NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
591831 | 2n4b | 17611 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -3.118 14.424 13.908 2 H2 MET 1 2H MET 1 -2.570 12.948 13.475 3 H3 MET 1 3H MET 1 -1.555 14.025 14.164 4 HA MET 1 HA MET 1 -2.619 15.311 12.024 5 HB2 MET 1 2HB MET 1 0.099 14.027 12.551 6 HB3 MET 1 3HB MET 1 -0.234 15.057 11.153 7 HG2 MET 1 2HG MET 1 -0.797 16.947 12.655 8 HG3 MET 1 3HG MET 1 -0.526 15.921 14.070 9 HE1 MET 1 3HE MET 1 0.890 17.553 10.945 10 HE2 MET 1 1HE MET 1 2.671 17.572 11.174 11 HE3 MET 1 2HE MET 1 1.845 16.055 10.680 12 H ASN 2 H ASN 2 -2.969 14.801 9.823 13 HA ASN 2 HA ASN 2 -2.804 11.950 9.163 14 HB2 ASN 2 2HB ASN 2 -4.136 14.298 7.762 15 HB3 ASN 2 3HB ASN 2 -4.070 12.652 7.117 16 HD21 ASN 2 1HD2 ASN 2 -5.923 14.795 8.748 17 HD22 ASN 2 2HD2 ASN 2 -7.029 13.694 9.500 18 H ILE 3 H ILE 3 -1.229 11.153 7.798 19 HA ILE 3 HA ILE 3 0.486 13.169 6.531 20 HB ILE 3 HB ILE 3 1.034 10.254 7.293 21 HG12 ILE 3 2HG1 ILE 3 2.270 12.822 8.384 22 HG13 ILE 3 3HG1 ILE 3 0.903 11.999 9.147 23 HG21 ILE 3 1HG2 ILE 3 3.359 10.722 6.594 24 HG22 ILE 3 2HG2 ILE 3 2.206 10.874 5.225 25 HG23 ILE 3 3HG2 ILE 3 2.856 12.348 6.020 26 HD11 ILE 3 3HD1 ILE 3 3.665 10.794 8.666 27 HD12 ILE 3 1HD1 ILE 3 3.018 11.391 10.231 28 HD13 ILE 3 2HD1 ILE 3 2.277 9.958 9.441 29 H THR 4 H THR 4 0.693 13.209 4.286 30 HA THR 4 HA THR 4 -0.805 11.105 2.878 31 HB THR 4 HB THR 4 -0.514 14.080 2.205 32 HG1 THR 4 HG1 THR 4 -2.923 12.555 2.742 33 HG21 THR 4 3HG2 THR 4 -2.002 11.840 0.747 34 HG22 THR 4 1HG2 THR 4 -2.060 13.586 0.331 35 HG23 THR 4 2HG2 THR 4 -0.519 12.676 0.174 36 H VAL 5 H VAL 5 0.256 10.053 1.181 37 HA VAL 5 HA VAL 5 2.629 11.406 0.114 38 HB VAL 5 HB VAL 5 3.683 9.145 -0.170 39 HG11 VAL 5 1HG1 VAL 5 4.341 8.858 2.199 40 HG12 VAL 5 2HG1 VAL 5 4.309 10.588 1.719 41 HG13 VAL 5 3HG1 VAL 5 2.970 9.905 2.701 42 HG21 VAL 5 3HG2 VAL 5 1.640 7.781 -0.109 43 HG22 VAL 5 1HG2 VAL 5 2.805 7.242 1.147 44 HG23 VAL 5 2HG2 VAL 5 1.377 8.228 1.611 45 H GLU 6 H GLU 6 3.161 10.729 -2.167 46 HA GLU 6 HA GLU 6 0.894 9.578 -3.601 47 HB2 GLU 6 2HB GLU 6 0.409 12.023 -3.329 48 HB3 GLU 6 3HB GLU 6 1.953 12.401 -4.104 49 HG2 GLU 6 2HG GLU 6 1.188 11.279 -6.192 50 HG3 GLU 6 3HG GLU 6 -0.351 10.878 -5.418 51 H THR 7 H THR 7 1.516 8.572 -5.534 52 HA THR 7 HA THR 7 4.113 9.323 -6.622 53 HB THR 7 HB THR 7 3.262 6.453 -5.972 54 HG1 THR 7 HG1 THR 7 5.781 7.223 -5.166 55 HG21 THR 7 3HG2 THR 7 5.710 7.506 -7.473 56 HG22 THR 7 1HG2 THR 7 5.422 5.799 -6.994 57 HG23 THR 7 2HG2 THR 7 4.339 6.591 -8.188 58 H THR 8 H THR 8 4.109 9.357 -8.891 59 HA THR 8 HA THR 8 1.596 8.465 -10.114 60 HB THR 8 HB THR 8 3.649 10.554 -11.011 61 HG1 THR 8 HG1 THR 8 1.808 11.989 -10.629 62 HG21 THR 8 3HG2 THR 8 1.013 9.680 -12.290 63 HG22 THR 8 1HG2 THR 8 2.038 11.054 -12.826 64 HG23 THR 8 2HG2 THR 8 2.659 9.372 -12.938 65 H VAL 9 H VAL 9 1.650 6.811 -11.627 66 HA VAL 9 HA VAL 9 4.300 6.121 -12.691 67 HB VAL 9 HB VAL 9 3.676 3.732 -12.539 68 HG11 VAL 9 1HG1 VAL 9 3.837 3.484 -10.080 69 HG12 VAL 9 2HG1 VAL 9 4.951 4.750 -10.699 70 HG13 VAL 9 3HG1 VAL 9 3.422 5.221 -9.883 71 HG21 VAL 9 3HG2 VAL 9 1.234 3.975 -12.684 72 HG22 VAL 9 1HG2 VAL 9 1.697 3.038 -11.223 73 HG23 VAL 9 2HG2 VAL 9 1.203 4.758 -11.068 74 H ALA 10 H ALA 10 4.316 5.275 -14.873 75 HA ALA 10 HA ALA 10 1.944 6.014 -16.389 76 HB1 ALA 10 3HB ALA 10 4.723 5.044 -17.217 77 HB2 ALA 10 1HB ALA 10 3.435 5.609 -18.332 78 HB3 ALA 10 2HB ALA 10 4.166 6.750 -17.154 79 H ALA 11 H ALA 11 0.548 4.242 -15.507 80 HA ALA 11 HA ALA 11 0.768 1.925 -17.217 81 HB1 ALA 11 3HB ALA 11 0.859 1.680 -14.170 82 HB2 ALA 11 1HB ALA 11 0.628 0.323 -15.324 83 HB3 ALA 11 2HB ALA 11 2.173 1.240 -15.313 84 HA PRO 12 HA PRO 12 -3.626 2.214 -17.164 85 HB2 PRO 12 2HB PRO 12 -3.566 -0.826 -16.897 86 HB3 PRO 12 3HB PRO 12 -4.394 0.153 -18.115 87 HG2 PRO 12 2HG PRO 12 -2.164 -1.144 -18.785 88 HG3 PRO 12 3HG PRO 12 -2.418 0.503 -19.378 89 HD2 PRO 12 2HD PRO 12 -0.637 -0.450 -17.103 90 HD3 PRO 12 3HD PRO 12 -0.314 0.791 -18.322 91 H VAL 13 H VAL 13 -5.373 2.327 -15.805 92 HA VAL 13 HA VAL 13 -4.708 2.408 -13.114 93 HB VAL 13 HB VAL 13 -7.412 2.317 -14.540 94 HG11 VAL 13 1HG1 VAL 13 -8.376 3.188 -12.433 95 HG12 VAL 13 2HG1 VAL 13 -7.682 1.546 -12.221 96 HG13 VAL 13 3HG1 VAL 13 -6.786 2.983 -11.625 97 HG21 VAL 13 3HG2 VAL 13 -6.004 4.256 -15.083 98 HG22 VAL 13 1HG2 VAL 13 -7.411 4.748 -14.081 99 HG23 VAL 13 2HG2 VAL 13 -5.783 4.602 -13.335 100 H GLY 14 H GLY 14 -6.416 -0.150 -15.068 101 HA2 GLY 14 2HA GLY 14 -7.317 -1.638 -12.852 102 HA3 GLY 14 3HA GLY 14 -7.122 -2.205 -14.516 103 H LYS 15 H LYS 15 -4.250 -1.801 -14.818 104 HA LYS 15 HA LYS 15 -3.373 -4.207 -13.608 105 HB2 LYS 15 2HB LYS 15 -1.963 -1.964 -15.122 106 HB3 LYS 15 3HB LYS 15 -1.129 -3.417 -14.556 107 HG2 LYS 15 2HG LYS 15 -2.708 -4.821 -15.922 108 HG3 LYS 15 3HG LYS 15 -3.466 -3.342 -16.528 109 HD2 LYS 15 2HD LYS 15 -1.239 -2.597 -17.435 110 HD3 LYS 15 3HD LYS 15 -0.518 -4.110 -16.870 111 HE2 LYS 15 2HE LYS 15 -2.108 -5.402 -18.308 112 HE3 LYS 15 3HE LYS 15 -2.826 -3.889 -18.874 113 HZ1 LYS 15 3HZ LYS 15 -0.011 -4.686 -19.263 114 HZ2 LYS 15 1HZ LYS 15 -1.179 -4.713 -20.404 115 HZ3 LYS 15 2HZ LYS 15 -0.674 -3.288 -19.786 116 H VAL 16 H VAL 16 -2.814 -0.687 -12.884 117 HA VAL 16 HA VAL 16 -0.853 -1.159 -10.934 118 HB VAL 16 HB VAL 16 -2.815 1.141 -11.398 119 HG11 VAL 16 1HG1 VAL 16 -1.400 2.466 -9.858 120 HG12 VAL 16 2HG1 VAL 16 -2.188 1.087 -9.021 121 HG13 VAL 16 3HG1 VAL 16 -0.451 0.992 -9.468 122 HG21 VAL 16 3HG2 VAL 16 -1.142 0.797 -13.165 123 HG22 VAL 16 1HG2 VAL 16 -0.798 2.299 -12.244 124 HG23 VAL 16 2HG2 VAL 16 0.173 0.819 -11.943 125 H TRP 17 H TRP 17 -4.473 -0.744 -10.718 126 HA TRP 17 HA TRP 17 -4.553 -0.745 -7.906 127 HB2 TRP 17 2HB TRP 17 -6.370 0.081 -9.390 128 HB3 TRP 17 3HB TRP 17 -6.641 -1.560 -9.990 129 HD1 TRP 17 HD1 TRP 17 -7.123 0.598 -6.799 130 HE1 TRP 17 HE1 TRP 17 -8.868 -0.564 -5.284 131 HE3 TRP 17 HE3 TRP 17 -7.673 -3.787 -9.418 132 HZ2 TRP 17 HZ2 TRP 17 -10.288 -2.992 -5.201 133 HZ3 TRP 17 HZ3 TRP 17 -9.253 -5.496 -8.555 134 HH2 TRP 17 HH2 TRP 17 -10.547 -5.100 -6.476 135 H ARG 18 H ARG 18 -4.840 -3.422 -10.361 136 HA ARG 18 HA ARG 18 -5.485 -5.382 -8.432 137 HB2 ARG 18 2HB ARG 18 -4.465 -5.504 -11.267 138 HB3 ARG 18 3HB ARG 18 -4.685 -6.957 -10.285 139 HG2 ARG 18 2HG ARG 18 -7.082 -6.359 -9.957 140 HG3 ARG 18 3HG ARG 18 -6.854 -4.925 -10.967 141 HD2 ARG 18 2HD ARG 18 -6.282 -6.321 -12.874 142 HD3 ARG 18 3HD ARG 18 -6.411 -7.775 -11.876 143 HE ARG 18 HE ARG 18 -8.868 -6.352 -11.758 144 HH11 ARG 18 1HH1 ARG 18 -6.954 -8.201 -14.051 145 HH12 ARG 18 2HH1 ARG 18 -8.337 -8.758 -14.932 146 HH21 ARG 18 1HH2 ARG 18 -10.631 -7.065 -12.901 147 HH22 ARG 18 2HH2 ARG 18 -10.449 -8.106 -14.273 148 H ALA 19 H ALA 19 -2.351 -4.205 -9.833 149 HA ALA 19 HA ALA 19 -0.798 -6.183 -8.496 150 HB1 ALA 19 3HB ALA 19 -0.089 -3.432 -9.630 151 HB2 ALA 19 1HB ALA 19 1.087 -4.692 -9.123 152 HB3 ALA 19 2HB ALA 19 -0.015 -4.997 -10.508 153 H TYR 20 H TYR 20 -2.294 -3.118 -7.504 154 HA TYR 20 HA TYR 20 -0.493 -2.537 -5.397 155 HB2 TYR 20 2HB TYR 20 -2.203 -0.997 -6.541 156 HB3 TYR 20 3HB TYR 20 -3.454 -1.820 -5.600 157 HD1 TYR 20 HD1 TYR 20 -0.416 0.324 -5.354 158 HD2 TYR 20 HD2 TYR 20 -3.776 -1.341 -3.266 159 HE1 TYR 20 HE1 TYR 20 0.021 1.842 -3.449 160 HE2 TYR 20 HE2 TYR 20 -3.346 0.175 -1.358 161 HH TYR 20 HH TYR 20 -0.418 2.133 -1.183 162 H THR 21 H THR 21 -3.146 -4.876 -5.762 163 HA THR 21 HA THR 21 -3.038 -5.313 -2.858 164 HB THR 21 HB THR 21 -5.447 -5.990 -3.000 165 HG1 THR 21 HG1 THR 21 -5.326 -4.781 -5.646 166 HG21 THR 21 3HG2 THR 21 -4.847 -3.162 -3.999 167 HG22 THR 21 1HG2 THR 21 -6.372 -3.701 -3.217 168 HG23 THR 21 2HG2 THR 21 -4.835 -3.708 -2.288 169 H THR 22 H THR 22 -1.604 -6.616 -5.300 170 HA THR 22 HA THR 22 -2.498 -9.334 -4.656 171 HB THR 22 HB THR 22 -0.547 -8.303 -6.783 172 HG1 THR 22 HG1 THR 22 -2.516 -7.924 -7.656 173 HG21 THR 22 3HG2 THR 22 -1.588 -11.125 -6.222 174 HG22 THR 22 1HG2 THR 22 -0.571 -10.637 -7.619 175 HG23 THR 22 2HG2 THR 22 0.088 -10.540 -5.951 176 HA PRO 23 HA PRO 23 0.839 -9.347 -1.733 177 HB2 PRO 23 2HB PRO 23 0.620 -12.074 -1.089 178 HB3 PRO 23 3HB PRO 23 -0.522 -10.876 -0.466 179 HG2 PRO 23 2HG PRO 23 -0.807 -12.729 -2.848 180 HG3 PRO 23 3HG PRO 23 -1.993 -12.335 -1.597 181 HD2 PRO 23 2HD PRO 23 -2.119 -11.156 -4.039 182 HD3 PRO 23 3HD PRO 23 -2.542 -10.246 -2.583 183 H GLU 24 H GLU 24 0.717 -11.901 -4.302 184 HA GLU 24 HA GLU 24 3.420 -12.615 -4.056 185 HB2 GLU 24 2HB GLU 24 1.444 -12.638 -6.382 186 HB3 GLU 24 3HB GLU 24 3.084 -13.286 -6.513 187 HG2 GLU 24 2HG GLU 24 0.911 -14.258 -4.593 188 HG3 GLU 24 3HG GLU 24 1.449 -15.076 -6.066 189 H ASP 25 H ASP 25 1.778 -9.896 -5.788 190 HA ASP 25 HA ASP 25 4.138 -9.042 -7.126 191 HB2 ASP 25 2HB ASP 25 1.478 -7.744 -6.404 192 HB3 ASP 25 3HB ASP 25 2.764 -6.847 -7.222 193 H ILE 26 H ILE 26 2.630 -8.320 -3.910 194 HA ILE 26 HA ILE 26 4.247 -6.159 -3.261 195 HB ILE 26 HB ILE 26 2.871 -8.313 -1.593 196 HG12 ILE 26 2HG1 ILE 26 2.305 -5.331 -1.917 197 HG13 ILE 26 3HG1 ILE 26 1.539 -6.589 -2.896 198 HG21 ILE 26 1HG2 ILE 26 3.327 -6.918 0.397 199 HG22 ILE 26 2HG2 ILE 26 4.840 -7.548 -0.339 200 HG23 ILE 26 3HG2 ILE 26 4.358 -5.838 -0.601 201 HD11 ILE 26 3HD1 ILE 26 1.354 -6.333 0.140 202 HD12 ILE 26 1HD1 ILE 26 0.080 -5.896 -1.048 203 HD13 ILE 26 2HD1 ILE 26 0.577 -7.611 -0.854 204 H LYS 27 H LYS 27 4.873 -9.709 -3.150 205 HA LYS 27 HA LYS 27 7.104 -9.554 -1.421 206 HB2 LYS 27 2HB LYS 27 6.193 -11.600 -3.495 207 HB3 LYS 27 3HB LYS 27 7.594 -11.841 -2.443 208 HG2 LYS 27 2HG LYS 27 6.170 -11.741 -0.441 209 HG3 LYS 27 3HG LYS 27 4.755 -11.340 -1.423 210 HD2 LYS 27 2HD LYS 27 4.979 -13.533 -2.625 211 HD3 LYS 27 3HD LYS 27 6.379 -13.933 -1.621 212 HE2 LYS 27 2HE LYS 27 4.991 -13.841 0.422 213 HE3 LYS 27 3HE LYS 27 3.589 -13.315 -0.519 214 HZ1 LYS 27 3HZ LYS 27 4.971 -15.892 -0.906 215 HZ2 LYS 27 1HZ LYS 27 3.598 -15.693 -0.046 216 HZ3 LYS 27 2HZ LYS 27 3.603 -15.409 -1.654 217 H GLN 28 H GLN 28 6.665 -8.710 -4.813 218 HA GLN 28 HA GLN 28 9.232 -9.403 -5.742 219 HB2 GLN 28 2HB GLN 28 7.213 -7.285 -6.636 220 HB3 GLN 28 3HB GLN 28 8.676 -7.700 -7.540 221 HG2 GLN 28 2HG GLN 28 6.388 -9.613 -6.879 222 HG3 GLN 28 3HG GLN 28 6.657 -8.823 -8.438 223 HE21 GLN 28 1HE2 GLN 28 6.785 -11.727 -7.235 224 HE22 GLN 28 2HE2 GLN 28 8.224 -12.377 -7.947 225 H TRP 29 H TRP 29 8.007 -6.629 -3.837 226 HA TRP 29 HA TRP 29 10.647 -5.350 -4.176 227 HB2 TRP 29 2HB TRP 29 9.361 -3.177 -3.857 228 HB3 TRP 29 3HB TRP 29 9.121 -3.993 -5.407 229 HD1 TRP 29 HD1 TRP 29 6.681 -4.954 -5.949 230 HE1 TRP 29 HE1 TRP 29 4.372 -4.601 -4.840 231 HE3 TRP 29 HE3 TRP 29 8.228 -2.846 -1.525 232 HZ2 TRP 29 HZ2 TRP 29 3.340 -3.579 -2.431 233 HZ3 TRP 29 HZ3 TRP 29 6.506 -2.201 0.153 234 HH2 TRP 29 HH2 TRP 29 4.124 -2.555 -0.283 235 H ASN 30 H ASN 30 8.694 -7.039 -2.038 236 HA ASN 30 HA ASN 30 10.259 -5.996 0.145 237 HB2 ASN 30 2HB ASN 30 7.928 -4.719 -0.116 238 HB3 ASN 30 3HB ASN 30 7.315 -6.167 0.693 239 HD21 ASN 30 1HD2 ASN 30 7.152 -3.668 1.811 240 HD22 ASN 30 2HD2 ASN 30 8.107 -3.653 3.256 241 H ALA 31 H ALA 31 9.708 -7.388 2.237 242 HA ALA 31 HA ALA 31 9.434 -9.350 3.236 243 HB1 ALA 31 3HB ALA 31 7.345 -9.755 1.039 244 HB2 ALA 31 1HB ALA 31 7.492 -10.731 2.539 245 HB3 ALA 31 2HB ALA 31 7.072 -8.988 2.640 246 H ALA 32 H ALA 32 11.731 -9.424 1.813 247 HA ALA 32 HA ALA 32 11.905 -12.226 1.253 248 HB1 ALA 32 3HB ALA 32 12.410 -10.210 -0.990 249 HB2 ALA 32 1HB ALA 32 12.834 -11.955 -1.033 250 HB3 ALA 32 2HB ALA 32 11.112 -11.451 -0.945 251 H SER 33 H SER 33 14.124 -12.976 1.269 252 HA SER 33 HA SER 33 16.140 -10.936 1.845 253 HB2 SER 33 2HB SER 33 16.763 -12.020 3.943 254 HB3 SER 33 3HB SER 33 15.092 -11.445 4.021 255 HG SER 33 HG SER 33 14.359 -13.449 4.136 256 H ASP 34 H ASP 34 18.351 -11.776 1.710 257 HA ASP 34 HA ASP 34 18.492 -14.170 0.044 258 HB2 ASP 34 2HB ASP 34 20.548 -12.055 0.845 259 HB3 ASP 34 3HB ASP 34 20.895 -13.443 -0.195 260 H ASP 35 H ASP 35 19.254 -13.019 3.346 261 HA ASP 35 HA ASP 35 20.976 -15.307 3.834 262 HB2 ASP 35 2HB ASP 35 20.028 -12.926 5.489 263 HB3 ASP 35 3HB ASP 35 20.956 -14.258 6.190 264 H TRP 36 H TRP 36 18.070 -15.787 3.125 265 HA TRP 36 HA TRP 36 16.594 -17.340 3.706 266 HB2 TRP 36 2HB TRP 36 18.793 -18.247 5.631 267 HB3 TRP 36 3HB TRP 36 17.410 -19.215 5.104 268 HD1 TRP 36 HD1 TRP 36 17.372 -19.924 2.415 269 HE1 TRP 36 HE1 TRP 36 19.344 -20.386 0.805 270 HE3 TRP 36 HE3 TRP 36 21.120 -17.592 5.045 271 HZ2 TRP 36 HZ2 TRP 36 22.099 -19.839 0.659 272 HZ3 TRP 36 HZ3 TRP 36 23.422 -17.598 4.098 273 HH2 TRP 36 HH2 TRP 36 23.904 -18.689 1.961 274 H HIS 37 H HIS 37 15.799 -15.027 4.856 275 HA HIS 37 HA HIS 37 14.949 -15.957 7.522 276 HB2 HIS 37 2HB HIS 37 14.684 -13.165 6.311 277 HB3 HIS 37 3HB HIS 37 14.342 -13.645 7.978 278 HD2 HIS 37 HD2 HIS 37 17.213 -12.177 5.967 279 HE1 HIS 37 HE1 HIS 37 18.972 -13.828 9.504 280 H THR 38 H THR 38 12.637 -15.892 8.028 281 HA THR 38 HA THR 38 11.242 -16.814 5.677 282 HB THR 38 HB THR 38 10.481 -16.799 8.645 283 HG1 THR 38 