11 HD13 ILE 11 -3.346 -2.989 0.116 85 H SER 12 HN SER 12 -7.088 -6.770 2.466 86 HA SER 12 HA SER 12 -5.344 -7.086 4.776 87 1HB SER 12 HB2 SER 12 -7.454 -8.936 5.194 88 2HB SER 12 HB1 SER 12 -6.963 -7.595 6.228 89 HG SER 12 HG SER 12 -8.665 -6.542 5.607 90 H ALA 13 HN ALA 13 -4.183 -8.943 4.789 91 HA ALA 13 HA ALA 13 -4.824 -11.274 3.321 92 1HB ALA 13 HB1 ALA 13 -3.964 -10.884 1.311 93 2HB ALA 13 HB2 ALA 13 -2.420 -10.422 2.027 94 3HB ALA 13 HB3 ALA 13 -3.678 -9.211 1.787 95 H LYS 14 HN LYS 14 -3.379 -12.978 3.773 96 HA LYS 14 HA LYS 14 -1.852 -12.649 6.162 97 1HB LYS 14 HB2 LYS 14 -2.813 -14.769 5.948 98 2HB LYS 14 HB1 LYS 14 -2.336 -14.926 4.265 99 1HG LYS 14 HG2 LYS 14 -0.131 -14.742 6.210 100 2HG LYS 14 HG1 LYS 14 -1.122 -16.199 6.290 101 1HD LYS 14 HD2 LYS 14 -0.781 -16.202 3.692 102 2HD LYS 14 HD1 LYS 14 0.612 -15.199 4.079 103 1HE LYS 14 HE2 LYS 14 1.566 -16.903 5.431 104 2HE LYS 14 HE1 LYS 14 0.082 -17.857 5.388 105 1HZ LYS 14 HZ1 LYS 14 0.419 -18.226 3.033 106 2HZ LYS 14 HZ2 LYS 14 1.777 -18.740 3.899 107 3HZ LYS 14 HZ3 LYS 14 1.821 -17.280 3.048 108 H ALA 15 HN ALA 15 0.454 -12.882 6.436 109 HA ALA 15 HA ALA 15 1.920 -11.552 4.416 110 1HB ALA 15 HB1 ALA 15 2.390 -11.852 7.021 111 2HB ALA 15 HB2 ALA 15 3.676 -11.476 5.869 112 3HB ALA 15 HB3 ALA 15 3.433 -13.140 6.414 113 H GLY 16 HN GLY 16 2.118 -12.395 2.565 114 1HA GLY 16 HA2 GLY 16 3.653 -13.934 1.309 115 2HA GLY 16 HA1 GLY 16 2.940 -15.216 2.295 116 H SER 17 HN SER 17 0.342 -14.248 2.398 117 HA SER 17 HA SER 17 -0.720 -15.208 -0.063 118 1HB SER 17 HB2 SER 17 -2.375 -15.597 1.410 119 2HB SER 17 HB1 SER 17 -1.656 -14.508 2.584 120 HG SER 17 HG SER 17 -2.813 -12.843 1.781 121 H PHE 18 HN PHE 18 0.917 -12.565 0.367 122 HA PHE 18 HA PHE 18 -0.864 -10.649 -0.869 123 1HB PHE 18 HB2 PHE 18 1.812 -10.557 0.444 124 2HB PHE 18 HB1 PHE 18 1.259 -9.227 -0.536 125 HD1 PHE 18 HD1 PHE 18 1.355 -10.558 2.688 126 HD2 PHE 18 HD2 PHE 18 -1.129 -8.310 0.067 127 HE1 PHE 18 HE1 PHE 18 0.131 -9.664 4.625 128 HE2 PHE 18 HE2 PHE 18 -2.359 -7.410 2.003 129 HZ PHE 18 HZ PHE 18 -1.724 -8.090 4.283 130 H ALA 19 HN ALA 19 -0.913 -11.841 -2.883 131 HA ALA 19 HA ALA 19 1.443 -12.309 -4.397 132 1HB ALA 19 HB1 ALA 19 -1.297 -11.920 -5.567 133 2HB ALA 19 HB2 ALA 19 -0.823 -13.399 -4.730 134 3HB ALA 19 HB3 ALA 19 0.029 -12.900 -6.189 135 H ASP 20 HN ASP 20 2.461 -11.068 -5.930 136 HA ASP 20 HA ASP 20 2.794 -8.431 -5.738 137 1HB ASP 20 HB2 ASP 20 4.078 -9.731 -7.326 138 2HB ASP 20 HB1 ASP 20 2.657 -9.966 -8.336 139 H THR 21 HN THR 21 1.673 -6.572 -6.025 140 HA THR 21 HA THR 21 -0.824 -6.757 -7.549 141 HB THR 21 HB THR 21 -0.487 -5.048 -5.092 142 HG1 THR 21 HG1 THR 21 -1.124 -6.667 -3.868 143 1HG2 THR 21 HG21 THR 21 -3.103 -5.782 -5.254 144 2HG2 THR 21 HG22 THR 21 -2.662 -5.587 -6.951 145 3HG2 THR 21 HG23 THR 21 -2.433 -4.254 -5.823 146 H LYS 22 HN LYS 22 -1.521 -4.859 -8.507 147 HA LYS 22 HA LYS 22 0.563 -2.928 -9.068 148 1HB LYS 22 HB2 LYS 22 -1.283 -2.591 -11.035 149 2HB LYS 22 HB1 LYS 22 0.136 -3.606 -11.173 150 1HG LYS 22 HG2 LYS 22 -1.188 -5.543 -10.482 151 2HG LYS 22 HG1 LYS 22 -2.619 -4.512 -10.389 152 1HD LYS 22 HD2 LYS 22 -2.987 -4.903 -12.545 153 2HD LYS 22 HD1 LYS 22 -1.481 -4.065 -12.923 154 1HE LYS 22 HE2 LYS 22 -1.072 -6.797 -11.996 155 2HE LYS 22 HE1 LYS 22 -2.046 -6.706 -13.463 156 1HZ LYS 22 HZ1 LYS 22 -0.253 -6.217 -14.651 157 2HZ LYS 22 HZ2 LYS 22 0.688 -6.559 -13.291 158 3HZ LYS 22 HZ3 LYS 22 0.199 -4.969 -13.603 159 H ILE 23 HN ILE 23 -0.016 -0.770 -9.364 160 HA ILE 23 HA ILE 23 -2.566 0.072 -8.240 161 HB ILE 23 HB ILE 23 0.109 0.867 -7.221 162 1HG1 ILE 23 HG12 ILE 23 -0.823 -1.276 -6.396 163 2HG1 ILE 23 HG11 ILE 23 -0.586 -0.080 -5.127 164 1HG2 ILE 23 HG21 ILE 23 -1.164 2.866 -7.272 165 2HG2 ILE 23 HG22 ILE 23 -1.207 2.287 -5.606 166 3HG2 ILE 23 HG23 ILE 23 -2.595 2.037 -6.663 167 1HD1 ILE 23 HD11 ILE 23 -2.763 0.001 -4.643 168 2HD1 ILE 23 HD12 ILE 23 -2.839 -1.536 -5.500 169 3HD1 ILE 23 HD13 ILE 23 -3.245 -0.038 -6.339 170 H THR 24 HN THR 24 -3.148 2.242 -8.771 171 HA THR 24 HA THR 24 -1.497 3.410 -10.914 172 HB THR 24 HB THR 24 -4.482 3.743 -10.777 173 HG1 THR 24 HG1 THR 24 -3.012 1.603 -11.889 174 1HG2 THR 24 HG21 THR 24 -3.132 3.514 -13.359 175 2HG2 THR 24 HG22 THR 24 -2.658 4.920 -12.404 176 3HG2 THR 24 HG23 THR 24 -4.354 4.659 -12.807 177 H LEU 25 HN LEU 25 -0.514 5.106 -10.040 178 HA LEU 25 HA LEU 25 -1.717 6.727 -7.994 179 1HB LEU 25 HB2 LEU 25 0.881 6.410 -9.319 180 2HB LEU 25 HB1 LEU 25 0.514 8.030 -8.797 181 HG LEU 25 HG LEU 25 0.277 5.726 -6.900 182 1HD1 LEU 25 HD11 LEU 25 2.767 7.292 -7.551 183 2HD1 LEU 25 HD12 LEU 25 2.505 5.574 -7.847 184 3HD1 LEU 25 HD13 LEU 25 2.587 6.183 -6.192 185 1HD2 LEU 25 HD21 LEU 25 -0.301 7.344 -5.500 186 2HD2 LEU 25 HD22 LEU 25 -0.071 8.551 -6.764 187 3HD2 LEU 25 HD23 LEU 25 1.273 8.090 -5.729 188 H THR 26 HN THR 26 -3.582 7.577 -9.165 189 HA THR 26 HA THR 26 -3.268 9.069 -11.566 190 HB THR 26 HB THR 26 -5.495 9.199 -9.529 191 HG1 THR 26 HG1 THR 26 -5.130 7.115 -10.486 192 1HG2 THR 26 HG21 THR 26 -6.801 9.761 -11.693 193 2HG2 THR 26 HG22 THR 26 -5.229 10.299 -12.285 194 3HG2 THR 26 HG23 THR 26 -5.927 11.033 -10.840 195 HA PRO 27 HA PRO 27 -1.714 12.718 -9.396 196 1HB PRO 27 HB2 PRO 27 -0.021 13.474 -11.235 197 2HB PRO 27 HB1 PRO 27 0.225 11.910 -10.447 198 1HG PRO 27 HG2 PRO 27 -1.009 12.485 -13.115 199 2HG PRO 27 HG1 PRO 27 0.208 11.275 -12.699 200 1HD PRO 27 HD2 PRO 27 -2.514 10.794 -12.858 201 2HD PRO 27 HD1 PRO 27 -1.348 9.783 -11.985 202 H ASN 28 HN ASN 28 -3.840 12.386 -11.805 203 HA ASN 28 HA ASN 28 -4.105 14.351 -13.463 204 1HB ASN 28 HB2 ASN 28 -5.836 12.490 -12.393 205 2HB ASN 28 HB1 ASN 28 -6.628 14.024 -12.046 206 1HD2 ASN 28 HD21 ASN 28 -7.893 14.794 -13.568 207 2HD2 ASN 28 HD22 ASN 28 -7.820 14.400 -15.248 208 H GLY 29 HN GLY 29 -2.819 15.844 -12.198 209 1HA GLY 29 HA2 GLY 29 -3.181 18.249 -11.852 210 2HA GLY 29 HA1 GLY 29 -4.543 17.816 -10.834 211 H ASN 30 HN ASN 30 -2.992 15.604 -9.652 212 HA ASN 30 HA ASN 30 -1.390 17.194 -7.771 213 1HB ASN 30 HB2 ASN 30 -2.043 14.504 -6.886 214 2HB ASN 30 HB1 ASN 30 -2.367 16.047 -6.106 215 1HD2 ASN 30 HD21 ASN 30 -3.545 13.864 -8.622 216 2HD2 ASN 30 HD22 ASN 30 -5.209 14.301 -8.467 217 H THR 31 HN THR 31 0.445 15.998 -6.750 218 HA THR 31 HA THR 31 1.721 14.167 -8.664 219 HB THR 31 HB THR 31 2.851 16.275 -8.866 220 HG1 THR 31 HG1 THR 31 4.351 14.565 -7.173 221 1HG2 THR 31 HG21 THR 31 2.088 17.030 -6.497 222 2HG2 THR 31 HG22 THR 31 3.602 17.628 -7.177 223 3HG2 THR 31 HG23 THR 31 3.622 16.323 -5.992 224 H PHE 32 HN PHE 32 3.270 12.699 -7.745 225 HA PHE 32 HA PHE 32 2.664 12.064 -4.934 226 1HB PHE 32 HB2 PHE 32 1.831 10.373 -6.478 227 2HB PHE 32 HB1 PHE 32 3.430 10.209 -7.194 228 HD1 PHE 32 HD1 PHE 32 4.221 8.115 -6.706 229 HD2 PHE 32 HD2 PHE 32 2.313 10.370 -3.648 230 HE1 PHE 32 HE1 PHE 32 4.764 6.354 -5.077 231 HE2 PHE 32 HE2 PHE 32 2.863 8.619 -2.018 232 HZ PHE 32 HZ PHE 32 4.080 6.611 -2.728 233 H ASN 33 HN ASN 33 4.340 11.331 -3.584 234 HA ASN 33 HA ASN 33 7.040 12.019 -4.536 235 1HB ASN 33 HB2 ASN 33 5.682 13.119 -2.422 236 2HB ASN 33 HB1 ASN 33 6.643 11.874 -1.629 237 1HD2 ASN 33 HD21 ASN 33 6.625 15.011 -2.410 238 2HD2 ASN 33 HD22 ASN 33 8.321 15.313 -2.533 239 H GLY 34 HN GLY 34 5.183 9.747 -2.555 240 1HA GLY 34 HA2 GLY 34 6.222 7.394 -3.269 241 2HA GLY 34 HA1 GLY 34 7.499 8.012 -2.231 242 H ILE 35 HN ILE 35 6.604 5.770 -1.322 243 HA ILE 35 HA ILE 35 4.611 6.443 0.743 244 HB ILE 35 HB ILE 35 5.259 3.636 -0.058 245 1HG1 ILE 35 HG12 ILE 35 3.017 5.287 -1.233 246 2HG1 ILE 35 HG11 ILE 35 4.511 4.906 -2.080 247 1HG2 ILE 35 HG21 ILE 35 4.072 4.100 2.061 248 2HG2 ILE 35 HG22 ILE 35 3.141 3.111 0.934 249 3HG2 ILE 35 HG23 ILE 35 2.763 4.823 1.126 250 1HD1 ILE 35 HD11 ILE 35 3.142 3.283 -2.896 251 2HD1 ILE 35 HD12 ILE 35 2.219 3.153 -1.399 252 3HD1 ILE 35 HD13 ILE 35 3.829 2.441 -1.508 253 H SER 36 HN SER 36 6.197 7.211 2.139 254 HA SER 36 HA SER 36 8.561 5.827 2.839 255 1HB SER 36 HB2 SER 36 6.958 7.918 4.328 256 2HB SER 36 HB1 SER 36 8.503 7.295 4.905 257 HG SER 36 HG SER 36 8.105 9.240 3.186 258 H GLU 37 HN GLU 37 5.268 5.527 3.936 259 HA GLU 37 HA GLU 37 5.632 4.204 6.339 260 1HB GLU 37 HB2 GLU 37 3.491 4.859 4.859 261 2HB GLU 37 HB1 GLU 37 3.578 3.150 4.476 262 1HG GLU 37 HG2 GLU 37 3.090 2.503 6.628 263 2HG GLU 37 HG1 GLU 37 3.688 4.010 7.323 264 H LEU 38 HN LEU 38 6.221 3.240 3.078 265 HA LEU 38 HA LEU 38 7.468 0.783 4.002 266 1HB LEU 38 HB2 LEU 38 6.444 -0.029 1.607 267 2HB LEU 38 HB1 LEU 38 5.799 -0.453 3.175 268 HG LEU 38 HG LEU 38 4.769 2.076 2.127 269 1HD1 LEU 38 HD11 LEU 38 5.061 0.039 0.262 270 2HD1 LEU 38 HD12 LEU 38 4.001 1.442 0.142 271 3HD1 LEU 38 HD13 LEU 38 3.384 -0.070 0.794 272 1HD2 LEU 38 HD21 LEU 38 3.766 -0.363 3.504 273 2HD2 LEU 38 HD22 LEU 38 2.619 0.680 2.674 274 3HD2 LEU 38 HD23 LEU 38 3.625 1.325 3.970 275 H GLN 39 HN GLN 39 9.407 1.850 3.625 276 HA GLN 39 HA GLN 39 10.422 3.386 1.812 277 1HB GLN 39 HB2 GLN 39 11.799 0.817 2.595 278 2HB GLN 39 HB1 GLN 39 12.577 2.288 2.027 279 1HG GLN 39 HG2 GLN 39 11.081 1.918 4.613 280 2HG GLN 39 HG1 GLN 39 12.823 2.114 4.409 281 1HE2 GLN 39 HE21 GLN 39 9.714 3.711 4.113 282 2HE2 GLN 39 HE22 GLN 39 10.320 5.325 4.236 283 H SER 40 HN SER 40 9.432 3.343 0.037 284 HA SER 40 HA SER 40 8.478 2.355 -1.941 285 1HB SER 40 HB2 SER 40 9.988 3.166 -3.643 286 2HB SER 40 HB1 SER 40 10.018 4.273 -2.273 287 HG SER 40 HG SER 40 12.120 3.751 -3.071 288 H SER 41 HN SER 41 11.624 1.004 -1.137 289 HA SER 41 HA SER 41 11.851 -0.908 -3.105 290 1HB SER 41 HB2 SER 41 13.107 -0.387 -0.631 291 2HB SER 41 HB1 SER 41 12.620 -2.083 -0.589 292 HG SER 41 HG SER 41 14.666 -1.876 -1.529 293 H GLN 42 HN GLN 42 9.615 -0.773 -0.476 294 HA GLN 42 HA GLN 42 8.870 -3.431 -0.215 295 1HB GLN 42 HB2 GLN 42 7.183 -0.941 0.000 296 2HB GLN 42 HB1 GLN 42 6.851 -2.480 0.742 297 1HG GLN 42 HG2 GLN 42 8.815 -0.418 1.498 298 2HG GLN 42 HG1 GLN 42 7.739 -1.368 2.497 299 1HE2 GLN 42 HE21 GLN 42 10.693 -0.807 2.537 300 2HE2 GLN 42 HE22 GLN 42 11.424 -2.365 2.673 301 H TYR 43 HN TYR 43 8.040 -1.011 -2.531 302 HA TYR 43 HA TYR 43 6.555 -2.978 -4.131 303 1HB TYR 43 HB2 TYR 43 5.052 -1.082 -4.838 304 2HB TYR 43 HB1 TYR 43 4.855 -1.605 -3.169 305 HD1 TYR 43 HD1 TYR 43 5.571 1.144 -5.344 306 HD2 TYR 43 HD2 TYR 43 5.985 -0.246 -1.349 307 HE1 TYR 43 HE1 TYR 43 5.959 3.449 -4.585 308 HE2 TYR 43 HE2 TYR 43 6.372 2.050 -0.579 309 HH TYR 43 HH TYR 43 6.820 4.679 -2.825 310 H THR 44 HN THR 44 6.038 -1.558 -6.294 311 HA THR 44 HA THR 44 8.659 -0.724 -7.305 312 HB THR 44 HB THR 44 6.668 -1.698 -9.249 313 HG1 THR 44 HG1 THR 44 8.002 -3.581 -7.617 314 1HG2 THR 44 HG21 THR 44 9.379 -2.854 -9.016 315 2HG2 THR 44 HG22 THR 44 9.249 -1.160 -9.486 316 3HG2 THR 44 HG23 THR 44 8.452 -2.404 -10.448 317 H LYS 45 HN LYS 45 8.103 1.392 -6.692 318 HA LYS 45 HA LYS 45 5.810 2.744 -7.660 319 1HB LYS 45 HB2 LYS 45 7.861 4.649 -7.219 320 2HB LYS 45 HB1 LYS 45 6.491 4.273 -6.194 321 1HG LYS 45 HG2 LYS 45 8.367 4.071 -4.817 322 2HG LYS 45 HG1 LYS 45 7.922 2.414 -5.216 323 1HD LYS 45 HD2 LYS 45 10.144 2.265 -5.654 324 2HD LYS 45 HD1 LYS 45 9.625 2.889 -7.221 325 1HE LYS 45 HE2 LYS 45 9.967 5.183 -5.786 326 2HE LYS 45 HE1 LYS 45 11.236 4.151 -5.127 327 1HZ LYS 45 HZ1 LYS 45 10.968 5.295 -7.787 328 2HZ LYS 45 HZ2 LYS 45 11.571 3.715 -7.719 329 3HZ LYS 45 HZ3 LYS 45 12.362 4.955 -6.887 330 H GLY 46 HN GLY 46 5.538 4.123 -9.358 331 1HA GLY 46 HA2 GLY 46 7.712 4.693 -11.177 332 2HA GLY 46 HA1 GLY 46 6.493 3.597 -11.814 333 H THR 47 HN THR 47 7.023 6.821 -10.491 334 HA THR 47 HA THR 47 5.281 8.502 -10.357 335 HB THR 47 HB THR 47 6.561 8.416 -13.095 336 HG1 THR 47 HG1 THR 47 8.249 9.100 -12.087 337 1HG2 THR 47 HG21 THR 47 6.180 10.771 -13.269 338 2HG2 THR 47 HG22 THR 47 5.389 10.804 -11.693 339 3HG2 THR 47 HG23 THR 47 4.632 9.957 -13.040 340 H ASN 48 HN ASN 48 3.186 7.933 -10.222 341 HA ASN 48 HA ASN 48 1.027 8.053 -11.046 342 1HB ASN 48 HB2 ASN 48 2.033 7.244 -13.773 343 2HB ASN 48 HB1 ASN 48 0.489 7.981 -13.361 344 1HD2 ASN 48 HD21 ASN 48 2.131 9.003 -15.325 345 2HD2 ASN 48 HD22 ASN 48 2.736 10.539 -14.816 346 H GLU 49 HN GLU 49 3.183 5.548 -10.889 347 HA GLU 49 HA GLU 49 0.994 3.621 -10.801 348 1HB GLU 49 HB2 GLU 49 3.486 3.272 -12.451 349 2HB GLU 49 HB1 GLU 49 2.430 1.944 -12.008 350 1HG GLU 49 HG2 GLU 49 0.759 3.899 -13.103 351 2HG GLU 49 HG1 GLU 49 2.179 3.842 -14.144 352 H VAL 50 HN VAL 50 1.438 1.733 -9.581 353 HA VAL 50 HA VAL 50 3.938 1.591 -8.091 354 HB VAL 50 HB VAL 50 1.952 1.187 -6.129 355 1HG1 VAL 50 HG11 VAL 50 3.442 2.301 -4.897 356 2HG1 VAL 50 HG12 VAL 50 3.386 3.714 -5.950 357 3HG1 VAL 50 HG13 VAL 50 4.430 2.351 -6.356 358 1HG2 VAL 50 HG21 VAL 50 1.650 3.974 -7.164 359 2HG2 VAL 50 HG22 VAL 50 0.615 3.074 -6.058 360 3HG2 VAL 50 HG23 VAL 50 0.623 2.682 -7.778 361 H THR 51 HN THR 51 4.533 -0.501 -7.829 362 HA THR 51 HA THR 51 2.400 -2.529 -8.073 363 HB THR 51 HB THR 51 5.252 -2.853 -8.996 364 HG1 THR 51 HG1 THR 51 4.675 -1.794 -10.692 365 1HG2 THR 51 HG21 THR 51 3.952 -4.931 -8.492 366 2HG2 THR 51 HG22 THR 51 4.534 -4.784 -10.148 367 3HG2 THR 51 HG23 THR 51 2.841 -4.460 -9.777 368 H LEU 52 HN LEU 52 2.075 -3.458 -6.163 369 HA LEU 52 HA LEU 52 3.987 -3.565 -4.064 370 1HB LEU 52 HB2 LEU 52 1.353 -4.953 -4.547 371 2HB LEU 52 HB1 LEU 52 2.299 -5.215 -3.098 372 HG LEU 52 HG LEU 52 2.165 -2.725 -2.721 373 1HD1 LEU 52 HD11 LEU 52 1.527 -1.788 -4.734 374 2HD1 LEU 52 HD12 LEU 52 0.026 -1.771 -3.810 375 3HD1 LEU 52 HD13 LEU 52 0.296 -3.017 -5.029 376 1HD2 LEU 52 HD21 LEU 52 0.872 -3.918 -1.249 377 2HD2 LEU 52 HD22 LEU 52 -0.101 -4.636 -2.529 378 3HD2 LEU 52 HD23 LEU 52 -0.353 -2.953 -2.065 379 H LEU 53 HN LEU 53 5.405 -5.173 -3.485 380 HA LEU 53 HA LEU 53 5.488 -7.469 -5.306 381 1HB LEU 53 HB2 LEU 53 7.709 -6.236 -3.673 382 2HB LEU 53 HB1 LEU 53 7.881 -7.667 -4.674 383 HG LEU 53 HG LEU 53 6.919 -5.123 -5.915 384 1HD1 LEU 53 HD11 LEU 53 9.557 -5.583 -4.733 385 2HD1 LEU 53 HD12 LEU 53 8.775 -4.081 -5.221 386 3HD1 LEU 53 HD13 LEU 53 9.592 -5.081 -6.422 387 1HD2 LEU 53 HD21 LEU 53 8.212 -7.663 -6.784 388 2HD2 LEU 53 HD22 LEU 53 8.469 -6.201 -7.736 389 3HD2 LEU 53 HD23 LEU 53 6.832 -6.807 -7.472 390 H ALA 54 HN ALA 54 4.554 -9.169 -4.454 391 HA ALA 54 HA ALA 54 3.769 -9.811 -1.991 392 1HB ALA 54 HB1 ALA 54 3.904 -12.152 -2.582 393 2HB ALA 54 HB2 ALA 54 5.074 -11.788 -3.851 394 3HB ALA 54 HB3 ALA 54 3.417 -11.201 -3.985 395 H SER 55 HN SER 55 7.103 -9.621 -2.889 396 HA SER 55 HA SER 55 8.126 -11.320 -0.846 397 1HB SER 55 HB2 SER 55 10.194 -9.618 -1.376 398 2HB SER 55 HB1 SER 55 9.818 -11.051 -2.332 399 HG SER 55 HG SER 55 10.028 -9.174 -3.628 400 H TYR 56 HN TYR 56 7.750 -7.816 -1.128 401 HA TYR 56 HA TYR 56 8.795 -7.151 1.389 402 1HB TYR 56 HB2 TYR 56 8.677 -5.263 0.181 403 2HB TYR 56 HB1 TYR 56 7.416 -5.890 -0.845 404 HD1 TYR 56 HD1 TYR 56 7.791 -4.691 2.677 405 HD2 TYR 56 HD2 TYR 56 5.422 -4.778 -0.850 406 HE1 TYR 56 HE1 TYR 56 6.153 -3.203 3.743 407 HE2 TYR 56 HE2 TYR 56 3.779 -3.290 0.202 408 HH TYR 56 HH TYR 56 3.080 -2.731 2.597 409 H LEU 57 HN LEU 57 5.496 -7.137 0.196 410 HA LEU 57 HA LEU 57 4.159 -6.757 2.576 411 1HB LEU 57 HB2 LEU 57 3.422 -7.268 -0.020 412 2HB LEU 57 HB1 LEU 57 2.834 -8.689 0.816 413 HG LEU 57 HG LEU 57 1.283 -7.495 2.052 414 1HD1 LEU 57 HD11 LEU 57 3.205 -5.259 1.772 415 2HD1 LEU 57 HD12 LEU 57 2.282 -5.799 3.177 416 3HD1 LEU 57 HD13 LEU 57 1.497 -4.840 1.921 417 1HD2 LEU 57 HD21 LEU 57 1.022 -7.367 -0.527 418 2HD2 LEU 57 HD22 LEU 57 1.349 -5.650 -0.293 419 3HD2 LEU 57 HD23 LEU 57 -0.029 -6.402 0.499 420 H ASN 58 HN ASN 58 5.185 -9.822 1.133 421 HA ASN 58 HA ASN 58 4.138 -11.471 3.180 422 1HB ASN 58 HB2 ASN 58 4.703 -12.402 1.010 423 2HB ASN 58 HB1 ASN 58 6.392 -11.953 1.221 424 1HD2 ASN 58 HD21 ASN 58 7.315 -13.919 1.181 425 2HD2 ASN 58 HD22 ASN 58 6.997 -15.173 2.328 426 H THR 59 HN THR 59 7.074 -9.637 2.854 427 HA THR 59 HA THR 59 8.493 -10.982 4.938 428 HB THR 59 HB THR 59 8.977 -8.357 3.535 429 HG1 THR 59 HG1 THR 59 9.602 -10.959 3.019 430 1HG2 THR 59 HG21 THR 59 10.071 -8.131 5.631 431 2HG2 THR 59 HG22 THR 59 11.292 -8.536 4.427 432 3HG2 THR 59 HG23 THR 59 10.709 -9.773 5.540 433 H LEU 60 HN LEU 60 6.248 -8.346 4.813 434 HA LEU 60 HA LEU 60 6.811 -6.824 6.991 435 1HB LEU 60 HB2 LEU 60 4.269 -7.788 5.795 436 2HB LEU 60 HB1 LEU 60 4.177 -7.005 7.362 437 HG LEU 60 HG LEU 60 3.818 -5.545 5.312 438 1HD1 LEU 60 HD11 LEU 60 4.890 -3.657 6.319 439 2HD1 LEU 60 HD12 LEU 60 6.019 -4.696 7.180 440 3HD1 LEU 60 HD13 LEU 60 4.305 -4.714 7.601 441 1HD2 LEU 60 HD21 LEU 60 5.362 -5.684 3.715 442 2HD2 LEU 60 HD22 LEU 60 6.498 -6.510 4.774 443 3HD2 LEU 60 HD23 LEU 60 6.409 -4.753 4.784 444 HA PRO 61 HA PRO 61 6.989 -9.172 10.703 445 1HB PRO 61 HB2 PRO 61 5.408 -7.546 12.333 446 2HB PRO 61 HB1 PRO 61 7.143 -7.366 12.061 447 1HG PRO 61 HG2 PRO 61 4.864 -5.925 10.791 448 2HG PRO 61 HG1 PRO 61 6.463 -5.316 11.253 449 1HD PRO 61 HD2 PRO 61 5.855 -5.843 8.701 450 2HD PRO 61 HD1 PRO 61 7.475 -6.173 9.346 451 H GLU 62 HN GLU 62 5.189 -9.527 12.691 452 HA GLU 62 HA GLU 62 3.409 -11.409 11.603 453 1HB GLU 62 HB2 GLU 62 2.908 -11.992 13.762 454 2HB GLU 62 HB1 GLU 62 4.465 -11.211 13.992 455 1HG GLU 62 HG2 GLU 62 1.750 -10.021 14.487 456 2HG GLU 62 HG1 GLU 62 2.943 -10.495 15.695 457 H ASN 63 HN ASN 63 1.067 -11.190 12.873 458 HA ASN 63 HA ASN 63 -0.608 -10.011 11.243 459 1HB ASN 63 HB2 ASN 63 -0.749 -10.740 14.076 460 2HB ASN 63 HB1 ASN 63 -1.939 -9.538 13.584 461 1HD2 ASN 63 HD21 ASN 63 -3.635 -10.976 13.879 462 2HD2 ASN 63 HD22 ASN 63 -3.941 -12.275 12.783 463 H THR 64 HN THR 64 0.548 -8.126 10.531 464 HA THR 64 HA THR 64 0.030 -5.776 12.262 465 HB THR 64 HB THR 64 1.903 -4.686 10.931 466 HG1 THR 64 HG1 THR 64 2.687 -7.330 10.356 467 1HG2 THR 64 HG21 THR 64 3.370 -5.186 12.537 468 2HG2 THR 64 HG22 THR 64 3.242 -6.921 12.255 469 3HG2 THR 64 HG23 THR 64 2.037 -6.097 13.241 470 H THR 65 HN THR 65 -0.077 -3.699 10.970 471 HA THR 65 HA THR 65 -1.742 -4.130 8.577 472 HB THR 65 HB THR 65 -2.025 -1.658 10.178 473 HG1 THR 65 HG1 THR 65 -2.861 -4.207 11.033 474 1HG2 THR 65 HG21 THR 65 -4.384 -3.205 9.392 475 2HG2 THR 65 HG22 THR 65 -3.389 -2.613 8.062 476 3HG2 THR 65 HG23 THR 65 -4.048 -1.481 9.241 477 H LYS 66 HN LYS 66 0.338 -3.992 7.456 478 HA LYS 66 HA LYS 66 1.895 -1.626 7.449 479 1HB LYS 66 HB2 LYS 66 2.736 -3.804 6.636 480 2HB LYS 66 HB1 LYS 66 1.638 -3.701 5.265 481 1HG LYS 66 HG2 LYS 66 3.964 -3.056 4.728 482 2HG LYS 66 HG1 LYS 66 2.789 -1.778 4.413 483 1HD LYS 66 HD2 LYS 66 3.447 -0.562 6.324 484 2HD LYS 66 HD1 LYS 66 4.335 -1.934 6.987 485 1HE LYS 66 HE2 LYS 66 5.642 -1.646 4.672 486 2HE LYS 66 HE1 LYS 66 5.125 0.015 4.919 487 1HZ LYS 66 HZ1 LYS 66 6.200 0.036 7.049 488 2HZ LYS 66 HZ2 LYS 66 7.317 -0.466 5.884 489 3HZ LYS 66 HZ3 LYS 66 6.605 -1.598 6.922 490 H THR 67 HN THR 67 0.942 0.272 6.998 491 HA THR 67 HA THR 67 -0.929 0.399 4.760 492 HB THR 67 HB THR 67 -0.246 2.565 6.750 493 HG1 THR 67 HG1 THR 67 -1.602 1.683 8.082 494 1HG2 THR 67 HG21 THR 67 -1.807 2.633 4.416 495 2HG2 THR 67 HG22 THR 67 -1.654 3.869 5.663 496 3HG2 THR 67 HG23 THR 67 -2.921 2.648 5.781 497 H LEU 68 HN LEU 68 -0.524 1.459 2.902 498 HA LEU 68 HA LEU 68 2.149 2.555 2.552 499 1HB LEU 68 HB2 LEU 68 0.961 2.543 0.080 500 2HB LEU 68 HB1 LEU 68 2.028 1.312 0.707 501 HG LEU 68 HG LEU 68 -0.917 1.135 1.154 502 1HD1 LEU 68 HD11 LEU 68 -1.294 0.888 -1.012 503 2HD1 LEU 68 HD12 LEU 68 -0.268 -0.542 -0.972 504 3HD1 LEU 68 HD13 LEU 68 0.421 1.021 -1.376 505 1HD2 LEU 68 HD21 LEU 68 1.437 -0.567 1.505 506 2HD2 LEU 68 HD22 LEU 68 0.037 -1.366 0.794 507 3HD2 LEU 68 HD23 LEU 68 -0.097 -0.568 2.362 508 H THR 69 HN THR 69 1.789 4.579 3.536 509 HA THR 69 HA THR 69 -0.355 6.267 2.667 510 HB THR 69 HB THR 69 2.074 6.745 4.384 511 HG1 THR 69 HG1 THR 69 -0.625 6.953 5.135 512 1HG2 THR 69 HG21 THR 69 1.864 8.917 3.877 513 2HG2 THR 69 HG22 THR 69 0.491 8.834 4.981 514 3HG2 THR 69 HG23 THR 69 0.230 8.721 3.241 515 H PHE 70 HN PHE 70 -0.189 6.597 0.469 516 HA PHE 70 HA PHE 70 2.223 7.331 -0.841 517 1HB PHE 70 HB2 PHE 70 -0.689 7.535 -1.624 518 2HB PHE 70 HB1 PHE 70 0.619 8.005 -2.689 519 HD1 PHE 70 HD1 PHE 70 -0.687 5.119 -0.756 520 HD2 PHE 70 HD2 PHE 70 1.623 6.438 -4.073 521 HE1 PHE 70 HE1 PHE 70 -0.522 2.798 -1.555 522 HE2 PHE 70 HE2 PHE 70 1.793 4.122 -4.881 523 HZ PHE 70 HZ PHE 70 0.715 2.298 -3.626 524 H ASP 71 HN ASP 71 3.197 9.149 -0.020 525 HA ASP 71 HA ASP 71 1.758 11.449 0.788 526 1HB ASP 71 HB2 ASP 71 4.436 12.152 0.115 527 2HB ASP 71 HB1 ASP 71 3.722 11.941 1.703 528 H PHE 72 HN PHE 72 0.506 12.360 -0.694 529 HA PHE 72 HA PHE 72 1.514 12.898 -3.377 530 1HB PHE 72 HB2 PHE 72 -1.097 12.552 -2.156 531 2HB PHE 72 HB1 PHE 72 -1.034 14.015 -3.131 532 HD1 PHE 72 HD1 PHE 72 -0.570 13.884 -5.533 533 HD2 PHE 72 HD2 PHE 72 -1.015 10.387 -3.151 534 HE1 PHE 72 HE1 PHE 72 -0.879 12.540 -7.570 535 HE2 PHE 72 HE2 PHE 72 -1.327 9.038 -5.183 536 HZ PHE 72 HZ PHE 72 -1.254 10.116 -7.394 537 H GLY 73 HN GLY 73 2.477 14.265 -0.905 538 1HA GLY 73 HA2 GLY 73 3.368 16.384 -0.607 539 2HA GLY 73 HA1 GLY 73 2.405 16.938 -1.962 540 H VAL 74 HN VAL 74 0.056 15.550 -0.471 541 HA VAL 74 HA VAL 74 -0.686 17.948 0.992 542 HB VAL 74 HB VAL 74 -2.935 16.967 1.099 543 1HG1 VAL 74 HG11 VAL 74 -2.854 16.547 -1.638 544 2HG1 VAL 74 HG12 VAL 74 -1.491 17.617 -1.314 545 3HG1 VAL 74 HG13 VAL 74 -3.116 18.083 -0.812 546 1HG2 VAL 74 HG21 VAL 74 -3.282 14.883 -0.362 547 2HG2 VAL 74 HG22 VAL 74 -2.640 14.660 1.260 548 3HG2 VAL 74 HG23 VAL 74 -1.558 14.604 -0.127 549 H GLY 75 HN GLY 75 -0.613 14.428 1.610 550 1HA GLY 75 HA2 GLY 75 -0.104 13.306 3.554 551 2HA GLY 75 HA1 GLY 75 0.332 14.832 4.282 552 H THR 76 HN THR 76 -2.004 16.207 4.146 553 HA THR 76 HA THR 76 -3.359 15.641 6.404 554 HB THR 76 HB THR 76 -4.534 16.767 3.861 555 HG1 THR 76 HG1 THR 76 -3.011 18.165 4.396 556 1HG2 THR 76 HG21 THR 76 -6.326 17.607 4.997 557 2HG2 THR 76 HG22 THR 76 -5.507 17.544 6.558 558 3HG2 THR 76 HG23 THR 76 -6.115 16.061 5.822 559 H LYS 77 HN LYS 77 -4.626 14.746 3.203 560 HA LYS 77 HA LYS 77 -5.851 12.403 4.437 561 1HB LYS 77 HB2 LYS 77 -7.658 12.801 2.567 562 2HB LYS 77 HB1 LYS 77 -7.762 13.635 4.110 563 1HG LYS 77 HG2 LYS 77 -6.471 15.526 2.961 564 2HG LYS 77 HG1 LYS 77 -6.892 14.710 1.454 565 1HD LYS 77 HD2 LYS 77 -8.551 16.375 1.857 566 2HD LYS 77 HD1 LYS 77 -9.290 14.804 2.173 567 1HE LYS 77 HE2 LYS 77 -8.021 16.261 4.436 568 2HE LYS 77 HE1 LYS 77 -9.582 16.828 3.843 569 1HZ LYS 77 HZ1 LYS 77 -10.519 15.243 5.048 570 2HZ LYS 77 HZ2 LYS 77 -9.017 14.607 5.493 571 3HZ LYS 77 HZ3 LYS 77 -9.774 14.072 4.079 572 H ASN 78 HN ASN 78 -3.338 12.691 2.975 573 HA ASN 78 HA ASN 78 -3.369 11.962 0.348 574 1HB ASN 78 HB2 ASN 78 -1.241 10.688 1.007 575 2HB ASN 78 HB1 ASN 78 -1.283 12.413 1.307 576 1HD2 ASN 78 HD21 ASN 78 0.548 11.095 2.640 577 2HD2 ASN 78 HD22 ASN 78 0.113 10.874 4.299 578 HA PRO 79 HA PRO 79 -5.401 8.038 0.140 579 1HB PRO 79 HB2 PRO 79 -4.081 7.040 -2.061 580 2HB PRO 79 HB1 PRO 79 -5.443 8.160 -2.130 581 1HG PRO 79 HG2 PRO 79 -2.515 8.719 -2.338 582 2HG PRO 79 HG1 PRO 79 -3.860 9.426 -3.254 583 1HD PRO 79 HD2 PRO 79 -2.680 10.748 -1.234 584 2HD PRO 79 HD1 PRO 79 -4.422 10.884 -1.545 585 H LYS 80 HN LYS 80 -4.526 7.151 2.068 586 HA LYS 80 HA LYS 80 -2.040 5.623 1.794 587 1HB LYS 80 HB2 LYS 80 -2.403 5.284 4.311 588 2HB LYS 80 HB1 LYS 80 -1.973 6.898 3.764 589 1HG LYS 80 HG2 LYS 80 -4.268 7.618 3.944 590 2HG LYS 80 HG1 LYS 80 -4.778 5.981 4.361 591 1HD LYS 80 HD2 LYS 80 -2.771 7.514 5.995 592 2HD LYS 80 HD1 LYS 80 -4.509 7.615 6.288 593 1HE LYS 80 HE2 LYS 80 -3.414 4.891 6.065 594 2HE LYS 80 HE1 LYS 80 -2.865 5.815 7.462 595 1HZ LYS 80 HZ1 LYS 80 -5.020 6.026 8.267 596 2HZ LYS 80 HZ2 LYS 80 -4.972 4.432 7.702 597 3HZ LYS 80 HZ3 LYS 80 -5.733 5.632 6.782 598 H LEU 81 HN LEU 81 -2.052 3.463 1.603 599 HA LEU 81 HA LEU 81 -4.627 2.107 1.817 600 1HB LEU 81 HB2 LEU 81 -2.595 2.021 -0.118 601 2HB LEU 81 HB1 LEU 81 -2.579 0.460 0.671 602 HG LEU 81 HG LEU 81 -4.822 1.738 -0.856 603 1HD1 LEU 81 HD11 LEU 81 -4.638 -0.078 -2.297 604 2HD1 LEU 81 HD12 LEU 81 -3.735 -1.036 -1.123 605 3HD1 LEU 81 HD13 LEU 81 -2.964 0.329 -1.924 606 1HD2 LEU 81 HD21 LEU 81 -5.102 0.179 1.478 607 2HD2 LEU 81 HD22 LEU 81 -5.537 -0.835 0.107 608 3HD2 LEU 81 HD23 LEU 81 -6.356 0.699 0.354 609 H THR 82 HN THR 82 -4.799 1.515 3.945 610 HA THR 82 HA THR 82 -2.599 0.417 5.401 611 HB THR 82 HB THR 82 -4.450 1.653 6.483 612 HG1 THR 82 HG1 THR 82 -4.567 0.278 8.256 613 1HG2 THR 82 HG21 THR 82 -6.292 0.576 5.145 614 2HG2 THR 82 HG22 THR 82 -6.571 0.720 6.880 615 3HG2 THR 82 HG23 THR 82 -6.100 -0.828 6.188 616 H ILE 83 HN ILE 83 -1.775 -1.473 4.849 617 HA ILE 83 HA ILE 83 -3.558 -3.624 3.971 618 HB ILE 83 HB ILE 83 -0.547 -3.420 3.868 619 1HG1 ILE 83 HG12 ILE 83 -2.761 -2.901 1.971 620 2HG1 ILE 83 HG11 ILE 83 -1.163 -2.171 2.064 621 1HG2 ILE 83 HG21 ILE 83 -1.218 -5.722 4.288 622 2HG2 ILE 83 HG22 ILE 83 -0.602 -5.539 2.646 623 3HG2 ILE 83 HG23 ILE 83 -2.339 -5.654 2.928 624 1HD1 ILE 83 HD11 ILE 83 -1.844 -4.854 0.895 625 2HD1 ILE 83 HD12 ILE 83 -0.213 -4.200 1.045 626 3HD1 ILE 83 HD13 ILE 83 -1.391 -3.397 0.008 627 H THR 84 HN THR 84 -4.152 -5.163 5.282 628 HA THR 84 HA THR 84 -2.864 -5.425 7.884 629 HB THR 84 HB THR 84 -5.217 -7.077 7.083 630 HG1 THR 84 HG1 THR 84 -6.495 -5.432 6.885 631 1HG2 THR 84 HG21 THR 84 -5.324 -5.564 9.563 632 2HG2 THR 84 HG22 THR 84 -3.946 -6.661 9.470 633 3HG2 THR 84 HG23 THR 84 -5.586 -7.284 9.265 634 H VAL 85 HN VAL 85 -1.011 -6.601 7.637 635 HA VAL 85 HA VAL 85 -1.032 -8.976 6.001 636 HB VAL 85 HB VAL 85 0.979 -7.835 5.837 637 1HG1 VAL 85 HG11 VAL 85 0.684 -7.423 8.754 638 2HG1 VAL 85 HG12 VAL 85 1.177 -6.293 7.495 639 3HG1 VAL 85 HG13 VAL 85 2.319 -7.493 8.100 640 1HG2 VAL 85 HG21 VAL 85 0.954 -10.418 6.807 641 2HG2 VAL 85 HG22 VAL 85 2.177 -9.609 7.786 642 3HG2 VAL 85 HG23 VAL 85 2.311 -9.603 6.028 643 H LEU 86 HN LEU 86 -1.777 -10.763 6.687 644 HA LEU 86 HA LEU 86 -1.823 -11.375 9.552 645 1HB LEU 86 HB2 LEU 86 -3.458 -12.403 7.242 646 2HB LEU 86 HB1 LEU 86 -3.497 -13.141 8.832 647 HG LEU 86 HG LEU 86 -4.012 -10.224 8.716 648 1HD1 LEU 86 HD11 LEU 86 -6.443 -11.742 8.272 649 2HD1 LEU 86 HD12 LEU 86 -5.334 -11.835 6.902 650 3HD1 LEU 86 HD13 LEU 86 -5.874 -10.265 7.496 651 1HD2 LEU 86 HD21 LEU 86 -4.020 -11.464 10.825 652 2HD2 LEU 86 HD22 LEU 86 -5.293 -12.513 10.204 653 3HD2 LEU 86 HD23 LEU 86 -5.611 -10.797 10.461 654 HA PRO 87 HA PRO 87 1.474 -14.137 7.769 655 1HB PRO 87 HB2 PRO 87 3.175 -13.739 9.885 656 2HB PRO 87 HB1 PRO 87 3.164 -12.737 8.440 657 1HG PRO 87 HG2 PRO 87 1.926 -12.242 11.104 658 2HG PRO 87 HG1 PRO 87 2.783 -11.120 10.034 659 1HD PRO 87 HD2 PRO 87 0.099 -11.182 10.229 660 2HD PRO 87 HD1 PRO 87 0.941 -10.761 8.729 661 H LYS 88 HN LYS 88 2.916 -15.475 9.812 662 HA LYS 88 HA LYS 88 1.134 -17.537 10.451 663 1HB LYS 88 HB2 LYS 88 3.731 -17.193 11.883 664 2HB LYS 88 HB1 LYS 88 2.989 -18.640 11.237 665 1HG LYS 88 HG2 LYS 88 4.332 -18.499 9.491 666 2HG LYS 88 HG1 LYS 88 3.481 -17.028 9.014 667 1HD LYS 88 HD2 LYS 88 5.280 -16.319 11.077 668 2HD LYS 88 HD1 LYS 88 6.169 -17.333 9.938 669 1HE LYS 88 HE2 LYS 88 5.026 -15.810 8.146 670 2HE LYS 88 HE1 LYS 88 4.838 -14.694 9.497 671 1HZ LYS 88 HZ1 LYS 88 6.923 -14.066 9.188 672 2HZ LYS 88 HZ2 LYS 88 7.131 -15.200 7.951 673 3HZ LYS 88 HZ3 LYS 88 7.458 -15.630 9.552 674 H ASP 89 HN ASP 89 -0.069 -17.928 12.208 675 HA ASP 89 HA ASP 89 0.248 -16.131 14.521 676 1HB ASP 89 HB2 ASP 89 -1.931 -16.232 12.863 677 2HB ASP 89 HB1 ASP 89 -2.412 -17.309 14.166 678 H ILE 90 HN ILE 90 -0.070 -17.002 16.581 679 HA ILE 90 HA ILE 90 0.510 -19.805 16.749 680 HB ILE 90 HB ILE 90 1.685 -18.108 18.148 681 1HG1 ILE 90 HG12 ILE 90 1.458 -20.625 18.647 682 2HG1 ILE 90 HG11 ILE 90 1.990 -19.575 19.955 683 1HG2 ILE 90 HG21 ILE 90 -1.019 -17.956 19.434 684 2HG2 ILE 90 HG22 ILE 90 -0.020 -16.644 18.818 685 3HG2 ILE 90 HG23 ILE 90 0.449 -17.500 20.288 686 1HD1 ILE 90 HD11 ILE 90 -0.847 -19.756 20.017 687 2HD1 ILE 90 HD12 ILE 90 0.324 -20.278 21.222 688 3HD1 ILE 90 HD13 ILE 90 -0.161 -21.377 19.932 689 HA PRO 91 HA PRO 91 -3.780 -19.769 18.834 690 1HB PRO 91 HB2 PRO 91 -5.463 -17.801 18.140 691 2HB PRO 91 HB1 PRO 91 -4.243 -17.579 19.401 692 1HG PRO 91 HG2 PRO 91 -4.274 -16.590 16.598 693 2HG PRO 91 HG1 PRO 91 -3.579 -15.846 18.044 694 1HD PRO 91 HD2 PRO 91 -2.185 -17.315 16.081 695 2HD PRO 91 HD1 PRO 91 -1.560 -16.824 17.658 696 H GLY 92 HN GLY 92 -5.151 -21.244 18.034 697 1HA GLY 92 HA2 GLY 92 -6.823 -22.029 16.562 698 2HA GLY 92 HA1 GLY 92 -6.264 -20.885 15.352 699 H LEU 93 HN LEU 93 -4.138 -23.033 17.129 700 HA LEU 93 HA LEU 93 -3.981 -24.912 14.921 701 1HB LEU 93 HB2 LEU 93 -1.869 -22.907 15.544 702 2HB LEU 93 HB1 LEU 93 -1.357 -24.524 15.099 703 HG LEU 93 HG LEU 93 -3.352 -23.286 13.306 704 1HD1 LEU 93 HD11 LEU 93 -1.840 -21.394 13.921 705 2HD1 LEU 93 HD12 LEU 93 -1.815 -21.831 12.212 706 3HD1 LEU 93 HD13 LEU 93 -0.497 -22.333 13.271 707 1HD2 LEU 93 HD21 LEU 93 -0.778 -24.808 12.907 708 2HD2 LEU 93 HD22 LEU 93 -1.862 -24.291 11.613 709 3HD2 LEU 93 HD23 LEU 93 -2.416 -25.458 12.816 710 H GLU 94 HN GLU 94 -3.908 -26.858 15.808 711 HA GLU 94 HA GLU 94 -3.387 -28.595 17.184 712 1HB GLU 94 HB2 GLU 94 -1.125 -26.808 17.410 713 2HB GLU 94 HB1 GLU 94 -1.417 -27.638 18.933 714 1HG GLU 94 HG2 GLU 94 -1.148 -29.759 17.945 715 2HG GLU 94 HG1 GLU 94 -1.237 -29.094 16.315 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -2.026 21.725 -2.226 2 2H MET 1 HT2 MET 1 -2.869 22.765 -1.154 3 3H MET 1 HT3 MET 1 -2.263 23.372 -2.639 4 HA MET 1 HA MET 1 -4.575 21.696 -2.098 5 1HB MET 1 HB2 MET 1 -4.513 24.231 -2.501 6 2HB MET 1 HB1 MET 1 -4.129 23.838 -4.171 7 1HG MET 1 HG2 MET 1 -6.457 22.430 -3.085 8 2HG MET 1 HG1 MET 1 -6.629 24.181 -3.195 9 1HE MET 1 HE1 MET 1 -6.735 25.450 -5.976 10 2HE MET 1 HE2 MET 1 -7.865 24.969 -4.712 11 3HE MET 1 HE3 MET 1 -8.144 24.467 -6.380 12 H GLN 2 HN GLN 2 -4.549 19.746 -3.021 13 HA GLN 2 HA GLN 2 -3.875 19.562 -5.859 14 1HB GLN 2 HB2 GLN 2 -2.933 17.333 -4.123 15 2HB GLN 2 HB1 GLN 2 -2.299 17.897 -5.661 16 1HG GLN 2 HG2 GLN 2 -1.431 19.913 -4.473 17 2HG GLN 2 HG1 GLN 2 -1.909 19.149 -2.957 18 1HE2 GLN 2 HE21 GLN 2 0.732 19.921 -3.909 19 2HE2 GLN 2 HE22 GLN 2 1.686 18.479 -3.889 20 H ASP 3 HN ASP 3 -4.752 17.656 -6.899 21 HA ASP 3 HA ASP 3 -6.888 16.322 -5.388 22 1HB ASP 3 HB2 ASP 3 -8.280 16.506 -7.537 23 2HB ASP 3 HB1 ASP 3 -8.118 17.958 -6.553 24 HA PRO 4 HA PRO 4 -4.575 13.219 -7.869 25 1HB PRO 4 HB2 PRO 4 -3.569 11.755 -5.874 26 2HB PRO 4 HB1 PRO 4 -2.831 13.289 -6.342 27 1HG PRO 4 HG2 PRO 4 -4.528 12.648 -3.991 28 2HG PRO 4 HG1 PRO 4 -3.206 13.817 -4.139 29 1HD PRO 4 HD2 PRO 4 -5.981 14.357 -4.283 30 2HD PRO 4 HD1 PRO 4 -4.657 15.478 -4.659 31 H THR 5 HN THR 5 -5.199 11.114 -8.378 32 HA THR 5 HA THR 5 -7.600 10.194 -6.955 33 HB THR 5 HB THR 5 -6.823 10.186 -9.788 34 HG1 THR 5 HG1 THR 5 -8.720 11.156 -8.578 35 1HG2 THR 5 HG21 THR 5 -8.336 7.817 -8.727 36 2HG2 THR 5 HG22 THR 5 -6.690 7.766 -9.359 37 3HG2 THR 5 HG23 THR 5 -8.030 8.209 -10.419 38 H ILE 6 HN ILE 6 -7.788 8.071 -6.260 39 HA ILE 6 HA ILE 6 -5.457 6.326 -6.536 40 HB ILE 6 HB ILE 6 -4.997 7.572 -4.516 41 1HG1 ILE 6 HG12 ILE 6 -5.048 5.659 -2.849 42 2HG1 ILE 6 HG11 ILE 6 -5.934 4.737 -4.056 43 1HG2 ILE 6 HG21 ILE 6 -7.856 7.130 -4.059 44 2HG2 ILE 6 HG22 ILE 6 -6.805 8.434 -3.503 45 3HG2 ILE 6 HG23 ILE 6 -6.846 6.902 -2.631 46 1HD1 ILE 6 HD11 ILE 6 -3.707 4.075 -4.280 47 2HD1 ILE 6 HD12 ILE 6 -3.114 5.732 -4.170 48 3HD1 ILE 6 HD13 ILE 6 -3.981 5.199 -5.610 49 H ASN 7 HN ASN 7 -5.877 4.151 -6.244 50 HA ASN 7 HA ASN 7 -8.550 3.353 -6.693 51 1HB ASN 7 HB2 ASN 7 -7.524 1.005 -6.444 52 2HB ASN 7 HB1 ASN 7 -7.062 2.008 -7.801 53 1HD2 ASN 7 HD21 ASN 7 -5.791 2.962 -4.757 54 2HD2 ASN 7 HD22 ASN 7 -4.199 2.350 -4.988 55 HA PRO 8 HA PRO 8 -9.591 2.017 -2.704 56 1HB PRO 8 HB2 PRO 8 -8.835 -0.282 -1.737 57 2HB PRO 8 HB1 PRO 8 -9.660 -0.224 -3.275 58 1HG PRO 8 HG2 PRO 8 -6.785 -0.679 -2.673 59 2HG PRO 8 HG1 PRO 8 -7.774 -1.322 -3.998 60 1HD PRO 8 HD2 PRO 8 -6.042 0.928 -4.069 61 2HD PRO 8 HD1 PRO 8 -7.142 0.365 -5.335 62 H THR 9 HN THR 9 -8.954 0.987 -0.295 63 HA THR 9 HA THR 9 -6.422 2.050 0.621 64 HB THR 9 HB THR 9 -9.070 3.249 1.423 65 HG1 THR 9 HG1 THR 9 -6.726 4.510 0.464 66 1HG2 THR 9 HG21 THR 9 -6.530 3.189 2.891 67 2HG2 THR 9 HG22 THR 9 -8.175 3.467 3.465 68 3HG2 THR 9 HG23 THR 9 -7.270 4.777 2.707 69 H SER 10 HN SER 10 -8.366 -0.441 0.658 70 HA SER 10 HA SER 10 -7.560 -1.208 3.342 71 1HB SER 10 HB2 SER 10 -10.461 -1.573 2.661 72 2HB SER 10 HB1 SER 10 -9.676 -1.625 4.241 73 HG SER 10 HG SER 10 -10.917 0.386 3.303 74 H ILE 11 HN ILE 11 -6.878 -3.211 3.395 75 HA ILE 11 HA ILE 11 -8.172 -5.320 1.903 76 HB ILE 11 HB ILE 11 -6.499 -4.330 0.283 77 1HG1 ILE 11 HG12 ILE 11 -5.658 -7.130 0.837 78 2HG1 ILE 11 HG11 ILE 11 -7.370 -6.836 0.552 79 1HG2 ILE 11 HG21 ILE 11 -4.802 -4.348 2.416 80 2HG2 ILE 11 HG22 ILE 11 -4.317 -4.185 0.730 81 3HG2 ILE 11 HG23 ILE 11 -4.278 -5.764 1.511 82 1HD1 ILE 11 HD11 ILE 11 -7.034 -6.733 -1.625 83 2HD1 ILE 11 HD12 ILE 11 -5.354 -7.194 -1.340 84 3HD1 ILE 11 HD13 ILE 11 -5.800 -5.488 -1.425 85 H SER 12 HN SER 12 -7.338 -7.471 2.488 86 HA SER 12 HA SER 12 -5.570 -7.558 4.801 87 1HB SER 12 HB2 SER 12 -7.788 -9.228 5.450 88 2HB SER 12 HB1 SER 12 -7.146 -7.857 6.344 89 HG SER 12 HG SER 12 -9.247 -7.950 4.493 90 H ALA 13 HN ALA 13 -4.392 -9.341 4.913 91 HA ALA 13 HA ALA 13 -5.160 -11.889 3.993 92 1HB ALA 13 HB1 ALA 13 -2.987 -11.470 2.257 93 2HB ALA 13 HB2 ALA 13 -4.113 -10.140 1.987 94 3HB ALA 13 HB3 ALA 13 -4.665 -11.809 1.832 95 H LYS 14 HN LYS 14 -3.223 -13.374 3.934 96 HA LYS 14 HA LYS 14 -1.726 -13.018 6.337 97 1HB LYS 14 HB2 LYS 14 -2.440 -15.185 4.766 98 2HB LYS 14 HB1 LYS 14 -0.704 -15.063 4.512 99 1HG LYS 14 HG2 LYS 14 -0.738 -14.841 7.164 100 2HG LYS 14 HG1 LYS 14 -2.224 -15.769 6.947 101 1HD LYS 14 HD2 LYS 14 -0.292 -17.233 7.293 102 2HD LYS 14 HD1 LYS 14 -0.997 -17.461 5.690 103 1HE LYS 14 HE2 LYS 14 1.150 -15.451 5.885 104 2HE LYS 14 HE1 LYS 14 1.636 -17.127 6.141 105 1HZ LYS 14 HZ1 LYS 14 0.999 -15.808 3.719 106 2HZ LYS 14 HZ2 LYS 14 -0.025 -17.135 3.934 107 3HZ LYS 14 HZ3 LYS 14 1.650 -17.353 3.951 108 H ALA 15 HN ALA 15 0.449 -12.492 6.596 109 HA ALA 15 HA ALA 15 1.562 -10.804 4.665 110 1HB ALA 15 HB1 ALA 15 2.137 -10.728 7.093 111 2HB ALA 15 HB2 ALA 15 3.545 -10.699 6.027 112 3HB ALA 15 HB3 ALA 15 3.097 -12.190 6.863 113 H GLY 16 HN GLY 16 1.912 -11.493 2.747 114 1HA GLY 16 HA2 GLY 16 3.853 -12.465 1.491 115 2HA GLY 16 HA1 GLY 16 3.502 -13.941 2.380 116 H SER 17 HN SER 17 0.601 -13.563 2.263 117 HA SER 17 HA SER 17 0.140 -14.874 -0.205 118 1HB SER 17 HB2 SER 17 -2.281 -13.874 0.819 119 2HB SER 17 HB1 SER 17 -1.632 -15.496 0.996 120 HG SER 17 HG SER 17 -1.487 -13.318 2.752 121 H PHE 18 HN PHE 18 1.000 -11.836 0.218 122 HA PHE 18 HA PHE 18 -0.920 -10.615 -1.570 123 1HB PHE 18 HB2 PHE 18 1.385 -9.504 0.002 124 2HB PHE 18 HB1 PHE 18 0.320 -8.567 -1.003 125 HD1 PHE 18 HD1 PHE 18 0.301 -10.833 1.916 126 HD2 PHE 18 HD2 PHE 18 -1.604 -7.617 -0.110 127 HE1 PHE 18 HE1 PHE 18 -1.209 -10.532 3.827 128 HE2 PHE 18 HE2 PHE 18 -3.127 -7.313 1.793 129 HZ PHE 18 HZ PHE 18 -2.927 -8.771 3.770 130 H ALA 19 HN ALA 19 -0.284 -11.767 -3.431 131 HA ALA 19 HA ALA 19 2.401 -11.814 -4.354 132 1HB ALA 19 HB1 ALA 19 -0.130 -12.066 -5.976 133 2HB ALA 19 HB2 ALA 19 0.682 -13.394 -5.148 134 3HB ALA 19 HB3 ALA 19 1.482 -12.556 -6.479 135 H ASP 20 HN ASP 20 3.246 -10.641 -6.234 136 HA ASP 20 HA ASP 20 3.427 -7.998 -6.041 137 1HB ASP 20 HB2 ASP 20 4.677 -9.199 -7.730 138 2HB ASP 20 HB1 ASP 20 3.207 -9.511 -8.647 139 H THR 21 HN THR 21 1.902 -6.490 -5.703 140 HA THR 21 HA THR 21 -0.596 -6.712 -7.190 141 HB THR 21 HB THR 21 -0.207 -4.842 -4.888 142 HG1 THR 21 HG1 THR 21 0.557 -6.878 -4.180 143 1HG2 THR 21 HG21 THR 21 -2.576 -5.729 -4.430 144 2HG2 THR 21 HG22 THR 21 -2.510 -6.308 -6.096 145 3HG2 THR 21 HG23 THR 21 -2.334 -4.586 -5.751 146 H LYS 22 HN LYS 22 -1.587 -4.663 -7.742 147 HA LYS 22 HA LYS 22 0.304 -2.603 -8.523 148 1HB LYS 22 HB2 LYS 22 -0.008 -3.913 -10.495 149 2HB LYS 22 HB1 LYS 22 -1.745 -3.902 -10.271 150 1HG LYS 22 HG2 LYS 22 -0.765 -1.214 -10.425 151 2HG LYS 22 HG1 LYS 22 -0.213 -2.152 -11.813 152 1HD LYS 22 HD2 LYS 22 -2.241 -1.464 -12.607 153 2HD LYS 22 HD1 LYS 22 -2.735 -2.958 -11.809 154 1HE LYS 22 HE2 LYS 22 -2.699 -0.524 -10.137 155 2HE LYS 22 HE1 LYS 22 -3.931 -0.586 -11.398 156 1HZ LYS 22 HZ1 LYS 22 -4.946 -2.395 -10.441 157 2HZ LYS 22 HZ2 LYS 22 -4.428 -1.555 -9.066 158 3HZ LYS 22 HZ3 LYS 22 -3.557 -2.896 -9.615 159 H ILE 23 HN ILE 23 -0.466 -0.514 -8.653 160 HA ILE 23 HA ILE 23 -3.238 -0.039 -7.876 161 HB ILE 23 HB ILE 23 -0.829 0.715 -6.360 162 1HG1 ILE 23 HG12 ILE 23 -3.630 -0.150 -5.744 163 2HG1 ILE 23 HG11 ILE 23 -2.117 -0.952 -5.344 164 1HG2 ILE 23 HG21 ILE 23 -2.027 2.624 -5.306 165 2HG2 ILE 23 HG22 ILE 23 -3.249 2.491 -6.569 166 3HG2 ILE 23 HG23 ILE 23 -1.592 2.904 -6.990 167 1HD1 ILE 23 HD11 ILE 23 -2.010 1.514 -4.052 168 2HD1 ILE 23 HD12 ILE 23 -2.272 -0.066 -3.326 169 3HD1 ILE 23 HD13 ILE 23 -3.651 0.916 -3.810 170 H THR 24 HN THR 24 -3.957 2.172 -8.324 171 HA THR 24 HA THR 24 -2.290 3.461 -10.383 172 HB THR 24 HB THR 24 -5.284 3.676 -10.363 173 HG1 THR 24 HG1 THR 24 -5.147 1.538 -10.546 174 1HG2 THR 24 HG21 THR 24 -4.522 5.116 -11.965 175 2HG2 THR 24 HG22 THR 24 -4.726 3.640 -12.910 176 3HG2 THR 24 HG23 THR 24 -3.121 4.117 -12.353 177 H LEU 25 HN LEU 25 -1.488 5.301 -9.619 178 HA LEU 25 HA LEU 25 -3.201 6.931 -7.842 179 1HB LEU 25 HB2 LEU 25 -0.486 6.030 -7.637 180 2HB LEU 25 HB1 LEU 25 -0.522 7.779 -7.683 181 HG LEU 25 HG LEU 25 -2.009 6.024 -5.739 182 1HD1 LEU 25 HD11 LEU 25 -0.170 6.077 -4.515 183 2HD1 LEU 25 HD12 LEU 25 -0.273 7.834 -4.460 184 3HD1 LEU 25 HD13 LEU 25 0.644 7.046 -5.740 185 1HD2 LEU 25 HD21 LEU 25 -2.864 8.433 -6.596 186 2HD2 LEU 25 HD22 LEU 25 -1.797 8.922 -5.279 187 3HD2 LEU 25 HD23 LEU 25 -3.135 7.815 -4.965 188 H THR 26 HN THR 26 -4.200 8.268 -9.329 189 HA THR 26 HA THR 26 -2.874 9.403 -11.563 190 HB THR 26 HB THR 26 -5.294 10.663 -10.363 191 HG1 THR 26 HG1 THR 26 -6.501 8.969 -11.457 192 1HG2 THR 26 HG21 THR 26 -4.015 10.830 -12.844 193 2HG2 THR 26 HG22 THR 26 -5.564 11.531 -12.374 194 3HG2 THR 26 HG23 THR 26 -5.507 9.931 -13.115 195 HA PRO 27 HA PRO 27 -0.936 12.741 -9.245 196 1HB PRO 27 HB2 PRO 27 0.990 13.229 -10.942 197 2HB PRO 27 HB1 PRO 27 0.911 11.636 -10.178 198 1HG PRO 27 HG2 PRO 27 -0.058 12.446 -12.897 199 2HG PRO 27 HG1 PRO 27 0.968 11.077 -12.460 200 1HD PRO 27 HD2 PRO 27 -1.741 10.894 -12.787 201 2HD PRO 27 HD1 PRO 27 -0.794 9.809 -11.753 202 H ASN 28 HN ASN 28 -2.859 12.856 -11.870 203 HA ASN 28 HA ASN 28 -2.605 14.918 -13.417 204 1HB ASN 28 HB2 ASN 28 -4.737 13.329 -12.664 205 2HB ASN 28 HB1 ASN 28 -5.299 14.961 -12.316 206 1HD2 ASN 28 HD21 ASN 28 -3.330 13.464 -14.866 207 2HD2 ASN 28 HD22 ASN 28 -4.241 14.114 -16.183 208 H GLY 29 HN GLY 29 -1.250 16.104 -11.933 209 1HA GLY 29 HA2 GLY 29 -1.313 18.540 -11.481 210 2HA GLY 29 HA1 GLY 29 -2.767 18.230 -10.548 211 H ASN 30 HN ASN 30 -1.673 15.789 -9.425 212 HA ASN 30 HA ASN 30 0.040 16.975 -7.366 213 1HB ASN 30 HB2 ASN 30 -1.027 14.295 -6.868 214 2HB ASN 30 HB1 ASN 30 -1.050 15.723 -5.844 215 1HD2 ASN 30 HD21 ASN 30 -2.590 14.323 -8.709 216 2HD2 ASN 30 HD22 ASN 30 -4.147 15.007 -8.417 217 H THR 31 HN THR 31 1.618 15.417 -6.363 218 HA THR 31 HA THR 31 2.764 13.595 -8.363 219 HB THR 31 HB THR 31 4.106 15.577 -8.501 220 HG1 THR 31 HG1 THR 31 5.351 13.735 -8.503 221 1HG2 THR 31 HG21 THR 31 3.427 16.119 -5.930 222 2HG2 THR 31 HG22 THR 31 4.712 16.923 -6.830 223 3HG2 THR 31 HG23 THR 31 5.097 15.580 -5.753 224 H PHE 32 HN PHE 32 4.170 11.957 -7.473 225 HA PHE 32 HA PHE 32 3.446 11.282 -4.700 226 1HB PHE 32 HB2 PHE 32 2.599 9.712 -6.421 227 2HB PHE 32 HB1 PHE 32 4.253 9.409 -6.936 228 HD1 PHE 32 HD1 PHE 32 4.319 7.087 -6.492 229 HD2 PHE 32 HD2 PHE 32 3.191 9.819 -3.430 230 HE1 PHE 32 HE1 PHE 32 4.517 5.291 -4.826 231 HE2 PHE 32 HE2 PHE 32 3.393 8.025 -1.759 232 HZ PHE 32 HZ PHE 32 4.055 5.763 -2.453 233 H ASN 33 HN ASN 33 5.001 11.052 -3.233 234 HA ASN 33 HA ASN 33 7.784 11.297 -4.126 235 1HB ASN 33 HB2 ASN 33 6.274 12.239 -1.808 236 2HB ASN 33 HB1 ASN 33 7.793 11.471 -1.360 237 1HD2 ASN 33 HD21 ASN 33 6.337 14.032 -3.249 238 2HD2 ASN 33 HD22 ASN 33 7.753 15.015 -3.362 239 H GLY 34 HN GLY 34 5.555 9.166 -2.553 240 1HA GLY 34 HA2 GLY 34 6.281 6.767 -2.827 241 2HA GLY 34 HA1 GLY 34 7.754 7.272 -2.018 242 H ILE 35 HN ILE 35 6.504 5.210 -0.920 243 HA ILE 35 HA ILE 35 4.874 6.267 1.280 244 HB ILE 35 HB ILE 35 5.386 3.352 0.841 245 1HG1 ILE 35 HG12 ILE 35 3.176 4.935 -0.479 246 2HG1 ILE 35 HG11 ILE 35 4.611 4.346 -1.311 247 1HG2 ILE 35 HG21 ILE 35 4.098 3.261 2.647 248 2HG2 ILE 35 HG22 ILE 35 2.764 3.818 1.640 249 3HG2 ILE 35 HG23 ILE 35 3.729 4.982 2.545 250 1HD1 ILE 35 HD11 ILE 35 2.339 2.779 -0.152 