HG1 THR 38 10.988 -19.095 8.419 284 HG21 THR 38 3HG2 THR 38 9.183 -18.201 6.257 285 HG22 THR 38 1HG2 THR 38 8.729 -18.420 7.981 286 HG23 THR 38 2HG2 THR 38 8.491 -16.828 7.185 287 H THR 39 H THR 39 10.032 -15.393 4.455 288 HA THR 39 HA THR 39 8.557 -13.341 5.957 289 HB THR 39 HB THR 39 8.687 -11.909 3.955 290 HG1 THR 39 HG1 THR 39 9.253 -12.757 2.066 291 HG21 THR 39 3HG2 THR 39 11.423 -12.999 4.781 292 HG22 THR 39 1HG2 THR 39 11.116 -11.420 3.983 293 HG23 THR 39 2HG2 THR 39 10.485 -11.729 5.637 294 H ALA 40 H ALA 40 6.356 -12.891 5.223 295 HA ALA 40 HA ALA 40 5.402 -14.276 2.878 296 HB1 ALA 40 3HB ALA 40 4.247 -14.853 5.652 297 HB2 ALA 40 1HB ALA 40 3.523 -15.361 4.089 298 HB3 ALA 40 2HB ALA 40 5.115 -16.019 4.596 299 H ALA 41 H ALA 41 3.798 -13.082 1.862 300 HA ALA 41 HA ALA 41 2.467 -11.033 3.518 301 HB1 ALA 41 3HB ALA 41 3.446 -10.815 0.628 302 HB2 ALA 41 1HB ALA 41 2.476 -9.582 1.502 303 HB3 ALA 41 2HB ALA 41 4.140 -9.971 2.054 304 H THR 42 H THR 42 0.233 -10.891 3.309 305 HA THR 42 HA THR 42 -0.946 -12.353 1.064 306 HB THR 42 HB THR 42 -2.676 -13.290 2.519 307 HG1 THR 42 HG1 THR 42 -1.184 -12.191 4.759 308 HG21 THR 42 3HG2 THR 42 0.117 -13.791 3.657 309 HG22 THR 42 1HG2 THR 42 -1.312 -14.859 3.865 310 HG23 THR 42 2HG2 THR 42 -0.609 -14.606 2.231 311 H VAL 43 H VAL 43 -2.881 -11.404 0.221 312 HA VAL 43 HA VAL 43 -3.888 -9.093 1.720 313 HB VAL 43 HB VAL 43 -3.484 -9.287 -1.310 314 HG11 VAL 43 1HG1 VAL 43 -4.351 -6.969 -1.357 315 HG12 VAL 43 2HG1 VAL 43 -5.575 -8.128 -0.739 316 HG13 VAL 43 3HG1 VAL 43 -4.689 -7.064 0.404 317 HG21 VAL 43 3HG2 VAL 43 -1.401 -8.832 -0.088 318 HG22 VAL 43 1HG2 VAL 43 -1.948 -7.374 -0.982 319 HG23 VAL 43 2HG2 VAL 43 -2.197 -7.485 0.793 320 H ASP 44 H ASP 44 -6.081 -9.252 2.126 321 HA ASP 44 HA ASP 44 -7.611 -11.162 0.512 322 HB2 ASP 44 2HB ASP 44 -7.719 -11.347 2.979 323 HB3 ASP 44 3HB ASP 44 -8.246 -9.663 3.099 324 H LEU 45 H LEU 45 -8.351 -10.226 -1.384 325 HA LEU 45 HA LEU 45 -8.874 -7.363 -1.379 326 HB2 LEU 45 2HB LEU 45 -7.535 -8.519 -3.169 327 HB3 LEU 45 3HB LEU 45 -8.971 -9.452 -3.611 328 HG LEU 45 HG LEU 45 -10.155 -7.379 -4.276 329 HD11 LEU 45 1HD1 LEU 45 -8.952 -5.225 -4.315 330 HD12 LEU 45 2HD1 LEU 45 -9.125 -5.854 -2.642 331 HD13 LEU 45 3HD1 LEU 45 -7.550 -5.991 -3.495 332 HD21 LEU 45 3HD2 LEU 45 -8.770 -8.588 -5.925 333 HD22 LEU 45 1HD2 LEU 45 -8.739 -6.817 -6.226 334 HD23 LEU 45 2HD2 LEU 45 -7.337 -7.619 -5.439 335 H ARG 46 H ARG 46 -10.811 -7.677 0.157 336 HA ARG 46 HA ARG 46 -13.058 -7.355 -1.580 337 HB2 ARG 46 2HB ARG 46 -13.128 -9.788 -1.270 338 HB3 ARG 46 3HB ARG 46 -13.172 -9.571 0.485 339 HG2 ARG 46 2HG ARG 46 -15.324 -8.367 0.296 340 HG3 ARG 46 3HG ARG 46 -15.278 -8.538 -1.464 341 HD2 ARG 46 2HD ARG 46 -15.371 -10.964 -1.254 342 HD3 ARG 46 3HD ARG 46 -15.347 -10.829 0.510 343 HE ARG 46 HE ARG 46 -17.539 -9.327 -0.327 344 HH11 ARG 46 1HH1 ARG 46 -16.510 -12.671 -0.654 345 HH12 ARG 46 2HH1 ARG 46 -18.129 -13.288 -0.664 346 HH21 ARG 46 1HH2 ARG 46 -19.606 -10.131 -0.353 347 HH22 ARG 46 2HH2 ARG 46 -19.907 -11.831 -0.492 348 H GLU 47 H GLU 47 -14.709 -6.059 -0.613 349 HA GLU 47 HA GLU 47 -13.878 -4.391 1.472 350 HB2 GLU 47 2HB GLU 47 -15.592 -3.909 -0.328 351 HB3 GLU 47 3HB GLU 47 -16.719 -4.978 0.517 352 HG2 GLU 47 2HG GLU 47 -16.788 -3.518 2.453 353 HG3 GLU 47 3HG GLU 47 -15.443 -2.542 1.846 354 H GLY 48 H GLY 48 -13.898 -4.616 3.688 355 HA2 GLY 48 2HA GLY 48 -14.712 -5.360 5.711 356 HA3 GLY 48 3HA GLY 48 -15.765 -6.515 4.884 357 H GLY 49 H GLY 49 -12.946 -7.038 3.237 358 HA2 GLY 49 2HA GLY 49 -12.511 -9.478 4.667 359 HA3 GLY 49 3HA GLY 49 -11.673 -8.899 3.222 360 H ALA 50 H ALA 50 -10.434 -10.218 5.561 361 HA ALA 50 HA ALA 50 -8.807 -7.970 6.563 362 HB1 ALA 50 3HB ALA 50 -9.821 -10.417 8.090 363 HB2 ALA 50 1HB ALA 50 -8.672 -9.188 8.721 364 HB3 ALA 50 2HB ALA 50 -10.359 -8.719 8.321 365 H PHE 51 H PHE 51 -6.558 -8.391 6.847 366 HA PHE 51 HA PHE 51 -5.578 -11.027 6.122 367 HB2 PHE 51 2HB PHE 51 -4.172 -10.125 4.288 368 HB3 PHE 51 3HB PHE 51 -5.899 -10.031 3.919 369 HD1 PHE 51 HD1 PHE 51 -7.083 -7.828 4.027 370 HD2 PHE 51 HD2 PHE 51 -2.823 -8.149 4.483 371 HE1 PHE 51 HE1 PHE 51 -6.851 -5.409 3.561 372 HE2 PHE 51 HE2 PHE 51 -2.594 -5.727 4.023 373 HZ PHE 51 HZ PHE 51 -4.605 -4.353 3.559 374 H SER 52 H SER 52 -3.120 -11.112 6.337 375 HA SER 52 HA SER 52 -1.967 -8.868 7.798 376 HB2 SER 52 2HB SER 52 -2.976 -10.242 9.567 377 HB3 SER 52 3HB SER 52 -2.206 -11.696 8.918 378 HG SER 52 HG SER 52 -0.558 -9.465 9.543 379 H SER 53 H SER 53 0.210 -8.616 7.328 380 HA SER 53 HA SER 53 1.533 -10.919 6.032 381 HB2 SER 53 2HB SER 53 1.821 -7.941 5.426 382 HB3 SER 53 3HB SER 53 2.803 -9.229 4.716 383 HG SER 53 HG SER 53 1.044 -8.601 3.350 384 H ARG 54 H ARG 54 3.677 -11.370 6.689 385 HA ARG 54 HA ARG 54 4.647 -9.750 8.923 386 HB2 ARG 54 2HB ARG 54 4.930 -11.698 10.340 387 HB3 ARG 54 3HB ARG 54 3.229 -11.361 9.992 388 HG2 ARG 54 2HG ARG 54 3.327 -13.156 8.200 389 HG3 ARG 54 3HG ARG 54 4.954 -13.554 8.769 390 HD2 ARG 54 2HD ARG 54 2.485 -13.591 10.512 391 HD3 ARG 54 3HD ARG 54 3.101 -14.994 9.630 392 HE ARG 54 HE ARG 54 5.209 -13.959 11.200 393 HH11 ARG 54 1HH1 ARG 54 2.078 -15.484 11.680 394 HH12 ARG 54 2HH1 ARG 54 2.545 -16.237 13.168 395 HH21 ARG 54 1HH2 ARG 54 5.788 -14.920 13.115 396 HH22 ARG 54 2HH2 ARG 54 4.674 -15.914 13.993 397 H MET 55 H MET 55 6.911 -9.728 9.122 398 HA MET 55 HA MET 55 8.347 -11.688 7.439 399 HB2 MET 55 2HB MET 55 9.022 -8.817 8.222 400 HB3 MET 55 3HB MET 55 10.208 -9.939 7.543 401 HG2 MET 55 2HG MET 55 8.819 -10.173 5.490 402 HG3 MET 55 3HG MET 55 7.622 -9.063 6.170 403 HE1 MET 55 3HE MET 55 11.475 -8.683 4.201 404 HE2 MET 55 1HE MET 55 11.989 -8.032 5.794 405 HE3 MET 55 2HE MET 55 11.236 -9.659 5.690 406 H GLU 56 H GLU 56 10.140 -12.789 8.373 407 HA GLU 56 HA GLU 56 10.403 -12.388 11.283 408 HB2 GLU 56 2HB GLU 56 10.356 -15.068 9.820 409 HB3 GLU 56 3HB GLU 56 10.493 -14.810 11.564 410 HG2 GLU 56 2HG GLU 56 8.061 -13.901 9.959 411 HG3 GLU 56 3HG GLU 56 8.191 -15.519 10.662 412 H ALA 57 H ALA 57 12.504 -12.996 12.180 413 HA ALA 57 HA ALA 57 14.598 -13.002 10.098 414 HB1 ALA 57 3HB ALA 57 14.597 -11.825 12.920 415 HB2 ALA 57 1HB ALA 57 15.991 -11.833 11.788 416 HB3 ALA 57 2HB ALA 57 14.510 -10.902 11.381 417 H LYS 58 H LYS 58 15.949 -14.749 10.040 418 HA LYS 58 HA LYS 58 15.721 -16.752 12.102 419 HB2 LYS 58 2HB LYS 58 15.954 -17.309 9.689 420 HB3 LYS 58 3HB LYS 58 17.532 -16.512 9.652 421 HG2 LYS 58 2HG LYS 58 18.463 -18.168 11.211 422 HG3 LYS 58 3HG LYS 58 16.874 -18.914 11.428 423 HD2 LYS 58 2HD LYS 58 16.813 -19.498 8.996 424 HD3 LYS 58 3HD LYS 58 18.397 -18.745 8.773 425 HE2 LYS 58 2HE LYS 58 19.413 -20.356 10.371 426 HE3 LYS 58 3HE LYS 58 17.830 -21.087 10.664 427 HZ1 LYS 58 3HZ LYS 58 19.223 -21.032 8.064 428 HZ2 LYS 58 1HZ LYS 58 19.091 -22.326 9.052 429 HZ3 LYS 58 2HZ LYS 58 17.761 -21.707 8.335 430 H ASP 59 H ASP 59 18.016 -14.134 11.176 431 HA ASP 59 HA ASP 59 19.808 -15.095 13.314 432 HB2 ASP 59 2HB ASP 59 20.402 -13.400 10.840 433 HB3 ASP 59 3HB ASP 59 21.576 -13.835 12.089 434 H GLY 60 H GLY 60 17.619 -12.549 12.279 435 HA2 GLY 60 2HA GLY 60 17.016 -10.932 13.945 436 HA3 GLY 60 3HA GLY 60 18.715 -10.840 14.430 437 H SER 61 H SER 61 17.395 -10.870 11.032 438 HA SER 61 HA SER 61 19.058 -8.522 10.540 439 HB2 SER 61 2HB SER 61 17.509 -10.418 8.717 440 HB3 SER 61 3HB SER 61 18.493 -9.060 8.154 441 HG SER 61 HG SER 61 19.439 -11.350 8.332 442 H MET 62 H MET 62 15.599 -9.598 10.009 443 HA MET 62 HA MET 62 14.668 -6.961 10.615 444 HB2 MET 62 2HB MET 62 13.679 -6.489 8.423 445 HB3 MET 62 3HB MET 62 15.443 -6.564 8.315 446 HG2 MET 62 2HG MET 62 15.189 -8.974 7.498 447 HG3 MET 62 3HG MET 62 13.446 -8.686 7.410 448 HE1 MET 62 3HE MET 62 16.923 -8.039 6.104 449 HE2 MET 62 1HE MET 62 16.728 -6.975 4.670 450 HE3 MET 62 2HE MET 62 16.629 -6.281 6.324 451 H GLY 63 H GLY 63 12.227 -6.867 10.541 452 HA2 GLY 63 2HA GLY 63 10.607 -8.942 9.736 453 HA3 GLY 63 3HA GLY 63 11.110 -9.358 11.380 454 H PHE 64 H PHE 64 8.370 -8.798 10.667 455 HA PHE 64 HA PHE 64 7.707 -6.992 12.694 456 HB2 PHE 64 2HB PHE 64 6.773 -5.138 11.389 457 HB3 PHE 64 3HB PHE 64 8.519 -5.262 11.137 458 HD1 PHE 64 HD1 PHE 64 5.229 -6.216 9.613 459 HD2 PHE 64 HD2 PHE 64 9.404 -5.435 8.967 460 HE1 PHE 64 HE1 PHE 64 4.870 -6.310 7.164 461 HE2 PHE 64 HE2 PHE 64 9.042 -5.524 6.520 462 HZ PHE 64 HZ PHE 64 6.774 -5.967 5.615 463 H ASP 65 H ASP 65 5.257 -6.584 12.729 464 HA ASP 65 HA ASP 65 3.863 -8.604 11.093 465 HB2 ASP 65 2HB ASP 65 4.132 -9.348 13.455 466 HB3 ASP 65 3HB ASP 65 3.375 -7.852 14.017 467 H PHE 66 H PHE 66 2.490 -7.584 9.691 468 HA PHE 66 HA PHE 66 1.140 -5.160 10.703 469 HB2 PHE 66 2HB PHE 66 2.814 -4.613 8.968 470 HB3 PHE 66 3HB PHE 66 2.113 -5.818 7.879 471 HD1 PHE 66 HD1 PHE 66 1.492 -2.567 9.581 472 HD2 PHE 66 HD2 PHE 66 0.158 -5.341 6.584 473 HE1 PHE 66 HE1 PHE 66 -0.064 -0.859 8.692 474 HE2 PHE 66 HE2 PHE 66 -1.398 -3.631 5.696 475 HZ PHE 66 HZ PHE 66 -1.511 -1.388 6.748 476 H ALA 67 H ALA 67 -1.081 -5.232 10.697 477 HA ALA 67 HA ALA 67 -2.338 -7.193 8.891 478 HB1 ALA 67 3HB ALA 67 -3.056 -6.600 11.803 479 HB2 ALA 67 1HB ALA 67 -3.995 -7.645 10.683 480 HB3 ALA 67 2HB ALA 67 -2.333 -8.118 11.173 481 H GLY 68 H GLY 68 -4.351 -6.544 7.962 482 HA2 GLY 68 2HA GLY 68 -5.451 -3.984 8.834 483 HA3 GLY 68 3HA GLY 68 -4.798 -4.051 7.192 484 H THR 69 H THR 69 -7.611 -3.569 7.899 485 HA THR 69 HA THR 69 -8.691 -5.804 6.358 486 HB THR 69 HB THR 69 -9.299 -6.227 8.728 487 HG1 THR 69 HG1 THR 69 -10.883 -6.237 6.681 488 HG21 THR 69 3HG2 THR 69 -10.624 -3.476 8.569 489 HG22 THR 69 1HG2 THR 69 -10.776 -4.641 9.927 490 HG23 THR 69 2HG2 THR 69 -9.182 -3.904 9.552 491 H TYR 70 H TYR 70 -10.395 -5.193 4.897 492 HA TYR 70 HA TYR 70 -10.279 -2.388 4.226 493 HB2 TYR 70 2HB TYR 70 -11.602 -4.844 2.980 494 HB3 TYR 70 3HB TYR 70 -11.786 -3.214 2.317 495 HD1 TYR 70 HD1 TYR 70 -8.652 -2.859 3.504 496 HD2 TYR 70 HD2 TYR 70 -10.698 -5.242 0.578 497 HE1 TYR 70 HE1 TYR 70 -6.535 -3.127 2.247 498 HE2 TYR 70 HE2 TYR 70 -8.586 -5.518 -0.680 499 HH TYR 70 HH TYR 70 -6.432 -5.053 -0.797 500 H THR 71 H THR 71 -11.986 -0.881 4.281 501 HA THR 71 HA THR 71 -14.354 -1.819 5.744 502 HB THR 71 HB THR 71 -14.636 0.517 6.483 503 HG1 THR 71 HG1 THR 71 -12.564 0.892 4.572 504 HG21 THR 71 3HG2 THR 71 -11.785 -0.506 6.907 505 HG22 THR 71 1HG2 THR 71 -12.631 0.706 7.926 506 HG23 THR 71 2HG2 THR 71 -13.235 -0.983 7.853 507 H LYS 72 H LYS 72 -13.125 -0.290 2.768 508 HA LYS 72 HA LYS 72 -15.743 -0.277 1.604 509 HB2 LYS 72 2HB LYS 72 -15.754 1.813 3.022 510 HB3 LYS 72 3HB LYS 72 -14.352 2.396 2.114 511 HG2 LYS 72 2HG LYS 72 -15.670 2.411 0.023 512 HG3 LYS 72 3HG LYS 72 -17.065 1.728 0.868 513 HD2 LYS 72 2HD LYS 72 -17.034 3.757 2.414 514 HD3 LYS 72 3HD LYS 72 -15.762 4.449 1.400 515 HE2 LYS 72 2HE LYS 72 -17.278 4.328 -0.588 516 HE3 LYS 72 3HE LYS 72 -18.550 3.631 0.424 517 HZ1 LYS 72 3HZ LYS 72 -17.353 6.302 0.796 518 HZ2 LYS 72 1HZ LYS 72 -18.824 5.994 0.160 519 HZ3 LYS 72 2HZ LYS 72 -18.527 5.659 1.730 520 H VAL 73 H VAL 73 -15.561 -0.450 -0.638 521 HA VAL 73 HA VAL 73 -13.126 0.643 -1.824 522 HB VAL 73 HB VAL 73 -12.812 -1.307 -3.243 523 HG11 VAL 73 1HG1 VAL 73 -12.179 -3.007 -1.558 524 HG12 VAL 73 2HG1 VAL 73 -11.708 -1.352 -1.046 525 HG13 VAL 73 3HG1 VAL 73 -13.151 -2.139 -0.323 526 HG21 VAL 73 3HG2 VAL 73 -15.168 -1.962 -3.497 527 HG22 VAL 73 1HG2 VAL 73 -14.169 -3.358 -2.969 528 HG23 VAL 73 2HG2 VAL 73 -15.215 -2.503 -1.786 529 H VAL 74 H VAL 74 -13.489 1.659 -3.841 530 HA VAL 74 HA VAL 74 -16.239 1.484 -4.838 531 HB VAL 74 HB VAL 74 -14.674 4.047 -4.240 532 HG11 VAL 74 1HG1 VAL 74 -16.701 5.221 -5.039 533 HG12 VAL 74 2HG1 VAL 74 -15.947 4.231 -6.334 534 HG13 VAL 74 3HG1 VAL 74 -17.426 3.644 -5.501 535 HG21 VAL 74 3HG2 VAL 74 -15.659 3.021 -2.234 536 HG22 VAL 74 1HG2 VAL 74 -16.535 4.524 -2.678 537 HG23 VAL 74 2HG2 VAL 74 -17.254 2.922 -3.053 538 H GLU 75 H GLU 75 -16.287 1.213 -7.061 539 HA GLU 75 HA GLU 75 -15.617 1.183 -9.187 540 HB2 GLU 75 2HB GLU 75 -14.550 3.912 -8.322 541 HB3 GLU 75 3HB GLU 75 -14.662 3.380 -10.005 542 HG2 GLU 75 2HG GLU 75 -17.132 3.143 -9.773 543 HG3 GLU 75 3HG GLU 75 -17.027 3.658 -8.084 544 H ASN 76 H ASN 76 -13.745 -0.156 -7.345 545 HA ASN 76 HA ASN 76 -11.603 -0.684 -7.015 546 HB2 ASN 76 2HB ASN 76 -11.553 -0.470 -10.050 547 HB3 ASN 76 3HB ASN 76 -10.414 -1.377 -9.046 548 HD21 ASN 76 1HD2 ASN 76 -13.008 -1.660 -10.981 549 HD22 ASN 76 2HD2 ASN 76 -13.627 -3.175 -10.413 550 H LYS 77 H LYS 77 -11.694 1.992 -6.344 551 HA LYS 77 HA LYS 77 -9.559 3.316 -7.801 552 HB2 LYS 77 2HB LYS 77 -11.536 3.665 -9.248 553 HB3 LYS 77 3HB LYS 77 -12.466 4.265 -7.868 554 HG2 LYS 77 2HG LYS 77 -10.920 6.198 -7.647 555 HG3 LYS 77 3HG LYS 77 -9.947 5.590 -8.992 556 HD2 LYS 77 2HD LYS 77 -11.954 5.750 -10.498 557 HD3 LYS 77 3HD LYS 77 -12.900 6.396 -9.151 558 HE2 LYS 77 2HE LYS 77 -11.301 8.316 -8.956 559 HE3 LYS 77 3HE LYS 77 -10.369 7.673 -10.315 560 HZ1 LYS 77 3HZ LYS 77 -13.191 8.528 -10.440 561 HZ2 LYS 77 1HZ LYS 77 -11.912 9.361 -11.020 562 HZ3 LYS 77 2HZ LYS 77 -12.331 7.934 -11.694 563 H ARG 78 H ARG 78 -12.017 3.175 -5.188 564 HA ARG 78 HA ARG 78 -10.249 4.921 -3.638 565 HB2 ARG 78 2HB ARG 78 -13.216 5.293 -4.035 566 HB3 ARG 78 3HB ARG 78 -12.382 5.874 -2.587 567 HG2 ARG 78 2HG ARG 78 -10.919 7.294 -3.940 568 HG3 ARG 78 3HG ARG 78 -11.602 6.638 -5.433 569 HD2 ARG 78 2HD ARG 78 -13.748 7.612 -4.954 570 HD3 ARG 78 3HD ARG 78 -13.208 8.129 -3.351 571 HE ARG 78 HE ARG 78 -11.457 9.347 -5.124 572 HH11 ARG 78 1HH1 ARG 78 -14.945 9.327 -4.697 573 HH12 ARG 78 2HH1 ARG 78 -15.141 10.949 -5.272 574 HH21 ARG 78 1HH2 ARG 78 -11.723 11.419 -5.869 575 HH22 ARG 78 2HH2 ARG 78 -13.291 12.151 -5.946 576 H ILE 79 H ILE 79 -9.737 4.024 -1.668 577 HA ILE 79 HA ILE 79 -11.469 1.882 -0.703 578 HB ILE 79 HB ILE 79 -9.881 0.738 -2.174 579 HG12 ILE 79 2HG1 ILE 79 -8.942 0.387 0.707 580 HG13 ILE 79 3HG1 ILE 79 -10.506 -0.196 0.122 581 HG21 ILE 79 1HG2 ILE 79 -7.442 0.878 -1.790 582 HG22 ILE 79 2HG2 ILE 79 -8.138 2.468 -2.251 583 HG23 ILE 79 3HG2 ILE 79 -7.715 2.135 -0.537 584 HD11 ILE 79 3HD1 ILE 79 -7.775 -1.030 -0.958 585 HD12 ILE 79 1HD1 ILE 79 -8.836 -1.995 0.123 586 HD13 ILE 79 2HD1 ILE 79 -9.363 -1.621 -1.553 587 H GLU 80 H GLU 80 -11.598 1.883 1.542 588 HA GLU 80 HA GLU 80 -9.412 3.254 2.974 589 HB2 GLU 80 2HB GLU 80 -11.484 4.614 2.954 590 HB3 GLU 80 3HB GLU 80 -12.409 3.243 3.580 591 HG2 GLU 80 2HG GLU 80 -11.096 3.287 5.682 592 HG3 GLU 80 3HG GLU 80 -10.106 4.612 5.056 593 H TYR 81 H TYR 81 -8.613 2.225 4.840 594 HA TYR 81 HA TYR 81 -9.933 -0.222 5.706 595 HB2 TYR 81 2HB TYR 81 -7.963 -1.598 5.359 596 HB3 TYR 81 3HB TYR 81 -8.469 -0.909 3.811 597 HD1 TYR 81 HD1 TYR 81 -7.138 0.896 2.741 598 HD2 TYR 81 HD2 TYR 81 -5.840 -0.983 6.375 599 HE1 TYR 81 HE1 TYR 81 -4.863 1.807 2.396 600 HE2 TYR 81 HE2 TYR 81 -3.563 -0.074 6.038 601 HH TYR 81 HH TYR 81 -2.228 1.133 4.759 602 H ALA 82 H ALA 82 -8.769 -1.158 7.688 603 HA ALA 82 HA ALA 82 -7.401 1.018 9.142 604 HB1 ALA 82 3HB ALA 82 -9.373 -1.078 10.178 605 HB2 ALA 82 1HB ALA 82 -8.482 0.111 11.187 606 HB3 ALA 82 2HB ALA 82 -9.691 0.680 9.986 607 H PHE 83 H PHE 83 -5.607 0.447 10.448 608 HA PHE 83 HA PHE 83 -4.784 -2.365 10.324 609 HB2 PHE 83 2HB PHE 83 -2.570 -1.755 9.517 610 HB3 PHE 83 3HB PHE 83 -3.790 -1.219 8.354 611 HD1 PHE 83 HD1 PHE 83 -1.329 -0.129 10.886 612 HD2 PHE 83 HD2 PHE 83 -4.217 1.148 7.973 613 HE1 PHE 83 HE1 PHE 83 -0.415 2.170 10.984 614 HE2 PHE 83 HE2 PHE 83 -3.299 3.443 8.068 615 HZ PHE 83 HZ PHE 83 -1.396 3.959 9.577 616 H GLY 84 H GLY 84 -4.651 -2.865 12.501 617 HA2 GLY 84 2HA GLY 84 -4.045 -2.716 14.655 618 HA3 GLY 84 3HA GLY 84 -2.840 -1.506 14.194 619 H ASP 85 H ASP 85 -3.092 0.343 15.410 620 HA ASP 85 HA ASP 85 -5.834 1.076 16.170 621 HB2 ASP 85 2HB ASP 85 -4.736 2.470 17.879 622 HB3 ASP 85 3HB ASP 85 -4.256 0.774 18.018 623 H ARG 86 H ARG 86 -4.283 1.578 13.459 624 HA ARG 86 HA ARG 86 -5.078 4.403 13.412 625 HB2 ARG 86 2HB ARG 86 -2.589 3.248 12.130 626 HB3 ARG 86 3HB ARG 86 -3.258 4.849 11.791 627 HG2 ARG 86 2HG ARG 86 -2.367 3.914 14.552 628 HG3 ARG 86 3HG ARG 86 -1.337 4.802 13.422 629 HD2 ARG 86 2HD ARG 86 -3.023 6.640 13.422 630 HD3 ARG 86 3HD ARG 86 -3.920 5.761 14.667 631 HE ARG 86 HE ARG 86 -1.436 7.251 15.000 632 HH11 ARG 86 1HH1 ARG 86 -3.647 4.918 16.421 633 HH12 ARG 86 2HH1 ARG 86 -3.054 5.165 18.030 634 HH21 ARG 86 1HH2 ARG 86 -0.696 7.567 17.069 635 HH22 ARG 86 2HH2 ARG 86 -1.362 6.685 18.403 636 H THR 87 H THR 87 -5.291 5.117 10.939 637 HA THR 87 HA THR 87 -6.441 2.870 9.455 638 HB THR 87 HB THR 87 -8.407 4.248 8.869 639 HG1 THR 87 HG1 THR 87 -8.737 6.254 10.075 640 HG21 THR 87 3HG2 THR 87 -7.947 4.059 11.886 641 HG22 THR 87 1HG2 THR 87 -9.539 4.227 11.072 642 HG23 THR 87 2HG2 THR 87 -8.554 2.746 10.821 643 H ALA 88 H ALA 88 -6.805 3.441 7.082 644 HA ALA 88 HA ALA 88 -5.327 5.772 6.160 645 HB1 ALA 88 3HB ALA 88 -4.575 2.901 5.422 646 HB2 ALA 88 1HB ALA 88 -3.930 4.386 4.646 647 HB3 ALA 88 2HB ALA 88 -3.578 4.051 6.375 648 H LYS 89 H LYS 89 -5.775 6.291 3.896 649 HA LYS 89 HA LYS 89 -7.791 4.582 2.623 650 HB2 LYS 89 2HB LYS 89 -8.943 6.466 3.821 651 HB3 LYS 89 3HB LYS 89 -7.980 7.620 2.890 652 HG2 LYS 89 2HG LYS 89 -9.004 6.855 0.789 653 HG3 LYS 89 3HG LYS 89 -9.876 5.572 1.638 654 HD2 LYS 89 2HD LYS 89 -11.102 7.286 2.983 655 HD3 LYS 89 3HD LYS 89 -10.219 8.575 2.155 656 HE2 LYS 89 2HE LYS 89 -11.170 7.848 -0.029 657 HE3 LYS 89 3HE LYS 89 -12.023 6.521 0.771 658 HZ1 LYS 89 3HZ LYS 89 -12.457 9.390 1.306 659 HZ2 LYS 89 1HZ LYS 89 -13.446 8.418 0.445 660 HZ3 LYS 89 2HZ LYS 89 -13.245 8.165 2.045 661 H VAL 90 H VAL 90 -7.382 4.257 0.448 662 HA VAL 90 HA VAL 90 -5.236 5.926 -0.671 663 HB VAL 90 HB VAL 90 -5.982 3.036 -1.350 664 HG11 VAL 90 1HG1 VAL 90 -3.869 3.056 -2.639 665 HG12 VAL 90 2HG1 VAL 90 -5.040 4.270 -3.256 666 HG13 VAL 90 3HG1 VAL 90 -3.650 4.794 -2.245 667 HG21 VAL 90 3HG2 VAL 90 -4.995 3.211 0.895 668 HG22 VAL 90 1HG2 VAL 90 -3.843 2.446 -0.251 669 HG23 VAL 90 2HG2 VAL 90 -3.624 4.162 0.232 670 H GLU 91 H GLU 91 -5.589 6.927 -2.676 671 HA GLU 91 HA GLU 91 -8.115 6.220 -4.031 672 HB2 GLU 91 2HB GLU 91 -8.280 8.392 -2.841 673 HB3 GLU 91 3HB GLU 91 -6.829 8.969 -3.672 674 HG2 GLU 91 2HG GLU 91 -7.971 8.885 -5.841 675 HG3 GLU 91 3HG GLU 91 -9.395 8.135 -5.109 676 H PHE 92 H PHE 92 -8.051 6.108 -6.316 677 HA PHE 92 HA PHE 92 -5.348 6.402 -7.468 678 HB2 PHE 92 2HB PHE 92 -7.638 4.518 -8.211 679 HB3 PHE 92 3HB PHE 92 -6.141 4.696 -9.135 680 HD1 PHE 92 HD1 PHE 92 -7.471 3.739 -5.770 681 HD2 PHE 92 HD2 PHE 92 -4.204 3.486 -8.548 682 HE1 PHE 92 HE1 PHE 92 -6.383 2.038 -4.337 683 HE2 PHE 92 HE2 PHE 92 -3.121 1.781 -7.119 684 HZ PHE 92 HZ PHE 92 -4.206 1.056 -5.007 685 H LEU 93 H LEU 93 -5.128 8.006 -8.973 686 HA LEU 93 HA LEU 93 -7.632 9.086 -10.107 687 HB2 LEU 93 2HB LEU 93 -4.934 10.440 -9.614 688 HB3 LEU 93 3HB LEU 93 -6.369 11.209 -10.305 689 HG LEU 93 HG LEU 93 -6.208 10.060 -7.468 690 HD11 LEU 93 1HD1 LEU 93 -6.166 12.422 -6.759 691 HD12 LEU 93 2HD1 LEU 93 -4.736 12.010 -7.765 692 HD13 LEU 93 3HD1 LEU 93 -6.098 12.939 -8.478 693 HD21 LEU 93 3HD2 LEU 93 -8.474 10.024 -8.448 694 HD22 LEU 93 1HD2 LEU 93 -8.343 11.270 -7.161 695 HD23 LEU 93 2HD2 LEU 93 -8.316 11.757 -8.890 696 H GLU 94 H GLU 94 -7.912 8.978 -12.303 697 HA GLU 94 HA GLU 94 -5.729 7.964 -13.912 698 HB2 GLU 94 2HB GLU 94 -8.069 7.180 -14.209 699 HB3 GLU 94 3HB GLU 94 -8.581 8.828 -14.596 700 HG2 GLU 94 2HG GLU 94 -7.108 8.813 -16.611 701 HG3 GLU 94 3HG GLU 94 -6.594 7.166 -16.224 702 H ALA 95 H ALA 95 -4.212 9.268 -14.847 703 HA ALA 95 HA ALA 95 -5.076 12.003 -15.553 704 HB1 ALA 95 3HB ALA 95 -2.308 10.923 -14.825 705 HB2 ALA 95 1HB ALA 95 -2.675 12.604 -15.342 706 HB3 ALA 95 2HB ALA 95 -3.345 11.971 -13.800 707 HA PRO 96 HA PRO 96 -4.201 11.141 -19.789 708 HB2 PRO 96 2HB PRO 96 -2.996 13.539 -20.569 709 HB3 PRO 96 3HB PRO 96 -4.737 13.422 -20.282 710 HG2 PRO 96 2HG PRO 96 -2.556 14.407 -18.411 711 HG3 PRO 96 3HG PRO 96 -4.136 15.126 -18.748 712 HD2 PRO 96 2HD PRO 96 -3.762 13.652 -16.504 713 HD3 PRO 96 3HD PRO 96 -5.295 13.556 -17.381 714 H GLN 97 H GLN 97 -1.485 12.182 -17.713 715 HA GLN 97 HA GLN 97 0.359 11.175 -19.751 716 HB2 GLN 97 2HB GLN 97 0.818 12.623 -17.093 717 HB3 GLN 97 3HB GLN 97 2.091 12.144 -18.223 718 HG2 GLN 97 2HG GLN 97 1.094 13.622 -19.967 719 HG3 GLN 97 3HG GLN 97 -0.168 14.109 -18.827 720 HE21 GLN 97 1HE2 GLN 97 0.934 16.238 -19.570 721 HE22 GLN 97 2HE2 GLN 97 2.195 16.836 -18.544 722 H GLY 98 H GLY 98 -1.327 10.104 -16.891 723 HA2 GLY 98 2HA GLY 98 -0.216 7.568 -16.902 724 HA3 GLY 98 3HA GLY 98 0.741 8.519 -15.759 725 H VAL 99 H VAL 99 -0.303 6.704 -14.303 726 HA VAL 99 HA VAL 99 -2.882 7.741 -13.350 727 HB VAL 99 HB VAL 99 -1.607 4.971 -13.076 728 HG11 VAL 99 1HG1 VAL 99 -3.682 4.332 -11.887 729 HG12 VAL 99 2HG1 VAL 99 -2.764 5.594 -10.998 730 HG13 VAL 99 3HG1 VAL 99 -4.230 6.042 -11.933 731 HG21 VAL 99 3HG2 VAL 99 -2.614 5.412 -15.276 732 HG22 VAL 99 1HG2 VAL 99 -3.597 4.228 -14.349 733 HG23 VAL 99 2HG2 VAL 99 -4.141 5.934 -14.486 734 H THR 100 H THR 100 -3.009 8.534 -11.239 735 HA THR 100 HA THR 100 -0.447 8.556 -9.819 736 HB THR 100 HB THR 100 -2.881 10.410 -9.675 737 HG1 THR 100 HG1 THR 100 -0.140 10.985 -10.447 738 HG21 THR 100 3HG2 THR 100 -0.222 10.521 -8.169 739 HG22 THR 100 1HG2 THR 100 -1.500 11.783 -8.143 740 HG23 THR 100 2HG2 THR 100 -1.830 10.156 -7.457 741 H VAL 101 H VAL 101 -0.264 7.615 -7.785 742 HA VAL 101 HA VAL 101 -2.777 6.619 -6.630 743 HB VAL 101 HB VAL 101 0.075 5.539 -6.355 744 HG11 VAL 101 1HG1 VAL 101 -0.997 3.650 -5.165 745 HG12 VAL 101 2HG1 VAL 101 -1.246 5.208 -4.309 746 HG13 VAL 101 3HG1 VAL 101 -2.581 4.489 -5.271 747 HG21 VAL 101 3HG2 VAL 101 -0.887 5.112 -8.577 748 HG22 VAL 101 1HG2 VAL 101 -0.789 3.595 -7.621 749 HG23 VAL 101 2HG2 VAL 101 -2.366 4.431 -7.820 750 H ARG 102 H ARG 102 -3.381 7.518 -4.678 751 HA ARG 102 HA ARG 102 -1.263 8.949 -3.212 752 HB2 ARG 102 2HB ARG 102 -2.745 10.504 -4.364 753 HB3 ARG 102 3HB ARG 102 -4.156 9.764 -3.595 754 HG2 ARG 102 2HG ARG 102 -3.292 10.434 -1.364 755 HG3 ARG 102 3HG ARG 102 -1.881 11.174 -2.132 756 HD2 ARG 102 2HD ARG 102 -4.753 11.986 -2.623 757 HD3 ARG 102 3HD ARG 102 -3.660 12.764 -1.470 758 HE ARG 102 HE ARG 102 -2.296 12.894 -3.856 759 HH11 ARG 102 1HH1 ARG 102 -5.524 13.865 -2.862 760 HH12 ARG 102 2HH1 ARG 102 -5.580 15.209 -3.953 761 HH21 ARG 102 1HH2 ARG 102 -2.387 14.610 -5.258 762 HH22 ARG 102 2HH2 ARG 102 -3.780 15.638 -5.330 763 H VAL 103 H VAL 103 -0.999 8.409 -1.073 764 HA VAL 103 HA VAL 103 -3.166 6.814 0.113 765 HB VAL 103 HB VAL 103 -0.145 6.531 0.534 766 HG11 VAL 103 1HG1 VAL 103 -0.751 4.567 1.913 767 HG12 VAL 103 2HG1 VAL 103 -1.420 6.091 2.589 768 HG13 VAL 103 3HG1 VAL 103 -2.491 4.958 1.697 769 HG21 VAL 103 3HG2 VAL 103 -0.883 5.647 -1.638 770 HG22 VAL 103 1HG2 VAL 103 -0.442 4.312 -0.521 771 HG23 VAL 103 2HG2 VAL 103 -2.171 4.693 -0.827 772 H SER 104 H SER 104 -4.059 7.766 1.924 773 HA SER 104 HA SER 104 -2.292 9.546 3.492 774 HB2 SER 104 2HB SER 104 -5.302 9.617 3.005 775 HB3 SER 104 3HB SER 104 -4.481 10.581 4.240 776 HG SER 104 HG SER 104 -4.785 11.746 2.263 777 H PHE 105 H PHE 105 -2.052 9.115 5.680 778 HA PHE 105 HA PHE 105 -3.821 7.104 6.862 779 HB2 PHE 105 2HB PHE 105 -1.935 5.797 7.682 780 HB3 PHE 105 3HB PHE 105 -1.893 5.862 5.916 781 HD1 PHE 105 HD1 PHE 105 -0.242 7.366 4.763 782 HD2 PHE 105 HD2 PHE 105 -0.162 6.706 9.007 783 HE1 PHE 105 HE1 PHE 105 2.084 8.208 4.851 784 HE2 PHE 105 HE2 PHE 105 2.163 7.550 9.093 785 HZ PHE 105 HZ PHE 105 3.290 8.304 7.017 786 H VAL 106 H VAL 106 -3.710 7.084 9.256 787 HA VAL 106 HA VAL 106 -3.214 9.726 10.255 788 HB VAL 106 HB VAL 106 -4.106 7.149 11.648 789 HG11 VAL 106 1HG1 VAL 106 -4.859 8.651 13.468 790 HG12 VAL 106 2HG1 VAL 106 -3.082 8.735 13.224 791 HG13 VAL 106 3HG1 VAL 106 -4.136 10.050 12.605 792 HG21 VAL 106 3HG2 VAL 106 -5.686 7.906 9.925 793 HG22 VAL 106 1HG2 VAL 106 -6.357 8.172 11.570 794 HG23 VAL 106 2HG2 VAL 106 -5.691 9.555 10.637 795 H ALA 107 H ALA 107 -1.517 10.413 11.598 796 HA ALA 107 HA ALA 107 0.876 8.925 11.404 797 HB1 ALA 107 3HB ALA 107 0.119 11.337 13.124 798 HB2 ALA 107 1HB ALA 107 1.788 10.747 12.822 799 HB3 ALA 107 2HB ALA 107 0.801 11.385 11.463 800 H GLU 108 H GLU 108 1.867 7.476 12.789 801 HA GLU 108 HA GLU 108 0.521 6.900 15.310 802 HB2 GLU 108 2HB GLU 108 1.268 5.054 13.829 803 HB3 GLU 108 3HB GLU 108 2.933 5.646 13.910 804 HG2 GLU 108 2HG GLU 108 2.978 5.206 16.361 805 HG3 GLU 108 3HG GLU 108 1.305 4.634 16.295 806 H THR 109 H THR 109 1.238 7.601 17.310 807 HA THR 109 HA THR 109 2.947 9.821 17.233 808 HB THR 109 HB THR 109 2.655 9.831 19.707 809 HG1 THR 109 HG1 THR 109 1.336 8.103 20.633 810 HG21 THR 109 3HG2 THR 109 0.107 9.149 18.159 811 HG22 THR 109 1HG2 THR 109 0.184 10.006 19.735 812 HG23 THR 109 2HG2 THR 109 0.882 10.766 18.266 813 H GLU 110 H GLU 110 3.608 6.389 17.557 814 HA GLU 110 HA GLU 110 5.871 6.659 19.286 815 HB2 GLU 110 2HB GLU 110 4.861 4.426 17.464 816 HB3 GLU 110 3HB GLU 110 6.275 4.269 18.514 817 HG2 GLU 110 2HG GLU 110 4.849 4.690 20.512 818 HG3 GLU 110 3HG GLU 110 3.432 4.871 19.469 819 H TYR 111 H TYR 111 5.309 7.194 15.862 820 HA TYR 111 HA TYR 111 8.230 7.138 15.441 821 HB2 TYR 111 2HB TYR 111 5.969 6.418 13.511 822 HB3 TYR 111 3HB TYR 111 7.661 6.620 13.036 823 HD1 TYR 111 HD1 TYR 111 9.359 4.964 13.688 824 HD2 TYR 111 HD2 TYR 111 5.247 4.464 14.809 825 HE1 TYR 111 HE1 TYR 111 9.804 2.595 14.252 826 HE2 TYR 111 HE2 TYR 111 5.685 2.095 15.377 827 HH TYR 111 HH TYR 111 7.172 0.466 15.481 828 HA PRO 112 HA PRO 112 7.891 11.447 14.435 829 HB2 PRO 112 2HB PRO 112 10.033 10.733 12.385 830 HB3 PRO 112 3HB PRO 112 10.082 11.986 13.632 831 HG2 PRO 112 2HG PRO 112 11.497 9.755 13.975 832 HG3 PRO 112 3HG PRO 112 10.629 10.448 15.351 833 HD2 PRO 112 2HD PRO 112 9.868 8.058 13.625 834 HD3 PRO 112 3HD PRO 112 9.729 8.251 15.378 835 H VAL 113 H VAL 113 6.847 12.778 13.037 836 HA VAL 113 HA VAL 113 5.140 11.588 11.220 837 HB VAL 113 HB VAL 113 6.142 14.464 11.489 838 HG11 VAL 113 1HG1 VAL 113 4.207 15.115 10.090 839 HG12 VAL 113 