251 2HD1 ILE 35 HD12 ILE 35 3.891 2.032 -0.524 252 3HD1 ILE 35 HD13 ILE 35 2.952 2.790 -1.805 253 H SER 36 HN SER 36 6.294 7.080 2.687 254 HA SER 36 HA SER 36 8.852 6.089 3.269 255 1HB SER 36 HB2 SER 36 7.099 8.146 4.319 256 2HB SER 36 HB1 SER 36 7.959 7.328 5.624 257 HG SER 36 HG SER 36 9.863 7.675 4.108 258 H GLU 37 HN GLU 37 5.763 5.449 4.869 259 HA GLU 37 HA GLU 37 6.611 3.964 7.012 260 1HB GLU 37 HB2 GLU 37 4.339 4.137 7.036 261 2HB GLU 37 HB1 GLU 37 4.202 3.984 5.294 262 1HG GLU 37 HG2 GLU 37 5.033 1.471 6.255 263 2HG GLU 37 HG1 GLU 37 3.750 2.033 7.324 264 H LEU 38 HN LEU 38 6.724 3.225 3.632 265 HA LEU 38 HA LEU 38 8.349 0.891 4.194 266 1HB LEU 38 HB2 LEU 38 7.014 0.039 1.975 267 2HB LEU 38 HB1 LEU 38 6.720 -0.505 3.610 268 HG LEU 38 HG LEU 38 5.148 1.791 3.306 269 1HD1 LEU 38 HD11 LEU 38 4.617 -0.050 1.006 270 2HD1 LEU 38 HD12 LEU 38 5.593 1.403 0.832 271 3HD1 LEU 38 HD13 LEU 38 3.910 1.524 1.342 272 1HD2 LEU 38 HD21 LEU 38 3.301 0.110 3.418 273 2HD2 LEU 38 HD22 LEU 38 4.532 -0.065 4.669 274 3HD2 LEU 38 HD23 LEU 38 4.523 -1.147 3.280 275 H GLN 39 HN GLN 39 10.081 2.143 3.545 276 HA GLN 39 HA GLN 39 10.615 3.859 1.686 277 1HB GLN 39 HB2 GLN 39 12.350 2.883 3.091 278 2HB GLN 39 HB1 GLN 39 12.284 1.392 2.163 279 1HG GLN 39 HG2 GLN 39 13.764 2.178 0.727 280 2HG GLN 39 HG1 GLN 39 12.730 3.565 0.378 281 1HE2 GLN 39 HE21 GLN 39 14.769 2.442 3.066 282 2HE2 GLN 39 HE22 GLN 39 15.577 3.950 3.306 283 H SER 40 HN SER 40 9.359 3.829 0.119 284 HA SER 40 HA SER 40 8.132 2.794 -1.707 285 1HB SER 40 HB2 SER 40 10.624 3.889 -2.957 286 2HB SER 40 HB1 SER 40 8.947 4.094 -3.458 287 HG SER 40 HG SER 40 9.643 5.984 -2.484 288 H SER 41 HN SER 41 11.529 1.881 -1.605 289 HA SER 41 HA SER 41 11.700 0.192 -3.759 290 1HB SER 41 HB2 SER 41 13.229 0.660 -1.445 291 2HB SER 41 HB1 SER 41 12.957 -1.076 -1.489 292 HG SER 41 HG SER 41 14.321 0.561 -3.297 293 H GLN 42 HN GLN 42 9.865 -0.257 -0.866 294 HA GLN 42 HA GLN 42 9.538 -3.011 -0.793 295 1HB GLN 42 HB2 GLN 42 8.070 -2.522 0.830 296 2HB GLN 42 HB1 GLN 42 8.626 -0.883 0.623 297 1HG GLN 42 HG2 GLN 42 6.530 -0.303 0.269 298 2HG GLN 42 HG1 GLN 42 6.577 -1.195 -1.233 299 1HE2 GLN 42 HE21 GLN 42 5.746 -3.292 -1.315 300 2HE2 GLN 42 HE22 GLN 42 4.652 -3.880 -0.115 301 H TYR 43 HN TYR 43 8.078 -0.609 -2.778 302 HA TYR 43 HA TYR 43 6.652 -2.673 -4.299 303 1HB TYR 43 HB2 TYR 43 5.012 -0.878 -4.903 304 2HB TYR 43 HB1 TYR 43 5.006 -1.320 -3.200 305 HD1 TYR 43 HD1 TYR 43 5.429 0.293 -1.529 306 HD2 TYR 43 HD2 TYR 43 6.169 1.236 -5.609 307 HE1 TYR 43 HE1 TYR 43 5.744 2.652 -0.920 308 HE2 TYR 43 HE2 TYR 43 6.483 3.599 -5.013 309 HH TYR 43 HH TYR 43 7.055 4.948 -3.082 310 H THR 44 HN THR 44 5.939 -1.391 -6.459 311 HA THR 44 HA THR 44 8.352 -0.270 -7.661 312 HB THR 44 HB THR 44 6.514 -2.328 -8.901 313 HG1 THR 44 HG1 THR 44 9.225 -2.504 -8.094 314 1HG2 THR 44 HG21 THR 44 7.312 -1.818 -10.891 315 2HG2 THR 44 HG22 THR 44 8.964 -2.005 -10.305 316 3HG2 THR 44 HG23 THR 44 8.157 -0.440 -10.183 317 H LYS 45 HN LYS 45 7.530 1.741 -7.513 318 HA LYS 45 HA LYS 45 4.944 2.528 -8.319 319 1HB LYS 45 HB2 LYS 45 6.395 4.813 -8.495 320 2HB LYS 45 HB1 LYS 45 5.698 4.197 -7.010 321 1HG LYS 45 HG2 LYS 45 7.782 3.252 -6.347 322 2HG LYS 45 HG1 LYS 45 8.494 3.569 -7.929 323 1HD LYS 45 HD2 LYS 45 7.432 5.794 -6.217 324 2HD LYS 45 HD1 LYS 45 9.068 5.168 -5.998 325 1HE LYS 45 HE2 LYS 45 9.357 5.559 -8.506 326 2HE LYS 45 HE1 LYS 45 7.884 6.523 -8.402 327 1HZ LYS 45 HZ1 LYS 45 10.552 7.157 -7.539 328 2HZ LYS 45 HZ2 LYS 45 9.380 7.478 -6.364 329 3HZ LYS 45 HZ3 LYS 45 9.256 8.187 -7.894 330 H GLY 46 HN GLY 46 4.610 4.233 -10.008 331 1HA GLY 46 HA2 GLY 46 6.303 4.046 -12.359 332 2HA GLY 46 HA1 GLY 46 4.697 3.353 -12.524 333 H THR 47 HN THR 47 6.316 6.312 -11.448 334 HA THR 47 HA THR 47 5.449 8.455 -11.268 335 HB THR 47 HB THR 47 6.728 8.192 -13.413 336 HG1 THR 47 HG1 THR 47 4.618 10.083 -13.343 337 1HG2 THR 47 HG21 THR 47 4.056 7.476 -14.398 338 2HG2 THR 47 HG22 THR 47 5.653 7.067 -15.025 339 3HG2 THR 47 HG23 THR 47 4.944 8.641 -15.384 340 H ASN 48 HN ASN 48 3.362 6.863 -10.555 341 HA ASN 48 HA ASN 48 1.178 8.323 -10.498 342 1HB ASN 48 HB2 ASN 48 0.564 8.712 -12.655 343 2HB ASN 48 HB1 ASN 48 1.503 7.353 -13.242 344 1HD2 ASN 48 HD21 ASN 48 -1.509 8.191 -11.668 345 2HD2 ASN 48 HD22 ASN 48 -2.395 6.851 -12.286 346 H GLU 49 HN GLU 49 2.205 5.177 -11.471 347 HA GLU 49 HA GLU 49 0.071 3.990 -9.840 348 1HB GLU 49 HB2 GLU 49 1.609 2.985 -12.206 349 2HB GLU 49 HB1 GLU 49 0.799 1.862 -11.125 350 1HG GLU 49 HG2 GLU 49 -1.042 3.904 -11.774 351 2HG GLU 49 HG1 GLU 49 -0.279 3.372 -13.272 352 H VAL 50 HN VAL 50 0.561 2.021 -8.675 353 HA VAL 50 HA VAL 50 3.369 1.743 -7.878 354 HB VAL 50 HB VAL 50 2.751 3.038 -6.098 355 1HG1 VAL 50 HG11 VAL 50 0.630 3.638 -5.838 356 2HG1 VAL 50 HG12 VAL 50 0.293 2.069 -5.104 357 3HG1 VAL 50 HG13 VAL 50 0.111 2.290 -6.844 358 1HG2 VAL 50 HG21 VAL 50 3.312 0.491 -5.537 359 2HG2 VAL 50 HG22 VAL 50 1.725 0.600 -4.776 360 3HG2 VAL 50 HG23 VAL 50 3.015 1.699 -4.288 361 H THR 51 HN THR 51 4.017 -0.280 -7.680 362 HA THR 51 HA THR 51 1.941 -2.373 -7.629 363 HB THR 51 HB THR 51 4.623 -2.339 -9.007 364 HG1 THR 51 HG1 THR 51 1.980 -2.662 -9.977 365 1HG2 THR 51 HG21 THR 51 4.485 -4.553 -9.581 366 2HG2 THR 51 HG22 THR 51 2.757 -4.647 -9.234 367 3HG2 THR 51 HG23 THR 51 3.921 -4.587 -7.910 368 H LEU 52 HN LEU 52 1.876 -3.448 -5.752 369 HA LEU 52 HA LEU 52 3.948 -3.308 -3.817 370 1HB LEU 52 HB2 LEU 52 1.507 -5.070 -4.065 371 2HB LEU 52 HB1 LEU 52 2.575 -5.084 -2.678 372 HG LEU 52 HG LEU 52 2.056 -2.741 -2.261 373 1HD1 LEU 52 HD11 LEU 52 0.318 -3.065 -4.672 374 2HD1 LEU 52 HD12 LEU 52 1.520 -1.821 -4.337 375 3HD1 LEU 52 HD13 LEU 52 -0.001 -1.834 -3.453 376 1HD2 LEU 52 HD21 LEU 52 -0.592 -3.331 -2.029 377 2HD2 LEU 52 HD22 LEU 52 0.655 -3.803 -0.881 378 3HD2 LEU 52 HD23 LEU 52 0.138 -4.929 -2.134 379 H LEU 53 HN LEU 53 5.508 -4.812 -3.250 380 HA LEU 53 HA LEU 53 5.814 -6.990 -5.175 381 1HB LEU 53 HB2 LEU 53 7.850 -5.543 -3.489 382 2HB LEU 53 HB1 LEU 53 8.221 -7.007 -4.377 383 HG LEU 53 HG LEU 53 8.378 -5.924 -6.353 384 1HD1 LEU 53 HD11 LEU 53 6.949 -4.052 -7.051 385 2HD1 LEU 53 HD12 LEU 53 6.177 -4.077 -5.468 386 3HD1 LEU 53 HD13 LEU 53 6.017 -5.462 -6.546 387 1HD2 LEU 53 HD21 LEU 53 8.902 -4.001 -4.198 388 2HD2 LEU 53 HD22 LEU 53 8.700 -3.300 -5.802 389 3HD2 LEU 53 HD23 LEU 53 9.932 -4.530 -5.528 390 H ALA 54 HN ALA 54 4.750 -8.661 -4.330 391 HA ALA 54 HA ALA 54 4.161 -9.459 -1.857 392 1HB ALA 54 HB1 ALA 54 3.763 -11.545 -2.692 393 2HB ALA 54 HB2 ALA 54 5.267 -11.585 -3.616 394 3HB ALA 54 HB3 ALA 54 3.900 -10.629 -4.194 395 H SER 55 HN SER 55 7.400 -9.294 -3.043 396 HA SER 55 HA SER 55 8.553 -11.194 -1.271 397 1HB SER 55 HB2 SER 55 9.598 -10.325 -3.409 398 2HB SER 55 HB1 SER 55 9.971 -8.842 -2.532 399 HG SER 55 HG SER 55 11.287 -10.000 -1.162 400 H TYR 56 HN TYR 56 8.230 -7.672 -1.160 401 HA TYR 56 HA TYR 56 9.573 -7.391 1.335 402 1HB TYR 56 HB2 TYR 56 9.503 -5.507 -0.134 403 2HB TYR 56 HB1 TYR 56 7.753 -5.579 -0.247 404 HD1 TYR 56 HD1 TYR 56 6.394 -5.067 1.831 405 HD2 TYR 56 HD2 TYR 56 10.545 -4.187 1.506 406 HE1 TYR 56 HE1 TYR 56 6.192 -3.456 3.676 407 HE2 TYR 56 HE2 TYR 56 10.350 -2.573 3.353 408 HH TYR 56 HH TYR 56 7.446 -2.294 5.253 409 H LEU 57 HN LEU 57 6.190 -7.021 0.380 410 HA LEU 57 HA LEU 57 5.133 -6.743 2.931 411 1HB LEU 57 HB2 LEU 57 3.946 -6.484 0.679 412 2HB LEU 57 HB1 LEU 57 3.668 -8.218 0.771 413 HG LEU 57 HG LEU 57 2.921 -6.723 3.184 414 1HD1 LEU 57 HD11 LEU 57 0.939 -5.738 2.311 415 2HD1 LEU 57 HD12 LEU 57 1.219 -6.438 0.717 416 3HD1 LEU 57 HD13 LEU 57 2.281 -5.168 1.322 417 1HD2 LEU 57 HD21 LEU 57 2.065 -9.071 1.650 418 2HD2 LEU 57 HD22 LEU 57 0.782 -8.175 2.460 419 3HD2 LEU 57 HD23 LEU 57 2.140 -8.809 3.387 420 H ASN 58 HN ASN 58 6.024 -9.657 1.185 421 HA ASN 58 HA ASN 58 4.763 -11.464 2.949 422 1HB ASN 58 HB2 ASN 58 5.503 -12.235 0.772 423 2HB ASN 58 HB1 ASN 58 7.172 -11.816 1.145 424 1HD2 ASN 58 HD21 ASN 58 7.745 -13.974 0.653 425 2HD2 ASN 58 HD22 ASN 58 7.476 -15.244 1.793 426 H THR 59 HN THR 59 7.660 -9.607 3.113 427 HA THR 59 HA THR 59 8.779 -11.152 5.294 428 HB THR 59 HB THR 59 10.151 -8.697 5.026 429 HG1 THR 59 HG1 THR 59 9.797 -9.894 2.494 430 1HG2 THR 59 HG21 THR 59 11.975 -10.007 4.207 431 2HG2 THR 59 HG22 THR 59 10.895 -11.339 3.803 432 3HG2 THR 59 HG23 THR 59 11.162 -10.904 5.489 433 H LEU 60 HN LEU 60 6.785 -8.380 4.814 434 HA LEU 60 HA LEU 60 7.169 -6.777 6.968 435 1HB LEU 60 HB2 LEU 60 4.710 -7.692 5.575 436 2HB LEU 60 HB1 LEU 60 4.502 -6.838 7.089 437 HG LEU 60 HG LEU 60 5.691 -5.819 4.525 438 1HD1 LEU 60 HD11 LEU 60 3.404 -5.437 4.532 439 2HD1 LEU 60 HD12 LEU 60 4.056 -3.930 5.177 440 3HD1 LEU 60 HD13 LEU 60 3.360 -5.127 6.267 441 1HD2 LEU 60 HD21 LEU 60 6.018 -4.722 7.304 442 2HD2 LEU 60 HD22 LEU 60 6.143 -3.712 5.864 443 3HD2 LEU 60 HD23 LEU 60 7.265 -5.052 6.101 444 HA PRO 61 HA PRO 61 6.737 -8.922 10.772 445 1HB PRO 61 HB2 PRO 61 4.937 -6.768 11.714 446 2HB PRO 61 HB1 PRO 61 6.480 -7.318 12.378 447 1HG PRO 61 HG2 PRO 61 6.295 -5.002 11.067 448 2HG PRO 61 HG1 PRO 61 7.722 -6.043 10.898 449 1HD PRO 61 HD2 PRO 61 5.417 -5.664 9.027 450 2HD PRO 61 HD1 PRO 61 7.146 -5.840 8.665 451 H GLU 62 HN GLU 62 5.044 -9.555 12.469 452 HA GLU 62 HA GLU 62 3.097 -11.166 11.326 453 1HB GLU 62 HB2 GLU 62 3.499 -10.118 14.114 454 2HB GLU 62 HB1 GLU 62 2.188 -11.218 13.726 455 1HG GLU 62 HG2 GLU 62 3.701 -12.749 14.341 456 2HG GLU 62 HG1 GLU 62 4.202 -12.590 12.660 457 H ASN 63 HN ASN 63 0.805 -10.864 12.693 458 HA ASN 63 HA ASN 63 -0.844 -9.527 11.160 459 1HB ASN 63 HB2 ASN 63 -2.206 -9.116 13.411 460 2HB ASN 63 HB1 ASN 63 -2.013 -10.719 12.708 461 1HD2 ASN 63 HD21 ASN 63 0.496 -8.891 14.329 462 2HD2 ASN 63 HD22 ASN 63 0.661 -9.954 15.680 463 H THR 64 HN THR 64 0.568 -7.660 10.573 464 HA THR 64 HA THR 64 0.132 -5.368 12.382 465 HB THR 64 HB THR 64 1.951 -4.369 10.735 466 HG1 THR 64 HG1 THR 64 2.951 -6.961 10.782 467 1HG2 THR 64 HG21 THR 64 2.583 -6.267 12.976 468 2HG2 THR 64 HG22 THR 64 2.379 -4.520 13.080 469 3HG2 THR 64 HG23 THR 64 3.757 -5.198 12.211 470 H THR 65 HN THR 65 -0.444 -3.328 11.443 471 HA THR 65 HA THR 65 -2.246 -3.656 9.202 472 HB THR 65 HB THR 65 -3.214 -2.445 10.903 473 HG1 THR 65 HG1 THR 65 -3.570 -0.439 10.012 474 1HG2 THR 65 HG21 THR 65 -0.649 -0.930 11.155 475 2HG2 THR 65 HG22 THR 65 -1.478 -1.897 12.374 476 3HG2 THR 65 HG23 THR 65 -2.161 -0.357 11.856 477 H LYS 66 HN LYS 66 -0.903 -3.906 7.506 478 HA LYS 66 HA LYS 66 1.225 -2.189 6.819 479 1HB LYS 66 HB2 LYS 66 1.396 -4.222 5.764 480 2HB LYS 66 HB1 LYS 66 -0.325 -4.352 5.489 481 1HG LYS 66 HG2 LYS 66 0.918 -4.148 3.410 482 2HG LYS 66 HG1 LYS 66 -0.169 -2.786 3.639 483 1HD LYS 66 HD2 LYS 66 1.522 -1.303 3.901 484 2HD LYS 66 HD1 LYS 66 2.590 -2.483 4.654 485 1HE LYS 66 HE2 LYS 66 1.867 -2.839 1.790 486 2HE LYS 66 HE1 LYS 66 3.047 -1.599 2.211 487 1HZ LYS 66 HZ1 LYS 66 3.220 -4.493 2.861 488 2HZ LYS 66 HZ2 LYS 66 4.329 -3.323 3.369 489 3HZ LYS 66 HZ3 LYS 66 4.155 -3.662 1.724 490 H THR 67 HN THR 67 0.215 -0.118 7.208 491 HA THR 67 HA THR 67 -1.831 0.730 5.334 492 HB THR 67 HB THR 67 -0.479 2.523 7.298 493 HG1 THR 67 HG1 THR 67 -1.101 1.271 8.845 494 1HG2 THR 67 HG21 THR 67 -3.392 2.361 6.623 495 2HG2 THR 67 HG22 THR 67 -2.255 3.352 5.709 496 3HG2 THR 67 HG23 THR 67 -2.523 3.671 7.424 497 H LEU 68 HN LEU 68 -0.890 0.905 3.359 498 HA LEU 68 HA LEU 68 1.638 2.047 2.864 499 1HB LEU 68 HB2 LEU 68 -0.689 1.152 1.250 500 2HB LEU 68 HB1 LEU 68 0.485 2.187 0.491 501 HG LEU 68 HG LEU 68 2.037 0.229 1.679 502 1HD1 LEU 68 HD11 LEU 68 0.853 -1.800 0.525 503 2HD1 LEU 68 HD12 LEU 68 -0.598 -0.856 0.836 504 3HD1 LEU 68 HD13 LEU 68 0.440 -1.335 2.175 505 1HD2 LEU 68 HD21 LEU 68 1.424 1.224 -0.913 506 2HD2 LEU 68 HD22 LEU 68 1.512 -0.529 -0.986 507 3HD2 LEU 68 HD23 LEU 68 2.877 0.392 -0.361 508 H THR 69 HN THR 69 1.906 4.124 3.536 509 HA THR 69 HA THR 69 -0.187 6.059 2.910 510 HB THR 69 HB THR 69 2.337 6.287 4.558 511 HG1 THR 69 HG1 THR 69 -0.365 5.878 5.131 512 1HG2 THR 69 HG21 THR 69 1.301 8.426 3.364 513 2HG2 THR 69 HG22 THR 69 1.984 8.470 4.990 514 3HG2 THR 69 HG23 THR 69 0.236 8.347 4.770 515 H PHE 70 HN PHE 70 -0.009 6.436 0.723 516 HA PHE 70 HA PHE 70 2.513 6.899 -0.551 517 1HB PHE 70 HB2 PHE 70 -0.328 7.365 -1.482 518 2HB PHE 70 HB1 PHE 70 1.093 7.465 -2.505 519 HD1 PHE 70 HD1 PHE 70 -0.816 5.122 -0.349 520 HD2 PHE 70 HD2 PHE 70 1.921 5.577 -3.567 521 HE1 PHE 70 HE1 PHE 70 -0.978 2.715 -0.821 522 HE2 PHE 70 HE2 PHE 70 1.772 3.174 -4.037 523 HZ PHE 70 HZ PHE 70 0.313 1.736 -2.673 524 H ASP 71 HN ASP 71 3.626 8.680 0.024 525 HA ASP 71 HA ASP 71 2.390 11.096 0.864 526 1HB ASP 71 HB2 ASP 71 4.601 10.504 1.644 527 2HB ASP 71 HB1 ASP 71 5.224 10.547 0.005 528 H PHE 72 HN PHE 72 1.078 11.933 -0.602 529 HA PHE 72 HA PHE 72 2.043 12.507 -3.297 530 1HB PHE 72 HB2 PHE 72 -0.525 11.917 -2.129 531 2HB PHE 72 HB1 PHE 72 -0.592 13.442 -3.007 532 HD1 PHE 72 HD1 PHE 72 1.114 10.179 -3.570 533 HD2 PHE 72 HD2 PHE 72 -1.477 13.184 -5.087 534 HE1 PHE 72 HE1 PHE 72 0.946 8.956 -5.696 535 HE2 PHE 72 HE2 PHE 72 -1.655 11.964 -7.216 536 HZ PHE 72 HZ PHE 72 -0.437 9.846 -7.513 537 H GLY 73 HN GLY 73 2.911 13.935 -0.822 538 1HA GLY 73 HA2 GLY 73 3.590 16.103 -0.423 539 2HA GLY 73 HA1 GLY 73 2.748 16.587 -1.885 540 H VAL 74 HN VAL 74 0.427 14.990 -0.390 541 HA VAL 74 HA VAL 74 -0.380 17.217 1.343 542 HB VAL 74 HB VAL 74 -2.735 16.836 0.553 543 1HG1 VAL 74 HG11 VAL 74 -2.529 18.267 -1.339 544 2HG1 VAL 74 HG12 VAL 74 -0.870 17.744 -1.627 545 3HG1 VAL 74 HG13 VAL 74 -1.256 18.709 -0.202 546 1HG2 VAL 74 HG21 VAL 74 -2.362 15.882 -2.010 547 2HG2 VAL 74 HG22 VAL 74 -3.090 15.005 -0.667 548 3HG2 VAL 74 HG23 VAL 74 -1.374 14.811 -1.018 549 H GLY 75 HN GLY 75 0.813 15.052 2.396 550 1HA GLY 75 HA2 GLY 75 -0.322 12.748 3.055 551 2HA GLY 75 HA1 GLY 75 0.424 13.741 4.284 552 H THR 76 HN THR 76 -1.526 15.833 4.134 553 HA THR 76 HA THR 76 -3.219 15.285 6.155 554 HB THR 76 HB THR 76 -3.819 16.989 3.733 555 HG1 THR 76 HG1 THR 76 -2.547 17.445 6.204 556 1HG2 THR 76 HG21 THR 76 -5.187 16.887 6.402 557 2HG2 THR 76 HG22 THR 76 -5.906 16.711 4.801 558 3HG2 THR 76 HG23 THR 76 -5.274 18.275 5.319 559 H LYS 77 HN LYS 77 -4.075 14.809 2.724 560 HA LYS 77 HA LYS 77 -6.050 12.849 3.590 561 1HB LYS 77 HB2 LYS 77 -7.384 13.670 1.532 562 2HB LYS 77 HB1 LYS 77 -7.434 14.626 3.008 563 1HG LYS 77 HG2 LYS 77 -7.141 15.972 0.961 564 2HG LYS 77 HG1 LYS 77 -5.839 16.182 2.128 565 1HD LYS 77 HD2 LYS 77 -4.316 15.041 0.825 566 2HD LYS 77 HD1 LYS 77 -5.566 14.146 -0.035 567 1HE LYS 77 HE2 LYS 77 -6.156 16.709 -0.728 568 2HE LYS 77 HE1 LYS 77 -4.401 16.785 -0.584 569 1HZ LYS 77 HZ1 LYS 77 -4.868 14.478 -1.970 570 2HZ LYS 77 HZ2 LYS 77 -4.359 15.950 -2.630 571 3HZ LYS 77 HZ3 LYS 77 -6.004 15.560 -2.608 572 H ASN 78 HN ASN 78 -3.243 13.019 2.213 573 HA ASN 78 HA ASN 78 -3.213 12.124 -0.335 574 1HB ASN 78 HB2 ASN 78 -1.052 11.687 0.079 575 2HB ASN 78 HB1 ASN 78 -1.383 12.226 1.714 576 1HD2 ASN 78 HD21 ASN 78 -0.736 10.900 3.238 577 2HD2 ASN 78 HD22 ASN 78 -0.567 9.188 3.097 578 HA PRO 79 HA PRO 79 -5.098 8.157 -0.506 579 1HB PRO 79 HB2 PRO 79 -3.292 6.998 -2.382 580 2HB PRO 79 HB1 PRO 79 -4.821 7.807 -2.708 581 1HG PRO 79 HG2 PRO 79 -2.296 8.760 -3.409 582 2HG PRO 79 HG1 PRO 79 -3.788 9.708 -3.377 583 1HD PRO 79 HD2 PRO 79 -1.568 9.591 -1.403 584 2HD PRO 79 HD1 PRO 79 -2.640 10.941 -1.823 585 H LYS 80 HN LYS 80 -4.659 7.342 1.545 586 HA LYS 80 HA LYS 80 -2.259 5.699 1.868 587 1HB LYS 80 HB2 LYS 80 -4.398 6.609 3.801 588 2HB LYS 80 HB1 LYS 80 -3.148 5.451 4.234 589 1HG LYS 80 HG2 LYS 80 -1.439 7.050 4.014 590 2HG LYS 80 HG1 LYS 80 -2.496 8.175 3.159 591 1HD LYS 80 HD2 LYS 80 -2.083 8.831 5.509 592 2HD LYS 80 HD1 LYS 80 -3.790 8.551 5.160 593 1HE LYS 80 HE2 LYS 80 -3.739 6.427 6.234 594 2HE LYS 80 HE1 LYS 80 -1.982 6.464 6.364 595 1HZ LYS 80 HZ1 LYS 80 -2.226 8.402 7.852 596 2HZ LYS 80 HZ2 LYS 80 -2.936 6.999 8.476 597 3HZ LYS 80 HZ3 LYS 80 -3.906 8.210 7.804 598 H LEU 81 HN LEU 81 -2.436 3.439 2.421 599 HA LEU 81 HA LEU 81 -5.083 2.299 1.950 600 1HB LEU 81 HB2 LEU 81 -4.454 1.447 -0.001 601 2HB LEU 81 HB1 LEU 81 -2.854 2.131 0.193 602 HG LEU 81 HG LEU 81 -2.179 0.083 1.425 603 1HD1 LEU 81 HD11 LEU 81 -3.852 -1.131 2.273 604 2HD1 LEU 81 HD12 LEU 81 -3.997 -1.810 0.651 605 3HD1 LEU 81 HD13 LEU 81 -5.029 -0.465 1.140 606 1HD2 LEU 81 HD21 LEU 81 -3.297 -0.477 -1.309 607 2HD2 LEU 81 HD22 LEU 81 -1.943 -1.290 -0.521 608 3HD2 LEU 81 HD23 LEU 81 -1.797 0.396 -1.004 609 H THR 82 HN THR 82 -5.647 1.172 3.699 610 HA THR 82 HA THR 82 -3.551 0.190 5.451 611 HB THR 82 HB THR 82 -5.239 1.333 6.628 612 HG1 THR 82 HG1 THR 82 -6.029 -0.243 7.978 613 1HG2 THR 82 HG21 THR 82 -7.652 0.441 6.512 614 2HG2 THR 82 HG22 THR 82 -7.169 -0.187 4.938 615 3HG2 THR 82 HG23 THR 82 -7.079 1.540 5.259 616 H ILE 83 HN ILE 83 -2.782 -1.760 5.242 617 HA ILE 83 HA ILE 83 -4.539 -3.878 4.206 618 HB ILE 83 HB ILE 83 -1.531 -3.938 4.213 619 1HG1 ILE 83 HG12 ILE 83 -3.440 -3.021 2.068 620 2HG1 ILE 83 HG11 ILE 83 -2.082 -2.137 2.753 621 1HG2 ILE 83 HG21 ILE 83 -2.328 -5.614 2.255 622 2HG2 ILE 83 HG22 ILE 83 -3.672 -5.767 3.384 623 3HG2 ILE 83 HG23 ILE 83 -2.027 -6.108 3.920 624 1HD1 ILE 83 HD11 ILE 83 -0.516 -3.420 1.588 625 2HD1 ILE 83 HD12 ILE 83 -1.805 -3.123 0.422 626 3HD1 ILE 83 HD13 ILE 83 -1.692 -4.687 1.231 627 H THR 84 HN THR 84 -4.414 -5.943 5.174 628 HA THR 84 HA THR 84 -3.456 -5.852 7.950 629 HB THR 84 HB THR 84 -5.397 -7.923 7.048 630 HG1 THR 84 HG1 THR 84 -6.236 -5.979 6.201 631 1HG2 THR 84 HG21 THR 84 -5.341 -6.266 9.554 632 2HG2 THR 84 HG22 THR 84 -4.555 -7.836 9.382 633 3HG2 THR 84 HG23 THR 84 -6.308 -7.708 9.235 634 H VAL 85 HN VAL 85 -1.383 -6.608 7.731 635 HA VAL 85 HA VAL 85 -0.912 -9.056 6.226 636 HB VAL 85 HB VAL 85 1.388 -8.264 7.727 637 1HG1 VAL 85 HG11 VAL 85 0.692 -9.155 5.157 638 2HG1 VAL 85 HG12 VAL 85 2.306 -8.971 5.841 639 3HG1 VAL 85 HG13 VAL 85 1.573 -7.643 4.943 640 1HG2 VAL 85 HG21 VAL 85 0.777 -6.043 7.920 641 2HG2 VAL 85 HG22 VAL 85 -0.104 -6.046 6.395 642 3HG2 VAL 85 HG23 VAL 85 1.656 -6.045 6.392 643 H LEU 86 HN LEU 86 -1.794 -10.726 7.320 644 HA LEU 86 HA LEU 86 -1.534 -11.024 10.162 645 1HB LEU 86 HB2 LEU 86 -2.571 -12.810 7.978 646 2HB LEU 86 HB1 LEU 86 -2.464 -13.351 9.642 647 HG LEU 86 HG LEU 86 -4.719 -12.461 8.812 648 1HD1 LEU 86 HD11 LEU 86 -4.087 -12.868 11.184 649 2HD1 LEU 86 HD12 LEU 86 -5.259 -11.569 10.967 650 3HD1 LEU 86 HD13 LEU 86 -3.568 -11.187 11.287 651 1HD2 LEU 86 HD21 LEU 86 -5.015 -10.047 8.930 652 2HD2 LEU 86 HD22 LEU 86 -3.848 -10.474 7.679 653 3HD2 LEU 86 HD23 LEU 86 -3.291 -9.837 9.227 654 HA PRO 87 HA PRO 87 2.244 -13.248 10.456 655 1HB PRO 87 HB2 PRO 87 1.706 -15.093 12.373 656 2HB PRO 87 HB1 PRO 87 1.896 -13.370 12.725 657 1HG PRO 87 HG2 PRO 87 -0.606 -14.969 12.384 658 2HG PRO 87 HG1 PRO 87 -0.225 -13.734 13.596 659 1HD PRO 87 HD2 PRO 87 -1.737 -13.213 11.412 660 2HD PRO 87 HD1 PRO 87 -0.678 -11.995 12.151 661 H LYS 88 HN LYS 88 3.290 -15.339 10.168 662 HA LYS 88 HA LYS 88 2.190 -16.810 8.025 663 1HB LYS 88 HB2 LYS 88 4.673 -16.708 9.468 664 2HB LYS 88 HB1 LYS 88 4.192 -18.381 9.239 665 1HG LYS 88 HG2 LYS 88 4.996 -18.289 7.183 666 2HG LYS 88 HG1 LYS 88 3.758 -17.097 6.780 667 1HD LYS 88 HD2 LYS 88 6.068 -16.339 6.272 668 2HD LYS 88 HD1 LYS 88 5.217 -15.291 7.408 669 1HE LYS 88 HE2 LYS 88 6.772 -17.468 8.630 670 2HE LYS 88 HE1 LYS 88 7.724 -16.247 7.785 671 1HZ LYS 88 HZ1 LYS 88 6.411 -16.074 10.298 672 2HZ LYS 88 HZ2 LYS 88 5.875 -14.847 9.266 673 3HZ LYS 88 HZ3 LYS 88 7.526 -15.011 9.599 674 H ASP 89 HN ASP 89 2.022 -19.232 8.069 675 HA ASP 89 HA ASP 89 0.375 -20.015 10.372 676 1HB ASP 89 HB2 ASP 89 -0.141 -20.148 7.650 677 2HB ASP 89 HB1 ASP 89 0.283 -21.802 8.070 678 H ILE 90 HN ILE 90 0.475 -22.287 11.054 679 HA ILE 90 HA ILE 90 3.232 -23.304 10.892 680 HB ILE 90 HB ILE 90 1.180 -23.800 13.049 681 1HG1 ILE 90 HG12 ILE 90 3.228 -22.499 14.263 682 2HG1 ILE 90 HG11 ILE 90 3.273 -21.745 12.672 683 1HG2 ILE 90 HG21 ILE 90 2.853 -25.625 12.611 684 2HG2 ILE 90 HG22 ILE 90 2.871 -24.958 14.242 685 3HG2 ILE 90 HG23 ILE 90 4.110 -24.480 13.082 686 1HD1 ILE 90 HD11 ILE 90 0.895 -21.869 14.513 687 2HD1 ILE 90 HD12 ILE 90 0.916 -21.135 12.908 688 3HD1 ILE 90 HD13 ILE 90 1.908 -20.462 14.199 689 HA PRO 91 HA PRO 91 1.644 -26.851 8.759 690 1HB PRO 91 HB2 PRO 91 3.741 -28.530 9.142 691 2HB PRO 91 HB1 PRO 91 3.790 -27.182 8.003 692 1HG PRO 91 HG2 PRO 91 4.881 -27.348 10.785 693 2HG PRO 91 HG1 PRO 91 5.624 -26.656 9.330 694 1HD PRO 91 HD2 PRO 91 4.431 -25.130 11.223 695 2HD PRO 91 HD1 PRO 91 4.431 -24.691 9.503 696 H GLY 92 HN GLY 92 0.616 -28.777 9.203 697 1HA GLY 92 HA2 GLY 92 0.291 -30.744 10.554 698 2HA GLY 92 HA1 GLY 92 0.858 -29.831 11.944 699 H LEU 93 HN LEU 93 -0.683 -27.495 11.551 700 HA LEU 93 HA LEU 93 -3.389 -27.845 11.123 701 1HB LEU 93 HB2 LEU 93 -2.607 -29.307 13.358 702 2HB LEU 93 HB1 LEU 93 -3.315 -27.847 14.025 703 HG LEU 93 HG LEU 93 -5.372 -28.279 12.703 704 1HD1 LEU 93 HD11 LEU 93 -5.706 -30.288 11.519 705 2HD1 LEU 93 HD12 LEU 93 -4.214 -30.994 12.138 706 3HD1 LEU 93 HD13 LEU 93 -4.144 -29.670 10.978 707 1HD2 LEU 93 HD21 LEU 93 -4.395 -29.713 14.979 708 2HD2 LEU 93 HD22 LEU 93 -5.468 -30.750 14.040 709 3HD2 LEU 93 HD23 LEU 93 -6.036 -29.183 14.615 710 H GLU 94 HN GLU 94 -4.475 -25.940 11.363 711 HA GLU 94 HA GLU 94 -2.960 -23.596 11.824 712 1HB GLU 94 HB2 GLU 94 -5.966 -23.901 11.675 713 2HB GLU 94 HB1 GLU 94 -5.068 -22.397 11.504 714 1HG GLU 94 HG2 GLU 94 -4.951 -22.752 9.330 715 2HG GLU 94 HG1 GLU 94 -3.986 -24.194 9.632 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -4.105 22.579 -3.321 2 2H MET 1 HT2 MET 1 -4.529 21.465 -2.086 3 3H MET 1 HT3 MET 1 -4.941 23.123 -1.928 4 HA MET 1 HA MET 1 -6.799 21.698 -2.537 5 1HB MET 1 HB2 MET 1 -6.731 24.105 -3.022 6 2HB MET 1 HB1 MET 1 -5.908 23.781 -4.541 7 1HG MET 1 HG2 MET 1 -7.798 22.948 -5.548 8 2HG MET 1 HG1 MET 1 -8.556 22.524 -4.016 9 1HE MET 1 HE1 MET 1 -6.802 25.358 -5.573 10 2HE MET 1 HE2 MET 1 -7.358 26.640 -4.497 11 3HE MET 1 HE3 MET 1 -8.083 26.453 -6.093 12 H GLN 2 HN GLN 2 -4.989 19.803 -3.147 13 HA GLN 2 HA GLN 2 -5.307 19.266 -6.019 14 1HB GLN 2 HB2 GLN 2 -3.569 17.586 -4.265 15 2HB GLN 2 HB1 GLN 2 -3.380 17.992 -5.965 16 1HG GLN 2 HG2 GLN 2 -3.002 19.967 -3.730 17 2HG GLN 2 HG1 GLN 2 -1.695 19.013 -4.432 18 1HE2 GLN 2 HE21 GLN 2 -0.554 20.084 -5.861 19 2HE2 GLN 2 HE22 GLN 2 -1.137 21.310 -6.930 20 H ASP 3 HN ASP 3 -5.678 16.961 -6.609 21 HA ASP 3 HA ASP 3 -7.208 15.464 -4.616 22 1HB ASP 3 HB2 ASP 3 -8.378 16.915 -6.759 23 2HB ASP 3 HB1 ASP 3 -8.558 15.199 -7.103 24 HA PRO 4 HA PRO 4 -4.388 12.678 -6.971 25 1HB PRO 4 HB2 PRO 4 -3.631 11.201 -4.840 26 2HB PRO 4 HB1 PRO 4 -2.876 12.752 -5.228 27 1HG PRO 4 HG2 PRO 4 -4.993 12.131 -3.207 28 2HG PRO 4 HG1 PRO 4 -3.566 13.170 -3.048 29 1HD PRO 4 HD2 PRO 4 -6.064 14.140 -3.525 30 2HD PRO 4 HD1 PRO 4 -4.588 14.944 -4.096 31 H THR 5 HN THR 5 -4.899 10.667 -7.775 32 HA THR 5 HA THR 5 -7.089 9.234 -6.430 33 HB THR 5 HB THR 5 -6.904 9.189 -9.409 34 HG1 THR 5 HG1 THR 5 -8.391 11.010 -9.359 35 1HG2 THR 5 HG21 THR 5 -8.663 8.098 -7.578 36 2HG2 THR 5 HG22 THR 5 -8.904 8.250 -9.318 37 3HG2 THR 5 HG23 THR 5 -9.518 9.496 -8.230 38 H ILE 6 HN ILE 6 -6.481 7.242 -5.858 39 HA ILE 6 HA ILE 6 -4.966 5.632 -7.712 40 HB ILE 6 HB ILE 6 -3.160 5.156 -6.316 41 1HG1 ILE 6 HG12 ILE 6 -4.477 6.740 -4.111 42 2HG1 ILE 6 HG11 ILE 6 -4.430 4.982 -4.197 43 1HG2 ILE 6 HG21 ILE 6 -2.067 7.270 -6.005 44 2HG2 ILE 6 HG22 ILE 6 -3.619 8.105 -5.960 45 3HG2 ILE 6 HG23 ILE 6 -3.067 7.351 -7.453 46 1HD1 ILE 6 HD11 ILE 6 -1.873 5.282 -4.272 47 2HD1 ILE 6 HD12 ILE 6 -2.714 5.489 -2.735 48 3HD1 ILE 6 HD13 ILE 6 -2.207 6.902 -3.662 49 H ASN 7 HN ASN 7 -4.290 3.554 -6.209 50 HA ASN 7 HA ASN 7 -6.377 1.865 -6.084 51 1HB ASN 7 HB2 ASN 7 -5.071 0.501 -4.522 52 2HB ASN 7 HB1 ASN 7 -4.035 1.199 -5.759 53 1HD2 ASN 7 HD21 ASN 7 -3.027 3.336 -5.124 54 2HD2 ASN 7 HD22 ASN 7 -2.427 3.460 -3.514 55 HA PRO 8 HA PRO 8 -9.170 2.408 -2.822 56 1HB PRO 8 HB2 PRO 8 -8.399 -0.208 -1.661 57 2HB PRO 8 HB1 PRO 8 -9.984 0.361 -2.186 58 1HG PRO 8 HG2 PRO 8 -8.623 -1.390 -3.652 59 2HG PRO 8 HG1 PRO 8 -9.559 -0.097 -4.418 60 1HD PRO 8 HD2 PRO 8 -6.608 -0.297 -3.982 61 2HD PRO 8 HD1 PRO 8 -7.497 0.328 -5.384 62 H THR 9 HN THR 9 -9.027 1.176 -0.199 63 HA THR 9 HA THR 9 -6.617 2.290 0.983 64 HB THR 9 HB THR 9 -9.398 3.327 1.460 65 HG1 THR 9 HG1 THR 9 -6.894 4.506 0.871 66 1HG2 THR 9 HG21 THR 9 -8.078 4.762 3.240 67 2HG2 THR 9 HG22 THR 9 -7.157 3.264 3.393 68 3HG2 THR 9 HG23 THR 9 -8.900 3.261 3.667 69 H SER 10 HN SER 10 -8.626 -0.259 0.806 70 HA SER 10 HA SER 10 -7.891 -1.114 3.499 71 1HB SER 10 HB2 SER 10 -10.070 -1.830 4.111 72 2HB SER 10 HB1 SER 10 -10.255 -0.186 3.499 73 HG SER 10 HG SER 10 -11.167 -2.581 2.465 74 H ILE 11 HN ILE 11 -7.209 -3.116 3.624 75 HA ILE 11 HA ILE 11 -8.122 -5.247 1.949 76 HB ILE 11 HB ILE 11 -6.628 -4.372 0.306 77 1HG1 ILE 11 HG12 ILE 11 -4.831 -6.425 1.497 78 2HG1 ILE 11 HG11 ILE 11 -6.487 -6.899 1.133 79 1HG2 ILE 11 HG21 ILE 11 -4.761 -3.238 0.735 80 2HG2 ILE 11 HG22 ILE 11 -4.134 -4.511 1.780 81 3HG2 ILE 11 HG23 ILE 11 -5.246 -3.304 2.430 82 1HD1 ILE 11 HD11 ILE 11 -4.307 -6.815 -0.601 83 2HD1 ILE 11 HD12 ILE 11 -5.360 -5.484 -1.082 84 3HD1 ILE 11 HD13 ILE 11 -5.995 -7.128 -1.004 85 H SER 12 HN SER 12 -7.506 -7.283 2.768 86 HA SER 12 HA SER 12 -5.645 -7.313 5.017 87 1HB SER 12 HB2 SER 12 -7.866 -8.935 5.767 88 2HB SER 12 HB1 SER 12 -7.197 -7.535 6.598 89 HG SER 12 HG SER 12 -9.469 -7.747 5.128 90 H ALA 13 HN ALA 13 -4.481 -9.089 5.191 91 HA ALA 13 HA ALA 13 -5.265 -11.672 4.384 92 1HB ALA 13 HB1 ALA 13 -4.608 -11.838 2.260 93 2HB ALA 13 HB2 ALA 13 -3.053 -11.089 2.619 94 3HB ALA 13 HB3 ALA 13 -4.452 -10.083 2.243 95 H LYS 14 HN LYS 14 -3.454 -13.229 4.655 96 HA LYS 14 HA LYS 14 -1.859 -12.525 6.870 97 1HB LYS 14 HB2 LYS 14 -0.810 -14.859 5.930 98 2HB LYS 14 HB1 LYS 14 -2.101 -14.736 7.094 99 1HG LYS 14 HG2 LYS 14 -3.702 -15.338 5.562 100 2HG LYS 14 HG1 LYS 14 -2.738 -14.804 4.186 101 1HD LYS 14 HD2 LYS 14 -1.781 -17.067 5.882 102 2HD LYS 14 HD1 LYS 14 -3.016 -17.345 4.656 103 1HE LYS 14 HE2 LYS 14 -0.490 -17.643 4.069 104 2HE LYS 14 HE1 LYS 14 -1.583 -16.886 2.914 105 1HZ LYS 14 HZ1 LYS 14 0.374 -15.561 4.694 106 2HZ LYS 14 HZ2 LYS 14 -0.827 -14.707 3.871 107 3HZ LYS 14 HZ3 LYS 14 0.340 -15.562 3.004 108 H ALA 15 HN ALA 15 0.459 -12.477 6.952 109 HA ALA 15 HA ALA 15 1.578 -10.979 4.879 110 1HB ALA 15 HB1 ALA 15 3.612 -10.984 6.086 111 2HB ALA 15 HB2 ALA 15 3.211 -12.509 6.887 112 3HB ALA 15 HB3 ALA 15 2.333 -11.036 7.305 113 H GLY 16 HN GLY 16 1.725 -11.701 2.967 114 1HA GLY 16 HA2 GLY 16 3.481 -12.922 1.618 115 2HA GLY 16 HA1 GLY 16 2.932 -14.344 2.499 116 H SER 17 HN SER 17 0.130 -13.545 2.492 117 HA SER 17 HA SER 17 -0.606 -14.719 0.021 118 1HB SER 17 HB2 SER 17 -2.825 -13.425 1.135 119 2HB SER 17 HB1 SER 17 -2.379 -15.116 1.326 120 HG SER 17 HG SER 17 -1.801 -12.925 3.003 121 H PHE 18 HN PHE 18 0.678 -11.831 0.458 122 HA PHE 18 HA PHE 18 -1.126 -10.365 -1.271 123 1HB PHE 18 HB2 PHE 18 1.273 -9.502 0.315 124 2HB PHE 18 HB1 PHE 18 0.238 -8.453 -0.608 125 HD1 PHE 18 HD1 PHE 18 -1.907 -7.753 0.211 126 HD2 PHE 18 HD2 PHE 18 0.459 -10.559 2.351 127 HE1 PHE 18 HE1 PHE 18 -3.358 -7.474 2.182 128 HE2 PHE 18 HE2 PHE 18 -0.977 -10.290 4.320 129 HZ PHE 18 HZ PHE 18 -2.887 -8.747 4.239 130 H ALA 19 HN ALA 19 -0.527 -11.699 -3.079 131 HA ALA 19 HA ALA 19 2.144 -11.818 -4.029 132 1HB ALA 19 HB1 ALA 19 1.318 -13.053 -5.745 133 2HB ALA 19 HB2 ALA 19 -0.052 -11.977 -5.999 134 3HB ALA 19 HB3 ALA 19 -0.082 -13.149 -4.682 135 H ASP 20 HN ASP 20 2.990 -10.748 -5.960 136 HA ASP 20 HA ASP 20 3.195 -8.097 -5.921 137 1HB ASP 20 HB2 ASP 20 4.428 -9.404 -7.544 138 2HB ASP 20 HB1 ASP 20 2.952 -9.761 -8.432 139 H THR 21 HN THR 21 1.805 -6.470 -5.832 140 HA THR 21 HA THR 21 -0.663 -6.668 -7.423 141 HB THR 21 HB THR 21 -0.344 -5.538 -4.637 142 HG1 THR 21 HG1 THR 21 -1.831 -7.745 -5.620 143 1HG2 THR 21 HG21 THR 21 -2.680 -5.486 -6.514 144 2HG2 THR 21 HG22 THR 21 -1.951 -4.152 -5.615 145 3HG2 THR 21 HG23 THR 21 -2.872 -5.393 -4.763 146 H LYS 22 HN LYS 22 -0.883 -5.102 -8.837 147 HA LYS 22 HA LYS 22 0.857 -2.838 -8.768 148 1HB LYS 22 HB2 LYS 22 -0.904 -2.477 -10.891 149 2HB LYS 22 HB1 LYS 22 0.718 -3.132 -10.976 150 1HG LYS 22 HG2 LYS 22 -0.167 -5.388 -10.717 151 2HG LYS 22 HG1 LYS 22 -1.802 -4.733 -10.614 152 1HD LYS 22 HD2 LYS 22 -0.350 -3.799 -12.961 153 2HD LYS 22 HD1 LYS 22 -0.526 -5.555 -12.915 154 1HE LYS 22 HE2 LYS 22 -2.376 -4.323 -14.082 155 2HE LYS 22 HE1 LYS 22 -2.893 -5.398 -12.783 156 1HZ LYS 22 HZ1 LYS 22 -2.501 -2.475 -12.455 157 2HZ LYS 22 HZ2 LYS 22 -3.177 -3.543 -11.333 158 3HZ LYS 22 HZ3 LYS 22 -3.996 -3.197 -12.772 159 H ILE 23 HN ILE 23 -0.109 -0.710 -9.416 160 HA ILE 23 HA ILE 23 -2.725 -0.110 -8.383 161 HB ILE 23 HB ILE 23 -0.242 0.629 -6.944 162 1HG1 ILE 23 HG12 ILE 23 -2.938 -0.427 -6.147 163 2HG1 ILE 23 HG11 ILE 23 -1.394 -1.264 -6.078 164 1HG2 ILE 23 HG21 ILE 23 -1.474 2.356 -5.704 165 2HG2 ILE 23 HG22 ILE 23 -2.828 2.156 -6.815 166 3HG2 ILE 23 HG23 ILE 23 -1.281 2.760 -7.409 167 1HD1 ILE 23 HD11 ILE 23 -0.858 -0.374 -4.098 168 2HD1 ILE 23 HD12 ILE 23 -2.592 -0.081 -3.968 169 3HD1 ILE 23 HD13 ILE 23 -1.516 1.203 -4.510 170 H THR 24 HN THR 24 -3.286 2.190 -8.672 171 HA THR 24 HA THR 24 -1.756 3.368 -10.898 172 HB THR 24 HB THR 24 -4.130 2.619 -11.336 173 HG1 THR 24 HG1 THR 24 -3.590 5.382 -11.659 174 1HG2 THR 24 HG21 THR 24 -4.835 3.751 -9.030 175 2HG2 THR 24 HG22 THR 24 -5.946 3.551 -10.386 176 3HG2 THR 24 HG23 THR 24 -5.149 5.101 -10.120 177 H LEU 25 HN LEU 25 -0.608 5.098 -10.363 178 HA LEU 25 HA LEU 25 -1.382 6.671 -8.013 179 1HB LEU 25 HB2 LEU 25 1.085 5.856 -9.228 180 2HB LEU 25 HB1 LEU 25 1.035 7.603 -9.128 181 HG LEU 25 HG LEU 25 0.246 6.197 -6.663 182 1HD1 LEU 25 HD11 LEU 25 3.162 6.269 -7.345 183 2HD1 LEU 25 HD12 LEU 25 2.172 4.860 -7.717 184 3HD1 LEU 25 HD13 LEU 25 2.344 5.398 -6.047 185 1HD2 LEU 25 HD21 LEU 25 0.518 8.663 -6.945 186 2HD2 LEU 25 HD22 LEU 25 2.246 8.392 -7.158 187 3HD2 LEU 25 HD23 LEU 25 1.467 7.968 -5.633 188 H THR 26 HN THR 26 -3.209 7.597 -9.307 189 HA THR 26 HA THR 26 -2.682 9.262 -11.545 190 HB THR 26 HB THR 26 -5.047 9.638 -9.733 191 HG1 THR 26 HG1 THR 26 -5.737 7.720 -10.178 192 1HG2 THR 26 HG21 THR 26 -4.382 10.316 -12.487 193 2HG2 THR 26 HG22 THR 26 -5.596 10.999 -11.404 194 3HG2 THR 26 HG23 THR 26 -5.945 9.522 -12.303 195 HA PRO 27 HA PRO 27 -1.156 12.692 -9.037 196 1HB PRO 27 HB2 PRO 27 0.613 13.559 -10.747 197 2HB PRO 27 HB1 PRO 27 0.805 11.930 -10.081 198 1HG PRO 27 HG2 PRO 27 -0.324 12.746 -12.734 199 2HG PRO 27 HG1 PRO 27 0.861 11.486 -12.379 200 1HD PRO 27 HD2 PRO 27 -1.857 11.057 -12.668 201 2HD PRO 27 HD1 PRO 27 -0.738 9.967 -11.826 202 H ASN 28 HN ASN 28 -3.194 12.598 -11.538 203 HA ASN 28 HA ASN 28 -3.364 14.696 -13.041 204 1HB ASN 28 HB2 ASN 28 -5.168 12.787 -12.172 205 2HB ASN 28 HB1 ASN 28 -5.951 14.313 -11.776 206 1HD2 ASN 28 HD21 ASN 28 -7.475 14.471 -13.291 207 2HD2 ASN 28 HD22 ASN 28 -7.186 14.455 -14.994 208 H GLY 29 HN GLY 29 -2.110 16.060 -11.605 209 1HA GLY 29 HA2 GLY 29 -2.501 18.446 -11.107 210 2HA GLY 29 HA1 GLY 29 -3.863 17.924 -10.131 211 H ASN 30 HN ASN 30 -2.322 15.651 -9.091 212 HA ASN 30 HA ASN 30 -0.736 17.106 -7.096 213 1HB ASN 30 HB2 ASN 30 -1.425 14.331 -6.488 214 2HB ASN 30 HB1 ASN 30 -1.615 15.776 -5.509 215 1HD2 ASN 30 HD21 ASN 30 -3.030 14.109 -8.299 216 2HD2 ASN 30 HD22 ASN 30 -4.660 14.567 -7.954 217 H THR 31 HN THR 31 1.048 15.790 -6.114 218 HA THR 31 HA THR 31 2.398 14.154 -8.149 219 HB THR 31 HB THR 31 3.552 16.256 -8.090 220 HG1 THR 31 HG1 THR 31 5.060 14.715 -8.195 221 1HG2 THR 31 HG21 THR 31 2.685 16.864 -5.756 222 2HG2 THR 31 HG22 THR 31 4.306 17.388 -6.212 223 3HG2 THR 31 HG23 THR 31 4.096 15.986 -5.163 224 H PHE 32 HN PHE 32 3.895 12.582 -7.300 225 HA PHE 32 HA PHE 32 3.179 11.720 -4.574 226 1HB PHE 32 HB2 PHE 32 2.293 10.210 -6.277 227 2HB PHE 32 HB1 PHE 32 3.902 10.017 -6.965 228 HD1 PHE 32 HD1 PHE 32 4.233 7.723 -6.710 229 HD2 PHE 32 HD2 PHE 32 3.021 10.056 -3.369 230 HE1 PHE 32 HE1 PHE 32 4.638 5.801 -5.231 231 HE2 PHE 32 HE2 PHE 32 3.426 8.140 -1.883 232 HZ PHE 32 HZ PHE 32 4.234 6.008 -2.812 233 H ASN 33 HN ASN 33 4.770 11.056 -3.194 234 HA ASN 33 HA ASN 33 7.534 11.502 -4.109 235 1HB ASN 33 HB2 ASN 33 6.173 12.706 -2.011 236 2HB ASN 33 HB1 ASN 33 7.158 11.480 -1.220 237 1HD2 ASN 33 HD21 ASN 33 7.107 14.523 -2.723 238 2HD2 ASN 33 HD22 ASN 33 8.802 14.848 -2.657 239 H GLY 34 HN GLY 34 5.433 9.416 -2.187 240 1HA GLY 34 HA2 GLY 34 6.230 6.979 -2.736 241 2HA GLY 34 HA1 GLY 34 7.628 7.510 -1.824 242 H ILE 35 HN ILE 35 6.048 5.317 -1.068 243 HA ILE 35 HA ILE 35 4.508 6.306 1.219 244 HB ILE 35 HB ILE 35 4.663 3.407 0.590 245 1HG1 ILE 35 HG12 ILE 35 3.032 5.363 -1.029 246 2HG1 ILE 35 HG11 ILE 35 4.388 4.417 -1.625 247 1HG2 ILE 35 HG21 ILE 35 2.854 3.331 1.907 248 2HG2 ILE 35 HG22 ILE 35 2.052 4.597 0.987 249 3HG2 ILE 35 HG23 ILE 35 3.171 5.024 2.283 250 1HD1 ILE 35 HD11 ILE 35 2.558 3.228 -2.366 251 2HD1 ILE 35 HD12 ILE 35 1.635 3.530 -0.895 252 3HD1 ILE 35 HD13 ILE 35 2.977 2.386 -0.876 253 H SER 36 HN SER 36 5.953 6.774 2.761 254 HA SER 36 HA SER 36 8.399 5.468 3.236 255 1HB SER 36 HB2 SER 36 8.648 6.870 5.058 256 2HB SER 36 HB1 SER 36 7.414 7.748 4.154 257 HG SER 36 HG SER 36 6.950 7.450 6.426 258 H GLU 37 HN GLU 37 5.205 4.759 4.563 259 HA GLU 37 HA GLU 37 5.729 3.106 6.606 260 1HB GLU 37 HB2 GLU 37 3.839 1.789 5.131 261 2HB GLU 37 HB1 GLU 37 3.510 3.041 6.293 262 1HG GLU 37 HG2 GLU 37 4.145 3.832 3.511 263 2HG GLU 37 HG1 GLU 37 2.586 3.083 3.816 264 H LEU 38 HN LEU 38 6.308 2.686 3.216 265 HA LEU 38 HA LEU 38 7.910 0.336 3.737 266 1HB LEU 38 HB2 LEU 38 6.897 -0.801 1.800 267 2HB LEU 38 HB1 LEU 38 5.814 -0.622 3.148 268 HG LEU 38 HG LEU 38 5.787 1.220 0.777 269 1HD1 LEU 38 HD11 LEU 38 3.861 -0.041 -0.020 270 2HD1 LEU 38 HD12 LEU 38 4.092 -1.215 1.269 271 3HD1 LEU 38 HD13 LEU 38 5.316 -1.037 0.015 272 1HD2 LEU 38 HD21 LEU 38 4.321 0.996 3.299 273 2HD2 LEU 38 HD22 LEU 38 3.303 1.190 1.873 274 3HD2 LEU 38 HD23 LEU 38 4.554 2.380 2.233 275 H GLN 39 HN GLN 39 9.710 1.471 3.245 276 HA GLN 39 HA GLN 39 10.423 3.366 1.667 277 1HB GLN 39 HB2 GLN 39 12.011 0.814 1.617 278 2HB GLN 39 HB1 GLN 39 12.619 2.455 1.449 279 1HG GLN 39 HG2 GLN 39 11.479 2.658 3.862 280 2HG GLN 39 HG1 GLN 39 11.880 0.941 3.870 281 1HE2 GLN 39 HE21 GLN 39 13.393 3.992 2.853 282 2HE2 GLN 39 HE22 GLN 39 14.932 3.664 3.566 283 H SER 40 HN SER 40 9.178 3.645 0.081 284 HA SER 40 HA SER 40 8.010 2.795 -1.928 285 1HB SER 40 HB2 SER 40 8.713 5.051 -2.114 286 2HB SER 40 HB1 SER 40 10.402 4.582 -2.314 287 HG SER 40 HG SER 40 9.857 4.851 -4.353 288 H SER 41 HN SER 41 11.458 2.158 -1.829 289 HA SER 41 HA SER 41 11.702 0.867 -4.286 290 1HB SER 41 HB2 SER 41 13.802 1.063 -3.502 291 2HB SER 41 HB1 SER 41 13.264 1.065 -1.824 292 HG SER 41 HG SER 41 14.178 -0.835 -1.834 293 H GLN 42 HN GLN 42 9.994 -0.225 -1.460 294 HA GLN 42 HA GLN 42 10.365 -2.978 -1.901 295 1HB GLN 42 HB2 GLN 42 8.667 -3.206 -0.227 296 2HB GLN 42 HB1 GLN 42 9.847 -2.039 0.234 297 1HG GLN 42 HG2 GLN 42 7.152 -1.792 0.382 298 2HG GLN 42 HG1 GLN 42 8.313 -0.500 0.543 299 1HE2 GLN 42 HE21 GLN 42 8.445 0.980 -0.971 300 2HE2 GLN 42 HE22 GLN 42 7.435 1.068 -2.360 301 H TYR 43 HN TYR 43 8.514 -0.658 -3.443 302 HA TYR 43 HA TYR 43 6.970 -2.746 -4.843 303 1HB TYR 43 HB2 TYR 43 5.220 -1.024 -5.328 304 2HB TYR 43 HB1 TYR 43 5.325 -1.507 -3.648 305 HD1 TYR 43 HD1 TYR 43 4.678 0.244 -2.334 306 HD2 TYR 43 HD2 TYR 43 7.229 1.026 -5.648 307 HE1 TYR 43 HE1 TYR 43 4.832 2.594 -1.656 308 HE2 TYR 43 HE2 TYR 43 7.389 3.387 -4.975 309 HH TYR 43 HH TYR 43 7.028 4.828 -3.208 310 H THR 44 HN THR 44 5.993 -1.427 -6.904 311 HA THR 44 HA THR 44 8.349 -0.440 -8.338 312 HB THR 44 HB THR 44 6.160 -1.735 -9.869 313 HG1 THR 44 HG1 THR 44 7.997 -3.212 -8.294 314 1HG2 THR 44 HG21 THR 44 7.898 -2.552 -11.248 315 2HG2 THR 44 HG22 THR 44 9.128 -2.152 -10.050 316 3HG2 THR 44 HG23 THR 44 8.270 -0.864 -10.897 317 H LYS 45 HN LYS 45 7.695 1.662 -7.735 318 HA LYS 45 HA LYS 45 5.182 2.768 -8.469 319 1HB LYS 45 HB2 LYS 45 6.140 4.061 -6.839 320 2HB LYS 45 HB1 LYS 45 7.766 3.815 -7.448 321 1HG LYS 45 HG2 LYS 45 5.793 5.549 -8.893 322 2HG LYS 45 HG1 LYS 45 6.774 6.161 -7.563 323 1HD LYS 45 HD2 LYS 45 8.577 4.818 -9.199 324 2HD LYS 45 HD1 LYS 45 7.507 5.665 -10.318 325 1HE LYS 45 HE2 LYS 45 9.065 7.295 -9.927 326 2HE LYS 45 HE1 LYS 45 7.891 7.670 -8.666 327 1HZ LYS 45 HZ1 LYS 45 9.832 7.667 -7.484 328 2HZ LYS 45 HZ2 LYS 45 10.554 6.459 -8.424 329 3HZ LYS 45 HZ3 LYS 45 9.372 6.052 -7.287 330 H GLY 46 HN GLY 46 4.879 4.482 -10.046 331 1HA GLY 46 HA2 GLY 46 6.731 4.762 -12.220 332 2HA GLY 46 HA1 GLY 46 5.337 3.774 -12.631 333 H THR 47 HN THR 47 6.085 6.872 -11.047 334 HA THR 47 HA THR 47 4.451 8.627 -10.799 335 HB THR 47 HB THR 47 6.464 9.274 -12.065 336 HG1 THR 47 HG1 THR 47 4.546 10.698 -11.761 337 1HG2 THR 47 HG21 THR 47 6.770 9.045 -14.283 338 2HG2 THR 47 HG22 THR 47 5.054 9.218 -14.648 339 3HG2 THR 47 HG23 THR 47 5.680 7.679 -14.057 340 H ASN 48 HN ASN 48 2.651 6.873 -11.038 341 HA ASN 48 HA ASN 48 0.382 7.738 -11.976 342 1HB ASN 48 HB2 ASN 48 0.859 8.210 -14.171 343 2HB ASN 48 HB1 ASN 48 1.960 6.851 -14.345 344 1HD2 ASN 48 HD21 ASN 48 1.244 5.166 -15.433 345 2HD2 ASN 48 HD22 ASN 48 -0.407 4.803 -15.767 346 H GLU 49 HN GLU 49 2.504 5.165 -11.578 347 HA GLU 49 HA GLU 49 0.309 3.445 -10.769 348 1HB GLU 49 HB2 GLU 49 1.961 2.960 -13.146 349 2HB GLU 49 HB1 GLU 49 1.846 1.598 -12.052 350 1HG GLU 49 HG2 GLU 49 -0.349 1.264 -12.475 351 2HG GLU 49 HG1 GLU 49 -0.671 2.975 -12.752 352 H VAL 50 HN VAL 50 1.066 1.555 -9.624 353 HA VAL 50 HA VAL 50 3.793 1.467 -8.711 354 HB VAL 50 HB VAL 50 3.187 3.083 -7.173 355 1HG1 VAL 50 HG11 VAL 50 0.566 2.211 -7.642 356 2HG1 VAL 50 HG12 VAL 50 1.082 3.609 -6.701 357 3HG1 VAL 50 HG13 VAL 50 0.834 2.054 -5.906 358 1HG2 VAL 50 HG21 VAL 50 3.143 1.981 -5.001 359 2HG2 VAL 50 HG22 VAL 50 4.241 1.153 -6.106 360 3HG2 VAL 50 HG23 VAL 50 2.650 0.474 -5.771 361 H THR 51 HN THR 51 4.361 -0.529 -8.075 362 HA THR 51 HA THR 51 2.167 -2.451 -7.655 363 HB THR 51 HB THR 51 4.668 -2.890 -9.283 364 HG1 THR 51 HG1 THR 51 3.339 -2.040 -10.692 365 1HG2 THR 51 HG21 THR 51 2.425 -4.849 -8.924 366 2HG2 THR 51 HG22 THR 51 3.912 -4.903 -7.976 367 3HG2 THR 51 HG23 THR 51 3.977 -5.088 -9.729 368 H LEU 52 HN LEU 52 2.222 -3.194 -5.663 369 HA LEU 52 HA LEU 52 4.550 -3.176 -4.022 370 1HB LEU 52 HB2 LEU 52 1.906 -4.584 -3.761 371 2HB LEU 52 HB1 LEU 52 3.155 -4.631 -2.539 372 HG LEU 52 HG LEU 52 1.271 -3.054 -2.194 373 1HD1 LEU 52 HD11 LEU 52 4.144 -2.485 -1.942 374 2HD1 LEU 52 HD12 LEU 52 2.894 -2.578 -0.702 375 3HD1 LEU 52 HD13 LEU 52 3.055 -1.122 -1.683 376 1HD2 LEU 52 HD21 LEU 52 1.376 -0.879 -3.295 377 2HD2 LEU 52 HD22 LEU 52 1.107 -2.175 -4.462 378 3HD2 LEU 52 HD23 LEU 52 2.711 -1.457 -4.295 379 H LEU 53 HN LEU 53 5.871 -4.901 -3.389 380 HA LEU 53 HA LEU 53 5.533 -7.215 -5.114 381 1HB LEU 53 HB2 LEU 53 7.915 -5.761 -4.188 382 2HB LEU 53 HB1 LEU 53 8.077 -7.508 -4.205 383 HG LEU 53 HG LEU 53 7.128 -5.987 -6.620 384 1HD1 LEU 53 HD11 LEU 53 9.578 -6.369 -7.359 385 2HD1 LEU 53 HD12 LEU 53 9.915 -6.438 -5.630 386 3HD1 LEU 53 HD13 LEU 53 9.197 -4.986 -6.331 387 1HD2 LEU 53 HD21 LEU 53 6.964 -8.010 -7.513 388 2HD2 LEU 53 HD22 LEU 53 7.434 -8.725 -5.969 389 3HD2 LEU 53 HD23 LEU 53 8.666 -8.316 -7.163 390 H ALA 54 HN ALA 54 4.675 -8.884 -4.221 391 HA ALA 54 HA ALA 54 4.078 -9.421 -1.643 392 1HB ALA 54 HB1 ALA 54 3.638 -10.717 -3.891 393 2HB ALA 54 HB2 ALA 54 3.488 -11.513 -2.323 394 3HB ALA 54 HB3 ALA 54 4.947 -11.731 -3.290 395 H SER 55 HN SER 55 7.241 -9.380 -2.916 396 HA SER 55 HA SER 55 8.421 -11.323 -1.207 397 1HB SER 55 HB2 SER 55 9.341 -10.238 -3.406 398 2HB SER 55 HB1 SER 55 9.973 -9.006 -2.315 399 HG SER 55 HG SER 55 11.556 -10.368 -2.080 400 H TYR 56 HN TYR 56 8.174 -7.797 -1.067 401 HA TYR 56 HA TYR 56 9.555 -7.585 1.424 402 1HB TYR 56 HB2 TYR 56 9.472 -5.710 -0.140 403 2HB TYR 56 HB1 TYR 56 7.722 -5.650 -0.004 404 HD1 TYR 56 HD1 TYR 56 10.743 -4.290 1.170 405 HD2 TYR 56 HD2 TYR 56 6.806 -5.288 2.429 406 HE1 TYR 56 HE1 TYR 56 10.944 -2.702 3.037 407 HE2 TYR 56 HE2 TYR 56 6.994 -3.706 4.300 408 HH TYR 56 HH TYR 56 9.030 -1.322 4.495 409 H LEU 57 HN LEU 57 6.172 -7.145 0.480 410 HA LEU 57 HA LEU 57 5.131 -6.840 3.038 411 1HB LEU 57 HB2 LEU 57 4.065 -6.741 0.581 412 2HB LEU 57 HB1 LEU 57 3.458 -8.304 1.094 413 HG LEU 57 HG LEU 57 2.873 -6.800 3.271 414 1HD1 LEU 57 HD11 LEU 57 1.788 -4.927 1.358 415 2HD1 LEU 57 HD12 LEU 57 3.552 -4.905 1.350 416 3HD1 LEU 57 HD13 LEU 57 2.674 -4.624 2.852 417 1HD2 LEU 57 HD21 LEU 57 0.622 -6.976 2.600 418 2HD2 LEU 57 HD22 LEU 57 1.455 -8.367 1.910 419 3HD2 LEU 57 HD23 LEU 57 1.053 -6.985 0.889 420 H ASN 58 HN ASN 58 5.890 -9.786 1.261 