2HG1 VAL 113 5.373 14.094 9.183 840 HG13 VAL 113 3HG1 VAL 113 3.842 13.381 9.795 841 HG21 VAL 113 3HG2 VAL 113 4.881 13.592 13.408 842 HG22 VAL 113 1HG2 VAL 113 3.924 14.827 12.522 843 HG23 VAL 113 2HG2 VAL 113 3.548 13.083 12.318 844 H GLU 114 H GLU 114 8.352 13.226 10.680 845 HA GLU 114 HA GLU 114 8.158 13.212 7.867 846 HB2 GLU 114 2HB GLU 114 10.506 13.336 9.813 847 HB3 GLU 114 3HB GLU 114 10.700 13.470 8.060 848 HG2 GLU 114 2HG GLU 114 9.295 15.495 8.018 849 HG3 GLU 114 3HG GLU 114 8.960 15.336 9.747 850 H GLN 115 H GLN 115 9.473 10.821 10.260 851 HA GLN 115 HA GLN 115 10.762 9.224 8.324 852 HB2 GLN 115 2HB GLN 115 9.679 8.651 11.126 853 HB3 GLN 115 3HB GLN 115 10.608 7.478 10.183 854 HG2 GLN 115 2HG GLN 115 11.591 10.230 11.075 855 HG3 GLN 115 3HG GLN 115 12.013 8.685 11.827 856 HE21 GLN 115 1HE2 GLN 115 13.455 10.922 10.174 857 HE22 GLN 115 2HE2 GLN 115 14.432 10.020 9.064 858 H GLN 116 H GLN 116 7.399 9.254 9.677 859 HA GLN 116 HA GLN 116 6.656 6.797 8.461 860 HB2 GLN 116 2HB GLN 116 5.088 9.200 9.513 861 HB3 GLN 116 3HB GLN 116 4.313 7.741 8.882 862 HG2 GLN 116 2HG GLN 116 5.484 6.382 10.623 863 HG3 GLN 116 3HG GLN 116 6.222 7.857 11.263 864 HE21 GLN 116 1HE2 GLN 116 5.119 9.037 12.745 865 HE22 GLN 116 2HE2 GLN 116 3.467 8.781 13.196 866 H GLN 117 H GLN 117 6.455 10.286 7.454 867 HA GLN 117 HA GLN 117 4.896 9.892 5.182 868 HB2 GLN 117 2HB GLN 117 5.452 12.096 6.183 869 HB3 GLN 117 3HB GLN 117 7.150 11.889 5.732 870 HG2 GLN 117 2HG GLN 117 6.506 11.860 3.325 871 HG3 GLN 117 3HG GLN 117 4.809 12.071 3.777 872 HE21 GLN 117 1HE2 GLN 117 5.388 13.962 2.204 873 HE22 GLN 117 2HE2 GLN 117 5.833 15.454 2.963 874 H GLN 118 H GLN 118 8.525 9.766 5.600 875 HA GLN 118 HA GLN 118 9.012 9.321 2.850 876 HB2 GLN 118 2HB GLN 118 10.617 8.795 5.397 877 HB3 GLN 118 3HB GLN 118 11.258 8.487 3.778 878 HG2 GLN 118 2HG GLN 118 11.007 10.863 3.185 879 HG3 GLN 118 3HG GLN 118 10.250 11.202 4.747 880 HE21 GLN 118 1HE2 GLN 118 12.314 12.742 4.290 881 HE22 GLN 118 2HE2 GLN 118 13.740 12.249 5.140 882 H GLY 119 H GLY 119 8.367 7.126 5.665 883 HA2 GLY 119 2HA GLY 119 9.236 4.759 4.420 884 HA3 GLY 119 3HA GLY 119 8.101 4.903 5.769 885 H TRP 120 H TRP 120 5.915 6.292 4.620 886 HA TRP 120 HA TRP 120 4.705 4.167 3.170 887 HB2 TRP 120 2HB TRP 120 3.960 6.787 4.357 888 HB3 TRP 120 3HB TRP 120 3.065 6.398 2.882 889 HD1 TRP 120 HD1 TRP 120 1.107 4.673 3.088 890 HE1 TRP 120 HE1 TRP 120 0.155 3.226 5.009 891 HE3 TRP 120 HE3 TRP 120 4.821 5.409 6.563 892 HZ2 TRP 120 HZ2 TRP 120 0.869 2.493 7.630 893 HZ3 TRP 120 HZ3 TRP 120 4.618 4.289 8.779 894 HH2 TRP 120 HH2 TRP 120 2.696 2.867 9.303 895 H GLN 121 H GLN 121 6.185 7.338 2.257 896 HA GLN 121 HA GLN 121 5.319 7.297 -0.423 897 HB2 GLN 121 2HB GLN 121 6.265 9.281 0.741 898 HB3 GLN 121 3HB GLN 121 7.831 8.471 0.873 899 HG2 GLN 121 2HG GLN 121 7.936 10.030 -0.963 900 HG3 GLN 121 3HG GLN 121 7.977 8.391 -1.626 901 HE21 GLN 121 1HE2 GLN 121 6.894 8.332 -3.494 902 HE22 GLN 121 2HE2 GLN 121 5.368 9.084 -3.818 903 H ALA 122 H ALA 122 8.183 5.832 1.267 904 HA ALA 122 HA ALA 122 9.499 4.989 -1.070 905 HB1 ALA 122 3HB ALA 122 9.452 3.819 1.755 906 HB2 ALA 122 1HB ALA 122 10.654 3.430 0.478 907 HB3 ALA 122 2HB ALA 122 10.563 5.094 1.148 908 H ILE 123 H ILE 123 6.773 3.573 0.818 909 HA ILE 123 HA ILE 123 6.878 1.043 -0.380 910 HB ILE 123 HB ILE 123 4.621 2.667 0.883 911 HG12 ILE 123 2HG1 ILE 123 6.097 0.177 1.856 912 HG13 ILE 123 3HG1 ILE 123 6.576 1.827 2.278 913 HG21 ILE 123 1HG2 ILE 123 3.301 0.577 0.907 914 HG22 ILE 123 2HG2 ILE 123 3.643 1.132 -0.767 915 HG23 ILE 123 3HG2 ILE 123 4.575 -0.234 -0.066 916 HD11 ILE 123 3HD1 ILE 123 3.882 0.538 2.907 917 HD12 ILE 123 1HD1 ILE 123 5.229 0.814 4.062 918 HD13 ILE 123 2HD1 ILE 123 4.369 2.213 3.335 919 H LEU 124 H LEU 124 5.014 4.071 -1.243 920 HA LEU 124 HA LEU 124 3.840 2.978 -3.567 921 HB2 LEU 124 2HB LEU 124 4.537 5.813 -2.672 922 HB3 LEU 124 3HB LEU 124 3.696 5.469 -4.189 923 HG LEU 124 HG LEU 124 2.678 4.746 -1.390 924 HD11 LEU 124 1HD1 LEU 124 0.989 6.489 -1.834 925 HD12 LEU 124 2HD1 LEU 124 2.653 7.166 -1.844 926 HD13 LEU 124 3HD1 LEU 124 1.793 6.874 -3.394 927 HD21 LEU 124 3HD2 LEU 124 1.979 3.128 -3.118 928 HD22 LEU 124 1HD2 LEU 124 0.597 4.141 -2.582 929 HD23 LEU 124 2HD2 LEU 124 1.399 4.476 -4.154 930 H ASN 125 H ASN 125 7.035 4.561 -2.934 931 HA ASN 125 HA ASN 125 7.770 4.757 -5.644 932 HB2 ASN 125 2HB ASN 125 9.398 4.519 -3.088 933 HB3 ASN 125 3HB ASN 125 10.109 4.791 -4.685 934 HD21 ASN 125 1HD2 ASN 125 10.614 6.568 -2.777 935 HD22 ASN 125 2HD2 ASN 125 9.824 8.068 -3.135 936 H ASN 126 H ASN 126 7.983 2.077 -3.217 937 HA ASN 126 HA ASN 126 9.498 0.363 -4.869 938 HB2 ASN 126 2HB ASN 126 7.596 -0.074 -2.549 939 HB3 ASN 126 3HB ASN 126 8.363 -1.422 -3.400 940 HD21 ASN 126 1HD2 ASN 126 8.696 -0.834 -0.691 941 HD22 ASN 126 2HD2 ASN 126 10.379 -0.515 -0.434 942 H PHE 127 H PHE 127 5.938 1.004 -4.547 943 HA PHE 127 HA PHE 127 5.105 -0.983 -6.349 944 HB2 PHE 127 2HB PHE 127 4.033 1.645 -5.312 945 HB3 PHE 127 3HB PHE 127 3.252 0.918 -6.722 946 HD1 PHE 127 HD1 PHE 127 2.823 -1.754 -6.417 947 HD2 PHE 127 HD2 PHE 127 3.150 1.122 -3.242 948 HE1 PHE 127 HE1 PHE 127 1.528 -3.248 -4.929 949 HE2 PHE 127 HE2 PHE 127 1.859 -0.376 -1.754 950 HZ PHE 127 HZ PHE 127 1.046 -2.563 -2.593 951 H LYS 128 H LYS 128 6.325 2.402 -6.856 952 HA LYS 128 HA LYS 128 5.829 2.500 -9.611 953 HB2 LYS 128 2HB LYS 128 6.428 4.445 -8.197 954 HB3 LYS 128 3HB LYS 128 8.037 3.767 -7.920 955 HG2 LYS 128 2HG LYS 128 8.611 4.008 -10.292 956 HG3 LYS 128 3HG LYS 128 6.963 4.518 -10.682 957 HD2 LYS 128 2HD LYS 128 7.270 6.487 -9.092 958 HD3 LYS 128 3HD LYS 128 8.962 6.008 -8.903 959 HE2 LYS 128 2HE LYS 128 7.765 6.463 -11.669 960 HE3 LYS 128 3HE LYS 128 8.343 7.823 -10.697 961 HZ1 LYS 128 3HZ LYS 128 9.912 5.542 -11.688 962 HZ2 LYS 128 1HZ LYS 128 10.126 7.129 -12.009 963 HZ3 LYS 128 2HZ LYS 128 10.478 6.541 -10.527 964 H ARG 129 H ARG 129 8.750 1.339 -7.746 965 HA ARG 129 HA ARG 129 10.225 0.698 -10.051 966 HB2 ARG 129 2HB ARG 129 10.384 -0.255 -7.187 967 HB3 ARG 129 3HB ARG 129 11.489 -0.809 -8.451 968 HG2 ARG 129 2HG ARG 129 12.247 1.496 -8.848 969 HG3 ARG 129 3HG ARG 129 11.081 2.109 -7.668 970 HD2 ARG 129 2HD ARG 129 12.210 0.839 -5.895 971 HD3 ARG 129 3HD ARG 129 13.377 0.229 -7.076 972 HE ARG 129 HE ARG 129 13.457 3.032 -7.223 973 HH11 ARG 129 1HH1 ARG 129 14.108 0.558 -4.814 974 HH12 ARG 129 2HH1 ARG 129 15.345 1.483 -4.030 975 HH21 ARG 129 1HH2 ARG 129 15.033 4.212 -6.202 976 HH22 ARG 129 2HH2 ARG 129 15.877 3.582 -4.826 977 H HIS 130 H HIS 130 7.767 -1.133 -8.135 978 HA HIS 130 HA HIS 130 8.140 -3.616 -9.354 979 HB2 HIS 130 2HB HIS 130 6.731 -3.286 -7.376 980 HB3 HIS 130 3HB HIS 130 5.638 -2.228 -8.277 981 HD2 HIS 130 HD2 HIS 130 3.574 -3.537 -9.562 982 HE1 HIS 130 HE1 HIS 130 5.052 -7.520 -9.042 983 H VAL 131 H VAL 131 6.028 -0.794 -10.341 984 HA VAL 131 HA VAL 131 5.017 -1.991 -12.634 985 HB VAL 131 HB VAL 131 5.612 0.924 -11.932 986 HG11 VAL 131 1HG1 VAL 131 4.129 1.531 -13.818 987 HG12 VAL 131 2HG1 VAL 131 5.606 0.675 -14.377 988 HG13 VAL 131 3HG1 VAL 131 4.038 -0.197 -14.297 989 HG21 VAL 131 3HG2 VAL 131 3.924 -0.189 -10.533 990 HG22 VAL 131 1HG2 VAL 131 3.161 1.034 -11.605 991 HG23 VAL 131 2HG2 VAL 131 3.034 -0.713 -12.003 992 H GLU 132 H GLU 132 8.077 -0.090 -12.086 993 HA GLU 132 HA GLU 132 8.724 0.162 -14.810 994 HB2 GLU 132 2HB GLU 132 10.356 0.212 -12.236 995 HB3 GLU 132 3HB GLU 132 11.084 0.482 -13.825 996 HG2 GLU 132 2HG GLU 132 9.653 2.451 -14.196 997 HG3 GLU 132 3HG GLU 132 8.789 2.149 -12.683 998 H SER 133 H SER 133 9.306 -2.463 -12.403 999 HA SER 133 HA SER 133 11.173 -3.828 -14.111 1000 HB2 SER 133 2HB SER 133 11.025 -5.579 -12.414 1001 HB3 SER 133 3HB SER 133 11.235 -3.998 -11.648 1002 HG SER 133 HG SER 133 8.789 -5.498 -11.931 1003 H HIS 134 H HIS 134 7.647 -3.643 -13.833 1004 HA HIS 134 HA HIS 134 7.432 -6.153 -15.362 1005 HB2 HIS 134 2HB HIS 134 5.542 -4.704 -13.457 1006 HB3 HIS 134 3HB HIS 134 4.967 -5.939 -14.585 1007 HD2 HIS 134 HD2 HIS 134 5.193 -8.510 -13.637 1008 HE1 HIS 134 HE1 HIS 134 7.880 -7.685 -10.408 1009 H LEU 135 H LEU 135 7.749 -2.938 -15.983 1010 HA LEU 135 HA LEU 135 6.258 -3.232 -18.448 1011 HB2 LEU 135 2HB LEU 135 4.560 -2.270 -16.943 1012 HB3 LEU 135 3HB LEU 135 5.686 -1.005 -16.432 1013 HG LEU 135 HG LEU 135 5.729 -0.164 -18.836 1014 HD11 LEU 135 1HD1 LEU 135 3.910 -0.911 -20.325 1015 HD12 LEU 135 2HD1 LEU 135 5.028 -2.258 -19.925 1016 HD13 LEU 135 3HD1 LEU 135 3.427 -2.150 -19.119 1017 HD21 LEU 135 3HD2 LEU 135 4.341 0.871 -17.076 1018 HD22 LEU 135 1HD2 LEU 135 3.505 0.906 -18.665 1019 HD23 LEU 135 2HD2 LEU 135 3.021 -0.296 -17.421 1020 H GLU 136 H GLU 136 7.364 -2.272 -20.136 1021 HA GLU 136 HA GLU 136 9.941 -1.626 -20.036 1022 HB2 GLU 136 2HB GLU 136 8.542 -1.779 -22.089 1023 HB3 GLU 136 3HB GLU 136 7.824 -0.205 -21.722 1024 HG2 GLU 136 2HG GLU 136 10.029 0.891 -21.968 1025 HG3 GLU 136 3HG GLU 136 10.799 -0.676 -22.251 1026 H HIS 137 H HIS 137 7.241 0.745 -19.396 1027 HA HIS 137 HA HIS 137 8.489 3.078 -19.172 1028 HB2 HIS 137 2HB HIS 137 6.162 2.827 -18.567 1029 HB3 HIS 137 3HB HIS 137 6.555 1.757 -17.215 1030 HD2 HIS 137 HD2 HIS 137 6.576 3.083 -14.832 1031 HE1 HIS 137 HE1 HIS 137 7.396 7.008 -16.332 1032 H HIS 138 H HIS 138 10.185 4.019 -18.067 1033 HA HIS 138 HA HIS 138 11.028 3.087 -15.516 1034 HB2 HIS 138 2HB HIS 138 11.875 1.280 -17.154 1035 HB3 HIS 138 3HB HIS 138 12.937 2.524 -17.827 1036 HD2 HIS 138 HD2 HIS 138 12.876 0.020 -14.913 1037 HE1 HIS 138 HE1 HIS 138 16.082 2.748 -14.138 Start of MODEL 2 1 H1 MET 1 1H MET 1 -1.735 13.018 14.578 2 H2 MET 1 2H MET 1 -1.303 11.605 13.885 3 H3 MET 1 3H MET 1 -0.174 12.541 14.603 4 HA MET 1 HA MET 1 -1.423 14.133 12.778 5 HB2 MET 1 2HB MET 1 1.315 12.791 12.883 6 HB3 MET 1 3HB MET 1 0.872 13.991 11.661 7 HG2 MET 1 2HG MET 1 0.460 15.673 13.441 8 HG3 MET 1 3HG MET 1 0.859 14.475 14.679 9 HE1 MET 1 3HE MET 1 1.879 16.032 11.460 10 HE2 MET 1 1HE MET 1 3.529 16.681 11.747 11 HE3 MET 1 2HE MET 1 3.316 14.991 11.178 12 H ASN 2 H ASN 2 -2.055 13.914 10.612 13 HA ASN 2 HA ASN 2 -2.201 11.186 9.612 14 HB2 ASN 2 2HB ASN 2 -3.286 13.826 8.567 15 HB3 ASN 2 3HB ASN 2 -3.491 12.268 7.756 16 HD21 ASN 2 1HD2 ASN 2 -4.924 14.439 9.729 17 HD22 ASN 2 2HD2 ASN 2 -6.116 13.415 10.457 18 H ILE 3 H ILE 3 -0.648 10.338 8.280 19 HA ILE 3 HA ILE 3 1.116 12.268 6.951 20 HB ILE 3 HB ILE 3 1.526 9.304 7.603 21 HG12 ILE 3 2HG1 ILE 3 2.945 11.733 8.778 22 HG13 ILE 3 3HG1 ILE 3 1.514 11.009 9.524 23 HG21 ILE 3 1HG2 ILE 3 3.856 9.694 6.878 24 HG22 ILE 3 2HG2 ILE 3 2.686 9.966 5.543 25 HG23 ILE 3 3HG2 ILE 3 3.421 11.368 6.392 26 HD11 ILE 3 3HD1 ILE 3 4.158 9.583 8.985 27 HD12 ILE 3 1HD1 ILE 3 3.572 10.183 10.574 28 HD13 ILE 3 2HD1 ILE 3 2.705 8.848 9.743 29 H THR 4 H THR 4 1.106 12.410 4.715 30 HA THR 4 HA THR 4 -0.346 10.275 3.310 31 HB THR 4 HB THR 4 -0.141 13.263 2.659 32 HG1 THR 4 HG1 THR 4 -2.501 11.661 3.202 33 HG21 THR 4 3HG2 THR 4 -1.577 10.998 1.188 34 HG22 THR 4 1HG2 THR 4 -1.686 12.746 0.791 35 HG23 THR 4 2HG2 THR 4 -0.122 11.881 0.613 36 H VAL 5 H VAL 5 0.724 9.257 1.600 37 HA VAL 5 HA VAL 5 3.057 10.676 0.522 38 HB VAL 5 HB VAL 5 4.137 8.435 0.174 39 HG11 VAL 5 1HG1 VAL 5 4.823 8.103 2.531 40 HG12 VAL 5 2HG1 VAL 5 4.763 9.844 2.092 41 HG13 VAL 5 3HG1 VAL 5 3.443 9.119 3.071 42 HG21 VAL 5 3HG2 VAL 5 2.110 7.044 0.225 43 HG22 VAL 5 1HG2 VAL 5 3.296 6.492 1.456 44 HG23 VAL 5 2HG2 VAL 5 1.862 7.448 1.958 45 H GLU 6 H GLU 6 3.536 10.144 -1.782 46 HA GLU 6 HA GLU 6 1.258 8.946 -3.190 47 HB2 GLU 6 2HB GLU 6 2.393 11.745 -3.646 48 HB3 GLU 6 3HB GLU 6 1.318 10.910 -4.775 49 HG2 GLU 6 2HG GLU 6 -0.449 10.812 -3.005 50 HG3 GLU 6 3HG GLU 6 0.625 11.672 -1.895 51 H THR 7 H THR 7 1.847 7.867 -5.102 52 HA THR 7 HA THR 7 4.391 8.637 -6.288 53 HB THR 7 HB THR 7 3.598 5.751 -5.635 54 HG1 THR 7 HG1 THR 7 6.128 6.526 -4.890 55 HG21 THR 7 3HG2 THR 7 5.984 6.855 -7.196 56 HG22 THR 7 1HG2 THR 7 5.734 5.139 -6.730 57 HG23 THR 7 2HG2 THR 7 4.605 5.931 -7.880 58 H THR 8 H THR 8 4.230 8.782 -8.532 59 HA THR 8 HA THR 8 1.647 7.957 -9.628 60 HB THR 8 HB THR 8 3.783 9.904 -10.647 61 HG1 THR 8 HG1 THR 8 2.057 11.454 -10.188 62 HG21 THR 8 3HG2 THR 8 1.039 9.194 -11.793 63 HG22 THR 8 1HG2 THR 8 2.123 10.497 -12.386 64 HG23 THR 8 2HG2 THR 8 2.630 8.779 -12.516 65 H VAL 9 H VAL 9 1.521 6.228 -11.037 66 HA VAL 9 HA VAL 9 4.088 5.263 -12.098 67 HB VAL 9 HB VAL 9 1.591 3.676 -11.305 68 HG11 VAL 9 1HG1 VAL 9 2.978 1.682 -11.784 69 HG12 VAL 9 2HG1 VAL 9 2.736 2.695 -13.247 70 HG13 VAL 9 3HG1 VAL 9 4.301 2.748 -12.367 71 HG21 VAL 9 3HG2 VAL 9 2.854 4.493 -9.361 72 HG22 VAL 9 1HG2 VAL 9 3.046 2.717 -9.547 73 HG23 VAL 9 2HG2 VAL 9 4.371 3.821 -10.048 74 H ALA 10 H ALA 10 4.216 4.836 -14.322 75 HA ALA 10 HA ALA 10 1.994 5.762 -15.920 76 HB1 ALA 10 3HB ALA 10 4.739 4.622 -16.639 77 HB2 ALA 10 1HB ALA 10 3.577 5.362 -17.791 78 HB3 ALA 10 2HB ALA 10 4.313 6.360 -16.492 79 H ALA 11 H ALA 11 0.376 4.096 -15.328 80 HA ALA 11 HA ALA 11 0.435 1.926 -17.175 81 HB1 ALA 11 3HB ALA 11 0.663 1.313 -14.188 82 HB2 ALA 11 1HB ALA 11 0.292 0.120 -15.478 83 HB3 ALA 11 2HB ALA 11 1.888 0.943 -15.448 84 HA PRO 12 HA PRO 12 -3.940 2.348 -16.827 85 HB2 PRO 12 2HB PRO 12 -3.998 -0.701 -16.699 86 HB3 PRO 12 3HB PRO 12 -4.863 0.368 -17.812 87 HG2 PRO 12 2HG PRO 12 -2.743 -0.985 -18.692 88 HG3 PRO 12 3HG PRO 12 -2.961 0.698 -19.190 89 HD2 PRO 12 2HD PRO 12 -1.075 -0.439 -17.091 90 HD3 PRO 12 3HD PRO 12 -0.781 0.849 -18.267 91 H VAL 13 H VAL 13 -5.512 2.583 -15.318 92 HA VAL 13 HA VAL 13 -4.609 2.403 -12.685 93 HB VAL 13 HB VAL 13 -6.317 4.026 -13.600 94 HG11 VAL 13 1HG1 VAL 13 -8.680 3.294 -13.713 95 HG12 VAL 13 2HG1 VAL 13 -7.655 2.435 -14.913 96 HG13 VAL 13 3HG1 VAL 13 -8.165 1.601 -13.406 97 HG21 VAL 13 3HG2 VAL 13 -6.001 3.730 -11.179 98 HG22 VAL 13 1HG2 VAL 13 -7.728 4.039 -11.564 99 HG23 VAL 13 2HG2 VAL 13 -7.177 2.373 -11.179 100 H GLY 14 H GLY 14 -6.562 0.155 -14.715 101 HA2 GLY 14 2HA GLY 14 -7.552 -1.413 -12.575 102 HA3 GLY 14 3HA GLY 14 -7.407 -1.877 -14.275 103 H LYS 15 H LYS 15 -4.510 -1.569 -14.576 104 HA LYS 15 HA LYS 15 -3.824 -4.160 -13.638 105 HB2 LYS 15 2HB LYS 15 -2.280 -1.917 -15.013 106 HB3 LYS 15 3HB LYS 15 -1.545 -3.471 -14.598 107 HG2 LYS 15 2HG LYS 15 -3.301 -4.627 -16.001 108 HG3 LYS 15 3HG LYS 15 -3.920 -3.040 -16.477 109 HD2 LYS 15 2HD LYS 15 -1.647 -2.452 -17.390 110 HD3 LYS 15 3HD LYS 15 -1.074 -4.069 -16.960 111 HE2 LYS 15 2HE LYS 15 -2.822 -5.080 -18.442 112 HE3 LYS 15 3HE LYS 15 -3.390 -3.462 -18.874 113 HZ1 LYS 15 3HZ LYS 15 -0.682 -4.512 -19.402 114 HZ2 LYS 15 1HZ LYS 15 -1.870 -4.332 -20.508 115 HZ3 LYS 15 2HZ LYS 15 -1.206 -3.018 -19.802 116 H VAL 16 H VAL 16 -2.905 -0.785 -12.635 117 HA VAL 16 HA VAL 16 -0.912 -1.699 -10.843 118 HB VAL 16 HB VAL 16 -0.924 0.638 -10.021 119 HG11 VAL 16 1HG1 VAL 16 -0.377 1.756 -12.161 120 HG12 VAL 16 2HG1 VAL 16 0.311 0.099 -12.077 121 HG13 VAL 16 3HG1 VAL 16 -1.161 0.412 -13.058 122 HG21 VAL 16 3HG2 VAL 16 -3.350 1.033 -10.058 123 HG22 VAL 16 1HG2 VAL 16 -2.483 2.293 -10.999 124 HG23 VAL 16 2HG2 VAL 16 -3.345 0.970 -11.853 125 H TRP 17 H TRP 17 -4.437 -0.963 -10.568 126 HA TRP 17 HA TRP 17 -4.544 -0.983 -7.753 127 HB2 TRP 17 2HB TRP 17 -6.318 -0.116 -9.298 128 HB3 TRP 17 3HB TRP 17 -6.652 -1.771 -9.826 129 HD1 TRP 17 HD1 TRP 17 -7.056 0.553 -6.755 130 HE1 TRP 17 HE1 TRP 17 -8.824 -0.473 -5.172 131 HE3 TRP 17 HE3 TRP 17 -7.734 -3.956 -9.125 132 HZ2 TRP 17 HZ2 TRP 17 -10.307 -2.854 -4.952 133 HZ3 TRP 17 HZ3 TRP 17 -9.362 -5.574 -8.162 134 HH2 TRP 17 HH2 TRP 17 -10.621 -5.042 -6.131 135 H ARG 18 H ARG 18 -4.923 -3.626 -10.240 136 HA ARG 18 HA ARG 18 -5.601 -5.566 -8.285 137 HB2 ARG 18 2HB ARG 18 -4.729 -5.741 -11.170 138 HB3 ARG 18 3HB ARG 18 -5.027 -7.172 -10.175 139 HG2 ARG 18 2HG ARG 18 -7.351 -6.389 -9.755 140 HG3 ARG 18 3HG ARG 18 -7.050 -4.969 -10.766 141 HD2 ARG 18 2HD ARG 18 -6.666 -6.393 -12.701 142 HD3 ARG 18 3HD ARG 18 -6.876 -7.839 -11.704 143 HE ARG 18 HE ARG 18 -9.206 -6.245 -11.466 144 HH11 ARG 18 1HH1 ARG 18 -7.524 -8.127 -13.911 145 HH12 ARG 18 2HH1 ARG 18 -8.978 -8.541 -14.758 146 HH21 ARG 18 1HH2 ARG 18 -11.059 -6.772 -12.567 147 HH22 ARG 18 2HH2 ARG 18 -11.009 -7.762 -13.987 148 H ALA 19 H ALA 19 -2.495 -4.546 -9.855 149 HA ALA 19 HA ALA 19 -1.028 -6.750 -8.818 150 HB1 ALA 19 3HB ALA 19 -0.154 -4.003 -9.841 151 HB2 ALA 19 1HB ALA 19 0.929 -5.406 -9.552 152 HB3 ALA 19 2HB ALA 19 -0.337 -5.495 -10.823 153 H TYR 20 H TYR 20 -1.870 -3.480 -7.576 154 HA TYR 20 HA TYR 20 0.116 -3.490 -5.537 155 HB2 TYR 20 2HB TYR 20 -1.058 -1.466 -6.513 156 HB3 TYR 20 3HB TYR 20 -2.539 -1.980 -5.693 157 HD1 TYR 20 HD1 TYR 20 1.017 -0.971 -5.066 158 HD2 TYR 20 HD2 TYR 20 -2.924 -1.414 -3.424 159 HE1 TYR 20 HE1 TYR 20 1.740 0.219 -3.020 160 HE2 TYR 20 HE2 TYR 20 -2.209 -0.220 -1.377 161 HH TYR 20 HH TYR 20 -0.565 0.798 -0.313 162 H THR 21 H THR 21 -3.026 -5.073 -5.905 163 HA THR 21 HA THR 21 -3.168 -5.371 -2.985 164 HB THR 21 HB THR 21 -5.607 -5.741 -3.316 165 HG1 THR 21 HG1 THR 21 -5.258 -4.819 -6.035 166 HG21 THR 21 3HG2 THR 21 -4.562 -3.173 -4.606 167 HG22 THR 21 1HG2 THR 21 -6.208 -3.417 -3.931 168 HG23 THR 21 2HG2 THR 21 -4.777 -3.465 -2.847 169 H THR 22 H THR 22 -1.890 -7.044 -5.457 170 HA THR 22 HA THR 22 -2.979 -9.583 -4.493 171 HB THR 22 HB THR 22 -1.020 -8.934 -6.758 172 HG1 THR 22 HG1 THR 22 -3.154 -8.404 -7.341 173 HG21 THR 22 3HG2 THR 22 -2.242 -11.599 -5.885 174 HG22 THR 22 1HG2 THR 22 -1.242 -11.330 -7.352 175 HG23 THR 22 2HG2 THR 22 -0.520 -11.118 -5.721 176 HA PRO 23 HA PRO 23 0.316 -9.612 -1.573 177 HB2 PRO 23 2HB PRO 23 0.019 -12.332 -0.845 178 HB3 PRO 23 3HB PRO 23 -1.051 -11.062 -0.237 179 HG2 PRO 23 2HG PRO 23 -1.470 -12.964 -2.558 180 HG3 PRO 23 3HG PRO 23 -2.616 -12.462 -1.309 181 HD2 PRO 23 2HD PRO 23 -2.737 -11.356 -3.773 182 HD3 PRO 23 3HD PRO 23 -3.029 -10.352 -2.347 183 H GLU 24 H GLU 24 0.202 -12.301 -4.002 184 HA GLU 24 HA GLU 24 2.913 -12.993 -3.663 185 HB2 GLU 24 2HB GLU 24 0.930 -13.259 -5.965 186 HB3 GLU 24 3HB GLU 24 2.583 -13.878 -6.058 187 HG2 GLU 24 2HG GLU 24 0.456 -14.728 -4.030 188 HG3 GLU 24 3HG GLU 24 0.987 -15.658 -5.437 189 H ASP 25 H ASP 25 1.243 -10.478 -5.660 190 HA ASP 25 HA ASP 25 3.613 -9.732 -7.054 191 HB2 ASP 25 2HB ASP 25 0.920 -8.399 -6.526 192 HB3 ASP 25 3HB ASP 25 2.203 -7.606 -7.449 193 H ILE 26 H ILE 26 2.001 -8.661 -3.985 194 HA ILE 26 HA ILE 26 3.514 -6.386 -3.563 195 HB ILE 26 HB ILE 26 2.212 -8.400 -1.680 196 HG12 ILE 26 2HG1 ILE 26 1.535 -5.489 -2.295 197 HG13 ILE 26 3HG1 ILE 26 0.850 -6.856 -3.184 198 HG21 ILE 26 1HG2 ILE 26 2.590 -6.788 0.156 199 HG22 ILE 26 2HG2 ILE 26 4.134 -7.434 -0.495 200 HG23 ILE 26 3HG2 ILE 26 3.594 -5.780 -0.940 201 HD11 ILE 26 3HD1 ILE 26 0.569 -6.359 -0.186 202 HD12 ILE 26 1HD1 ILE 26 -0.688 -6.077 -1.438 203 HD13 ILE 26 2HD1 ILE 26 -0.126 -7.747 -1.088 204 H LYS 27 H LYS 27 4.331 -9.860 -3.073 205 HA LYS 27 HA LYS 27 6.472 -9.424 -1.288 206 HB2 LYS 27 2HB LYS 27 5.743 -11.682 -3.207 207 HB3 LYS 27 3HB LYS 27 7.146 -11.755 -2.133 208 HG2 LYS 27 2HG LYS 27 5.713 -11.608 -0.151 209 HG3 LYS 27 3HG LYS 27 4.282 -11.328 -1.152 210 HD2 LYS 27 2HD LYS 27 4.598 -13.582 -2.216 211 HD3 LYS 27 3HD LYS 27 6.009 -13.861 -1.186 212 HE2 LYS 27 2HE LYS 27 4.605 -13.684 0.846 213 HE3 LYS 27 3HE LYS 27 3.188 -13.292 -0.136 214 HZ1 LYS 27 3HZ LYS 27 4.693 -15.820 -0.351 215 HZ2 LYS 27 1HZ LYS 27 3.319 -15.631 0.511 216 HZ3 LYS 27 2HZ LYS 27 3.295 -15.455 -1.112 217 H GLN 28 H GLN 28 6.147 -8.845 -4.738 218 HA GLN 28 HA GLN 28 8.870 -9.458 -5.387 219 HB2 GLN 28 2HB GLN 28 6.691 -7.898 -6.865 220 HB3 GLN 28 3HB GLN 28 8.254 -8.352 -7.557 221 HG2 GLN 28 2HG GLN 28 6.062 -10.255 -6.613 222 HG3 GLN 28 3HG GLN 28 6.499 -9.896 -8.288 223 HE21 GLN 28 1HE2 GLN 28 6.637 -12.324 -6.271 224 HE22 GLN 28 2HE2 GLN 28 8.187 -13.015 -6.615 225 H TRP 29 H TRP 29 7.040 -6.550 -4.328 226 HA TRP 29 HA TRP 29 9.532 -5.001 -4.664 227 HB2 TRP 29 2HB TRP 29 7.854 -3.029 -4.913 228 HB3 TRP 29 3HB TRP 29 8.126 -4.085 -6.306 229 HD1 TRP 29 HD1 TRP 29 6.104 -5.726 -7.044 230 HE1 TRP 29 HE1 TRP 29 3.571 -5.676 -6.533 231 HE3 TRP 29 HE3 TRP 29 6.151 -2.462 -3.077 232 HZ2 TRP 29 HZ2 TRP 29 1.827 -4.434 -4.708 233 HZ3 TRP 29 HZ3 TRP 29 3.989 -1.882 -1.986 234 HH2 TRP 29 HH2 TRP 29 1.880 -2.844 -2.773 235 H ASN 30 H ASN 30 7.489 -6.444 -2.418 236 HA ASN 30 HA ASN 30 8.637 -4.738 -0.388 237 HB2 ASN 30 2HB ASN 30 6.393 -3.716 -0.984 238 HB3 ASN 30 3HB ASN 30 5.636 -5.211 -0.418 239 HD21 ASN 30 1HD2 ASN 30 4.541 -3.859 1.084 240 HD22 ASN 30 2HD2 ASN 30 5.301 -3.478 2.594 241 H ALA 31 H ALA 31 8.339 -5.745 1.845 242 HA ALA 31 HA ALA 31 8.538 -7.491 3.201 243 HB1 ALA 31 3HB ALA 31 6.416 -8.681 1.349 244 HB2 ALA 31 1HB ALA 31 6.854 -9.300 2.976 245 HB3 ALA 31 2HB ALA 31 6.115 -7.673 2.804 246 H ALA 32 H ALA 32 10.706 -7.444 1.597 247 HA ALA 32 HA ALA 32 11.275 -10.274 1.387 248 HB1 ALA 32 3HB ALA 32 11.532 -8.398 -1.011 249 HB2 ALA 32 1HB ALA 32 12.181 -10.070 -0.912 250 HB3 ALA 32 2HB ALA 32 10.407 -9.790 -0.863 251 H SER 33 H SER 33 13.561 -10.725 1.498 252 HA SER 33 HA SER 33 15.309 -8.410 1.857 253 HB2 SER 33 2HB SER 33 16.008 -9.147 4.074 254 HB3 SER 33 3HB SER 33 14.276 -8.792 4.074 255 HG SER 33 HG SER 33 13.786 -10.896 4.279 256 H ASP 34 H ASP 34 17.625 -9.045 1.973 257 HA ASP 34 HA ASP 34 18.066 -11.498 0.450 258 HB2 ASP 34 2HB ASP 34 19.882 -9.164 1.222 259 HB3 ASP 34 3HB ASP 34 20.398 -10.563 0.271 260 H ASP 35 H ASP 35 18.650 -10.066 3.696 261 HA ASP 35 HA ASP 35 20.498 -12.211 4.365 262 HB2 ASP 35 2HB ASP 35 19.426 -9.752 5.818 263 HB3 ASP 35 3HB ASP 35 20.420 -10.972 6.626 264 H TRP 36 H TRP 36 17.584 -12.844 3.712 265 HA TRP 36 HA TRP 36 16.205 -14.436 4.404 266 HB2 TRP 36 2HB TRP 36 18.455 -15.084 6.373 267 HB3 TRP 36 3HB TRP 36 17.114 -16.156 5.946 268 HD1 TRP 36 HD1 TRP 36 17.077 -17.068 3.315 269 HE1 TRP 36 HE1 TRP 36 19.049 -17.568 1.720 270 HE3 TRP 36 HE3 TRP 36 20.748 -14.395 5.719 271 HZ2 TRP 36 HZ2 TRP 36 21.781 -16.930 1.504 272 HZ3 TRP 36 HZ3 TRP 36 23.041 -14.383 4.750 273 HH2 TRP 36 HH2 TRP 36 23.549 -15.611 2.693 274 H HIS 37 H HIS 37 15.462 -11.979 5.439 275 HA HIS 37 HA HIS 37 14.814 -12.511 8.239 276 HB2 HIS 37 2HB HIS 37 14.199 -10.146 6.396 277 HB3 HIS 37 3HB HIS 37 13.757 -10.243 8.106 278 HD2 HIS 37 HD2 HIS 37 16.721 -9.139 5.930 279 HE1 HIS 37 HE1 HIS 37 18.164 -9.386 9.953 280 H THR 38 H THR 38 12.528 -12.490 8.978 281 HA THR 38 HA THR 38 11.098 -14.201 7.146 282 HB THR 38 HB THR 38 10.558 -13.397 10.054 283 HG1 THR 38 HG1 THR 38 11.349 -15.592 10.433 284 HG21 THR 38 3HG2 THR 38 9.296 -15.571 8.311 285 HG22 THR 38 1HG2 THR 38 8.996 -15.321 10.064 286 HG23 THR 38 2HG2 THR 38 8.493 -14.069 8.880 287 H THR 39 H THR 39 9.652 -13.308 5.698 288 HA THR 39 HA THR 39 8.043 -11.067 6.708 289 HB THR 39 HB THR 39 7.979 -10.165 4.417 290 HG1 THR 39 HG1 THR 39 9.024 -11.175 2.725 291 HG21 THR 39 3HG2 THR 39 10.830 -10.744 5.365 292 HG22 THR 39 1HG2 THR 39 10.344 -9.445 4.223 293 HG23 THR 39 2HG2 THR 39 9.778 -9.401 5.927 294 H ALA 40 H ALA 40 5.812 -10.949 5.797 295 HA ALA 40 HA ALA 40 4.967 -13.117 4.084 296 HB1 ALA 40 3HB ALA 40 3.838 -12.767 6.906 297 HB2 ALA 40 1HB ALA 40 3.157 -13.831 5.630 298 HB3 ALA 40 2HB ALA 40 4.786 -14.169 6.305 299 H ALA 41 H ALA 41 3.066 -12.600 2.911 300 HA ALA 41 HA ALA 41 1.554 -10.267 3.815 301 HB1 ALA 41 3HB ALA 41 2.775 -10.567 1.028 302 HB2 ALA 41 1HB ALA 41 1.593 -9.309 1.526 303 HB3 ALA 41 2HB ALA 41 3.230 -9.347 2.265 304 H THR 42 H THR 42 -0.618 -10.679 3.684 305 HA THR 42 HA THR 42 -1.483 -12.473 1.542 306 HB THR 42 HB THR 42 -2.408 -12.604 4.462 307 HG1 THR 42 HG1 THR 42 -1.486 -14.775 4.293 308 HG21 THR 42 3HG2 THR 42 -3.266 -14.210 2.004 309 HG22 THR 42 1HG2 THR 42 -3.795 -14.509 3.694 310 HG23 THR 42 2HG2 THR 42 -4.254 -12.983 2.866 311 H VAL 43 H VAL 43 -3.335 -11.747 0.470 312 HA VAL 43 HA VAL 43 -4.842 -9.616 1.803 313 HB VAL 43 HB VAL 43 -3.960 -9.644 -1.129 314 HG11 VAL 43 1HG1 VAL 43 -5.005 -7.401 -1.220 315 HG12 VAL 43 2HG1 VAL 43 -6.200 -8.681 -0.821 316 HG13 VAL 43 3HG1 VAL 43 -5.574 -7.603 0.472 317 HG21 VAL 43 3HG2 VAL 43 -2.110 -9.079 0.391 318 HG22 VAL 43 1HG2 VAL 43 -2.651 -7.630 -0.522 319 HG23 VAL 43 2HG2 VAL 43 -3.132 -7.841 1.195 320 H ASP 44 H ASP 44 -7.007 -10.204 1.925 321 HA ASP 44 HA ASP 44 -8.093 -11.864 -0.227 322 HB2 ASP 44 2HB ASP 44 -8.692 -12.355 2.137 323 HB3 ASP 44 3HB ASP 44 -9.338 -10.719 2.321 324 H LEU 45 H LEU 45 -8.672 -10.805 -2.091 325 HA LEU 45 HA LEU 45 -9.007 -7.931 -1.958 326 HB2 LEU 45 2HB LEU 45 -7.625 -9.136 -3.695 327 HB3 LEU 45 3HB LEU 45 -9.107 -9.871 -4.319 328 HG LEU 45 HG LEU 45 -9.996 -7.625 -4.913 329 HD11 LEU 45 1HD1 LEU 45 -8.529 -5.648 -4.748 330 HD12 LEU 45 2HD1 LEU 45 -8.895 -6.335 -3.129 331 HD13 LEU 45 3HD1 LEU 45 -7.296 -6.632 -3.890 332 HD21 LEU 45 3HD2 LEU 45 -8.669 -8.914 -6.546 333 HD22 LEU 45 1HD2 LEU 45 -8.392 -7.150 -6.734 334 HD23 LEU 45 2HD2 LEU 45 -7.160 -8.170 -5.916 335 H ARG 46 H ARG 46 -11.052 -7.675 -0.838 336 HA ARG 46 HA ARG 46 -13.131 -7.384 -2.697 337 HB2 ARG 46 2HB ARG 46 -14.816 -8.860 -1.672 338 HB3 ARG 46 3HB ARG 46 -13.541 -9.711 -2.554 339 HG2 ARG 46 2HG ARG 46 -12.405 -10.210 -0.383 340 HG3 ARG 46 3HG ARG 46 -13.730 -9.410 0.474 341 HD2 ARG 46 2HD ARG 46 -15.312 -11.035 -0.334 342 HD3 ARG 46 3HD ARG 46 -14.084 -11.781 -1.366 343 HE ARG 46 HE ARG 46 -13.047 -11.951 1.196 344 HH11 ARG 46 1HH1 ARG 46 -16.034 -13.000 -0.332 345 HH12 ARG 46 2HH1 ARG 46 -16.196 -14.395 0.682 346 HH21 ARG 46 1HH2 ARG 46 -13.276 -13.734 2.497 347 HH22 ARG 46 2HH2 ARG 46 -14.614 -14.817 2.306 348 H GLU 47 H GLU 47 -15.002 -6.227 -1.755 349 HA GLU 47 HA GLU 47 -14.273 -4.506 0.349 350 HB2 GLU 47 2HB GLU 47 -15.932 -4.065 -1.512 351 HB3 GLU 47 3HB GLU 47 -17.054 -5.181 -0.723 352 HG2 GLU 47 2HG GLU 47 -17.243 -3.742 1.226 353 HG3 GLU 47 3HG GLU 47 -15.920 -2.710 0.669 354 H GLY 48 H GLY 48 -14.389 -4.733 2.568 355 HA2 GLY 48 2HA GLY 48 -15.191 -5.593 4.550 356 HA3 GLY 48 3HA GLY 48 -16.132 -6.802 3.666 357 H GLY 49 H GLY 49 -13.226 -7.025 2.085 358 HA2 GLY 49 2HA GLY 49 -12.575 -9.412 3.587 359 HA3 GLY 49 3HA