421 HA ASN 58 HA ASN 58 4.575 -11.549 3.040 422 1HB ASN 58 HB2 ASN 58 5.202 -12.366 0.866 423 2HB ASN 58 HB1 ASN 58 6.900 -11.986 1.152 424 1HD2 ASN 58 HD21 ASN 58 7.878 -13.893 1.122 425 2HD2 ASN 58 HD22 ASN 58 7.448 -15.255 2.097 426 H THR 59 HN THR 59 7.617 -9.889 3.136 427 HA THR 59 HA THR 59 8.648 -11.508 5.305 428 HB THR 59 HB THR 59 10.197 -9.169 5.044 429 HG1 THR 59 HG1 THR 59 9.778 -10.271 2.490 430 1HG2 THR 59 HG21 THR 59 10.514 -12.024 4.334 431 2HG2 THR 59 HG22 THR 59 11.489 -10.996 5.386 432 3HG2 THR 59 HG23 THR 59 11.647 -10.868 3.635 433 H LEU 60 HN LEU 60 6.816 -8.631 4.873 434 HA LEU 60 HA LEU 60 7.318 -7.009 6.966 435 1HB LEU 60 HB2 LEU 60 4.734 -7.946 5.803 436 2HB LEU 60 HB1 LEU 60 4.703 -6.928 7.228 437 HG LEU 60 HG LEU 60 6.043 -6.181 4.629 438 1HD1 LEU 60 HD11 LEU 60 3.765 -4.591 5.389 439 2HD1 LEU 60 HD12 LEU 60 3.319 -6.287 5.187 440 3HD1 LEU 60 HD13 LEU 60 4.104 -5.419 3.870 441 1HD2 LEU 60 HD21 LEU 60 7.131 -4.907 6.200 442 2HD2 LEU 60 HD22 LEU 60 5.742 -4.862 7.284 443 3HD2 LEU 60 HD23 LEU 60 5.754 -3.871 5.826 444 HA PRO 61 HA PRO 61 7.034 -8.977 10.878 445 1HB PRO 61 HB2 PRO 61 5.121 -6.866 11.723 446 2HB PRO 61 HB1 PRO 61 6.665 -7.338 12.438 447 1HG PRO 61 HG2 PRO 61 6.444 -5.083 11.037 448 2HG PRO 61 HG1 PRO 61 7.900 -6.089 10.929 449 1HD PRO 61 HD2 PRO 61 5.632 -5.820 9.001 450 2HD PRO 61 HD1 PRO 61 7.369 -6.006 8.681 451 H GLU 62 HN GLU 62 5.253 -9.448 12.670 452 HA GLU 62 HA GLU 62 3.395 -11.233 11.502 453 1HB GLU 62 HB2 GLU 62 2.730 -11.762 13.714 454 2HB GLU 62 HB1 GLU 62 4.456 -11.434 13.785 455 1HG GLU 62 HG2 GLU 62 3.481 -8.981 14.314 456 2HG GLU 62 HG1 GLU 62 2.201 -9.987 14.990 457 H ASN 63 HN ASN 63 1.132 -10.989 12.962 458 HA ASN 63 HA ASN 63 -0.602 -9.722 11.462 459 1HB ASN 63 HB2 ASN 63 -1.077 -11.148 13.493 460 2HB ASN 63 HB1 ASN 63 -0.903 -9.685 14.455 461 1HD2 ASN 63 HD21 ASN 63 -2.733 -11.146 11.827 462 2HD2 ASN 63 HD22 ASN 63 -4.178 -10.232 12.085 463 H THR 64 HN THR 64 0.730 -7.825 10.813 464 HA THR 64 HA THR 64 0.239 -5.521 12.590 465 HB THR 64 HB THR 64 2.080 -4.467 11.080 466 HG1 THR 64 HG1 THR 64 3.534 -6.521 10.690 467 1HG2 THR 64 HG21 THR 64 2.417 -4.974 13.455 468 2HG2 THR 64 HG22 THR 64 3.863 -5.271 12.491 469 3HG2 THR 64 HG23 THR 64 2.865 -6.624 13.025 470 H THR 65 HN THR 65 -0.619 -3.631 11.716 471 HA THR 65 HA THR 65 -2.167 -4.033 9.292 472 HB THR 65 HB THR 65 -2.273 -1.444 10.695 473 HG1 THR 65 HG1 THR 65 -2.890 -3.887 11.945 474 1HG2 THR 65 HG21 THR 65 -4.713 -2.998 10.509 475 2HG2 THR 65 HG22 THR 65 -3.921 -2.768 8.951 476 3HG2 THR 65 HG23 THR 65 -4.355 -1.370 9.932 477 H LYS 66 HN LYS 66 -0.496 -3.953 7.738 478 HA LYS 66 HA LYS 66 1.317 -1.814 7.492 479 1HB LYS 66 HB2 LYS 66 1.932 -3.789 6.394 480 2HB LYS 66 HB1 LYS 66 0.352 -3.990 5.657 481 1HG LYS 66 HG2 LYS 66 1.669 -3.353 3.878 482 2HG LYS 66 HG1 LYS 66 0.942 -1.823 4.370 483 1HD LYS 66 HD2 LYS 66 2.900 -1.053 5.320 484 2HD LYS 66 HD1 LYS 66 3.565 -2.670 5.523 485 1HE LYS 66 HE2 LYS 66 3.117 -2.260 2.756 486 2HE LYS 66 HE1 LYS 66 3.956 -0.842 3.380 487 1HZ LYS 66 HZ1 LYS 66 5.616 -2.353 4.356 488 2HZ LYS 66 HZ2 LYS 66 5.549 -2.472 2.672 489 3HZ LYS 66 HZ3 LYS 66 4.835 -3.667 3.631 490 H THR 67 HN THR 67 0.860 0.219 6.974 491 HA THR 67 HA THR 67 -1.589 0.745 5.438 492 HB THR 67 HB THR 67 -0.053 2.741 7.095 493 HG1 THR 67 HG1 THR 67 -1.688 2.321 8.680 494 1HG2 THR 67 HG21 THR 67 -1.851 4.149 6.950 495 2HG2 THR 67 HG22 THR 67 -2.975 2.845 6.563 496 3HG2 THR 67 HG23 THR 67 -1.840 3.421 5.343 497 H LEU 68 HN LEU 68 -1.355 1.353 3.378 498 HA LEU 68 HA LEU 68 1.281 2.225 2.470 499 1HB LEU 68 HB2 LEU 68 -0.813 0.670 1.358 500 2HB LEU 68 HB1 LEU 68 -0.609 2.082 0.340 501 HG LEU 68 HG LEU 68 1.959 1.330 0.586 502 1HD1 LEU 68 HD11 LEU 68 0.286 -1.097 1.052 503 2HD1 LEU 68 HD12 LEU 68 1.781 -0.603 1.841 504 3HD1 LEU 68 HD13 LEU 68 1.818 -1.217 0.188 505 1HD2 LEU 68 HD21 LEU 68 -0.029 0.192 -1.369 506 2HD2 LEU 68 HD22 LEU 68 1.716 0.285 -1.601 507 3HD2 LEU 68 HD23 LEU 68 0.758 1.764 -1.492 508 H THR 69 HN THR 69 1.225 4.366 3.359 509 HA THR 69 HA THR 69 -0.775 6.186 2.262 510 HB THR 69 HB THR 69 1.441 6.802 4.215 511 HG1 THR 69 HG1 THR 69 0.104 6.259 5.797 512 1HG2 THR 69 HG21 THR 69 0.751 8.873 3.583 513 2HG2 THR 69 HG22 THR 69 -0.396 8.543 4.878 514 3HG2 THR 69 HG23 THR 69 -0.877 8.339 3.195 515 H PHE 70 HN PHE 70 -0.290 6.735 0.218 516 HA PHE 70 HA PHE 70 2.380 7.104 -0.722 517 1HB PHE 70 HB2 PHE 70 -0.313 7.810 -1.913 518 2HB PHE 70 HB1 PHE 70 1.206 7.976 -2.764 519 HD1 PHE 70 HD1 PHE 70 -0.774 5.399 -0.937 520 HD2 PHE 70 HD2 PHE 70 1.886 6.267 -4.137 521 HE1 PHE 70 HE1 PHE 70 -0.966 3.077 -1.723 522 HE2 PHE 70 HE2 PHE 70 1.704 3.947 -4.925 523 HZ PHE 70 HZ PHE 70 0.273 2.347 -3.722 524 H ASP 71 HN ASP 71 3.582 8.827 -0.173 525 HA ASP 71 HA ASP 71 2.451 11.183 0.939 526 1HB ASP 71 HB2 ASP 71 4.678 10.494 1.551 527 2HB ASP 71 HB1 ASP 71 5.220 10.642 -0.108 528 H PHE 72 HN PHE 72 1.002 11.911 -0.483 529 HA PHE 72 HA PHE 72 1.856 12.819 -3.114 530 1HB PHE 72 HB2 PHE 72 -0.648 12.024 -1.903 531 2HB PHE 72 HB1 PHE 72 -0.803 13.585 -2.702 532 HD1 PHE 72 HD1 PHE 72 -0.569 10.033 -3.138 533 HD2 PHE 72 HD2 PHE 72 -0.160 13.776 -5.117 534 HE1 PHE 72 HE1 PHE 72 -0.775 8.901 -5.312 535 HE2 PHE 72 HE2 PHE 72 -0.366 12.652 -7.295 536 HZ PHE 72 HZ PHE 72 -0.671 10.214 -7.393 537 H GLY 73 HN GLY 73 2.626 14.064 -0.441 538 1HA GLY 73 HA2 GLY 73 2.887 16.159 0.454 539 2HA GLY 73 HA1 GLY 73 2.807 16.710 -1.210 540 H VAL 74 HN VAL 74 0.059 15.036 -0.039 541 HA VAL 74 HA VAL 74 -1.370 17.599 0.213 542 HB VAL 74 HB VAL 74 -3.399 16.416 -0.476 543 1HG1 VAL 74 HG11 VAL 74 -1.473 17.329 -2.083 544 2HG1 VAL 74 HG12 VAL 74 -2.968 16.624 -2.692 545 3HG1 VAL 74 HG13 VAL 74 -1.504 15.646 -2.612 546 1HG2 VAL 74 HG21 VAL 74 -2.899 14.201 0.343 547 2HG2 VAL 74 HG22 VAL 74 -1.572 14.039 -0.802 548 3HG2 VAL 74 HG23 VAL 74 -3.236 14.125 -1.381 549 H GLY 75 HN GLY 75 -0.810 14.438 1.612 550 1HA GLY 75 HA2 GLY 75 -1.253 13.621 3.712 551 2HA GLY 75 HA1 GLY 75 -1.470 15.283 4.217 552 H THR 76 HN THR 76 -3.570 16.251 3.757 553 HA THR 76 HA THR 76 -5.664 14.935 4.912 554 HB THR 76 HB THR 76 -5.839 17.067 2.775 555 HG1 THR 76 HG1 THR 76 -4.909 18.176 4.292 556 1HG2 THR 76 HG21 THR 76 -7.992 17.530 3.365 557 2HG2 THR 76 HG22 THR 76 -7.833 16.796 4.962 558 3HG2 THR 76 HG23 THR 76 -7.984 15.774 3.529 559 H LYS 77 HN LYS 77 -5.450 15.502 1.394 560 HA LYS 77 HA LYS 77 -7.354 13.387 0.926 561 1HB LYS 77 HB2 LYS 77 -5.955 14.890 -1.246 562 2HB LYS 77 HB1 LYS 77 -7.576 14.208 -1.239 563 1HG LYS 77 HG2 LYS 77 -7.483 16.144 0.807 564 2HG LYS 77 HG1 LYS 77 -6.746 16.858 -0.623 565 1HD LYS 77 HD2 LYS 77 -9.443 15.505 -0.533 566 2HD LYS 77 HD1 LYS 77 -9.175 17.249 -0.528 567 1HE LYS 77 HE2 LYS 77 -7.755 15.994 -2.701 568 2HE LYS 77 HE1 LYS 77 -9.468 15.581 -2.751 569 1HZ LYS 77 HZ1 LYS 77 -8.212 18.014 -3.442 570 2HZ LYS 77 HZ2 LYS 77 -9.321 18.290 -2.195 571 3HZ LYS 77 HZ3 LYS 77 -9.831 17.564 -3.633 572 H ASN 78 HN ASN 78 -4.345 13.159 1.731 573 HA ASN 78 HA ASN 78 -3.042 11.783 -0.354 574 1HB ASN 78 HB2 ASN 78 -1.809 12.732 1.520 575 2HB ASN 78 HB1 ASN 78 -2.613 11.631 2.630 576 1HD2 ASN 78 HD21 ASN 78 0.201 11.955 2.158 577 2HD2 ASN 78 HD22 ASN 78 0.794 10.419 1.625 578 HA PRO 79 HA PRO 79 -5.664 8.114 -0.219 579 1HB PRO 79 HB2 PRO 79 -3.986 6.698 -1.933 580 2HB PRO 79 HB1 PRO 79 -5.360 7.683 -2.429 581 1HG PRO 79 HG2 PRO 79 -2.456 8.342 -2.409 582 2HG PRO 79 HG1 PRO 79 -3.713 8.838 -3.555 583 1HD PRO 79 HD2 PRO 79 -2.742 10.517 -1.694 584 2HD PRO 79 HD1 PRO 79 -4.443 10.563 -2.198 585 H LYS 80 HN LYS 80 -5.290 7.399 1.859 586 HA LYS 80 HA LYS 80 -2.772 6.045 2.449 587 1HB LYS 80 HB2 LYS 80 -4.930 6.066 4.474 588 2HB LYS 80 HB1 LYS 80 -3.212 6.373 4.657 589 1HG LYS 80 HG2 LYS 80 -5.005 8.377 3.339 590 2HG LYS 80 HG1 LYS 80 -4.847 8.290 5.092 591 1HD LYS 80 HD2 LYS 80 -2.325 8.418 4.690 592 2HD LYS 80 HD1 LYS 80 -2.740 8.926 3.051 593 1HE LYS 80 HE2 LYS 80 -3.894 10.849 3.856 594 2HE LYS 80 HE1 LYS 80 -3.801 10.279 5.523 595 1HZ LYS 80 HZ1 LYS 80 -1.351 10.814 3.967 596 2HZ LYS 80 HZ2 LYS 80 -1.551 10.761 5.645 597 3HZ LYS 80 HZ3 LYS 80 -2.162 12.067 4.761 598 H LEU 81 HN LEU 81 -2.584 3.900 2.214 599 HA LEU 81 HA LEU 81 -4.984 2.323 1.820 600 1HB LEU 81 HB2 LEU 81 -2.500 2.333 0.580 601 2HB LEU 81 HB1 LEU 81 -2.472 0.899 1.585 602 HG LEU 81 HG LEU 81 -4.384 1.547 -0.637 603 1HD1 LEU 81 HD11 LEU 81 -2.390 -0.653 -0.156 604 2HD1 LEU 81 HD12 LEU 81 -2.323 0.596 -1.391 605 3HD1 LEU 81 HD13 LEU 81 -3.565 -0.649 -1.470 606 1HD2 LEU 81 HD21 LEU 81 -5.675 0.631 1.203 607 2HD2 LEU 81 HD22 LEU 81 -4.538 -0.703 1.355 608 3HD2 LEU 81 HD23 LEU 81 -5.529 -0.547 -0.092 609 H THR 82 HN THR 82 -5.569 0.621 3.132 610 HA THR 82 HA THR 82 -3.900 0.287 5.532 611 HB THR 82 HB THR 82 -6.845 -0.283 5.558 612 HG1 THR 82 HG1 THR 82 -5.617 2.250 5.713 613 1HG2 THR 82 HG21 THR 82 -5.033 0.811 7.690 614 2HG2 THR 82 HG22 THR 82 -5.464 -0.886 7.509 615 3HG2 THR 82 HG23 THR 82 -6.711 0.301 7.874 616 H ILE 83 HN ILE 83 -2.759 -1.408 4.586 617 HA ILE 83 HA ILE 83 -4.275 -3.853 4.010 618 HB ILE 83 HB ILE 83 -2.783 -3.224 2.228 619 1HG1 ILE 83 HG12 ILE 83 -1.301 -5.444 3.601 620 2HG1 ILE 83 HG11 ILE 83 -2.966 -5.676 3.074 621 1HG2 ILE 83 HG21 ILE 83 -0.657 -3.145 4.342 622 2HG2 ILE 83 HG22 ILE 83 -1.229 -1.816 3.341 623 3HG2 ILE 83 HG23 ILE 83 -0.319 -3.140 2.615 624 1HD1 ILE 83 HD11 ILE 83 -1.240 -4.526 1.024 625 2HD1 ILE 83 HD12 ILE 83 -2.375 -5.875 0.937 626 3HD1 ILE 83 HD13 ILE 83 -0.747 -6.130 1.562 627 H THR 84 HN THR 84 -4.467 -5.247 5.622 628 HA THR 84 HA THR 84 -2.544 -5.190 7.805 629 HB THR 84 HB THR 84 -4.425 -5.364 8.986 630 HG1 THR 84 HG1 THR 84 -3.699 -7.534 9.132 631 1HG2 THR 84 HG21 THR 84 -5.941 -4.716 7.320 632 2HG2 THR 84 HG22 THR 84 -6.605 -6.180 8.048 633 3HG2 THR 84 HG23 THR 84 -5.796 -6.260 6.484 634 H VAL 85 HN VAL 85 -0.958 -6.573 7.940 635 HA VAL 85 HA VAL 85 -1.030 -9.021 6.336 636 HB VAL 85 HB VAL 85 1.513 -8.759 7.475 637 1HG1 VAL 85 HG11 VAL 85 0.516 -9.383 5.088 638 2HG1 VAL 85 HG12 VAL 85 2.207 -8.947 5.325 639 3HG1 VAL 85 HG13 VAL 85 1.059 -7.744 4.733 640 1HG2 VAL 85 HG21 VAL 85 1.028 -6.452 8.066 641 2HG2 VAL 85 HG22 VAL 85 0.553 -6.110 6.403 642 3HG2 VAL 85 HG23 VAL 85 2.226 -6.520 6.773 643 H LEU 86 HN LEU 86 -1.761 -10.728 7.431 644 HA LEU 86 HA LEU 86 -1.566 -10.922 10.287 645 1HB LEU 86 HB2 LEU 86 -2.258 -13.263 8.562 646 2HB LEU 86 HB1 LEU 86 -2.896 -12.814 10.131 647 HG LEU 86 HG LEU 86 -3.513 -10.949 7.926 648 1HD1 LEU 86 HD11 LEU 86 -3.742 -13.550 7.256 649 2HD1 LEU 86 HD12 LEU 86 -4.812 -12.281 6.664 650 3HD1 LEU 86 HD13 LEU 86 -5.302 -13.279 8.031 651 1HD2 LEU 86 HD21 LEU 86 -4.896 -10.272 9.521 652 2HD2 LEU 86 HD22 LEU 86 -4.486 -11.665 10.525 653 3HD2 LEU 86 HD23 LEU 86 -5.785 -11.786 9.339 654 HA PRO 87 HA PRO 87 2.101 -13.351 10.585 655 1HB PRO 87 HB2 PRO 87 1.607 -15.124 12.523 656 2HB PRO 87 HB1 PRO 87 1.613 -13.387 12.846 657 1HG PRO 87 HG2 PRO 87 -0.693 -15.240 12.488 658 2HG PRO 87 HG1 PRO 87 -0.505 -13.884 13.613 659 1HD PRO 87 HD2 PRO 87 -1.884 -13.792 11.204 660 2HD PRO 87 HD1 PRO 87 -1.271 -12.381 12.084 661 H LYS 88 HN LYS 88 3.118 -15.507 10.472 662 HA LYS 88 HA LYS 88 2.163 -16.978 8.261 663 1HB LYS 88 HB2 LYS 88 4.516 -16.925 9.905 664 2HB LYS 88 HB1 LYS 88 4.003 -18.588 9.671 665 1HG LYS 88 HG2 LYS 88 4.420 -18.550 7.433 666 2HG LYS 88 HG1 LYS 88 4.106 -16.818 7.290 667 1HD LYS 88 HD2 LYS 88 6.226 -16.343 8.416 668 2HD LYS 88 HD1 LYS 88 6.539 -18.074 8.560 669 1HE LYS 88 HE2 LYS 88 6.903 -18.328 6.286 670 2HE LYS 88 HE1 LYS 88 6.004 -16.867 5.878 671 1HZ LYS 88 HZ1 LYS 88 8.638 -16.967 5.874 672 2HZ LYS 88 HZ2 LYS 88 8.408 -16.528 7.491 673 3HZ LYS 88 HZ3 LYS 88 7.789 -15.554 6.253 674 H ASP 89 HN ASP 89 1.918 -19.393 8.322 675 HA ASP 89 HA ASP 89 -0.014 -20.068 10.417 676 1HB ASP 89 HB2 ASP 89 -0.194 -20.326 7.709 677 2HB ASP 89 HB1 ASP 89 0.340 -21.938 8.165 678 H ILE 90 HN ILE 90 -0.011 -22.770 10.407 679 HA ILE 90 HA ILE 90 2.701 -23.705 10.887 680 HB ILE 90 HB ILE 90 0.662 -24.050 13.071 681 1HG1 ILE 90 HG12 ILE 90 2.102 -22.259 14.254 682 2HG1 ILE 90 HG11 ILE 90 2.619 -21.804 12.634 683 1HG2 ILE 90 HG21 ILE 90 3.659 -24.339 12.955 684 2HG2 ILE 90 HG22 ILE 90 2.471 -25.635 13.089 685 3HG2 ILE 90 HG23 ILE 90 2.690 -24.498 14.418 686 1HD1 ILE 90 HD11 ILE 90 0.830 -20.522 12.475 687 2HD1 ILE 90 HD12 ILE 90 0.240 -21.097 14.035 688 3HD1 ILE 90 HD13 ILE 90 -0.178 -21.964 12.560 689 HA PRO 91 HA PRO 91 0.843 -27.345 9.160 690 1HB PRO 91 HB2 PRO 91 2.853 -29.095 9.655 691 2HB PRO 91 HB1 PRO 91 2.950 -27.862 8.392 692 1HG PRO 91 HG2 PRO 91 4.100 -27.835 11.156 693 2HG PRO 91 HG1 PRO 91 4.845 -27.328 9.627 694 1HD PRO 91 HD2 PRO 91 3.782 -25.566 11.394 695 2HD PRO 91 HD1 PRO 91 3.782 -25.284 9.641 696 H GLY 92 HN GLY 92 -0.085 -29.327 9.797 697 1HA GLY 92 HA2 GLY 92 0.192 -30.854 11.986 698 2HA GLY 92 HA1 GLY 92 -0.664 -29.469 12.640 699 H LEU 93 HN LEU 93 -2.182 -29.018 10.181 700 HA LEU 93 HA LEU 93 -3.686 -31.394 9.632 701 1HB LEU 93 HB2 LEU 93 -4.510 -30.744 11.898 702 2HB LEU 93 HB1 LEU 93 -5.048 -29.217 11.221 703 HG LEU 93 HG LEU 93 -6.102 -31.481 9.734 704 1HD1 LEU 93 HD11 LEU 93 -7.490 -32.454 11.365 705 2HD1 LEU 93 HD12 LEU 93 -7.061 -31.240 12.571 706 3HD1 LEU 93 HD13 LEU 93 -5.871 -32.443 12.068 707 1HD2 LEU 93 HD21 LEU 93 -7.244 -29.090 11.158 708 2HD2 LEU 93 HD22 LEU 93 -8.242 -30.268 10.306 709 3HD2 LEU 93 HD23 LEU 93 -7.038 -29.331 9.423 710 H GLU 94 HN GLU 94 -3.393 -30.907 7.485 711 HA GLU 94 HA GLU 94 -5.258 -29.114 6.311 712 1HB GLU 94 HB2 GLU 94 -2.566 -28.131 6.829 713 2HB GLU 94 HB1 GLU 94 -2.980 -28.062 5.121 714 1HG GLU 94 HG2 GLU 94 -4.761 -26.950 7.265 715 2HG GLU 94 HG1 GLU 94 -3.483 -26.006 6.496 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -6.423 22.161 -1.294 2 2H MET 1 HT2 MET 1 -6.762 20.934 -2.445 3 3H MET 1 HT3 MET 1 -7.173 22.567 -2.781 4 HA MET 1 HA MET 1 -5.068 23.185 -3.185 5 1HB MET 1 HB2 MET 1 -4.569 21.338 -1.031 6 2HB MET 1 HB1 MET 1 -3.417 21.060 -2.330 7 1HG MET 1 HG2 MET 1 -3.942 23.800 -1.234 8 2HG MET 1 HG1 MET 1 -2.765 22.708 -0.508 9 1HE MET 1 HE1 MET 1 -2.477 25.249 -4.186 10 2HE MET 1 HE2 MET 1 -3.904 24.858 -3.226 11 3HE MET 1 HE3 MET 1 -3.420 23.805 -4.555 12 H GLN 2 HN GLN 2 -4.583 19.682 -3.067 13 HA GLN 2 HA GLN 2 -4.380 19.685 -5.996 14 1HB GLN 2 HB2 GLN 2 -3.509 17.353 -4.347 15 2HB GLN 2 HB1 GLN 2 -2.843 17.966 -5.853 16 1HG GLN 2 HG2 GLN 2 -2.218 20.023 -4.309 17 2HG GLN 2 HG1 GLN 2 -2.292 18.783 -3.059 18 1HE2 GLN 2 HE21 GLN 2 -1.350 16.601 -4.434 19 2HE2 GLN 2 HE22 GLN 2 0.301 16.854 -4.853 20 H ASP 3 HN ASP 3 -5.073 17.621 -7.072 21 HA ASP 3 HA ASP 3 -7.467 16.497 -5.792 22 1HB ASP 3 HB2 ASP 3 -7.359 18.114 -8.127 23 2HB ASP 3 HB1 ASP 3 -7.819 16.488 -8.611 24 HA PRO 4 HA PRO 4 -4.720 13.142 -7.496 25 1HB PRO 4 HB2 PRO 4 -3.687 12.149 -5.247 26 2HB PRO 4 HB1 PRO 4 -3.014 13.604 -5.989 27 1HG PRO 4 HG2 PRO 4 -4.814 13.344 -3.625 28 2HG PRO 4 HG1 PRO 4 -3.461 14.458 -3.890 29 1HD PRO 4 HD2 PRO 4 -6.160 15.074 -4.232 30 2HD PRO 4 HD1 PRO 4 -4.801 15.992 -4.899 31 H THR 5 HN THR 5 -5.154 10.911 -7.499 32 HA THR 5 HA THR 5 -7.261 10.001 -5.677 33 HB THR 5 HB THR 5 -7.555 10.449 -8.529 34 HG1 THR 5 HG1 THR 5 -9.770 10.065 -7.896 35 1HG2 THR 5 HG21 THR 5 -8.705 8.459 -9.165 36 2HG2 THR 5 HG22 THR 5 -8.449 7.740 -7.576 37 3HG2 THR 5 HG23 THR 5 -7.078 8.012 -8.653 38 H ILE 6 HN ILE 6 -7.556 7.615 -5.742 39 HA ILE 6 HA ILE 6 -5.336 6.055 -6.748 40 HB ILE 6 HB ILE 6 -4.568 6.973 -4.528 41 1HG1 ILE 6 HG12 ILE 6 -4.747 4.027 -4.206 42 2HG1 ILE 6 HG11 ILE 6 -4.046 4.624 -5.706 43 1HG2 ILE 6 HG21 ILE 6 -6.639 6.929 -3.302 44 2HG2 ILE 6 HG22 ILE 6 -5.488 5.850 -2.511 45 3HG2 ILE 6 HG23 ILE 6 -6.773 5.181 -3.517 46 1HD1 ILE 6 HD11 ILE 6 -2.149 4.543 -4.509 47 2HD1 ILE 6 HD12 ILE 6 -2.988 4.669 -2.965 48 3HD1 ILE 6 HD13 ILE 6 -2.693 6.115 -3.929 49 H ASN 7 HN ASN 7 -5.651 3.731 -6.359 50 HA ASN 7 HA ASN 7 -8.311 2.986 -6.845 51 1HB ASN 7 HB2 ASN 7 -7.262 0.599 -6.352 52 2HB ASN 7 HB1 ASN 7 -7.018 1.458 -7.857 53 1HD2 ASN 7 HD21 ASN 7 -5.490 2.463 -4.879 54 2HD2 ASN 7 HD22 ASN 7 -3.885 2.019 -5.332 55 HA PRO 8 HA PRO 8 -9.448 1.735 -2.836 56 1HB PRO 8 HB2 PRO 8 -8.599 -0.483 -1.758 57 2HB PRO 8 HB1 PRO 8 -9.333 -0.526 -3.342 58 1HG PRO 8 HG2 PRO 8 -6.494 -0.835 -2.562 59 2HG PRO 8 HG1 PRO 8 -7.345 -1.473 -3.979 60 1HD PRO 8 HD2 PRO 8 -5.757 0.924 -3.773 61 2HD PRO 8 HD1 PRO 8 -6.561 0.249 -5.195 62 H THR 9 HN THR 9 -8.949 0.957 -0.353 63 HA THR 9 HA THR 9 -6.485 2.149 0.617 64 HB THR 9 HB THR 9 -9.224 3.238 1.263 65 HG1 THR 9 HG1 THR 9 -6.893 4.584 0.395 66 1HG2 THR 9 HG21 THR 9 -8.454 3.569 3.337 67 2HG2 THR 9 HG22 THR 9 -7.549 4.882 2.587 68 3HG2 THR 9 HG23 THR 9 -6.771 3.325 2.869 69 H SER 10 HN SER 10 -8.462 -0.390 0.701 70 HA SER 10 HA SER 10 -7.607 -1.103 3.384 71 1HB SER 10 HB2 SER 10 -9.975 -0.005 3.401 72 2HB SER 10 HB1 SER 10 -10.500 -1.558 2.750 73 HG SER 10 HG SER 10 -10.592 -1.972 4.838 74 H ILE 11 HN ILE 11 -7.062 -3.154 3.568 75 HA ILE 11 HA ILE 11 -8.269 -5.272 2.067 76 HB ILE 11 HB ILE 11 -6.886 -4.689 0.261 77 1HG1 ILE 11 HG12 ILE 11 -5.338 -6.733 1.864 78 2HG1 ILE 11 HG11 ILE 11 -6.721 -7.071 0.825 79 1HG2 ILE 11 HG21 ILE 11 -4.251 -4.581 1.161 80 2HG2 ILE 11 HG22 ILE 11 -5.183 -3.615 2.303 81 3HG2 ILE 11 HG23 ILE 11 -5.242 -3.244 0.582 82 1HD1 ILE 11 HD11 ILE 11 -4.304 -5.742 -0.304 83 2HD1 ILE 11 HD12 ILE 11 -5.515 -6.747 -1.100 84 3HD1 ILE 11 HD13 ILE 11 -4.319 -7.486 -0.039 85 H SER 12 HN SER 12 -7.395 -7.397 2.710 86 HA SER 12 HA SER 12 -5.538 -7.421 4.934 87 1HB SER 12 HB2 SER 12 -7.768 -8.964 5.820 88 2HB SER 12 HB1 SER 12 -7.016 -7.571 6.591 89 HG SER 12 HG SER 12 -8.445 -6.239 5.618 90 H ALA 13 HN ALA 13 -4.432 -9.252 5.085 91 HA ALA 13 HA ALA 13 -5.345 -11.803 4.320 92 1HB ALA 13 HB1 ALA 13 -4.726 -10.348 2.118 93 2HB ALA 13 HB2 ALA 13 -4.602 -12.105 2.218 94 3HB ALA 13 HB3 ALA 13 -3.172 -11.103 2.469 95 H LYS 14 HN LYS 14 -3.489 -13.374 4.283 96 HA LYS 14 HA LYS 14 -1.869 -12.933 6.586 97 1HB LYS 14 HB2 LYS 14 -2.733 -15.161 5.174 98 2HB LYS 14 HB1 LYS 14 -1.003 -15.131 4.872 99 1HG LYS 14 HG2 LYS 14 -1.012 -16.364 6.773 100 2HG LYS 14 HG1 LYS 14 -0.926 -14.756 7.493 101 1HD LYS 14 HD2 LYS 14 -3.497 -14.848 7.501 102 2HD LYS 14 HD1 LYS 14 -3.294 -16.581 7.242 103 1HE LYS 14 HE2 LYS 14 -2.255 -14.950 9.554 104 2HE LYS 14 HE1 LYS 14 -3.538 -16.158 9.600 105 1HZ LYS 14 HZ1 LYS 14 -1.132 -17.230 8.520 106 2HZ LYS 14 HZ2 LYS 14 -2.053 -17.772 9.833 107 3HZ LYS 14 HZ3 LYS 14 -0.868 -16.585 10.062 108 H ALA 15 HN ALA 15 0.265 -12.335 6.722 109 HA ALA 15 HA ALA 15 1.366 -10.876 4.637 110 1HB ALA 15 HB1 ALA 15 2.980 -12.166 6.839 111 2HB ALA 15 HB2 ALA 15 2.040 -10.688 7.048 112 3HB ALA 15 HB3 ALA 15 3.394 -10.722 5.914 113 H GLY 16 HN GLY 16 1.622 -11.685 2.764 114 1HA GLY 16 HA2 GLY 16 3.533 -12.850 1.550 115 2HA GLY 16 HA1 GLY 16 2.993 -14.263 2.453 116 H SER 17 HN SER 17 0.189 -13.643 2.334 117 HA SER 17 HA SER 17 -0.413 -14.821 -0.170 118 1HB SER 17 HB2 SER 17 -2.732 -13.673 0.953 119 2HB SER 17 HB1 SER 17 -2.217 -15.351 1.034 120 HG SER 17 HG SER 17 -1.158 -14.907 2.946 121 H PHE 18 HN PHE 18 0.726 -11.910 0.314 122 HA PHE 18 HA PHE 18 -1.139 -10.430 -1.332 123 1HB PHE 18 HB2 PHE 18 1.279 -9.656 0.268 124 2HB PHE 18 HB1 PHE 18 0.381 -8.546 -0.726 125 HD1 PHE 18 HD1 PHE 18 0.899 -9.226 2.481 126 HD2 PHE 18 HD2 PHE 18 -2.362 -9.060 -0.237 127 HE1 PHE 18 HE1 PHE 18 -0.634 -8.820 4.357 128 HE2 PHE 18 HE2 PHE 18 -3.906 -8.652 1.630 129 HZ PHE 18 HZ PHE 18 -3.035 -8.536 3.932 130 H ALA 19 HN ALA 19 -0.629 -11.672 -3.217 131 HA ALA 19 HA ALA 19 1.997 -11.821 -4.271 132 1HB ALA 19 HB1 ALA 19 -0.537 -12.810 -4.974 133 2HB ALA 19 HB2 ALA 19 1.015 -13.206 -5.703 134 3HB ALA 19 HB3 ALA 19 0.044 -11.893 -6.363 135 H ASP 20 HN ASP 20 2.967 -10.632 -5.938 136 HA ASP 20 HA ASP 20 3.074 -7.977 -5.860 137 1HB ASP 20 HB2 ASP 20 4.457 -9.420 -7.348 138 2HB ASP 20 HB1 ASP 20 3.115 -9.472 -8.485 139 H THR 21 HN THR 21 1.679 -6.351 -6.006 140 HA THR 21 HA THR 21 -0.495 -6.566 -7.956 141 HB THR 21 HB THR 21 -0.709 -6.160 -5.019 142 HG1 THR 21 HG1 THR 21 -2.140 -7.670 -5.265 143 1HG2 THR 21 HG21 THR 21 -1.536 -4.009 -5.879 144 2HG2 THR 21 HG22 THR 21 -2.809 -4.992 -5.155 145 3HG2 THR 21 HG23 THR 21 -2.669 -4.881 -6.909 146 H LYS 22 HN LYS 22 -0.851 -4.800 -9.103 147 HA LYS 22 HA LYS 22 0.836 -2.519 -8.612 148 1HB LYS 22 HB2 LYS 22 1.025 -3.432 -10.816 149 2HB LYS 22 HB1 LYS 22 -0.709 -3.375 -11.030 150 1HG LYS 22 HG2 LYS 22 0.760 -0.845 -10.500 151 2HG LYS 22 HG1 LYS 22 0.812 -1.563 -12.112 152 1HD LYS 22 HD2 LYS 22 -1.876 -1.529 -11.061 153 2HD LYS 22 HD1 LYS 22 -1.172 0.083 -11.072 154 1HE LYS 22 HE2 LYS 22 -0.412 -0.871 -13.510 155 2HE LYS 22 HE1 LYS 22 -1.987 -1.634 -13.300 156 1HZ LYS 22 HZ1 LYS 22 -2.288 0.996 -12.518 157 2HZ LYS 22 HZ2 LYS 22 -2.887 0.272 -13.923 158 3HZ LYS 22 HZ3 LYS 22 -1.386 1.047 -13.948 159 H ILE 23 HN ILE 23 0.115 -0.481 -8.388 160 HA ILE 23 HA ILE 23 -2.766 -0.115 -8.008 161 HB ILE 23 HB ILE 23 -0.474 0.660 -6.357 162 1HG1 ILE 23 HG12 ILE 23 -3.368 0.011 -5.870 163 2HG1 ILE 23 HG11 ILE 23 -1.969 -0.994 -5.529 164 1HG2 ILE 23 HG21 ILE 23 -1.744 2.594 -5.385 165 2HG2 ILE 23 HG22 ILE 23 -2.784 2.524 -6.807 166 3HG2 ILE 23 HG23 ILE 23 -1.063 2.869 -6.988 167 1HD1 ILE 23 HD11 ILE 23 -3.090 0.145 -3.567 168 2HD1 ILE 23 HD12 ILE 23 -2.383 1.640 -4.174 169 3HD1 ILE 23 HD13 ILE 23 -1.340 0.301 -3.694 170 H THR 24 HN THR 24 -3.606 2.022 -8.492 171 HA THR 24 HA THR 24 -1.944 3.456 -10.458 172 HB THR 24 HB THR 24 -4.957 3.318 -10.545 173 HG1 THR 24 HG1 THR 24 -3.970 1.215 -10.775 174 1HG2 THR 24 HG21 THR 24 -3.860 5.120 -11.834 175 2HG2 THR 24 HG22 THR 24 -4.737 3.963 -12.835 176 3HG2 THR 24 HG23 THR 24 -2.978 3.888 -12.736 177 H LEU 25 HN LEU 25 -1.255 5.230 -9.425 178 HA LEU 25 HA LEU 25 -3.053 6.684 -7.646 179 1HB LEU 25 HB2 LEU 25 -0.188 6.312 -7.934 180 2HB LEU 25 HB1 LEU 25 -0.629 7.992 -7.724 181 HG LEU 25 HG LEU 25 -1.632 5.846 -5.873 182 1HD1 LEU 25 HD11 LEU 25 0.574 5.554 -5.433 183 2HD1 LEU 25 HD12 LEU 25 0.263 6.944 -4.395 184 3HD1 LEU 25 HD13 LEU 25 1.016 7.173 -5.972 185 1HD2 LEU 25 HD21 LEU 25 -2.833 7.576 -5.148 186 2HD2 LEU 25 HD22 LEU 25 -1.898 8.730 -6.096 187 3HD2 LEU 25 HD23 LEU 25 -1.322 8.223 -4.509 188 H THR 26 HN THR 26 -4.343 8.107 -8.619 189 HA THR 26 HA THR 26 -3.806 9.269 -11.148 190 HB THR 26 HB THR 26 -5.841 9.941 -9.026 191 HG1 THR 26 HG1 THR 26 -5.952 8.462 -11.435 192 1HG2 THR 26 HG21 THR 26 -5.976 11.892 -10.178 193 2HG2 THR 26 HG22 THR 26 -7.021 10.884 -11.183 194 3HG2 THR 26 HG23 THR 26 -5.350 11.186 -11.668 195 HA PRO 27 HA PRO 27 -1.320 12.620 -9.413 196 1HB PRO 27 HB2 PRO 27 0.294 12.894 -11.444 197 2HB PRO 27 HB1 PRO 27 0.285 11.355 -10.574 198 1HG PRO 27 HG2 PRO 27 -1.084 12.057 -13.147 199 2HG PRO 27 HG1 PRO 27 -0.087 10.645 -12.776 200 1HD PRO 27 HD2 PRO 27 -2.847 10.692 -12.636 201 2HD PRO 27 HD1 PRO 27 -1.812 9.539 -11.772 202 H ASN 28 HN ASN 28 -3.678 12.638 -11.658 203 HA ASN 28 HA ASN 28 -3.641 14.555 -13.394 204 1HB ASN 28 HB2 ASN 28 -5.615 13.075 -12.535 205 2HB ASN 28 HB1 ASN 28 -6.020 14.501 -11.585 206 1HD2 ASN 28 HD21 ASN 28 -7.990 14.246 -12.957 207 2HD2 ASN 28 HD22 ASN 28 -8.006 15.066 -14.476 208 H GLY 29 HN GLY 29 -2.001 15.796 -12.278 209 1HA GLY 29 HA2 GLY 29 -1.774 18.205 -12.011 210 2HA GLY 29 HA1 GLY 29 -3.211 18.166 -11.005 211 H ASN 30 HN ASN 30 -2.106 15.663 -9.739 212 HA ASN 30 HA ASN 30 -0.417 17.015 -7.768 213 1HB ASN 30 HB2 ASN 30 -1.355 14.295 -7.185 214 2HB ASN 30 HB1 ASN 30 -1.394 15.738 -6.182 215 1HD2 ASN 30 HD21 ASN 30 -2.986 14.156 -8.906 216 2HD2 ASN 30 HD22 ASN 30 -4.547 14.834 -8.615 217 H THR 31 HN THR 31 1.223 15.579 -6.690 218 HA THR 31 HA THR 31 2.523 13.801 -8.635 219 HB THR 31 HB THR 31 3.757 15.854 -8.724 220 HG1 THR 31 HG1 THR 31 5.209 14.206 -6.946 221 1HG2 THR 31 HG21 THR 31 4.180 15.741 -5.755 222 2HG2 THR 31 HG22 THR 31 2.954 16.753 -6.524 223 3HG2 THR 31 HG23 THR 31 4.663 17.012 -6.879 224 H PHE 32 HN PHE 32 3.994 12.256 -7.686 225 HA PHE 32 HA PHE 32 3.278 11.572 -4.912 226 1HB PHE 32 HB2 PHE 32 2.342 9.977 -6.516 227 2HB PHE 32 HB1 PHE 32 3.941 9.715 -7.205 228 HD1 PHE 32 HD1 PHE 32 4.136 7.405 -6.823 229 HD2 PHE 32 HD2 PHE 32 3.194 10.020 -3.602 230 HE1 PHE 32 HE1 PHE 32 4.530 5.574 -5.227 231 HE2 PHE 32 HE2 PHE 32 3.590 8.193 -2.003 232 HZ PHE 32 HZ PHE 32 4.258 5.972 -2.815 233 H ASN 33 HN ASN 33 4.886 11.184 -3.486 234 HA ASN 33 HA ASN 33 7.633 11.495 -4.476 235 1HB ASN 33 HB2 ASN 33 6.302 12.760 -2.399 236 2HB ASN 33 HB1 ASN 33 7.288 11.554 -1.577 237 1HD2 ASN 33 HD21 ASN 33 7.294 14.633 -2.264 238 2HD2 ASN 33 HD22 ASN 33 8.968 14.922 -2.573 239 H GLY 34 HN GLY 34 5.579 9.448 -2.463 240 1HA GLY 34 HA2 GLY 34 6.392 7.005 -2.956 241 2HA GLY 34 HA1 GLY 34 7.795 7.571 -2.067 242 H ILE 35 HN ILE 35 6.468 5.413 -1.115 243 HA ILE 35 HA ILE 35 4.762 6.411 1.049 244 HB ILE 35 HB ILE 35 5.227 3.510 0.559 245 1HG1 ILE 35 HG12 ILE 35 3.199 5.173 -0.945 246 2HG1 ILE 35 HG11 ILE 35 4.680 4.525 -1.645 247 1HG2 ILE 35 HG21 ILE 35 2.545 4.479 1.154 248 2HG2 ILE 35 HG22 ILE 35 3.741 4.916 2.372 249 3HG2 ILE 35 HG23 ILE 35 3.497 3.223 1.944 250 1HD1 ILE 35 HD11 ILE 35 3.303 2.871 -2.288 251 2HD1 ILE 35 HD12 ILE 35 2.149 3.182 -0.990 252 3HD1 ILE 35 HD13 ILE 35 3.621 2.270 -0.663 253 H SER 36 HN SER 36 6.271 7.177 2.476 254 HA SER 36 HA SER 36 8.642 5.779 3.214 255 1HB SER 36 HB2 SER 36 8.828 7.392 5.029 256 2HB SER 36 HB1 SER 36 8.305 8.234 3.570 257 HG SER 36 HG SER 36 6.357 8.543 4.423 258 H GLU 37 HN GLU 37 5.334 5.556 4.191 259 HA GLU 37 HA GLU 37 5.536 4.361 6.682 260 1HB GLU 37 HB2 GLU 37 3.523 4.908 4.950 261 2HB GLU 37 HB1 GLU 37 3.631 3.172 4.756 262 1HG GLU 37 HG2 GLU 37 2.901 2.748 6.876 263 2HG GLU 37 HG1 GLU 37 3.527 4.273 7.508 264 H LEU 38 HN LEU 38 6.330 3.300 3.514 265 HA LEU 38 HA LEU 38 7.663 0.948 4.524 266 1HB LEU 38 HB2 LEU 38 6.626 -0.215 2.377 267 2HB LEU 38 HB1 LEU 38 5.847 -0.294 3.943 268 HG LEU 38 HG LEU 38 4.973 2.043 2.498 269 1HD1 LEU 38 HD11 LEU 38 3.750 0.906 0.718 270 2HD1 LEU 38 HD12 LEU 38 4.543 -0.606 1.135 271 3HD1 LEU 38 HD13 LEU 38 5.491 0.738 0.511 272 1HD2 LEU 38 HD21 LEU 38 2.847 0.303 2.801 273 2HD2 LEU 38 HD22 LEU 38 3.354 1.546 3.941 274 3HD2 LEU 38 HD23 LEU 38 3.928 -0.103 4.133 275 H GLN 39 HN GLN 39 9.595 1.796 3.935 276 HA GLN 39 HA GLN 39 10.523 3.398 2.144 277 1HB GLN 39 HB2 GLN 39 12.567 1.901 1.888 278 2HB GLN 39 HB1 GLN 39 12.112 2.351 3.526 279 1HG GLN 39 HG2 GLN 39 11.766 0.239 4.125 280 2HG GLN 39 HG1 GLN 39 10.858 -0.116 2.656 281 1HE2 GLN 39 HE21 GLN 39 11.779 -1.351 1.164 282 2HE2 GLN 39 HE22 GLN 39 13.442 -1.818 1.133 283 H SER 40 HN SER 40 9.313 3.543 0.496 284 HA SER 40 HA SER 40 8.110 2.459 -1.399 285 1HB SER 40 HB2 SER 40 9.267 3.722 -3.195 286 2HB SER 40 HB1 SER 40 8.974 4.686 -1.750 287 HG SER 40 HG SER 40 11.220 3.967 -1.177 288 H SER 41 HN SER 41 11.554 1.733 -1.151 289 HA SER 41 HA SER 41 11.932 0.222 -3.419 290 1HB SER 41 HB2 SER 41 13.328 0.627 -1.016 291 2HB SER 41 HB1 SER 41 13.154 -1.118 -1.162 292 HG SER 41 HG SER 41 15.014 0.058 -2.248 293 H GLN 42 HN GLN 42 9.957 -0.501 -0.694 294 HA GLN 42 HA GLN 42 9.800 -3.274 -0.802 295 1HB GLN 42 HB2 GLN 42 8.206 -2.988 0.762 296 2HB GLN 42 HB1 GLN 42 8.810 -1.356 0.780 297 1HG GLN 42 HG2 GLN 42 6.663 -0.822 0.566 298 2HG GLN 42 HG1 GLN 42 6.926 -1.163 -1.130 299 1HE2 GLN 42 HE21 GLN 42 5.939 -2.879 -2.062 300 2HE2 GLN 42 HE22 GLN 42 4.840 -3.925 -1.238 301 H TYR 43 HN TYR 43 8.321 -0.813 -2.699 302 HA TYR 43 HA TYR 43 6.946 -2.843 -4.323 303 1HB TYR 43 HB2 TYR 43 5.336 -1.050 -4.950 304 2HB TYR 43 HB1 TYR 43 5.290 -1.481 -3.248 305 HD1 TYR 43 HD1 TYR 43 6.837 1.008 -5.558 306 HD2 TYR 43 HD2 TYR 43 5.338 0.188 -1.661 307 HE1 TYR 43 HE1 TYR 43 7.113 3.379 -4.956 308 HE2 TYR 43 HE2 TYR 43 5.617 2.554 -1.051 309 HH TYR 43 HH TYR 43 6.507 4.973 -3.425 310 H THR 44 HN THR 44 6.283 -1.393 -6.438 311 HA THR 44 HA THR 44 8.799 -0.504 -7.623 312 HB THR 44 HB THR 44 6.634 -2.103 -9.008 313 HG1 THR 44 HG1 THR 44 8.264 -3.759 -8.986 314 1HG2 THR 44 HG21 THR 44 8.253 -0.508 -10.309 315 2HG2 THR 44 HG22 THR 44 7.888 -2.124 -10.912 316 3HG2 THR 44 HG23 THR 44 9.399 -1.824 -10.054 317 H LYS 45 HN LYS 45 8.287 1.588 -7.308 318 HA LYS 45 HA LYS 45 5.818 2.789 -7.959 319 1HB LYS 45 HB2 LYS 45 7.738 4.801 -8.139 320 2HB LYS 45 HB1 LYS 45 6.768 4.403 -6.738 321 1HG LYS 45 HG2 LYS 45 8.543 2.897 -5.958 322 2HG LYS 45 HG1 LYS 45 9.506 3.316 -7.378 323 1HD LYS 45 HD2 LYS 45 8.517 5.374 -5.418 324 2HD LYS 45 HD1 LYS 45 10.065 4.545 -5.233 325 1HE LYS 45 HE2 LYS 45 10.929 5.489 -7.197 326 2HE LYS 45 HE1 LYS 45 9.332 5.967 -7.772 327 1HZ LYS 45 HZ1 LYS 45 11.137 7.502 -6.331 328 2HZ LYS 45 HZ2 LYS 45 9.849 7.184 -5.280 329 3HZ LYS 45 HZ3 LYS 45 9.557 7.916 -6.777 330 H GLY 46 HN GLY 46 5.133 3.870 -9.719 331 1HA GLY 46 HA2 GLY 46 6.905 4.175 -12.016 332 2HA GLY 46 HA1 GLY 46 5.489 3.152 -12.224 333 H THR 47 HN THR 47 6.538 6.402 -11.355 334 HA THR 47 HA THR 47 5.021 8.248 -11.020 335 HB THR 47 HB THR 47 5.519 7.906 -13.980 336 HG1 THR 47 HG1 THR 47 7.151 8.862 -11.882 337 1HG2 THR 47 HG21 THR 47 4.709 10.224 -12.318 338 2HG2 THR 47 HG22 THR 47 4.261 9.797 -13.968 339 3HG2 THR 47 HG23 THR 47 5.848 10.489 -13.637 340 H ASN 48 HN ASN 48 2.950 8.200 -10.474 341 HA ASN 48 HA ASN 48 0.696 8.476 -10.871 342 1HB ASN 48 HB2 ASN 48 0.929 7.095 -13.532 343 2HB ASN 48 HB1 ASN 48 -0.299 8.225 -12.986 344 1HD2 ASN 48 HD21 ASN 48 1.125 8.430 -15.400 345 2HD2 ASN 48 HD22 ASN 48 2.068 9.875 -15.342 346 H GLU 49 HN GLU 49 2.523 5.658 -10.998 347 HA GLU 49 HA GLU 49 0.293 4.140 -9.898 348 1HB GLU 49 HB2 GLU 49 1.827 3.403 -12.363 349 2HB GLU 49 HB1 GLU 49 1.180 2.141 -11.325 350 1HG GLU 49 HG2 GLU 49 -0.890 2.443 -12.069 351 2HG GLU 49 HG1 GLU 49 -0.769 4.197 -11.958 352 H VAL 50 HN VAL 50 1.021 2.090 -8.886 353 HA VAL 50 HA VAL 50 3.833 1.797 -8.292 354 HB VAL 50 HB VAL 50 2.346 1.996 -5.771 355 1HG1 VAL 50 HG11 VAL 50 4.942 1.836 -6.491 356 2HG1 VAL 50 HG12 VAL 50 4.383 2.450 -4.937 357 3HG1 VAL 50 HG13 VAL 50 4.785 3.573 -6.235 358 1HG2 VAL 50 HG21 VAL 50 2.896 4.509 -7.354 359 2HG2 VAL 50 HG22 VAL 50 2.405 4.445 -5.659 360 3HG2 VAL 50 HG23 VAL 50 1.306 3.880 -6.918 361 H THR 51 HN THR 51 4.225 -0.329 -8.122 362 HA THR 51 HA THR 51 1.969 -2.064 -7.352 363 HB THR 51 HB THR 51 4.335 -2.781 -9.088 364 HG1 THR 51 HG1 THR 51 3.057 -1.369 -10.220 365 1HG2 THR 51 HG21 THR 51 3.541 -4.856 -9.310 366 2HG2 THR 51 HG22 THR 51 1.859 -4.329 -9.281 367 3HG2 THR 51 HG23 THR 51 2.748 -4.525 -7.771 368 H LEU 52 HN LEU 52 2.141 -3.187 -5.538 369 HA LEU 52 HA LEU 52 4.677 -3.199 -4.134 370 1HB LEU 52 HB2 LEU 52 3.054 -4.818 -2.631 371 2HB LEU 52 HB1 LEU 52 3.322 -3.117 -2.391 372 HG LEU 52 HG LEU 52 0.972 -3.724 -2.256 373 1HD1 LEU 52 HD11 LEU 52 0.701 -1.611 -2.848 374 2HD1 LEU 52 HD12 LEU 52 0.488 -2.158 -4.511 375 3HD1 LEU 52 HD13 LEU 52 2.086 -1.676 -3.937 376 1HD2 LEU 52 HD21 LEU 52 0.316 -5.363 -3.607 377 2HD2 LEU 52 HD22 LEU 52 1.570 -5.025 -4.792 378 3HD2 LEU 52 HD23 LEU 52 0.076 -4.085 -4.797 379 H LEU 53 HN LEU 53 5.897 -4.990 -3.548 380 HA LEU 53 HA LEU 53 5.362 -7.333 -5.219 381 1HB LEU 53 HB2 LEU 53 7.948 -6.277 -4.089 382 2HB LEU 53 HB1 LEU 53 7.807 -7.825 -4.899 383 HG LEU 53 HG LEU 53 7.045 -5.241 -6.239 384 1HD1 LEU 53 HD11 LEU 53 9.169 -4.714 -6.614 385 2HD1 LEU 53 HD12 LEU 53 9.545 -6.355 -7.133 386 3HD1 LEU 53 HD13 LEU 53 9.620 -5.932 -5.423 387 1HD2 LEU 53 HD21 LEU 53 7.954 -7.058 -8.101 388 2HD2 LEU 53 HD22 LEU 53 6.267 -6.691 -7.742 389 3HD2 LEU 53 HD23 LEU 53 7.057 -8.057 -6.958 390 H ALA 54 HN ALA 54 4.604 -9.030 -4.253 391 HA ALA 54 HA ALA 54 4.114 -9.481 -1.624 392 1HB ALA 54 HB1 ALA 54 4.899 -11.839 -3.248 393 2HB ALA 54 HB2 ALA 54 3.556 -10.842 -3.806 394 3HB ALA 54 HB3 ALA 54 3.493 -11.594 -2.213 395 H SER 55 HN SER 55 7.227 -9.403 -2.978 396 HA SER 55 HA SER 55 8.465 -11.343 -1.313 397 1HB SER 55 HB2 SER 55 9.711 -8.964 -2.717 398 2HB SER 55 HB1 SER 55 10.587 -10.339 -2.042 399 HG SER 55 HG SER 55 8.761 -10.346 -4.210 400 H TYR 56 HN TYR 56 8.114 -7.832 -1.114 401 HA TYR 56 HA TYR 56 9.484 -7.684 1.412 402 1HB TYR 56 HB2 TYR 56 9.539 -5.725 0.030 403 2HB TYR 56 HB1 TYR 56 7.790 -5.712 -0.125 404 HD1 TYR 56 HD1 TYR 56 6.379 -5.059 1.800 405 HD2 TYR 56 HD2 TYR 56 10.620 -4.752 1.928 406 HE1 TYR 56 HE1 TYR 56 6.205 -3.559 3.740 407 HE2 TYR 56 HE2 TYR 56 10.458 -3.250 3.870 408 HH TYR 56 HH TYR 56 7.388 -2.005 4.979 409 H LEU 57 HN LEU 57 6.177 -7.187 0.321 410 HA LEU 57 HA LEU 57 4.920 -6.865 2.740 411 1HB LEU 57 HB2 LEU 57 4.122 -7.164 0.117 412 2HB LEU 57 HB1 LEU 57 3.382 -8.539 0.917 413 HG LEU 57 HG LEU 57 2.339 -7.025 2.540 414 1HD1 LEU 57 HD11 LEU 57 3.470 -5.093 2.806 415 2HD1 LEU 57 HD12 LEU 57 2.393 -4.532 1.526 416 3HD1 LEU 57 HD13 LEU 57 4.028 -5.064 1.132 417 1HD2 LEU 57 HD21 LEU 57 1.737 -7.232 -0.249 418 2HD2 LEU 57 HD22 LEU 57 1.231 -5.657 0.350 419 3HD2 LEU 57 HD23 LEU 57 0.634 -7.128 1.119 420 H ASN 58 HN ASN 58 5.794 -9.896 1.128 421 HA ASN 58 HA ASN 58 4.511 -11.574 3.007 422 1HB ASN 58 HB2 ASN 58 5.194 -12.396 0.799 423 2HB ASN 58 HB1 ASN 58 6.886 -12.152 1.221 424 1HD2 ASN 58 HD21 ASN 58 4.598 -14.420 0.890 425 2HD2 ASN 58 HD22 ASN 58 5.180 -15.613 1.996 426 H THR 59 HN THR 59 7.439 -9.781 3.081 427 HA THR 59 HA THR 59 8.577 -11.336 5.248 428 HB THR 59 HB THR 59 9.590 -8.767 4.028 429 HG1 THR 59 HG1 THR 59 9.393 -10.566 2.542 430 1HG2 THR 59 HG21 THR 59 11.787 -9.562 4.819 431 2HG2 THR 59 HG22 THR 59 10.971 -10.864 5.683 432 3HG2 THR 59 HG23 THR 59 10.667 -9.185 6.127 433 H LEU 60 HN LEU 60 6.699 -8.467 4.805 434 HA LEU 60 HA LEU 60 7.236 -6.877 6.925 435 1HB LEU 60 HB2 LEU 60 4.644 -7.714 5.699 436 2HB LEU 60 HB1 LEU 60 4.629 -6.689 7.121 437 HG LEU 60 HG LEU 60 5.764 -6.064 4.409 438 1HD1 LEU 60 HD11 LEU 60 3.785 -4.585 6.124 439 2HD1 LEU 60 HD12 LEU 60 3.343 -5.711 4.840 440 3HD1 LEU 60 HD13 LEU 60 4.228 -4.232 4.456 441 1HD2 LEU 60 HD21 LEU 60 6.408 -4.886 7.064 442 2HD2 LEU 60 HD22 LEU 60 6.256 -3.807 5.676 443 3HD2 LEU 60 HD23 LEU 60 7.436 -5.118 5.649 444 HA PRO 61 HA PRO 61 6.914 -8.855 10.820 445 1HB PRO 61 HB2 PRO 61 4.989 -6.705 11.566 446 2HB PRO 61 HB1 PRO 61 6.455 -7.240 12.394 447 1HG PRO 61 HG2 PRO 61 6.444 -4.979 10.993 448 2HG PRO 61 HG1 PRO 61 7.851 -6.058 10.963 449 1HD PRO 61 HD2 PRO 61 5.744 -5.633 8.895 450 2HD PRO 61 HD1 PRO 61 7.476 -5.971 8.694 451 H GLU 62 HN GLU 62 5.117 -9.342 12.571 452 HA GLU 62 HA GLU 62 3.275 -11.120 11.380 453 1HB GLU 62 HB2 GLU 62 2.581 -11.652 13.582 454 2HB GLU 62 HB1 GLU 62 4.304 -11.321 13.675 455 1HG GLU 62 HG2 GLU 62 3.242 -8.861 14.167 456 2HG GLU 62 HG1 GLU 62 2.050 -9.932 14.906 457 H ASN 63 HN ASN 63 0.994 -10.873 12.818 458 HA ASN 63 HA ASN 63 -0.719 -9.605 11.291 459 1HB ASN 63 HB2 ASN 63 -2.061 -9.210 13.554 460 2HB ASN 63 HB1 ASN 63 -1.824 -10.816 12.875 461 1HD2 ASN 63 HD21 ASN 63 -0.627 -8.518 15.242 462 2HD2 ASN 63 HD22 ASN 63 0.083 -9.686 16.293 463 H THR 64 HN THR 64 0.640 -7.706 10.672 464 HA THR 64 HA THR 64 0.088 -5.397 12.428 465 HB THR 64 HB THR 64 1.961 -4.326 10.985 466 HG1 THR 64 HG1 THR 64 2.931 -6.932 10.742 467 1HG2 THR 64 HG21 THR 64 3.721 -5.136 12.417 468 2HG2 THR 64 HG22 THR 64 2.726 -6.507 12.910 469 3HG2 THR 64 HG23 THR 64 2.253 -4.868 13.358 470 H THR 65 HN THR 65 -0.173 -3.313 11.219 471 HA THR 65 HA THR 65 -1.981 -3.768 8.963 472 HB THR 65 HB THR 65 -1.686 -1.066 10.118 473 HG1 THR 65 HG1 THR 65 -2.576 -3.286 11.595 474 1HG2 THR 65 HG21 THR 65 -3.797 -2.700 8.914 475 2HG2 THR 65 HG22 THR 65 -3.526 -0.957 8.854 476 3HG2 THR 65 HG23 THR 65 -4.310 -1.680 10.259 477 H LYS 66 HN LYS 66 -0.463 -4.030 7.315 478 HA LYS 66 HA LYS 66 1.665 -2.247 6.820 479 1HB LYS 66 HB2 LYS 66 1.886 -4.331 5.802 480 2HB LYS 66 HB1 LYS 66 0.245 -4.327 5.191 481 1HG LYS 66 HG2 LYS 66 1.928 -4.075 3.421 482 2HG LYS 66 HG1 LYS 66 0.831 -2.701 3.505 483 1HD LYS 66 HD2 LYS 66 2.446 -1.281 4.295 484 2HD LYS 66 HD1 LYS 66 3.395 -2.583 5.013 485 1HE LYS 66 HE2 LYS 66 4.448 -1.555 3.001 486 2HE LYS 66 HE1 LYS 66 4.180 -3.288 2.865 487 1HZ LYS 66 HZ1 LYS 66 3.463 -2.434 0.845 488 2HZ LYS 66 HZ2 LYS 66 2.707 -1.095 1.547 489 3HZ LYS 66 HZ3 LYS 66 2.023 -2.633 1.706 490 H THR 67 HN THR 67 0.608 -0.203 7.114 491 HA THR 67 HA THR 67 -1.307 0.607 5.115 492 HB THR 67 HB THR 67 -1.697 1.351 7.338 493 HG1 THR 67 HG1 THR 67 -0.700 3.505 5.791 494 1HG2 THR 67 HG21 THR 67 0.192 1.418 8.582 495 2HG2 THR 67 HG22 THR 67 -0.001 3.136 8.236 496 3HG2 THR 67 HG23 THR 67 1.139 2.173 7.303 497 H LEU 68 HN LEU 68 -0.639 1.221 3.203 498 HA LEU 68 HA LEU 68 2.013 2.361 2.868 499 1HB LEU 68 HB2 LEU 68 0.947 2.171 0.366 500 2HB LEU 68 HB1 LEU 68 1.947 0.954 1.132 501 HG LEU 68 HG LEU 68 -1.041 0.935 1.364 502 1HD1 LEU 68 HD11 LEU 68 0.295 -0.862 -0.555 503 2HD1 LEU 68 HD12 LEU 68 0.085 0.814 -1.040 504 3HD1 LEU 68 HD13 LEU 68 -1.314 -0.152 -0.598 505 1HD2 LEU 68 HD21 LEU 68 0.434 -1.569 1.353 506 2HD2 LEU 68 HD22 LEU 68 -0.778 -0.975 2.483 507 3HD2 LEU 68 HD23 LEU 68 0.902 -0.488 2.667 508 H THR 69 HN THR 69 1.821 4.469 3.503 509 HA THR 69 HA THR 69 -0.316 6.120 2.433 510 HB THR 69 HB THR 69 1.952 6.676 4.345 511 HG1 THR 69 HG1 THR 69 -0.113 5.537 4.928 512 1HG2 THR 69 HG21 THR 69 -0.148 8.604 3.391 513 2HG2 THR 69 HG22 THR 69 1.587 8.727 3.131 514 3HG2 THR 69 HG23 THR 69 0.929 8.864 4.760 515 H PHE 70 HN PHE 70 -0.004 6.525 0.293 516 HA PHE 70 HA PHE 70 2.578 7.043 -0.822 517 1HB PHE 70 HB2 PHE 70 -0.188 7.479 -1.968 518 2HB PHE 70 HB1 PHE 70 1.308 7.518 -2.874 519 HD1 PHE 70 HD1 PHE 70 2.102 5.585 -3.879 520 HD2 PHE 70 HD2 PHE 70 -0.742 5.273 -0.735 521 HE1 PHE 70 HE1 PHE 70 1.924 3.170 -4.288 522 HE2 PHE 70 HE2 PHE 70 -0.926 2.854 -1.139 523 HZ PHE 70 HZ PHE 70 0.405 1.801 -2.917 524 H ASP 71 HN ASP 71 3.611 8.869 -0.248 525 HA ASP 71 HA ASP 71 2.279 11.216 0.600 526 1HB ASP 71 HB2 ASP 71 4.515 10.681 1.380 527 2HB ASP 71 HB1 ASP 71 5.142 10.818 -0.254 528 H PHE 72 HN PHE 72 0.972 12.121 -0.793 529 HA PHE 72 HA PHE 72 1.900 12.777 -3.490 530 1HB PHE 72 HB2 PHE 72 -0.657 12.128 -2.305 531 2HB PHE 72 HB1 PHE 72 -0.741 13.647 -3.193 532 HD1 PHE 72 HD1 PHE 72 0.665 10.222 -3.603 533 HD2 PHE 72 HD2 PHE 72 -1.284 13.540 -5.402 534 HE1 PHE 72 HE1 PHE 72 0.513 8.982 -5.716 535 HE2 PHE 72 HE2 PHE 72 -1.450 12.300 -7.520 536 HZ PHE 72 HZ PHE 72 -0.544 10.017 -7.668 537 H GLY 73 HN GLY 73 2.690 14.143 -0.913 538 1HA GLY 73 HA2 GLY 73 3.172 16.284 -0.253 539 2HA GLY 73 HA1 GLY 73 2.748 16.783 -1.883 540 H VAL 74 HN VAL 74 0.166 15.144 -0.544 541 HA VAL 74 HA VAL 74 -1.140 17.686 0.128 542 HB VAL 74 HB VAL 74 -3.256 16.594 -0.323 543 1HG1 VAL 74 HG11 VAL 74 -1.286 17.164 -2.219 544 2HG1 VAL 74 HG12 VAL 74 -3.027 17.074 -2.479 545 3HG1 VAL 74 HG13 VAL 74 -2.023 15.651 -2.744 546 1HG2 VAL 74 HG21 VAL 74 -1.573 14.133 -0.744 547 2HG2 VAL 74 HG22 VAL 74 -3.241 14.276 -1.298 548 3HG2 VAL 74 HG23 VAL 74 -2.873 14.370 0.419 549 H GLY 75 HN GLY 75 -0.680 14.356 1.237 550 1HA GLY 75 HA2 GLY 75 -0.664 13.535 3.396 551 2HA GLY 75 HA1 GLY 75 -0.880 15.173 3.976 552 H THR 76 HN THR 76 -3.048 16.054 3.854 553 HA THR 76 HA THR 76 -4.931 14.616 5.205 554 HB THR 76 HB THR 76 -5.456 16.795 3.181 555 HG1 THR 76 HG1 THR 76 -5.445 18.085 5.147 556 1HG2 THR 76 HG21 THR 76 -7.193 16.860 5.446 557 2HG2 THR 76 HG22 THR 76 -7.321 15.296 4.639 558 3HG2 THR 76 HG23 THR 76 -7.593 16.781 3.730 559 H LYS 77 HN LYS 77 -5.155 15.284 1.711 560 HA LYS 77 HA LYS 77 -7.054 13.137 1.398 561 1HB LYS 77 HB2 LYS 77 -6.768 13.957 -1.105 562 2HB LYS 77 HB1 LYS 77 -7.758 14.839 0.048 563 1HG LYS 77 HG2 LYS 77 -6.278 16.570 0.206 564 2HG LYS 77 HG1 LYS 77 -4.884 15.558 -0.182 565 1HD LYS 77 HD2 LYS 77 -5.455 15.527 -2.491 566 2HD LYS 77 HD1 LYS 77 -7.023 16.273 -2.176 567 1HE LYS 77 HE2 LYS 77 -4.609 17.749 -1.295 568 2HE LYS 77 HE1 LYS 77 -4.909 17.659 -3.030 569 1HZ LYS 77 HZ1 LYS 77 -5.985 19.489 -1.388 570 2HZ LYS 77 HZ2 LYS 77 -7.226 18.343 -1.448 571 3HZ LYS 77 HZ3 LYS 77 -6.648 19.036 -2.878 572 H ASN 78 HN ASN 78 -3.963 12.960 1.840 573 HA ASN 78 HA ASN 78 -2.794 11.738 -0.371 574 1HB ASN 78 HB2 ASN 78 -1.431 12.411 1.483 575 2HB ASN 78 HB1 ASN 78 -2.303 11.344 2.577 576 1HD2 ASN 78 HD21 ASN 78 0.503 11.432 2.129 577 2HD2 ASN 78 HD22 ASN 78 0.973 9.886 1.522 578 HA PRO 79 HA PRO 79 -5.294 8.027 -0.575 579 1HB PRO 79 HB2 PRO 79 -3.787 6.800 -2.512 580 2HB PRO 79 HB1 PRO 79 -5.034 8.004 -2.848 581 1HG PRO 79 HG2 PRO 79 -2.070 8.332 -2.701 582 2HG PRO 79 HG1 PRO 79 -3.226 9.071 -3.822 583 1HD PRO 79 HD2 PRO 79 -2.182 10.417 -1.725 584 2HD PRO 79 HD1 PRO 79 -3.829 10.713 -2.322 585 H LYS 80 HN LYS 80 -4.849 7.082 1.397 586 HA LYS 80 HA LYS 80 -2.338 5.595 1.671 587 1HB LYS 80 HB2 LYS 80 -4.460 6.418 3.648 588 2HB LYS 80 HB1 LYS 80 -3.193 5.271 4.052 589 1HG LYS 80 HG2 LYS 80 -2.049 