GLY 49 -11.893 -8.871 2.047 360 H ALA 50 H ALA 50 -10.340 -9.926 4.302 361 HA ALA 50 HA ALA 50 -9.166 -7.484 5.459 362 HB1 ALA 50 3HB ALA 50 -9.160 -10.392 6.409 363 HB2 ALA 50 1HB ALA 50 -8.361 -9.016 7.242 364 HB3 ALA 50 2HB ALA 50 -10.149 -9.054 7.084 365 H PHE 51 H PHE 51 -6.831 -7.296 5.613 366 HA PHE 51 HA PHE 51 -5.298 -9.417 4.308 367 HB2 PHE 51 2HB PHE 51 -4.125 -7.940 2.866 368 HB3 PHE 51 3HB PHE 51 -5.839 -7.579 2.622 369 HD1 PHE 51 HD1 PHE 51 -6.825 -5.491 3.503 370 HD2 PHE 51 HD2 PHE 51 -2.629 -6.326 3.884 371 HE1 PHE 51 HE1 PHE 51 -6.396 -3.107 4.012 372 HE2 PHE 51 HE2 PHE 51 -2.202 -3.943 4.398 373 HZ PHE 51 HZ PHE 51 -4.082 -2.329 4.459 374 H SER 52 H SER 52 -2.956 -9.324 4.887 375 HA SER 52 HA SER 52 -2.223 -7.413 6.952 376 HB2 SER 52 2HB SER 52 -3.281 -9.207 8.251 377 HB3 SER 52 3HB SER 52 -2.313 -10.428 7.413 378 HG SER 52 HG SER 52 -1.430 -9.861 9.478 379 H SER 53 H SER 53 -0.105 -6.812 6.684 380 HA SER 53 HA SER 53 1.701 -8.778 5.452 381 HB2 SER 53 2HB SER 53 1.352 -5.852 4.654 382 HB3 SER 53 3HB SER 53 2.700 -6.877 4.144 383 HG SER 53 HG SER 53 1.001 -6.804 2.574 384 H ARG 54 H ARG 54 3.589 -8.992 6.594 385 HA ARG 54 HA ARG 54 4.453 -6.734 8.228 386 HB2 ARG 54 2HB ARG 54 3.045 -7.967 9.742 387 HB3 ARG 54 3HB ARG 54 3.851 -9.487 9.336 388 HG2 ARG 54 2HG ARG 54 5.963 -8.650 10.305 389 HG3 ARG 54 3HG ARG 54 5.198 -7.097 10.668 390 HD2 ARG 54 2HD ARG 54 5.364 -8.506 12.633 391 HD3 ARG 54 3HD ARG 54 3.683 -8.141 12.222 392 HE ARG 54 HE ARG 54 5.025 -10.764 11.870 393 HH11 ARG 54 1HH1 ARG 54 2.084 -8.852 12.083 394 HH12 ARG 54 2HH1 ARG 54 1.047 -10.239 12.096 395 HH21 ARG 54 1HH2 ARG 54 3.683 -12.532 11.903 396 HH22 ARG 54 2HH2 ARG 54 1.963 -12.351 11.994 397 H MET 55 H MET 55 6.675 -6.470 8.115 398 HA MET 55 HA MET 55 8.249 -8.848 7.384 399 HB2 MET 55 2HB MET 55 9.036 -5.902 7.579 400 HB3 MET 55 3HB MET 55 10.076 -7.222 7.030 401 HG2 MET 55 2HG MET 55 8.542 -7.626 5.105 402 HG3 MET 55 3HG MET 55 7.508 -6.301 5.653 403 HE1 MET 55 3HE MET 55 11.252 -6.609 3.440 404 HE2 MET 55 1HE MET 55 11.916 -5.873 4.938 405 HE3 MET 55 2HE MET 55 10.972 -7.398 5.029 406 H GLU 56 H GLU 56 9.553 -9.868 8.880 407 HA GLU 56 HA GLU 56 9.969 -8.433 11.430 408 HB2 GLU 56 2HB GLU 56 9.610 -11.425 10.911 409 HB3 GLU 56 3HB GLU 56 10.061 -10.713 12.466 410 HG2 GLU 56 2HG GLU 56 7.908 -9.552 12.626 411 HG3 GLU 56 3HG GLU 56 7.462 -10.063 10.993 412 H ALA 57 H ALA 57 12.010 -9.226 12.618 413 HA ALA 57 HA ALA 57 14.105 -9.282 10.548 414 HB1 ALA 57 3HB ALA 57 14.092 -8.190 13.404 415 HB2 ALA 57 1HB ALA 57 15.486 -8.149 12.273 416 HB3 ALA 57 2HB ALA 57 13.994 -7.223 11.894 417 H LYS 58 H LYS 58 15.545 -10.965 10.472 418 HA LYS 58 HA LYS 58 15.339 -13.005 12.532 419 HB2 LYS 58 2HB LYS 58 15.401 -13.624 10.138 420 HB3 LYS 58 3HB LYS 58 16.957 -12.806 9.946 421 HG2 LYS 58 2HG LYS 58 17.439 -15.141 10.123 422 HG3 LYS 58 3HG LYS 58 17.930 -14.418 11.661 423 HD2 LYS 58 2HD LYS 58 15.786 -15.138 12.704 424 HD3 LYS 58 3HD LYS 58 15.248 -15.818 11.163 425 HE2 LYS 58 2HE LYS 58 17.269 -17.346 11.186 426 HE3 LYS 58 3HE LYS 58 17.687 -16.716 12.785 427 HZ1 LYS 58 3HZ LYS 58 15.176 -18.107 12.107 428 HZ2 LYS 58 1HZ LYS 58 16.430 -18.745 12.935 429 HZ3 LYS 58 2HZ LYS 58 15.561 -17.525 13.583 430 H ASP 59 H ASP 59 17.635 -10.467 11.383 431 HA ASP 59 HA ASP 59 19.498 -11.353 13.487 432 HB2 ASP 59 2HB ASP 59 19.928 -9.586 11.029 433 HB3 ASP 59 3HB ASP 59 21.163 -9.979 12.232 434 H GLY 60 H GLY 60 17.172 -8.880 12.580 435 HA2 GLY 60 2HA GLY 60 16.507 -7.333 14.256 436 HA3 GLY 60 3HA GLY 60 18.180 -7.240 14.819 437 H SER 61 H SER 61 17.029 -7.112 11.365 438 HA SER 61 HA SER 61 18.671 -4.716 11.082 439 HB2 SER 61 2HB SER 61 17.240 -6.505 9.066 440 HB3 SER 61 3HB SER 61 18.281 -5.136 8.655 441 HG SER 61 HG SER 61 19.319 -7.269 8.626 442 H MET 62 H MET 62 15.257 -5.814 10.348 443 HA MET 62 HA MET 62 14.279 -3.164 10.864 444 HB2 MET 62 2HB MET 62 13.433 -2.730 8.621 445 HB3 MET 62 3HB MET 62 15.197 -2.856 8.591 446 HG2 MET 62 2HG MET 62 15.044 -5.158 7.700 447 HG3 MET 62 3HG MET 62 13.279 -5.098 7.794 448 HE1 MET 62 3HE MET 62 12.466 -2.125 6.568 449 HE2 MET 62 1HE MET 62 12.158 -2.842 4.950 450 HE3 MET 62 2HE MET 62 11.763 -3.772 6.435 451 H GLY 63 H GLY 63 11.822 -3.090 10.557 452 HA2 GLY 63 2HA GLY 63 10.454 -5.396 9.666 453 HA3 GLY 63 3HA GLY 63 10.518 -5.395 11.434 454 H PHE 64 H PHE 64 8.061 -5.158 9.899 455 HA PHE 64 HA PHE 64 6.957 -2.802 11.010 456 HB2 PHE 64 2HB PHE 64 8.287 -1.847 9.065 457 HB3 PHE 64 3HB PHE 64 7.288 -2.813 7.972 458 HD1 PHE 64 HD1 PHE 64 7.234 -0.032 10.444 459 HD2 PHE 64 HD2 PHE 64 5.062 -2.145 7.397 460 HE1 PHE 64 HE1 PHE 64 5.529 1.762 10.411 461 HE2 PHE 64 HE2 PHE 64 3.362 -0.347 7.363 462 HZ PHE 64 HZ PHE 64 3.594 1.612 8.868 463 H ASP 65 H ASP 65 4.678 -2.930 11.019 464 HA ASP 65 HA ASP 65 3.546 -5.167 9.475 465 HB2 ASP 65 2HB ASP 65 4.006 -5.856 11.838 466 HB3 ASP 65 3HB ASP 65 3.031 -4.498 12.416 467 H PHE 66 H PHE 66 1.891 -4.437 8.195 468 HA PHE 66 HA PHE 66 0.027 -2.555 9.472 469 HB2 PHE 66 2HB PHE 66 -0.270 -1.381 7.350 470 HB3 PHE 66 3HB PHE 66 1.418 -1.281 7.866 471 HD1 PHE 66 HD1 PHE 66 3.174 -2.568 6.693 472 HD2 PHE 66 HD2 PHE 66 -0.908 -2.596 5.354 473 HE1 PHE 66 HE1 PHE 66 3.896 -3.476 4.506 474 HE2 PHE 66 HE2 PHE 66 -0.185 -3.507 3.170 475 HZ PHE 66 HZ PHE 66 2.217 -3.947 2.740 476 H ALA 67 H ALA 67 -2.158 -3.059 9.164 477 HA ALA 67 HA ALA 67 -2.900 -5.052 7.209 478 HB1 ALA 67 3HB ALA 67 -3.036 -5.630 10.208 479 HB2 ALA 67 1HB ALA 67 -3.789 -6.622 8.914 480 HB3 ALA 67 2HB ALA 67 -2.001 -6.474 9.007 481 H GLY 68 H GLY 68 -5.309 -5.407 7.189 482 HA2 GLY 68 2HA GLY 68 -7.042 -3.980 8.856 483 HA3 GLY 68 3HA GLY 68 -6.655 -2.948 7.473 484 H THR 69 H THR 69 -9.311 -3.755 7.805 485 HA THR 69 HA THR 69 -9.527 -5.556 5.493 486 HB THR 69 HB THR 69 -10.517 -6.595 7.502 487 HG1 THR 69 HG1 THR 69 -12.376 -7.151 6.457 488 HG21 THR 69 3HG2 THR 69 -12.246 -4.076 7.621 489 HG22 THR 69 1HG2 THR 69 -12.448 -5.540 8.641 490 HG23 THR 69 2HG2 THR 69 -10.965 -4.539 8.791 491 H TYR 70 H TYR 70 -11.254 -4.999 3.923 492 HA TYR 70 HA TYR 70 -11.135 -2.208 3.417 493 HB2 TYR 70 2HB TYR 70 -12.706 -4.471 2.088 494 HB3 TYR 70 3HB TYR 70 -12.560 -2.830 1.443 495 HD1 TYR 70 HD1 TYR 70 -9.522 -3.684 3.076 496 HD2 TYR 70 HD2 TYR 70 -11.717 -4.373 -0.547 497 HE1 TYR 70 HE1 TYR 70 -7.422 -4.318 1.929 498 HE2 TYR 70 HE2 TYR 70 -9.623 -5.013 -1.699 499 HH TYR 70 HH TYR 70 -7.440 -5.300 -1.538 500 H THR 71 H THR 71 -12.665 -0.584 3.697 501 HA THR 71 HA THR 71 -15.122 -1.394 5.053 502 HB THR 71 HB THR 71 -15.358 1.005 5.602 503 HG1 THR 71 HG1 THR 71 -13.681 2.480 4.959 504 HG21 THR 71 3HG2 THR 71 -12.545 -0.067 6.146 505 HG22 THR 71 1HG2 THR 71 -13.366 1.245 7.057 506 HG23 THR 71 2HG2 THR 71 -14.021 -0.427 7.104 507 H LYS 72 H LYS 72 -13.863 -0.059 1.990 508 HA LYS 72 HA LYS 72 -16.397 -0.322 0.735 509 HB2 LYS 72 2HB LYS 72 -16.702 1.823 2.048 510 HB3 LYS 72 3HB LYS 72 -15.357 2.520 1.135 511 HG2 LYS 72 2HG LYS 72 -16.606 2.260 -0.977 512 HG3 LYS 72 3HG LYS 72 -17.928 1.447 -0.128 513 HD2 LYS 72 2HD LYS 72 -18.219 3.537 1.294 514 HD3 LYS 72 3HD LYS 72 -16.999 4.337 0.294 515 HE2 LYS 72 2HE LYS 72 -18.396 3.940 -1.739 516 HE3 LYS 72 3HE LYS 72 -19.612 3.122 -0.749 517 HZ1 LYS 72 3HZ LYS 72 -18.793 5.941 -0.450 518 HZ2 LYS 72 1HZ LYS 72 -20.181 5.416 -1.131 519 HZ3 LYS 72 2HZ LYS 72 -19.916 5.185 0.463 520 H VAL 73 H VAL 73 -16.119 -0.468 -1.515 521 HA VAL 73 HA VAL 73 -13.601 0.601 -2.561 522 HB VAL 73 HB VAL 73 -14.802 -2.142 -3.200 523 HG11 VAL 73 1HG1 VAL 73 -12.808 -2.435 -4.636 524 HG12 VAL 73 2HG1 VAL 73 -13.837 -1.071 -5.190 525 HG13 VAL 73 3HG1 VAL 73 -12.316 -0.742 -4.292 526 HG21 VAL 73 3HG2 VAL 73 -13.637 -2.092 -1.034 527 HG22 VAL 73 1HG2 VAL 73 -12.692 -3.022 -2.246 528 HG23 VAL 73 2HG2 VAL 73 -12.197 -1.351 -1.811 529 H VAL 74 H VAL 74 -13.930 1.871 -4.378 530 HA VAL 74 HA VAL 74 -16.556 1.587 -5.668 531 HB VAL 74 HB VAL 74 -14.953 4.135 -5.107 532 HG11 VAL 74 1HG1 VAL 74 -16.890 5.318 -6.089 533 HG12 VAL 74 2HG1 VAL 74 -16.090 4.239 -7.281 534 HG13 VAL 74 3HG1 VAL 74 -17.634 3.739 -6.512 535 HG21 VAL 74 3HG2 VAL 74 -16.086 3.247 -3.115 536 HG22 VAL 74 1HG2 VAL 74 -16.889 4.747 -3.691 537 HG23 VAL 74 2HG2 VAL 74 -17.632 3.146 -4.023 538 H GLU 75 H GLU 75 -16.378 0.989 -7.806 539 HA GLU 75 HA GLU 75 -15.477 0.617 -9.812 540 HB2 GLU 75 2HB GLU 75 -14.533 3.496 -9.408 541 HB3 GLU 75 3HB GLU 75 -14.627 2.655 -10.961 542 HG2 GLU 75 2HG GLU 75 -17.103 2.423 -10.675 543 HG3 GLU 75 3HG GLU 75 -17.000 3.286 -9.134 544 H ASN 76 H ASN 76 -13.744 -0.205 -7.540 545 HA ASN 76 HA ASN 76 -11.670 -0.809 -7.076 546 HB2 ASN 76 2HB ASN 76 -11.225 -0.572 -10.076 547 HB3 ASN 76 3HB ASN 76 -10.215 -1.465 -8.932 548 HD21 ASN 76 1HD2 ASN 76 -12.384 -1.867 -11.253 549 HD22 ASN 76 2HD2 ASN 76 -13.089 -3.371 -10.760 550 H LYS 77 H LYS 77 -11.794 1.683 -6.235 551 HA LYS 77 HA LYS 77 -9.476 3.064 -7.382 552 HB2 LYS 77 2HB LYS 77 -12.291 4.189 -7.025 553 HB3 LYS 77 3HB LYS 77 -10.857 5.214 -7.171 554 HG2 LYS 77 2HG LYS 77 -10.385 4.271 -9.417 555 HG3 LYS 77 3HG LYS 77 -11.774 3.186 -9.272 556 HD2 LYS 77 2HD LYS 77 -13.280 5.197 -9.025 557 HD3 LYS 77 3HD LYS 77 -11.878 6.250 -9.258 558 HE2 LYS 77 2HE LYS 77 -11.484 5.276 -11.506 559 HE3 LYS 77 3HE LYS 77 -12.824 4.144 -11.274 560 HZ1 LYS 77 3HZ LYS 77 -13.126 7.079 -11.258 561 HZ2 LYS 77 1HZ LYS 77 -13.421 6.125 -12.550 562 HZ3 LYS 77 2HZ LYS 77 -14.331 5.980 -11.203 563 H ARG 78 H ARG 78 -11.396 2.019 -4.666 564 HA ARG 78 HA ARG 78 -9.845 3.778 -2.905 565 HB2 ARG 78 2HB ARG 78 -11.925 4.928 -3.174 566 HB3 ARG 78 3HB ARG 78 -12.851 3.452 -2.876 567 HG2 ARG 78 2HG ARG 78 -11.995 3.371 -0.554 568 HG3 ARG 78 3HG ARG 78 -11.038 4.829 -0.848 569 HD2 ARG 78 2HD ARG 78 -13.021 6.144 -1.175 570 HD3 ARG 78 3HD ARG 78 -14.046 4.704 -1.109 571 HE ARG 78 HE ARG 78 -12.672 4.774 1.317 572 HH11 ARG 78 1HH1 ARG 78 -14.875 6.906 -0.400 573 HH12 ARG 78 2HH1 ARG 78 -15.567 7.548 1.053 574 HH21 ARG 78 1HH2 ARG 78 -13.559 5.615 3.169 575 HH22 ARG 78 2HH2 ARG 78 -14.812 6.809 3.102 576 H ILE 79 H ILE 79 -8.910 2.660 -1.229 577 HA ILE 79 HA ILE 79 -10.423 0.373 -0.210 578 HB ILE 79 HB ILE 79 -7.423 0.424 -0.827 579 HG12 ILE 79 2HG1 ILE 79 -9.672 -1.407 -1.785 580 HG13 ILE 79 3HG1 ILE 79 -8.952 -0.097 -2.729 581 HG21 ILE 79 1HG2 ILE 79 -7.361 -1.833 0.181 582 HG22 ILE 79 2HG2 ILE 79 -7.828 -0.579 1.379 583 HG23 ILE 79 3HG2 ILE 79 -9.080 -1.657 0.673 584 HD11 ILE 79 3HD1 ILE 79 -7.482 -2.563 -1.693 585 HD12 ILE 79 1HD1 ILE 79 -8.020 -2.272 -3.381 586 HD13 ILE 79 2HD1 ILE 79 -6.750 -1.232 -2.651 587 H GLU 80 H GLU 80 -10.904 0.846 1.910 588 HA GLU 80 HA GLU 80 -8.895 2.415 3.401 589 HB2 GLU 80 2HB GLU 80 -10.895 3.756 2.867 590 HB3 GLU 80 3HB GLU 80 -11.947 2.499 3.532 591 HG2 GLU 80 2HG GLU 80 -10.857 2.849 5.787 592 HG3 GLU 80 3HG GLU 80 -9.929 4.184 5.093 593 H TYR 81 H TYR 81 -8.368 1.704 5.496 594 HA TYR 81 HA TYR 81 -9.766 -0.625 6.534 595 HB2 TYR 81 2HB TYR 81 -7.775 -2.033 6.529 596 HB3 TYR 81 3HB TYR 81 -8.189 -1.575 4.871 597 HD1 TYR 81 HD1 TYR 81 -6.789 0.052 3.627 598 HD2 TYR 81 HD2 TYR 81 -5.715 -1.257 7.571 599 HE1 TYR 81 HE1 TYR 81 -4.495 0.916 3.286 600 HE2 TYR 81 HE2 TYR 81 -3.420 -0.396 7.238 601 HH TYR 81 HH TYR 81 -2.007 0.617 5.875 602 H ALA 82 H ALA 82 -8.610 -1.369 8.665 603 HA ALA 82 HA ALA 82 -7.468 1.015 9.975 604 HB1 ALA 82 3HB ALA 82 -9.580 -0.918 11.050 605 HB2 ALA 82 1HB ALA 82 -8.792 0.398 11.984 606 HB3 ALA 82 2HB ALA 82 -9.845 0.796 10.585 607 H PHE 83 H PHE 83 -5.840 0.629 11.537 608 HA PHE 83 HA PHE 83 -5.070 -2.198 11.852 609 HB2 PHE 83 2HB PHE 83 -3.638 -1.137 10.135 610 HB3 PHE 83 3HB PHE 83 -3.261 0.190 11.241 611 HD1 PHE 83 HD1 PHE 83 -3.210 -3.583 11.296 612 HD2 PHE 83 HD2 PHE 83 -1.209 0.084 12.295 613 HE1 PHE 83 HE1 PHE 83 -1.290 -4.872 12.187 614 HE2 PHE 83 HE2 PHE 83 0.710 -1.205 13.181 615 HZ PHE 83 HZ PHE 83 0.670 -3.684 13.132 616 H GLY 84 H GLY 84 -5.385 -2.639 14.016 617 HA2 GLY 84 2HA GLY 84 -5.252 -2.425 16.244 618 HA3 GLY 84 3HA GLY 84 -4.010 -1.187 16.011 619 H ASP 85 H ASP 85 -4.534 0.788 16.914 620 HA ASP 85 HA ASP 85 -7.368 1.576 16.831 621 HB2 ASP 85 2HB ASP 85 -6.734 3.265 18.485 622 HB3 ASP 85 3HB ASP 85 -6.284 1.648 19.041 623 H ARG 86 H ARG 86 -5.062 1.613 14.615 624 HA ARG 86 HA ARG 86 -5.299 4.488 14.043 625 HB2 ARG 86 2HB ARG 86 -3.322 2.472 12.945 626 HB3 ARG 86 3HB ARG 86 -3.413 4.186 12.518 627 HG2 ARG 86 2HG ARG 86 -2.809 3.074 15.293 628 HG3 ARG 86 3HG ARG 86 -1.613 3.690 14.145 629 HD2 ARG 86 2HD ARG 86 -3.220 5.826 14.240 630 HD3 ARG 86 3HD ARG 86 -3.592 5.140 15.827 631 HE ARG 86 HE ARG 86 -1.121 6.415 15.000 632 HH11 ARG 86 1HH1 ARG 86 -2.598 4.258 17.350 633 HH12 ARG 86 2HH1 ARG 86 -1.355 4.506 18.530 634 HH21 ARG 86 1HH2 ARG 86 0.456 6.734 16.528 635 HH22 ARG 86 2HH2 ARG 86 0.398 5.929 18.060 636 H THR 87 H THR 87 -5.685 5.114 11.733 637 HA THR 87 HA THR 87 -6.959 2.942 10.220 638 HB THR 87 HB THR 87 -8.526 4.625 9.280 639 HG1 THR 87 HG1 THR 87 -8.611 6.733 10.343 640 HG21 THR 87 3HG2 