7.066 4.722 590 2HG LYS 80 HG1 LYS 80 -1.758 7.339 3.003 591 1HD LYS 80 HD2 LYS 80 -2.763 9.311 3.239 592 2HD LYS 80 HD1 LYS 80 -4.273 8.435 3.490 593 1HE LYS 80 HE2 LYS 80 -2.872 8.368 5.934 594 2HE LYS 80 HE1 LYS 80 -2.779 10.025 5.339 595 1HZ LYS 80 HZ1 LYS 80 -4.832 10.311 6.069 596 2HZ LYS 80 HZ2 LYS 80 -4.974 8.682 6.497 597 3HZ LYS 80 HZ3 LYS 80 -5.384 9.184 4.936 598 H LEU 81 HN LEU 81 -2.293 3.378 1.933 599 HA LEU 81 HA LEU 81 -4.845 1.995 1.577 600 1HB LEU 81 HB2 LEU 81 -2.272 1.713 0.163 601 2HB LEU 81 HB1 LEU 81 -3.099 0.219 0.552 602 HG LEU 81 HG LEU 81 -4.979 2.043 -0.593 603 1HD1 LEU 81 HD11 LEU 81 -2.364 1.761 -2.029 604 2HD1 LEU 81 HD12 LEU 81 -3.320 3.214 -1.739 605 3HD1 LEU 81 HD13 LEU 81 -3.875 2.009 -2.902 606 1HD2 LEU 81 HD21 LEU 81 -4.655 0.079 -2.417 607 2HD2 LEU 81 HD22 LEU 81 -5.612 -0.086 -0.944 608 3HD2 LEU 81 HD23 LEU 81 -3.952 -0.682 -0.991 609 H THR 82 HN THR 82 -5.354 1.019 3.453 610 HA THR 82 HA THR 82 -3.192 0.016 5.139 611 HB THR 82 HB THR 82 -4.711 1.214 6.440 612 HG1 THR 82 HG1 THR 82 -5.069 -0.283 7.848 613 1HG2 THR 82 HG21 THR 82 -7.198 0.627 6.402 614 2HG2 THR 82 HG22 THR 82 -6.867 -0.076 4.821 615 3HG2 THR 82 HG23 THR 82 -6.559 1.634 5.103 616 H ILE 83 HN ILE 83 -2.479 -1.942 4.635 617 HA ILE 83 HA ILE 83 -4.464 -4.023 3.989 618 HB ILE 83 HB ILE 83 -2.910 -3.589 2.146 619 1HG1 ILE 83 HG12 ILE 83 -2.326 -6.238 3.484 620 2HG1 ILE 83 HG11 ILE 83 -3.766 -5.887 2.531 621 1HG2 ILE 83 HG21 ILE 83 -1.006 -3.481 4.256 622 2HG2 ILE 83 HG22 ILE 83 -0.808 -3.052 2.558 623 3HG2 ILE 83 HG23 ILE 83 -0.512 -4.707 3.091 624 1HD1 ILE 83 HD11 ILE 83 -1.220 -6.785 1.655 625 2HD1 ILE 83 HD12 ILE 83 -1.522 -5.192 0.959 626 3HD1 ILE 83 HD13 ILE 83 -2.680 -6.500 0.709 627 H THR 84 HN THR 84 -4.773 -5.503 5.495 628 HA THR 84 HA THR 84 -3.139 -5.615 7.838 629 HB THR 84 HB THR 84 -5.183 -7.705 7.227 630 HG1 THR 84 HG1 THR 84 -6.777 -6.155 7.933 631 1HG2 THR 84 HG21 THR 84 -4.045 -6.436 9.614 632 2HG2 THR 84 HG22 THR 84 -4.675 -8.066 9.377 633 3HG2 THR 84 HG23 THR 84 -5.784 -6.727 9.658 634 H VAL 85 HN VAL 85 -1.280 -6.643 7.952 635 HA VAL 85 HA VAL 85 -0.814 -8.991 6.260 636 HB VAL 85 HB VAL 85 1.550 -8.355 7.644 637 1HG1 VAL 85 HG11 VAL 85 1.010 -9.173 5.234 638 2HG1 VAL 85 HG12 VAL 85 2.472 -8.233 5.536 639 3HG1 VAL 85 HG13 VAL 85 1.048 -7.455 4.842 640 1HG2 VAL 85 HG21 VAL 85 1.851 -5.976 6.776 641 2HG2 VAL 85 HG22 VAL 85 0.885 -6.184 8.236 642 3HG2 VAL 85 HG23 VAL 85 0.091 -5.910 6.684 643 H LEU 86 HN LEU 86 -1.686 -10.697 7.361 644 HA LEU 86 HA LEU 86 -1.406 -11.006 10.196 645 1HB LEU 86 HB2 LEU 86 -2.031 -13.321 8.421 646 2HB LEU 86 HB1 LEU 86 -2.692 -12.912 9.990 647 HG LEU 86 HG LEU 86 -3.427 -11.765 7.314 648 1HD1 LEU 86 HD11 LEU 86 -4.475 -13.810 8.872 649 2HD1 LEU 86 HD12 LEU 86 -5.251 -13.013 7.505 650 3HD1 LEU 86 HD13 LEU 86 -5.551 -12.439 9.146 651 1HD2 LEU 86 HD21 LEU 86 -3.548 -10.500 9.968 652 2HD2 LEU 86 HD22 LEU 86 -5.043 -10.451 9.032 653 3HD2 LEU 86 HD23 LEU 86 -3.561 -9.774 8.360 654 HA PRO 87 HA PRO 87 2.458 -13.065 10.554 655 1HB PRO 87 HB2 PRO 87 1.925 -15.054 12.342 656 2HB PRO 87 HB1 PRO 87 2.082 -13.354 12.795 657 1HG PRO 87 HG2 PRO 87 -0.387 -14.965 12.319 658 2HG PRO 87 HG1 PRO 87 -0.052 -13.785 13.597 659 1HD PRO 87 HD2 PRO 87 -1.535 -13.172 11.431 660 2HD PRO 87 HD1 PRO 87 -0.478 -11.981 12.219 661 H LYS 88 HN LYS 88 3.450 -14.376 9.176 662 HA LYS 88 HA LYS 88 2.330 -16.063 7.370 663 1HB LYS 88 HB2 LYS 88 4.832 -17.227 8.200 664 2HB LYS 88 HB1 LYS 88 4.441 -16.374 6.716 665 1HG LYS 88 HG2 LYS 88 4.895 -14.241 7.825 666 2HG LYS 88 HG1 LYS 88 5.298 -15.108 9.309 667 1HD LYS 88 HD2 LYS 88 7.383 -14.747 8.364 668 2HD LYS 88 HD1 LYS 88 6.994 -16.374 7.801 669 1HE LYS 88 HE2 LYS 88 7.000 -15.733 5.664 670 2HE LYS 88 HE1 LYS 88 5.984 -14.333 6.008 671 1HZ LYS 88 HZ1 LYS 88 8.588 -13.902 7.017 672 2HZ LYS 88 HZ2 LYS 88 7.744 -13.022 5.844 673 3HZ LYS 88 HZ3 LYS 88 8.685 -14.349 5.386 674 H ASP 89 HN ASP 89 1.774 -18.205 7.217 675 HA ASP 89 HA ASP 89 1.947 -19.831 9.655 676 1HB ASP 89 HB2 ASP 89 -0.305 -18.833 9.552 677 2HB ASP 89 HB1 ASP 89 -0.532 -19.535 7.950 678 H ILE 90 HN ILE 90 2.138 -22.038 9.339 679 HA ILE 90 HA ILE 90 2.618 -22.858 6.548 680 HB ILE 90 HB ILE 90 4.640 -22.883 7.946 681 1HG1 ILE 90 HG12 ILE 90 4.187 -24.571 6.094 682 2HG1 ILE 90 HG11 ILE 90 5.428 -25.010 7.260 683 1HG2 ILE 90 HG21 ILE 90 4.635 -23.587 10.044 684 2HG2 ILE 90 HG22 ILE 90 4.083 -25.187 9.549 685 3HG2 ILE 90 HG23 ILE 90 2.909 -23.918 9.897 686 1HD1 ILE 90 HD11 ILE 90 4.277 -26.973 7.074 687 2HD1 ILE 90 HD12 ILE 90 2.726 -26.169 6.841 688 3HD1 ILE 90 HD13 ILE 90 3.451 -26.241 8.447 689 HA PRO 91 HA PRO 91 -1.024 -25.348 7.731 690 1HB PRO 91 HB2 PRO 91 -1.888 -25.702 5.182 691 2HB PRO 91 HB1 PRO 91 -2.246 -24.251 6.123 692 1HG PRO 91 HG2 PRO 91 -0.141 -24.684 4.041 693 2HG PRO 91 HG1 PRO 91 -1.211 -23.291 4.277 694 1HD PRO 91 HD2 PRO 91 1.362 -23.303 5.105 695 2HD PRO 91 HD1 PRO 91 0.087 -22.415 5.964 696 H GLY 92 HN GLY 92 -1.364 -27.552 7.637 697 1HA GLY 92 HA2 GLY 92 -0.949 -29.772 7.173 698 2HA GLY 92 HA1 GLY 92 -0.074 -29.252 5.743 699 H LEU 93 HN LEU 93 0.594 -28.363 9.091 700 HA LEU 93 HA LEU 93 3.357 -28.932 8.819 701 1HB LEU 93 HB2 LEU 93 3.380 -28.606 11.337 702 2HB LEU 93 HB1 LEU 93 2.853 -27.252 10.359 703 HG LEU 93 HG LEU 93 1.586 -27.913 12.560 704 1HD1 LEU 93 HD11 LEU 93 0.920 -26.496 10.220 705 2HD1 LEU 93 HD12 LEU 93 0.279 -26.286 11.848 706 3HD1 LEU 93 HD13 LEU 93 -0.516 -27.381 10.721 707 1HD2 LEU 93 HD21 LEU 93 -0.467 -29.263 11.909 708 2HD2 LEU 93 HD22 LEU 93 1.021 -30.154 12.195 709 3HD2 LEU 93 HD23 LEU 93 0.479 -29.847 10.546 710 H GLU 94 HN GLU 94 2.629 -31.220 7.984 711 HA GLU 94 HA GLU 94 3.701 -33.118 9.720 712 1HB GLU 94 HB2 GLU 94 1.094 -32.530 10.451 713 2HB GLU 94 HB1 GLU 94 0.929 -33.991 9.487 714 1HG GLU 94 HG2 GLU 94 3.098 -34.465 11.174 715 2HG GLU 94 HG1 GLU 94 1.887 -33.668 12.175 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -6.198 17.871 -0.035 2 2H MET 1 HT2 MET 1 -5.729 18.455 1.508 3 3H MET 1 HT3 MET 1 -4.653 17.480 0.592 4 HA MET 1 HA MET 1 -5.403 20.271 0.257 5 1HB MET 1 HB2 MET 1 -3.097 18.681 0.918 6 2HB MET 1 HB1 MET 1 -2.757 19.646 -0.507 7 1HG MET 1 HG2 MET 1 -2.088 20.818 1.494 8 2HG MET 1 HG1 MET 1 -3.408 21.666 0.693 9 1HE MET 1 HE1 MET 1 -5.983 22.132 3.135 10 2HE MET 1 HE2 MET 1 -6.290 20.928 1.885 11 3HE MET 1 HE3 MET 1 -5.309 22.348 1.521 12 H GLN 2 HN GLN 2 -4.972 17.338 -1.520 13 HA GLN 2 HA GLN 2 -5.227 18.861 -4.026 14 1HB GLN 2 HB2 GLN 2 -3.410 16.552 -3.398 15 2HB GLN 2 HB1 GLN 2 -3.927 16.866 -5.047 16 1HG GLN 2 HG2 GLN 2 -2.576 18.636 -5.271 17 2HG GLN 2 HG1 GLN 2 -2.882 19.208 -3.632 18 1HE2 GLN 2 HE21 GLN 2 -1.071 16.868 -5.533 19 2HE2 GLN 2 HE22 GLN 2 0.228 16.689 -4.412 20 H ASP 3 HN ASP 3 -5.705 17.009 -5.839 21 HA ASP 3 HA ASP 3 -7.965 15.443 -4.795 22 1HB ASP 3 HB2 ASP 3 -7.992 17.543 -6.701 23 2HB ASP 3 HB1 ASP 3 -8.383 16.049 -7.539 24 HA PRO 4 HA PRO 4 -4.997 12.819 -7.388 25 1HB PRO 4 HB2 PRO 4 -3.725 11.459 -5.454 26 2HB PRO 4 HB1 PRO 4 -3.167 13.048 -5.990 27 1HG PRO 4 HG2 PRO 4 -4.787 12.324 -3.578 28 2HG PRO 4 HG1 PRO 4 -3.428 13.454 -3.713 29 1HD PRO 4 HD2 PRO 4 -6.046 14.239 -3.692 30 2HD PRO 4 HD1 PRO 4 -4.756 15.149 -4.503 31 H THR 5 HN THR 5 -5.541 10.751 -7.998 32 HA THR 5 HA THR 5 -7.394 9.316 -6.214 33 HB THR 5 HB THR 5 -7.578 9.162 -9.212 34 HG1 THR 5 HG1 THR 5 -8.598 11.111 -7.481 35 1HG2 THR 5 HG21 THR 5 -9.854 8.881 -7.317 36 2HG2 THR 5 HG22 THR 5 -8.748 7.529 -7.569 37 3HG2 THR 5 HG23 THR 5 -9.641 8.205 -8.932 38 H ILE 6 HN ILE 6 -6.082 7.762 -5.404 39 HA ILE 6 HA ILE 6 -4.750 6.046 -7.377 40 HB ILE 6 HB ILE 6 -2.826 5.845 -6.096 41 1HG1 ILE 6 HG12 ILE 6 -4.330 7.106 -3.791 42 2HG1 ILE 6 HG11 ILE 6 -3.860 5.414 -3.923 43 1HG2 ILE 6 HG21 ILE 6 -2.103 8.155 -5.604 44 2HG2 ILE 6 HG22 ILE 6 -3.775 8.684 -5.779 45 3HG2 ILE 6 HG23 ILE 6 -2.919 8.006 -7.160 46 1HD1 ILE 6 HD11 ILE 6 -2.286 7.758 -3.135 47 2HD1 ILE 6 HD12 ILE 6 -1.462 6.621 -4.201 48 3HD1 ILE 6 HD13 ILE 6 -2.126 6.066 -2.665 49 H ASN 7 HN ASN 7 -3.804 4.101 -5.794 50 HA ASN 7 HA ASN 7 -5.683 2.199 -5.576 51 1HB ASN 7 HB2 ASN 7 -4.243 1.119 -3.859 52 2HB ASN 7 HB1 ASN 7 -3.325 1.747 -5.224 53 1HD2 ASN 7 HD21 ASN 7 -2.292 3.847 -4.943 54 2HD2 ASN 7 HD22 ASN 7 -1.730 4.298 -3.375 55 HA PRO 8 HA PRO 8 -8.603 2.762 -2.435 56 1HB PRO 8 HB2 PRO 8 -8.394 0.347 -1.056 57 2HB PRO 8 HB1 PRO 8 -9.373 0.626 -2.497 58 1HG PRO 8 HG2 PRO 8 -6.658 -0.577 -2.251 59 2HG PRO 8 HG1 PRO 8 -7.991 -1.019 -3.333 60 1HD PRO 8 HD2 PRO 8 -5.878 0.365 -4.213 61 2HD PRO 8 HD1 PRO 8 -7.513 0.690 -4.821 62 H THR 9 HN THR 9 -8.613 1.656 0.176 63 HA THR 9 HA THR 9 -6.188 2.731 1.404 64 HB THR 9 HB THR 9 -9.004 3.598 2.052 65 HG1 THR 9 HG1 THR 9 -6.737 4.887 0.977 66 1HG2 THR 9 HG21 THR 9 -8.313 3.884 4.146 67 2HG2 THR 9 HG22 THR 9 -7.367 5.226 3.503 68 3HG2 THR 9 HG23 THR 9 -6.619 3.644 3.721 69 H SER 10 HN SER 10 -8.041 0.100 1.149 70 HA SER 10 HA SER 10 -7.243 -0.827 3.779 71 1HB SER 10 HB2 SER 10 -9.726 0.168 3.664 72 2HB SER 10 HB1 SER 10 -10.066 -1.471 3.122 73 HG SER 10 HG SER 10 -10.185 -1.628 5.276 74 H ILE 11 HN ILE 11 -6.604 -2.858 3.775 75 HA ILE 11 HA ILE 11 -7.701 -4.868 2.050 76 HB ILE 11 HB ILE 11 -6.296 -4.548 0.337 77 1HG1 ILE 11 HG12 ILE 11 -4.226 -5.560 2.295 78 2HG1 ILE 11 HG11 ILE 11 -5.311 -6.555 1.328 79 1HG2 ILE 11 HG21 ILE 11 -5.696 -2.327 1.029 80 2HG2 ILE 11 HG22 ILE 11 -4.263 -3.157 0.419 81 3HG2 ILE 11 HG23 ILE 11 -4.500 -2.965 2.156 82 1HD1 ILE 11 HD11 ILE 11 -4.188 -6.072 -0.640 83 2HD1 ILE 11 HD12 ILE 11 -2.898 -6.264 0.541 84 3HD1 ILE 11 HD13 ILE 11 -3.400 -4.650 0.039 85 H SER 12 HN SER 12 -7.037 -7.002 2.660 86 HA SER 12 HA SER 12 -5.197 -7.250 4.903 87 1HB SER 12 HB2 SER 12 -7.515 -8.786 5.585 88 2HB SER 12 HB1 SER 12 -6.736 -7.498 6.501 89 HG SER 12 HG SER 12 -7.972 -6.002 5.251 90 H ALA 13 HN ALA 13 -4.173 -9.171 4.986 91 HA ALA 13 HA ALA 13 -5.161 -11.589 3.931 92 1HB ALA 13 HB1 ALA 13 -4.366 -9.992 1.915 93 2HB ALA 13 HB2 ALA 13 -4.262 -11.752 1.866 94 3HB ALA 13 HB3 ALA 13 -2.842 -10.796 2.292 95 H LYS 14 HN LYS 14 -3.472 -13.298 3.971 96 HA LYS 14 HA LYS 14 -1.893 -13.068 6.333 97 1HB LYS 14 HB2 LYS 14 -2.762 -15.225 5.906 98 2HB LYS 14 HB1 LYS 14 -2.202 -15.214 4.241 99 1HG LYS 14 HG2 LYS 14 -0.144 -15.035 6.360 100 2HG LYS 14 HG1 LYS 14 -0.976 -16.577 6.157 101 1HD LYS 14 HD2 LYS 14 0.274 -15.088 3.862 102 2HD LYS 14 HD1 LYS 14 1.160 -16.268 4.831 103 1HE LYS 14 HE2 LYS 14 -0.139 -18.042 4.092 104 2HE LYS 14 HE1 LYS 14 -1.469 -16.991 3.609 105 1HZ LYS 14 HZ1 LYS 14 0.818 -17.842 2.110 106 2HZ LYS 14 HZ2 LYS 14 0.586 -16.169 2.046 107 3HZ LYS 14 HZ3 LYS 14 -0.649 -17.212 1.566 108 H ALA 15 HN ALA 15 0.406 -13.082 6.500 109 HA ALA 15 HA ALA 15 1.683 -11.484 4.579 110 1HB ALA 15 HB1 ALA 15 3.669 -11.671 5.865 111 2HB ALA 15 HB2 ALA 15 3.143 -13.195 6.584 112 3HB ALA 15 HB3 ALA 15 2.337 -11.687 7.021 113 H GLY 16 HN GLY 16 1.874 -12.101 2.641 114 1HA GLY 16 HA2 GLY 16 3.599 -13.354 1.273 115 2HA GLY 16 HA1 GLY 16 2.931 -14.786 2.054 116 H SER 17 HN SER 17 0.214 -13.895 2.072 117 HA SER 17 HA SER 17 -0.565 -14.748 -0.516 118 1HB SER 17 HB2 SER 17 -2.733 -13.519 0.787 119 2HB SER 17 HB1 SER 17 -2.364 -15.236 0.715 120 HG SER 17 HG SER 17 -1.221 -15.043 2.620 121 H PHE 18 HN PHE 18 0.869 -12.025 0.209 122 HA PHE 18 HA PHE 18 -0.891 -10.212 -1.207 123 1HB PHE 18 HB2 PHE 18 1.619 -9.843 0.393 124 2HB PHE 18 HB1 PHE 18 0.814 -8.554 -0.456 125 HD1 PHE 18 HD1 PHE 18 1.068 -10.296 2.572 126 HD2 PHE 18 HD2 PHE 18 -1.691 -8.159 0.141 127 HE1 PHE 18 HE1 PHE 18 -0.366 -9.939 4.532 128 HE2 PHE 18 HE2 PHE 18 -3.136 -7.794 2.100 129 HZ PHE 18 HZ PHE 18 -2.469 -8.685 4.299 130 H ALA 19 HN ALA 19 -0.459 -11.453 -3.195 131 HA ALA 19 HA ALA 19 2.150 -11.542 -4.314 132 1HB ALA 19 HB1 ALA 19 -0.599 -12.043 -5.304 133 2HB ALA 19 HB2 ALA 19 0.828 -13.073 -5.363 134 3HB ALA 19 HB3 ALA 19 0.653 -11.741 -6.506 135 H ASP 20 HN ASP 20 2.894 -10.342 -6.207 136 HA ASP 20 HA ASP 20 3.185 -7.708 -5.962 137 1HB ASP 20 HB2 ASP 20 4.178 -9.112 -7.778 138 2HB ASP 20 HB1 ASP 20 2.656 -8.976 -8.653 139 H THR 21 HN THR 21 1.777 -6.127 -5.538 140 HA THR 21 HA THR 21 -0.847 -6.253 -6.875 141 HB THR 21 HB THR 21 -0.285 -4.508 -4.509 142 HG1 THR 21 HG1 THR 21 0.264 -6.311 -3.542 143 1HG2 THR 21 HG21 THR 21 -2.654 -5.218 -3.972 144 2HG2 THR 21 HG22 THR 21 -2.719 -5.864 -5.612 145 3HG2 THR 21 HG23 THR 21 -2.438 -4.142 -5.352 146 H LYS 22 HN LYS 22 -0.491 -5.169 -8.765 147 HA LYS 22 HA LYS 22 0.951 -2.732 -8.903 148 1HB LYS 22 HB2 LYS 22 -0.763 -2.839 -11.130 149 2HB LYS 22 HB1 LYS 22 0.934 -3.258 -11.072 150 1HG LYS 22 HG2 LYS 22 -1.248 -5.213 -10.427 151 2HG LYS 22 HG1 LYS 22 -0.598 -4.986 -12.051 152 1HD LYS 22 HD2 LYS 22 1.526 -5.758 -11.427 153 2HD LYS 22 HD1 LYS 22 1.174 -5.589 -9.705 154 1HE LYS 22 HE2 LYS 22 0.813 -7.810 -9.816 155 2HE LYS 22 HE1 LYS 22 -0.756 -7.326 -10.441 156 1HZ LYS 22 HZ1 LYS 22 0.357 -7.414 -12.708 157 2HZ LYS 22 HZ2 LYS 22 0.019 -8.889 -11.955 158 3HZ LYS 22 HZ3 LYS 22 1.596 -8.278 -11.944 159 H ILE 23 HN ILE 23 0.310 -0.943 -8.032 160 HA ILE 23 HA ILE 23 -2.499 -0.356 -7.661 161 HB ILE 23 HB ILE 23 0.027 0.500 -6.467 162 1HG1 ILE 23 HG12 ILE 23 -2.757 -0.002 -5.435 163 2HG1 ILE 23 HG11 ILE 23 -1.367 -1.072 -5.312 164 1HG2 ILE 23 HG21 ILE 23 -0.643 2.664 -7.171 165 2HG2 ILE 23 HG22 ILE 23 -1.070 2.529 -5.466 166 3HG2 ILE 23 HG23 ILE 23 -2.317 2.363 -6.702 167 1HD1 ILE 23 HD11 ILE 23 -0.577 -0.034 -3.504 168 2HD1 ILE 23 HD12 ILE 23 -2.212 0.607 -3.368 169 3HD1 ILE 23 HD13 ILE 23 -0.947 1.564 -4.136 170 H THR 24 HN THR 24 -3.392 1.713 -8.239 171 HA THR 24 HA THR 24 -2.091 2.887 -10.610 172 HB THR 24 HB THR 24 -5.034 3.044 -9.967 173 HG1 THR 24 HG1 THR 24 -3.614 1.052 -11.381 174 1HG2 THR 24 HG21 THR 24 -5.279 3.364 -12.375 175 2HG2 THR 24 HG22 THR 24 -3.524 3.328 -12.553 176 3HG2 THR 24 HG23 THR 24 -4.291 4.626 -11.637 177 H LEU 25 HN LEU 25 -1.312 4.867 -10.335 178 HA LEU 25 HA LEU 25 -2.380 6.507 -8.142 179 1HB LEU 25 HB2 LEU 25 0.252 5.861 -9.087 180 2HB LEU 25 HB1 LEU 25 0.012 7.594 -9.104 181 HG LEU 25 HG LEU 25 -0.714 7.428 -6.704 182 1HD1 LEU 25 HD11 LEU 25 0.657 4.937 -6.220 183 2HD1 LEU 25 HD12 LEU 25 -0.749 4.706 -7.251 184 3HD1 LEU 25 HD13 LEU 25 -0.928 5.472 -5.672 185 1HD2 LEU 25 HD21 LEU 25 1.523 7.327 -5.846 186 2HD2 LEU 25 HD22 LEU 25 1.546 8.122 -7.421 187 3HD2 LEU 25 HD23 LEU 25 2.070 6.445 -7.272 188 H THR 26 HN THR 26 -4.120 7.446 -9.337 189 HA THR 26 HA THR 26 -3.707 8.772 -11.824 190 HB THR 26 HB THR 26 -5.920 9.432 -9.897 191 HG1 THR 26 HG1 THR 26 -5.904 7.243 -11.695 192 1HG2 THR 26 HG21 THR 26 -7.076 10.224 -11.643 193 2HG2 THR 26 HG22 THR 26 -6.450 9.002 -12.751 194 3HG2 THR 26 HG23 THR 26 -5.474 10.419 -12.355 195 HA PRO 27 HA PRO 27 -1.882 12.396 -9.833 196 1HB PRO 27 HB2 PRO 27 -0.238 13.028 -11.764 197 2HB PRO 27 HB1 PRO 27 -0.032 11.472 -10.950 198 1HG PRO 27 HG2 PRO 27 -1.379 12.046 -13.566 199 2HG PRO 27 HG1 PRO 27 -0.178 10.804 -13.192 200 1HD PRO 27 HD2 PRO 27 -2.910 10.388 -13.203 201 2HD PRO 27 HD1 PRO 27 -1.741 9.388 -12.319 202 H ASN 28 HN ASN 28 -4.107 12.148 -12.191 203 HA ASN 28 HA ASN 28 -4.303 14.129 -13.842 204 1HB ASN 28 HB2 ASN 28 -6.100 12.342 -12.807 205 2HB ASN 28 HB1 ASN 28 -6.805 13.888 -12.346 206 1HD2 ASN 28 HD21 ASN 28 -6.141 11.708 -14.898 207 2HD2 ASN 28 HD22 ASN 28 -6.905 12.603 -16.163 208 H GLY 29 HN GLY 29 -2.924 15.552 -12.602 209 1HA GLY 29 HA2 GLY 29 -3.145 17.967 -12.250 210 2HA GLY 29 HA1 GLY 29 -4.528 17.616 -11.231 211 H ASN 30 HN ASN 30 -3.059 15.320 -10.048 212 HA ASN 30 HA ASN 30 -1.385 16.846 -8.183 213 1HB ASN 30 HB2 ASN 30 -2.267 14.190 -7.328 214 2HB ASN 30 HB1 ASN 30 -2.337 15.726 -6.482 215 1HD2 ASN 30 HD21 ASN 30 -3.900 13.910 -9.082 216 2HD2 ASN 30 HD22 ASN 30 -5.487 14.531 -8.797 217 H THR 31 HN THR 31 0.345 15.523 -7.115 218 HA THR 31 HA THR 31 1.525 13.585 -8.985 219 HB THR 31 HB THR 31 2.755 15.598 -9.335 220 HG1 THR 31 HG1 THR 31 4.376 14.269 -9.254 221 1HG2 THR 31 HG21 THR 31 2.804 17.194 -7.809 222 2HG2 THR 31 HG22 THR 31 3.979 16.231 -6.914 223 3HG2 THR 31 HG23 THR 31 2.259 16.085 -6.553 224 H PHE 32 HN PHE 32 3.213 12.226 -7.963 225 HA PHE 32 HA PHE 32 2.516 11.649 -5.160 226 1HB PHE 32 HB2 PHE 32 1.817 9.856 -6.636 227 2HB PHE 32 HB1 PHE 32 3.424 9.768 -7.345 228 HD1 PHE 32 HD1 PHE 32 2.496 10.061 -3.765 229 HD2 PHE 32 HD2 PHE 32 4.125 7.612 -6.839 230 HE1 PHE 32 HE1 PHE 32 3.148 8.390 -2.088 231 HE2 PHE 32 HE2 PHE 32 4.770 5.929 -5.163 232 HZ PHE 32 HZ PHE 32 4.279 6.318 -2.780 233 H ASN 33 HN ASN 33 4.136 11.170 -3.698 234 HA ASN 33 HA ASN 33 6.854 11.883 -4.568 235 1HB ASN 33 HB2 ASN 33 5.457 13.187 -2.709 236 2HB ASN 33 HB1 ASN 33 6.110 11.915 -1.682 237 1HD2 ASN 33 HD21 ASN 33 6.592 14.944 -2.309 238 2HD2 ASN 33 HD22 ASN 33 8.317 15.050 -2.289 239 H GLY 34 HN GLY 34 5.108 9.788 -2.254 240 1HA GLY 34 HA2 GLY 34 6.108 7.375 -2.816 241 2HA GLY 34 HA1 GLY 34 7.469 8.108 -1.994 242 H ILE 35 HN ILE 35 5.791 5.790 -1.258 243 HA ILE 35 HA ILE 35 4.465 6.674 1.141 244 HB ILE 35 HB ILE 35 3.120 5.180 0.217 245 1HG1 ILE 35 HG12 ILE 35 3.249 2.988 1.128 246 2HG1 ILE 35 HG11 ILE 35 4.982 3.110 1.340 247 1HG2 ILE 35 HG21 ILE 35 4.106 3.109 -1.055 248 2HG2 ILE 35 HG22 ILE 35 5.484 4.194 -1.170 249 3HG2 ILE 35 HG23 ILE 35 3.925 4.691 -1.813 250 1HD1 ILE 35 HD11 ILE 35 3.182 3.508 3.294 251 2HD1 ILE 35 HD12 ILE 35 3.410 5.159 2.718 252 3HD1 ILE 35 HD13 ILE 35 4.791 4.214 3.264 253 H SER 36 HN SER 36 6.272 7.323 2.241 254 HA SER 36 HA SER 36 8.594 5.782 2.743 255 1HB SER 36 HB2 SER 36 9.249 7.483 4.205 256 2HB SER 36 HB1 SER 36 8.164 8.331 3.104 257 HG SER 36 HG SER 36 7.909 8.548 5.534 258 H GLU 37 HN GLU 37 5.448 5.685 4.164 259 HA GLU 37 HA GLU 37 5.880 4.659 6.658 260 1HB GLU 37 HB2 GLU 37 3.757 4.913 4.987 261 2HB GLU 37 HB1 GLU 37 3.968 3.178 4.973 262 1HG GLU 37 HG2 GLU 37 3.242 2.946 7.100 263 2HG GLU 37 HG1 GLU 37 3.958 4.476 7.618 264 H LEU 38 HN LEU 38 6.417 3.269 3.504 265 HA LEU 38 HA LEU 38 8.000 1.146 4.689 266 1HB LEU 38 HB2 LEU 38 6.563 0.217 2.330 267 2HB LEU 38 HB1 LEU 38 6.824 -0.564 3.867 268 HG LEU 38 HG LEU 38 4.679 1.485 3.359 269 1HD1 LEU 38 HD11 LEU 38 3.152 -0.467 3.514 270 2HD1 LEU 38 HD12 LEU 38 4.565 -1.517 3.444 271 3HD1 LEU 38 HD13 LEU 38 4.178 -0.471 2.083 272 1HD2 LEU 38 HD21 LEU 38 4.459 1.542 5.569 273 2HD2 LEU 38 HD22 LEU 38 5.801 0.413 5.748 274 3HD2 LEU 38 HD23 LEU 38 4.156 -0.185 5.578 275 H GLN 39 HN GLN 39 9.865 1.995 4.002 276 HA GLN 39 HA GLN 39 10.716 3.516 2.121 277 1HB GLN 39 HB2 GLN 39 12.081 0.892 2.734 278 2HB GLN 39 HB1 GLN 39 12.845 2.314 2.037 279 1HG GLN 39 HG2 GLN 39 13.172 3.227 4.030 280 2HG GLN 39 HG1 GLN 39 11.499 2.944 4.513 281 1HE2 GLN 39 HE21 GLN 39 10.959 0.854 5.375 282 2HE2 GLN 39 HE22 GLN 39 12.160 -0.064 6.207 283 H SER 40 HN SER 40 9.656 3.609 0.449 284 HA SER 40 HA SER 40 8.430 2.524 -1.415 285 1HB SER 40 HB2 SER 40 9.291 4.559 -2.111 286 2HB SER 40 HB1 SER 40 10.961 4.043 -1.880 287 HG SER 40 HG SER 40 9.185 3.183 -3.919 288 H SER 41 HN SER 41 11.789 1.533 -1.040 289 HA SER 41 HA SER 41 12.074 -0.143 -3.193 290 1HB SER 41 HB2 SER 41 14.047 -0.260 -2.112 291 2HB SER 41 HB1 SER 41 13.300 0.091 -0.557 292 HG SER 41 HG SER 41 13.821 -2.364 -1.768 293 H GLN 42 HN GLN 42 9.993 -0.544 -0.476 294 HA GLN 42 HA GLN 42 9.664 -3.319 -0.468 295 1HB GLN 42 HB2 GLN 42 8.186 -2.856 1.140 296 2HB GLN 42 HB1 GLN 42 8.755 -1.220 0.995 297 1HG GLN 42 HG2 GLN 42 6.641 -0.656 0.710 298 2HG GLN 42 HG1 GLN 42 6.755 -1.364 -0.883 299 1HE2 GLN 42 HE21 GLN 42 6.465 -3.838 -0.849 300 2HE2 GLN 42 HE22 GLN 42 5.121 -4.406 0.070 301 H TYR 43 HN TYR 43 8.367 -0.829 -2.444 302 HA TYR 43 HA TYR 43 6.904 -2.810 -4.061 303 1HB TYR 43 HB2 TYR 43 5.317 -1.011 -4.655 304 2HB TYR 43 HB1 TYR 43 5.312 -1.379 -2.935 305 HD1 TYR 43 HD1 TYR 43 6.331 1.081 -5.473 306 HD2 TYR 43 HD2 TYR 43 5.993 0.230 -1.322 307 HE1 TYR 43 HE1 TYR 43 6.707 3.459 -4.961 308 HE2 TYR 43 HE2 TYR 43 6.376 2.593 -0.797 309 HH TYR 43 HH TYR 43 7.527 4.829 -3.058 310 H THR 44 HN THR 44 6.265 -1.277 -6.155 311 HA THR 44 HA THR 44 8.774 -0.308 -7.282 312 HB THR 44 HB THR 44 6.867 -2.202 -8.673 313 HG1 THR 44 HG1 THR 44 9.464 -2.615 -7.620 314 1HG2 THR 44 HG21 THR 44 7.772 -1.445 -10.549 315 2HG2 THR 44 HG22 THR 44 9.266 -2.220 -10.024 316 3HG2 THR 44 HG23 THR 44 8.990 -0.513 -9.677 317 H LYS 45 HN LYS 45 8.093 1.742 -7.159 318 HA LYS 45 HA LYS 45 5.552 2.685 -7.961 319 1HB LYS 45 HB2 LYS 45 7.276 4.849 -8.194 320 2HB LYS 45 HB1 LYS 45 6.326 4.424 -6.785 321 1HG LYS 45 HG2 LYS 45 8.220 3.155 -5.899 322 2HG LYS 45 HG1 LYS 45 9.163 3.562 -7.332 323 1HD LYS 45 HD2 LYS 45 7.945 5.731 -5.669 324 2HD LYS 45 HD1 LYS 45 9.448 4.963 -5.158 325 1HE LYS 45 HE2 LYS 45 10.565 6.291 -6.539 326 2HE LYS 45 HE1 LYS 45 9.729 5.542 -7.900 327 1HZ LYS 45 HZ1 LYS 45 8.435 7.323 -8.176 328 2HZ LYS 45 HZ2 LYS 45 9.568 8.148 -7.229 329 3HZ LYS 45 HZ3 LYS 45 8.165 7.528 -6.520 330 H GLY 46 HN GLY 46 5.197 4.263 -9.702 331 1HA GLY 46 HA2 GLY 46 6.950 4.277 -11.971 332 2HA GLY 46 HA1 GLY 46 5.539 3.254 -12.210 333 H THR 47 HN THR 47 6.539 6.531 -11.347 334 HA THR 47 HA THR 47 5.012 8.386 -11.157 335 HB THR 47 HB THR 47 6.784 8.613 -12.877 336 HG1 THR 47 HG1 THR 47 5.636 10.432 -12.678 337 1HG2 THR 47 HG21 THR 47 4.870 8.273 -15.086 338 2HG2 THR 47 HG22 THR 47 5.500 6.793 -14.360 339 3HG2 THR 47 HG23 THR 47 6.611 7.990 -15.028 340 H ASN 48 HN ASN 48 2.908 8.237 -10.689 341 HA ASN 48 HA ASN 48 0.668 8.465 -11.177 342 1HB ASN 48 HB2 ASN 48 1.097 7.238 -13.894 343 2HB ASN 48 HB1 ASN 48 -0.209 8.285 -13.360 344 1HD2 ASN 48 HD21 ASN 48 0.808 9.051 -15.601 345 2HD2 ASN 48 HD22 ASN 48 1.890 10.386 -15.432 346 H GLU 49 HN GLU 49 2.598 5.762 -11.178 347 HA GLU 49 HA GLU 49 0.387 4.097 -10.308 348 1HB GLU 49 HB2 GLU 49 1.859 3.681 -12.840 349 2HB GLU 49 HB1 GLU 49 1.621 2.253 -11.843 350 1HG GLU 49 HG2 GLU 49 -0.810 3.781 -12.074 351 2HG GLU 49 HG1 GLU 49 -0.164 3.353 -13.657 352 H VAL 50 HN VAL 50 1.205 1.958 -9.497 353 HA VAL 50 HA VAL 50 4.001 1.819 -8.762 354 HB VAL 50 HB VAL 50 1.931 2.110 -6.577 355 1HG1 VAL 50 HG11 VAL 50 4.081 2.263 -5.179 356 2HG1 VAL 50 HG12 VAL 50 4.866 1.517 -6.572 357 3HG1 VAL 50 HG13 VAL 50 3.560 0.674 -5.738 358 1HG2 VAL 50 HG21 VAL 50 3.299 4.174 -6.019 359 2HG2 VAL 50 HG22 VAL 50 2.264 4.279 -7.445 360 3HG2 VAL 50 HG23 VAL 50 4.000 4.020 -7.629 361 H THR 51 HN THR 51 4.411 -0.192 -7.435 362 HA THR 51 HA THR 51 2.286 -2.182 -7.707 363 HB THR 51 HB THR 51 5.004 -2.359 -8.986 364 HG1 THR 51 HG1 THR 51 3.521 -1.522 -10.364 365 1HG2 THR 51 HG21 THR 51 4.956 -4.513 -8.273 366 2HG2 THR 51 HG22 THR 51 3.975 -4.670 -9.729 367 3HG2 THR 51 HG23 THR 51 3.199 -4.554 -8.150 368 H LEU 52 HN LEU 52 2.072 -3.108 -5.779 369 HA LEU 52 HA LEU 52 4.090 -3.036 -3.766 370 1HB LEU 52 HB2 LEU 52 1.336 -3.911 -3.981 371 2HB LEU 52 HB1 LEU 52 2.294 -5.084 -3.101 372 HG LEU 52 HG LEU 52 2.191 -2.172 -2.397 373 1HD1 LEU 52 HD11 LEU 52 0.033 -2.732 -1.910 374 2HD1 LEU 52 HD12 LEU 52 0.830 -3.233 -0.417 375 3HD1 LEU 52 HD13 LEU 52 0.423 -4.430 -1.645 376 1HD2 LEU 52 HD21 LEU 52 4.051 -2.857 -1.317 377 2HD2 LEU 52 HD22 LEU 52 3.560 -4.552 -1.324 378 3HD2 LEU 52 HD23 LEU 52 2.867 -3.437 -0.146 379 H LEU 53 HN LEU 53 5.595 -4.590 -3.209 380 HA LEU 53 HA LEU 53 5.699 -6.832 -5.065 381 1HB LEU 53 HB2 LEU 53 7.682 -5.064 -4.040 382 2HB LEU 53 HB1 LEU 53 8.083 -6.689 -3.518 383 HG LEU 53 HG LEU 53 7.407 -6.242 -6.390 384 1HD1 LEU 53 HD11 LEU 53 9.430 -5.335 -6.970 385 2HD1 LEU 53 HD12 LEU 53 10.227 -5.892 -5.498 386 3HD1 LEU 53 HD13 LEU 53 9.131 -4.511 -5.441 387 1HD2 LEU 53 HD21 LEU 53 8.236 -8.295 -6.627 388 2HD2 LEU 53 HD22 LEU 53 8.212 -8.405 -4.868 389 3HD2 LEU 53 HD23 LEU 53 9.683 -7.901 -5.701 390 H ALA 54 HN ALA 54 4.772 -8.579 -4.331 391 HA ALA 54 HA ALA 54 4.028 -9.320 -1.842 392 1HB ALA 54 HB1 ALA 54 5.121 -11.437 -3.633 393 2HB ALA 54 HB2 ALA 54 3.735 -10.480 -4.158 394 3HB ALA 54 HB3 ALA 54 3.641 -11.428 -2.673 395 H SER 55 HN SER 55 7.265 -9.039 -2.859 396 HA SER 55 HA SER 55 8.405 -11.033 -1.183 397 1HB SER 55 HB2 SER 55 9.685 -8.546 -2.345 398 2HB SER 55 HB1 SER 55 10.549 -9.914 -1.645 399 HG SER 55 HG SER 55 10.532 -10.320 -3.786 400 H TYR 56 HN TYR 56 7.969 -7.534 -0.847 401 HA TYR 56 HA TYR 56 9.094 -7.455 1.781 402 1HB TYR 56 HB2 TYR 56 9.164 -5.402 0.629 403 2HB TYR 56 HB1 TYR 56 7.488 -5.526 0.122 404 HD1 TYR 56 HD1 TYR 56 9.754 -4.475 2.760 405 HD2 TYR 56 HD2 TYR 56 5.673 -5.090 1.737 406 HE1 TYR 56 HE1 TYR 56 9.070 -3.117 4.692 407 HE2 TYR 56 HE2 TYR 56 4.977 -3.731 3.659 408 HH TYR 56 HH TYR 56 6.192 -1.772 5.073 409 H LEU 57 HN LEU 57 5.833 -6.982 0.532 410 HA LEU 57 HA LEU 57 4.441 -6.904 2.887 411 1HB LEU 57 HB2 LEU 57 3.777 -7.010 0.221 412 2HB LEU 57 HB1 LEU 57 3.085 -8.497 0.845 413 HG LEU 57 HG LEU 57 1.695 -7.338 2.366 414 1HD1 LEU 57 HD11 LEU 57 2.066 -4.620 1.966 415 2HD1 LEU 57 HD12 LEU 57 3.698 -5.272 2.122 416 3HD1 LEU 57 HD13 LEU 57 2.511 -5.552 3.395 417 1HD2 LEU 57 HD21 LEU 57 1.667 -6.719 -0.426 418 2HD2 LEU 57 HD22 LEU 57 1.053 -5.345 0.487 419 3HD2 LEU 57 HD23 LEU 57 0.310 -6.933 0.676 420 H ASN 58 HN ASN 58 5.552 -9.758 1.119 421 HA ASN 58 HA ASN 58 4.293 -11.627 2.835 422 1HB ASN 58 HB2 ASN 58 5.073 -12.304 0.625 423 2HB ASN 58 HB1 ASN 58 6.736 -11.938 1.073 424 1HD2 ASN 58 HD21 ASN 58 7.336 -14.066 0.580 425 2HD2 ASN 58 HD22 ASN 58 6.975 -15.376 1.646 426 H THR 59 HN THR 59 7.209 -9.783 3.000 427 HA THR 59 HA THR 59 8.507 -11.303 5.007 428 HB THR 59 HB THR 59 8.867 -8.370 4.404 429 HG1 THR 59 HG1 THR 59 9.841 -10.672 3.115 430 1HG2 THR 59 HG21 THR 59 11.327 -9.443 4.942 431 2HG2 THR 59 HG22 THR 59 10.280 -10.235 6.120 432 3HG2 THR 59 HG23 THR 59 10.353 -8.474 6.047 433 H LEU 60 HN LEU 60 6.306 -8.573 5.033 434 HA LEU 60 HA LEU 60 6.367 -7.589 7.520 435 1HB LEU 60 HB2 LEU 60 4.284 -8.045 5.584 436 2HB LEU 60 HB1 LEU 60 3.652 -8.132 7.218 437 HG LEU 60 HG LEU 60 5.177 -5.891 7.366 438 1HD1 LEU 60 HD11 LEU 60 4.720 -4.558 5.381 439 2HD1 LEU 60 HD12 LEU 60 3.979 -5.956 4.604 440 3HD1 LEU 60 HD13 LEU 60 5.701 -5.969 4.990 441 1HD2 LEU 60 HD21 LEU 60 3.214 -5.128 8.058 442 2HD2 LEU 60 HD22 LEU 60 2.467 -6.610 7.465 443 3HD2 LEU 60 HD23 LEU 60 2.564 -5.193 6.421 444 HA PRO 61 HA PRO 61 5.909 -10.899 10.445 445 1HB PRO 61 HB2 PRO 61 4.937 -8.906 12.352 446 2HB PRO 61 HB1 PRO 61 6.430 -9.850 12.387 447 1HG PRO 61 HG2 PRO 61 6.415 -7.192 11.920 448 2HG PRO 61 HG1 PRO 61 7.606 -8.281 11.187 449 1HD PRO 61 HD2 PRO 61 5.139 -7.084 9.986 450 2HD PRO 61 HD1 PRO 61 6.749 -7.309 9.269 451 H GLU 62 HN GLU 62 4.149 -10.866 12.564 452 HA GLU 62 HA GLU 62 1.842 -12.011 11.525 453 1HB GLU 62 HB2 GLU 62 1.045 -12.134 13.729 454 2HB GLU 62 HB1 GLU 62 2.794 -12.171 13.893 455 1HG GLU 62 HG2 GLU 62 1.117 -9.699 14.219 456 2HG GLU 62 HG1 GLU 62 1.637 -10.733 15.547 457 H ASN 63 HN ASN 63 -0.257 -10.946 12.862 458 HA ASN 63 HA ASN 63 -1.555 -9.447 11.148 459 1HB ASN 63 HB2 ASN 63 -2.130 -10.356 13.613 460 2HB ASN 63 HB1 ASN 63 -2.085 -8.624 13.927 461 1HD2 ASN 63 HD21 ASN 63 -2.994 -7.816 11.351 462 2HD2 ASN 63 HD22 ASN 63 -4.669 -8.224 11.245 463 H THR 64 HN THR 64 0.342 -8.086 10.386 464 HA THR 64 HA THR 64 0.719 -5.635 11.923 465 HB THR 64 HB THR 64 2.153 -5.233 9.658 466 HG1 THR 64 HG1 THR 64 2.475 -7.992 10.089 467 1HG2 THR 64 HG21 THR 64 4.038 -5.587 10.881 468 2HG2 THR 64 HG22 THR 64 3.410 -7.052 11.635 469 3HG2 THR 64 HG23 THR 64 2.849 -5.473 12.180 470 H THR 65 HN THR 65 0.489 -3.529 10.834 471 HA THR 65 HA THR 65 -1.774 -3.580 8.960 472 HB THR 65 HB THR 65 -1.125 -1.121 10.456 473 HG1 THR 65 HG1 THR 65 -2.274 -3.402 11.682 474 1HG2 THR 65 HG21 THR 65 -3.733 -1.481 10.840 475 2HG2 THR 65 HG22 THR 65 -3.530 -2.435 9.371 476 3HG2 THR 65 HG23 THR 65 -3.072 -0.731 9.386 477 H LYS 66 HN LYS 66 -0.042 -3.826 7.294 478 HA LYS 66 HA LYS 66 1.860 -1.952 6.709 479 1HB LYS 66 HB2 LYS 66 0.840 -4.243 5.519 480 2HB LYS 66 HB1 LYS 66 0.533 -2.987 4.335 481 1HG LYS 66 HG2 LYS 66 2.904 -4.390 4.800 482 2HG LYS 66 HG1 LYS 66 2.619 -3.088 3.653 483 1HD LYS 66 HD2 LYS 66 4.464 -2.496 5.024 484 2HD LYS 66 HD1 LYS 66 3.133 -1.468 5.459 485 1HE LYS 66 HE2 LYS 66 2.776 -3.441 7.235 486 2HE LYS 66 HE1 LYS 66 4.515 -3.591 6.998 487 1HZ LYS 66 HZ1 LYS 66 3.672 -0.877 7.359 488 2HZ LYS 66 HZ2 LYS 66 4.887 -1.742 8.155 489 3HZ LYS 66 HZ3 LYS 66 3.286 -1.856 8.684 490 H THR 67 HN THR 67 1.512 0.131 6.730 491 HA THR 67 HA THR 67 -0.889 1.172 5.416 492 HB THR 67 HB THR 67 1.045 2.646 7.184 493 HG1 THR 67 HG1 THR 67 -1.311 1.230 7.789 494 1HG2 THR 67 HG21 THR 67 -0.516 3.950 5.640 495 2HG2 THR 67 HG22 THR 67 -0.501 4.364 7.354 496 3HG2 THR 67 HG23 THR 67 -1.805 3.376 6.696 497 H LEU 68 HN LEU 68 -0.666 1.718 3.401 498 HA LEU 68 HA LEU 68 1.919 2.575 2.368 499 1HB LEU 68 HB2 LEU 68 0.010 0.906 1.350 500 2HB LEU 68 HB1 LEU 68 -0.348 2.401 0.515 501 HG LEU 68 HG LEU 68 1.982 2.486 -0.299 502 1HD1 LEU 68 HD11 LEU 68 2.884 1.119 1.612 503 2HD1 LEU 68 HD12 LEU 68 3.493 0.697 0.011 504 3HD1 LEU 68 HD13 LEU 68 2.261 -0.299 0.777 505 1HD2 LEU 68 HD21 LEU 68 -0.089 1.026 -1.262 506 2HD2 LEU 68 HD22 LEU 68 1.166 -0.197 -1.146 507 3HD2 LEU 68 HD23 LEU 68 1.441 1.256 -2.097 508 H THR 69 HN THR 69 1.726 4.678 3.549 509 HA THR 69 HA THR 69 -0.322 6.484 2.648 510 HB THR 69 HB THR 69 2.101 6.830 4.413 511 HG1 THR 69 HG1 THR 69 0.232 5.725 5.241 512 1HG2 THR 69 HG21 THR 69 2.012 9.014 4.017 513 2HG2 THR 69 HG22 THR 69 0.502 8.987 4.926 514 3HG2 THR 69 HG23 THR 69 0.474 8.891 3.166 515 H PHE 70 HN PHE 70 -0.077 6.775 0.452 516 HA PHE 70 HA PHE 70 2.407 7.320 -0.803 517 1HB PHE 70 HB2 PHE 70 -0.459 7.669 -1.662 518 2HB PHE 70 HB1 PHE 70 0.894 8.070 -2.703 519 HD1 PHE 70 HD1 PHE 70 1.718 6.462 -4.128 520 HD2 PHE 70 HD2 PHE 70 -0.429 5.256 -0.663 521 HE1 PHE 70 HE1 PHE 70 1.823 4.121 -4.879 522 HE2 PHE 70 HE2 PHE 70 -0.323 2.914 -1.406 523 HZ PHE 70 HZ PHE 70 0.801 2.344 -3.520 524 H ASP 71 HN ASP 71 3.550 9.115 -0.262 525 HA ASP 71 HA ASP 71 2.296 11.518 0.621 526 1HB ASP 71 HB2 ASP 71 4.532 11.001 1.343 527 2HB ASP 71 HB1 ASP 71 5.107 10.986 -0.313 528 H PHE 72 HN PHE 72 0.871 12.149 -0.872 529 HA PHE 72 HA PHE 72 1.753 12.761 -3.584 530 1HB PHE 72 HB2 PHE 72 -0.809 12.182 -2.302 531 2HB PHE 72 HB1 PHE 72 -0.887 13.549 -3.408 532 HD1 PHE 72 HD1 PHE 72 0.306 10.029 -3.220 533 HD2 PHE 72 HD2 PHE 72 -1.188 13.172 -5.665 534 HE1 PHE 72 HE1 PHE 72 0.156 8.475 -5.120 535 HE2 PHE 72 HE2 PHE 72 -1.342 11.623 -7.569 536 HZ PHE 72 HZ PHE 72 -0.666 9.271 -7.299 537 H GLY 73 HN GLY 73 2.583 14.274 -1.155 538 1HA GLY 73 HA2 GLY 73 3.221 16.490 -0.923 539 2HA GLY 73 HA1 GLY 73 2.160 16.899 -2.257 540 H VAL 74 HN VAL 74 0.007 15.305 -0.712 541 HA VAL 74 HA VAL 74 -1.007 17.620 0.687 542 HB VAL 74 HB VAL 74 -3.050 16.289 1.014 543 1HG1 VAL 74 HG11 VAL 74 -1.905 16.405 -1.760 544 2HG1 VAL 74 HG12 VAL 74 -2.976 17.563 -0.972 545 3HG1 VAL 74 HG13 VAL 74 -3.583 15.971 -1.428 546 1HG2 VAL 74 HG21 VAL 74 -3.185 14.080 -0.193 547 2HG2 VAL 74 HG22 VAL 74 -2.236 14.082 1.288 548 3HG2 VAL 74 HG23 VAL 74 -1.424 14.111 -0.272 549 H GLY 75 HN GLY 75 -0.294 14.224 1.520 550 1HA GLY 75 HA2 GLY 75 0.472 13.336 3.495 551 2HA GLY 75 HA1 GLY 75 0.707 14.962 4.090 552 H THR 76 HN THR 76 -1.549 16.078 4.367 553 HA THR 76 HA THR 76 -2.728 15.097 6.628 554 HB THR 76 HB THR 76 -4.055 16.782 4.504 555 HG1 THR 76 HG1 THR 76 -2.847 18.342 5.189 556 1HG2 THR 76 HG21 THR 76 -5.122 15.805 6.913 557 2HG2 THR 76 HG22 THR 76 -5.801 17.021 5.830 558 3HG2 THR 76 HG23 THR 76 -4.759 17.513 7.164 559 H LYS 77 HN LYS 77 -4.369 15.061 3.467 560 HA LYS 77 HA LYS 77 -5.854 12.719 4.370 561 1HB LYS 77 HB2 LYS 77 -6.605 14.514 2.077 562 2HB LYS 77 HB1 LYS 77 -7.622 13.347 2.910 563 1HG LYS 77 HG2 LYS 77 -7.094 14.876 4.987 564 2HG LYS 77 HG1 LYS 77 -6.803 16.080 3.731 565 1HD LYS 77 HD2 LYS 77 -9.066 16.339 4.260 566 2HD LYS 77 HD1 LYS 77 -9.076 15.370 2.786 567 1HE LYS 77 HE2 LYS 77 -9.814 13.502 3.855 568 2HE LYS 77 HE1 LYS 77 -9.005 13.913 5.365 569 1HZ LYS 77 HZ1 LYS 77 -10.734 15.736 5.562 570 2HZ LYS 77 HZ2 LYS 77 -11.274 14.150 5.796 571 3HZ LYS 77 HZ3 LYS 77 -11.579 14.938 4.331 572 H ASN 78 HN ASN 78 -3.129 12.808 3.042 573 HA ASN 78 HA ASN 78 -3.227 11.969 0.421 574 1HB ASN 78 HB2 ASN 78 -1.086 10.792 1.009 575 2HB ASN 78 HB1 ASN 78 -1.132 12.493 1.416 576 1HD2 ASN 78 HD21 ASN 78 0.741 11.308 2.665 577 2HD2 ASN 78 HD22 ASN 78 0.345 10.915 4.301 578 HA PRO 79 HA PRO 79 -5.401 8.108 0.618 579 1HB PRO 79 HB2 PRO 79 -3.819 7.367 -1.762 580 2HB PRO 79 HB1 PRO 79 -5.568 7.470 -1.559 581 1HG PRO 79 HG2 PRO 79 -4.214 9.301 -2.972 582 2HG PRO 79 HG1 PRO 79 -5.627 9.735 -1.993 583 1HD PRO 79 HD2 PRO 79 -2.721 10.138 -1.419 584 2HD PRO 79 HD1 PRO 79 -4.102 11.196 -1.062 585 H LYS 80 HN LYS 80 -4.521 7.111 2.415 586 HA LYS 80 HA LYS 80 -1.979 5.695 2.104 587 1HB LYS 80 HB2 LYS 80 -2.386 5.181 4.588 588 2HB LYS 80 HB1 LYS 80 -1.986 6.833 4.144 589 1HG LYS 80 HG2 LYS 80 -4.845 6.361 4.128 590 2HG LYS 80 HG1 LYS 80 -4.114 6.014 5.697 591 1HD LYS 80 HD2 LYS 80 -3.527 8.183 6.056 592 2HD LYS 80 HD1 LYS 80 -3.273 8.511 4.341 593 1HE LYS 80 HE2 LYS 80 -5.954 8.202 5.691 594 2HE LYS 80 HE1 LYS 80 -5.204 9.735 5.244 595 1HZ LYS 80 HZ1 LYS 80 -5.193 8.871 2.906 596 2HZ LYS 80 HZ2 LYS 80 -6.726 9.194 3.545 597 3HZ LYS 80 HZ3 LYS 80 -6.176 7.598 3.434 598 H LEU 81 HN LEU 81 -1.982 3.655 1.503 599 HA LEU 81 HA LEU 81 -4.412 2.135 1.423 600 1HB LEU 81 HB2 LEU 81 -2.221 2.184 -0.146 601 2HB LEU 81 HB1 LEU 81 -1.857 0.788 0.845 602 HG LEU 81 HG LEU 81 -4.119 1.182 -1.068 603 1HD1 LEU 81 HD11 LEU 81 -1.781 0.101 -1.536 604 2HD1 LEU 81 HD12 LEU 81 -3.252 -0.625 -2.180 605 3HD1 LEU 81 HD13 LEU 81 -2.498 -1.291 -0.732 606 1HD2 LEU 81 HD21 LEU 81 -5.197 0.415 0.938 607 2HD2 LEU 81 HD22 LEU 81 -3.980 -0.839 1.154 608 3HD2 LEU 81 HD23 LEU 81 -5.097 -0.916 -0.204 609 H THR 82 HN THR 82 -5.112 1.394 3.374 610 HA THR 82 HA THR 82 -3.250 0.437 5.342 611 HB THR 82 HB THR 82 -6.260 0.112 5.321 612 HG1 THR 82 HG1 THR 82 -6.358 2.072 6.343 613 1HG2 THR 82 HG21 THR 82 -5.171 0.626 7.890 614 2HG2 THR 82 HG22 THR 82 -4.305 -0.727 7.170 615 3HG2 THR 82 HG23 THR 82 -6.061 -0.781 7.325 616 H ILE 83 HN ILE 83 -2.437 -1.523 5.460 617 HA ILE 83 HA ILE 83 -3.852 -3.744 4.144 618 HB ILE 83 HB ILE 83 -0.990 -2.940 3.974 619 1HG1 ILE 83 HG12 ILE 83 -3.023 -4.112 2.086 620 2HG1 ILE 83 HG11 ILE 83 -2.342 -2.490 2.057 621 1HG2 ILE 83 HG21 ILE 83 -0.346 -5.235 3.310 622 2HG2 ILE 83 HG22 ILE 83 -1.924 -5.803 3.859 623 3HG2 ILE 83 HG23 ILE 83 -0.786 -5.106 5.014 624 1HD1 ILE 83 HD11 ILE 83 -0.765 -3.184 0.672 625 2HD1 ILE 83 HD12 ILE 83 -1.454 -4.810 0.715 626 3HD1 ILE 83 HD13 ILE 83 -0.212 -4.348 1.877 627 H THR 84 HN THR 84 -4.078 -5.572 5.284 628 HA THR 84 HA THR 84 -2.895 -5.634 7.972 629 HB THR 84 HB THR 84 -5.128 -7.450 7.577 630 HG1 THR 84 HG1 THR 84 -5.495 -4.701 7.031 631 1HG2 THR 84 HG21 THR 84 -5.878 -6.670 9.615 632 2HG2 THR 84 HG22 THR 84 -5.138 -5.084 9.395 633 3HG2 THR 84 HG23 THR 84 -4.128 -6.487 9.747 634 H VAL 85 HN VAL 85 -1.043 -6.770 7.618 635 HA VAL 85 HA VAL 85 -1.149 -9.269 6.132 636 HB VAL 85 HB VAL 85 1.245 -8.119 7.531 637 1HG1 VAL 85 HG11 VAL 85 0.836 -10.521 6.222 638 2HG1 VAL 85 HG12 VAL 85 2.393 -9.784 6.607 639 3HG1 VAL 85 HG13 VAL 85 1.654 -9.513 5.027 640 1HG2 VAL 85 HG21 VAL 85 0.129 -7.470 4.813 641 2HG2 VAL 85 HG22 VAL 85 1.813 -7.184 5.248 642 3HG2 VAL 85 HG23 VAL 85 0.522 -6.357 6.123 643 H LEU 86 HN LEU 86 -1.337 -11.197 7.037 644 HA LEU 86 HA LEU 86 -1.314 -11.390 9.950 645 1HB LEU 86 HB2 LEU 86 -2.023 -13.679 8.170 646 2HB LEU 86 HB1 LEU 86 -2.650 -13.269 9.756 647 HG LEU 86 HG LEU 86 -3.399 -12.101 7.093 648 1HD1 LEU 86 HD11 LEU 86 -4.549 -13.955 8.945 649 2HD1 LEU 86 HD12 LEU 86 -5.122 -13.468 7.350 650 3HD1 LEU 86 HD13 LEU 86 -5.599 -12.548 8.779 651 1HD2 LEU 86 HD21 LEU 86 -3.616 -10.087 8.011 652 2HD2 LEU 86 HD22 LEU 86 -3.209 -10.702 9.612 653 3HD2 LEU 86 HD23 LEU 86 -4.876 -10.769 9.040 654 HA PRO 87 HA PRO 87 2.450 -13.676 10.138 655 1HB PRO 87 HB2 PRO 87 2.051 -15.342 12.210 656 2HB PRO 87 HB1 PRO 87 2.188 -13.596 12.430 657 1HG PRO 87 HG2 PRO 87 -0.247 -15.315 12.369 658 2HG PRO 87 HG1 PRO 87 0.113 -13.924 13.404 659 1HD PRO 87 HD2 PRO 87 -1.486 -13.824 11.169 660 2HD PRO 87 HD1 PRO 87 -0.633 -12.428 11.850 661 H LYS 88 HN LYS 88 -0.448 -15.534 10.099 662 HA LYS 88 HA LYS 88 0.325 -18.105 9.754 663 1HB LYS 88 HB2 LYS 88 -1.644 -17.523 7.730 664 2HB LYS 88 HB1 LYS 88 -1.808 -18.445 9.214 665 1HG LYS 88 HG2 LYS 88 -2.234 -16.384 10.453 666 2HG LYS 88 HG1 LYS 88 -2.070 -15.458 8.960 667 1HD LYS 88 HD2 LYS 88 -4.021 -17.710 9.049 668 2HD LYS 88 HD1 LYS 88 -4.436 -16.194 9.851 669 1HE LYS 88 HE2 LYS 88 -3.679 -15.129 7.591 670 2HE LYS 88 HE1 LYS 88 -3.971 -16.745 6.952 671 1HZ LYS 88 HZ1 LYS 88 -6.227 -16.640 7.603 672 2HZ LYS 88 HZ2 LYS 88 -5.895 -15.178 6.823 673 3HZ LYS 88 HZ3 LYS 88 -5.989 -15.232 8.510 674 H ASP 89 HN ASP 89 0.456 -19.448 7.762 675 HA ASP 89 HA ASP 89 1.366 -18.200 5.340 676 1HB ASP 89 HB2 ASP 89 3.343 -18.263 7.056 677 2HB ASP 89 HB1 ASP 89 3.405 -19.973 6.641 678 H ILE 90 HN ILE 90 1.376 -19.603 3.596 679 HA ILE 90 HA ILE 90 0.486 -22.354 4.179 680 HB ILE 90 HB ILE 90 -0.205 -20.825 1.679 681 1HG1 ILE 90 HG12 ILE 90 -1.082 -19.717 3.772 682 2HG1 ILE 90 HG11 ILE 90 -2.317 -20.236 2.629 683 1HG2 ILE 90 HG21 ILE 90 -1.617 -23.175 2.910 684 2HG2 ILE 90 HG22 ILE 90 -0.284 -23.357 1.768 685 3HG2 ILE 90 HG23 ILE 90 -1.766 -22.542 1.271 686 1HD1 ILE 90 HD11 ILE 90 -3.187 -21.734 4.055 687 2HD1 ILE 90 HD12 ILE 90 -2.410 -20.717 5.268 688 3HD1 ILE 90 HD13 ILE 90 -1.615 -22.188 4.710 689 HA PRO 91 HA PRO 91 4.484 -22.610 1.831 690 1HB PRO 91 HB2 PRO 91 5.501 -24.651 3.297 691 2HB PRO 91 HB1 PRO 91 5.674 -22.956 3.765 692 1HG PRO 91 HG2 PRO 91 3.726 -25.006 4.748 693 2HG PRO 91 HG1 PRO 91 4.644 -23.804 5.673 694 1HD PRO 91 HD2 PRO 91 2.041 -23.456 5.011 695 2HD PRO 91 HD1 PRO 91 3.179 -22.102 5.156 696 H GLY 92 HN GLY 92 5.159 -24.220 0.373 697 1HA GLY 92 HA2 GLY 92 4.755 -25.866 -1.175 698 2HA GLY 92 HA1 GLY 92 4.363 -26.851 0.223 699 H LEU 93 HN LEU 93 2.664 -24.020 -1.061 700 HA LEU 93 HA LEU 93 0.107 -24.962 -0.690 701 1HB LEU 93 HB2 LEU 93 1.345 -22.923 -2.440 702 2HB LEU 93 HB1 LEU 93 -0.265 -23.443 -2.882 703 HG LEU 93 HG LEU 93 0.083 -22.744 -0.039 704 1HD1 LEU 93 HD11 LEU 93 0.604 -20.809 -2.244 705 2HD1 LEU 93 HD12 LEU 93 1.352 -20.935 -0.652 706 3HD1 LEU 93 HD13 LEU 93 -0.269 -20.270 -0.813 707 1HD2 LEU 93 HD21 LEU 93 -2.079 -23.336 -0.951 708 2HD2 LEU 93 HD22 LEU 93 -1.949 -22.051 -2.153 709 3HD2 LEU 93 HD23 LEU 93 -2.074 -21.647 -0.440 710 H GLU 94 HN GLU 94 -0.184 -27.097 -1.255 711 HA GLU 94 HA GLU 94 0.577 -28.392 -3.560 712 1HB GLU 94 HB2 GLU 94 -1.095 -30.029 -3.082 713 2HB GLU 94 HB1 GLU 94 -0.482 -29.437 -1.546 714 1HG GLU 94 HG2 GLU 94 -2.971 -28.330 -2.798 715 2HG GLU 94 HG1 GLU 94 -2.990 -29.758 -1.762 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -4.038 18.600 0.328 2 2H MET 1 HT2 MET 1 -2.768 19.626 0.851 3 3H MET 1 HT3 MET 1 -2.695 18.885 -0.690 4 HA MET 1 HA MET 1 -4.903 20.656 0.027 5 1HB MET 1 HB2 MET 1 -2.791 21.824 0.540 6 2HB MET 1 HB1 MET 1 -2.204 21.463 -1.073 7 1HG MET 1 HG2 MET 1 -3.650 22.961 -2.077 8 2HG MET 1 HG1 MET 1 -4.755 22.969 -0.701 9 1HE MET 1 HE1 MET 1 -1.113 24.943 -1.836 10 2HE MET 1 HE2 MET 1 -1.146 23.228 -1.420 11 3HE MET 1 HE3 MET 1 -0.528 24.407 -0.260 12 H GLN 2 HN GLN 2 -4.412 18.213 -1.661 13 HA GLN 2 HA GLN 2 -5.385 19.374 -4.171 14 1HB GLN 2 HB2 GLN 2 -3.384 17.115 -4.093 15 2HB GLN 2 HB1 GLN 2 -3.997 17.944 -5.515 16 1HG GLN 2 HG2 GLN 2 -2.515 19.461 -3.412 17 2HG GLN 2 HG1 GLN 2 -1.643 18.513 -4.617 18 1HE2 GLN 2 HE21 GLN 2 -0.818 20.737 -5.063 19 2HE2 GLN 2 HE22 GLN 2 -1.684 21.690 -6.212 20 H ASP 3 HN ASP 3 -6.028 17.341 -5.652 21 HA ASP 3 HA ASP 3 -7.729 15.642 -3.952 22 1HB ASP 3 HB2 ASP 3 -9.205 15.483 -5.996 23 2HB ASP 3 HB1 ASP 3 -9.127 17.077 -5.248 24 HA PRO 4 HA PRO 4 -4.647 12.963 -6.331 25 1HB PRO 4 HB2 PRO 4 -3.817 11.572 -4.135 26 2HB PRO 4 HB1 PRO 4 -3.033 13.048 -4.704 27 1HG PRO 4 HG2 PRO 4 -5.042 12.700 -2.513 28 2HG PRO 4 HG1 PRO 4 -3.563 13.677 -2.529 29 1HD PRO 4 HD2 PRO 4 -5.989 14.774 -2.908 30 2HD PRO 4 HD1 PRO 4 -4.550 15.375 -3.758 31 H THR 5 HN THR 5 -5.588 11.240 -7.280 32 HA THR 5 HA THR 5 -7.639 9.816 -5.763 33 HB THR 5 HB THR 5 -8.809 10.287 -7.587 34 HG1 THR 5 HG1 THR 5 -8.359 8.064 -7.952 35 1HG2 THR 5 HG21 THR 5 -7.794 10.825 -9.828 36 2HG2 THR 5 HG22 THR 5 -6.235 10.812 -9.004 37 3HG2 THR 5 HG23 THR 5 -7.482 11.957 -8.513 38 H ILE 6 HN ILE 6 -7.326 7.834 -5.100 39 HA ILE 6 HA ILE 6 -5.271 6.158 -6.396 40 HB ILE 6 HB ILE 6 -4.471 6.985 -4.213 41 1HG1 ILE 6 HG12 ILE 6 -4.053 4.720 -3.174 42 2HG1 ILE 6 HG11 ILE 6 -5.140 4.042 -4.380 43 1HG2 ILE 6 HG21 ILE 6 -6.633 7.287 -3.130 44 2HG2 ILE 6 HG22 ILE 6 -5.588 6.256 -2.151 45 3HG2 ILE 6 HG23 ILE 6 -6.883 5.541 -3.115 46 1HD1 ILE 6 HD11 ILE 6 -3.150 3.694 -5.407 47 2HD1 ILE 6 HD12 ILE 6 -2.398 5.107 -4.673 48 3HD1 ILE 6 HD13 ILE 6 -3.511 5.304 -6.028 49 H ASN 7 HN ASN 7 -5.696 3.879 -6.385 50 HA ASN 7 HA ASN 7 -8.392 3.248 -6.702 51 1HB ASN 7 HB2 ASN 7 -7.154 0.793 -6.281 52 2HB ASN 7 HB1 ASN 7 -7.558 1.544 -7.811 53 1HD2 ASN 7 HD21 ASN 7 -5.081 2.500 -5.438 54 2HD2 ASN 7 HD22 ASN 7 -3.755 2.302 -6.517 55 HA PRO 8 HA PRO 8 -9.188 1.477 -2.792 56 1HB PRO 8 HB2 PRO 8 -7.765 -0.448 -1.740 57 2HB PRO 8 HB1 PRO 8 -8.544 -0.685 -3.281 58 1HG PRO 8 HG2 PRO 8 -5.682 -0.344 -2.643 59 2HG PRO 8 HG1 PRO 8 -6.434 -1.097 -4.060 60 1HD PRO 8 HD2 PRO 8 -5.430 1.603 -3.761 61 2HD PRO 8 HD1 PRO 8 -6.051 0.802 -5.212 62 H THR 9 HN THR 9 -8.720 1.017 -0.341 63 HA THR 9 HA THR 9 -6.505 2.581 0.693 64 HB THR 9 HB THR 9 -9.390 3.266 1.272 65 HG1 THR 9 HG1 THR 9 -7.305 4.665 -0.032 66 1HG2 THR 9 HG21 THR 9 -6.971 3.814 2.786 67 2HG2 THR 9 HG22 THR 9 -8.665 3.993 3.242 68 3HG2 THR 9 HG23 THR 9 -7.858 5.268 2.330 69 H SER 10 HN SER 10 -8.153 -0.210 0.824 70 HA SER 10 HA SER 10 -7.096 -0.900 3.367 71 1HB SER 10 HB2 SER 10 -9.829 0.116 3.293 72 2HB SER 10 HB1 SER 10 -9.721 -1.486 4.013 73 HG SER 10 HG SER 10 -8.230 0.803 4.774 74 H ILE 11 HN ILE 11 -6.880 -3.047 3.605 75 HA ILE 11 HA ILE 11 -8.607 -4.960 2.379 76 HB ILE 11 HB ILE 11 -6.758 -6.046 1.077 77 1HG1 ILE 11 HG12 ILE 11 -5.460 -3.396 1.640 78 2HG1 ILE 11 HG11 ILE 11 -4.800 -5.006 1.882 79 1HG2 ILE 11 HG21 ILE 11 -8.664 -4.603 0.166 80 2HG2 ILE 11 HG22 ILE 11 -7.289 -4.909 -0.889 81 3HG2 ILE 11 HG23 ILE 11 -7.435 -3.361 -0.057 82 1HD1 ILE 11 HD11 ILE 11 -5.334 -3.710 -0.773 83 2HD1 ILE 11 HD12 ILE 11 -4.652 -5.319 -0.521 84 3HD1 ILE 11 HD13 ILE 11 -3.758 -3.889 -0.003 85 H SER 12 HN SER 12 -7.617 -7.249 2.710 86 HA SER 12 HA SER 12 -5.735 -7.359 4.929 87 1HB SER 12 HB2 SER 12 -7.882 -9.129 5.599 88 2HB SER 12 HB1 SER 12 -7.228 -7.783 6.533 89 HG SER 12 HG SER 12 -9.302 -7.724 4.604 90 H ALA 13 HN ALA 13 -4.526 -9.171 4.973 91 HA ALA 13 HA ALA 13 -5.280 -11.656 3.876 92 1HB ALA 13 HB1 ALA 13 -3.067 -10.941 2.202 93 2HB ALA 13 HB2 ALA 13 -4.381 -9.787 1.972 94 3HB ALA 13 HB3 ALA 13 -4.671 -11.512 1.743 95 H LYS 14 HN LYS 14 -3.563 -13.245 4.051 96 HA LYS 14 HA LYS 14 -1.926 -12.801 6.339 97 1HB LYS 14 HB2 LYS 14 -2.975 -15.012 5.581 98 2HB LYS 14 HB1 LYS 14 -1.652 -15.116 4.430 99 1HG LYS 14 HG2 LYS 14 -0.162 -15.697 5.995 100 2HG LYS 14 HG1 LYS 14 -0.824 -14.578 7.189 101 1HD LYS 14 HD2 LYS 14 -1.955 -17.273 6.434 102 2HD LYS 14 HD1 LYS 14 -1.112 -16.873 7.932 103 1HE LYS 14 HE2 LYS 14 -3.117 -16.422 8.796 104 2HE LYS 14 HE1 LYS 14 -3.125 -14.983 7.777 105 1HZ LYS 14 HZ1 LYS 14 -4.783 -17.260 7.631 106 2HZ LYS 14 HZ2 LYS 14 -3.931 -17.100 6.179 107 3HZ LYS 14 HZ3 LYS 14 -4.878 -15.820 6.746 108 H ALA 15 HN ALA 15 0.341 -12.652 6.472 109 HA ALA 15 HA ALA 15 1.552 -11.244 4.363 110 1HB ALA 15 HB1 ALA 15 2.192 -11.178 6.850 111 2HB ALA 15 HB2 ALA 15 3.505 -11.117 5.673 112 3HB ALA 15 HB3 ALA 15 3.138 -12.626 6.512 113 H GLY 16 HN GLY 16 1.765 -12.100 2.525 114 1HA GLY 16 HA2 GLY 16 3.549 -13.488 1.350 115 2HA GLY 16 HA1 GLY 16 2.837 -14.818 2.265 116 H SER 17 HN SER 17 0.140 -13.976 2.147 117 HA SER 17 HA SER 17 -0.586 -15.013 -0.392 118 1HB SER 17 HB2 SER 17 -2.803 -13.758 0.749 119 2HB SER 17 HB1 SER 17 -2.377 -15.457 0.883 120 HG SER 17 HG SER 17 -2.646 -14.501 2.926 121 H PHE 18 HN PHE 18 0.800 -12.229 0.213 122 HA PHE 18 HA PHE 18 -0.945 -10.528 -1.353 123 1HB PHE 18 HB2 PHE 18 1.497 -10.039 0.316 124 2HB PHE 18 HB1 PHE 18 0.714 -8.803 -0.629 125 HD1 PHE 18 HD1 PHE 18 -1.740 -8.293 -0.132 126 HD2 PHE 18 HD2 PHE 18 0.779 -10.519 2.463 127 HE1 PHE 18 HE1 PHE 18 -3.272 -7.841 1.734 128 HE2 PHE 18 HE2 PHE 18 -0.741 -10.073 4.337 129 HZ PHE 18 HZ PHE 18 -2.772 -8.734 3.972 130 H ALA 19 HN ALA 19 -0.459 -11.797 -3.274 131 HA ALA 19 HA ALA 19 2.177 -11.947 -4.312 132 1HB ALA 19 HB1 ALA 19 0.868 -13.488 -5.363 133 2HB ALA 19 HB2 ALA 19 0.742 -12.183 -6.541 134 3HB ALA 19 HB3 ALA 19 -0.546 -12.441 -5.370 135 H ASP 20 HN ASP 20 3.201 -10.692 -5.878 136 HA ASP 20 HA ASP 20 3.289 -8.043 -5.716 137 1HB ASP 20 HB2 ASP 20 4.804 -9.256 -7.167 138 2HB ASP 20 HB1 ASP 20 3.496 -9.607 -8.290 139 H THR 21 HN THR 21 1.995 -6.344 -5.998 140 HA THR 21 HA THR 21 -0.179 -6.554 -7.946 141 HB THR 21 HB THR 21 -0.424 -6.014 -5.015 142 HG1 THR 21 HG1 THR 21 -2.250 -7.323 -5.314 143 1HG2 THR 21 HG21 THR 21 -1.365 -4.000 -6.077 144 2HG2 THR 21 HG22 THR 21 -2.582 -4.989 -5.269 145 3HG2 THR 21 HG23 THR 21 -2.434 -5.034 -7.026 146 H LYS 22 HN LYS 22 -0.569 -4.747 -9.055 147 HA LYS 22 HA LYS 22 1.130 -2.470 -8.512 148 1HB LYS 22 HB2 LYS 22 0.089 -2.056 -11.004 149 2HB LYS 22 HB1 LYS 22 1.633 -2.809 -10.672 150 1HG LYS 22 HG2 LYS 22 0.501 -5.015 -10.697 151 2HG LYS 22 HG1 LYS 22 -0.979 -4.195 -11.189 152 1HD LYS 22 HD2 LYS 22 1.268 -3.423 -12.842 153 2HD LYS 22 HD1 LYS 22 1.013 -5.170 -12.859 154 1HE LYS 22 HE2 LYS 22 -0.256 -4.151 -14.637 155 2HE LYS 22 HE1 LYS 22 -1.356 -4.782 -13.412 156 1HZ LYS 22 HZ1 LYS 22 -1.376 -2.451 -12.489 157 2HZ LYS 22 HZ2 LYS 22 -2.156 -2.665 -13.973 158 3HZ LYS 22 HZ3 LYS 22 -0.620 -1.961 -13.921 159 H ILE 23 HN ILE 23 0.230 -0.797 -7.565 160 HA ILE 23 HA ILE 23 -2.633 -0.376 -7.690 161 HB ILE 23 HB ILE 23 -0.609 0.105 -5.777 162 1HG1 ILE 23 HG12 ILE 23 -3.581 0.369 -5.944 163 2HG1 ILE 23 HG11 ILE 23 -2.613 -0.743 -4.996 164 1HG2 ILE 23 HG21 ILE 23 -1.131 2.457 -5.144 165 2HG2 ILE 23 HG22 ILE 23 -1.956 2.643 -6.688 166 3HG2 ILE 23 HG23 ILE 23 -0.229 2.302 -6.650 167 1HD1 ILE 23 HD11 ILE 23 -1.925 1.615 -3.868 168 2HD1 ILE 23 HD12 ILE 23 -3.211 0.559 -3.287 169 3HD1 ILE 23 HD13 ILE 23 -3.598 1.925 -4.330 170 H THR 24 HN THR 24 -3.496 1.797 -8.184 171 HA THR 24 HA THR 24 -1.842 3.149 -10.210 172 HB THR 24 HB THR 24 -4.860 3.002 -10.117 173 HG1 THR 24 HG1 THR 24 -4.264 1.007 -10.693 174 1HG2 THR 24 HG21 THR 24 -2.946 4.349 -11.911 175 2HG2 THR 24 HG22 THR 24 -4.595 4.787 -11.467 176 3HG2 THR 24 HG23 THR 24 -4.310 3.524 -12.665 177 H LEU 25 HN LEU 25 -1.057 4.955 -9.353 178 HA LEU 25 HA LEU 25 -2.619 6.481 -7.434 179 1HB LEU 25 HB2 LEU 25 0.198 6.169 -8.187 180 2HB LEU 25 HB1 LEU 25 -0.272 7.796 -7.766 181 HG LEU 25 HG LEU 25 -1.367 6.229 -5.748 182 1HD1 LEU 25 HD11 LEU 25 0.035 4.568 -5.153 183 2HD1 LEU 25 HD12 LEU 25 1.460 5.399 -5.777 184 3HD1 LEU 25 HD13 LEU 25 0.378 4.551 -6.882 185 1HD2 LEU 25 HD21 LEU 25 0.274 8.438 -6.013 186 2HD2 LEU 25 HD22 LEU 25 1.246 7.290 -5.092 187 3HD2 LEU 25 HD23 LEU 25 -0.341 7.767 -4.505 188 H THR 26 HN THR 26 -4.198 7.431 -8.736 189 HA THR 26 HA THR 26 -3.606 8.761 -11.169 190 HB THR 26 HB THR 26 -5.998 9.049 -9.351 191 HG1 THR 26 HG1 THR 26 -6.871 7.429 -10.500 192 1HG2 THR 26 HG21 THR 26 -5.949 10.887 -10.906 193 2HG2 THR 26 HG22 THR 26 -7.199 9.738 -11.378 194 3HG2 THR 26 HG23 THR 26 -5.666 9.782 -12.247 195 HA PRO 27 HA PRO 27 -2.051 12.488 -9.165 196 1HB PRO 27 HB2 PRO 27 -0.350 13.148 -11.037 197 2HB PRO 27 HB1 PRO 27 -0.122 11.616 -10.182 198 1HG PRO 27 HG2 PRO 27 -1.383 12.092 -12.862 199 2HG PRO 27 HG1 PRO 27 -0.146 10.909 -12.420 200 1HD PRO 27 HD2 PRO 27 -2.847 10.367 -12.533 201 2HD PRO 27 HD1 PRO 27 -1.678 9.445 -11.570 202 H ASN 28 HN ASN 28 -4.180 12.131 -11.577 203 HA ASN 28 HA ASN 28 -4.387 14.059 -13.285 204 1HB ASN 28 HB2 ASN 28 -6.189 12.293 -12.125 205 2HB ASN 28 HB1 ASN 28 -6.937 13.873 -11.925 206 1HD2 ASN 28 HD21 ASN 28 -8.368 14.182 -13.460 207 2HD2 ASN 28 HD22 ASN 28 -8.170 13.803 -15.134 208 H GLY 29 HN GLY 29 -3.074 15.555 -12.056 209 1HA GLY 29 HA2 GLY 29 -3.437 17.988 -11.794 210 2HA GLY 29 HA1 GLY 29 -4.750 17.579 -10.703 211 H ASN 30 HN ASN 30 -3.205 15.427 -9.484 212 HA ASN 30 HA ASN 30 -1.500 17.056 -7.740 213 1HB ASN 30 HB2 ASN 30 -2.188 14.360 -6.829 214 2HB ASN 30 HB1 ASN 30 -2.313 15.898 -5.987 215 1HD2 ASN 30 HD21 ASN 30 -3.889 13.916 -8.460 216 2HD2 ASN 30 HD22 ASN 30 -5.492 14.466 -8.122 217 H THR 31 HN THR 31 0.395 15.908 -6.786 218 HA THR 31 HA THR 31 1.596 14.089 -8.760 219 HB THR 31 HB THR 31 2.765 16.186 -8.842 220 HG1 THR 31 HG1 THR 31 4.164 14.488 -8.965 221 1HG2 THR 31 HG21 THR 31 3.084 17.537 -7.120 222 2HG2 THR 31 HG22 THR 31 3.945 16.278 -6.233 223 3HG2 THR 31 HG23 THR 31 2.189 16.399 -6.112 224 H PHE 32 HN PHE 32 3.054 12.519 -7.963 225 HA PHE 32 HA PHE 32 2.544 11.774 -5.157 226 1HB PHE 32 HB2 PHE 32 1.480 10.198 -6.645 227 2HB PHE 32 HB1 PHE 32 2.960 10.013 -7.580 228 HD1 PHE 32 HD1 PHE 32 2.562 10.041 -3.886 229 HD2 PHE 32 HD2 PHE 32 3.444 7.754 -7.364 230 HE1 PHE 32 HE1 PHE 32 3.222 8.146 -2.470 231 HE2 PHE 32 HE2 PHE 32 4.103 5.853 -5.951 232 HZ PHE 32 HZ PHE 32 3.992 6.047 -3.499 233 H ASN 33 HN ASN 33 4.224 11.042 -3.903 234 HA ASN 33 HA ASN 33 6.915 11.467 -5.014 235 1HB ASN 33 HB2 ASN 33 5.875 12.841 -2.977 236 2HB ASN 33 HB1 ASN 33 6.460 11.450 -2.070 237 1HD2 ASN 33 HD21 ASN 33 7.241 14.454 -3.017 238 2HD2 ASN 33 HD22 ASN 33 8.965 14.338 -3.017 239 H GLY 34 HN GLY 34 5.198 9.528 -2.544 240 1HA GLY 34 HA2 GLY 34 5.872 7.031 -3.343 241 2HA GLY 34 HA1 GLY 34 7.322 7.571 -2.524 242 H ILE 35 HN ILE 35 5.619 5.372 -1.796 243 HA ILE 35 HA ILE 35 4.259 6.213 0.581 244 HB ILE 35 HB ILE 35 2.953 4.709 -0.346 245 1HG1 ILE 35 HG12 ILE 35 3.077 2.527 0.555 246 2HG1 ILE 35 HG11 ILE 35 4.809 2.635 0.752 247 1HG2 ILE 35 HG21 ILE 35 3.540 4.020 -2.349 248 2HG2 ILE 35 HG22 ILE 35 4.211 2.600 -1.552 249 3HG2 ILE 35 HG23 ILE 35 5.240 3.976 -1.911 250 1HD1 ILE 35 HD11 ILE 35 3.345 4.719 2.155 251 2HD1 ILE 35 HD12 ILE 35 4.633 3.651 2.708 252 3HD1 ILE 35 HD13 ILE 35 2.967 3.083 2.697 253 H SER 36 HN SER 36 6.097 6.915 1.647 254 HA SER 36 HA SER 36 8.396 5.386 2.243 255 1HB SER 36 HB2 SER 36 7.135 7.826 3.464 256 2HB SER 36 HB1 SER 36 8.502 7.050 4.262 257 HG SER 36 HG SER 36 8.475 7.938 1.565 258 H GLU 37 HN GLU 37 5.208 5.192 3.537 259 HA GLU 37 HA GLU 37 5.590 4.295 6.093 260 1HB GLU 37 HB2 GLU 37 3.490 4.345 4.413 261 2HB GLU 37 HB1 GLU 37 3.855 2.633 4.347 262 1HG GLU 37 HG2 GLU 37 3.064 2.266 6.417 263 2HG GLU 37 HG1 GLU 37 3.727 3.778 7.044 264 H LEU 38 HN LEU 38 6.312 2.797 3.014 265 HA LEU 38 HA LEU 38 7.970 0.831 4.389 266 1HB LEU 38 HB2 LEU 38 6.203 0.219 2.026 267 2HB LEU 38 HB1 LEU 38 7.370 -0.863 2.731 268 HG LEU 38 HG LEU 38 4.675 -0.120 3.659 269 1HD1 LEU 38 HD11 LEU 38 4.797 -2.546 4.389 270 2HD1 LEU 38 HD12 LEU 38 6.357 -2.605 3.568 271 3HD1 LEU 38 HD13 LEU 38 4.896 -2.245 2.657 272 1HD2 LEU 38 HD21 LEU 38 5.654 -1.299 5.902 273 2HD2 LEU 38 HD22 LEU 38 5.379 0.425 5.715 274 3HD2 LEU 38 HD23 LEU 38 6.987 -0.242 5.453 275 H GLN 39 HN GLN 39 9.808 1.792 3.904 276 HA GLN 39 HA GLN 39 10.787 3.304 2.068 277 1HB GLN 39 HB2 GLN 39 12.278 0.825 2.917 278 2HB GLN 39 HB1 GLN 39 12.979 2.341 2.369 279 1HG GLN 39 HG2 GLN 39 13.089 2.997 4.473 280 2HG GLN 39 HG1 GLN 39 11.328 3.003 4.527 281 1HE2 GLN 39 HE21 GLN 39 10.512 1.889 6.137 282 2HE2 GLN 39 HE22 GLN 39 11.206 0.486 6.868 283 H SER 40 HN SER 40 9.984 3.256 0.266 284 HA SER 40 HA SER 40 9.074 2.099 -1.699 285 1HB SER 40 HB2 SER 40 10.724 2.962 -3.382 286 2HB SER 40 HB1 SER 40 10.198 4.147 -2.186 287 HG SER 40 HG SER 40 12.143 4.141 -1.295 288 H SER 41 HN SER 41 12.287 1.018 -0.747 289 HA SER 41 HA SER 41 12.791 -0.784 -2.775 290 1HB SER 41 HB2 SER 41 14.605 -0.937 -1.442 291 2HB SER 41 HB1 SER 41 13.692 -0.422 -0.026 292 HG SER 41 HG SER 41 14.244 -2.983 -0.963 293 H GLN 42 HN GLN 42 10.433 -0.925 -0.276 294 HA GLN 42 HA GLN 42 9.888 -3.683 -0.249 295 1HB GLN 42 HB2 GLN 42 8.170 -3.082 1.155 296 2HB GLN 42 HB1 GLN 42 9.230 -1.714 1.338 297 1HG GLN 42 HG2 GLN 42 7.529 -0.408 0.833 298 2HG GLN 42 HG1 GLN 42 7.548 -1.074 -0.784 299 1HE2 GLN 42 HE21 GLN 42 6.772 -3.732 0.051 300 2HE2 GLN 42 HE22 GLN 42 5.097 -3.647 0.458 301 H TYR 43 HN TYR 43 8.971 -1.087 -2.294 302 HA TYR 43 HA TYR 43 7.431 -2.898 -4.018 303 1HB TYR 43 HB2 TYR 43 5.844 -1.042 -4.468 304 2HB TYR 43 HB1 TYR 43 5.798 -1.590 -2.796 305 HD1 TYR 43 HD1 TYR 43 5.931 -0.030 -1.087 306 HD2 TYR 43 HD2 TYR 43 7.388 1.005 -4.946 307 HE1 TYR 43 HE1 TYR 43 6.327 2.264 -0.312 308 HE2 TYR 43 HE2 TYR 43 7.786 3.307 -4.183 309 HH TYR 43 HH TYR 43 8.069 4.575 -2.218 310 H THR 44 HN THR 44 6.836 -1.332 -6.036 311 HA THR 44 HA THR 44 9.265 -0.013 -6.935 312 HB THR 44 HB THR 44 9.202 -2.408 -7.686 313 HG1 THR 44 HG1 THR 44 9.183 -0.351 -9.629 314 1HG2 THR 44 HG21 THR 44 7.758 -3.187 -9.316 315 2HG2 THR 44 HG22 THR 44 7.151 -1.570 -9.682 316 3HG2 THR 44 HG23 THR 44 6.704 -2.359 -8.170 317 H LYS 45 HN LYS 45 8.372 1.901 -6.867 318 HA LYS 45 HA LYS 45 5.769 2.573 -7.741 319 1HB LYS 45 HB2 LYS 45 6.435 4.215 -6.336 320 2HB LYS 45 HB1 LYS 45 8.132 4.010 -6.736 321 1HG LYS 45 HG2 LYS 45 7.742 5.281 -8.825 322 2HG LYS 45 HG1 LYS 45 6.081 5.560 -8.301 323 1HD LYS 45 HD2 LYS 45 6.787 7.350 -7.187 324 2HD LYS 45 HD1 LYS 45 7.717 6.281 -6.135 325 1HE LYS 45 HE2 LYS 45 9.078 8.078 -7.165 326 2HE LYS 45 HE1 LYS 45 9.639 6.455 -7.567 327 1HZ LYS 45 HZ1 LYS 45 9.319 8.328 -9.384 328 2HZ LYS 45 HZ2 LYS 45 7.748 7.703 -9.405 329 3HZ LYS 45 HZ3 LYS 45 9.061 6.690 -9.727 330 H GLY 46 HN GLY 46 5.327 4.200 -9.416 331 1HA GLY 46 HA2 GLY 46 7.091 4.337 -11.688 332 2HA GLY 46 HA1 GLY 46 5.667 3.336 -11.945 333 H THR 47 HN THR 47 6.631 6.546 -10.803 334 HA THR 47 HA THR 47 5.162 8.408 -10.563 335 HB THR 47 HB THR 47 5.831 8.053 -13.489 336 HG1 THR 47 HG1 THR 47 7.176 9.355 -11.359 337 1HG2 THR 47 HG21 THR 47 4.261 9.795 -13.466 338 2HG2 THR 47 HG22 THR 47 5.840 10.580 -13.471 339 3HG2 THR 47 HG23 THR 47 4.913 10.474 -11.975 340 H ASN 48 HN ASN 48 3.082 8.209 -10.008 341 HA ASN 48 HA ASN 48 0.827 8.490 -10.405 342 1HB ASN 48 HB2 ASN 48 1.126 7.361 -13.177 343 2HB ASN 48 HB1 ASN 48 -0.148 8.390 -12.548 344 1HD2 ASN 48 HD21 ASN 48 1.034 9.040 -14.883 345 2HD2 ASN 48 HD22 ASN 48 2.024 10.442 -14.685 346 H GLU 49 HN GLU 49 2.707 5.725 -10.845 347 HA GLU 49 HA GLU 49 0.527 4.062 -9.848 348 1HB GLU 49 HB2 GLU 49 1.894 3.737 -12.451 349 2HB GLU 49 HB1 GLU 49 1.682 2.274 -11.503 350 1HG GLU 49 HG2 GLU 49 -0.513 2.194 -11.889 351 2HG GLU 49 HG1 GLU 49 -0.711 3.936 -11.690 352 H VAL 50 HN VAL 50 1.372 1.897 -9.134 353 HA VAL 50 HA VAL 50 4.195 1.705 -8.565 354 HB VAL 50 HB VAL 50 2.358 1.892 -6.178 355 1HG1 VAL 50 HG11 VAL 50 5.168 1.210 -6.609 356 2HG1 VAL 50 HG12 VAL 50 4.098 0.826 -5.262 357 3HG1 VAL 50 HG13 VAL 50 4.901 2.395 -5.331 358 1HG2 VAL 50 HG21 VAL 50 2.443 4.086 -7.211 359 2HG2 VAL 50 HG22 VAL 50 4.203 4.009 -7.281 360 3HG2 VAL 50 HG23 VAL 50 3.385 4.080 -5.722 361 H THR 51 HN THR 51 4.760 -0.344 -7.558 362 HA THR 51 HA THR 51 2.577 -2.293 -7.484 363 HB THR 51 HB THR 51 5.157 -2.681 -8.991 364 HG1 THR 51 HG1 THR 51 4.018 -1.520 -10.358 365 1HG2 THR 51 HG21 THR 51 3.277 -4.582 -8.021 366 2HG2 THR 51 HG22 THR 51 4.739 -4.848 -8.972 367 3HG2 THR 51 HG23 THR 51 3.203 -4.537 -9.783 368 H LEU 52 HN LEU 52 2.642 -3.310 -5.592 369 HA LEU 52 HA LEU 52 5.123 -3.344 -4.076 370 1HB LEU 52 HB2 LEU 52 3.328 -4.885 -2.640 371 2HB LEU 52 HB1 LEU 52 3.736 -3.216 -2.358 372 HG LEU 52 HG LEU 52 1.358 -3.536 -2.309 373 1HD1 LEU 52 HD11 LEU 52 2.698 -1.713 -4.075 374 2HD1 LEU 52 HD12 LEU 52 1.295 -1.452 -3.041 375 3HD1 LEU 52 HD13 LEU 52 1.079 -2.080 -4.673 376 1HD2 LEU 52 HD21 LEU 52 1.870 -5.035 -4.760 377 2HD2 LEU 52 HD22 LEU 52 0.462 -3.972 -4.829 378 3HD2 LEU 52 HD23 LEU 52 0.581 -5.198 -3.569 379 H LEU 53 HN LEU 53 6.255 -5.193 -3.455 380 HA LEU 53 HA LEU 53 5.569 -7.526 -5.083 381 1HB LEU 53 HB2 LEU 53 8.006 -8.158 -4.781 382 2HB LEU 53 HB1 LEU 53 7.665 -6.779 -5.809 383 HG LEU 53 HG LEU 53 8.061 -5.542 -3.423 384 1HD1 LEU 53 HD11 LEU 53 10.379 -7.306 -3.316 385 2HD1 LEU 53 HD12 LEU 53 8.871 -8.097 -2.864 386 3HD1 LEU 53 HD13 LEU 53 9.396 -6.647 -2.010 387 1HD2 LEU 53 HD21 LEU 53 9.259 -5.648 -5.911 388 2HD2 LEU 53 HD22 LEU 53 10.576 -6.001 -4.792 389 3HD2 LEU 53 HD23 LEU 53 9.640 -4.516 -4.612 390 H ALA 54 HN ALA 54 4.808 -9.191 -4.106 391 HA ALA 54 HA ALA 54 4.255 -9.605 -1.507 392 1HB ALA 54 HB1 ALA 54 3.708 -11.764 -2.050 393 2HB ALA 54 HB2 ALA 54 5.112 -11.974 -3.095 394 3HB ALA 54 HB3 ALA 54 3.741 -11.012 -3.643 395 H SER 55 HN SER 55 7.423 -9.626 -2.780 396 HA SER 55 HA SER 55 8.561 -11.500 -0.979 397 1HB SER 55 HB2 SER 55 10.347 -9.371 -1.954 398 2HB SER 55 HB1 SER 55 10.499 -11.121 -2.095 399 HG SER 55 HG SER 55 9.806 -9.453 -3.976 400 H TYR 56 HN TYR 56 8.297 -7.973 -0.934 401 HA TYR 56 HA TYR 56 9.628 -7.812 1.622 402 1HB TYR 56 HB2 TYR 56 9.736 -5.973 -0.063 403 2HB TYR 56 HB1 TYR 56 8.019 -5.682 0.195 404 HD1 TYR 56 HD1 TYR 56 11.257 -4.719 1.150 405 HD2 TYR 56 HD2 TYR 56 7.346 -5.295 2.722 406 HE1 TYR 56 HE1 TYR 56 11.800 -3.225 3.027 407 HE2 TYR 56 HE2 TYR 56 7.877 -3.800 4.602 408 HH TYR 56 HH TYR 56 9.360 -2.210 5.330 409 H LEU 57 HN LEU 57 6.359 -7.245 0.404 410 HA LEU 57 HA LEU 57 5.132 -6.732 2.835 411 1HB LEU 57 HB2 LEU 57 4.241 -6.709 0.347 412 2HB LEU 57 HB1 LEU 57 3.638 -8.295 0.797 413 HG LEU 57 HG LEU 57 2.980 -6.501 2.888 414 1HD1 LEU 57 HD11 LEU 57 1.644 -5.514 0.436 415 2HD1 LEU 57 HD12 LEU 57 3.284 -4.945 0.744 416 3HD1 LEU 57 HD13 LEU 57 2.019 -4.674 1.942 417 1HD2 LEU 57 HD21 LEU 57 0.949 -7.478 2.713 418 2HD2 LEU 57 HD22 LEU 57 1.880 -8.639 1.766 419 3HD2 LEU 57 HD23 LEU 57 0.934 -7.394 0.949 420 H ASN 58 HN ASN 58 5.815 -9.836 1.267 421 HA ASN 58 HA ASN 58 4.377 -11.376 3.160 422 1HB ASN 58 HB2 ASN 58 5.034 -12.329 1.004 423 2HB ASN 58 HB1 ASN 58 6.734 -12.163 1.425 424 1HD2 ASN 58 HD21 ASN 58 7.042 -14.382 1.127 425 2HD2 ASN 58 HD22 ASN 58 6.504 -15.536 2.296 426 H THR 59 HN THR 59 7.447 -9.824 3.181 427 HA THR 59 HA THR 59 8.477 -11.335 5.415 428 HB THR 59 HB THR 59 9.529 -8.855 4.044 429 HG1 THR 59 HG1 THR 59 10.787 -10.216 2.911 430 1HG2 THR 59 HG21 THR 59 10.472 -10.304 6.400 431 2HG2 THR 59 HG22 THR 59 10.845 -8.673 5.836 432 3HG2 THR 59 HG23 THR 59 11.689 -10.061 5.147 433 H LEU 60 HN LEU 60 6.638 -8.464 4.879 434 HA LEU 60 HA LEU 60 7.128 -6.807 6.957 435 1HB LEU 60 HB2 LEU 60 4.536 -7.734 5.783 436 2HB LEU 60 HB1 LEU 60 4.531 -6.631 7.144 437 HG LEU 60 HG LEU 60 5.892 -6.097 4.503 438 1HD1 LEU 60 HD11 LEU 60 4.063 -4.966 3.783 439 2HD1 LEU 60 HD12 LEU 60 3.543 -4.545 5.416 440 3HD1 LEU 60 HD13 LEU 60 3.248 -6.167 4.790 441 1HD2 LEU 60 HD21 LEU 60 6.068 -3.797 5.365 442 2HD2 LEU 60 HD22 LEU 60 6.977 -4.955 6.340 443 3HD2 LEU 60 HD23 LEU 60 5.424 -4.346 6.914 444 HA PRO 61 HA PRO 61 6.814 -8.719 10.894 445 1HB PRO 61 HB2 PRO 61 4.836 -6.610 11.603 446 2HB PRO 61 HB1 PRO 61 6.316 -7.090 12.436 447 1HG PRO 61 HG2 PRO 61 6.230 -4.848 10.999 448 2HG PRO 61 HG1 PRO 61 7.676 -5.872 11.011 449 1HD PRO 61 HD2 PRO 61 5.598 -5.553 8.900 450 2HD PRO 61 HD1 PRO 61 7.339 -5.853 8.735 451 H GLU 62 HN GLU 62 5.141 -9.454 12.551 452 HA GLU 62 HA GLU 62 3.337 -11.211 11.392 453 1HB GLU 62 HB2 GLU 62 3.596 -10.098 14.172 454 2HB GLU 62 HB1 GLU 62 2.371 -11.289 13.767 455 1HG GLU 62 HG2 GLU 62 3.962 -12.710 14.439 456 2HG GLU 62 HG1 GLU 62 4.505 -12.534 12.774 457 H ASN 63 HN ASN 63 0.994 -11.058 12.669 458 HA ASN 63 HA ASN 63 -0.685 -9.822 11.080 459 1HB ASN 63 HB2 ASN 63 -2.139 -9.501 13.294 460 2HB ASN 63 HB1 ASN 63 -1.845 -11.081 12.579 461 1HD2 ASN 63 HD21 ASN 63 -2.031 -12.189 14.489 462 2HD2 ASN 63 HD22 ASN 63 -0.861 -12.081 15.757 463 H THR 64 HN THR 64 0.620 -7.870 10.548 464 HA THR 64 HA THR 64 -0.096 -5.616 12.315 465 HB THR 64 HB THR 64 1.833 -4.459 11.027 466 HG1 THR 64 HG1 THR 64 2.933 -7.014 10.822 467 1HG2 THR 64 HG21 THR 64 1.987 -5.010 13.401 468 2HG2 THR 64 HG22 THR 64 3.522 -5.255 12.569 469 3HG2 THR 64 HG23 THR 64 2.512 -6.642 12.985 470 H THR 65 HN THR 65 -0.976 -3.782 11.400 471 HA THR 65 HA THR 65 -2.241 -4.213 8.841 472 HB THR 65 HB THR 65 -3.718 -3.353 10.373 473 HG1 THR 65 HG1 THR 65 -4.229 -1.302 9.596 474 1HG2 THR 65 HG21 THR 65 -1.482 -1.650 11.314 475 2HG2 THR 65 HG22 THR 65 -2.640 -2.606 12.237 476 3HG2 THR 65 HG23 THR 65 -3.137 -1.072 11.521 477 H LYS 66 HN LYS 66 -0.693 -4.016 7.321 478 HA LYS 66 HA LYS 66 1.189 -1.931 7.166 479 1HB LYS 66 HB2 LYS 66 1.864 -3.653 5.838 480 2HB LYS 66 HB1 LYS 66 0.221 -4.133 5.450 481 1HG LYS 66 HG2 LYS 66 0.725 -3.383 3.413 482 2HG LYS 66 HG1 LYS 66 0.419 -1.785 4.095 483 1HD LYS 66 HD2 LYS 66 2.791 -1.576 4.639 484 2HD LYS 66 HD1 LYS 66 3.072 -3.169 3.937 485 1HE LYS 66 HE2 LYS 66 1.667 -1.221 2.222 486 2HE LYS 66 HE1 LYS 66 3.355 -0.856 2.571 487 1HZ LYS 66 HZ1 LYS 66 3.544 -3.420 1.929 488 2HZ LYS 66 HZ2 LYS 66 3.677 -2.174 0.794 489 3HZ LYS 66 HZ3 LYS 66 2.211 -2.995 0.975 490 H THR 67 HN THR 67 1.168 -0.053 5.886 491 HA THR 67 HA THR 67 -1.389 0.677 4.681 492 HB THR 67 HB THR 67 0.118 2.325 6.701 493 HG1 THR 67 HG1 THR 67 -2.506 1.271 6.716 494 1HG2 THR 67 HG21 THR 67 -1.200 4.149 6.326 495 2HG2 THR 67 HG22 THR 67 -2.475 3.203 5.558 496 3HG2 THR 67 HG23 THR 67 -0.984 3.547 4.680 497 H LEU 68 HN LEU 68 -1.127 1.499 2.731 498 HA LEU 68 HA LEU 68 1.551 2.305 1.890 499 1HB LEU 68 HB2 LEU 68 -0.498 0.847 0.666 500 2HB LEU 68 HB1 LEU 68 -0.463 2.381 -0.178 501 HG LEU 68 HG LEU 68 1.865 2.056 -0.758 502 1HD1 LEU 68 HD11 LEU 68 3.237 0.532 0.159 503 2HD1 LEU 68 HD12 LEU 68 1.997 -0.714 0.185 504 3HD1 LEU 68 HD13 LEU 68 2.039 0.505 1.453 505 1HD2 LEU 68 HD21 LEU 68 0.705 -0.589 -1.414 506 2HD2 LEU 68 HD22 LEU 68 1.481 0.593 -2.459 507 3HD2 LEU 68 HD23 LEU 68 -0.176 0.840 -1.927 508 H THR 69 HN THR 69 1.557 4.355 2.985 509 HA THR 69 HA THR 69 -0.447 6.302 2.244 510 HB THR 69 HB THR 69 2.020 6.463 3.978 511 HG1 THR 69 HG1 THR 69 0.033 5.362 4.700 512 1HG2 THR 69 HG21 THR 69 0.103 8.617 3.190 513 2HG2 THR 69 HG22 THR 69 1.864 8.666 3.290 514 3HG2 THR 69 HG23 THR 69 0.898 8.633 4.766 515 H PHE 70 HN PHE 70 -0.190 6.633 0.047 516 HA PHE 70 HA PHE 70 2.308 7.160 -1.182 517 1HB PHE 70 HB2 PHE 70 -0.499 7.789 -2.102 518 2HB PHE 70 HB1 PHE 70 0.934 7.817 -3.109 519 HD1 PHE 70 HD1 PHE 70 -1.843 5.984 -2.522 520 HD2 PHE 70 HD2 PHE 70 2.372 5.487 -2.675 521 HE1 PHE 70 HE1 PHE 70 -2.146 3.592 -3.016 522 HE2 PHE 70 HE2 PHE 70 2.080 3.094 -3.174 523 HZ PHE 70 HZ PHE 70 -0.179 2.145 -3.344 524 H ASP 71 HN ASP 71 3.500 8.918 -0.735 525 HA ASP 71 HA ASP 71 2.385 11.283 0.386 526 1HB ASP 71 HB2 ASP 71 4.674 10.658 0.850 527 2HB ASP 71 HB1 ASP 71 5.087 10.798 -0.847 528 H PHE 72 HN PHE 72 0.893 12.178 -0.851 529 HA PHE 72 HA PHE 72 1.502 12.896 -3.618 530 1HB PHE 72 HB2 PHE 72 -0.920 12.355 -2.103 531 2HB PHE 72 HB1 PHE 72 -1.043 13.849 -3.023 532 HD1 PHE 72 HD1 PHE 72 -0.605 13.776 -5.504 533 HD2 PHE 72 HD2 PHE 72 -1.118 10.274 -3.150 534 HE1 PHE 72 HE1 PHE 72 -1.101 12.486 -7.538 535 HE2 PHE 72 HE2 PHE 72 -1.626 8.978 -5.180 536 HZ PHE 72 HZ PHE 72 -1.610 10.082 -7.377 537 H GLY 73 HN GLY 73 2.701 14.178 -1.194 538 1HA GLY 73 HA2 GLY 73 3.245 16.281 -0.450 539 2HA GLY 73 HA1 GLY 73 2.860 16.800 -2.083 540 H VAL 74 HN VAL 74 0.281 15.312 -0.411 541 HA VAL 74 HA VAL 74 -0.879 17.962 0.136 542 HB VAL 74 HB VAL 74 -3.076 17.022 -0.279 543 1HG1 VAL 74 HG11 VAL 74 -0.960 17.057 -2.297 544 2HG1 VAL 74 HG12 VAL 74 -2.554 17.808 -2.310 545 3HG1 VAL 74 HG13 VAL 74 -2.375 16.111 -2.756 546 1HG2 VAL 74 HG21 VAL 74 -1.738 14.455 -1.107 547 2HG2 VAL 74 HG22 VAL 74 -3.464 14.780 -0.942 548 3HG2 VAL 74 HG23 VAL 74 -2.440 14.703 0.488 549 H GLY 75 HN GLY 75 -0.373 14.701 1.308 550 1HA GLY 75 HA2 GLY 75 -0.456 13.859 3.446 551 2HA GLY 75 HA1 GLY 75 -0.590 15.507 4.021 552 H THR 76 HN THR 76 -2.757 16.497 3.738 553 HA THR 76 HA THR 76 -4.680 15.215 5.203 554 HB THR 76 HB THR 76 -5.139 17.284 3.048 555 HG1 THR 76 HG1 THR 76 -3.728 18.077 4.562 556 1HG2 THR 76 HG21 THR 76 -7.120 15.953 4.274 557 2HG2 THR 76 HG22 THR 76 -7.231 17.639 3.768 558 3HG2 THR 76 HG23 THR 76 -6.840 17.245 5.441 559 H LYS 77 HN LYS 77 -4.939 15.686 1.674 560 HA LYS 77 HA LYS 77 -6.861 13.545 1.523 561 1HB LYS 77 HB2 LYS 77 -5.774 15.000 -0.854 562 2HB LYS 77 HB1 LYS 77 -7.368 14.292 -0.626 563 1HG LYS 77 HG2 LYS 77 -7.122 16.255 1.345 564 2HG LYS 77 HG1 LYS 77 -6.478 16.970 -0.130 565 1HD LYS 77 HD2 LYS 77 -8.581 17.365 -0.744 566 2HD LYS 77 HD1 LYS 77 -8.776 15.622 -0.933 567 1HE LYS 77 HE2 LYS 77 -10.480 16.795 0.524 568 2HE LYS 77 HE1 LYS 77 -9.683 15.386 1.223 569 1HZ LYS 77 HZ1 LYS 77 -8.300 17.841 1.757 570 2HZ LYS 77 HZ2 LYS 77 -8.778 16.621 2.821 571 3HZ LYS 77 HZ3 LYS 77 -9.871 17.832 2.379 572 H ASN 78 HN ASN 78 -3.752 13.379 1.897 573 HA ASN 78 HA ASN 78 -2.590 12.054 -0.223 574 1HB ASN 78 HB2 ASN 78 -1.293 12.727 1.702 575 2HB ASN 78 HB1 ASN 78 -2.189 11.620 2.738 576 1HD2 ASN 78 HD21 ASN 78 0.695 11.880 1.997 577 2HD2 ASN 78 HD22 ASN 78 1.156 10.296 1.485 578 HA PRO 79 HA PRO 79 -5.305 8.464 -0.379 579 1HB PRO 79 HB2 PRO 79 -3.980 7.260 -2.458 580 2HB PRO 79 HB1 PRO 79 -5.215 8.506 -2.664 581 1HG PRO 79 HG2 PRO 79 -2.237 8.761 -2.710 582 2HG PRO 79 HG1 PRO 79 -3.445 9.547 -3.741 583 1HD PRO 79 HD2 PRO 79 -2.249 10.834 -1.696 584 2HD PRO 79 HD1 PRO 79 -3.932 11.157 -2.154 585 H LYS 80 HN LYS 80 -4.445 7.785 1.689 586 HA LYS 80 HA LYS 80 -2.197 5.900 1.512 587 1HB LYS 80 HB2 LYS 80 -2.463 5.999 4.098 588 2HB LYS 80 HB1 LYS 80 -1.711 7.350 3.263 589 1HG LYS 80 HG2 LYS 80 -3.531 8.732 3.577 590 2HG LYS 80 HG1 LYS 80 -4.647 7.384 3.803 591 1HD LYS 80 HD2 LYS 80 -3.702 6.906 5.971 592 2HD LYS 80 HD1 LYS 80 -2.457 8.135 5.737 593 1HE LYS 80 HE2 LYS 80 -4.040 9.184 7.094 594 2HE LYS 80 HE1 LYS 80 -4.401 9.781 5.474 595 1HZ LYS 80 HZ1 LYS 80 -6.185 8.175 5.306 596 2HZ LYS 80 HZ2 LYS 80 -6.405 9.140 6.678 597 3HZ LYS 80 HZ3 LYS 80 -5.823 7.559 6.840 598 H LEU 81 HN LEU 81 -2.650 3.794 1.444 599 HA LEU 81 HA LEU 81 -5.336 2.945 2.185 600 1HB LEU 81 HB2 LEU 81 -4.897 0.922 0.907 601 2HB LEU 81 HB1 LEU 81 -4.625 2.357 -0.059 602 HG LEU 81 HG LEU 81 -2.123 1.858 0.936 603 1HD1 LEU 81 HD11 LEU 81 -3.573 -0.736 0.550 604 2HD1 LEU 81 HD12 LEU 81 -2.554 -0.228 1.896 605 3HD1 LEU 81 HD13 LEU 81 -1.829 -0.597 0.331 606 1HD2 LEU 81 HD21 LEU 81 -3.549 1.469 -1.603 607 2HD2 LEU 81 HD22 LEU 81 -2.029 0.590 -1.439 608 3HD2 LEU 81 HD23 LEU 81 -2.058 2.342 -1.258 609 H THR 82 HN THR 82 -5.585 0.851 3.302 610 HA THR 82 HA THR 82 -3.324 0.316 5.105 611 HB THR 82 HB THR 82 -6.232 0.314 5.923 612 HG1 THR 82 HG1 THR 82 -6.014 2.357 6.256 613 1HG2 THR 82 HG21 THR 82 -3.694 -0.225 7.367 614 2HG2 THR 82 HG22 THR 82 -5.266 -1.016 7.501 615 3HG2 THR 82 HG23 THR 82 -5.015 0.569 8.221 616 H ILE 83 HN ILE 83 -2.635 -1.546 4.238 617 HA ILE 83 HA ILE 83 -4.566 -3.716 3.824 618 HB ILE 83 HB ILE 83 -3.309 -3.633 1.895 619 1HG1 ILE 83 HG12 ILE 83 -1.666 -5.457 3.661 620 2HG1 ILE 83 HG11 ILE 83 -3.151 -5.901 2.825 621 1HG2 ILE 83 HG21 ILE 83 -0.669 -3.447 2.205 622 2HG2 ILE 83 HG22 ILE 83 -1.197 -2.575 3.645 623 3HG2 ILE 83 HG23 ILE 83 -1.727 -2.043 2.051 624 1HD1 ILE 83 HD11 ILE 83 -0.649 -6.319 1.876 625 2HD1 ILE 83 HD12 ILE 83 -1.072 -4.801 1.082 626 3HD1 ILE 83 HD13 ILE 83 -2.101 -6.218 0.881 627 H THR 84 HN THR 84 -4.762 -5.227 5.330 628 HA THR 84 HA THR 84 -2.930 -5.288 7.563 629 HB THR 84 HB THR 84 -5.348 -7.040 7.171 630 HG1 THR 84 HG1 THR 84 -6.312 -5.146 7.057 631 1HG2 THR 84 HG21 THR 84 -4.490 -7.820 9.108 632 2HG2 THR 84 HG22 THR 84 -5.368 -6.435 9.754 633 3HG2 THR 84 HG23 THR 84 -3.631 -6.320 9.463 634 H VAL 85 HN VAL 85 -1.267 -6.594 7.717 635 HA VAL 85 HA VAL 85 -1.182 -8.997 6.025 636 HB VAL 85 HB VAL 85 1.227 -7.991 7.451 637 1HG1 VAL 85 HG11 VAL 85 0.749 -10.050 5.726 638 2HG1 VAL 85 HG12 VAL 85 2.329 -9.337 6.046 639 3HG1 VAL 85 HG13 VAL 85 1.389 -8.809 4.652 640 1HG2 VAL 85 HG21 VAL 85 1.046 -5.964 6.523 641 2HG2 VAL 85 HG22 VAL 85 -0.260 -6.474 5.460 642 3HG2 VAL 85 HG23 VAL 85 1.411 -6.766 4.996 643 H LEU 86 HN LEU 86 -1.593 -10.845 7.000 644 HA LEU 86 HA LEU 86 -1.469 -11.071 9.886 645 1HB LEU 86 HB2 LEU 86 -2.027 -13.419 8.139 646 2HB LEU 86 HB1 LEU 86 -2.747 -12.975 9.673 647 HG LEU 86 HG LEU 86 -3.331 -11.666 7.017 648 1HD1 LEU 86 HD11 LEU 86 -5.668 -12.673 7.796 649 2HD1 LEU 86 HD12 LEU 86 -4.600 -13.851 8.557 650 3HD1 LEU 86 HD13 LEU 86 -4.521 -13.586 6.816 651 1HD2 LEU 86 HD21 LEU 86 -3.606 -9.988 8.628 652 2HD2 LEU 86 HD22 LEU 86 -4.270 -11.115 9.814 653 3HD2 LEU 86 HD23 LEU 86 -5.222 -10.657 8.403 654 HA PRO 87 HA PRO 87 2.397 -13.049 10.514 655 1HB PRO 87 HB2 PRO 87 1.636 -15.469 11.679 656 2HB PRO 87 HB1 PRO 87 1.926 -13.953 12.534 657 1HG PRO 87 HG2 PRO 87 -0.642 -15.170 11.649 658 2HG PRO 87 HG1 PRO 87 -0.282 -14.246 13.119 659 1HD PRO 87 HD2 PRO 87 -1.605 -13.144 11.072 660 2HD PRO 87 HD1 PRO 87 -0.434 -12.207 12.022 661 H LYS 88 HN LYS 88 3.507 -13.772 8.842 662 HA LYS 88 HA LYS 88 2.602 -15.306 6.741 663 1HB LYS 88 HB2 LYS 88 5.367 -15.934 7.146 664 2HB LYS 88 HB1 LYS 88 4.639 -14.900 5.930 665 1HG LYS 88 HG2 LYS 88 6.237 -13.589 7.042 666 2HG LYS 88 HG1 LYS 88 4.671 -13.057 7.655 667 1HD LYS 88 HD2 LYS 88 5.468 -13.401 9.709 668 2HD LYS 88 HD1 LYS 88 5.443 -15.129 9.353 669 1HE LYS 88 HE2 LYS 88 7.763 -14.341 8.155 670 2HE LYS 88 HE1 LYS 88 7.704 -13.277 9.558 671 1HZ LYS 88 HZ1 LYS 88 8.846 -15.484 9.870 672 2HZ LYS 88 HZ2 LYS 88 7.318 -16.203 9.777 673 3HZ LYS 88 HZ3 LYS 88 7.661 -15.099 11.014 674 H ASP 89 HN ASP 89 2.594 -17.465 6.216 675 HA ASP 89 HA ASP 89 2.776 -19.294 8.489 676 1HB ASP 89 HB2 ASP 89 0.997 -19.021 6.288 677 2HB ASP 89 HB1 ASP 89 1.786 -20.586 6.154 678 H ILE 90 HN ILE 90 5.104 -18.290 7.158 679 HA ILE 90 HA ILE 90 6.153 -20.695 5.830 680 HB ILE 90 HB ILE 90 6.406 -18.649 4.533 681 1HG1 ILE 90 HG12 ILE 90 8.974 -19.751 5.682 682 2HG1 ILE 90 HG11 ILE 90 8.133 -20.300 4.236 683 1HG2 ILE 90 HG21 ILE 90 8.416 -17.317 6.083 684 2HG2 ILE 90 HG22 ILE 90 6.935 -17.480 7.027 685 3HG2 ILE 90 HG23 ILE 90 6.894 -16.689 5.452 686 1HD1 ILE 90 HD11 ILE 90 9.657 -17.750 4.642 687 2HD1 ILE 90 HD12 ILE 90 8.563 -18.002 3.281 688 3HD1 ILE 90 HD13 ILE 90 9.969 -19.045 3.486 689 HA PRO 91 HA PRO 91 8.093 -21.103 9.949 690 1HB PRO 91 HB2 PRO 91 8.490 -23.782 9.747 691 2HB PRO 91 HB1 PRO 91 6.947 -23.076 10.244 692 1HG PRO 91 HG2 PRO 91 7.779 -24.111 7.561 693 2HG PRO 91 HG1 PRO 91 6.247 -24.341 8.425 694 1HD PRO 91 HD2 PRO 91 6.540 -22.527 6.433 695 2HD PRO 91 HD1 PRO 91 5.442 -22.272 7.806 696 H GLY 92 HN GLY 92 10.234 -21.175 10.486 697 1HA GLY 92 HA2 GLY 92 12.498 -21.786 10.212 698 2HA GLY 92 HA1 GLY 92 12.153 -22.231 8.546 699 H LEU 93 HN LEU 93 10.966 -19.209 9.725 700 HA LEU 93 HA LEU 93 13.232 -17.627 9.039 701 1HB LEU 93 HB2 LEU 93 12.044 -18.503 6.822 702 2HB LEU 93 HB1 LEU 93 10.991 -17.139 7.147 703 HG LEU 93 HG LEU 93 13.444 -15.975 7.393 704 1HD1 LEU 93 HD11 LEU 93 14.516 -16.804 5.155 705 2HD1 LEU 93 HD12 LEU 93 13.674 -18.303 5.545 706 3HD1 LEU 93 HD13 LEU 93 14.854 -17.637 6.672 707 1HD2 LEU 93 HD21 LEU 93 11.921 -16.282 4.809 708 2HD2 LEU 93 HD22 LEU 93 12.978 -14.948 5.274 709 3HD2 LEU 93 HD23 LEU 93 11.451 -15.201 6.120 710 H GLU 94 HN GLU 94 13.028 -16.182 10.617 711 HA GLU 94 HA GLU 94 10.456 -15.321 11.577 712 1HB GLU 94 HB2 GLU 94 12.601 -15.649 12.955 713 2HB GLU 94 HB1 GLU 94 13.102 -14.090 12.314 714 1HG GLU 94 HG2 GLU 94 10.458 -13.827 13.309 715 2HG GLU 94 HG1 GLU 94 11.436 -14.638 14.532 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -7.290 21.304 -2.843 2 2H MET 1 HT2 MET 1 -7.038 22.737 -1.932 3 3H MET 1 HT3 MET 1 -5.922 21.439 -1.818 4 HA MET 1 HA MET 1 -6.397 23.282 -4.048 5 1HB MET 1 HB2 MET 1 -4.446 22.907 -1.948 6 2HB MET 1 HB1 MET 1 -3.678 22.794 -3.526 7 1HG MET 1 HG2 MET 1 -4.674 24.966 -4.132 8 2HG MET 1 HG1 MET 1 -5.342 25.081 -2.504 9 1HE MET 1 HE1 MET 1 -2.151 23.590 -1.249 10 2HE MET 1 HE2 MET 1 -3.663 24.210 -0.582 11 3HE MET 1 HE3 MET 1 -2.155 25.084 -0.313 12 H GLN 2 HN GLN 2 -5.559 20.034 -3.180 13 HA GLN 2 HA GLN 2 -5.005 19.458 -6.012 14 1HB GLN 2 HB2 GLN 2 -3.755 17.684 -3.991 15 2HB GLN 2 HB1 GLN 2 -3.158 18.197 -5.559 16 1HG GLN 2 HG2 GLN 2 -1.732 19.096 -3.876 17 2HG GLN 2 HG1 GLN 2 -2.640 20.415 -4.602 18 1HE2 GLN 2 HE21 GLN 2 -4.068 18.206 -2.302 19 2HE2 GLN 2 HE22 GLN 2 -4.208 19.338 -1.009 20 H ASP 3 HN ASP 3 -5.831 17.559 -6.833 21 HA ASP 3 HA ASP 3 -7.691 16.116 -5.070 22 1HB ASP 3 HB2 ASP 3 -8.203 17.504 -7.492 23 2HB ASP 3 HB1 ASP 3 -8.452 15.788 -7.784 24 HA PRO 4 HA PRO 4 -4.429 13.220 -6.864 25 1HB PRO 4 HB2 PRO 4 -3.771 12.101 -4.458 26 2HB PRO 4 HB1 PRO 4 -2.941 13.501 -5.141 27 1HG PRO 4 HG2 PRO 4 -5.095 13.403 -3.067 28 2HG PRO 4 HG1 PRO 4 -3.629 14.402 -3.114 29 1HD PRO 4 HD2 PRO 4 -6.050 15.381 -3.784 30 2HD PRO 4 HD1 PRO 4 -4.561 15.922 -4.586 31 H THR 5 HN THR 5 -5.201 11.346 -7.634 32 HA THR 5 HA THR 5 -7.163 9.902 -5.983 33 HB THR 5 HB THR 5 -7.417 9.534 -8.887 34 HG1 THR 5 HG1 THR 5 -7.764 12.056 -7.688 35 1HG2 THR 5 HG21 THR 5 -9.017 8.722 -7.100 36 2HG2 THR 5 HG22 THR 5 -9.723 9.560 -8.482 37 3HG2 THR 5 HG23 THR 5 -9.530 10.402 -6.945 38 H ILE 6 HN ILE 6 -6.940 7.698 -5.854 39 HA ILE 6 HA ILE 6 -5.203 6.290 -7.652 40 HB ILE 6 HB ILE 6 -3.616 5.555 -6.056 41 1HG1 ILE 6 HG12 ILE 6 -4.458 7.336 -3.865 42 2HG1 ILE 6 HG11 ILE 6 -5.488 5.937 -4.140 43 1HG2 ILE 6 HG21 ILE 6 -3.269 7.773 -7.149 44 2HG2 ILE 6 HG22 ILE 6 -2.374 7.537 -5.651 45 3HG2 ILE 6 HG23 ILE 6 -3.837 8.520 -5.658 46 1HD1 ILE 6 HD11 ILE 6 -2.841 5.004 -4.198 47 2HD1 ILE 6 HD12 ILE 6 -4.069 4.717 -2.965 48 3HD1 ILE 6 HD13 ILE 6 -2.971 6.087 -2.816 49 H ASN 7 HN ASN 7 -4.734 4.041 -6.318 50 HA ASN 7 HA ASN 7 -7.057 2.558 -6.474 51 1HB ASN 7 HB2 ASN 7 -5.772 0.765 -5.529 52 2HB ASN 7 HB1 ASN 7 -4.674 1.743 -6.485 53 1HD2 ASN 7 HD21 ASN 7 -3.433 3.392 -5.308 54 2HD2 ASN 7 HD22 ASN 7 -2.884 3.013 -3.719 55 HA PRO 8 HA PRO 8 -9.239 2.637 -2.715 56 1HB PRO 8 HB2 PRO 8 -8.349 0.035 -1.641 57 2HB PRO 8 HB1 PRO 8 -9.965 0.557 -2.132 58 1HG PRO 8 HG2 PRO 8 -8.563 -1.173 -3.611 59 2HG PRO 8 HG1 PRO 8 -9.597 0.053 -4.362 60 1HD PRO 8 HD2 PRO 8 -6.621 0.059 -3.979 61 2HD PRO 8 HD1 PRO 8 -7.563 0.522 -5.410 62 H THR 9 HN THR 9 -8.934 1.609 -0.142 63 HA THR 9 HA THR 9 -6.357 2.573 0.815 64 HB THR 9 HB THR 9 -9.026 3.752 1.568 65 HG1 THR 9 HG1 THR 9 -6.620 4.831 0.539 66 1HG2 THR 9 HG21 THR 9 -7.318 5.236 2.993 67 2HG2 THR 9 HG22 THR 9 -6.547 3.658 3.150 68 3HG2 THR 9 HG23 THR 9 -8.222 3.877 3.660 69 H SER 10 HN SER 10 -8.345 0.089 0.812 70 HA SER 10 HA SER 10 -7.589 -0.701 3.516 71 1HB SER 10 HB2 SER 10 -9.715 -1.239 4.255 72 2HB SER 10 HB1 SER 10 -10.044 0.207 3.311 73 HG SER 10 HG SER 10 -10.546 -1.226 1.543 74 H ILE 11 HN ILE 11 -6.739 -2.663 3.563 75 HA ILE 11 HA ILE 11 -7.687 -4.754 1.800 76 HB ILE 11 HB ILE 11 -6.154 -4.313 0.209 77 1HG1 ILE 11 HG12 ILE 11 -4.176 -5.369 2.240 78 2HG1 ILE 11 HG11 ILE 11 -5.294 -6.377 1.326 79 1HG2 ILE 11 HG21 ILE 11 -3.986 -3.048 0.733 80 2HG2 ILE 11 HG22 ILE 11 -4.719 -2.729 2.306 81 3HG2 ILE 11 HG23 ILE 11 -5.512 -2.167 0.833 82 1HD1 ILE 11 HD11 ILE 11 -2.741 -5.273 0.552 83 2HD1 ILE 11 HD12 ILE 11 -4.009 -4.880 -0.604 84 3HD1 ILE 11 HD13 ILE 11 -3.689 -6.563 -0.184 85 H SER 12 HN SER 12 -6.908 -6.865 2.409 86 HA SER 12 HA SER 12 -5.243 -7.127 4.743 87 1HB SER 12 HB2 SER 12 -7.610 -8.576 5.413 88 2HB SER 12 HB1 SER 12 -6.817 -7.283 6.309 89 HG SER 12 HG SER 12 -8.675 -6.912 4.195 90 H ALA 13 HN ALA 13 -4.272 -9.054 4.839 91 HA ALA 13 HA ALA 13 -5.311 -11.467 3.822 92 1HB ALA 13 HB1 ALA 13 -4.269 -9.822 1.839 93 2HB ALA 13 HB2 ALA 13 -4.600 -11.550 1.713 94 3HB ALA 13 HB3 ALA 13 -2.990 -10.990 2.167 95 H LYS 14 HN LYS 14 -3.631 -13.200 3.870 96 HA LYS 14 HA LYS 14 -2.085 -12.950 6.251 97 1HB LYS 14 HB2 LYS 14 -2.917 -15.113 5.894 98 2HB LYS 14 HB1 LYS 14 -2.453 -15.115 4.200 99 1HG LYS 14 HG2 LYS 14 -0.072 -15.196 4.920 100 2HG LYS 14 HG1 LYS 14 -0.634 -15.375 6.582 101 1HD LYS 14 HD2 LYS 14 -1.634 -17.229 4.459 102 2HD LYS 14 HD1 LYS 14 -0.042 -17.487 5.172 103 1HE LYS 14 HE2 LYS 14 -2.026 -16.966 7.205 104 2HE LYS 14 HE1 LYS 14 -2.502 -18.325 6.185 105 1HZ LYS 14 HZ1 LYS 14 -0.839 -19.599 6.961 106 2HZ LYS 14 HZ2 LYS 14 -0.874 -18.544 8.281 107 3HZ LYS 14 HZ3 LYS 14 0.261 -18.320 7.054 108 H ALA 15 HN ALA 15 0.040 -12.398 6.464 109 HA ALA 15 HA ALA 15 1.349 -11.131 4.380 110 1HB ALA 15 HB1 ALA 15 2.907 -12.417 6.603 111 2HB ALA 15 HB2 ALA 15 1.874 -11.022 6.905 112 3HB ALA 15 HB3 ALA 15 3.220 -10.890 5.772 113 H GLY 16 HN GLY 16 1.641 -12.031 2.569 114 1HA GLY 16 HA2 GLY 16 3.545 -13.402 1.527 115 2HA GLY 16 HA1 GLY 16 2.779 -14.728 2.401 116 H SER 17 HN SER 17 0.099 -13.910 2.100 117 HA SER 17 HA SER 17 -0.458 -14.949 -0.482 118 1HB SER 17 HB2 SER 17 -2.760 -13.736 0.538 119 2HB SER 17 HB1 SER 17 -2.320 -15.431 0.670 120 HG SER 17 HG SER 17 -1.375 -15.000 2.643 121 H PHE 18 HN PHE 18 0.885 -12.177 0.159 122 HA PHE 18 HA PHE 18 -0.834 -10.454 -1.407 123 1HB PHE 18 HB2 PHE 18 1.565 -10.029 0.324 124 2HB PHE 18 HB1 PHE 18 0.913 -8.769 -0.689 125 HD1 PHE 18 HD1 PHE 18 0.693 -10.419 2.431 126 HD2 PHE 18 HD2 PHE 18 -1.538 -8.119 -0.358 127 HE1 PHE 18 HE1 PHE 18 -0.929 -9.875 4.190 128 HE2 PHE 18 HE2 PHE 18 -3.168 -7.567 1.396 129 HZ PHE 18 HZ PHE 18 -2.859 -8.449 3.671 130 H ALA 19 HN ALA 19 -0.348 -11.714 -3.346 131 HA ALA 19 HA ALA 19 2.286 -11.789 -4.414 132 1HB ALA 19 HB1 ALA 19 0.502 -11.869 -6.571 133 2HB ALA 19 HB2 ALA 19 -0.336 -12.645 -5.231 134 3HB ALA 19 HB3 ALA 19 1.237 -13.241 -5.741 135 H ASP 20 HN ASP 20 2.992 -10.586 -6.364 136 HA ASP 20 HA ASP 20 3.248 -7.952 -6.118 137 1HB ASP 20 HB2 ASP 20 4.234 -9.301 -7.965 138 2HB ASP 20 HB1 ASP 20 2.686 -9.233 -8.796 139 H THR 21 HN THR 21 1.783 -6.452 -5.574 140 HA THR 21 HA THR 21 -0.829 -6.548 -6.949 141 HB THR 21 HB THR 21 -0.332 -5.006 -4.427 142 HG1 THR 21 HG1 THR 21 -1.028 -6.919 -3.319 143 1HG2 THR 21 HG21 THR 21 -2.476 -4.534 -4.846 144 2HG2 THR 21 HG22 THR 21 -2.770 -6.149 -4.199 145 3HG2 THR 21 HG23 THR 21 -2.671 -5.902 -5.943 146 H LYS 22 HN LYS 22 -0.688 -5.227 -8.686 147 HA LYS 22 HA LYS 22 0.810 -2.835 -8.714 148 1HB LYS 22 HB2 LYS 22 0.552 -3.117 -10.912 149 2HB LYS 22 HB1 LYS 22 -0.532 -4.458 -10.606 150 1HG LYS 22 HG2 LYS 22 -1.410 -1.582 -10.738 151 2HG LYS 22 HG1 LYS 22 -1.449 -2.700 -12.104 152 1HD LYS 22 HD2 LYS 22 -2.705 -4.062 -10.022 153 2HD LYS 22 HD1 LYS 22 -3.303 -2.406 -9.908 154 1HE LYS 22 HE2 LYS 22 -3.713 -2.572 -12.425 155 2HE LYS 22 HE1 LYS 22 -3.479 -4.310 -12.226 156 1HZ LYS 22 HZ1 LYS 22 -5.376 -2.941 -10.459 157 2HZ LYS 22 HZ2 LYS 22 -5.407 -4.527 -11.050 158 3HZ LYS 22 HZ3 LYS 22 -5.845 -3.240 -12.060 159 H ILE 23 HN ILE 23 -0.026 -0.766 -9.121 160 HA ILE 23 HA ILE 23 -2.666 -0.145 -8.075 161 HB ILE 23 HB ILE 23 -0.113 0.822 -6.895 162 1HG1 ILE 23 HG12 ILE 23 -1.242 -1.358 -6.138 163 2HG1 ILE 23 HG11 ILE 23 -0.759 -0.204 -4.905 164 1HG2 ILE 23 HG21 ILE 23 -1.476 2.305 -5.468 165 2HG2 ILE 23 HG22 ILE 23 -2.881 1.894 -6.448 166 3HG2 ILE 23 HG23 ILE 23 -1.522 2.749 -7.174 167 1HD1 ILE 23 HD11 ILE 23 -3.473 0.201 -5.840 168 2HD1 ILE 23 HD12 ILE 23 -2.835 0.074 -4.199 169 3HD1 ILE 23 HD13 ILE 23 -3.205 -1.381 -5.118 170 H THR 24 HN THR 24 -3.292 2.109 -8.485 171 HA THR 24 HA THR 24 -1.730 3.310 -10.677 172 HB THR 24 HB THR 24 -4.739 3.361 -10.393 173 HG1 THR 24 HG1 THR 24 -3.132 1.842 -12.169 174 1HG2 THR 24 HG21 THR 24 -2.908 4.769 -12.130 175 2HG2 THR 24 HG22 THR 24 -4.640 4.991 -11.887 176 3HG2 THR 24 HG23 THR 24 -4.058 3.784 -13.034 177 H LEU 25 HN LEU 25 -0.804 5.104 -9.961 178 HA LEU 25 HA LEU 25 -2.014 6.720 -7.869 179 1HB LEU 25 HB2 LEU 25 0.610 6.351 -9.131 180 2HB LEU 25 HB1 LEU 25 0.248 7.985 -8.646 181 HG LEU 25 HG LEU 25 -0.068 5.722 -6.713 182 1HD1 LEU 25 HD11 LEU 25 2.176 5.546 -7.668 183 2HD1 LEU 25 HD12 LEU 25 2.218 6.064 -5.982 184 3HD1 LEU 25 HD13 LEU 25 2.466 7.239 -7.275 185 1HD2 LEU 25 HD21 LEU 25 -0.212 7.334 -5.129 186 2HD2 LEU 25 HD22 LEU 25 -0.756 8.299 -6.505 187 3HD2 LEU 25 HD23 LEU 25 0.914 8.403 -5.961 188 H THR 26 HN THR 26 -3.812 7.711 -8.997 189 HA THR 26 HA THR 26 -3.462 9.059 -11.476 190 HB THR 26 HB THR 26 -5.626 9.818 -9.554 191 HG1 THR 26 HG1 THR 26 -5.482 7.378 -10.988 192 1HG2 THR 26 HG21 THR 26 -6.998 10.011 -11.451 193 2HG2 THR 26 HG22 THR 26 -5.840 9.158 -12.471 194 3HG2 THR 26 HG23 THR 26 -5.469 10.776 -11.878 195 HA PRO 27 HA PRO 27 -1.561 12.659 -9.513 196 1HB PRO 27 HB2 PRO 27 0.071 13.254 -11.460 197 2HB PRO 27 HB1 PRO 27 0.260 11.699 -10.638 198 1HG PRO 27 HG2 PRO 27 -1.084 12.280 -13.253 199 2HG PRO 27 HG1 PRO 27 0.084 11.013 -12.872 200 1HD PRO 27 HD2 PRO 27 -2.659 10.674 -12.867 201 2HD PRO 27 HD1 PRO 27 -1.509 9.639 -12.003 202 H ASN 28 HN ASN 28 -3.819 12.429 -11.821 203 HA ASN 28 HA ASN 28 -4.018 14.385 -13.501 204 1HB ASN 28 HB2 ASN 28 -5.857 12.706 -12.219 205 2HB ASN 28 HB1 ASN 28 -6.522 14.330 -12.075 206 1HD2 ASN 28 HD21 ASN 28 -7.199 11.885 -13.718 207 2HD2 ASN 28 HD22 ASN 28 -7.353 12.491 -15.330 208 H GLY 29 HN GLY 29 -2.579 15.801 -12.313 209 1HA GLY 29 HA2 GLY 29 -2.775 18.232 -12.012 210 2HA GLY 29 HA1 GLY 29 -4.105 17.907 -10.920 211 H ASN 30 HN ASN 30 -2.628 15.637 -9.738 212 HA ASN 30 HA ASN 30 -0.794 17.183 -8.039 213 1HB ASN 30 HB2 ASN 30 -1.754 14.644 -6.958 214 2HB ASN 30 HB1 ASN 30 -1.730 16.243 -6.228 215 1HD2 ASN 30 HD21 ASN 30 -3.474 14.309 -8.621 216 2HD2 ASN 30 HD22 ASN 30 -5.023 15.010 -8.312 217 H THR 31 HN THR 31 0.894 15.821 -6.963 218 HA THR 31 HA THR 31 1.890 13.727 -8.772 219 HB THR 31 HB THR 31 3.239 15.663 -9.188 220 HG1 THR 31 HG1 THR 31 5.243 14.865 -8.565 221 1HG2 THR 31 HG21 THR 31 2.916 16.165 -6.368 222 2HG2 THR 31 HG22 THR 31 3.432 17.252 -7.659 223 3HG2 THR 31 HG23 THR 31 4.613 16.222 -6.848 224 H PHE 32 HN PHE 32 3.321 12.181 -7.769 225 HA PHE 32 HA PHE 32 2.673 11.783 -4.932 226 1HB PHE 32 HB2 PHE 32 1.826 10.047 -6.443 227 2HB PHE 32 HB1 PHE 32 3.458 9.759 -7.035 228 HD1 PHE 32 HD1 PHE 32 2.148 10.220 -3.582 229 HD2 PHE 32 HD2 PHE 32 4.067 7.654 -6.374 230 HE1 PHE 32 HE1 PHE 32 2.494 8.549 -1.820 231 HE2 PHE 32 HE2 PHE 32 4.403 5.974 -4.612 232 HZ PHE 32 HZ PHE 32 3.611 6.424 -2.326 233 H ASN 33 HN ASN 33 4.278 11.060 -3.490 234 HA ASN 33 HA ASN 33 7.027 11.625 -4.386 235 1HB ASN 33 HB2 ASN 33 5.599 12.757 -2.293 236 2HB ASN 33 HB1 ASN 33 6.629 11.569 -1.497 237 1HD2 ASN 33 HD21 ASN 33 6.698 14.494 -1.436 238 2HD2 ASN 33 HD22 ASN 33 8.285 14.938 -1.953 239 H GLY 34 HN GLY 34 4.981 9.395 -2.599 240 1HA GLY 34 HA2 GLY 34 5.905 7.019 -3.126 241 2HA GLY 34 HA1 GLY 34 7.265 7.599 -2.179 242 H ILE 35 HN ILE 35 6.452 5.521 -1.043 243 HA ILE 35 HA ILE 35 4.469 6.290 0.998 244 HB ILE 35 HB ILE 35 5.248 3.452 0.464 245 1HG1 ILE 35 HG12 ILE 35 4.194 4.898 -1.554 246 2HG1 ILE 35 HG11 ILE 35 3.873 3.187 -1.319 247 1HG2 ILE 35 HG21 ILE 35 3.138 2.944 1.517 248 2HG2 ILE 35 HG22 ILE 35 2.727 4.658 1.582 249 3HG2 ILE 35 HG23 ILE 35 4.070 4.034 2.542 250 1HD1 ILE 35 HD11 ILE 35 2.128 5.436 -0.349 251 2HD1 ILE 35 HD12 ILE 35 1.799 3.713 -0.179 252 3HD1 ILE 35 HD13 ILE 35 1.844 4.447 -1.779 253 H SER 36 HN SER 36 5.862 7.177 2.453 254 HA SER 36 HA SER 36 8.370 6.026 3.177 255 1HB SER 36 HB2 SER 36 6.636 8.204 4.263 256 2HB SER 36 HB1 SER 36 7.852 7.523 5.341 257 HG SER 36 HG SER 36 8.534 8.319 2.726 258 H GLU 37 HN GLU 37 5.124 5.354 4.052 259 HA GLU 37 HA GLU 37 5.504 4.165 6.560 260 1HB GLU 37 HB2 GLU 37 3.409 4.618 4.825 261 2HB GLU 37 HB1 GLU 37 3.566 2.874 4.796 262 1HG GLU 37 HG2 GLU 37 2.791 2.640 6.891 263 2HG GLU 37 HG1 GLU 37 3.615 4.090 7.465 264 H LEU 38 HN LEU 38 6.235 3.261 3.327 265 HA LEU 38 HA LEU 38 7.629 0.886 4.230 266 1HB LEU 38 HB2 LEU 38 6.626 -0.185 2.026 267 2HB LEU 38 HB1 LEU 38 5.823 -0.337 3.577 268 HG LEU 38 HG LEU 38 5.039 2.020 2.004 269 1HD1 LEU 38 HD11 LEU 38 5.318 -0.302 0.565 270 2HD1 LEU 38 HD12 LEU 38 4.261 1.045 0.160 271 3HD1 LEU 38 HD13 LEU 38 3.626 -0.329 1.054 272 1HD2 LEU 38 HD21 LEU 38 3.008 0.135 2.882 273 2HD2 LEU 38 HD22 LEU 38 3.203 1.844 3.255 274 3HD2 LEU 38 HD23 LEU 38 4.091 0.633 4.179 275 H GLN 39 HN GLN 39 9.490 2.059 3.752 276 HA GLN 39 HA GLN 39 10.311 3.638 1.893 277 1HB GLN 39 HB2 GLN 39 11.796 2.663 3.597 278 2HB GLN 39 HB1 GLN 39 11.879 1.178 2.661 279 1HG GLN 39 HG2 GLN 39 13.540 1.984 1.452 280 2HG GLN 39 HG1 GLN 39 12.567 3.378 0.982 281 1HE2 GLN 39 HE21 GLN 39 12.235 4.685 3.334 282 2HE2 GLN 39 HE22 GLN 39 13.761 5.229 3.937 283 H SER 40 HN SER 40 9.364 3.614 0.162 284 HA SER 40 HA SER 40 8.348 2.504 -1.774 285 1HB SER 40 HB2 SER 40 9.326 4.548 -2.381 286 2HB SER 40 HB1 SER 40 10.963 3.930 -2.157 287 HG SER 40 HG SER 40 9.228 2.842 -4.101 288 H SER 41 HN SER 41 11.683 1.553 -1.163 289 HA SER 41 HA SER 41 12.084 -0.221 -3.223 290 1HB SER 41 HB2 SER 41 14.003 -0.280 -2.042 291 2HB SER 41 HB1 SER 41 13.179 0.145 -0.545 292 HG SER 41 HG SER 41 13.522 -2.415 -1.686 293 H GLN 42 HN GLN 42 9.905 -0.510 -0.572 294 HA GLN 42 HA GLN 42 9.559 -3.267 -0.433 295 1HB GLN 42 HB2 GLN 42 7.296 -1.358 -0.036 296 2HB GLN 42 HB1 GLN 42 7.721 -2.775 0.870 297 1HG GLN 42 HG2 GLN 42 8.801 -0.036 1.070 298 2HG GLN 42 HG1 GLN 42 8.244 -1.115 2.339 299 1HE2 GLN 42 HE21 GLN 42 10.390 -0.065 3.098 300 2HE2 GLN 42 HE22 GLN 42 11.800 -1.031 2.847 301 H TYR 43 HN TYR 43 8.355 -0.915 -2.657 302 HA TYR 43 HA TYR 43 6.981 -3.031 -4.167 303 1HB TYR 43 HB2 TYR 43 5.450 -1.066 -4.935 304 2HB TYR 43 HB1 TYR 43 5.154 -1.838 -3.382 305 HD1 TYR 43 HD1 TYR 43 6.113 -0.720 -1.305 306 HD2 TYR 43 HD2 TYR 43 5.817 1.232 -5.068 307 HE1 TYR 43 HE1 TYR 43 6.296 1.452 -0.182 308 HE2 TYR 43 HE2 TYR 43 5.996 3.415 -3.948 309 HH TYR 43 HH TYR 43 6.847 3.692 -0.611 310 H THR 44 HN THR 44 6.312 -1.725 -6.358 311 HA THR 44 HA THR 44 8.794 -0.700 -7.507 312 HB THR 44 HB THR 44 6.933 -2.226 -9.250 313 HG1 THR 44 HG1 THR 44 8.740 -3.560 -7.525 314 1HG2 THR 44 HG21 THR 44 9.037 -3.092 -10.187 315 2HG2 THR 44 HG22 THR 44 9.928 -2.121 -9.018 316 3HG2 THR 44 HG23 THR 44 8.930 -1.334 -10.240 317 H LYS 45 HN LYS 45 8.080 1.369 -7.288 318 HA LYS 45 HA LYS 45 5.567 2.335 -8.089 319 1HB LYS 45 HB2 LYS 45 8.216 3.570 -7.456 320 2HB LYS 45 HB1 LYS 45 6.919 4.543 -8.093 321 1HG LYS 45 HG2 LYS 45 5.515 3.551 -6.177 322 2HG LYS 45 HG1 LYS 45 7.082 3.122 -5.482 323 1HD LYS 45 HD2 LYS 45 6.213 5.299 -4.673 324 2HD LYS 45 HD1 LYS 45 7.774 5.429 -5.489 325 1HE LYS 45 HE2 LYS 45 5.924 7.146 -6.048 326 2HE LYS 45 HE1 LYS 45 6.856 6.435 -7.364 327 1HZ LYS 45 HZ1 LYS 45 5.059 4.875 -7.758 328 2HZ LYS 45 HZ2 LYS 45 4.488 6.464 -7.855 329 3HZ LYS 45 HZ3 LYS 45 4.166 5.534 -6.479 330 H GLY 46 HN GLY 46 5.354 4.099 -9.711 331 1HA GLY 46 HA2 GLY 46 7.066 4.235 -11.966 332 2HA GLY 46 HA1 GLY 46 5.701 3.175 -12.295 333 H THR 47 HN THR 47 6.593 6.445 -11.287 334 HA THR 47 HA THR 47 4.992 8.240 -10.997 335 HB THR 47 HB THR 47 6.535 8.917 -12.645 336 HG1 THR 47 HG1 THR 47 4.047 9.134 -13.976 337 1HG2 THR 47 HG21 THR 47 7.076 7.579 -14.318 338 2HG2 THR 47 HG22 THR 47 5.591 8.085 -15.127 339 3HG2 THR 47 HG23 THR 47 5.597 6.638 -14.119 340 H ASN 48 HN ASN 48 2.977 7.644 -10.369 341 HA ASN 48 HA ASN 48 0.704 7.647 -10.632 342 1HB ASN 48 HB2 ASN 48 -0.127 8.390 -12.563 343 2HB ASN 48 HB1 ASN 48 1.482 8.303 -13.233 344 1HD2 ASN 48 HD21 ASN 48 2.073 6.485 -14.454 345 2HD2 ASN 48 HD22 ASN 48 0.878 5.471 -15.171 346 H GLU 49 HN GLU 49 2.854 5.324 -10.818 347 HA GLU 49 HA GLU 49 0.809 3.246 -10.711 348 1HB GLU 49 HB2 GLU 49 3.411 2.870 -12.174 349 2HB GLU 49 HB1 GLU 49 2.123 1.698 -12.009 350 1HG GLU 49 HG2 GLU 49 0.638 3.176 -13.299 351 2HG GLU 49 HG1 GLU 49 1.985 4.294 -13.521 352 H VAL 50 HN VAL 50 1.157 1.710 -9.221 353 HA VAL 50 HA VAL 50 3.728 1.633 -7.805 354 HB VAL 50 HB VAL 50 1.820 1.291 -5.787 355 1HG1 VAL 50 HG11 VAL 50 4.068 2.228 -5.555 356 2HG1 VAL 50 HG12 VAL 50 2.849 3.272 -4.820 357 3HG1 VAL 50 HG13 VAL 50 3.542 3.692 -6.389 358 1HG2 VAL 50 HG21 VAL 50 0.298 3.014 -5.850 359 2HG2 VAL 50 HG22 VAL 50 0.354 2.551 -7.549 360 3HG2 VAL 50 HG23 VAL 50 1.251 3.959 -6.991 361 H THR 51 HN THR 51 4.394 -0.435 -7.662 362 HA THR 51 HA THR 51 2.297 -2.509 -7.648 363 HB THR 51 HB THR 51 5.104 -2.808 -8.716 364 HG1 THR 51 HG1 THR 51 2.688 -2.097 -9.981 365 1HG2 THR 51 HG21 THR 51 2.800 -4.516 -9.501 366 2HG2 THR 51 HG22 THR 51 3.660 -4.851 -7.999 367 3HG2 THR 51 HG23 THR 51 4.528 -4.864 -9.535 368 H LEU 52 HN LEU 52 2.090 -3.400 -5.695 369 HA LEU 52 HA LEU 52 4.098 -3.385 -3.699 370 1HB LEU 52 HB2 LEU 52 1.522 -4.925 -4.045 371 2HB LEU 52 HB1 LEU 52 2.544 -5.119 -2.641 372 HG LEU 52 HG LEU 52 2.242 -2.729 -2.140 373 1HD1 LEU 52 HD11 LEU 52 0.505 -1.455 -3.254 374 2HD1 LEU 52 HD12 LEU 52 0.207 -2.803 -4.350 375 3HD1 LEU 52 HD13 LEU 52 1.748 -1.946 -4.404 376 1HD2 LEU 52 HD21 LEU 52 0.242 -4.809 -2.003 377 2HD2 LEU 52 HD22 LEU 52 -0.470 -3.197 -1.971 378 3HD2 LEU 52 HD23 LEU 52 0.744 -3.647 -0.778 379 H LEU 53 HN LEU 53 5.693 -4.888 -3.308 380 HA LEU 53 HA LEU 53 5.739 -7.122 -5.180 381 1HB LEU 53 HB2 LEU 53 7.939 -5.871 -3.539 382 2HB LEU 53 HB1 LEU 53 8.159 -7.320 -4.503 383 HG LEU 53 HG LEU 53 7.183 -4.770 -5.752 384 1HD1 LEU 53 HD11 LEU 53 9.841 -4.920 -6.394 385 2HD1 LEU 53 HD12 LEU 53 9.832 -5.341 -4.681 386 3HD1 LEU 53 HD13 LEU 53 9.128 -3.817 -5.217 387 1HD2 LEU 53 HD21 LEU 53 8.180 -5.770 -7.758 388 2HD2 LEU 53 HD22 LEU 53 6.939 -6.804 -7.054 389 3HD2 LEU 53 HD23 LEU 53 8.643 -7.184 -6.813 390 H ALA 54 HN ALA 54 4.764 -8.823 -4.400 391 HA ALA 54 HA ALA 54 4.078 -9.627 -1.956 392 1HB ALA 54 HB1 ALA 54 3.686 -11.691 -2.820 393 2HB ALA 54 HB2 ALA 54 5.240 -11.764 -3.649 394 3HB ALA 54 HB3 ALA 54 3.931 -10.791 -4.319 395 H SER 55 HN SER 55 7.354 -9.430 -3.010 396 HA SER 55 HA SER 55 8.436 -11.333 -1.197 397 1HB SER 55 HB2 SER 55 10.568 -9.798 -1.653 398 2HB SER 55 HB1 SER 55 9.960 -10.917 -2.871 399 HG SER 55 HG SER 55 9.375 -8.144 -2.685 400 H TYR 56 HN TYR 56 8.199 -7.790 -1.112 401 HA TYR 56 HA TYR 56 9.313 -7.598 1.512 402 1HB TYR 56 HB2 TYR 56 9.440 -5.663 0.093 403 2HB TYR 56 HB1 TYR 56 7.701 -5.663 -0.154 404 HD1 TYR 56 HD1 TYR 56 6.184 -5.021 1.708 405 HD2 TYR 56 HD2 TYR 56 10.411 -4.640 2.016 406 HE1 TYR 56 HE1 TYR 56 5.905 -3.513 3.630 407 HE2 TYR 56 HE2 TYR 56 10.140 -3.129 3.939 408 HH TYR 56 HH TYR 56 7.279 -1.652 4.725 409 H LEU 57 HN LEU 57 6.074 -7.097 0.222 410 HA LEU 57 HA LEU 57 4.670 -6.772 2.543 411 1HB LEU 57 HB2 LEU 57 4.045 -7.141 -0.122 412 2HB LEU 57 HB1 LEU 57 3.246 -8.483 0.674 413 HG LEU 57 HG LEU 57 2.087 -6.944 2.154 414 1HD1 LEU 57 HD11 LEU 57 2.914 -4.923 2.532 415 2HD1 LEU 57 HD12 LEU 57 2.477 -4.462 0.886 416 3HD1 LEU 57 HD13 LEU 57 4.079 -5.120 1.222 417 1HD2 LEU 57 HD21 LEU 57 0.555 -7.092 0.540 418 2HD2 LEU 57 HD22 LEU 57 1.778 -7.010 -0.723 419 3HD2 LEU 57 HD23 LEU 57 1.133 -5.528 -0.025 420 H ASN 58 HN ASN 58 5.607 -9.817 0.995 421 HA ASN 58 HA ASN 58 4.279 -11.471 2.865 422 1HB ASN 58 HB2 ASN 58 4.953 -12.397 0.735 423 2HB ASN 58 HB1 ASN 58 6.643 -12.010 1.051 424 1HD2 ASN 58 HD21 ASN 58 4.455 -13.314 3.446 425 2HD2 ASN 58 HD22 ASN 58 5.218 -14.857 3.581 426 H THR 59 HN THR 59 7.247 -9.727 2.913 427 HA THR 59 HA THR 59 8.455 -11.217 5.036 428 HB THR 59 HB THR 59 9.159 -8.501 3.924 429 HG1 THR 59 HG1 THR 59 9.267 -10.555 2.587 430 1HG2 THR 59 HG21 THR 59 10.175 -8.776 6.092 431 2HG2 THR 59 HG22 THR 59 11.397 -8.926 4.829 432 3HG2 THR 59 HG23 THR 59 10.780 -10.368 5.635 433 H LEU 60 HN LEU 60 6.410 -8.405 4.791 434 HA LEU 60 HA LEU 60 6.760 -7.014 7.066 435 1HB LEU 60 HB2 LEU 60 4.463 -7.696 5.427 436 2HB LEU 60 HB1 LEU 60 4.006 -7.439 7.097 437 HG LEU 60 HG LEU 60 4.111 -5.483 5.263 438 1HD1 LEU 60 HD11 LEU 60 4.949 -4.794 8.040 439 2HD1 LEU 60 HD12 LEU 60 3.396 -5.582 7.771 440 3HD1 LEU 60 HD13 LEU 60 3.744 -4.031 7.006 441 1HD2 LEU 60 HD21 LEU 60 6.587 -5.783 5.030 442 2HD2 LEU 60 HD22 LEU 60 6.748 -5.214 6.690 443 3HD2 LEU 60 HD23 LEU 60 6.070 -4.153 5.458 444 HA PRO 61 HA PRO 61 6.749 -9.602 10.629 445 1HB PRO 61 HB2 PRO 61 5.139 -7.386 11.815 446 2HB PRO 61 HB1 PRO 61 6.592 -8.182 12.437 447 1HG PRO 61 HG2 PRO 61 6.742 -5.766 11.334 448 2HG PRO 61 HG1 PRO 61 8.008 -6.975 11.052 449 1HD PRO 61 HD2 PRO 61 5.835 -6.042 9.238 450 2HD PRO 61 HD1 PRO 61 7.487 -6.562 8.847 451 H GLU 62 HN GLU 62 4.998 -10.059 12.507 452 HA GLU 62 HA GLU 62 3.016 -11.633 11.381 453 1HB GLU 62 HB2 GLU 62 2.174 -11.950 13.590 454 2HB GLU 62 HB1 GLU 62 3.922 -11.805 13.716 455 1HG GLU 62 HG2 GLU 62 3.435 -9.306 14.180 456 2HG GLU 62 HG1 GLU 62 1.803 -9.870 14.538 457 H ASN 63 HN ASN 63 0.686 -11.188 12.588 458 HA ASN 63 HA ASN 63 -0.808 -9.799 10.935 459 1HB ASN 63 HB2 ASN 63 -1.812 -11.155 12.641 460 2HB ASN 63 HB1 ASN 63 -1.226 -10.077 13.905 461 1HD2 ASN 63 HD21 ASN 63 -2.602 -9.052 10.849 462 2HD2 ASN 63 HD22 ASN 63 -4.026 -8.336 11.516 463 H THR 64 HN THR 64 0.768 -8.004 10.471 464 HA THR 64 HA THR 64 0.356 -5.705 12.261 465 HB THR 64 HB THR 64 2.266 -4.699 10.924 466 HG1 THR 64 HG1 THR 64 2.669 -7.372 10.095 467 1HG2 THR 64 HG21 THR 64 3.185 -7.245 12.181 468 2HG2 THR 64 HG22 THR 64 2.481 -5.959 13.163 469 3HG2 THR 64 HG23 THR 64 3.930 -5.646 12.206 470 H THR 65 HN THR 65 -0.416 -3.759 11.485 471 HA THR 65 HA THR 65 -2.068 -3.957 9.123 472 HB THR 65 HB THR 65 -1.790 -1.369 10.500 473 HG1 THR 65 HG1 THR 65 -2.037 -2.158 12.412 474 1HG2 THR 65 HG21 THR 65 -3.669 -1.192 9.305 475 2HG2 THR 65 HG22 THR 65 -4.398 -2.048 10.666 476 3HG2 THR 65 HG23 THR 65 -3.904 -2.940 9.225 477 H LYS 66 HN LYS 66 -0.392 -4.118 7.544 478 HA LYS 66 HA LYS 66 1.568 -2.136 7.142 479 1HB LYS 66 HB2 LYS 66 2.055 -4.142 6.082 480 2HB LYS 66 HB1 LYS 66 0.410 -4.363 5.511 481 1HG LYS 66 HG2 LYS 66 1.772 -3.916 3.628 482 2HG LYS 66 HG1 LYS 66 0.799 -2.477 3.919 483 1HD LYS 66 HD2 LYS 66 2.593 -1.239 4.624 484 2HD LYS 66 HD1 LYS 66 3.490 -2.653 5.173 485 1HE LYS 66 HE2 LYS 66 4.310 -1.443 3.057 486 2HE LYS 66 HE1 LYS 66 4.182 -3.202 3.016 487 1HZ LYS 66 HZ1 LYS 66 2.025 -2.968 1.926 488 2HZ LYS 66 HZ2 LYS 66 3.257 -2.243 1.021 489 3HZ LYS 66 HZ3 LYS 66 2.197 -1.286 1.925 490 H THR 67 HN THR 67 0.737 -0.089 7.117 491 HA THR 67 HA THR 67 -1.456 0.487 5.298 492 HB THR 67 HB THR 67 -1.680 1.273 7.556 493 HG1 THR 67 HG1 THR 67 -1.140 3.428 5.799 494 1HG2 THR 67 HG21 THR 67 0.149 1.803 8.681 495 2HG2 THR 67 HG22 THR 67 -0.022 3.390 7.930 496 3HG2 THR 67 HG23 THR 67 1.048 2.186 7.216 497 H LEU 68 HN LEU 68 -1.093 1.227 3.368 498 HA LEU 68 HA LEU 68 1.494 2.269 2.591 499 1HB LEU 68 HB2 LEU 68 -0.790 1.003 1.293 500 2HB LEU 68 HB1 LEU 68 -0.170 2.364 0.385 501 HG LEU 68 HG LEU 68 1.957 0.600 1.252 502 1HD1 LEU 68 HD11 LEU 68 0.420 -1.187 1.128 503 2HD1 LEU 68 HD12 LEU 68 1.332 -1.205 -0.374 504 3HD1 LEU 68 HD13 LEU 68 -0.300 -0.551 -0.343 505 1HD2 LEU 68 HD21 LEU 68 2.087 0.578 -1.393 506 2HD2 LEU 68 HD22 LEU 68 2.611 1.962 -0.437 507 3HD2 LEU 68 HD23 LEU 68 1.021 1.970 -1.194 508 H THR 69 HN THR 69 1.496 4.351 3.559 509 HA THR 69 HA THR 69 -0.649 6.192 2.887 510 HB THR 69 HB THR 69 1.779 6.353 4.645 511 HG1 THR 69 HG1 THR 69 -0.162 5.526 5.494 512 1HG2 THR 69 HG21 THR 69 0.495 8.609 3.335 513 2HG2 THR 69 HG22 THR 69 2.005 8.527 4.244 514 3HG2 THR 69 HG23 THR 69 0.471 8.714 5.093 515 H PHE 70 HN PHE 70 -0.573 6.749 0.767 516 HA PHE 70 HA PHE 70 1.893 7.235 -0.610 517 1HB PHE 70 HB2 PHE 70 -1.018 7.608 -1.308 518 2HB PHE 70 HB1 PHE 70 0.262 8.120 -2.390 519 HD1 PHE 70 HD1 PHE 70 -0.998 5.142 -0.562 520 HD2 PHE 70 HD2 PHE 70 1.152 6.628 -3.916 521 HE1 PHE 70 HE1 PHE 70 -0.896 2.870 -1.499 522 HE2 PHE 70 HE2 PHE 70 1.259 4.362 -4.858 523 HZ PHE 70 HZ PHE 70 0.227 2.477 -3.651 524 H ASP 71 HN ASP 71 3.035 8.952 0.191 525 HA ASP 71 HA ASP 71 1.808 11.398 0.960 526 1HB ASP 71 HB2 ASP 71 4.547 11.828 0.332 527 2HB ASP 71 HB1 ASP 71 3.795 11.699 1.910 528 H PHE 72 HN PHE 72 0.632 12.294 -0.643 529 HA PHE 72 HA PHE 72 1.736 12.638 -3.314 530 1HB PHE 72 HB2 PHE 72 -0.896 12.683 -2.080 531 2HB PHE 72 HB1 PHE 72 -0.653 14.076 -3.123 532 HD1 PHE 72 HD1 PHE 72 -1.053 10.470 -2.970 533 HD2 PHE 72 HD2 PHE 72 -0.284 13.791 -5.513 534 HE1 PHE 72 HE1 PHE 72 -1.573 9.084 -4.932 535 HE2 PHE 72 HE2 PHE 72 -0.798 12.411 -7.484 536 HZ PHE 72 HZ PHE 72 -1.443 10.053 -7.190 537 H GLY 73 HN GLY 73 2.737 14.039 -0.779 538 1HA GLY 73 HA2 GLY 73 3.745 16.065 -0.380 539 2HA GLY 73 HA1 GLY 73 3.277 16.551 -2.002 540 H VAL 74 HN VAL 74 0.507 15.524 -0.631 541 HA VAL 74 HA VAL 74 -0.238 18.252 0.145 542 HB VAL 74 HB VAL 74 -2.558 17.547 -0.222 543 1HG1 VAL 74 HG11 VAL 74 -2.432 17.285 -2.664 544 2HG1 VAL 74 HG12 VAL 74 -0.708 16.936 -2.524 545 3HG1 VAL 74 HG13 VAL 74 -1.326 18.524 -2.070 546 1HG2 VAL 74 HG21 VAL 74 -2.942 15.344 -1.366 547 2HG2 VAL 74 HG22 VAL 74 -2.496 15.236 0.331 548 3HG2 VAL 74 HG23 VAL 74 -1.297 14.901 -0.913 549 H GLY 75 HN GLY 75 -0.683 14.860 1.133 550 1HA GLY 75 HA2 GLY 75 -0.663 14.025 3.306 551 2HA GLY 75 HA1 GLY 75 -0.621 15.664 3.922 552 H THR 76 HN THR 76 -2.845 16.718 2.727 553 HA THR 76 HA THR 76 -4.895 15.933 4.455 554 HB THR 76 HB THR 76 -5.183 17.432 1.844 555 HG1 THR 76 HG1 THR 76 -4.333 18.220 4.403 556 1HG2 THR 76 HG21 THR 76 -6.952 17.160 4.236 557 2HG2 THR 76 HG22 THR 76 -7.359 17.042 2.524 558 3HG2 THR 76 HG23 THR 76 -6.991 18.614 3.236 559 H LYS 77 HN LYS 77 -4.879 15.583 0.900 560 HA LYS 77 HA LYS 77 -6.911 13.552 1.080 561 1HB LYS 77 HB2 LYS 77 -5.529 14.389 -1.444 562 2HB LYS 77 HB1 LYS 77 -7.154 13.749 -1.246 563 1HG LYS 77 HG2 LYS 77 -7.086 16.103 0.257 564 2HG LYS 77 HG1 LYS 77 -6.254 16.473 -1.251 565 1HD LYS 77 HD2 LYS 77 -8.239 16.680 -2.231 566 2HD LYS 77 HD1 LYS 77 -8.508 14.958 -1.958 567 1HE LYS 77 HE2 LYS 77 -8.988 16.588 0.406 568 2HE LYS 77 HE1 LYS 77 -10.029 17.015 -0.946 569 1HZ LYS 77 HZ1 LYS 77 -10.869 14.833 -1.052 570 2HZ LYS 77 HZ2 LYS 77 -10.887 15.242 0.583 571 3HZ LYS 77 HZ3 LYS 77 -9.678 14.224 -0.017 572 H ASN 78 HN ASN 78 -3.848 13.348 1.760 573 HA ASN 78 HA ASN 78 -2.539 11.559 0.171 574 1HB ASN 78 HB2 ASN 78 -1.273 12.233 1.977 575 2HB ASN 78 HB1 ASN 78 -2.593 12.018 3.121 576 1HD2 ASN 78 HD21 ASN 78 -1.408 9.676 0.777 577 2HD2 ASN 78 HD22 ASN 78 -0.858 8.520 1.939 578 HA PRO 79 HA PRO 79 -5.647 8.257 0.347 579 1HB PRO 79 HB2 PRO 79 -4.196 7.192 -1.948 580 2HB PRO 79 HB1 PRO 79 -5.871 7.728 -1.838 581 1HG PRO 79 HG2 PRO 79 -3.988 9.100 -3.222 582 2HG PRO 79 HG1 PRO 79 -5.364 9.887 -2.428 583 1HD PRO 79 HD2 PRO 79 -2.518 9.678 -1.525 584 2HD PRO 79 HD1 PRO 79 -3.638 11.052 -1.414 585 H LYS 80 HN LYS 80 -4.932 7.223 2.179 586 HA LYS 80 HA LYS 80 -2.477 5.685 2.141 587 1HB LYS 80 HB2 LYS 80 -3.379 6.928 4.169 588 2HB LYS 80 HB1 LYS 80 -4.609 5.676 4.279 589 1HG LYS 80 HG2 LYS 80 -2.979 3.998 4.701 590 2HG LYS 80 HG1 LYS 80 -1.656 5.106 4.324 591 1HD LYS 80 HD2 LYS 80 -1.671 5.099 6.645 592 2HD LYS 80 HD1 LYS 80 -2.625 6.531 6.258 593 1HE LYS 80 HE2 LYS 80 -4.078 3.963 6.538 594 2HE LYS 80 HE1 LYS 80 -3.431 4.685 8.010 595 1HZ LYS 80 HZ1 LYS 80 -4.961 6.373 6.159 596 2HZ LYS 80 HZ2 LYS 80 -4.804 6.489 7.840 597 3HZ LYS 80 HZ3 LYS 80 -5.800 5.299 7.163 598 H LEU 81 HN LEU 81 -2.505 3.362 2.750 599 HA LEU 81 HA LEU 81 -4.899 1.957 1.861 600 1HB LEU 81 HB2 LEU 81 -2.236 1.943 0.651 601 2HB LEU 81 HB1 LEU 81 -2.891 0.343 0.949 602 HG LEU 81 HG LEU 81 -4.930 1.902 -0.251 603 1HD1 LEU 81 HD11 LEU 81 -2.603 1.830 -2.094 604 2HD1 LEU 81 HD12 LEU 81 -2.727 3.160 -0.944 605 3HD1 LEU 81 HD13 LEU 81 -4.024 2.876 -2.103 606 1HD2 LEU 81 HD21 LEU 81 -4.062 -0.646 -0.317 607 2HD2 LEU 81 HD22 LEU 81 -3.458 -0.066 -1.870 608 3HD2 LEU 81 HD23 LEU 81 -5.178 0.036 -1.496 609 H THR 82 HN THR 82 -5.360 1.397 4.017 610 HA THR 82 HA THR 82 -3.403 0.218 5.697 611 HB THR 82 HB THR 82 -5.029 1.056 7.029 612 HG1 THR 82 HG1 THR 82 -5.752 -0.623 8.040 613 1HG2 THR 82 HG21 THR 82 -7.484 0.857 6.571 614 2HG2 THR 82 HG22 THR 82 -7.058 0.241 4.977 615 3HG2 THR 82 HG23 THR 82 -6.578 1.870 5.447 616 H ILE 83 HN ILE 83 -2.502 -1.423 4.374 617 HA ILE 83 HA ILE 83 -4.157 -3.748 3.849 618 HB ILE 83 HB ILE 83 -2.877 -3.919 2.067 619 1HG1 ILE 83 HG12 ILE 83 -0.470 -4.248 3.851 620 2HG1 ILE 83 HG11 ILE 83 -1.621 -5.534 3.489 621 1HG2 ILE 83 HG21 ILE 83 -2.376 -1.494 2.436 622 2HG2 ILE 83 HG22 ILE 83 -1.257 -2.380 1.404 623 3HG2 ILE 83 HG23 ILE 83 -0.816 -2.011 3.066 624 1HD1 ILE 83 HD11 ILE 83 -0.964 -5.638 1.250 625 2HD1 ILE 83 HD12 ILE 83 0.535 -5.479 2.157 626 3HD1 ILE 83 HD13 ILE 83 -0.139 -4.079 1.322 627 H THR 84 HN THR 84 -4.212 -5.425 5.203 628 HA THR 84 HA THR 84 -2.395 -5.425 7.479 629 HB THR 84 HB THR 84 -4.550 -7.411 7.452 630 HG1 THR 84 HG1 THR 84 -5.261 -4.680 7.607 631 1HG2 THR 84 HG21 THR 84 -3.766 -5.233 9.367 632 2HG2 THR 84 HG22 THR 84 -3.395 -6.952 9.500 633 3HG2 THR 84 HG23 THR 84 -5.063 -6.397 9.640 634 H VAL 85 HN VAL 85 -0.803 -6.798 7.694 635 HA VAL 85 HA VAL 85 -0.688 -9.152 5.941 636 HB VAL 85 HB VAL 85 1.795 -8.813 7.227 637 1HG1 VAL 85 HG11 VAL 85 0.819 -9.317 4.707 638 2HG1 VAL 85 HG12 VAL 85 2.517 -9.185 5.153 639 3HG1 VAL 85 HG13 VAL 85 1.665 -7.784 4.512 640 1HG2 VAL 85 HG21 VAL 85 2.356 -6.498 6.337 641 2HG2 VAL 85 HG22 VAL 85 1.405 -6.575 7.821 642 3HG2 VAL 85 HG23 VAL 85 0.618 -6.217 6.283 643 H LEU 86 HN LEU 86 -1.550 -10.850 7.008 644 HA LEU 86 HA LEU 86 -0.624 -11.323 9.764 645 1HB LEU 86 HB2 LEU 86 -3.081 -12.696 8.910 646 2HB LEU 86 HB1 LEU 86 -2.695 -11.927 10.437 647 HG LEU 86 HG LEU 86 -2.986 -9.709 9.061 648 1HD1 LEU 86 HD11 LEU 86 -3.854 -9.850 7.024 649 2HD1 LEU 86 HD12 LEU 86 -5.139 -10.921 7.584 650 3HD1 LEU 86 HD13 LEU 86 -3.581 -11.592 7.093 651 1HD2 LEU 86 HD21 LEU 86 -5.548 -11.116 9.622 652 2HD2 LEU 86 HD22 LEU 86 -5.043 -9.479 10.040 653 3HD2 LEU 86 HD23 LEU 86 -4.415 -10.858 10.948 654 HA PRO 87 HA PRO 87 1.053 -14.843 7.380 655 1HB PRO 87 HB2 PRO 87 3.220 -15.214 8.940 656 2HB PRO 87 HB1 PRO 87 3.165 -13.980 7.680 657 1HG PRO 87 HG2 PRO 87 2.748 -13.691 10.628 658 2HG PRO 87 HG1 PRO 87 3.674 -12.657 9.522 659 1HD PRO 87 HD2 PRO 87 1.164 -12.044 10.362 660 2HD PRO 87 HD1 PRO 87 1.795 -11.556 8.776 661 H LYS 88 HN LYS 88 0.573 -14.425 10.768 662 HA LYS 88 HA LYS 88 0.751 -17.126 11.564 663 1HB LYS 88 HB2 LYS 88 -1.078 -15.822 13.282 664 2HB LYS 88 HB1 LYS 88 0.611 -16.179 13.576 665 1HG LYS 88 HG2 LYS 88 1.249 -14.037 12.627 666 2HG LYS 88 HG1 LYS 88 -0.433 -13.684 12.255 667 1HD LYS 88 HD2 LYS 88 -0.234 -12.571 14.242 668 2HD LYS 88 HD1 LYS 88 -0.734 -14.155 14.837 669 1HE LYS 88 HE2 LYS 88 2.053 -14.268 14.585 670 2HE LYS 88 HE1 LYS 88 1.697 -12.708 15.323 671 1HZ LYS 88 HZ1 LYS 88 1.536 -15.321 16.454 672 2HZ LYS 88 HZ2 LYS 88 0.078 -14.482 16.633 673 3HZ LYS 88 HZ3 LYS 88 1.514 -13.815 17.224 674 H ASP 89 HN ASP 89 -0.567 -18.767 11.188 675 HA ASP 89 HA ASP 89 -3.238 -18.217 10.139 676 1HB ASP 89 HB2 ASP 89 -1.219 -20.135 9.565 677 2HB ASP 89 HB1 ASP 89 -2.642 -21.000 10.131 678 H ILE 90 HN ILE 90 -2.621 -17.909 12.918 679 HA ILE 90 HA ILE 90 -4.714 -19.617 14.004 680 HB ILE 90 HB ILE 90 -1.999 -19.460 15.315 681 1HG1 ILE 90 HG12 ILE 90 -2.058 -20.939 13.324 682 2HG1 ILE 90 HG11 ILE 90 -1.799 -21.830 14.820 683 1HG2 ILE 90 HG21 ILE 90 -2.892 -20.938 16.988 684 2HG2 ILE 90 HG22 ILE 90 -4.431 -21.039 16.133 685 3HG2 ILE 90 HG23 ILE 90 -3.932 -19.518 16.869 686 1HD1 ILE 90 HD11 ILE 90 -3.434 -22.771 13.084 687 2HD1 ILE 90 HD12 ILE 90 -4.542 -21.531 13.673 688 3HD1 ILE 90 HD13 ILE 90 -3.922 -22.759 14.778 689 HA PRO 91 HA PRO 91 -5.145 -15.314 15.506 690 1HB PRO 91 HB2 PRO 91 -7.850 -15.421 15.717 691 2HB PRO 91 HB1 PRO 91 -7.018 -15.080 14.195 692 1HG PRO 91 HG2 PRO 91 -8.187 -17.655 15.175 693 2HG PRO 91 HG1 PRO 91 -8.280 -16.927 13.561 694 1HD PRO 91 HD2 PRO 91 -6.553 -18.922 14.164 695 2HD PRO 91 HD1 PRO 91 -6.175 -17.661 12.974 696 H GLY 92 HN GLY 92 -6.074 -14.456 17.510 697 1HA GLY 92 HA2 GLY 92 -6.514 -14.528 19.765 698 2HA GLY 92 HA1 GLY 92 -7.151 -16.147 19.515 699 H LEU 93 HN LEU 93 -3.876 -14.902 18.957 700 HA LEU 93 HA LEU 93 -2.899 -16.575 21.153 701 1HB LEU 93 HB2 LEU 93 -2.627 -17.207 18.416 702 2HB LEU 93 HB1 LEU 93 -1.052 -16.662 18.954 703 HG LEU 93 HG LEU 93 -1.108 -19.028 19.200 704 1HD1 LEU 93 HD11 LEU 93 -1.241 -19.137 21.856 705 2HD1 LEU 93 HD12 LEU 93 -1.200 -17.384 21.660 706 3HD1 LEU 93 HD13 LEU 93 0.097 -18.376 21.003 707 1HD2 LEU 93 HD21 LEU 93 -3.815 -18.721 19.547 708 2HD2 LEU 93 HD22 LEU 93 -3.266 -19.227 21.146 709 3HD2 LEU 93 HD23 LEU 93 -2.914 -20.226 19.735 710 H GLU 94 HN GLU 94 -0.153 -16.146 20.529 711 HA GLU 94 HA GLU 94 0.048 -13.293 21.208 712 1HB GLU 94 HB2 GLU 94 1.781 -15.667 21.863 713 2HB GLU 94 HB1 GLU 94 2.366 -14.019 22.042 714 1HG GLU 94 HG2 GLU 94 1.504 -14.027 24.077 715 2HG GLU 94 HG1 GLU 94 -0.090 -14.029 23.329 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -5.623 24.192 -3.489 2 2H MET 1 HT2 MET 1 -5.821 24.094 -5.190 3 3H MET 1 HT3 MET 1 -4.502 23.303 -4.429 4 HA MET 1 HA MET 1 -6.038 21.897 -3.242 5 1HB MET 1 HB2 MET 1 -7.843 23.865 -3.931 6 2HB MET 1 HB1 MET 1 -8.275 22.554 -5.019 7 1HG MET 1 HG2 MET 1 -9.585 22.439 -2.996 8 2HG MET 1 HG1 MET 1 -8.509 21.048 -3.106 9 1HE MET 1 HE1 MET 1 -7.921 20.550 0.016 10 2HE MET 1 HE2 MET 1 -9.401 20.720 -0.924 11 3HE MET 1 HE3 MET 1 -9.155 21.707 0.511 12 H GLN 2 HN GLN 2 -5.817 19.901 -4.043 13 HA GLN 2 HA GLN 2 -5.684 19.596 -6.973 14 1HB GLN 2 HB2 GLN 2 -4.339 17.682 -5.099 15 2HB GLN 2 HB1 GLN 2 -3.942 18.068 -6.768 16 1HG GLN 2 HG2 GLN 2 -3.603 20.045 -4.538 17 2HG GLN 2 HG1 GLN 2 -2.347 18.892 -4.986 18 1HE2 GLN 2 HE21 GLN 2 -1.099 19.290 -6.722 19 2HE2 GLN 2 HE22 GLN 2 -1.250 20.679 -7.738 20 H ASP 3 HN ASP 3 -5.908 17.086 -7.482 21 HA ASP 3 HA ASP 3 -8.166 16.005 -5.955 22 1HB ASP 3 HB2 ASP 3 -8.287 17.057 -8.591 23 2HB ASP 3 HB1 ASP 3 -8.525 15.319 -8.685 24 HA PRO 4 HA PRO 4 -4.766 12.876 -6.744 25 1HB PRO 4 HB2 PRO 4 -5.154 12.337 -3.877 26 2HB PRO 4 HB1 PRO 4 -3.665 12.671 -4.760 27 1HG PRO 4 HG2 PRO 4 -4.722 14.463 -3.067 28 2HG PRO 4 HG1 PRO 4 -3.897 14.961 -4.556 29 1HD PRO 4 HD2 PRO 4 -6.835 14.757 -3.999 30 2HD PRO 4 HD1 PRO 4 -5.939 16.025 -4.863 31 H THR 5 HN THR 5 -5.499 10.996 -7.560 32 HA THR 5 HA THR 5 -7.755 9.718 -6.164 33 HB THR 5 HB THR 5 -7.428 8.922 -8.956 34 HG1 THR 5 HG1 THR 5 -8.036 11.620 -8.329 35 1HG2 THR 5 HG21 THR 5 -9.808 9.344 -9.071 36 2HG2 THR 5 HG22 THR 5 -9.771 10.095 -7.476 37 3HG2 THR 5 HG23 THR 5 -9.416 8.376 -7.651 38 H ILE 6 HN ILE 6 -7.687 7.538 -5.783 39 HA ILE 6 HA ILE 6 -5.413 5.995 -6.772 40 HB ILE 6 HB ILE 6 -4.661 6.972 -4.638 41 1HG1 ILE 6 HG12 ILE 6 -3.947 4.874 -3.586 42 2HG1 ILE 6 HG11 ILE 6 -5.183 3.995 -4.481 43 1HG2 ILE 6 HG21 ILE 6 -7.058 5.525 -3.530 44 2HG2 ILE 6 HG22 ILE 6 -6.731 7.258 -3.482 45 3HG2 ILE 6 HG23 ILE 6 -5.739 6.147 -2.537 46 1HD1 ILE 6 HD11 ILE 6 -2.790 5.405 -5.621 47 2HD1 ILE 6 HD12 ILE 6 -4.063 4.658 -6.583 48 3HD1 ILE 6 HD13 ILE 6 -3.058 3.668 -5.525 49 H ASN 7 HN ASN 7 -5.645 3.685 -6.395 50 HA ASN 7 HA ASN 7 -8.313 2.851 -6.785 51 1HB ASN 7 HB2 ASN 7 -6.829 0.539 -6.248 52 2HB ASN 7 HB1 ASN 7 -7.368 1.141 -7.797 53 1HD2 ASN 7 HD21 ASN 7 -4.858 2.343 -5.548 54 2HD2 ASN 7 HD22 ASN 7 -3.587 2.264 -6.703 55 HA PRO 8 HA PRO 8 -8.911 1.230 -2.772 56 1HB PRO 8 HB2 PRO 8 -7.382 -0.588 -1.707 57 2HB PRO 8 HB1 PRO 8 -8.115 -0.894 -3.260 58 1HG PRO 8 HG2 PRO 8 -5.291 -0.305 -2.582 59 2HG PRO 8 HG1 PRO 8 -5.953 -1.184 -3.972 60 1HD PRO 8 HD2 PRO 8 -5.191 1.600 -3.799 61 2HD PRO 8 HD1 PRO 8 -5.752 0.689 -5.211 62 H THR 9 HN THR 9 -8.387 0.907 -0.323 63 HA THR 9 HA THR 9 -6.281 2.709 0.583 64 HB THR 9 HB THR 9 -9.209 2.979 1.264 65 HG1 THR 9 HG1 THR 9 -9.117 4.698 0.063 66 1HG2 THR 9 HG21 THR 9 -8.035 5.088 2.482 67 2HG2 THR 9 HG22 THR 9 -6.858 3.812 2.795 68 3HG2 THR 9 HG23 THR 9 -8.536 3.608 3.299 69 H SER 10 HN SER 10 -7.631 -0.260 0.798 70 HA SER 10 HA SER 10 -6.261 -0.879 3.210 71 1HB SER 10 HB2 SER 10 -7.939 -1.132 4.762 72 2HB SER 10 HB1 SER 10 -8.557 0.248 3.861 73 HG SER 10 HG SER 10 -10.031 -1.005 2.897 74 H ILE 11 HN ILE 11 -5.523 -2.845 2.950 75 HA ILE 11 HA ILE 11 -7.200 -4.877 1.654 76 HB ILE 11 HB ILE 11 -5.267 -5.790 0.503 77 1HG1 ILE 11 HG12 ILE 11 -3.226 -4.087 0.454 78 2HG1 ILE 11 HG11 ILE 11 -3.834 -3.690 2.059 79 1HG2 ILE 11 HG21 ILE 11 -6.492 -3.305 -0.078 80 2HG2 ILE 11 HG22 ILE 11 -5.823 -4.490 -1.197 81 3HG2 ILE 11 HG23 ILE 11 -4.799 -3.202 -0.562 82 1HD1 ILE 11 HD11 ILE 11 -3.734 -6.504 1.865 83 2HD1 ILE 11 HD12 ILE 11 -2.759 -5.434 2.875 84 3HD1 ILE 11 HD13 ILE 11 -2.205 -5.868 1.258 85 H SER 12 HN SER 12 -6.228 -7.141 2.103 86 HA SER 12 HA SER 12 -4.690 -7.323 4.548 87 1HB SER 12 HB2 SER 12 -6.987 -8.964 4.984 88 2HB SER 12 HB1 SER 12 -6.374 -7.651 5.977 89 HG SER 12 HG SER 12 -8.335 -7.603 3.975 90 H ALA 13 HN ALA 13 -3.595 -9.187 4.730 91 HA ALA 13 HA ALA 13 -4.365 -11.649 3.568 92 1HB ALA 13 HB1 ALA 13 -1.941 -11.094 2.159 93 2HB ALA 13 HB2 ALA 13 -3.137 -9.856 1.775 94 3HB ALA 13 HB3 ALA 13 -3.516 -11.558 1.519 95 H LYS 14 HN LYS 14 -3.034 -13.354 4.235 96 HA LYS 14 HA LYS 14 -1.404 -12.811 6.517 97 1HB LYS 14 HB2 LYS 14 -2.589 -14.874 6.527 98 2HB LYS 14 HB1 LYS 14 -1.979 -15.320 4.941 99 1HG LYS 14 HG2 LYS 14 -0.009 -14.912 7.116 100 2HG LYS 14 HG1 LYS 14 -1.009 -16.361 7.165 101 1HD LYS 14 HD2 LYS 14 0.337 -15.624 4.611 102 2HD LYS 14 HD1 LYS 14 1.291 -16.358 5.903 103 1HE LYS 14 HE2 LYS 14 -1.220 -17.738 5.469 104 2HE LYS 14 HE1 LYS 14 -0.226 -17.692 4.013 105 1HZ LYS 14 HZ1 LYS 14 0.055 -19.358 6.224 106 2HZ LYS 14 HZ2 LYS 14 1.392 -18.321 6.223 107 3HZ LYS 14 HZ3 LYS 14 1.053 -19.265 4.861 108 H ALA 15 HN ALA 15 0.832 -12.804 6.697 109 HA ALA 15 HA ALA 15 2.287 -11.960 4.507 110 1HB ALA 15 HB1 ALA 15 3.983 -13.338 6.424 111 2HB ALA 15 HB2 ALA 15 2.831 -12.256 7.204 112 3HB ALA 15 HB3 ALA 15 3.940 -11.629 5.980 113 H GLY 16 HN GLY 16 2.371 -12.972 2.751 114 1HA GLY 16 HA2 GLY 16 3.888 -14.721 1.690 115 2HA GLY 16 HA1 GLY 16 2.975 -15.848 2.696 116 H SER 17 HN SER 17 0.469 -14.680 2.542 117 HA SER 17 HA SER 17 -0.392 -15.557 -0.059 118 1HB SER 17 HB2 SER 17 -2.547 -14.439 1.231 119 2HB SER 17 HB1 SER 17 -2.081 -16.129 1.338 120 HG SER 17 HG SER 17 -1.061 -15.713 3.245 121 H PHE 18 HN PHE 18 1.294 -13.128 0.443 122 HA PHE 18 HA PHE 18 -0.446 -10.964 -0.394 123 1HB PHE 18 HB2 PHE 18 2.199 -11.252 0.849 124 2HB PHE 18 HB1 PHE 18 1.951 -9.840 -0.144 125 HD1 PHE 18 HD1 PHE 18 2.278 -10.398 3.004 126 HD2 PHE 18 HD2 PHE 18 -0.900 -9.270 0.413 127 HE1 PHE 18 HE1 PHE 18 1.140 -9.297 4.884 128 HE2 PHE 18 HE2 PHE 18 -2.043 -8.167 2.293 129 HZ PHE 18 HZ PHE 18 -1.017 -8.181 4.533 130 H ALA 19 HN ALA 19 -0.743 -11.959 -2.498 131 HA ALA 19 HA ALA 19 1.420 -12.200 -4.336 132 1HB ALA 19 HB1 ALA 19 -0.690 -11.905 -5.974 133 2HB ALA 19 HB2 ALA 19 -1.522 -12.347 -4.482 134 3HB ALA 19 HB3 ALA 19 -0.297 -13.419 -5.161 135 H ASP 20 HN ASP 20 2.156 -10.766 -5.897 136 HA ASP 20 HA ASP 20 2.529 -8.167 -5.425 137 1HB ASP 20 HB2 ASP 20 3.529 -9.248 -7.350 138 2HB ASP 20 HB1 ASP 20 1.959 -9.364 -8.139 139 H THR 21 HN THR 21 1.447 -6.259 -5.410 140 HA THR 21 HA THR 21 -1.320 -6.296 -6.426 141 HB THR 21 HB THR 21 -0.447 -4.781 -3.970 142 HG1 THR 21 HG1 THR 21 -1.872 -7.216 -3.945 143 1HG2 THR 21 HG21 THR 21 -2.891 -4.939 -3.444 144 2HG2 THR 21 HG22 THR 21 -3.134 -5.507 -5.096 145 3HG2 THR 21 HG23 THR 21 -2.473 -3.897 -4.804 146 H LYS 22 HN LYS 22 -1.186 -5.077 -8.230 147 HA LYS 22 HA LYS 22 0.539 -2.868 -8.518 148 1HB LYS 22 HB2 LYS 22 -0.959 -4.446 -10.223 149 2HB LYS 22 HB1 LYS 22 -1.764 -2.885 -10.299 150 1HG LYS 22 HG2 LYS 22 -0.251 -2.582 -11.954 151 2HG LYS 22 HG1 LYS 22 0.723 -2.037 -10.593 152 1HD LYS 22 HD2 LYS 22 2.165 -3.493 -11.661 153 2HD LYS 22 HD1 LYS 22 1.427 -4.541 -10.448 154 1HE LYS 22 HE2 LYS 22 0.320 -4.301 -13.229 155 2HE LYS 22 HE1 LYS 22 1.609 -5.437 -12.836 156 1HZ LYS 22 HZ1 LYS 22 -1.198 -5.455 -12.010 157 2HZ LYS 22 HZ2 LYS 22 -0.051 -6.107 -10.950 158 3HZ LYS 22 HZ3 LYS 22 -0.215 -6.737 -12.511 159 H ILE 23 HN ILE 23 -0.280 -0.706 -9.110 160 HA ILE 23 HA ILE 23 -2.771 0.133 -7.958 161 HB ILE 23 HB ILE 23 -0.270 0.373 -6.511 162 1HG1 ILE 23 HG12 ILE 23 -3.193 0.322 -6.011 163 2HG1 ILE 23 HG11 ILE 23 -1.926 -0.675 -5.327 164 1HG2 ILE 23 HG21 ILE 23 -0.770 2.629 -5.593 165 2HG2 ILE 23 HG22 ILE 23 -1.959 2.839 -6.877 166 3HG2 ILE 23 HG23 ILE 23 -0.257 2.644 -7.280 167 1HD1 ILE 23 HD11 ILE 23 -3.130 0.940 -3.777 168 2HD1 ILE 23 HD12 ILE 23 -2.206 2.208 -4.580 169 3HD1 ILE 23 HD13 ILE 23 -1.368 0.915 -3.724 170 H THR 24 HN THR 24 -3.409 2.218 -8.573 171 HA THR 24 HA THR 24 -1.645 3.554 -10.515 172 HB THR 24 HB THR 24 -4.653 3.430 -10.735 173 HG1 THR 24 HG1 THR 24 -2.771 1.883 -12.178 174 1HG2 THR 24 HG21 THR 24 -3.110 3.750 -13.165 175 2HG2 THR 24 HG22 THR 24 -2.865 5.070 -12.022 176 3HG2 THR 24 HG23 THR 24 -4.494 4.667 -12.568 177 H LEU 25 HN LEU 25 -0.968 5.312 -9.448 178 HA LEU 25 HA LEU 25 -2.758 6.773 -7.687 179 1HB LEU 25 HB2 LEU 25 0.092 6.467 -8.068 180 2HB LEU 25 HB1 LEU 25 -0.359 8.151 -7.923 181 HG LEU 25 HG LEU 25 -1.108 6.014 -5.930 182 1HD1 LEU 25 HD11 LEU 25 0.952 6.168 -5.134 183 2HD1 LEU 25 HD12 LEU 25 0.658 7.875 -4.799 184 3HD1 LEU 25 HD13 LEU 25 1.369 7.388 -6.337 185 1HD2 LEU 25 HD21 LEU 25 -1.167 8.539 -4.760 186 2HD2 LEU 25 HD22 LEU 25 -2.552 7.546 -5.214 187 3HD2 LEU 25 HD23 LEU 25 -1.927 8.754 -6.336 188 H THR 26 HN THR 26 -4.225 7.919 -8.857 189 HA THR 26 HA THR 26 -3.622 9.223 -11.306 190 HB THR 26 HB THR 26 -5.897 9.987 -9.500 191 HG1 THR 26 HG1 THR 26 -5.794 7.734 -11.218 192 1HG2 THR 26 HG21 THR 26 -6.438 9.523 -12.311 193 2HG2 THR 26 HG22 THR 26 -5.257 10.802 -12.036 194 3HG2 THR 26 HG23 THR 26 -6.849 10.898 -11.285 195 HA PRO 27 HA PRO 27 -1.733 12.788 -9.279 196 1HB PRO 27 HB2 PRO 27 -0.074 13.399 -11.206 197 2HB PRO 27 HB1 PRO 27 0.098 11.836 -10.396 198 1HG PRO 27 HG2 PRO 27 -1.248 12.444 -13.006 199 2HG PRO 27 HG1 PRO 27 -0.050 11.193 -12.648 200 1HD PRO 27 HD2 PRO 27 -2.766 10.764 -12.655 201 2HD PRO 27 HD1 PRO 27 -1.605 9.788 -11.734 202 H ASN 28 HN ASN 28 -3.960 12.600 -11.630 203 HA ASN 28 HA ASN 28 -4.128 14.594 -13.271 204 1HB ASN 28 HB2 ASN 28 -5.945 12.826 -12.236 205 2HB ASN 28 HB1 ASN 28 -6.626 14.380 -11.761 206 1HD2 ASN 28 HD21 ASN 28 -4.894 13.209 -14.629 207 2HD2 ASN 28 HD22 ASN 28 -6.083 13.732 -15.770 208 H GLY 29 HN GLY 29 -2.718 15.981 -12.023 209 1HA GLY 29 HA2 GLY 29 -2.918 18.405 -11.645 210 2HA GLY 29 HA1 GLY 29 -4.275 18.045 -10.591 211 H ASN 30 HN ASN 30 -2.840 15.722 -9.486 212 HA ASN 30 HA ASN 30 -1.134 17.172 -7.589 213 1HB ASN 30 HB2 ASN 30 -1.767 14.445 -6.841 214 2HB ASN 30 HB1 ASN 30 -2.076 15.938 -5.967 215 1HD2 ASN 30 HD21 ASN 30 -3.302 13.935 -8.614 216 2HD2 ASN 30 HD22 ASN 30 -4.965 14.328 -8.370 217 H THR 31 HN THR 31 0.622 15.776 -6.612 218 HA THR 31 HA THR 31 1.902 14.109 -8.667 219 HB THR 31 HB THR 31 3.052 16.208 -8.742 220 HG1 THR 31 HG1 THR 31 4.789 15.060 -8.798 221 1HG2 THR 31 HG21 THR 31 2.634 17.430 -6.855 222 2HG2 THR 31 HG22 THR 31 4.289 16.900 -6.556 223 3HG2 THR 31 HG23 THR 31 2.942 16.072 -5.774 224 H PHE 32 HN PHE 32 3.485 12.592 -7.823 225 HA PHE 32 HA PHE 32 2.824 11.750 -5.080 226 1HB PHE 32 HB2 PHE 32 2.134 10.179 -6.883 227 2HB PHE 32 HB1 PHE 32 3.817 10.035 -7.368 228 HD1 PHE 32 HD1 PHE 32 3.906 7.666 -7.027 229 HD2 PHE 32 HD2 PHE 32 2.821 10.275 -3.848 230 HE1 PHE 32 HE1 PHE 32 4.222 5.831 -5.420 231 HE2 PHE 32 HE2 PHE 32 3.140 8.448 -2.239 232 HZ PHE 32 HZ PHE 32 3.839 6.221 -3.022 233 H ASN 33 HN ASN 33 4.433 11.281 -3.649 234 HA ASN 33 HA ASN 33 7.162 11.965 -4.503 235 1HB ASN 33 HB2 ASN 33 5.700 13.040 -2.455 236 2HB ASN 33 HB1 ASN 33 6.619 11.795 -1.612 237 1HD2 ASN 33 HD21 ASN 33 6.731 14.815 -3.259 238 2HD2 ASN 33 HD22 ASN 33 8.392 15.170 -2.945 239 H GLY 34 HN GLY 34 5.231 9.619 -2.715 240 1HA GLY 34 HA2 GLY 34 6.227 7.290 -3.322 241 2HA GLY 34 HA1 GLY 34 7.589 7.901 -2.396 242 H ILE 35 HN ILE 35 6.365 5.584 -1.632 243 HA ILE 35 HA ILE 35 4.602 6.285 0.597 244 HB ILE 35 HB ILE 35 5.325 3.473 0.018 245 1HG1 ILE 35 HG12 ILE 35 3.294 4.941 -1.658 246 2HG1 ILE 35 HG11 ILE 35 4.913 4.543 -2.216 247 1HG2 ILE 35 HG21 ILE 35 2.529 4.017 0.307 248 2HG2 ILE 35 HG22 ILE 35 3.437 4.836 1.577 249 3HG2 ILE 35 HG23 ILE 35 3.601 3.094 1.362 250 1HD1 ILE 35 HD11 ILE 35 4.449 2.300 -2.365 251 2HD1 ILE 35 HD12 ILE 35 2.904 3.015 -2.814 252 3HD1 ILE 35 HD13 ILE 35 3.142 2.383 -1.186 253 H SER 36 HN SER 36 6.156 7.141 1.996 254 HA SER 36 HA SER 36 8.591 5.848 2.667 255 1HB SER 36 HB2 SER 36 6.990 8.093 3.798 256 2HB SER 36 HB1 SER 36 8.165 7.329 4.867 257 HG SER 36 HG SER 36 8.812 9.181 3.380 258 H GLU 37 HN GLU 37 5.322 5.385 3.698 259 HA GLU 37 HA GLU 37 5.690 4.157 6.157 260 1HB GLU 37 HB2 GLU 37 3.560 4.636 4.570 261 2HB GLU 37 HB1 GLU 37 3.763 2.919 4.276 262 1HG GLU 37 HG2 GLU 37 3.097 2.344 6.358 263 2HG GLU 37 HG1 GLU 37 3.805 3.780 7.097 264 H LEU 38 HN LEU 38 6.449 3.183 2.942 265 HA LEU 38 HA LEU 38 7.807 0.822 3.940 266 1HB LEU 38 HB2 LEU 38 6.864 -0.111 1.559 267 2HB LEU 38 HB1 LEU 38 6.214 -0.519 3.131 268 HG LEU 38 HG LEU 38 5.130 1.875 1.735 269 1HD1 LEU 38 HD11 LEU 38 4.403 0.741 -0.021 270 2HD1 LEU 38 HD12 LEU 38 3.515 -0.325 1.058 271 3HD1 LEU 38 HD13 LEU 38 5.160 -0.728 0.579 272 1HD2 LEU 38 HD21 LEU 38 3.284 1.527 3.060 273 2HD2 LEU 38 HD22 LEU 38 4.563 0.921 4.108 274 3HD2 LEU 38 HD23 LEU 38 3.568 -0.201 3.189 275 H GLN 39 HN GLN 39 9.700 1.954 3.577 276 HA GLN 39 HA GLN 39 10.688 3.516 1.770 277 1HB GLN 39 HB2 GLN 39 12.047 2.557 3.551 278 2HB GLN 39 HB1 GLN 39 12.085 1.013 2.714 279 1HG GLN 39 HG2 GLN 39 13.667 1.684 1.261 280 2HG GLN 39 HG1 GLN 39 13.040 3.330 1.170 281 1HE2 GLN 39 HE21 GLN 39 14.920 4.408 1.478 282 2HE2 GLN 39 HE22 GLN 39 15.847 4.340 2.933 283 H SER 40 HN SER 40 9.800 3.447 -0.021 284 HA SER 40 HA SER 40 8.923 2.457 -2.036 285 1HB SER 40 HB2 SER 40 11.585 2.918 -3.110 286 2HB SER 40 HB1 SER 40 10.088 3.805 -3.390 287 HG SER 40 HG SER 40 12.165 4.387 -1.734 288 H SER 41 HN SER 41 12.070 1.151 -1.177 289 HA SER 41 HA SER 41 12.338 -0.768 -3.140 290 1HB SER 41 HB2 SER 41 13.589 -0.194 -0.672 291 2HB SER 41 HB1 SER 41 13.165 -1.904 -0.626 292 HG SER 41 HG SER 41 14.134 -1.829 -2.889 293 H GLN 42 HN GLN 42 10.052 -0.652 -0.578 294 HA GLN 42 HA GLN 42 9.438 -3.381 -0.330 295 1HB GLN 42 HB2 GLN 42 7.493 -1.139 0.080 296 2HB GLN 42 HB1 GLN 42 7.652 -2.634 0.959 297 1HG GLN 42 HG2 GLN 42 9.336 -0.199 1.154 298 2HG GLN 42 HG1 GLN 42 8.446 -1.026 2.423 299 1HE2 GLN 42 HE21 GLN 42 9.258 -3.016 3.218 300 2HE2 GLN 42 HE22 GLN 42 10.936 -3.406 3.077 301 H TYR 43 HN TYR 43 8.539 -0.961 -2.602 302 HA TYR 43 HA TYR 43 6.857 -2.890 -4.044 303 1HB TYR 43 HB2 TYR 43 5.496 -0.789 -4.730 304 2HB TYR 43 HB1 TYR 43 5.202 -1.524 -3.161 305 HD1 TYR 43 HD1 TYR 43 6.623 1.360 -4.910 306 HD2 TYR 43 HD2 TYR 43 5.851 -0.405 -1.123 307 HE1 TYR 43 HE1 TYR 43 7.087 3.513 -3.817 308 HE2 TYR 43 HE2 TYR 43 6.305 1.736 -0.019 309 HH TYR 43 HH TYR 43 7.468 3.797 -0.418 310 H THR 44 HN THR 44 6.222 -1.538 -6.196 311 HA THR 44 HA THR 44 8.724 -0.661 -7.436 312 HB THR 44 HB THR 44 6.609 -2.446 -8.655 313 HG1 THR 44 HG1 THR 44 8.247 -3.992 -8.647 314 1HG2 THR 44 HG21 THR 44 8.676 -0.838 -9.888 315 2HG2 THR 44 HG22 THR 44 7.320 -1.701 -10.618 316 3HG2 THR 44 HG23 THR 44 8.826 -2.552 -10.269 317 H LYS 45 HN LYS 45 8.116 1.440 -7.167 318 HA LYS 45 HA LYS 45 5.622 2.525 -7.858 319 1HB LYS 45 HB2 LYS 45 7.114 4.674 -7.958 320 2HB LYS 45 HB1 LYS 45 6.769 3.908 -6.429 321 1HG LYS 45 HG2 LYS 45 9.188 3.004 -7.857 322 2HG LYS 45 HG1 LYS 45 9.217 4.644 -7.207 323 1HD LYS 45 HD2 LYS 45 9.047 3.918 -5.022 324 2HD LYS 45 HD1 LYS 45 8.291 2.392 -5.478 325 1HE LYS 45 HE2 LYS 45 10.862 2.486 -6.672 326 2HE LYS 45 HE1 LYS 45 11.038 2.939 -4.976 327 1HZ LYS 45 HZ1 LYS 45 9.510 0.864 -4.637 328 2HZ LYS 45 HZ2 LYS 45 11.179 0.680 -4.838 329 3HZ LYS 45 HZ3 LYS 45 10.135 0.405 -6.142 330 H GLY 46 HN GLY 46 5.434 4.326 -9.450 331 1HA GLY 46 HA2 GLY 46 7.024 4.267 -11.824 332 2HA GLY 46 HA1 GLY 46 5.485 3.441 -12.033 333 H THR 47 HN THR 47 6.826 6.483 -10.787 334 HA THR 47 HA THR 47 5.578 8.479 -10.442 335 HB THR 47 HB THR 47 7.240 8.715 -12.244 336 HG1 THR 47 HG1 THR 47 4.875 10.109 -12.927 337 1HG2 THR 47 HG21 THR 47 5.136 8.539 -14.325 338 2HG2 THR 47 HG22 THR 47 5.885 7.045 -13.761 339 3HG2 THR 47 HG23 THR 47 6.882 8.327 -14.453 340 H ASN 48 HN ASN 48 3.507 8.294 -9.780 341 HA ASN 48 HA ASN 48 1.267 8.802 -10.049 342 1HB ASN 48 HB2 ASN 48 1.403 7.923 -12.930 343 2HB ASN 48 HB1 ASN 48 0.188 8.934 -12.158 344 1HD2 ASN 48 HD21 ASN 48 1.373 9.742 -14.465 345 2HD2 ASN 48 HD22 ASN 48 2.411 11.088 -14.155 346 H GLU 49 HN GLU 49 2.936 5.969 -10.672 347 HA GLU 49 HA GLU 49 0.622 4.390 -9.851 348 1HB GLU 49 HB2 GLU 49 2.154 4.070 -12.375 349 2HB GLU 49 HB1 GLU 49 1.686 2.607 -11.528 350 1HG GLU 49 HG2 GLU 49 -0.481 2.841 -12.044 351 2HG GLU 49 HG1 GLU 49 -0.443 4.597 -11.876 352 H VAL 50 HN VAL 50 1.283 2.168 -9.165 353 HA VAL 50 HA VAL 50 4.029 1.671 -8.545 354 HB VAL 50 HB VAL 50 3.618 3.278 -6.782 355 1HG1 VAL 50 HG11 VAL 50 1.932 2.561 -4.969 356 2HG1 VAL 50 HG12 VAL 50 1.215 1.580 -6.247 357 3HG1 VAL 50 HG13 VAL 50 1.322 3.329 -6.434 358 1HG2 VAL 50 HG21 VAL 50 4.388 2.006 -4.946 359 2HG2 VAL 50 HG22 VAL 50 4.972 1.173 -6.388 360 3HG2 VAL 50 HG23 VAL 50 3.570 0.551 -5.516 361 H THR 51 HN THR 51 4.365 -0.388 -7.533 362 HA THR 51 HA THR 51 1.992 -2.109 -7.417 363 HB THR 51 HB THR 51 4.511 -2.694 -8.975 364 HG1 THR 51 HG1 THR 51 3.206 -1.485 -10.231 365 1HG2 THR 51 HG21 THR 51 3.702 -4.733 -7.924 366 2HG2 THR 51 HG22 THR 51 3.447 -4.762 -9.671 367 3HG2 THR 51 HG23 THR 51 2.095 -4.441 -8.588 368 H LEU 52 HN LEU 52 1.955 -3.097 -5.520 369 HA LEU 52 HA LEU 52 4.193 -3.216 -3.762 370 1HB LEU 52 HB2 LEU 52 1.404 -4.296 -3.745 371 2HB LEU 52 HB1 LEU 52 2.562 -4.924 -2.594 372 HG LEU 52 HG LEU 52 2.204 -1.991 -2.821 373 1HD1 LEU 52 HD11 LEU 52 -0.053 -2.578 -2.639 374 2HD1 LEU 52 HD12 LEU 52 0.456 -2.225 -0.990 375 3HD1 LEU 52 HD13 LEU 52 0.293 -3.898 -1.524 376 1HD2 LEU 52 HD21 LEU 52 3.237 -1.905 -0.818 377 2HD2 LEU 52 HD22 LEU 52 3.856 -3.475 -1.329 378 3HD2 LEU 52 HD23 LEU 52 2.470 -3.385 -0.242 379 H LEU 53 HN LEU 53 5.602 -4.900 -3.351 380 HA LEU 53 HA LEU 53 5.258 -7.179 -5.147 381 1HB LEU 53 HB2 LEU 53 7.869 -7.310 -4.149 382 2HB LEU 53 HB1 