THR 87 -8.501 4.557 12.337 641 HG22 THR 87 1HG2 THR 87 -9.912 4.966 11.305 642 HG23 THR 87 2HG2 THR 87 -9.211 3.313 11.254 643 H ALA 88 H ALA 88 -6.766 3.138 7.840 644 HA ALA 88 HA ALA 88 -5.104 5.303 6.844 645 HB1 ALA 88 3HB ALA 88 -4.320 2.356 6.598 646 HB2 ALA 88 1HB ALA 88 -3.541 3.724 5.733 647 HB3 ALA 88 2HB ALA 88 -3.438 3.618 7.523 648 H LYS 89 H LYS 89 -5.383 5.671 4.581 649 HA LYS 89 HA LYS 89 -7.366 3.910 3.299 650 HB2 LYS 89 2HB LYS 89 -8.526 5.901 4.154 651 HB3 LYS 89 3HB LYS 89 -7.332 6.962 3.396 652 HG2 LYS 89 2HG LYS 89 -8.056 6.222 1.149 653 HG3 LYS 89 3HG LYS 89 -9.196 5.077 1.868 654 HD2 LYS 89 2HD LYS 89 -10.395 7.109 1.202 655 HD3 LYS 89 3HD LYS 89 -10.410 6.970 2.965 656 HE2 LYS 89 2HE LYS 89 -8.831 8.707 3.256 657 HE3 LYS 89 3HE LYS 89 -8.192 8.544 1.615 658 HZ1 LYS 89 3HZ LYS 89 -10.900 9.534 2.237 659 HZ2 LYS 89 1HZ LYS 89 -9.614 10.491 1.927 660 HZ3 LYS 89 2HZ LYS 89 -10.194 9.501 0.765 661 H VAL 90 H VAL 90 -6.813 3.295 1.227 662 HA VAL 90 HA VAL 90 -4.669 4.857 -0.037 663 HB VAL 90 HB VAL 90 -5.465 1.929 -0.457 664 HG11 VAL 90 1HG1 VAL 90 -3.431 1.815 -1.863 665 HG12 VAL 90 2HG1 VAL 90 -4.634 2.977 -2.519 666 HG13 VAL 90 3HG1 VAL 90 -3.186 3.580 -1.644 667 HG21 VAL 90 3HG2 VAL 90 -4.349 2.299 1.701 668 HG22 VAL 90 1HG2 VAL 90 -3.268 1.425 0.565 669 HG23 VAL 90 2HG2 VAL 90 -3.016 3.176 0.877 670 H GLU 91 H GLU 91 -5.136 5.874 -1.983 671 HA GLU 91 HA GLU 91 -7.666 5.092 -3.284 672 HB2 GLU 91 2HB GLU 91 -6.569 7.875 -2.678 673 HB3 GLU 91 3HB GLU 91 -7.869 7.571 -3.837 674 HG2 GLU 91 2HG GLU 91 -9.212 6.510 -1.972 675 HG3 GLU 91 3HG GLU 91 -7.934 6.970 -0.840 676 H PHE 92 H PHE 92 -7.718 5.317 -5.606 677 HA PHE 92 HA PHE 92 -5.063 5.818 -6.795 678 HB2 PHE 92 2HB PHE 92 -7.318 3.926 -7.616 679 HB3 PHE 92 3HB PHE 92 -5.954 4.331 -8.667 680 HD1 PHE 92 HD1 PHE 92 -6.745 2.941 -5.269 681 HD2 PHE 92 HD2 PHE 92 -3.962 3.106 -8.539 682 HE1 PHE 92 HE1 PHE 92 -5.402 1.149 -4.217 683 HE2 PHE 92 HE2 PHE 92 -2.620 1.312 -7.485 684 HZ PHE 92 HZ PHE 92 -3.335 0.334 -5.319 685 H LEU 93 H LEU 93 -4.928 7.534 -8.186 686 HA LEU 93 HA LEU 93 -7.489 8.629 -9.173 687 HB2 LEU 93 2HB LEU 93 -6.366 10.142 -7.622 688 HB3 LEU 93 3HB LEU 93 -4.826 9.952 -8.472 689 HG LEU 93 HG LEU 93 -5.881 11.038 -10.510 690 HD11 LEU 93 1HD1 LEU 93 -7.982 12.288 -10.177 691 HD12 LEU 93 2HD1 LEU 93 -8.229 10.520 -9.981 692 HD13 LEU 93 3HD1 LEU 93 -8.145 11.581 -8.534 693 HD21 LEU 93 3HD2 LEU 93 -4.470 12.287 -8.913 694 HD22 LEU 93 1HD2 LEU 93 -5.797 13.317 -9.549 695 HD23 LEU 93 2HD2 LEU 93 -5.911 12.624 -7.896 696 H GLU 94 H GLU 94 -7.823 8.603 -11.360 697 HA GLU 94 HA GLU 94 -5.667 7.649 -13.041 698 HB2 GLU 94 2HB GLU 94 -7.999 6.805 -13.259 699 HB3 GLU 94 3HB GLU 94 -8.560 8.439 -13.637 700 HG2 GLU 94 2HG GLU 94 -7.142 8.450 -15.692 701 HG3 GLU 94 3HG GLU 94 -6.584 6.815 -15.315 702 H ALA 95 H ALA 95 -4.221 8.992 -14.030 703 HA ALA 95 HA ALA 95 -5.174 11.711 -14.686 704 HB1 ALA 95 3HB ALA 95 -2.353 10.669 -14.129 705 HB2 ALA 95 1HB ALA 95 -2.776 12.347 -14.613 706 HB3 ALA 95 2HB ALA 95 -3.344 11.696 -13.038 707 HA PRO 96 HA PRO 96 -4.512 10.892 -18.958 708 HB2 PRO 96 2HB PRO 96 -3.346 13.308 -19.783 709 HB3 PRO 96 3HB PRO 96 -5.066 13.201 -19.383 710 HG2 PRO 96 2HG PRO 96 -2.759 14.147 -17.655 711 HG3 PRO 96 3HG PRO 96 -4.358 14.872 -17.870 712 HD2 PRO 96 2HD PRO 96 -3.807 13.369 -15.677 713 HD3 PRO 96 3HD PRO 96 -5.410 13.312 -16.421 714 H GLN 97 H GLN 97 -1.680 11.933 -17.046 715 HA GLN 97 HA GLN 97 0.047 10.913 -19.184 716 HB2 GLN 97 2HB GLN 97 0.662 12.380 -16.569 717 HB3 GLN 97 3HB GLN 97 1.867 11.881 -17.763 718 HG2 GLN 97 2HG GLN 97 0.784 13.352 -19.462 719 HG3 GLN 97 3HG GLN 97 -0.409 13.858 -18.259 720 HE21 GLN 97 1HE2 GLN 97 0.668 15.970 -19.090 721 HE22 GLN 97 2HE2 GLN 97 1.985 16.570 -18.138 722 H GLY 98 H GLY 98 -1.511 9.856 -16.257 723 HA2 GLY 98 2HA GLY 98 -0.379 7.324 -16.301 724 HA3 GLY 98 3HA GLY 98 0.597 8.287 -15.184 725 H VAL 99 H VAL 99 -0.413 6.435 -13.726 726 HA VAL 99 HA VAL 99 -2.922 7.524 -12.643 727 HB VAL 99 HB VAL 99 -1.781 4.685 -12.543 728 HG11 VAL 99 1HG1 VAL 99 -3.841 4.101 -11.299 729 HG12 VAL 99 2HG1 VAL 99 -2.824 5.274 -10.396 730 HG13 VAL 99 3HG1 VAL 99 -4.299 5.836 -11.253 731 HG21 VAL 99 3HG2 VAL 99 -2.844 5.267 -14.679 732 HG22 VAL 99 1HG2 VAL 99 -3.850 4.095 -13.764 733 HG23 VAL 99 2HG2 VAL 99 -4.312 5.830 -13.811 734 H THR 100 H THR 100 -2.886 8.287 -10.529 735 HA THR 100 HA THR 100 -0.268 8.145 -9.242 736 HB THR 100 HB THR 100 -2.664 10.008 -8.837 737 HG1 THR 100 HG1 THR 100 0.031 10.555 -9.784 738 HG21 THR 100 3HG2 THR 100 0.087 10.009 -7.500 739 HG22 THR 100 1HG2 THR 100 -1.171 11.279 -7.321 740 HG23 THR 100 2HG2 THR 100 -1.477 9.618 -6.708 741 H VAL 101 H VAL 101 0.029 6.990 -7.345 742 HA VAL 101 HA VAL 101 -2.403 5.900 -6.128 743 HB VAL 101 HB VAL 101 0.511 4.977 -5.940 744 HG11 VAL 101 1HG1 VAL 101 -0.436 2.969 -4.845 745 HG12 VAL 101 2HG1 VAL 101 -0.769 4.463 -3.906 746 HG13 VAL 101 3HG1 VAL 101 -2.068 3.717 -4.896 747 HG21 VAL 101 3HG2 VAL 101 -0.445 4.612 -8.174 748 HG22 VAL 101 1HG2 VAL 101 -0.250 3.055 -7.302 749 HG23 VAL 101 2HG2 VAL 101 -1.875 3.806 -7.445 750 H ARG 102 H ARG 102 -3.033 6.714 -4.152 751 HA ARG 102 HA ARG 102 -0.976 8.208 -2.660 752 HB2 ARG 102 2HB ARG 102 -2.539 9.748 -3.592 753 HB3 ARG 102 3HB ARG 102 -3.919 8.792 -3.036 754 HG2 ARG 102 2HG ARG 102 -3.233 9.234 -0.668 755 HG3 ARG 102 3HG ARG 102 -1.911 10.248 -1.262 756 HD2 ARG 102 2HD ARG 102 -4.848 10.725 -1.804 757 HD3 ARG 102 3HD ARG 102 -3.917 11.487 -0.507 758 HE ARG 102 HE ARG 102 -2.528 12.062 -2.845 759 HH11 ARG 102 1HH1 ARG 102 -5.796 12.621 -1.681 760 HH12 ARG 102 2HH1 ARG 102 -5.972 14.109 -2.550 761 HH21 ARG 102 1HH2 ARG 102 -2.775 13.962 -3.964 762 HH22 ARG 102 2HH2 ARG 102 -4.241 14.879 -3.860 763 H VAL 103 H VAL 103 -0.539 7.520 -0.600 764 HA VAL 103 HA VAL 103 -2.617 5.870 0.671 765 HB VAL 103 HB VAL 103 0.424 5.728 1.004 766 HG11 VAL 103 1HG1 VAL 103 -0.047 3.768 2.441 767 HG12 VAL 103 2HG1 VAL 103 -0.758 5.275 3.110 768 HG13 VAL 103 3HG1 VAL 103 -1.809 4.079 2.279 769 HG21 VAL 103 3HG2 VAL 103 -0.347 4.766 -1.123 770 HG22 VAL 103 1HG2 VAL 103 0.189 3.475 0.005 771 HG23 VAL 103 2HG2 VAL 103 -1.563 3.775 -0.248 772 H SER 104 H SER 104 -3.544 6.878 2.428 773 HA SER 104 HA SER 104 -1.827 8.743 3.950 774 HB2 SER 104 2HB SER 104 -4.840 8.668 3.487 775 HB3 SER 104 3HB SER 104 -4.060 9.687 4.704 776 HG SER 104 HG SER 104 -4.423 10.807 2.712 777 H PHE 105 H PHE 105 -1.499 8.342 6.125 778 HA PHE 105 HA PHE 105 -3.142 6.307 7.416 779 HB2 PHE 105 2HB PHE 105 -1.108 5.042 8.108 780 HB3 PHE 105 3HB PHE 105 -1.423 4.951 6.370 781 HD1 PHE 105 HD1 PHE 105 0.004 6.197 4.766 782 HD2 PHE 105 HD2 PHE 105 0.860 6.141 8.975 783 HE1 PHE 105 HE1 PHE 105 2.303 6.991 4.309 784 HE2 PHE 105 HE2 PHE 105 3.160 6.937 8.518 785 HZ PHE 105 HZ PHE 105 3.884 7.366 6.185 786 H VAL 106 H VAL 106 -2.815 6.257 9.788 787 HA VAL 106 HA VAL 106 -2.107 8.886 10.738 788 HB VAL 106 HB VAL 106 -3.165 6.395 12.171 789 HG11 VAL 106 1HG1 VAL 106 -3.680 7.941 14.035 790 HG12 VAL 106 2HG1 VAL 106 -1.917 7.857 13.703 791 HG13 VAL 106 3HG1 VAL 106 -2.869 9.274 13.146 792 HG21 VAL 106 3HG2 VAL 106 -4.748 7.318 10.535 793 HG22 VAL 106 1HG2 VAL 106 -5.308 7.630 12.212 794 HG23 VAL 106 2HG2 VAL 106 -4.559 8.952 11.255 795 H ALA 107 H ALA 107 -0.363 9.397 12.140 796 HA ALA 107 HA ALA 107 1.953 7.869 11.760 797 HB1 ALA 107 3HB ALA 107 1.291 10.031 13.821 798 HB2 ALA 107 1HB ALA 107 2.938 9.447 13.407 799 HB3 ALA 107 2HB ALA 107 1.951 10.298 12.172 800 H GLU 108 H GLU 108 2.874 6.176 12.865 801 HA GLU 108 HA GLU 108 1.337 5.117 15.100 802 HB2 GLU 108 2HB GLU 108 2.060 3.679 13.184 803 HB3 GLU 108 3HB GLU 108 3.749 4.019 13.579 804 HG2 GLU 108 2HG GLU 108 3.101 1.828 14.456 805 HG3 GLU 108 3HG GLU 108 3.473 2.927 15.790 806 H THR 109 H THR 109 2.150 4.819 17.222 807 HA THR 109 HA THR 109 3.763 6.921 18.060 808 HB THR 109 HB THR 109 2.961 4.326 19.478 809 HG1 THR 109 HG1 THR 109 1.779 6.888 19.034 810 HG21 THR 109 3HG2 THR 109 4.067 6.941 20.615 811 HG22 THR 109 1HG2 THR 109 3.452 5.554 21.575 812 HG23 THR 109 2HG2 THR 109 4.922 5.363 20.561 813 H GLU 110 H GLU 110 4.558 3.529 17.169 814 HA GLU 110 HA GLU 110 7.091 3.621 18.550 815 HB2 GLU 110 2HB GLU 110 5.803 1.613 16.641 816 HB3 GLU 110 3HB GLU 110 7.376 1.376 17.414 817 HG2 GLU 110 2HG GLU 110 6.293 1.475 19.657 818 HG3 GLU 110 3HG GLU 110 4.719 1.726 18.890 819 H TYR 111 H TYR 111 5.871 4.666 15.443 820 HA TYR 111 HA TYR 111 8.619 4.593 14.366 821 HB2 TYR 111 2HB TYR 111 5.929 4.252 12.957 822 HB3 TYR 111 3HB TYR 111 7.457 4.520 12.109 823 HD1 TYR 111 HD1 TYR 111 9.237 2.782 12.146 824 HD2 TYR 111 HD2 TYR 111 5.406 2.101 13.957 825 HE1 TYR 111 HE1 TYR 111 9.693 0.351 12.188 826 HE2 TYR 111 HE2 TYR 111 5.856 -0.334 14.005 827 HH TYR 111 HH TYR 111 8.594 -1.735 12.321 828 HA PRO 112 HA PRO 112 8.139 9.040 14.626 829 HB2 PRO 112 2HB PRO 112 10.540 8.783 12.753 830 HB3 PRO 112 3HB PRO 112 10.381 9.785 14.201 831 HG2 PRO 112 2HG PRO 112 11.833 7.554 14.317 832 HG3 PRO 112 3HG PRO 112 10.772 7.965 15.671 833 HD2 PRO 112 2HD PRO 112 10.354 5.905 13.479 834 HD3 PRO 112 3HD PRO 112 9.941 5.802 15.195 835 H VAL 113 H VAL 113 7.379 10.727 13.370 836 HA VAL 113 HA VAL 113 5.724 9.946 11.326 837 HB VAL 113 HB VAL 113 6.935 12.665 12.014 838 HG11 VAL 113 1HG1 VAL 113 5.145 13.657 10.620 839 HG12 VAL 113 2HG1 VAL 113 6.279 12.662 9.645 840 HG13 VAL 113 3HG1 VAL 113 4.662 12.013 10.080 841 HG21 VAL 113 3HG2 VAL 113 5.496 11.671 13.738 842 HG22 VAL 113 1HG2 VAL 113 4.696 13.087 12.977 843 HG23 VAL 113 2HG2 VAL 113 4.194 11.422 12.527 844 H GLU 114 H GLU 114 9.044 11.458 11.112 845 HA GLU 114 HA GLU 114 8.954 11.751 8.305 846 HB2 GLU 114 2HB GLU 114 11.227 11.627 10.338 847 HB3 GLU 114 3HB GLU 114 11.489 11.939 8.616 848 HG2 GLU 114 2HG GLU 114 10.128 13.987 8.732 849 HG3 GLU 114 3HG GLU 114 9.707 13.653 10.417 850 H GLN 115 H GLN 115 10.289 9.145 10.477 851 HA GLN 115 HA GLN 115 11.586 7.800 8.345 852 HB2 GLN 115 2HB GLN 115 10.734 6.972 11.160 853 HB3 GLN 115 3HB GLN 115 11.641 5.910 10.075 854 HG2 GLN 115 2HG GLN 115 13.473 7.605 9.966 855 HG3 GLN 115 3HG GLN 115 12.569 8.643 11.075 856 HE21 GLN 115 1HE2 GLN 115 14.831 8.242 12.127 857 HE22 GLN 115 2HE2 GLN 115 14.892 6.963 13.294 858 H GLN 116 H GLN 116 8.323 7.511 9.894 859 HA GLN 116 HA GLN 116 7.698 5.071 8.569 860 HB2 GLN 116 2HB GLN 116 6.661 5.967 10.710 861 HB3 GLN 116 3HB GLN 116 5.837 7.195 9.741 862 HG2 GLN 116 2HG GLN 116 4.633 5.447 8.486 863 HG3 GLN 116 3HG GLN 116 5.509 4.182 9.358 864 HE21 GLN 116 1HE2 GLN 116 3.100 3.647 9.717 865 HE22 GLN 116 2HE2 GLN 116 2.381 4.274 11.163 866 H GLN 117 H GLN 117 7.130 8.589 7.858 867 HA GLN 117 HA GLN 117 5.491 8.242 5.634 868 HB2 GLN 117 2HB GLN 117 5.940 10.411 6.737 869 HB3 GLN 117 3HB GLN 117 7.635 10.339 6.239 870 HG2 GLN 117 2HG GLN 117 6.936 10.419 3.850 871 HG3 GLN 117 3HG GLN 117 5.241 10.490 4.348 872 HE21 GLN 117 1HE2 GLN 117 5.640 12.510 2.894 873 HE22 GLN 117 2HE2 GLN 117 6.016 13.977 3.734 874 H GLN 118 H GLN 118 9.137 8.339 5.881 875 HA GLN 118 HA GLN 118 9.543 8.127 3.102 876 HB2 GLN 118 2HB GLN 118 11.251 7.478 5.549 877 HB3 GLN 118 3HB GLN 118 11.853 7.295 3.896 878 HG2 GLN 118 2HG GLN 118 11.528 9.685 3.459 879 HG3 GLN 118 3HG GLN 118 10.765 9.908 5.039 880 HE21 GLN 118 1HE2 GLN 118 12.753 11.554 4.703 881 HE22 GLN 118 2HE2 GLN 118 14.205 11.064 5.509 882 H GLY 119 H GLY 119 9.063 5.667 5.718 883 HA2 GLY 119 2HA GLY 119 9.937 3.440 4.248 884 HA3 GLY 119 3HA GLY 119 8.812 3.443 5.613 885 H TRP 120 H TRP 120 6.602 4.910 4.610 886 HA TRP 120 HA TRP 120 5.385 2.922 2.993 887 HB2 TRP 120 2HB TRP 120 4.642 5.591 4.186 888 HB3 TRP 120 3HB TRP 120 3.648 4.979 2.858 889 HD1 TRP 120 HD1 TRP 120 4.283 4.530 6.565 890 HE1 TRP 120 HE1 TRP 120 2.714 2.701 7.506 891 HE3 TRP 120 HE3 TRP 120 2.509 2.634 2.132 892 HZ2 TRP 120 HZ2 TRP 120 0.969 0.729 6.519 893 HZ3 TRP 120 HZ3 TRP 120 0.869 0.761 2.207 894 HH2 TRP 120 HH2 TRP 120 0.116 -0.171 4.342 895 H GLN 121 H GLN 121 6.877 6.150 2.315 896 HA GLN 121 HA GLN 121 6.031 6.298 -0.367 897 HB2 GLN 121 2HB GLN 121 7.008 8.170 0.994 898 HB3 GLN 121 3HB GLN 121 8.575 7.349 0.973 899 HG2 GLN 121 2HG GLN 121 8.614 9.072 -0.708 900 HG3 GLN 121 3HG GLN 121 8.591 7.508 -1.534 901 HE21 GLN 121 1HE2 GLN 121 7.374 7.590 -3.312 902 HE22 GLN 121 2HE2 GLN 121 5.861 8.416 -3.485 903 H ALA 122 H ALA 122 8.899 4.727 1.228 904 HA ALA 122 HA ALA 122 10.190 4.012 -1.168 905 HB1 ALA 122 3HB ALA 122 10.180 2.696 1.592 906 HB2 ALA 122 1HB ALA 122 11.365 2.375 0.282 907 HB3 ALA 122 2HB ALA 122 11.282 4.001 1.039 908 H ILE 123 H ILE 123 7.519 2.465 0.710 909 HA ILE 123 HA ILE 123 7.597 0.017 -0.640 910 HB ILE 123 HB ILE 123 5.368 1.557 0.768 911 HG12 ILE 123 2HG1 ILE 123 6.860 -0.988 1.552 912 HG13 ILE 123 3HG1 ILE 123 7.356 0.632 2.059 913 HG21 ILE 123 1HG2 ILE 123 4.046 -0.531 0.694 914 HG22 ILE 123 2HG2 ILE 123 4.349 0.128 -0.949 915 HG23 ILE 123 3HG2 ILE 123 5.295 -1.280 -0.357 916 HD11 ILE 123 3HD1 