LEU 53 7.363 -6.872 -5.768 383 HG LEU 53 HG LEU 53 7.327 -4.726 -3.734 384 1HD1 LEU 53 HD11 LEU 53 9.792 -4.338 -4.274 385 2HD1 LEU 53 HD12 LEU 53 9.823 -6.036 -4.753 386 3HD1 LEU 53 HD13 LEU 53 9.402 -5.594 -3.098 387 1HD2 LEU 53 HD21 LEU 53 6.772 -3.829 -5.736 388 2HD2 LEU 53 HD22 LEU 53 7.661 -5.046 -6.651 389 3HD2 LEU 53 HD23 LEU 53 8.523 -3.709 -5.891 390 H ALA 54 HN ALA 54 4.761 -9.040 -4.365 391 HA ALA 54 HA ALA 54 4.063 -9.699 -1.848 392 1HB ALA 54 HB1 ALA 54 3.712 -11.099 -3.853 393 2HB ALA 54 HB2 ALA 54 4.267 -12.016 -2.454 394 3HB ALA 54 HB3 ALA 54 5.394 -11.615 -3.751 395 H SER 55 HN SER 55 7.292 -9.147 -2.842 396 HA SER 55 HA SER 55 8.599 -10.848 -0.967 397 1HB SER 55 HB2 SER 55 10.599 -9.408 -1.451 398 2HB SER 55 HB1 SER 55 9.833 -10.072 -2.893 399 HG SER 55 HG SER 55 10.291 -7.529 -2.312 400 H TYR 56 HN TYR 56 7.764 -7.418 -0.984 401 HA TYR 56 HA TYR 56 8.816 -6.824 1.570 402 1HB TYR 56 HB2 TYR 56 8.525 -4.906 0.384 403 2HB TYR 56 HB1 TYR 56 7.152 -5.524 -0.492 404 HD1 TYR 56 HD1 TYR 56 5.509 -3.916 -0.315 405 HD2 TYR 56 HD2 TYR 56 7.625 -5.076 3.183 406 HE1 TYR 56 HE1 TYR 56 3.994 -2.542 1.044 407 HE2 TYR 56 HE2 TYR 56 6.112 -3.705 4.555 408 HH TYR 56 HH TYR 56 3.284 -2.742 3.768 409 H LEU 57 HN LEU 57 5.523 -7.089 0.396 410 HA LEU 57 HA LEU 57 4.215 -6.994 2.850 411 1HB LEU 57 HB2 LEU 57 2.749 -8.788 1.230 412 2HB LEU 57 HB1 LEU 57 2.416 -7.100 1.555 413 HG LEU 57 HG LEU 57 4.214 -8.071 -0.651 414 1HD1 LEU 57 HD11 LEU 57 1.323 -7.948 -0.476 415 2HD1 LEU 57 HD12 LEU 57 2.349 -8.643 -1.731 416 3HD1 LEU 57 HD13 LEU 57 1.947 -6.928 -1.769 417 1HD2 LEU 57 HD21 LEU 57 2.925 -5.431 -0.751 418 2HD2 LEU 57 HD22 LEU 57 4.569 -5.909 -1.179 419 3HD2 LEU 57 HD23 LEU 57 4.140 -5.627 0.504 420 H ASN 58 HN ASN 58 5.606 -9.753 1.157 421 HA ASN 58 HA ASN 58 4.589 -11.715 2.899 422 1HB ASN 58 HB2 ASN 58 5.449 -12.401 0.759 423 2HB ASN 58 HB1 ASN 58 7.037 -11.737 1.129 424 1HD2 ASN 58 HD21 ASN 58 8.364 -13.404 1.238 425 2HD2 ASN 58 HD22 ASN 58 8.110 -14.837 2.174 426 H THR 59 HN THR 59 7.259 -9.523 3.088 427 HA THR 59 HA THR 59 8.537 -10.909 5.274 428 HB THR 59 HB THR 59 9.089 -8.227 4.003 429 HG1 THR 59 HG1 THR 59 10.536 -9.269 2.834 430 1HG2 THR 59 HG21 THR 59 9.861 -8.416 6.395 431 2HG2 THR 59 HG22 THR 59 11.108 -8.078 5.194 432 3HG2 THR 59 HG23 THR 59 10.931 -9.705 5.849 433 H LEU 60 HN LEU 60 6.231 -8.369 4.839 434 HA LEU 60 HA LEU 60 6.391 -6.827 7.061 435 1HB LEU 60 HB2 LEU 60 4.146 -7.864 5.459 436 2HB LEU 60 HB1 LEU 60 3.716 -7.266 7.050 437 HG LEU 60 HG LEU 60 5.402 -5.560 5.269 438 1HD1 LEU 60 HD11 LEU 60 2.547 -5.039 5.062 439 2HD1 LEU 60 HD12 LEU 60 3.029 -6.570 4.331 440 3HD1 LEU 60 HD13 LEU 60 3.789 -5.068 3.809 441 1HD2 LEU 60 HD21 LEU 60 5.124 -4.188 6.989 442 2HD2 LEU 60 HD22 LEU 60 4.015 -5.318 7.766 443 3HD2 LEU 60 HD23 LEU 60 3.402 -4.134 6.615 444 HA PRO 61 HA PRO 61 6.386 -9.288 10.717 445 1HB PRO 61 HB2 PRO 61 4.527 -7.183 11.729 446 2HB PRO 61 HB1 PRO 61 6.000 -7.831 12.460 447 1HG PRO 61 HG2 PRO 61 6.013 -5.447 11.281 448 2HG PRO 61 HG1 PRO 61 7.390 -6.550 11.116 449 1HD PRO 61 HD2 PRO 61 5.263 -5.864 9.144 450 2HD PRO 61 HD1 PRO 61 6.973 -6.259 8.873 451 H GLU 62 HN GLU 62 4.750 -10.102 12.398 452 HA GLU 62 HA GLU 62 2.830 -11.689 11.153 453 1HB GLU 62 HB2 GLU 62 2.204 -12.414 13.303 454 2HB GLU 62 HB1 GLU 62 3.910 -12.014 13.435 455 1HG GLU 62 HG2 GLU 62 3.343 -10.825 15.218 456 2HG GLU 62 HG1 GLU 62 2.677 -9.649 14.087 457 H ASN 63 HN ASN 63 0.586 -11.524 12.693 458 HA ASN 63 HA ASN 63 -1.176 -10.194 11.288 459 1HB ASN 63 HB2 ASN 63 -1.418 -11.655 13.463 460 2HB ASN 63 HB1 ASN 63 -1.600 -10.079 14.233 461 1HD2 ASN 63 HD21 ASN 63 -3.092 -8.605 12.745 462 2HD2 ASN 63 HD22 ASN 63 -4.609 -9.334 12.363 463 H THR 64 HN THR 64 0.130 -8.275 10.672 464 HA THR 64 HA THR 64 -0.296 -6.035 12.548 465 HB THR 64 HB THR 64 1.542 -4.900 11.239 466 HG1 THR 64 HG1 THR 64 2.131 -7.516 10.344 467 1HG2 THR 64 HG21 THR 64 1.864 -6.167 13.441 468 2HG2 THR 64 HG22 THR 64 3.286 -5.811 12.463 469 3HG2 THR 64 HG23 THR 64 2.583 -7.429 12.445 470 H THR 65 HN THR 65 -0.606 -3.902 11.460 471 HA THR 65 HA THR 65 -2.145 -4.198 8.967 472 HB THR 65 HB THR 65 -2.848 -2.097 10.937 473 HG1 THR 65 HG1 THR 65 -3.568 -4.824 11.164 474 1HG2 THR 65 HG21 THR 65 -5.129 -3.369 9.970 475 2HG2 THR 65 HG22 THR 65 -4.035 -3.232 8.592 476 3HG2 THR 65 HG23 THR 65 -4.495 -1.790 9.499 477 H LYS 66 HN LYS 66 0.000 -3.588 8.067 478 HA LYS 66 HA LYS 66 1.109 -1.032 8.489 479 1HB LYS 66 HB2 LYS 66 1.698 -3.348 6.993 480 2HB LYS 66 HB1 LYS 66 1.640 -2.006 5.861 481 1HG LYS 66 HG2 LYS 66 3.080 -0.921 7.888 482 2HG LYS 66 HG1 LYS 66 3.576 -2.613 7.969 483 1HD LYS 66 HD2 LYS 66 4.362 -2.596 5.763 484 2HD LYS 66 HD1 LYS 66 3.522 -1.096 5.386 485 1HE LYS 66 HE2 LYS 66 5.025 0.175 6.721 486 2HE LYS 66 HE1 LYS 66 5.734 -1.277 7.419 487 1HZ LYS 66 HZ1 LYS 66 6.364 0.057 4.968 488 2HZ LYS 66 HZ2 LYS 66 6.097 -1.593 4.742 489 3HZ LYS 66 HZ3 LYS 66 7.269 -1.071 5.842 490 H THR 67 HN THR 67 1.402 0.364 6.404 491 HA THR 67 HA THR 67 -1.112 0.702 4.980 492 HB THR 67 HB THR 67 -0.020 2.633 6.996 493 HG1 THR 67 HG1 THR 67 -1.692 1.911 7.994 494 1HG2 THR 67 HG21 THR 67 -0.930 3.496 4.509 495 2HG2 THR 67 HG22 THR 67 -0.732 4.455 5.973 496 3HG2 THR 67 HG23 THR 67 -2.288 3.708 5.612 497 H LEU 68 HN LEU 68 -0.903 1.621 3.013 498 HA LEU 68 HA LEU 68 1.789 2.312 2.130 499 1HB LEU 68 HB2 LEU 68 -0.603 1.160 0.912 500 2HB LEU 68 HB1 LEU 68 0.117 2.418 -0.063 501 HG LEU 68 HG LEU 68 2.326 1.037 0.405 502 1HD1 LEU 68 HD11 LEU 68 0.109 -0.964 0.749 503 2HD1 LEU 68 HD12 LEU 68 1.402 -0.586 1.885 504 3HD1 LEU 68 HD13 LEU 68 1.775 -1.392 0.362 505 1HD2 LEU 68 HD21 LEU 68 0.447 1.218 -1.696 506 2HD2 LEU 68 HD22 LEU 68 0.963 -0.459 -1.590 507 3HD2 LEU 68 HD23 LEU 68 2.162 0.813 -1.791 508 H THR 69 HN THR 69 1.749 4.387 3.247 509 HA THR 69 HA THR 69 -0.209 6.343 2.497 510 HB THR 69 HB THR 69 2.284 6.415 4.166 511 HG1 THR 69 HG1 THR 69 0.793 6.846 5.785 512 1HG2 THR 69 HG21 THR 69 0.530 8.781 3.551 513 2HG2 THR 69 HG22 THR 69 2.212 8.580 3.061 514 3HG2 THR 69 HG23 THR 69 1.803 8.720 4.771 515 H PHE 70 HN PHE 70 -0.162 6.829 0.366 516 HA PHE 70 HA PHE 70 2.276 7.280 -1.064 517 1HB PHE 70 HB2 PHE 70 -0.607 7.855 -1.775 518 2HB PHE 70 HB1 PHE 70 0.741 7.978 -2.884 519 HD1 PHE 70 HD1 PHE 70 1.567 5.308 -0.898 520 HD2 PHE 70 HD2 PHE 70 -1.201 6.393 -3.929 521 HE1 PHE 70 HE1 PHE 70 1.301 2.940 -1.499 522 HE2 PHE 70 HE2 PHE 70 -1.469 4.029 -4.540 523 HZ PHE 70 HZ PHE 70 -0.211 2.297 -3.327 524 H ASP 71 HN ASP 71 3.444 9.014 -0.370 525 HA ASP 71 HA ASP 71 2.245 11.397 0.601 526 1HB ASP 71 HB2 ASP 71 4.469 10.767 1.303 527 2HB ASP 71 HB1 ASP 71 5.057 10.869 -0.345 528 H PHE 72 HN PHE 72 0.871 12.198 -0.831 529 HA PHE 72 HA PHE 72 1.747 12.913 -3.514 530 1HB PHE 72 HB2 PHE 72 -0.774 12.296 -2.258 531 2HB PHE 72 HB1 PHE 72 -0.868 13.847 -3.084 532 HD1 PHE 72 HD1 PHE 72 -1.922 13.610 -5.092 533 HD2 PHE 72 HD2 PHE 72 0.853 10.632 -3.870 534 HE1 PHE 72 HE1 PHE 72 -2.223 12.457 -7.243 535 HE2 PHE 72 HE2 PHE 72 0.557 9.474 -6.018 536 HZ PHE 72 HZ PHE 72 -0.979 10.386 -7.701 537 H GLY 73 HN GLY 73 2.651 14.244 -0.953 538 1HA GLY 73 HA2 GLY 73 3.109 16.365 -0.210 539 2HA GLY 73 HA1 GLY 73 2.887 16.855 -1.881 540 H VAL 74 HN VAL 74 0.156 15.358 -0.513 541 HA VAL 74 HA VAL 74 -1.081 17.994 -0.083 542 HB VAL 74 HB VAL 74 -3.225 16.978 -0.709 543 1HG1 VAL 74 HG11 VAL 74 -2.856 17.535 -2.834 544 2HG1 VAL 74 HG12 VAL 74 -1.739 16.193 -3.073 545 3HG1 VAL 74 HG13 VAL 74 -1.156 17.712 -2.392 546 1HG2 VAL 74 HG21 VAL 74 -3.276 14.747 -1.736 547 2HG2 VAL 74 HG22 VAL 74 -2.771 14.680 -0.050 548 3HG2 VAL 74 HG23 VAL 74 -1.572 14.531 -1.334 549 H GLY 75 HN GLY 75 -0.757 14.699 1.090 550 1HA GLY 75 HA2 GLY 75 -1.061 13.846 3.204 551 2HA GLY 75 HA1 GLY 75 -1.254 15.488 3.778 552 H THR 76 HN THR 76 -3.377 16.487 3.202 553 HA THR 76 HA THR 76 -5.458 15.190 4.441 554 HB THR 76 HB THR 76 -5.672 17.292 2.277 555 HG1 THR 76 HG1 THR 76 -5.284 17.445 5.072 556 1HG2 THR 76 HG21 THR 76 -7.618 16.525 4.437 557 2HG2 THR 76 HG22 THR 76 -7.849 16.367 2.697 558 3HG2 THR 76 HG23 THR 76 -7.737 17.966 3.429 559 H LYS 77 HN LYS 77 -5.329 15.737 0.915 560 HA LYS 77 HA LYS 77 -7.195 13.570 0.519 561 1HB LYS 77 HB2 LYS 77 -5.967 15.523 -1.416 562 2HB LYS 77 HB1 LYS 77 -7.145 14.297 -1.857 563 1HG LYS 77 HG2 LYS 77 -8.573 15.430 0.020 564 2HG LYS 77 HG1 LYS 77 -7.511 16.802 -0.294 565 1HD LYS 77 HD2 LYS 77 -8.145 16.812 -2.621 566 2HD LYS 77 HD1 LYS 77 -9.108 15.348 -2.401 567 1HE LYS 77 HE2 LYS 77 -10.377 17.544 -2.454 568 2HE LYS 77 HE1 LYS 77 -10.709 16.474 -1.093 569 1HZ LYS 77 HZ1 LYS 77 -9.606 17.841 0.361 570 2HZ LYS 77 HZ2 LYS 77 -10.290 18.978 -0.684 571 3HZ LYS 77 HZ3 LYS 77 -8.656 18.564 -0.831 572 H ASN 78 HN ASN 78 -4.151 13.416 1.190 573 HA ASN 78 HA ASN 78 -2.897 12.138 -0.976 574 1HB ASN 78 HB2 ASN 78 -1.141 12.293 0.389 575 2HB ASN 78 HB1 ASN 78 -2.211 12.881 1.652 576 1HD2 ASN 78 HD21 ASN 78 -1.113 9.864 0.164 577 2HD2 ASN 78 HD22 ASN 78 -1.045 8.960 1.634 578 HA PRO 79 HA PRO 79 -5.272 8.350 -0.859 579 1HB PRO 79 HB2 PRO 79 -3.900 7.070 -2.833 580 2HB PRO 79 HB1 PRO 79 -5.117 8.311 -3.149 581 1HG PRO 79 HG2 PRO 79 -2.132 8.567 -3.074 582 2HG PRO 79 HG1 PRO 79 -3.287 9.246 -4.239 583 1HD PRO 79 HD2 PRO 79 -2.232 10.720 -2.241 584 2HD PRO 79 HD1 PRO 79 -3.888 10.975 -2.828 585 H LYS 80 HN LYS 80 -4.687 7.532 1.133 586 HA LYS 80 HA LYS 80 -2.211 5.941 1.222 587 1HB LYS 80 HB2 LYS 80 -2.192 7.617 2.938 588 2HB LYS 80 HB1 LYS 80 -3.830 7.209 3.427 589 1HG LYS 80 HG2 LYS 80 -2.930 4.925 4.045 590 2HG LYS 80 HG1 LYS 80 -1.321 5.619 3.847 591 1HD LYS 80 HD2 LYS 80 -1.484 6.250 5.983 592 2HD LYS 80 HD1 LYS 80 -2.629 7.471 5.421 593 1HE LYS 80 HE2 LYS 80 -4.113 5.116 5.647 594 2HE LYS 80 HE1 LYS 80 -3.076 5.144 7.072 595 1HZ LYS 80 HZ1 LYS 80 -3.869 7.465 7.441 596 2HZ LYS 80 HZ2 LYS 80 -5.064 6.281 7.612 597 3HZ LYS 80 HZ3 LYS 80 -5.006 7.224 6.210 598 H LEU 81 HN LEU 81 -2.315 3.797 1.641 599 HA LEU 81 HA LEU 81 -4.978 2.647 1.998 600 1HB LEU 81 HB2 LEU 81 -3.228 0.644 1.068 601 2HB LEU 81 HB1 LEU 81 -4.582 1.370 0.227 602 HG LEU 81 HG LEU 81 -1.854 2.626 0.194 603 1HD1 LEU 81 HD11 LEU 81 -2.951 0.619 -1.763 604 2HD1 LEU 81 HD12 LEU 81 -1.640 0.330 -0.619 605 3HD1 LEU 81 HD13 LEU 81 -1.434 1.507 -1.914 606 1HD2 LEU 81 HD21 LEU 81 -4.441 3.242 -0.903 607 2HD2 LEU 81 HD22 LEU 81 -3.249 3.038 -2.187 608 3HD2 LEU 81 HD23 LEU 81 -2.964 4.208 -0.895 609 H THR 82 HN THR 82 -5.044 0.550 3.152 610 HA THR 82 HA THR 82 -2.991 0.465 5.267 611 HB THR 82 HB THR 82 -5.646 -0.661 5.876 612 HG1 THR 82 HG1 THR 82 -6.654 1.057 5.249 613 1HG2 THR 82 HG21 THR 82 -5.306 0.201 8.013 614 2HG2 THR 82 HG22 THR 82 -4.105 1.362 7.447 615 3HG2 THR 82 HG23 THR 82 -3.717 -0.352 7.496 616 H ILE 83 HN ILE 83 -1.699 -1.212 4.850 617 HA ILE 83 HA ILE 83 -2.725 -3.648 3.651 618 HB ILE 83 HB ILE 83 0.055 -3.064 4.669 619 1HG1 ILE 83 HG12 ILE 83 -0.962 -1.585 2.771 620 2HG1 ILE 83 HG11 ILE 83 0.654 -2.241 2.585 621 1HG2 ILE 83 HG21 ILE 83 0.766 -4.941 3.374 622 2HG2 ILE 83 HG22 ILE 83 -0.841 -5.148 2.690 623 3HG2 ILE 83 HG23 ILE 83 -0.566 -5.460 4.402 624 1HD1 ILE 83 HD11 ILE 83 -1.239 -4.096 1.525 625 2HD1 ILE 83 HD12 ILE 83 0.065 -3.242 0.706 626 3HD1 ILE 83 HD13 ILE 83 -1.520 -2.495 0.842 627 H THR 84 HN THR 84 -3.748 -5.083 4.926 628 HA THR 84 HA THR 84 -2.970 -5.299 7.730 629 HB THR 84 HB THR 84 -5.377 -6.178 6.168 630 HG1 THR 84 HG1 THR 84 -5.325 -4.802 8.617 631 1HG2 THR 84 HG21 THR 84 -5.223 -8.062 7.492 632 2HG2 THR 84 HG22 THR 84 -6.213 -6.981 8.471 633 3HG2 THR 84 HG23 THR 84 -4.499 -7.182 8.839 634 H VAL 85 HN VAL 85 -1.154 -6.530 7.800 635 HA VAL 85 HA VAL 85 -0.976 -8.999 6.292 636 HB VAL 85 HB VAL 85 0.925 -7.911 8.361 637 1HG1 VAL 85 HG11 VAL 85 2.268 -9.466 6.466 638 2HG1 VAL 85 HG12 VAL 85 0.817 -10.375 6.888 639 3HG1 VAL 85 HG13 VAL 85 1.942 -9.873 8.150 640 1HG2 VAL 85 HG21 VAL 85 1.905 -7.705 5.689 641 2HG2 VAL 85 HG22 VAL 85 1.643 -6.425 6.873 642 3HG2 VAL 85 HG23 VAL 85 0.337 -6.907 5.792 643 H LEU 86 HN LEU 86 -1.364 -10.977 7.047 644 HA LEU 86 HA LEU 86 -2.151 -11.238 9.861 645 1HB LEU 86 HB2 LEU 86 -3.087 -12.477 7.342 646 2HB LEU 86 HB1 LEU 86 -3.052 -13.518 8.751 647 HG LEU 86 HG LEU 86 -4.302 -10.969 9.350 648 1HD1 LEU 86 HD11 LEU 86 -5.346 -12.581 7.042 649 2HD1 LEU 86 HD12 LEU 86 -5.057 -10.843 7.131 650 3HD1 LEU 86 HD13 LEU 86 -6.393 -11.561 8.030 651 1HD2 LEU 86 HD21 LEU 86 -6.186 -12.812 9.781 652 2HD2 LEU 86 HD22 LEU 86 -4.842 -12.541 10.892 653 3HD2 LEU 86 HD23 LEU 86 -4.773 -13.865 9.727 654 HA PRO 87 HA PRO 87 1.114 -14.038 10.755 655 1HB PRO 87 HB2 PRO 87 -0.062 -15.921 12.302 656 2HB PRO 87 HB1 PRO 87 0.211 -14.268 12.859 657 1HG PRO 87 HG2 PRO 87 -2.287 -15.513 11.787 658 2HG PRO 87 HG1 PRO 87 -2.084 -14.426 13.173 659 1HD PRO 87 HD2 PRO 87 -2.953 -13.575 10.745 660 2HD PRO 87 HD1 PRO 87 -2.012 -12.546 11.844 661 H LYS 88 HN LYS 88 2.141 -15.683 9.782 662 HA LYS 88 HA LYS 88 0.913 -17.115 7.682 663 1HB LYS 88 HB2 LYS 88 3.265 -18.497 8.441 664 2HB LYS 88 HB1 LYS 88 3.043 -17.396 7.092 665 1HG LYS 88 HG2 LYS 88 3.643 -15.513 8.550 666 2HG LYS 88 HG1 LYS 88 3.905 -16.646 9.879 667 1HD LYS 88 HD2 LYS 88 6.045 -16.264 9.002 668 2HD LYS 88 HD1 LYS 88 5.559 -17.815 8.317 669 1HE LYS 88 HE2 LYS 88 5.617 -17.022 6.228 670 2HE LYS 88 HE1 LYS 88 4.738 -15.561 6.674 671 1HZ LYS 88 HZ1 LYS 88 7.012 -15.148 5.835 672 2HZ LYS 88 HZ2 LYS 88 7.635 -15.974 7.174 673 3HZ LYS 88 HZ3 LYS 88 6.759 -14.543 7.396 674 H ASP 89 HN ASP 89 -0.541 -18.659 7.952 675 HA ASP 89 HA ASP 89 0.064 -20.982 9.527 676 1HB ASP 89 HB2 ASP 89 -1.004 -19.165 11.078 677 2HB ASP 89 HB1 ASP 89 -2.501 -19.641 10.282 678 H ILE 90 HN ILE 90 -1.667 -22.648 9.337 679 HA ILE 90 HA ILE 90 -3.280 -22.272 6.900 680 HB ILE 90 HB ILE 90 -1.257 -23.622 6.405 681 1HG1 ILE 90 HG12 ILE 90 -2.404 -25.355 5.196 682 2HG1 ILE 90 HG11 ILE 90 -3.770 -25.301 6.309 683 1HG2 ILE 90 HG21 ILE 90 -0.646 -25.483 7.542 684 2HG2 ILE 90 HG22 ILE 90 -2.312 -25.942 7.904 685 3HG2 ILE 90 HG23 ILE 90 -1.518 -24.678 8.848 686 1HD1 ILE 90 HD11 ILE 90 -2.980 -22.963 4.600 687 2HD1 ILE 90 HD12 ILE 90 -4.494 -23.224 5.471 688 3HD1 ILE 90 HD13 ILE 90 -4.104 -24.212 4.063 689 HA PRO 91 HA PRO 91 -5.708 -24.004 10.559 690 1HB PRO 91 HB2 PRO 91 -7.517 -21.990 10.728 691 2HB PRO 91 HB1 PRO 91 -5.980 -21.973 11.603 692 1HG PRO 91 HG2 PRO 91 -6.720 -20.612 9.039 693 2HG PRO 91 HG1 PRO 91 -5.798 -19.980 10.416 694 1HD PRO 91 HD2 PRO 91 -4.609 -20.874 8.151 695 2HD PRO 91 HD1 PRO 91 -3.849 -21.018 9.749 696 H GLY 92 HN GLY 92 -7.307 -25.388 10.101 697 1HA GLY 92 HA2 GLY 92 -8.494 -25.411 7.489 698 2HA GLY 92 HA1 GLY 92 -8.822 -26.543 8.794 699 H LEU 93 HN LEU 93 -9.407 -24.117 10.551 700 HA LEU 93 HA LEU 93 -12.158 -23.718 9.583 701 1HB LEU 93 HB2 LEU 93 -11.752 -24.942 11.778 702 2HB LEU 93 HB1 LEU 93 -11.208 -23.406 12.424 703 HG LEU 93 HG LEU 93 -13.957 -23.874 11.269 704 1HD1 LEU 93 HD11 LEU 93 -14.789 -24.095 13.460 705 2HD1 LEU 93 HD12 LEU 93 -13.248 -23.625 14.179 706 3HD1 LEU 93 HD13 LEU 93 -13.402 -25.181 13.364 707 1HD2 LEU 93 HD21 LEU 93 -13.450 -21.580 11.118 708 2HD2 LEU 93 HD22 LEU 93 -12.651 -21.570 12.688 709 3HD2 LEU 93 HD23 LEU 93 -14.402 -21.751 12.594 710 H GLU 94 HN GLU 94 -11.436 -21.931 8.271 711 HA GLU 94 HA GLU 94 -11.217 -19.713 7.827 712 1HB GLU 94 HB2 GLU 94 -12.261 -19.631 10.640 713 2HB GLU 94 HB1 GLU 94 -11.817 -18.148 9.806 714 1HG GLU 94 HG2 GLU 94 -13.958 -20.118 9.069 715 2HG GLU 94 HG1 GLU 94 -14.139 -18.422 9.515 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -4.272 22.586 -2.266 2 2H MET 1 HT2 MET 1 -4.477 20.902 -2.005 3 3H MET 1 HT3 MET 1 -5.283 22.033 -0.996 4 HA MET 1 HA MET 1 -6.950 21.467 -2.347 5 1HB MET 1 HB2 MET 1 -5.665 23.524 -4.126 6 2HB MET 1 HB1 MET 1 -7.363 23.342 -3.708 7 1HG MET 1 HG2 MET 1 -6.104 23.784 -1.280 8 2HG MET 1 HG1 MET 1 -5.288 24.869 -2.405 9 1HE MET 1 HE1 MET 1 -6.359 26.970 -0.768 10 2HE MET 1 HE2 MET 1 -6.955 25.599 0.161 11 3HE MET 1 HE3 MET 1 -8.057 26.895 -0.301 12 H GLN 2 HN GLN 2 -5.363 19.411 -2.893 13 HA GLN 2 HA GLN 2 -5.033 19.301 -5.807 14 1HB GLN 2 HB2 GLN 2 -4.161 17.050 -4.063 15 2HB GLN 2 HB1 GLN 2 -3.416 17.695 -5.518 16 1HG GLN 2 HG2 GLN 2 -3.261 18.762 -2.719 17 2HG GLN 2 HG1 GLN 2 -1.950 18.205 -3.758 18 1HE2 GLN 2 HE21 GLN 2 -1.565 19.481 -5.730 19 2HE2 GLN 2 HE22 GLN 2 -1.777 21.194 -5.650 20 H ASP 3 HN ASP 3 -5.703 17.312 -6.916 21 HA ASP 3 HA ASP 3 -7.969 15.962 -5.629 22 1HB ASP 3 HB2 ASP 3 -8.126 17.803 -7.786 23 2HB ASP 3 HB1 ASP 3 -8.525 16.204 -8.402 24 HA PRO 4 HA PRO 4 -5.227 12.886 -7.716 25 1HB PRO 4 HB2 PRO 4 -4.391 11.528 -5.581 26 2HB PRO 4 HB1 PRO 4 -3.671 13.088 -6.007 27 1HG PRO 4 HG2 PRO 4 -5.671 12.438 -3.888 28 2HG PRO 4 HG1 PRO 4 -4.317 13.579 -3.841 29 1HD PRO 4 HD2 PRO 4 -6.989 14.236 -4.325 30 2HD PRO 4 HD1 PRO 4 -5.589 15.263 -4.686 31 H THR 5 HN THR 5 -5.624 10.661 -8.097 32 HA THR 5 HA THR 5 -7.916 9.505 -6.675 33 HB THR 5 HB THR 5 -7.680 9.736 -9.679 34 HG1 THR 5 HG1 THR 5 -8.631 11.454 -8.187 35 1HG2 THR 5 HG21 THR 5 -8.970 7.703 -8.174 36 2HG2 THR 5 HG22 THR 5 -8.962 7.959 -9.920 37 3HG2 THR 5 HG23 THR 5 -10.200 8.723 -8.920 38 H ILE 6 HN ILE 6 -7.338 7.563 -5.924 39 HA ILE 6 HA ILE 6 -5.802 5.805 -7.654 40 HB ILE 6 HB ILE 6 -4.043 5.458 -6.248 41 1HG1 ILE 6 HG12 ILE 6 -5.318 6.795 -3.882 42 2HG1 ILE 6 HG11 ILE 6 -5.625 5.098 -4.227 43 1HG2 ILE 6 HG21 ILE 6 -4.707 8.299 -5.535 44 2HG2 ILE 6 HG22 ILE 6 -4.084 7.793 -7.104 45 3HG2 ILE 6 HG23 ILE 6 -3.107 7.570 -5.655 46 1HD1 ILE 6 HD11 ILE 6 -3.884 4.970 -2.748 47 2HD1 ILE 6 HD12 ILE 6 -3.109 6.427 -3.369 48 3HD1 ILE 6 HD13 ILE 6 -3.036 4.928 -4.293 49 H ASN 7 HN ASN 7 -5.374 3.693 -6.263 50 HA ASN 7 HA ASN 7 -7.714 2.267 -6.103 51 1HB ASN 7 HB2 ASN 7 -5.976 1.107 -4.200 52 2HB ASN 7 HB1 ASN 7 -6.202 0.633 -5.882 53 1HD2 ASN 7 HD21 ASN 7 -4.542 3.067 -3.930 54 2HD2 ASN 7 HD22 ASN 7 -3.091 3.074 -4.859 55 HA PRO 8 HA PRO 8 -9.779 2.616 -2.323 56 1HB PRO 8 HB2 PRO 8 -8.797 0.061 -1.190 57 2HB PRO 8 HB1 PRO 8 -10.453 0.578 -1.527 58 1HG PRO 8 HG2 PRO 8 -9.247 -1.209 -3.086 59 2HG PRO 8 HG1 PRO 8 -10.307 0.029 -3.780 60 1HD PRO 8 HD2 PRO 8 -7.314 -0.062 -3.679 61 2HD PRO 8 HD1 PRO 8 -8.371 0.423 -5.016 62 H THR 9 HN THR 9 -9.273 1.573 0.279 63 HA THR 9 HA THR 9 -6.730 2.764 1.060 64 HB THR 9 HB THR 9 -9.432 3.704 2.021 65 HG1 THR 9 HG1 THR 9 -8.696 4.677 0.114 66 1HG2 THR 9 HG21 THR 9 -8.543 4.311 3.945 67 2HG2 THR 9 HG22 THR 9 -7.452 5.376 3.057 68 3HG2 THR 9 HG23 THR 9 -6.955 3.731 3.451 69 H SER 10 HN SER 10 -8.477 0.102 1.218 70 HA SER 10 HA SER 10 -7.341 -0.650 3.767 71 1HB SER 10 HB2 SER 10 -9.746 0.434 4.052 72 2HB SER 10 HB1 SER 10 -10.268 -1.187 3.616 73 HG SER 10 HG SER 10 -9.015 -1.976 5.348 74 H ILE 11 HN ILE 11 -6.603 -2.649 3.633 75 HA ILE 11 HA ILE 11 -8.093 -4.716 2.274 76 HB ILE 11 HB ILE 11 -6.355 -5.400 0.821 77 1HG1 ILE 11 HG12 ILE 11 -4.667 -3.126 1.862 78 2HG1 ILE 11 HG11 ILE 11 -4.459 -4.812 2.319 79 1HG2 ILE 11 HG21 ILE 11 -7.815 -3.625 -0.008 80 2HG2 ILE 11 HG22 ILE 11 -6.206 -3.536 -0.723 81 3HG2 ILE 11 HG23 ILE 11 -6.660 -2.420 0.559 82 1HD1 ILE 11 HD11 ILE 11 -3.190 -3.525 0.258 83 2HD1 ILE 11 HD12 ILE 11 -4.467 -4.426 -0.553 84 3HD1 ILE 11 HD13 ILE 11 -3.311 -5.269 0.474 85 H SER 12 HN SER 12 -7.193 -6.885 2.724 86 HA SER 12 HA SER 12 -5.210 -7.019 4.855 87 1HB SER 12 HB2 SER 12 -7.285 -8.737 5.720 88 2HB SER 12 HB1 SER 12 -6.689 -7.278 6.512 89 HG SER 12 HG SER 12 -8.649 -6.602 6.131 90 H ALA 13 HN ALA 13 -4.150 -8.972 5.003 91 HA ALA 13 HA ALA 13 -5.036 -11.371 3.813 92 1HB ALA 13 HB1 ALA 13 -3.981 -9.560 1.979 93 2HB ALA 13 HB2 ALA 13 -4.248 -11.287 1.735 94 3HB ALA 13 HB3 ALA 13 -2.677 -10.707 2.286 95 H LYS 14 HN LYS 14 -3.407 -13.071 3.965 96 HA LYS 14 HA LYS 14 -1.890 -12.860 6.365 97 1HB LYS 14 HB2 LYS 14 -2.963 -14.944 4.952 98 2HB LYS 14 HB1 LYS 14 -1.253 -15.108 4.576 99 1HG LYS 14 HG2 LYS 14 -0.878 -16.045 6.543 100 2HG LYS 14 HG1 LYS 14 -1.549 -14.640 7.375 101 1HD LYS 14 HD2 LYS 14 -3.739 -15.550 7.334 102 2HD LYS 14 HD1 LYS 14 -3.264 -16.816 6.200 103 1HE LYS 14 HE2 LYS 14 -3.323 -17.951 8.217 104 2HE LYS 14 HE1 LYS 14 -1.618 -17.526 8.071 105 1HZ LYS 14 HZ1 LYS 14 -3.660 -16.425 9.869 106 2HZ LYS 14 HZ2 LYS 14 -2.374 -15.437 9.396 107 3HZ LYS 14 HZ3 LYS 14 -2.067 -16.890 10.207 108 H ALA 15 HN ALA 15 0.384 -12.929 6.629 109 HA ALA 15 HA ALA 15 1.808 -11.411 4.742 110 1HB ALA 15 HB1 ALA 15 3.545 -11.384 6.227 111 2HB ALA 15 HB2 ALA 15 3.348 -13.086 6.652 112 3HB ALA 15 HB3 ALA 15 2.252 -11.878 7.323 113 H GLY 16 HN GLY 16 2.061 -12.097 2.824 114 1HA GLY 16 HA2 GLY 16 3.782 -13.437 1.556 115 2HA GLY 16 HA1 GLY 16 3.069 -14.826 2.372 116 H SER 17 HN SER 17 0.369 -13.908 2.288 117 HA SER 17 HA SER 17 -0.353 -14.809 -0.304 118 1HB SER 17 HB2 SER 17 -2.561 -13.594 0.891 119 2HB SER 17 HB1 SER 17 -2.154 -15.303 0.937 120 HG SER 17 HG SER 17 -1.648 -13.292 2.832 121 H PHE 18 HN PHE 18 1.118 -12.129 0.369 122 HA PHE 18 HA PHE 18 -0.613 -10.251 -0.996 123 1HB PHE 18 HB2 PHE 18 1.929 -10.044 0.570 124 2HB PHE 18 HB1 PHE 18 1.286 -8.701 -0.336 125 HD1 PHE 18 HD1 PHE 18 -1.414 -8.446 0.123 126 HD2 PHE 18 HD2 PHE 18 1.521 -9.950 2.809 127 HE1 PHE 18 HE1 PHE 18 -2.858 -7.862 2.028 128 HE2 PHE 18 HE2 PHE 18 0.079 -9.370 4.719 129 HZ PHE 18 HZ PHE 18 -2.109 -8.324 4.327 130 H ALA 19 HN ALA 19 -0.286 -11.542 -3.005 131 HA ALA 19 HA ALA 19 2.269 -11.641 -4.242 132 1HB ALA 19 HB1 ALA 19 0.169 -13.031 -4.779 133 2HB ALA 19 HB2 ALA 19 1.192 -12.514 -6.120 134 3HB ALA 19 HB3 ALA 19 -0.304 -11.655 -5.774 135 H ASP 20 HN ASP 20 2.921 -10.442 -6.176 136 HA ASP 20 HA ASP 20 3.198 -7.802 -5.953 137 1HB ASP 20 HB2 ASP 20 4.235 -9.004 -7.783 138 2HB ASP 20 HB1 ASP 20 2.666 -9.270 -8.540 139 H THR 21 HN THR 21 1.816 -6.193 -5.529 140 HA THR 21 HA THR 21 -0.855 -6.359 -6.779 141 HB THR 21 HB THR 21 -0.251 -4.702 -4.351 142 HG1 THR 21 HG1 THR 21 0.336 -6.637 -3.597 143 1HG2 THR 21 HG21 THR 21 -2.733 -5.940 -4.151 144 2HG2 THR 21 HG22 THR 21 -2.613 -5.394 -5.822 145 3HG2 THR 21 HG23 THR 21 -2.405 -4.245 -4.502 146 H LYS 22 HN LYS 22 -0.636 -5.179 -8.625 147 HA LYS 22 HA LYS 22 0.804 -2.762 -8.780 148 1HB LYS 22 HB2 LYS 22 0.445 -4.110 -10.757 149 2HB LYS 22 HB1 LYS 22 -1.283 -3.902 -10.599 150 1HG LYS 22 HG2 LYS 22 -0.678 -2.408 -12.277 151 2HG LYS 22 HG1 LYS 22 -0.839 -1.404 -10.835 152 1HD LYS 22 HD2 LYS 22 1.265 -0.730 -11.031 153 2HD LYS 22 HD1 LYS 22 1.829 -2.401 -10.985 154 1HE LYS 22 HE2 LYS 22 0.648 -1.637 -13.543 155 2HE LYS 22 HE1 LYS 22 2.069 -0.686 -13.115 156 1HZ LYS 22 HZ1 LYS 22 2.171 -3.064 -14.320 157 2HZ LYS 22 HZ2 LYS 22 2.319 -3.543 -12.705 158 3HZ LYS 22 HZ3 LYS 22 3.420 -2.442 -13.362 159 H ILE 23 HN ILE 23 0.173 -0.740 -8.568 160 HA ILE 23 HA ILE 23 -2.626 -0.196 -7.909 161 HB ILE 23 HB ILE 23 -0.226 0.307 -6.330 162 1HG1 ILE 23 HG12 ILE 23 -3.141 -0.189 -5.856 163 2HG1 ILE 23 HG11 ILE 23 -1.765 -1.185 -5.417 164 1HG2 ILE 23 HG21 ILE 23 -1.403 2.328 -5.246 165 2HG2 ILE 23 HG22 ILE 23 -2.239 2.467 -6.793 166 3HG2 ILE 23 HG23 ILE 23 -0.482 2.576 -6.727 167 1HD1 ILE 23 HD11 ILE 23 -2.229 1.488 -4.161 168 2HD1 ILE 23 HD12 ILE 23 -1.228 0.154 -3.594 169 3HD1 ILE 23 HD13 ILE 23 -2.985 0.017 -3.551 170 H THR 24 HN THR 24 -3.430 1.877 -8.445 171 HA THR 24 HA THR 24 -1.764 3.308 -10.411 172 HB THR 24 HB THR 24 -4.778 3.283 -10.346 173 HG1 THR 24 HG1 THR 24 -4.675 1.366 -11.149 174 1HG2 THR 24 HG21 THR 24 -2.928 3.846 -12.645 175 2HG2 THR 24 HG22 THR 24 -3.651 5.096 -11.630 176 3HG2 THR 24 HG23 THR 24 -4.680 4.036 -12.593 177 H LEU 25 HN LEU 25 -1.065 5.199 -9.697 178 HA LEU 25 HA LEU 25 -2.632 6.675 -7.713 179 1HB LEU 25 HB2 LEU 25 0.212 6.286 -8.330 180 2HB LEU 25 HB1 LEU 25 -0.235 7.906 -7.869 181 HG LEU 25 HG LEU 25 -1.381 6.760 -5.836 182 1HD1 LEU 25 HD11 LEU 25 -1.267 4.546 -5.818 183 2HD1 LEU 25 HD12 LEU 25 0.457 4.710 -5.514 184 3HD1 LEU 25 HD13 LEU 25 -0.130 4.527 -7.167 185 1HD2 LEU 25 HD21 LEU 25 1.319 7.638 -6.336 186 2HD2 LEU 25 HD22 LEU 25 1.265 6.416 -5.065 187 3HD2 LEU 25 HD23 LEU 25 0.298 7.884 -4.920 188 H THR 26 HN THR 26 -4.099 7.753 -9.078 189 HA THR 26 HA THR 26 -3.298 9.102 -11.447 190 HB THR 26 HB THR 26 -5.755 9.703 -9.800 191 HG1 THR 26 HG1 THR 26 -6.684 7.970 -10.624 192 1HG2 THR 26 HG21 THR 26 -6.325 9.704 -12.535 193 2HG2 THR 26 HG22 THR 26 -4.831 10.623 -12.346 194 3HG2 THR 26 HG23 THR 26 -6.273 11.085 -11.439 195 HA PRO 27 HA PRO 27 -1.632 12.655 -9.228 196 1HB PRO 27 HB2 PRO 27 0.189 13.289 -10.986 197 2HB PRO 27 HB1 PRO 27 0.291 11.715 -10.186 198 1HG PRO 27 HG2 PRO 27 -0.814 12.361 -12.897 199 2HG PRO 27 HG1 PRO 27 0.344 11.104 -12.454 200 1HD PRO 27 HD2 PRO 27 -2.358 10.681 -12.707 201 2HD PRO 27 HD1 PRO 27 -1.280 9.686 -11.709 202 H ASN 28 HN ASN 28 -3.642 12.500 -11.773 203 HA ASN 28 HA ASN 28 -3.648 14.516 -13.397 204 1HB ASN 28 HB2 ASN 28 -5.574 12.756 -12.523 205 2HB ASN 28 HB1 ASN 28 -6.282 14.324 -12.159 206 1HD2 ASN 28 HD21 ASN 28 -7.874 13.833 -13.747 207 2HD2 ASN 28 HD22 ASN 28 -7.531 14.050 -15.426 208 H GLY 29 HN GLY 29 -2.355 15.887 -12.012 209 1HA GLY 29 HA2 GLY 29 -2.642 18.321 -11.645 210 2HA GLY 29 HA1 GLY 29 -4.021 17.908 -10.641 211 H ASN 30 HN ASN 30 -2.627 15.628 -9.486 212 HA ASN 30 HA ASN 30 -0.988 17.065 -7.530 213 1HB ASN 30 HB2 ASN 30 -1.709 14.290 -6.931 214 2HB ASN 30 HB1 ASN 30 -1.864 15.732 -5.937 215 1HD2 ASN 30 HD21 ASN 30 -3.328 14.106 -8.726 216 2HD2 ASN 30 HD22 ASN 30 -4.944 14.606 -8.384 217 H THR 31 HN THR 31 0.787 15.728 -6.538 218 HA THR 31 HA THR 31 2.161 14.144 -8.601 219 HB THR 31 HB THR 31 3.427 16.101 -8.540 220 HG1 THR 31 HG1 THR 31 4.635 14.605 -6.464 221 1HG2 THR 31 HG21 THR 31 2.719 17.504 -6.908 222 2HG2 THR 31 HG22 THR 31 4.210 16.934 -6.164 223 3HG2 THR 31 HG23 THR 31 2.662 16.238 -5.683 224 H PHE 32 HN PHE 32 3.848 12.692 -7.678 225 HA PHE 32 HA PHE 32 3.039 11.658 -5.043 226 1HB PHE 32 HB2 PHE 32 2.252 10.199 -6.878 227 2HB PHE 32 HB1 PHE 32 3.909 10.035 -7.443 228 HD1 PHE 32 HD1 PHE 32 3.011 10.086 -3.880 229 HD2 PHE 32 HD2 PHE 32 3.998 7.667 -7.238 230 HE1 PHE 32 HE1 PHE 32 3.349 8.160 -2.390 231 HE2 PHE 32 HE2 PHE 32 4.337 5.736 -5.754 232 HZ PHE 32 HZ PHE 32 4.012 5.983 -3.327 233 H ASN 33 HN ASN 33 4.626 11.044 -3.653 234 HA ASN 33 HA ASN 33 7.392 11.574 -4.509 235 1HB ASN 33 HB2 ASN 33 5.888 12.480 -2.250 236 2HB ASN 33 HB1 ASN 33 7.218 11.479 -1.673 237 1HD2 ASN 33 HD21 ASN 33 6.807 14.338 -1.397 238 2HD2 ASN 33 HD22 ASN 33 8.182 15.097 -2.113 239 H GLY 34 HN GLY 34 5.319 9.393 -2.658 240 1HA GLY 34 HA2 GLY 34 6.124 6.987 -3.272 241 2HA GLY 34 HA1 GLY 34 7.543 7.503 -2.377 242 H ILE 35 HN ILE 35 6.179 5.289 -1.557 243 HA ILE 35 HA ILE 35 4.488 6.131 0.677 244 HB ILE 35 HB ILE 35 5.112 3.268 0.139 245 1HG1 ILE 35 HG12 ILE 35 2.805 4.482 -1.299 246 2HG1 ILE 35 HG11 ILE 35 4.407 4.641 -2.011 247 1HG2 ILE 35 HG21 ILE 35 3.302 4.763 1.747 248 2HG2 ILE 35 HG22 ILE 35 3.567 3.019 1.705 249 3HG2 ILE 35 HG23 ILE 35 2.378 3.758 0.631 250 1HD1 ILE 35 HD11 ILE 35 2.638 2.465 -2.166 251 2HD1 ILE 35 HD12 ILE 35 4.023 1.940 -1.210 252 3HD1 ILE 35 HD13 ILE 35 4.268 2.600 -2.827 253 H SER 36 HN SER 36 5.955 6.917 2.140 254 HA SER 36 HA SER 36 8.417 5.648 2.793 255 1HB SER 36 HB2 SER 36 7.073 8.038 3.536 256 2HB SER 36 HB1 SER 36 7.420 7.161 5.027 257 HG SER 36 HG SER 36 9.089 8.586 3.566 258 H GLU 37 HN GLU 37 5.205 4.889 3.539 259 HA GLU 37 HA GLU 37 5.459 3.722 6.066 260 1HB GLU 37 HB2 GLU 37 3.487 4.051 4.155 261 2HB GLU 37 HB1 GLU 37 3.731 2.321 4.183 262 1HG GLU 37 HG2 GLU 37 2.547 2.143 6.047 263 2HG GLU 37 HG1 GLU 37 3.599 3.301 6.863 264 H LEU 38 HN LEU 38 6.339 2.770 2.851 265 HA LEU 38 HA LEU 38 7.858 0.531 3.901 266 1HB LEU 38 HB2 LEU 38 7.006 -0.570 1.582 267 2HB LEU 38 HB1 LEU 38 6.324 -0.918 3.151 268 HG LEU 38 HG LEU 38 5.166 1.323 1.574 269 1HD1 LEU 38 HD11 LEU 38 3.746 -1.079 1.023 270 2HD1 LEU 38 HD12 LEU 38 5.428 -1.287 0.538 271 3HD1 LEU 38 HD13 LEU 38 4.485 0.050 -0.102 272 1HD2 LEU 38 HD21 LEU 38 4.576 0.457 3.988 273 2HD2 LEU 38 HD22 LEU 38 3.649 -0.738 3.090 274 3HD2 LEU 38 HD23 LEU 38 3.312 0.975 2.876 275 H GLN 39 HN GLN 39 9.667 1.755 3.506 276 HA GLN 39 HA GLN 39 10.543 3.364 1.693 277 1HB GLN 39 HB2 GLN 39 12.232 0.975 2.410 278 2HB GLN 39 HB1 GLN 39 12.777 2.601 2.022 279 1HG GLN 39 HG2 GLN 39 11.217 3.134 4.140 280 2HG GLN 39 HG1 GLN 39 11.735 1.499 4.546 281 1HE2 GLN 39 HE21 GLN 39 14.187 1.188 4.080 282 2HE2 GLN 39 HE22 GLN 39 15.211 2.419 4.727 283 H SER 40 HN SER 40 9.644 3.243 -0.097 284 HA SER 40 HA SER 40 8.832 2.177 -2.106 285 1HB SER 40 HB2 SER 40 11.626 3.214 -2.577 286 2HB SER 40 HB1 SER 40 10.327 3.117 -3.765 287 HG SER 40 HG SER 40 9.178 4.492 -2.072 288 H SER 41 HN SER 41 12.049 1.090 -1.204 289 HA SER 41 HA SER 41 12.481 -0.775 -3.191 290 1HB SER 41 HB2 SER 41 14.349 -0.865 -1.932 291 2HB SER 41 HB1 SER 41 13.490 -0.318 -0.494 292 HG SER 41 HG SER 41 13.157 -2.343 0.097 293 H GLN 42 HN GLN 42 10.185 -0.837 -0.630 294 HA GLN 42 HA GLN 42 9.699 -3.592 -0.454 295 1HB GLN 42 HB2 GLN 42 7.711 -1.374 -0.030 296 2HB GLN 42 HB1 GLN 42 7.763 -2.932 0.740 297 1HG GLN 42 HG2 GLN 42 9.455 -0.545 1.244 298 2HG GLN 42 HG1 GLN 42 8.517 -1.504 2.379 299 1HE2 GLN 42 HE21 GLN 42 10.073 -2.034 3.800 300 2HE2 GLN 42 HE22 GLN 42 11.471 -2.974 3.416 301 H TYR 43 HN TYR 43 8.675 -1.123 -2.633 302 HA TYR 43 HA TYR 43 7.198 -3.092 -4.234 303 1HB TYR 43 HB2 TYR 43 5.701 -1.073 -4.862 304 2HB TYR 43 HB1 TYR 43 5.425 -1.882 -3.324 305 HD1 TYR 43 HD1 TYR 43 6.612 1.167 -4.944 306 HD2 TYR 43 HD2 TYR 43 5.992 -0.803 -1.230 307 HE1 TYR 43 HE1 TYR 43 6.878 3.310 -3.767 308 HE2 TYR 43 HE2 TYR 43 6.249 1.325 -0.042 309 HH TYR 43 HH TYR 43 7.590 3.655 -0.732 310 H THR 44 HN THR 44 6.554 -1.656 -6.342 311 HA THR 44 HA THR 44 9.063 -0.585 -7.405 312 HB THR 44 HB THR 44 7.198 -1.919 -9.284 313 HG1 THR 44 HG1 THR 44 7.274 -3.380 -7.509 314 1HG2 THR 44 HG21 THR 44 9.980 -1.210 -9.190 315 2HG2 THR 44 HG22 THR 44 8.980 -1.678 -10.564 316 3HG2 THR 44 HG23 THR 44 9.772 -2.914 -9.589 317 H LYS 45 HN LYS 45 8.316 1.465 -6.947 318 HA LYS 45 HA LYS 45 5.825 2.483 -7.803 319 1HB LYS 45 HB2 LYS 45 7.771 4.581 -7.620 320 2HB LYS 45 HB1 LYS 45 6.423 4.231 -6.561 321 1HG LYS 45 HG2 LYS 45 7.850 2.621 -5.339 322 2HG LYS 45 HG1 LYS 45 9.206 3.115 -6.354 323 1HD LYS 45 HD2 LYS 45 7.721 5.295 -5.037 324 2HD LYS 45 HD1 LYS 45 8.631 4.227 -3.966 325 1HE LYS 45 HE2 LYS 45 10.661 4.651 -5.205 326 2HE LYS 45 HE1 LYS 45 9.774 5.612 -6.388 327 1HZ LYS 45 HZ1 LYS 45 10.855 6.406 -3.885 328 2HZ LYS 45 HZ2 LYS 45 9.199 6.732 -3.939 329 3HZ LYS 45 HZ3 LYS 45 10.222 7.363 -5.127 330 H GLY 46 HN GLY 46 5.442 4.101 -9.387 331 1HA GLY 46 HA2 GLY 46 7.346 4.514 -11.511 332 2HA GLY 46 HA1 GLY 46 5.993 3.479 -11.955 333 H THR 47 HN THR 47 6.938 6.678 -10.922 334 HA THR 47 HA THR 47 5.360 8.478 -10.518 335 HB THR 47 HB THR 47 6.046 8.283 -13.454 336 HG1 THR 47 HG1 THR 47 7.483 9.207 -11.205 337 1HG2 THR 47 HG21 THR 47 6.257 10.906 -12.766 338 2HG2 THR 47 HG22 THR 47 4.827 10.406 -11.865 339 3HG2 THR 47 HG23 THR 47 4.893 10.181 -13.614 340 H ASN 48 HN ASN 48 3.262 8.416 -10.091 341 HA ASN 48 HA ASN 48 1.031 8.693 -10.586 342 1HB ASN 48 HB2 ASN 48 1.417 7.476 -13.306 343 2HB ASN 48 HB1 ASN 48 0.153 8.571 -12.764 344 1HD2 ASN 48 HD21 ASN 48 2.242 10.213 -11.363 345 2HD2 ASN 48 HD22 ASN 48 2.975 11.135 -12.623 346 H GLU 49 HN GLU 49 2.873 5.908 -10.642 347 HA GLU 49 HA GLU 49 0.605 4.338 -9.750 348 1HB GLU 49 HB2 GLU 49 2.053 3.825 -12.299 349 2HB GLU 49 HB1 GLU 49 1.604 2.436 -11.321 350 1HG GLU 49 HG2 GLU 49 -0.539 2.590 -11.888 351 2HG GLU 49 HG1 GLU 49 -0.565 4.341 -11.661 352 H VAL 50 HN VAL 50 1.307 2.179 -8.938 353 HA VAL 50 HA VAL 50 4.096 1.802 -8.316 354 HB VAL 50 HB VAL 50 2.410 1.970 -5.866 355 1HG1 VAL 50 HG11 VAL 50 5.109 3.035 -5.795 356 2HG1 VAL 50 HG12 VAL 50 5.045 1.383 -6.405 357 3HG1 VAL 50 HG13 VAL 50 4.365 1.765 -4.826 358 1HG2 VAL 50 HG21 VAL 50 2.854 4.314 -5.534 359 2HG2 VAL 50 HG22 VAL 50 1.997 4.106 -7.063 360 3HG2 VAL 50 HG23 VAL 50 3.735 4.402 -7.059 361 H THR 51 HN THR 51 4.525 -0.323 -7.942 362 HA THR 51 HA THR 51 2.184 -2.075 -7.598 363 HB THR 51 HB THR 51 3.589 -2.113 -9.781 364 HG1 THR 51 HG1 THR 51 3.180 -4.343 -9.944 365 1HG2 THR 51 HG21 THR 51 5.562 -3.219 -9.881 366 2HG2 THR 51 HG22 THR 51 5.229 -4.175 -8.437 367 3HG2 THR 51 HG23 THR 51 5.728 -2.489 -8.286 368 H LEU 52 HN LEU 52 2.078 -3.137 -5.751 369 HA LEU 52 HA LEU 52 4.177 -3.114 -3.828 370 1HB LEU 52 HB2 LEU 52 1.408 -3.938 -3.968 371 2HB LEU 52 HB1 LEU 52 2.366 -5.156 -3.147 372 HG LEU 52 HG LEU 52 2.424 -2.261 -2.373 373 1HD1 LEU 52 HD11 LEU 52 0.202 -2.730 -1.970 374 2HD1 LEU 52 HD12 LEU 52 0.961 -3.158 -0.436 375 3HD1 LEU 52 HD13 LEU 52 0.524 -4.422 -1.588 376 1HD2 LEU 52 HD21 LEU 52 3.099 -3.408 -0.165 377 2HD2 LEU 52 HD22 LEU 52 4.290 -3.295 -1.461 378 3HD2 LEU 52 HD23 LEU 52 3.432 -4.811 -1.184 379 H LEU 53 HN LEU 53 5.650 -4.692 -3.303 380 HA LEU 53 HA LEU 53 5.726 -6.938 -5.169 381 1HB LEU 53 HB2 LEU 53 7.706 -5.120 -4.355 382 2HB LEU 53 HB1 LEU 53 8.142 -6.651 -3.621 383 HG LEU 53 HG LEU 53 7.642 -6.227 -6.569 384 1HD1 LEU 53 HD11 LEU 53 9.752 -5.232 -5.352 385 2HD1 LEU 53 HD12 LEU 53 9.896 -6.048 -6.909 386 3HD1 LEU 53 HD13 LEU 53 10.303 -6.908 -5.424 387 1HD2 LEU 53 HD21 LEU 53 8.036 -8.444 -6.908 388 2HD2 LEU 53 HD22 LEU 53 7.276 -8.533 -5.319 389 3HD2 LEU 53 HD23 LEU 53 9.032 -8.604 -5.462 390 H ALA 54 HN ALA 54 4.902 -8.717 -4.399 391 HA ALA 54 HA ALA 54 4.218 -9.411 -1.873 392 1HB ALA 54 HB1 ALA 54 3.842 -11.538 -2.652 393 2HB ALA 54 HB2 ALA 54 5.304 -11.550 -3.637 394 3HB ALA 54 HB3 ALA 54 3.898 -10.625 -4.161 395 H SER 55 HN SER 55 7.420 -9.046 -2.939 396 HA SER 55 HA SER 55 8.640 -11.000 -1.273 397 1HB SER 55 HB2 SER 55 9.554 -9.472 -3.321 398 2HB SER 55 HB1 SER 55 10.213 -8.585 -1.947 399 HG SER 55 HG SER 55 11.188 -10.525 -1.254 400 H TYR 56 HN TYR 56 8.081 -7.524 -0.947 401 HA TYR 56 HA TYR 56 9.223 -7.381 1.670 402 1HB TYR 56 HB2 TYR 56 9.187 -5.340 0.479 403 2HB TYR 56 HB1 TYR 56 7.502 -5.534 0.029 404 HD1 TYR 56 HD1 TYR 56 5.768 -4.701 1.406 405 HD2 TYR 56 HD2 TYR 56 9.762 -4.801 2.868 406 HE1 TYR 56 HE1 TYR 56 5.089 -3.333 3.334 407 HE2 TYR 56 HE2 TYR 56 9.094 -3.435 4.799 408 HH TYR 56 HH TYR 56 7.112 -2.860 6.054 409 H LEU 57 HN LEU 57 5.937 -7.047 0.453 410 HA LEU 57 HA LEU 57 4.578 -7.036 2.838 411 1HB LEU 57 HB2 LEU 57 3.894 -7.098 0.172 412 2HB LEU 57 HB1 LEU 57 3.207 -8.589 0.787 413 HG LEU 57 HG LEU 57 1.820 -7.449 2.314 414 1HD1 LEU 57 HD11 LEU 57 3.616 -5.115 1.795 415 2HD1 LEU 57 HD12 LEU 57 3.137 -5.836 3.332 416 3HD1 LEU 57 HD13 LEU 57 1.981 -4.875 2.412 417 1HD2 LEU 57 HD21 LEU 57 1.296 -5.384 0.425 418 2HD2 LEU 57 HD22 LEU 57 0.414 -6.887 0.690 419 3HD2 LEU 57 HD23 LEU 57 1.758 -6.843 -0.444 420 H ASN 58 HN ASN 58 5.711 -9.846 1.007 421 HA ASN 58 HA ASN 58 4.432 -11.764 2.645 422 1HB ASN 58 HB2 ASN 58 5.237 -12.406 0.457 423 2HB ASN 58 HB1 ASN 58 6.892 -11.996 0.899 424 1HD2 ASN 58 HD21 ASN 58 7.536 -14.104 0.348 425 2HD2 ASN 58 HD22 ASN 58 7.230 -15.438 1.403 426 H THR 59 HN THR 59 7.438 -10.007 2.919 427 HA THR 59 HA THR 59 8.468 -11.666 5.025 428 HB THR 59 HB THR 59 10.269 -10.005 5.179 429 HG1 THR 59 HG1 THR 59 8.995 -8.598 3.093 430 1HG2 THR 59 HG21 THR 59 10.732 -9.942 2.543 431 2HG2 THR 59 HG22 THR 59 9.526 -11.226 2.609 432 3HG2 THR 59 HG23 THR 59 11.011 -11.360 3.551 433 H LEU 60 HN LEU 60 6.483 -8.836 4.815 434 HA LEU 60 HA LEU 60 6.795 -7.476 7.112 435 1HB LEU 60 HB2 LEU 60 4.329 -8.382 5.698 436 2HB LEU 60 HB1 LEU 60 4.159 -7.582 7.248 437 HG LEU 60 HG LEU 60 5.160 -6.466 4.657 438 1HD1 LEU 60 HD11 LEU 60 2.751 -6.346 5.467 439 2HD1 LEU 60 HD12 LEU 60 3.512 -4.829 4.992 440 3HD1 LEU 60 HD13 LEU 60 3.341 -5.231 6.699 441 1HD2 LEU 60 HD21 LEU 60 5.862 -4.440 5.962 442 2HD2 LEU 60 HD22 LEU 60 6.917 -5.843 6.139 443 3HD2 LEU 60 HD23 LEU 60 5.773 -5.429 7.418 444 HA PRO 61 HA PRO 61 6.815 -10.240 10.556 445 1HB PRO 61 HB2 PRO 61 5.625 -8.447 12.355 446 2HB PRO 61 HB1 PRO 61 7.355 -8.626 12.046 447 1HG PRO 61 HG2 PRO 61 5.428 -6.632 10.955 448 2HG PRO 61 HG1 PRO 61 7.135 -6.428 11.387 449 1HD PRO 61 HD2 PRO 61 6.360 -6.613 8.834 450 2HD PRO 61 HD1 PRO 61 7.878 -7.349 9.390 451 H GLU 62 HN GLU 62 5.124 -10.531 12.557 452 HA GLU 62 HA GLU 62 2.966 -11.952 11.522 453 1HB GLU 62 HB2 GLU 62 2.234 -12.230 13.781 454 2HB GLU 62 HB1 GLU 62 3.993 -12.253 13.781 455 1HG GLU 62 HG2 GLU 62 2.597 -9.675 14.279 456 2HG GLU 62 HG1 GLU 62 2.654 -10.881 15.562 457 H ASN 63 HN ASN 63 0.790 -11.319 12.985 458 HA ASN 63 HA ASN 63 -0.766 -9.889 11.440 459 1HB ASN 63 HB2 ASN 63 -2.065 -9.264 13.604 460 2HB ASN 63 HB1 ASN 63 -1.875 -10.958 13.164 461 1HD2 ASN 63 HD21 ASN 63 -1.804 -11.970 15.057 462 2HD2 ASN 63 HD22 ASN 63 -0.696 -11.616 16.336 463 H THR 64 HN THR 64 0.819 -8.210 10.693 464 HA THR 64 HA THR 64 0.919 -5.857 12.438 465 HB THR 64 HB THR 64 2.272 -5.154 10.158 466 HG1 THR 64 HG1 THR 64 3.148 -7.770 10.624 467 1HG2 THR 64 HG21 THR 64 4.133 -5.105 11.439 468 2HG2 THR 64 HG22 THR 64 3.830 -6.689 12.148 469 3HG2 THR 64 HG23 THR 64 2.934 -5.280 12.720 470 H THR 65 HN THR 65 0.515 -3.718 11.417 471 HA THR 65 HA THR 65 -1.730 -3.907 9.527 472 HB THR 65 HB THR 65 -1.405 -1.523 11.246 473 HG1 THR 65 HG1 THR 65 -2.479 -3.945 12.244 474 1HG2 THR 65 HG21 THR 65 -3.998 -2.423 11.428 475 2HG2 THR 65 HG22 THR 65 -3.531 -2.821 9.776 476 3HG2 THR 65 HG23 THR 65 -3.402 -1.160 10.353 477 H LYS 66 HN LYS 66 0.122 -3.835 7.961 478 HA LYS 66 HA LYS 66 1.733 -1.620 7.557 479 1HB LYS 66 HB2 LYS 66 1.612 -3.968 6.377 480 2HB LYS 66 HB1 LYS 66 0.570 -3.121 5.250 481 1HG LYS 66 HG2 LYS 66 2.779 -3.111 4.385 482 2HG LYS 66 HG1 LYS 66 2.369 -1.475 4.882 483 1HD LYS 66 HD2 LYS 66 4.593 -3.017 5.621 484 2HD LYS 66 HD1 LYS 66 4.180 -1.404 6.157 485 1HE LYS 66 HE2 LYS 66 2.721 -3.488 7.586 486 2HE LYS 66 HE1 LYS 66 4.462 -3.650 7.733 487 1HZ LYS 66 HZ1 LYS 66 4.535 -1.946 9.118 488 2HZ LYS 66 HZ2 LYS 66 2.846 -1.944 9.150 489 3HZ LYS 66 HZ3 LYS 66 3.668 -0.947 8.062 490 H THR 67 HN THR 67 1.545 -0.052 5.755 491 HA THR 67 HA THR 67 -1.152 0.657 4.983 492 HB THR 67 HB THR 67 0.576 2.353 6.758 493 HG1 THR 67 HG1 THR 67 -1.106 2.228 8.128 494 1HG2 THR 67 HG21 THR 67 -2.009 3.423 5.822 495 2HG2 THR 67 HG22 THR 67 -0.647 3.523 4.709 496 3HG2 THR 67 HG23 THR 67 -0.538 4.267 6.302 497 H LEU 68 HN LEU 68 -1.193 1.562 3.025 498 HA LEU 68 HA LEU 68 1.349 2.220 1.748 499 1HB LEU 68 HB2 LEU 68 -0.477 0.497 0.888 500 2HB LEU 68 HB1 LEU 68 -1.193 1.954 0.224 501 HG LEU 68 HG LEU 68 0.740 2.382 -1.119 502 1HD1 LEU 68 HD11 LEU 68 1.956 0.259 0.575 503 2HD1 LEU 68 HD12 LEU 68 2.606 1.826 0.094 504 3HD1 LEU 68 HD13 LEU 68 2.544 0.501 -1.066 505 1HD2 LEU 68 HD21 LEU 68 0.348 -0.561 -1.420 506 2HD2 LEU 68 HD22 LEU 68 0.500 0.676 -2.663 507 3HD2 LEU 68 HD23 LEU 68 -0.980 0.546 -1.721 508 H THR 69 HN THR 69 1.325 4.324 2.857 509 HA THR 69 HA THR 69 -0.730 6.174 1.952 510 HB THR 69 HB THR 69 1.588 6.553 3.858 511 HG1 THR 69 HG1 THR 69 -0.686 5.368 4.239 512 1HG2 THR 69 HG21 THR 69 -0.146 8.516 4.481 513 2HG2 THR 69 HG22 THR 69 -0.303 8.478 2.726 514 3HG2 THR 69 HG23 THR 69 1.275 8.730 3.463 515 H PHE 70 HN PHE 70 -0.306 6.548 -0.200 516 HA PHE 70 HA PHE 70 2.311 7.060 -1.211 517 1HB PHE 70 HB2 PHE 70 -0.340 7.833 -2.435 518 2HB PHE 70 HB1 PHE 70 1.184 7.599 -3.267 519 HD1 PHE 70 HD1 PHE 70 -1.787 6.034 -2.031 520 HD2 PHE 70 HD2 PHE 70 2.172 5.294 -3.378 521 HE1 PHE 70 HE1 PHE 70 -2.360 3.672 -2.403 522 HE2 PHE 70 HE2 PHE 70 1.608 2.930 -3.757 523 HZ PHE 70 HZ PHE 70 -0.659 2.117 -3.269 524 H ASP 71 HN ASP 71 3.452 8.797 -0.592 525 HA ASP 71 HA ASP 71 2.236 11.148 0.438 526 1HB ASP 71 HB2 ASP 71 4.522 10.372 1.037 527 2HB ASP 71 HB1 ASP 71 5.062 10.826 -0.570 528 H PHE 72 HN PHE 72 0.969 12.223 -0.809 529 HA PHE 72 HA PHE 72 1.814 12.989 -3.510 530 1HB PHE 72 HB2 PHE 72 -0.789 12.554 -2.184 531 2HB PHE 72 HB1 PHE 72 -0.730 13.931 -3.278 532 HD1 PHE 72 HD1 PHE 72 -2.329 12.945 -4.776 533 HD2 PHE 72 HD2 PHE 72 1.319 10.967 -3.878 534 HE1 PHE 72 HE1 PHE 72 -2.681 11.444 -6.694 535 HE2 PHE 72 HE2 PHE 72 0.979 9.465 -5.791 536 HZ PHE 72 HZ PHE 72 -1.020 9.698 -7.204 537 H GLY 73 HN GLY 73 2.530 14.135 -0.710 538 1HA GLY 73 HA2 GLY 73 3.097 16.210 0.076 539 2HA GLY 73 HA1 GLY 73 2.768 16.828 -1.529 540 H VAL 74 HN VAL 74 0.090 15.180 -0.473 541 HA VAL 74 HA VAL 74 -1.259 17.690 0.174 542 HB VAL 74 HB VAL 74 -3.347 16.461 -0.164 543 1HG1 VAL 74 HG11 VAL 74 -3.248 16.728 -2.388 544 2HG1 VAL 74 HG12 VAL 74 -1.906 15.597 -2.565 545 3HG1 VAL 74 HG13 VAL 74 -1.599 17.267 -2.085 546 1HG2 VAL 74 HG21 VAL 74 -2.785 14.282 0.613 547 2HG2 VAL 74 HG22 VAL 74 -1.523 14.104 -0.597 548 3HG2 VAL 74 HG23 VAL 74 -3.218 14.135 -1.084 549 H GLY 75 HN GLY 75 -0.892 14.384 1.428 550 1HA GLY 75 HA2 GLY 75 -0.895 13.632 3.603 551 2HA GLY 75 HA1 GLY 75 -0.900 15.298 4.135 552 H THR 76 HN THR 76 -3.128 16.363 3.548 553 HA THR 76 HA THR 76 -5.023 15.336 5.280 554 HB THR 76 HB THR 76 -5.439 17.198 2.937 555 HG1 THR 76 HG1 THR 76 -4.956 17.702 5.686 556 1HG2 THR 76 HG21 THR 76 -7.323 16.166 4.888 557 2HG2 THR 76 HG22 THR 76 -7.604 17.075 3.403 558 3HG2 THR 76 HG23 THR 76 -7.214 17.926 4.898 559 H LYS 77 HN LYS 77 -5.552 15.543 1.764 560 HA LYS 77 HA LYS 77 -7.441 13.366 1.923 561 1HB LYS 77 HB2 LYS 77 -8.068 13.928 -0.308 562 2HB LYS 77 HB1 LYS 77 -7.874 15.437 0.572 563 1HG LYS 77 HG2 LYS 77 -5.595 15.647 -0.399 564 2HG LYS 77 HG1 LYS 77 -5.942 14.224 -1.387 565 1HD LYS 77 HD2 LYS 77 -7.392 16.868 -1.426 566 2HD LYS 77 HD1 LYS 77 -6.363 16.200 -2.694 567 1HE LYS 77 HE2 LYS 77 -8.431 15.658 -3.515 568 2HE LYS 77 HE1 LYS 77 -8.068 14.208 -2.582 569 1HZ LYS 77 HZ1 LYS 77 -9.853 14.569 -1.349 570 2HZ LYS 77 HZ2 LYS 77 -10.245 15.912 -2.299 571 3HZ LYS 77 HZ3 LYS 77 -9.302 16.107 -0.909 572 H ASN 78 HN ASN 78 -4.340 13.232 2.046 573 HA ASN 78 HA ASN 78 -3.344 11.851 -0.134 574 1HB ASN 78 HB2 ASN 78 -2.446 12.541 2.430 575 2HB ASN 78 HB1 ASN 78 -2.252 10.795 2.314 576 1HD2 ASN 78 HD21 ASN 78 -1.852 10.722 -0.478 577 2HD2 ASN 78 HD22 ASN 78 -0.291 11.368 -0.800 578 HA PRO 79 HA PRO 79 -5.752 8.109 0.280 579 1HB PRO 79 HB2 PRO 79 -4.424 7.075 -2.063 580 2HB PRO 79 HB1 PRO 79 -6.085 7.630 -1.888 581 1HG PRO 79 HG2 PRO 79 -4.162 8.939 -3.357 582 2HG PRO 79 HG1 PRO 79 -5.617 9.699 -2.697 583 1HD PRO 79 HD2 PRO 79 -2.813 9.779 -1.697 584 2HD PRO 79 HD1 PRO 79 -4.066 11.036 -1.652 585 H LYS 80 HN LYS 80 -4.878 7.199 2.055 586 HA LYS 80 HA LYS 80 -2.448 5.573 1.697 587 1HB LYS 80 HB2 LYS 80 -2.616 5.570 4.322 588 2HB LYS 80 HB1 LYS 80 -1.901 6.933 3.474 589 1HG LYS 80 HG2 LYS 80 -3.721 8.304 3.862 590 2HG LYS 80 HG1 LYS 80 -4.810 6.946 4.142 591 1HD LYS 80 HD2 LYS 80 -3.568 6.445 6.232 592 2HD LYS 80 HD1 LYS 80 -2.603 7.897 5.964 593 1HE LYS 80 HE2 LYS 80 -5.604 7.863 6.237 594 2HE LYS 80 HE1 LYS 80 -4.486 8.224 7.551 595 1HZ LYS 80 HZ1 LYS 80 -4.978 10.311 6.794 596 2HZ LYS 80 HZ2 LYS 80 -5.144 9.826 5.182 597 3HZ LYS 80 HZ3 LYS 80 -3.605 9.980 5.863 598 H LEU 81 HN LEU 81 -2.876 3.492 1.408 599 HA LEU 81 HA LEU 81 -5.422 2.447 2.343 600 1HB LEU 81 HB2 LEU 81 -5.421 1.041 0.593 601 2HB LEU 81 HB1 LEU 81 -4.260 2.181 -0.050 602 HG LEU 81 HG LEU 81 -2.469 0.643 0.987 603 1HD1 LEU 81 HD11 LEU 81 -4.895 -0.777 1.637 604 2HD1 LEU 81 HD12 LEU 81 -3.242 -1.062 2.179 605 3HD1 LEU 81 HD13 LEU 81 -3.806 -1.766 0.666 606 1HD2 LEU 81 HD21 LEU 81 -2.400 -0.701 -1.000 607 2HD2 LEU 81 HD22 LEU 81 -2.935 0.919 -1.425 608 3HD2 LEU 81 HD23 LEU 81 -4.107 -0.389 -1.315 609 H THR 82 HN THR 82 -5.509 1.497 4.251 610 HA THR 82 HA THR 82 -3.195 0.624 5.636 611 HB THR 82 HB THR 82 -6.041 -0.112 6.304 612 HG1 THR 82 HG1 THR 82 -4.651 2.304 6.754 613 1HG2 THR 82 HG21 THR 82 -4.136 0.678 8.391 614 2HG2 THR 82 HG22 THR 82 -3.812 -0.860 7.601 615 3HG2 THR 82 HG23 THR 82 -5.363 -0.582 8.389 616 H ILE 83 HN ILE 83 -2.072 -1.099 5.121 617 HA ILE 83 HA ILE 83 -3.405 -3.448 3.996 618 HB ILE 83 HB ILE 83 -0.572 -2.479 4.011 619 1HG1 ILE 83 HG12 ILE 83 -2.716 -2.992 2.067 620 2HG1 ILE 83 HG11 ILE 83 -1.374 -1.856 1.992 621 1HG2 ILE 83 HG21 ILE 83 -0.366 -4.757 4.803 622 2HG2 ILE 83 HG22 ILE 83 0.169 -4.662 3.126 623 3HG2 ILE 83 HG23 ILE 83 -1.413 -5.335 3.504 624 1HD1 ILE 83 HD11 ILE 83 -1.334 -4.778 1.290 625 2HD1 ILE 83 HD12 ILE 83 0.100 -3.761 1.376 626 3HD1 ILE 83 HD13 ILE 83 -1.157 -3.404 0.196 627 H THR 84 HN THR 84 -4.049 -4.932 5.396 628 HA THR 84 HA THR 84 -2.659 -5.214 7.954 629 HB THR 84 HB THR 84 -5.035 -6.878 7.433 630 HG1 THR 84 HG1 THR 84 -6.456 -5.240 7.346 631 1HG2 THR 84 HG21 THR 84 -5.709 -6.181 9.609 632 2HG2 THR 84 HG22 THR 84 -4.483 -4.911 9.638 633 3HG2 THR 84 HG23 THR 84 -3.998 -6.609 9.670 634 H VAL 85 HN VAL 85 -1.044 -6.627 8.017 635 HA VAL 85 HA VAL 85 -1.199 -9.021 6.325 636 HB VAL 85 HB VAL 85 0.810 -7.978 5.839 637 1HG1 VAL 85 HG11 VAL 85 2.355 -7.381 7.920 638 2HG1 VAL 85 HG12 VAL 85 0.781 -7.201 8.698 639 3HG1 VAL 85 HG13 VAL 85 1.172 -6.247 7.266 640 1HG2 VAL 85 HG21 VAL 85 2.256 -9.659 6.201 641 2HG2 VAL 85 HG22 VAL 85 0.881 -10.436 6.985 642 3HG2 VAL 85 HG23 VAL 85 2.076 -9.572 7.952 643 H LEU 86 HN LEU 86 -1.637 -10.899 7.216 644 HA LEU 86 HA LEU 86 -1.660 -11.126 10.124 645 1HB LEU 86 HB2 LEU 86 -2.953 -12.579 7.877 646 2HB LEU 86 HB1 LEU 86 -2.648 -13.480 9.348 647 HG LEU 86 HG LEU 86 -4.211 -10.901 9.236 648 1HD1 LEU 86 HD11 LEU 86 -5.909 -12.988 9.929 649 2HD1 LEU 86 HD12 LEU 86 -4.973 -13.603 8.565 650 3HD1 LEU 86 HD13 LEU 86 -5.884 -12.102 8.405 651 1HD2 LEU 86 HD21 LEU 86 -3.095 -11.459 11.392 652 2HD2 LEU 86 HD22 LEU 86 -4.015 -12.962 11.425 653 3HD2 LEU 86 HD23 LEU 86 -4.856 -11.413 11.486 654 HA PRO 87 HA PRO 87 1.865 -13.730 10.465 655 1HB PRO 87 HB2 PRO 87 1.116 -15.603 12.267 656 2HB PRO 87 HB1 PRO 87 1.386 -13.915 12.710 657 1HG PRO 87 HG2 PRO 87 -1.185 -15.343 12.173 658 2HG PRO 87 HG1 PRO 87 -0.793 -14.184 13.459 659 1HD PRO 87 HD2 PRO 87 -2.153 -13.493 11.210 660 2HD PRO 87 HD1 PRO 87 -1.097 -12.365 12.082 661 H LYS 88 HN LYS 88 2.683 -16.006 10.298 662 HA LYS 88 HA LYS 88 1.705 -17.231 7.951 663 1HB LYS 88 HB2 LYS 88 3.947 -17.536 9.719 664 2HB LYS 88 HB1 LYS 88 3.277 -19.114 9.342 665 1HG LYS 88 HG2 LYS 88 4.281 -19.085 7.376 666 2HG LYS 88 HG1 LYS 88 3.412 -17.613 6.937 667 1HD LYS 88 HD2 LYS 88 5.864 -17.516 8.665 668 2HD LYS 88 HD1 LYS 88 5.986 -17.567 6.904 669 1HE LYS 88 HE2 LYS 88 4.119 -15.615 7.279 670 2HE LYS 88 HE1 LYS 88 5.164 -15.384 8.681 671 1HZ LYS 88 HZ1 LYS 88 5.898 -14.066 6.791 672 2HZ LYS 88 HZ2 LYS 88 6.068 -15.464 5.852 673 3HZ LYS 88 HZ3 LYS 88 7.062 -15.225 7.200 674 H ASP 89 HN ASP 89 1.198 -19.601 7.842 675 HA ASP 89 HA ASP 89 -0.552 -20.408 10.064 676 1HB ASP 89 HB2 ASP 89 -1.965 -19.596 8.267 677 2HB ASP 89 HB1 ASP 89 -1.126 -20.613 7.100 678 H ILE 90 HN ILE 90 -0.656 -22.594 10.533 679 HA ILE 90 HA ILE 90 1.479 -24.205 9.332 680 HB ILE 90 HB ILE 90 -0.024 -24.848 11.860 681 1HG1 ILE 90 HG12 ILE 90 0.946 -22.708 12.278 682 2HG1 ILE 90 HG11 ILE 90 2.006 -23.897 13.025 683 1HG2 ILE 90 HG21 ILE 90 1.102 -26.754 11.576 684 2HG2 ILE 90 HG22 ILE 90 2.521 -25.828 12.070 685 3HG2 ILE 90 HG23 ILE 90 2.164 -26.049 10.358 686 1HD1 ILE 90 HD11 ILE 90 3.615 -23.667 11.314 687 2HD1 ILE 90 HD12 ILE 90 3.136 -22.036 11.779 688 3HD1 ILE 90 HD13 ILE 90 2.504 -22.753 10.296 689 HA PRO 91 HA PRO 91 -2.168 -26.185 7.416 690 1HB PRO 91 HB2 PRO 91 -0.795 -27.195 5.306 691 2HB PRO 91 HB1 PRO 91 -1.395 -25.533 5.353 692 1HG PRO 91 HG2 PRO 91 1.351 -26.569 5.915 693 2HG PRO 91 HG1 PRO 91 0.862 -25.136 4.991 694 1HD PRO 91 HD2 PRO 91 1.745 -24.991 7.545 695 2HD PRO 91 HD1 PRO 91 0.535 -23.869 6.889 696 H GLY 92 HN GLY 92 -2.731 -27.978 8.495 697 1HA GLY 92 HA2 GLY 92 -0.748 -30.153 8.714 698 2HA GLY 92 HA1 GLY 92 -2.069 -29.891 9.845 699 H LEU 93 HN LEU 93 -2.378 -29.721 6.349 700 HA LEU 93 HA LEU 93 -3.483 -31.018 4.837 701 1HB LEU 93 HB2 LEU 93 -2.145 -32.834 6.239 702 2HB LEU 93 HB1 LEU 93 -3.761 -33.284 6.748 703 HG LEU 93 HG LEU 93 -2.908 -33.115 3.860 704 1HD1 LEU 93 HD11 LEU 93 -1.891 -34.917 5.566 705 2HD1 LEU 93 HD12 LEU 93 -2.240 -35.271 3.876 706 3HD1 LEU 93 HD13 LEU 93 -3.390 -35.733 5.131 707 1HD2 LEU 93 HD21 LEU 93 -5.407 -33.825 5.292 708 2HD2 LEU 93 HD22 LEU 93 -4.984 -34.771 3.863 709 3HD2 LEU 93 HD23 LEU 93 -5.178 -33.021 3.738 710 H GLU 94 HN GLU 94 -5.271 -29.593 5.063 711 HA GLU 94 HA GLU 94 -7.419 -30.438 6.854 712 1HB GLU 94 HB2 GLU 94 -8.520 -28.315 5.896 713 2HB GLU 94 HB1 GLU 94 -7.142 -28.118 6.970 714 1HG GLU 94 HG2 GLU 94 -6.627 -28.262 4.051 715 2HG GLU 94 HG1 GLU 94 -7.352 -26.793 4.699 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -5.200 22.492 -2.385 2 2H MET 1 HT2 MET 1 -5.000 21.630 -0.913 3 3H MET 1 HT3 MET 1 -6.187 22.863 -1.033 4 HA MET 1 HA MET 1 -6.845 20.411 -1.189 5 1HB MET 1 HB2 MET 1 -8.693 21.114 -2.695 6 2HB MET 1 HB1 MET 1 -8.369 22.278 -1.419 7 1HG MET 1 HG2 MET 1 -6.800 22.930 -3.714 8 2HG MET 1 HG1 MET 1 -8.484 22.722 -4.190 9 1HE MET 1 HE1 MET 1 -10.306 24.586 -3.832 10 2HE MET 1 HE2 MET 1 -8.980 25.004 -4.919 11 3HE MET 1 HE3 MET 1 -9.587 26.194 -3.765 12 H GLN 2 HN GLN 2 -6.829 18.622 -2.446 13 HA GLN 2 HA GLN 2 -5.829 18.819 -5.190 14 1HB GLN 2 HB2 GLN 2 -4.781 16.586 -3.512 15 2HB GLN 2 HB1 GLN 2 -4.071 17.352 -4.925 16 1HG GLN 2 HG2 GLN 2 -2.708 17.965 -3.125 17 2HG GLN 2 HG1 GLN 2 -3.696 19.384 -3.470 18 1HE2 GLN 2 HE21 GLN 2 -3.692 20.303 -1.489 19 2HE2 GLN 2 HE22 GLN 2 -4.371 19.577 -0.079 20 H ASP 3 HN ASP 3 -6.362 17.008 -6.519 21 HA ASP 3 HA ASP 3 -8.533 15.342 -5.427 22 1HB ASP 3 HB2 ASP 3 -9.404 15.365 -7.841 23 2HB ASP 3 HB1 ASP 3 -9.617 16.835 -6.891 24 HA PRO 4 HA PRO 4 -5.173 12.703 -7.418 25 1HB PRO 4 HB2 PRO 4 -4.146 11.551 -5.217 26 2HB PRO 4 HB1 PRO 4 -3.584 13.128 -5.785 27 1HG PRO 4 HG2 PRO 4 -5.510 12.481 -3.587 28 2HG PRO 4 HG1 PRO 4 -4.202 13.676 -3.610 29 1HD PRO 4 HD2 PRO 4 -6.833 14.300 -4.031 30 2HD PRO 4 HD1 PRO 4 -5.482 15.233 -4.703 31 H THR 5 HN THR 5 -5.570 10.569 -7.952 32 HA THR 5 HA THR 5 -7.472 9.117 -6.247 33 HB THR 5 HB THR 5 -7.688 9.123 -9.253 34 HG1 THR 5 HG1 THR 5 -8.840 10.799 -7.329 35 1HG2 THR 5 HG21 THR 5 -8.817 7.445 -7.351 36 2HG2 THR 5 HG22 THR 5 -9.302 7.632 -9.036 37 3HG2 THR 5 HG23 THR 5 -10.094 8.584 -7.778 38 H ILE 6 HN ILE 6 -5.996 7.673 -5.472 39 HA ILE 6 HA ILE 6 -4.653 5.999 -7.482 40 HB ILE 6 HB ILE 6 -2.825 5.691 -6.113 41 1HG1 ILE 6 HG12 ILE 6 -4.412 6.672 -3.727 42 2HG1 ILE 6 HG11 ILE 6 -4.121 4.978 -4.107 43 1HG2 ILE 6 HG21 ILE 6 -3.691 8.302 -6.519 44 2HG2 ILE 6 HG22 ILE 6 -2.051 7.773 -6.157 45 3HG2 ILE 6 HG23 ILE 6 -3.123 8.269 -4.851 46 1HD1 ILE 6 HD11 ILE 6 -1.654 5.520 -3.973 47 2HD1 ILE 6 HD12 ILE 6 -2.558 5.540 -2.459 48 3HD1 ILE 6 HD13 ILE 6 -2.139 7.057 -3.256 49 H ASN 7 HN ASN 7 -4.120 3.747 -6.533 50 HA ASN 7 HA ASN 7 -6.304 2.174 -6.357 51 1HB ASN 7 HB2 ASN 7 -4.928 0.460 -5.420 52 2HB ASN 7 HB1 ASN 7 -3.884 1.444 -6.436 53 1HD2 ASN 7 HD21 ASN 7 -3.065 3.468 -5.051 54 2HD2 ASN 7 HD22 ASN 7 -2.310 3.015 -3.568 55 HA PRO 8 HA PRO 8 -8.660 2.248 -2.731 56 1HB PRO 8 HB2 PRO 8 -7.395 -0.331 -1.896 57 2HB PRO 8 HB1 PRO 8 -9.104 0.123 -1.907 58 1HG PRO 8 HG2 PRO 8 -8.116 -1.404 -3.841 59 2HG PRO 8 HG1 PRO 8 -9.292 -0.128 -4.210 60 1HD PRO 8 HD2 PRO 8 -6.360 -0.203 -4.702 61 2HD PRO 8 HD1 PRO 8 -7.636 0.591 -5.636 62 H THR 9 HN THR 9 -8.530 2.154 -0.275 63 HA THR 9 HA THR 9 -5.863 3.039 0.570 64 HB THR 9 HB THR 9 -8.082 3.929 2.234 65 HG1 THR 9 HG1 THR 9 -9.057 5.229 0.770 66 1HG2 THR 9 HG21 THR 9 -5.570 4.951 1.234 67 2HG2 THR 9 HG22 THR 9 -6.480 5.393 2.680 68 3HG2 THR 9 HG23 THR 9 -6.867 6.145 1.132 69 H SER 10 HN SER 10 -7.710 0.409 0.808 70 HA SER 10 HA SER 10 -6.494 -0.399 3.278 71 1HB SER 10 HB2 SER 10 -9.466 -0.657 3.343 72 2HB SER 10 HB1 SER 10 -8.319 -0.552 4.676 73 HG SER 10 HG SER 10 -8.044 1.667 4.122 74 H ILE 11 HN ILE 11 -6.170 -2.532 3.354 75 HA ILE 11 HA ILE 11 -7.840 -4.393 1.911 76 HB ILE 11 HB ILE 11 -5.838 -5.406 0.769 77 1HG1 ILE 11 HG12 ILE 11 -4.641 -2.780 1.622 78 2HG1 ILE 11 HG11 ILE 11 -4.004 -4.400 1.877 79 1HG2 ILE 11 HG21 ILE 11 -7.647 -3.691 -0.147 80 2HG2 ILE 11 HG22 ILE 11 -6.336 -4.309 -1.153 81 3HG2 ILE 11 HG23 ILE 11 -6.202 -2.714 -0.407 82 1HD1 ILE 11 HD11 ILE 11 -3.345 -4.603 -0.361 83 2HD1 ILE 11 HD12 ILE 11 -2.858 -2.983 0.131 84 3HD1 ILE 11 HD13 ILE 11 -4.299 -3.205 -0.852 85 H SER 12 HN SER 12 -7.098 -6.680 2.324 86 HA SER 12 HA SER 12 -5.407 -6.937 4.700 87 1HB SER 12 HB2 SER 12 -7.624 -8.714 5.018 88 2HB SER 12 HB1 SER 12 -7.088 -7.418 6.085 89 HG SER 12 HG SER 12 -8.466 -6.035 5.127 90 H ALA 13 HN ALA 13 -4.231 -8.768 4.791 91 HA ALA 13 HA ALA 13 -4.859 -11.172 3.438 92 1HB ALA 13 HB1 ALA 13 -3.717 -9.199 1.803 93 2HB ALA 13 HB2 ALA 13 -3.951 -10.907 1.427 94 3HB ALA 13 HB3 ALA 13 -2.432 -10.360 2.139 95 H LYS 14 HN LYS 14 -3.444 -12.855 4.004 96 HA LYS 14 HA LYS 14 -1.913 -12.410 6.366 97 1HB LYS 14 HB2 LYS 14 -2.952 -14.524 6.219 98 2HB LYS 14 HB1 LYS 14 -2.348 -14.806 4.596 99 1HG LYS 14 HG2 LYS 14 -0.045 -14.922 5.555 100 2HG LYS 14 HG1 LYS 14 -0.779 -14.852 7.159 101 1HD LYS 14 HD2 LYS 14 -1.077 -17.052 7.090 102 2HD LYS 14 HD1 LYS 14 -2.160 -16.842 5.712 103 1HE LYS 14 HE2 LYS 14 0.609 -16.643 4.920 104 2HE LYS 14 HE1 LYS 14 0.286 -18.169 5.742 105 1HZ LYS 14 HZ1 LYS 14 -0.889 -17.126 3.251 106 2HZ LYS 14 HZ2 LYS 14 -1.725 -18.273 4.170 107 3HZ LYS 14 HZ3 LYS 14 -0.195 -18.640 3.547 108 H ALA 15 HN ALA 15 0.324 -12.404 6.645 109 HA ALA 15 HA ALA 15 1.819 -11.266 4.608 110 1HB ALA 15 HB1 ALA 15 3.299 -12.832 6.650 111 2HB ALA 15 HB2 ALA 15 2.276 -11.511 7.217 112 3HB ALA 15 HB3 ALA 15 3.576 -11.188 6.066 113 H GLY 16 HN GLY 16 2.026 -12.115 2.769 114 1HA GLY 16 HA2 GLY 16 3.657 -13.661 1.610 115 2HA GLY 16 HA1 GLY 16 2.845 -14.932 2.523 116 H SER 17 HN SER 17 0.227 -13.909 2.384 117 HA SER 17 HA SER 17 -0.541 -14.849 -0.194 118 1HB SER 17 HB2 SER 17 -2.715 -13.591 1.026 119 2HB SER 17 HB1 SER 17 -2.333 -15.305 1.073 120 HG SER 17 HG SER 17 -1.265 -14.993 2.991 121 H PHE 18 HN PHE 18 1.026 -12.242 0.378 122 HA PHE 18 HA PHE 18 -0.703 -10.290 -0.885 123 1HB PHE 18 HB2 PHE 18 1.888 -10.225 0.587 124 2HB PHE 18 HB1 PHE 18 1.379 -8.860 -0.376 125 HD1 PHE 18 HD1 PHE 18 -1.151 -8.121 0.095 126 HD2 PHE 18 HD2 PHE 18 1.379 -10.193 2.812 127 HE1 PHE 18 HE1 PHE 18 -2.517 -7.318 1.978 128 HE2 PHE 18 HE2 PHE 18 0.018 -9.396 4.696 129 HZ PHE 18 HZ PHE 18 -1.929 -7.956 4.283 130 H ALA 19 HN ALA 19 -0.589 -11.535 -2.912 131 HA ALA 19 HA ALA 19 1.865 -11.786 -4.325 132 1HB ALA 19 HB1 ALA 19 0.637 -12.699 -6.027 133 2HB ALA 19 HB2 ALA 19 -0.693 -11.566 -5.820 134 3HB ALA 19 HB3 ALA 19 -0.497 -12.916 -4.698 135 H ASP 20 HN ASP 20 2.521 -10.573 -6.222 136 HA ASP 20 HA ASP 20 2.930 -7.955 -5.971 137 1HB ASP 20 HB2 ASP 20 3.749 -9.356 -7.867 138 2HB ASP 20 HB1 ASP 20 2.171 -9.180 -8.626 139 H THR 21 HN THR 21 1.599 -6.346 -5.398 140 HA THR 21 HA THR 21 -1.097 -6.331 -6.596 141 HB THR 21 HB THR 21 -0.340 -4.677 -4.216 142 HG1 THR 21 HG1 THR 21 -0.874 -7.448 -4.265 143 1HG2 THR 21 HG21 THR 21 -2.699 -5.307 -3.566 144 2HG2 THR 21 HG22 THR 21 -2.880 -5.915 -5.210 145 3HG2 THR 21 HG23 THR 21 -2.519 -4.212 -4.935 146 H LYS 22 HN LYS 22 -0.965 -5.120 -8.416 147 HA LYS 22 HA LYS 22 0.693 -2.857 -8.657 148 1HB LYS 22 HB2 LYS 22 -1.343 -2.644 -10.591 149 2HB LYS 22 HB1 LYS 22 0.292 -3.225 -10.821 150 1HG LYS 22 HG2 LYS 22 -1.960 -5.004 -9.939 151 2HG LYS 22 HG1 LYS 22 -1.537 -4.735 -11.632 152 1HD LYS 22 HD2 LYS 22 0.581 -5.726 -11.364 153 2HD LYS 22 HD1 LYS 22 0.470 -5.672 -9.603 154 1HE LYS 22 HE2 LYS 22 -0.880 -7.512 -11.533 155 2HE LYS 22 HE1 LYS 22 0.041 -7.900 -10.082 156 1HZ LYS 22 HZ1 LYS 22 -1.803 -6.839 -8.797 157 2HZ LYS 22 HZ2 LYS 22 -2.222 -8.274 -9.590 158 3HZ LYS 22 HZ3 LYS 22 -2.698 -6.784 -10.234 159 H ILE 23 HN ILE 23 0.018 -0.727 -9.035 160 HA ILE 23 HA ILE 23 -2.529 0.095 -7.905 161 HB ILE 23 HB ILE 23 0.135 0.792 -6.820 162 1HG1 ILE 23 HG12 ILE 23 -2.468 -0.046 -5.573 163 2HG1 ILE 23 HG11 ILE 23 -1.028 -1.037 -5.762 164 1HG2 ILE 23 HG21 ILE 23 -2.371 2.415 -6.506 165 2HG2 ILE 23 HG22 ILE 23 -0.861 2.938 -7.247 166 3HG2 ILE 23 HG23 ILE 23 -0.927 2.610 -5.515 167 1HD1 ILE 23 HD11 ILE 23 -1.364 -0.177 -3.467 168 2HD1 ILE 23 HD12 ILE 23 -1.147 1.453 -4.092 169 3HD1 ILE 23 HD13 ILE 23 0.171 0.290 -4.185 170 H THR 24 HN THR 24 -3.243 2.134 -8.587 171 HA THR 24 HA THR 24 -1.579 3.414 -10.650 172 HB THR 24 HB THR 24 -3.524 2.074 -11.491 173 HG1 THR 24 HG1 THR 24 -2.911 3.467 -12.974 174 1HG2 THR 24 HG21 THR 24 -5.698 2.631 -11.182 175 2HG2 THR 24 HG22 THR 24 -5.329 4.322 -10.841 176 3HG2 THR 24 HG23 THR 24 -5.053 3.091 -9.608 177 H LEU 25 HN LEU 25 -0.842 5.127 -9.541 178 HA LEU 25 HA LEU 25 -2.498 6.691 -7.826 179 1HB LEU 25 HB2 LEU 25 0.200 7.451 -8.859 180 2HB LEU 25 HB1 LEU 25 -0.536 7.822 -7.333 181 HG LEU 25 HG LEU 25 -0.103 4.965 -7.780 182 1HD1 LEU 25 HD11 LEU 25 1.917 6.359 -8.747 183 2HD1 LEU 25 HD12 LEU 25 2.175 4.906 -7.781 184 3HD1 LEU 25 HD13 LEU 25 2.326 6.499 -7.037 185 1HD2 LEU 25 HD21 LEU 25 -0.280 4.981 -5.570 186 2HD2 LEU 25 HD22 LEU 25 -0.538 6.725 -5.638 187 3HD2 LEU 25 HD23 LEU 25 1.085 6.082 -5.429 188 H THR 26 HN THR 26 -4.114 7.714 -9.019 189 HA THR 26 HA THR 26 -3.626 8.978 -11.525 190 HB THR 26 HB THR 26 -5.899 9.451 -9.589 191 HG1 THR 26 HG1 THR 26 -6.968 7.881 -10.752 192 1HG2 THR 26 HG21 THR 26 -5.317 10.543 -12.211 193 2HG2 THR 26 HG22 THR 26 -6.519 11.032 -11.015 194 3HG2 THR 26 HG23 THR 26 -6.876 9.720 -12.138 195 HA PRO 27 HA PRO 27 -1.830 12.642 -9.598 196 1HB PRO 27 HB2 PRO 27 -0.276 13.325 -11.592 197 2HB PRO 27 HB1 PRO 27 0.004 11.780 -10.777 198 1HG PRO 27 HG2 PRO 27 -1.472 12.297 -13.336 199 2HG PRO 27 HG1 PRO 27 -0.195 11.113 -13.022 200 1HD PRO 27 HD2 PRO 27 -2.877 10.535 -12.923 201 2HD PRO 27 HD1 PRO 27 -1.635 9.638 -12.025 202 H ASN 28 HN ASN 28 -4.117 12.360 -11.911 203 HA ASN 28 HA ASN 28 -4.399 14.370 -13.516 204 1HB ASN 28 HB2 ASN 28 -6.137 12.523 -12.446 205 2HB ASN 28 HB1 ASN 28 -6.873 14.060 -12.005 206 1HD2 ASN 28 HD21 ASN 28 -5.656 12.159 -14.698 207 2HD2 ASN 28 HD22 ASN 28 -6.641 12.901 -15.909 208 H GLY 29 HN GLY 29 -3.028 15.797 -12.280 209 1HA GLY 29 HA2 GLY 29 -3.295 18.195 -11.854 210 2HA GLY 29 HA1 GLY 29 -4.643 17.785 -10.810 211 H ASN 30 HN ASN 30 -3.121 15.493 -9.717 212 HA ASN 30 HA ASN 30 -1.382 16.988 -7.884 213 1HB ASN 30 HB2 ASN 30 -2.261 14.354 -6.987 214 2HB ASN 30 HB1 ASN 30 -2.326 15.902 -6.162 215 1HD2 ASN 30 HD21 ASN 30 -3.917 14.049 -8.716 216 2HD2 ASN 30 HD22 ASN 30 -5.502 14.665 -8.416 217 H THR 31 HN THR 31 0.335 15.607 -6.862 218 HA THR 31 HA THR 31 1.401 13.623 -8.747 219 HB THR 31 HB THR 31 2.625 15.629 -9.218 220 HG1 THR 31 HG1 THR 31 4.265 14.150 -7.454 221 1HG2 THR 31 HG21 THR 31 2.581 17.184 -7.600 222 2HG2 THR 31 HG22 THR 31 4.095 16.419 -7.119 223 3HG2 THR 31 HG23 THR 31 2.592 15.992 -6.300 224 H PHE 32 HN PHE 32 2.968 12.164 -7.813 225 HA PHE 32 HA PHE 32 2.676 11.873 -4.897 226 1HB PHE 32 HB2 PHE 32 1.368 10.126 -5.796 227 2HB PHE 32 HB1 PHE 32 2.537 9.789 -7.068 228 HD1 PHE 32 HD1 PHE 32 2.302 9.790 -3.344 229 HD2 PHE 32 HD2 PHE 32 3.895 7.958 -6.839 230 HE1 PHE 32 HE1 PHE 32 3.309 8.023 -1.961 231 HE2 PHE 32 HE2 PHE 32 4.902 6.188 -5.460 232 HZ PHE 32 HZ PHE 32 4.609 6.221 -3.016 233 H ASN 33 HN ASN 33 4.449 10.844 -3.797 234 HA ASN 33 HA ASN 33 6.997 11.102 -5.254 235 1HB ASN 33 HB2 ASN 33 6.136 12.428 -2.921 236 2HB ASN 33 HB1 ASN 33 7.330 11.245 -2.393 237 1HD2 ASN 33 HD21 ASN 33 7.527 14.124 -2.407 238 2HD2 ASN 33 HD22 ASN 33 8.884 14.521 -3.400 239 H GLY 34 HN GLY 34 5.909 9.613 -2.193 240 1HA GLY 34 HA2 GLY 34 6.407 6.952 -3.056 241 2HA GLY 34 HA1 GLY 34 7.778 7.563 -2.151 242 H ILE 35 HN ILE 35 6.547 5.406 -1.155 243 HA ILE 35 HA ILE 35 4.776 6.395 0.972 244 HB ILE 35 HB ILE 35 5.292 3.495 0.474 245 1HG1 ILE 35 HG12 ILE 35 3.318 5.243 -1.000 246 2HG1 ILE 35 HG11 ILE 35 4.661 4.349 -1.704 247 1HG2 ILE 35 HG21 ILE 35 2.757 3.608 1.202 248 2HG2 ILE 35 HG22 ILE 35 3.277 5.147 1.887 249 3HG2 ILE 35 HG23 ILE 35 4.063 3.648 2.382 250 1HD1 ILE 35 HD11 ILE 35 1.975 3.478 -1.059 251 2HD1 ILE 35 HD12 ILE 35 3.211 2.401 -0.414 252 3HD1 ILE 35 HD13 ILE 35 3.172 2.763 -2.138 253 H SER 36 HN SER 36 6.174 7.166 2.446 254 HA SER 36 HA SER 36 8.638 5.956 3.160 255 1HB SER 36 HB2 SER 36 8.776 7.564 4.902 256 2HB SER 36 HB1 SER 36 7.890 8.374 3.611 257 HG SER 36 HG SER 36 6.923 8.632 5.696 258 H GLU 37 HN GLU 37 5.357 5.461 4.221 259 HA GLU 37 HA GLU 37 5.759 4.155 6.630 260 1HB GLU 37 HB2 GLU 37 3.618 4.673 5.064 261 2HB GLU 37 HB1 GLU 37 3.820 2.963 4.737 262 1HG GLU 37 HG2 GLU 37 3.150 2.350 6.805 263 2HG GLU 37 HG1 GLU 37 3.886 3.760 7.573 264 H LEU 38 HN LEU 38 6.446 3.271 3.372 265 HA LEU 38 HA LEU 38 7.911 0.942 4.246 266 1HB LEU 38 HB2 LEU 38 6.863 -0.189 2.098 267 2HB LEU 38 HB1 LEU 38 6.128 -0.338 3.677 268 HG LEU 38 HG LEU 38 5.029 1.975 2.510 269 1HD1 LEU 38 HD11 LEU 38 4.181 -0.007 0.615 270 2HD1 LEU 38 HD12 LEU 38 5.915 0.272 0.477 271 3HD1 LEU 38 HD13 LEU 38 4.787 1.621 0.333 272 1HD2 LEU 38 HD21 LEU 38 4.010 0.345 4.106 273 2HD2 LEU 38 HD22 LEU 38 3.795 -0.758 2.752 274 3HD2 LEU 38 HD23 LEU 38 2.968 0.794 2.756 275 H GLN 39 HN GLN 39 9.760 1.994 3.673 276 HA GLN 39 HA GLN 39 10.549 3.632 1.846 277 1HB GLN 39 HB2 GLN 39 12.096 2.552 3.397 278 2HB GLN 39 HB1 GLN 39 12.015 1.068 2.459 279 1HG GLN 39 HG2 GLN 39 13.641 1.762 1.138 280 2HG GLN 39 HG1 GLN 39 12.738 3.223 0.737 281 1HE2 GLN 39 HE21 GLN 39 14.064 2.163 3.834 282 2HE2 GLN 39 HE22 GLN 39 15.117 3.515 4.050 283 H SER 40 HN SER 40 9.465 3.694 0.171 284 HA SER 40 HA SER 40 8.310 2.650 -1.736 285 1HB SER 40 HB2 SER 40 10.104 4.694 -1.856 286 2HB SER 40 HB1 SER 40 10.768 3.577 -3.049 287 HG SER 40 HG SER 40 8.324 4.935 -3.040 288 H SER 41 HN SER 41 11.675 1.679 -1.352 289 HA SER 41 HA SER 41 11.956 -0.028 -3.494 290 1HB SER 41 HB2 SER 41 13.941 -0.118 -2.431 291 2HB SER 41 HB1 SER 41 13.211 0.267 -0.876 292 HG SER 41 HG SER 41 14.136 -1.813 -0.871 293 H GLN 42 HN GLN 42 9.957 -0.389 -0.703 294 HA GLN 42 HA GLN 42 9.600 -3.142 -0.602 295 1HB GLN 42 HB2 GLN 42 7.431 -1.147 -0.037 296 2HB GLN 42 HB1 GLN 42 7.772 -2.649 0.767 297 1HG GLN 42 HG2 GLN 42 9.101 -0.024 1.077 298 2HG GLN 42 HG1 GLN 42 8.476 -1.116 2.307 299 1HE2 GLN 42 HE21 GLN 42 9.758 -2.715 3.111 300 2HE2 GLN 42 HE22 GLN 42 11.433 -2.881 2.725 301 H TYR 43 HN TYR 43 8.295 -0.729 -2.698 302 HA TYR 43 HA TYR 43 6.784 -2.786 -4.154 303 1HB TYR 43 HB2 TYR 43 5.180 -0.997 -4.807 304 2HB TYR 43 HB1 TYR 43 5.176 -1.361 -3.089 305 HD1 TYR 43 HD1 TYR 43 5.551 0.317 -1.507 306 HD2 TYR 43 HD2 TYR 43 6.441 1.060 -5.597 307 HE1 TYR 43 HE1 TYR 43 5.886 2.697 -0.997 308 HE2 TYR 43 HE2 TYR 43 6.777 3.442 -5.094 309 HH TYR 43 HH TYR 43 6.415 5.065 -3.533 310 H THR 44 HN THR 44 6.079 -1.401 -6.312 311 HA THR 44 HA THR 44 8.598 -0.632 -7.583 312 HB THR 44 HB THR 44 6.464 -1.816 -9.261 313 HG1 THR 44 HG1 THR 44 7.044 -3.917 -8.666 314 1HG2 THR 44 HG21 THR 44 8.985 -1.137 -9.799 315 2HG2 THR 44 HG22 THR 44 8.134 -2.433 -10.637 316 3HG2 THR 44 HG23 THR 44 9.234 -2.815 -9.315 317 H LYS 45 HN LYS 45 8.158 1.499 -7.222 318 HA LYS 45 HA LYS 45 5.748 2.798 -7.937 319 1HB LYS 45 HB2 LYS 45 7.796 4.713 -8.075 320 2HB LYS 45 HB1 LYS 45 6.708 4.417 -6.734 321 1HG LYS 45 HG2 LYS 45 8.915 4.394 -5.879 322 2HG LYS 45 HG1 LYS 45 8.364 2.718 -5.901 323 1HD LYS 45 HD2 LYS 45 10.439 2.461 -6.830 324 2HD LYS 45 HD1 LYS 45 9.494 2.751 -8.291 325 1HE LYS 45 HE2 LYS 45 10.552 4.673 -8.714 326 2HE LYS 45 HE1 LYS 45 10.409 5.211 -7.042 327 1HZ LYS 45 HZ1 LYS 45 12.547 3.623 -8.299 328 2HZ LYS 45 HZ2 LYS 45 12.285 3.517 -6.632 329 3HZ LYS 45 HZ3 LYS 45 12.674 5.005 -7.331 330 H GLY 46 HN GLY 46 5.514 4.441 -9.596 331 1HA GLY 46 HA2 GLY 46 7.257 4.531 -11.848 332 2HA GLY 46 HA1 GLY 46 5.863 3.504 -12.160 333 H THR 47 HN THR 47 6.834 6.751 -11.177 334 HA THR 47 HA THR 47 5.381 8.626 -10.955 335 HB THR 47 HB THR 47 5.862 8.105 -13.893 336 HG1 THR 47 HG1 THR 47 7.837 8.454 -13.326 337 1HG2 THR 47 HG21 THR 47 4.999 10.572 -12.445 338 2HG2 THR 47 HG22 THR 47 4.373 9.876 -13.938 339 3HG2 THR 47 HG23 THR 47 5.947 10.668 -13.927 340 H ASN 48 HN ASN 48 3.343 8.311 -10.224 341 HA ASN 48 HA ASN 48 1.060 8.492 -10.425 342 1HB ASN 48 HB2 ASN 48 1.200 7.662 -13.315 343 2HB ASN 48 HB1 ASN 48 -0.028 8.622 -12.504 344 1HD2 ASN 48 HD21 ASN 48 1.155 9.411 -14.872 345 2HD2 ASN 48 HD22 ASN 48 2.110 10.822 -14.579 346 H GLU 49 HN GLU 49 2.997 5.856 -10.882 347 HA GLU 49 HA GLU 49 0.774 4.050 -10.314 348 1HB GLU 49 HB2 GLU 49 2.756 3.761 -12.542 349 2HB GLU 49 HB1 GLU 49 2.043 2.339 -11.801 350 1HG GLU 49 HG2 GLU 49 -0.035 2.773 -12.636 351 2HG GLU 49 HG1 GLU 49 0.240 4.511 -12.731 352 H VAL 50 HN VAL 50 1.474 1.997 -9.391 353 HA VAL 50 HA VAL 50 4.164 1.682 -8.451 354 HB VAL 50 HB VAL 50 3.581 3.258 -6.801 355 1HG1 VAL 50 HG11 VAL 50 1.256 2.059 -5.599 356 2HG1 VAL 50 HG12 VAL 50 0.968 2.455 -7.291 357 3HG1 VAL 50 HG13 VAL 50 1.501 3.708 -6.171 358 1HG2 VAL 50 HG21 VAL 50 2.908 0.769 -5.304 359 2HG2 VAL 50 HG22 VAL 50 3.990 2.087 -4.861 360 3HG2 VAL 50 HG23 VAL 50 4.481 0.914 -6.082 361 H THR 51 HN THR 51 4.510 -0.388 -7.496 362 HA THR 51 HA THR 51 2.168 -2.161 -7.477 363 HB THR 51 HB THR 51 4.743 -2.656 -8.965 364 HG1 THR 51 HG1 THR 51 3.539 -1.783 -10.449 365 1HG2 THR 51 HG21 THR 51 4.428 -4.841 -8.903 366 2HG2 THR 51 HG22 THR 51 2.765 -4.652 -9.458 367 3HG2 THR 51 HG23 THR 51 3.130 -4.597 -7.732 368 H LEU 52 HN LEU 52 2.044 -3.207 -5.625 369 HA LEU 52 HA LEU 52 4.129 -3.314 -3.707 370 1HB LEU 52 HB2 LEU 52 1.477 -4.727 -3.962 371 2HB LEU 52 HB1 LEU 52 2.543 -4.962 -2.595 372 HG LEU 52 HG LEU 52 2.385 -2.531 -2.135 373 1HD1 LEU 52 HD11 LEU 52 1.769 -1.738 -4.336 374 2HD1 LEU 52 HD12 LEU 52 0.545 -1.272 -3.154 375 3HD1 LEU 52 HD13 LEU 52 0.247 -2.623 -4.247 376 1HD2 LEU 52 HD21 LEU 52 0.305 -4.530 -1.830 377 2HD2 LEU 52 HD22 LEU 52 -0.308 -2.880 -1.738 378 3HD2 LEU 52 HD23 LEU 52 0.971 -3.403 -0.649 379 H LEU 53 HN LEU 53 5.686 -4.868 -3.409 380 HA LEU 53 HA LEU 53 5.542 -7.116 -5.262 381 1HB LEU 53 HB2 LEU 53 7.934 -6.149 -3.696 382 2HB LEU 53 HB1 LEU 53 7.940 -7.372 -4.953 383 HG LEU 53 HG LEU 53 6.941 -4.664 -5.673 384 1HD1 LEU 53 HD11 LEU 53 9.019 -3.658 -5.818 385 2HD1 LEU 53 HD12 LEU 53 9.883 -5.192 -5.712 386 3HD1 LEU 53 HD13 LEU 53 9.117 -4.507 -4.277 387 1HD2 LEU 53 HD21 LEU 53 6.856 -5.980 -7.522 388 2HD2 LEU 53 HD22 LEU 53 8.179 -7.014 -6.985 389 3HD2 LEU 53 HD23 LEU 53 8.523 -5.427 -7.670 390 H ALA 54 HN ALA 54 4.651 -8.845 -4.454 391 HA ALA 54 HA ALA 54 4.021 -9.597 -1.972 392 1HB ALA 54 HB1 ALA 54 3.711 -11.750 -2.745 393 2HB ALA 54 HB2 ALA 54 5.146 -11.698 -3.771 394 3HB ALA 54 HB3 ALA 54 3.696 -10.808 -4.235 395 H SER 55 HN SER 55 7.277 -9.393 -3.072 396 HA SER 55 HA SER 55 8.391 -11.279 -1.256 397 1HB SER 55 HB2 SER 55 9.363 -9.668 -3.354 398 2HB SER 55 HB1 SER 55 10.245 -9.161 -1.914 399 HG SER 55 HG SER 55 11.215 -10.942 -3.057 400 H TYR 56 HN TYR 56 8.068 -7.756 -1.207 401 HA TYR 56 HA TYR 56 9.179 -7.431 1.386 402 1HB TYR 56 HB2 TYR 56 9.233 -5.452 0.224 403 2HB TYR 56 HB1 TYR 56 7.719 -5.765 -0.595 404 HD1 TYR 56 HD1 TYR 56 5.709 -4.841 0.166 405 HD2 TYR 56 HD2 TYR 56 9.157 -4.695 2.651 406 HE1 TYR 56 HE1 TYR 56 4.528 -3.330 1.703 407 HE2 TYR 56 HE2 TYR 56 7.987 -3.184 4.198 408 HH TYR 56 HH TYR 56 4.600 -2.275 3.664 409 H LEU 57 HN LEU 57 5.916 -7.067 0.146 410 HA LEU 57 HA LEU 57 4.485 -6.812 2.450 411 1HB LEU 57 HB2 LEU 57 3.890 -7.218 -0.206 412 2HB LEU 57 HB1 LEU 57 3.191 -8.628 0.561 413 HG LEU 57 HG LEU 57 1.659 -7.369 1.778 414 1HD1 LEU 57 HD11 LEU 57 2.574 -5.646 2.892 415 2HD1 LEU 57 HD12 LEU 57 2.032 -4.697 1.509 416 3HD1 LEU 57 HD13 LEU 57 3.700 -5.266 1.588 417 1HD2 LEU 57 HD21 LEU 57 1.076 -5.447 -0.048 418 2HD2 LEU 57 HD22 LEU 57 0.614 -7.143 -0.192 419 3HD2 LEU 57 HD23 LEU 57 2.064 -6.551 -1.004 420 H ASN 58 HN ASN 58 5.542 -9.841 0.942 421 HA ASN 58 HA ASN 58 4.296 -11.535 2.832 422 1HB ASN 58 HB2 ASN 58 4.975 -12.466 0.724 423 2HB ASN 58 HB1 ASN 58 6.646 -11.977 0.984 424 1HD2 ASN 58 HD21 ASN 58 4.612 -13.365 3.464 425 2HD2 ASN 58 HD22 ASN 58 5.467 -14.860 3.599 426 H THR 59 HN THR 59 7.247 -9.727 2.836 427 HA THR 59 HA THR 59 8.439 -11.166 5.019 428 HB THR 59 HB THR 59 9.212 -8.461 3.925 429 HG1 THR 59 HG1 THR 59 9.615 -11.034 2.951 430 1HG2 THR 59 HG21 THR 59 10.751 -10.512 5.490 431 2HG2 THR 59 HG22 THR 59 10.353 -8.864 5.973 432 3HG2 THR 59 HG23 THR 59 11.486 -9.145 4.652 433 H LEU 60 HN LEU 60 6.329 -8.449 4.655 434 HA LEU 60 HA LEU 60 6.671 -6.881 6.813 435 1HB LEU 60 HB2 LEU 60 4.162 -7.999 5.622 436 2HB LEU 60 HB1 LEU 60 4.072 -6.964 7.035 437 HG LEU 60 HG LEU 60 4.970 -6.270 4.257 438 1HD1 LEU 60 HD11 LEU 60 3.107 -4.865 6.159 439 2HD1 LEU 60 HD12 LEU 60 2.587 -6.044 4.954 440 3HD1 LEU 60 HD13 LEU 60 3.340 -4.534 4.442 441 1HD2 LEU 60 HD21 LEU 60 5.615 -4.809 6.808 442 2HD2 LEU 60 HD22 LEU 60 5.648 -4.051 5.218 443 3HD2 LEU 60 HD23 LEU 60 6.737 -5.388 5.577 444 HA PRO 61 HA PRO 61 6.521 -9.003 10.639 445 1HB PRO 61 HB2 PRO 61 4.703 -7.444 12.047 446 2HB PRO 61 HB1 PRO 61 6.429 -7.117 11.885 447 1HG PRO 61 HG2 PRO 61 4.128 -5.960 10.385 448 2HG PRO 61 HG1 PRO 61 5.621 -5.175 10.929 449 1HD PRO 61 HD2 PRO 61 5.252 -5.887 8.366 450 2HD PRO 61 HD1 PRO 61 6.846 -5.986 9.140 451 H GLU 62 HN GLU 62 4.802 -9.610 12.432 452 HA GLU 62 HA GLU 62 3.035 -11.490 11.223 453 1HB GLU 62 HB2 GLU 62 2.516 -12.189 13.439 454 2HB GLU 62 HB1 GLU 62 4.228 -11.796 13.411 455 1HG GLU 62 HG2 GLU 62 2.827 -9.445 14.119 456 2HG GLU 62 HG1 GLU 62 2.189 -10.768 15.096 457 H ASN 63 HN ASN 63 0.854 -11.503 12.822 458 HA ASN 63 HA ASN 63 -1.050 -10.272 11.512 459 1HB ASN 63 HB2 ASN 63 -2.493 -10.470 13.456 460 2HB ASN 63 HB1 ASN 63 -1.423 -11.865 13.354 461 1HD2 ASN 63 HD21 ASN 63 -2.524 -9.318 15.269 462 2HD2 ASN 63 HD22 ASN 63 -1.426 -9.509 16.590 463 H THR 64 HN THR 64 0.120 -8.237 10.930 464 HA THR 64 HA THR 64 -0.624 -6.082 12.802 465 HB THR 64 HB THR 64 1.305 -4.789 11.888 466 HG1 THR 64 HG1 THR 64 2.247 -7.250 10.881 467 1HG2 THR 64 HG21 THR 64 1.374 -6.707 13.860 468 2HG2 THR 64 HG22 THR 64 2.609 -5.490 13.540 469 3HG2 THR 64 HG23 THR 64 2.761 -7.104 12.846 470 H THR 65 HN THR 65 -0.916 -3.956 11.678 471 HA THR 65 HA THR 65 -2.107 -4.369 9.016 472 HB THR 65 HB THR 65 -3.039 -2.158 10.748 473 HG1 THR 65 HG1 THR 65 -3.045 -3.935 12.163 474 1HG2 THR 65 HG21 THR 65 -4.517 -2.040 9.109 475 2HG2 THR 65 HG22 THR 65 -5.206 -3.542 9.726 476 3HG2 THR 65 HG23 THR 65 -3.998 -3.587 8.440 477 H LYS 66 HN LYS 66 -0.100 -3.749 8.050 478 HA LYS 66 HA LYS 66 1.168 -1.288 8.573 479 1HB LYS 66 HB2 LYS 66 1.654 -3.548 7.009 480 2HB LYS 66 HB1 LYS 66 1.519 -2.223 5.865 481 1HG LYS 66 HG2 LYS 66 3.102 -1.141 7.806 482 2HG LYS 66 HG1 LYS 66 3.618 -2.830 7.788 483 1HD LYS 66 HD2 LYS 66 4.126 -2.738 5.487 484 2HD LYS 66 HD1 LYS 66 3.328 -1.182 5.298 485 1HE LYS 66 HE2 LYS 66 5.405 -0.342 5.482 486 2HE LYS 66 HE1 LYS 66 5.161 -0.598 7.208 487 1HZ LYS 66 HZ1 LYS 66 6.160 -2.854 6.859 488 2HZ LYS 66 HZ2 LYS 66 7.228 -1.556 6.655 489 3HZ LYS 66 HZ3 LYS 66 6.596 -2.354 5.302 490 H THR 67 HN THR 67 1.460 0.308 6.705 491 HA THR 67 HA THR 67 -1.013 0.784 5.257 492 HB THR 67 HB THR 67 0.140 2.642 7.320 493 HG1 THR 67 HG1 THR 67 -1.395 1.206 8.088 494 1HG2 THR 67 HG21 THR 67 -0.577 3.741 5.058 495 2HG2 THR 67 HG22 THR 67 -1.072 4.440 6.597 496 3HG2 THR 67 HG23 THR 67 -2.202 3.444 5.675 497 H LEU 68 HN LEU 68 -0.711 1.661 3.321 498 HA LEU 68 HA LEU 68 1.990 2.382 2.528 499 1HB LEU 68 HB2 LEU 68 -0.367 1.228 1.233 500 2HB LEU 68 HB1 LEU 68 0.411 2.468 0.274 501 HG LEU 68 HG LEU 68 2.574 1.027 0.891 502 1HD1 LEU 68 HD11 LEU 68 2.147 -1.294 1.020 503 2HD1 LEU 68 HD12 LEU 68 0.424 -1.065 0.722 504 3HD1 LEU 68 HD13 LEU 68 1.132 -0.535 2.247 505 1HD2 LEU 68 HD21 LEU 68 2.583 0.774 -1.311 506 2HD2 LEU 68 HD22 LEU 68 0.938 1.403 -1.338 507 3HD2 LEU 68 HD23 LEU 68 1.214 -0.332 -1.243 508 H THR 69 HN THR 69 1.776 4.419 3.752 509 HA THR 69 HA THR 69 -0.136 6.366 2.985 510 HB THR 69 HB THR 69 2.405 6.405 4.584 511 HG1 THR 69 HG1 THR 69 -0.175 7.247 5.326 512 1HG2 THR 69 HG21 THR 69 0.909 8.880 4.765 513 2HG2 THR 69 HG22 THR 69 1.677 8.666 3.195 514 3HG2 THR 69 HG23 THR 69 2.647 8.608 4.665 515 H PHE 70 HN PHE 70 -0.077 6.540 0.735 516 HA PHE 70 HA PHE 70 2.320 7.027 -0.707 517 1HB PHE 70 HB2 PHE 70 -0.610 7.318 -1.349 518 2HB PHE 70 HB1 PHE 70 0.628 7.785 -2.499 519 HD1 PHE 70 HD1 PHE 70 2.006 6.127 -3.582 520 HD2 PHE 70 HD2 PHE 70 -1.013 4.988 -0.818 521 HE1 PHE 70 HE1 PHE 70 2.153 3.811 -4.387 522 HE2 PHE 70 HE2 PHE 70 -0.872 2.664 -1.619 523 HZ PHE 70 HZ PHE 70 0.710 2.073 -3.412 524 H ASP 71 HN ASP 71 3.497 8.797 -0.256 525 HA ASP 71 HA ASP 71 2.375 11.226 0.680 526 1HB ASP 71 HB2 ASP 71 4.654 10.597 1.240 527 2HB ASP 71 HB1 ASP 71 5.110 10.664 -0.453 528 H PHE 72 HN PHE 72 0.985 12.188 -0.595 529 HA PHE 72 HA PHE 72 1.682 12.721 -3.392 530 1HB PHE 72 HB2 PHE 72 -0.814 12.273 -1.947 531 2HB PHE 72 HB1 PHE 72 -0.875 13.702 -2.974 532 HD1 PHE 72 HD1 PHE 72 -0.789 13.519 -5.368 533 HD2 PHE 72 HD2 PHE 72 -0.499 10.062 -2.904 534 HE1 PHE 72 HE1 PHE 72 -1.185 12.091 -7.332 535 HE2 PHE 72 HE2 PHE 72 -0.894 8.628 -4.863 536 HZ PHE 72 HZ PHE 72 -1.235 9.643 -7.078 537 H GLY 73 HN GLY 73 2.873 14.092 -1.085 538 1HA GLY 73 HA2 GLY 73 3.694 16.259 -0.906 539 2HA GLY 73 HA1 GLY 73 2.440 16.791 -2.010 540 H VAL 74 HN VAL 74 0.437 15.303 -0.266 541 HA VAL 74 HA VAL 74 0.119 17.471 1.680 542 HB VAL 74 HB VAL 74 -2.235 16.782 1.820 543 1HG1 VAL 74 HG11 VAL 74 -2.251 17.043 -1.009 544 2HG1 VAL 74 HG12 VAL 74 -0.926 18.014 -0.361 545 3HG1 VAL 74 HG13 VAL 74 -2.573 18.268 0.211 546 1HG2 VAL 74 HG21 VAL 74 -1.408 14.746 -0.236 547 2HG2 VAL 74 HG22 VAL 74 -3.084 15.188 0.084 548 3HG2 VAL 74 HG23 VAL 74 -2.107 14.445 1.349 549 H GLY 75 HN GLY 75 -0.191 13.934 1.410 550 1HA GLY 75 HA2 GLY 75 0.329 12.316 2.970 551 2HA GLY 75 HA1 GLY 75 0.892 13.577 4.045 552 H THR 76 HN THR 76 -1.110 15.047 4.666 553 HA THR 76 HA THR 76 -2.588 13.666 6.534 554 HB THR 76 HB THR 76 -3.350 16.235 5.137 555 HG1 THR 76 HG1 THR 76 -1.786 15.690 7.429 556 1HG2 THR 76 HG21 THR 76 -5.211 15.242 6.432 557 2HG2 THR 76 HG22 THR 76 -4.651 16.793 7.058 558 3HG2 THR 76 HG23 THR 76 -4.185 15.295 7.866 559 H LYS 77 HN LYS 77 -4.012 15.039 3.564 560 HA LYS 77 HA LYS 77 -6.199 13.165 3.757 561 1HB LYS 77 HB2 LYS 77 -7.277 14.467 2.059 562 2HB LYS 77 HB1 LYS 77 -6.580 15.574 3.233 563 1HG LYS 77 HG2 LYS 77 -5.695 16.637 1.496 564 2HG LYS 77 HG1 LYS 77 -4.572 15.280 1.372 565 1HD LYS 77 HD2 LYS 77 -5.372 15.044 -0.702 566 2HD LYS 77 HD1 LYS 77 -6.784 14.327 0.073 567 1HE LYS 77 HE2 LYS 77 -6.879 17.235 0.027 568 2HE LYS 77 HE1 LYS 77 -6.777 16.532 -1.584 569 1HZ LYS 77 HZ1 LYS 77 -8.664 15.244 0.186 570 2HZ LYS 77 HZ2 LYS 77 -8.833 15.688 -1.432 571 3HZ LYS 77 HZ3 LYS 77 -9.054 16.840 -0.213 572 H ASN 78 HN ASN 78 -3.276 12.646 2.799 573 HA ASN 78 HA ASN 78 -3.494 11.810 0.102 574 1HB ASN 78 HB2 ASN 78 -1.277 11.661 0.339 575 2HB ASN 78 HB1 ASN 78 -1.456 11.999 2.054 576 1HD2 ASN 78 HD21 ASN 78 -0.501 10.583 3.300 577 2HD2 ASN 78 HD22 ASN 78 -0.290 8.903 2.965 578 HA PRO 79 HA PRO 79 -5.422 7.886 0.523 579 1HB PRO 79 HB2 PRO 79 -3.856 6.688 -1.589 580 2HB PRO 79 HB1 PRO 79 -5.519 7.270 -1.638 581 1HG PRO 79 HG2 PRO 79 -3.436 8.459 -2.968 582 2HG PRO 79 HG1 PRO 79 -4.920 9.296 -2.487 583 1HD PRO 79 HD2 PRO 79 -2.223 9.323 -1.204 584 2HD PRO 79 HD1 PRO 79 -3.403 10.639 -1.387 585 H LYS 80 HN LYS 80 -4.684 7.134 2.492 586 HA LYS 80 HA LYS 80 -2.141 5.745 2.666 587 1HB LYS 80 HB2 LYS 80 -4.072 5.498 4.888 588 2HB LYS 80 HB1 LYS 80 -2.359 5.885 4.927 589 1HG LYS 80 HG2 LYS 80 -3.074 7.921 5.520 590 2HG LYS 80 HG1 LYS 80 -3.358 8.132 3.791 591 1HD LYS 80 HD2 LYS 80 -5.342 8.814 4.904 592 2HD LYS 80 HD1 LYS 80 -5.681 7.245 4.172 593 1HE LYS 80 HE2 LYS 80 -6.428 7.694 6.611 594 2HE LYS 80 HE1 LYS 80 -5.678 6.149 6.210 595 1HZ LYS 80 HZ1 LYS 80 -4.866 7.374 8.277 596 2HZ LYS 80 HZ2 LYS 80 -4.069 8.414 7.210 597 3HZ LYS 80 HZ3 LYS 80 -3.693 6.765 7.220 598 H LEU 81 HN LEU 81 -2.083 3.810 1.705 599 HA LEU 81 HA LEU 81 -4.426 2.134 1.608 600 1HB LEU 81 HB2 LEU 81 -3.324 1.981 -0.382 601 2HB LEU 81 HB1 LEU 81 -1.744 2.147 0.347 602 HG LEU 81 HG LEU 81 -1.639 -0.134 0.905 603 1HD1 LEU 81 HD11 LEU 81 -4.077 -1.228 -0.040 604 2HD1 LEU 81 HD12 LEU 81 -4.466 0.068 1.081 605 3HD1 LEU 81 HD13 LEU 81 -3.426 -1.255 1.596 606 1HD2 LEU 81 HD21 LEU 81 -3.064 -0.428 -1.676 607 2HD2 LEU 81 HD22 LEU 81 -1.498 -1.059 -1.165 608 3HD2 LEU 81 HD23 LEU 81 -1.658 0.633 -1.617 609 H THR 82 HN THR 82 -4.772 1.572 3.783 610 HA THR 82 HA THR 82 -2.757 0.431 5.421 611 HB THR 82 HB THR 82 -4.740 1.511 6.364 612 HG1 THR 82 HG1 THR 82 -4.734 -1.231 7.048 613 1HG2 THR 82 HG21 THR 82 -6.431 0.785 4.766 614 2HG2 THR 82 HG22 THR 82 -6.889 0.403 6.424 615 3HG2 THR 82 HG23 THR 82 -6.284 -0.863 5.358 616 H ILE 83 HN ILE 83 -1.813 -1.434 5.120 617 HA ILE 83 HA ILE 83 -3.303 -3.626 3.856 618 HB ILE 83 HB ILE 83 -1.029 -2.737 2.962 619 1HG1 ILE 83 HG12 ILE 83 -0.801 -5.661 3.249 620 2HG1 ILE 83 HG11 ILE 83 -2.366 -5.092 2.677 621 1HG2 ILE 83 HG21 ILE 83 -0.074 -3.041 5.370 622 2HG2 ILE 83 HG22 ILE 83 0.927 -3.380 3.962 623 3HG2 ILE 83 HG23 ILE 83 0.171 -4.706 4.845 624 1HD1 ILE 83 HD11 ILE 83 -1.454 -4.166 0.747 625 2HD1 ILE 83 HD12 ILE 83 -0.575 -5.679 0.948 626 3HD1 ILE 83 HD13 ILE 83 0.174 -4.153 1.408 627 H THR 84 HN THR 84 -4.031 -5.204 5.118 628 HA THR 84 HA THR 84 -3.026 -5.445 7.837 629 HB THR 84 HB THR 84 -5.280 -7.025 6.624 630 HG1 THR 84 HG1 THR 84 -5.640 -4.590 7.995 631 1HG2 THR 84 HG21 THR 84 -5.293 -6.024 9.411 632 2HG2 THR 84 HG22 THR 84 -4.235 -7.382 9.023 633 3HG2 THR 84 HG23 THR 84 -5.969 -7.503 8.728 634 H VAL 85 HN VAL 85 -1.221 -6.625 7.985 635 HA VAL 85 HA VAL 85 -0.866 -9.002 6.348 636 HB VAL 85 HB VAL 85 1.103 -8.557 8.456 637 1HG1 VAL 85 HG11 VAL 85 1.732 -8.461 5.559 638 2HG1 VAL 85 HG12 VAL 85 1.091 -9.963 6.222 639 3HG1 VAL 85 HG13 VAL 85 2.575 -9.276 6.876 640 1HG2 VAL 85 HG21 VAL 85 2.061 -6.608 6.950 641 2HG2 VAL 85 HG22 VAL 85 0.959 -6.281 8.285 642 3HG2 VAL 85 HG23 VAL 85 0.349 -6.334 6.630 643 H LEU 86 HN LEU 86 -2.030 -10.685 7.026 644 HA LEU 86 HA LEU 86 -2.556 -11.189 9.807 645 1HB LEU 86 HB2 LEU 86 -3.027 -13.213 7.653 646 2HB LEU 86 HB1 LEU 86 -3.957 -12.906 9.107 647 HG LEU 86 HG LEU 86 -3.874 -11.089 6.698 648 1HD1 LEU 86 HD11 LEU 86 -5.778 -13.232 7.565 649 2HD1 LEU 86 HD12 LEU 86 -5.061 -12.956 5.977 650 3HD1 LEU 86 HD13 LEU 86 -6.318 -11.875 6.577 651 1HD2 LEU 86 HD21 LEU 86 -4.434 -9.650 8.382 652 2HD2 LEU 86 HD22 LEU 86 -5.140 -10.919 9.384 653 3HD2 LEU 86 HD23 LEU 86 -6.030 -10.295 7.995 654 HA PRO 87 HA PRO 87 0.809 -13.861 10.736 655 1HB PRO 87 HB2 PRO 87 -0.300 -15.667 12.407 656 2HB PRO 87 HB1 PRO 87 -0.048 -13.979 12.867 657 1HG PRO 87 HG2 PRO 87 -2.544 -15.336 11.929 658 2HG PRO 87 HG1 PRO 87 -2.335 -14.153 13.232 659 1HD PRO 87 HD2 PRO 87 -3.265 -13.502 10.756 660 2HD PRO 87 HD1 PRO 87 -2.369 -12.371 11.787 661 H LYS 88 HN LYS 88 1.807 -15.406 9.627 662 HA LYS 88 HA LYS 88 0.792 -16.893 7.594 663 1HB LYS 88 HB2 LYS 88 2.777 -18.501 8.931 664 2HB LYS 88 HB1 LYS 88 2.892 -17.632 7.412 665 1HG LYS 88 HG2 LYS 88 3.518 -15.601 8.613 666 2HG LYS 88 HG1 LYS 88 3.395 -16.475 10.144 667 1HD LYS 88 HD2 LYS 88 5.464 -17.258 9.912 668 2HD LYS 88 HD1 LYS 88 5.072 -17.928 8.327 669 1HE LYS 88 HE2 LYS 88 5.283 -15.253 7.794 670 2HE LYS 88 HE1 LYS 88 6.513 -15.483 9.036 671 1HZ LYS 88 HZ1 LYS 88 6.920 -17.589 7.395 672 2HZ LYS 88 HZ2 LYS 88 7.788 -16.138 7.343 673 3HZ LYS 88 HZ3 LYS 88 6.480 -16.375 6.301 674 H ASP 89 HN ASP 89 0.408 -19.230 7.373 675 HA ASP 89 HA ASP 89 -1.557 -20.108 9.203 676 1HB ASP 89 HB2 ASP 89 -0.754 -22.289 7.604 677 2HB ASP 89 HB1 ASP 89 -2.156 -21.257 7.387 678 H ILE 90 HN ILE 90 -1.122 -20.897 11.148 679 HA ILE 90 HA ILE 90 1.300 -22.528 11.501 680 HB ILE 90 HB ILE 90 0.354 -21.947 14.045 681 1HG1 ILE 90 HG12 ILE 90 0.289 -19.398 13.948 682 2HG1 ILE 90 HG11 ILE 90 0.017 -19.569 12.216 683 1HG2 ILE 90 HG21 ILE 90 2.419 -20.979 14.348 684 2HG2 ILE 90 HG22 ILE 90 2.417 -20.220 12.755 685 3HG2 ILE 90 HG23 ILE 90 2.701 -21.955 12.908 686 1HD1 ILE 90 HD11 ILE 90 -1.859 -21.246 13.312 687 2HD1 ILE 90 HD12 ILE 90 -2.139 -19.608 12.722 688 3HD1 ILE 90 HD13 ILE 90 -1.819 -19.885 14.434 689 HA PRO 91 HA PRO 91 -1.035 -26.098 12.563 690 1HB PRO 91 HB2 PRO 91 0.287 -27.116 14.700 691 2HB PRO 91 HB1 PRO 91 0.934 -27.166 13.055 692 1HG PRO 91 HG2 PRO 91 1.559 -25.263 15.280 693 2HG PRO 91 HG1 PRO 91 2.665 -26.051 14.138 694 1HD PRO 91 HD2 PRO 91 1.850 -23.487 13.840 695 2HD PRO 91 HD1 PRO 91 2.208 -24.543 12.457 696 H GLY 92 HN GLY 92 -3.014 -26.089 13.415 697 1HA GLY 92 HA2 GLY 92 -4.283 -26.447 15.486 698 2HA GLY 92 HA1 GLY 92 -3.322 -25.165 16.204 699 H LEU 93 HN LEU 93 -4.449 -24.837 12.944 700 HA LEU 93 HA LEU 93 -6.184 -22.642 13.807 701 1HB LEU 93 HB2 LEU 93 -6.099 -21.887 11.502 702 2HB LEU 93 HB1 LEU 93 -4.480 -22.135 12.130 703 HG LEU 93 HG LEU 93 -5.104 -24.561 10.931 704 1HD1 LEU 93 HD11 LEU 93 -5.575 -23.361 8.555 705 2HD1 LEU 93 HD12 LEU 93 -6.548 -22.358 9.631 706 3HD1 LEU 93 HD13 LEU 93 -6.823 -24.100 9.558 707 1HD2 LEU 93 HD21 LEU 93 -3.679 -23.047 9.059 708 2HD2 LEU 93 HD22 LEU 93 -3.022 -24.104 10.309 709 3HD2 LEU 93 HD23 LEU 93 -3.250 -22.384 10.636 710 H GLU 94 HN GLU 94 -8.154 -23.421 14.311 711 HA GLU 94 HA GLU 94 -9.574 -24.914 12.213 712 1HB GLU 94 HB2 GLU 94 -9.943 -25.417 15.167 713 2HB GLU 94 HB1 GLU 94 -10.634 -26.328 13.834 714 1HG GLU 94 HG2 GLU 94 -7.785 -26.302 13.599 715 2HG GLU 94 HG1 GLU 94 -8.248 -26.826 15.218
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