ILE 123 4.674 -0.686 2.678 917 HD12 ILE 123 1HD1 ILE 123 6.051 -0.483 3.813 918 HD13 ILE 123 2HD1 ILE 123 5.177 0.959 3.194 919 H LEU 124 H LEU 124 5.723 3.088 -1.292 920 HA LEU 124 HA LEU 124 4.440 2.081 -3.604 921 HB2 LEU 124 2HB LEU 124 5.121 4.891 -2.618 922 HB3 LEU 124 3HB LEU 124 4.179 4.582 -4.083 923 HG LEU 124 HG LEU 124 3.377 3.657 -1.271 924 HD11 LEU 124 1HD1 LEU 124 1.679 5.440 -1.418 925 HD12 LEU 124 2HD1 LEU 124 3.344 6.109 -1.489 926 HD13 LEU 124 3HD1 LEU 124 2.368 5.970 -2.990 927 HD21 LEU 124 3HD2 LEU 124 2.538 2.214 -3.091 928 HD22 LEU 124 1HD2 LEU 124 1.208 3.173 -2.357 929 HD23 LEU 124 2HD2 LEU 124 1.894 3.657 -3.945 930 H ASN 125 H ASN 125 7.646 3.633 -3.028 931 HA ASN 125 HA ASN 125 8.110 4.308 -5.717 932 HB2 ASN 125 2HB ASN 125 9.942 3.810 -3.349 933 HB3 ASN 125 3HB ASN 125 10.547 4.283 -4.942 934 HD21 ASN 125 1HD2 ASN 125 11.082 5.835 -2.825 935 HD22 ASN 125 2HD2 ASN 125 10.245 7.343 -2.980 936 H ASN 126 H ASN 126 8.807 1.316 -3.778 937 HA ASN 126 HA ASN 126 10.269 0.014 -5.789 938 HB2 ASN 126 2HB ASN 126 8.586 -0.968 -3.463 939 HB3 ASN 126 3HB ASN 126 9.438 -2.071 -4.552 940 HD21 ASN 126 1HD2 ASN 126 10.064 -2.242 -2.013 941 HD22 ASN 126 2HD2 ASN 126 11.655 -1.621 -1.725 942 H PHE 127 H PHE 127 6.707 0.247 -5.119 943 HA PHE 127 HA PHE 127 5.915 -1.688 -6.990 944 HB2 PHE 127 2HB PHE 127 4.431 -0.815 -5.249 945 HB3 PHE 127 3HB PHE 127 4.545 0.821 -5.911 946 HD1 PHE 127 HD1 PHE 127 3.507 -2.659 -6.886 947 HD2 PHE 127 HD2 PHE 127 2.941 1.565 -7.429 948 HE1 PHE 127 HE1 PHE 127 1.550 -3.107 -8.336 949 HE2 PHE 127 HE2 PHE 127 0.980 1.117 -8.873 950 HZ PHE 127 HZ PHE 127 0.283 -1.222 -9.330 951 H LYS 128 H LYS 128 6.618 1.862 -7.321 952 HA LYS 128 HA LYS 128 5.653 2.151 -9.925 953 HB2 LYS 128 2HB LYS 128 6.270 4.018 -8.433 954 HB3 LYS 128 3HB LYS 128 7.966 3.520 -8.473 955 HG2 LYS 128 2HG LYS 128 8.030 3.970 -10.936 956 HG3 LYS 128 3HG LYS 128 6.341 4.493 -10.876 957 HD2 LYS 128 2HD LYS 128 6.932 6.309 -9.286 958 HD3 LYS 128 3HD LYS 128 8.614 5.761 -9.256 959 HE2 LYS 128 2HE LYS 128 8.765 6.176 -11.739 960 HE3 LYS 128 3HE LYS 128 7.106 6.790 -11.717 961 HZ1 LYS 128 3HZ LYS 128 9.365 7.938 -10.206 962 HZ2 LYS 128 1HZ LYS 128 8.707 8.561 -11.564 963 HZ3 LYS 128 2HZ LYS 128 7.834 8.505 -10.186 964 H ARG 129 H ARG 129 9.007 1.278 -8.750 965 HA ARG 129 HA ARG 129 10.028 1.083 -11.380 966 HB2 ARG 129 2HB ARG 129 11.012 0.127 -8.692 967 HB3 ARG 129 3HB ARG 129 11.877 -0.217 -10.196 968 HG2 ARG 129 2HG ARG 129 12.021 2.234 -10.652 969 HG3 ARG 129 3HG ARG 129 11.203 2.554 -9.117 970 HD2 ARG 129 2HD ARG 129 13.022 1.524 -7.888 971 HD3 ARG 129 3HD ARG 129 13.826 1.077 -9.399 972 HE ARG 129 HE ARG 129 13.426 3.890 -9.367 973 HH11 ARG 129 1HH1 ARG 129 15.328 1.440 -7.712 974 HH12 ARG 129 2HH1 ARG 129 16.649 2.515 -7.395 975 HH21 ARG 129 1HH2 ARG 129 15.123 5.257 -8.947 976 HH22 ARG 129 2HH2 ARG 129 16.532 4.706 -8.103 977 H HIS 130 H HIS 130 8.372 -1.230 -9.181 978 HA HIS 130 HA HIS 130 9.039 -3.578 -10.541 979 HB2 HIS 130 2HB HIS 130 7.977 -3.577 -8.340 980 HB3 HIS 130 3HB HIS 130 6.548 -2.750 -8.975 981 HD2 HIS 130 HD2 HIS 130 4.565 -4.440 -9.870 982 HE1 HIS 130 HE1 HIS 130 6.891 -8.034 -9.939 983 H VAL 131 H VAL 131 6.201 -1.308 -11.001 984 HA VAL 131 HA VAL 131 5.209 -2.723 -13.223 985 HB VAL 131 HB VAL 131 4.890 0.173 -12.295 986 HG11 VAL 131 1HG1 VAL 131 2.960 0.292 -13.844 987 HG12 VAL 131 2HG1 VAL 131 4.508 0.042 -14.721 988 HG13 VAL 131 3HG1 VAL 131 3.379 -1.334 -14.482 989 HG21 VAL 131 3HG2 VAL 131 3.976 -1.522 -10.768 990 HG22 VAL 131 1HG2 VAL 131 2.655 -0.607 -11.570 991 HG23 VAL 131 2HG2 VAL 131 3.061 -2.268 -12.121 992 H GLU 132 H GLU 132 7.595 -0.018 -12.846 993 HA GLU 132 HA GLU 132 7.603 0.826 -15.501 994 HB2 GLU 132 2HB GLU 132 8.626 2.015 -13.553 995 HB3 GLU 132 3HB GLU 132 9.881 0.772 -13.463 996 HG2 GLU 132 2HG GLU 132 10.717 1.397 -15.697 997 HG3 GLU 132 3HG GLU 132 9.406 2.567 -15.892 998 H SER 133 H SER 133 9.338 -1.908 -13.882 999 HA SER 133 HA SER 133 11.084 -2.388 -16.076 1000 HB2 SER 133 2HB SER 133 11.628 -4.418 -14.878 1001 HB3 SER 133 3HB SER 133 11.493 -3.091 -13.717 1002 HG SER 133 HG SER 133 9.220 -3.841 -13.407 1003 H HIS 134 H HIS 134 7.675 -2.913 -15.646 1004 HA HIS 134 HA HIS 134 7.712 -5.235 -17.439 1005 HB2 HIS 134 2HB HIS 134 5.537 -3.968 -15.704 1006 HB3 HIS 134 3HB HIS 134 5.244 -5.300 -16.831 1007 HD2 HIS 134 HD2 HIS 134 8.510 -6.350 -15.501 1008 HE1 HIS 134 HE1 HIS 134 5.747 -7.618 -12.487 1009 H LEU 135 H LEU 135 7.924 -1.990 -17.884 1010 HA LEU 135 HA LEU 135 6.382 -2.126 -20.355 1011 HB2 LEU 135 2HB LEU 135 4.776 -1.212 -18.732 1012 HB3 LEU 135 3HB LEU 135 5.963 -0.024 -18.176 1013 HG LEU 135 HG LEU 135 5.950 1.003 -20.494 1014 HD11 LEU 135 1HD1 LEU 135 4.094 0.403 -22.004 1015 HD12 LEU 135 2HD1 LEU 135 5.198 -0.987 -21.732 1016 HD13 LEU 135 3HD1 LEU 135 3.613 -0.922 -20.890 1017 HD21 LEU 135 3HD2 LEU 135 4.609 1.915 -18.633 1018 HD22 LEU 135 1HD2 LEU 135 3.746 2.087 -20.198 1019 HD23 LEU 135 2HD2 LEU 135 3.266 0.797 -19.045 1020 H GLU 136 H GLU 136 7.595 -1.294 -22.005 1021 HA GLU 136 HA GLU 136 10.160 -0.553 -21.847 1022 HB2 GLU 136 2HB GLU 136 8.838 -0.879 -23.935 1023 HB3 GLU 136 3HB GLU 136 8.046 0.681 -23.679 1024 HG2 GLU 136 2HG GLU 136 10.208 1.855 -23.917 1025 HG3 GLU 136 3HG GLU 136 11.057 0.312 -24.074 1026 H HIS 137 H HIS 137 7.342 1.733 -21.450 1027 HA HIS 137 HA HIS 137 8.619 4.111 -21.396 1028 HB2 HIS 137 2HB HIS 137 6.163 3.695 -21.074 1029 HB3 HIS 137 3HB HIS 137 6.486 3.166 -19.418 1030 HD2 HIS 137 HD2 HIS 137 5.850 6.425 -21.370 1031 HE1 HIS 137 HE1 HIS 137 7.212 7.548 -17.470 1032 H HIS 138 H HIS 138 9.950 5.312 -20.004 1033 HA HIS 138 HA HIS 138 10.612 4.306 -17.398 1034 HB2 HIS 138 2HB HIS 138 11.884 2.828 -19.118 1035 HB3 HIS 138 3HB HIS 138 12.823 4.279 -19.497 1036 HD2 HIS 138 HD2 HIS 138 12.870 1.398 -16.992 1037 HE1 HIS 138 HE1 HIS 138 15.368 4.463 -15.350 Start of MODEL 3 1 H1 MET 1 1H MET 1 -3.400 13.953 13.798 2 H2 MET 1 2H MET 1 -2.875 12.487 13.305 3 H3 MET 1 3H MET 1 -1.847 13.514 14.050 4 HA MET 1 HA MET 1 -2.916 14.870 11.927 5 HB2 MET 1 2HB MET 1 -0.163 13.688 12.508 6 HB3 MET 1 3HB MET 1 -0.496 14.753 11.137 7 HG2 MET 1 2HG MET 1 -1.185 16.564 12.681 8 HG3 MET 1 3HG MET 1 -0.923 15.500 14.070 9 HE1 MET 1 3HE MET 1 0.556 17.363 11.089 10 HE2 MET 1 1HE MET 1 2.332 17.351 11.354 11 HE3 MET 1 2HE MET 1 1.502 15.871 10.765 12 H ASN 2 H ASN 2 -3.194 14.403 9.714 13 HA ASN 2 HA ASN 2 -2.979 11.578 9.000 14 HB2 ASN 2 2HB ASN 2 -4.244 13.958 7.593 15 HB3 ASN 2 3HB ASN 2 -4.165 12.324 6.921 16 HD21 ASN 2 1HD2 ASN 2 -6.068 14.446 8.508 17 HD22 ASN 2 2HD2 ASN 2 -7.206 13.340 9.203 18 H ILE 3 H ILE 3 -1.310 10.797 7.749 19 HA ILE 3 HA ILE 3 0.413 12.822 6.508 20 HB ILE 3 HB ILE 3 0.969 9.919 7.309 21 HG12 ILE 3 2HG1 ILE 3 2.138 12.513 8.412 22 HG13 ILE 3 3HG1 ILE 3 0.769 11.668 9.147 23 HG21 ILE 3 1HG2 ILE 3 3.308 10.405 6.671 24 HG22 ILE 3 2HG2 ILE 3 2.193 10.534 5.270 25 HG23 ILE 3 3HG2 ILE 3 2.805 12.021 6.070 26 HD11 ILE 3 3HD1 ILE 3 3.565 10.515 8.741 27 HD12 ILE 3 1HD1 ILE 3 2.868 11.109 10.287 28 HD13 ILE 3 2HD1 ILE 3 2.175 9.657 9.487 29 H THR 4 H THR 4 0.678 12.851 4.271 30 HA THR 4 HA THR 4 -0.671 10.672 2.829 31 HB THR 4 HB THR 4 -0.469 13.646 2.115 32 HG1 THR 4 HG1 THR 4 -2.808 11.999 2.629 33 HG21 THR 4 3HG2 THR 4 -1.795 11.322 0.633 34 HG22 THR 4 1HG2 THR 4 -1.903 13.056 0.181 35 HG23 THR 4 2HG2 THR 4 -0.322 12.207 0.114 36 H VAL 5 H VAL 5 0.507 9.650 1.185 37 HA VAL 5 HA VAL 5 2.882 11.094 0.235 38 HB VAL 5 HB VAL 5 3.953 8.847 -0.122 39 HG11 VAL 5 1HG1 VAL 5 4.544 8.464 2.253 40 HG12 VAL 5 2HG1 VAL 5 4.521 10.212 1.844 41 HG13 VAL 5 3HG1 VAL 5 3.157 9.486 2.758 42 HG21 VAL 5 3HG2 VAL 5 1.914 7.475 -0.173 43 HG22 VAL 5 1HG2 VAL 5 3.046 6.890 1.093 44 HG23 VAL 5 2HG2 VAL 5 1.602 7.853 1.555 45 H GLU 6 H GLU 6 3.450 10.655 -2.059 46 HA GLU 6 HA GLU 6 1.186 9.604 -3.603 47 HB2 GLU 6 2HB GLU 6 0.718 11.986 -3.328 48 HB3 GLU 6 3HB GLU 6 2.373 12.413 -3.782 49 HG2 GLU 6 2HG GLU 6 1.956 11.460 -6.074 50 HG3 GLU 6 3HG GLU 6 0.283 11.129 -5.608 51 H THR 7 H THR 7 1.847 8.480 -5.423 52 HA THR 7 HA THR 7 4.398 9.260 -6.593 53 HB THR 7 HB THR 7 3.623 6.387 -5.862 54 HG1 THR 7 HG1 THR 7 6.146 7.281 -5.140 55 HG21 THR 7 3HG2 THR 7 6.016 7.458 -7.437 56 HG22 THR 7 1HG2 THR 7 5.775 5.756 -6.918 57 HG23 THR 7 2HG2 THR 7 4.651 6.501 -8.104 58 H THR 8 H THR 8 4.298 9.314 -8.846 59 HA THR 8 HA THR 8 1.785 8.330 -9.988 60 HB THR 8 HB THR 8 3.797 10.413 -10.993 61 HG1 THR 8 HG1 THR 8 1.957 11.843 -10.596 62 HG21 THR 8 3HG2 THR 8 1.133 9.487 -12.177 63 HG22 THR 8 1HG2 THR 8 2.132 10.854 -12.775 64 HG23 THR 8 2HG2 THR 8 2.763 9.175 -12.862 65 H VAL 9 H VAL 9 1.823 6.610 -11.424 66 HA VAL 9 HA VAL 9 4.493 5.799 -12.352 67 HB VAL 9 HB VAL 9 3.702 3.462 -12.226 68 HG11 VAL 9 1HG1 VAL 9 3.612 3.244 -9.762 69 HG12 VAL 9 2HG1 VAL 9 4.862 4.424 -10.284 70 HG13 VAL 9 3HG1 VAL 9 3.297 5.007 -9.623 71 HG21 VAL 9 3HG2 VAL 9 1.304 3.859 -12.604 72 HG22 VAL 9 1HG2 VAL 9 1.565 2.920 -11.096 73 HG23 VAL 9 2HG2 VAL 9 1.174 4.670 -11.007 74 H ALA 10 H ALA 10 4.647 4.931 -14.516 75 HA ALA 10 HA ALA 10 2.496 5.784 -16.262 76 HB1 ALA 10 3HB ALA 10 5.203 4.460 -16.789 77 HB2 ALA 10 1HB ALA 10 4.087 5.100 -18.043 78 HB3 ALA 10 2HB ALA 10 4.846 6.218 -16.861 79 H ALA 11 H ALA 11 0.805 4.262 -15.505 80 HA ALA 11 HA ALA 11 0.774 2.004 -17.246 81 HB1 ALA 11 3HB ALA 11 0.844 1.524 -14.227 82 HB2 ALA 11 1HB ALA 11 0.436 0.298 -15.474 83 HB3 ALA 11 2HB ALA 11 2.085 1.006 -15.417 84 HA PRO 12 HA PRO 12 -3.542 2.896 -16.926 85 HB2 PRO 12 2HB PRO 12 -4.577 0.389 -17.586 86 HB3 PRO 12 3HB PRO 12 -3.854 1.443 -18.809 87 HG2 PRO 12 2HG PRO 12 -2.597 -0.880 -17.308 88 HG3 PRO 12 3HG PRO 12 -2.513 -0.498 -19.032 89 HD2 PRO 12 2HD PRO 12 -0.456 0.142 -17.380 90 HD3 PRO 12 3HD PRO 12 -0.898 1.218 -18.713 91 H VAL 13 H VAL 13 -5.451 2.609 -15.677 92 HA VAL 13 HA VAL 13 -4.722 2.367 -13.026 93 HB VAL 13 HB VAL 13 -7.461 2.301 -14.383 94 HG11 VAL 13 1HG1 VAL 13 -8.403 2.847 -12.159 95 HG12 VAL 13 2HG1 VAL 13 -7.617 1.232 -12.174 96 HG13 VAL 13 3HG1 VAL 13 -6.779 2.631 -11.423 97 HG21 VAL 13 3HG2 VAL 13 -6.174 4.368 -14.710 98 HG22 VAL 13 1HG2 VAL 13 -7.572 4.651 -13.619 99 HG23 VAL 13 2HG2 VAL 13 -5.917 4.504 -12.938 100 H GLY 14 H GLY 14 -6.288 -0.043 -15.252 101 HA2 GLY 14 2HA GLY 14 -6.997 -1.893 -13.253 102 HA3 GLY 14 3HA GLY 14 -6.761 -2.216 -14.976 103 H LYS 15 H LYS 15 -3.951 -1.471 -15.214 104 HA LYS 15 HA LYS 15 -2.780 -3.869 -14.240 105 HB2 LYS 15 2HB LYS 15 -2.145 -2.718 -16.360 106 HB3 LYS 15 3HB LYS 15 -1.533 -1.344 -15.429 107 HG2 LYS 15 2HG LYS 15 0.228 -2.715 -14.433 108 HG3 LYS 15 3HG LYS 15 -0.448 -4.187 -15.141 109 HD2 LYS 15 2HD LYS 15 -0.016 -3.311 -17.430 110 HD3 LYS 15 3HD LYS 15 0.606 -1.801 -16.751 111 HE2 LYS 15 2HE LYS 15 2.432 -3.036 -15.608 112 HE3 LYS 15 3HE LYS 15 1.788 -4.574 -16.199 113 HZ1 LYS 15 3HZ LYS 15 2.632 -2.408 -18.008 114 HZ2 LYS 15 1HZ LYS 15 3.636 -3.598 -17.515 115 HZ3 LYS 15 2HZ LYS 15 2.311 -3.961 -18.398 116 H VAL 16 H VAL 16 -2.580 -0.369 -13.241 117 HA VAL 16 HA VAL 16 -0.574 -0.760 -11.339 118 HB VAL 16 HB VAL 16 -2.827 1.295 -11.560 119 HG11 VAL 16 1HG1 VAL 16 -1.537 2.656 -9.943 120 HG12 VAL 16 2HG1 VAL 16 -2.112 1.118 -9.214 121 HG13 VAL 16 3HG1 VAL 16 -0.395 1.290 -9.712 122 HG21 VAL 16 3HG2 VAL 16 -1.189 1.327 -13.393 123 HG22 VAL 16 1HG2 VAL 16 -1.007 2.776 -12.348 124 HG23 VAL 16 2HG2 VAL 16 0.156 1.415 -12.206 125 H TRP 17 H TRP 17 -4.217 -0.760 -11.020 126 HA TRP 17 HA TRP 17 -4.201 -1.068 -8.223 127 HB2 TRP 17 2HB TRP 17 -6.149 -0.257 -9.476 128 HB3 TRP 17 3HB TRP 17 -6.259 -1.779 -10.371 129 HD1 TRP 17 HD1 TRP 17 -6.929 -0.290 -6.863 130 HE1 TRP 17 HE1 TRP 17 -8.495 -1.893 -5.572 131 HE3 TRP 17 HE3 TRP 17 -6.981 -4.208 -10.186 132 HZ2 TRP 17 HZ2 TRP 17 -9.604 -4.455 -5.905 133 HZ3 TRP 17 HZ3 TRP 17 -8.331 -6.225 -9.629 134 HH2 TRP 17 HH2 TRP 17 -9.614 -6.350 -7.546 135 H ARG 18 H ARG 18 -4.348 -3.492 -10.946 136 HA ARG 18 HA ARG 18 -4.877 -5.669 -9.238 137 HB2 ARG 18 2HB ARG 18 -5.388 -5.652 -11.632 138 HB3 ARG 18 3HB ARG 18 -3.661 -5.624 -12.012 139 HG2 ARG 18 2HG ARG 18 -3.343 -7.824 -11.011 140 HG3 ARG 18 3HG ARG 18 -5.010 -7.846 -10.421 141 HD2 ARG 18 2HD ARG 18 -5.824 -7.805 -12.743 142 HD3 ARG 18 3HD ARG 18 -4.153 -7.805 -13.323 143 HE ARG 18 HE ARG 18 -4.518 -10.041 -11.616 144 HH11 ARG 18 1HH1 ARG 18 -5.597 -8.888 -14.756 145 HH12 ARG 18 2HH1 ARG 18 -5.775 -10.483 -15.408 146 HH21 ARG 18 1HH2 ARG 18 -4.762 -12.078 -12.462 147 HH22 ARG 18 2HH2 ARG 18 -5.297 -12.315 -14.092 148 H ALA 19 H ALA 19 -1.794 -4.239 -10.519 149 HA ALA 19 HA ALA 19 -0.194 -6.333 -9.407 150 HB1 ALA 19 3HB ALA 19 0.482 -3.512 -10.376 151 HB2 ALA 19 1HB ALA 19 1.671 -4.805 -10.001 152 HB3 ALA 19 2HB ALA 19 0.517 -5.013 -11.362 153 H TYR 20 H TYR 20 -1.543 -3.252 -8.198 154 HA TYR 20 HA TYR 20 0.371 -2.937 -6.114 155 HB2 TYR 20 2HB TYR 20 -1.041 -1.112 -7.127 156 HB3 TYR 20 3HB TYR 20 -2.471 -1.843 -6.386 157 HD1 TYR 20 HD1 TYR 20 0.798 -0.202 -5.634 158 HD2 TYR 20 HD2 TYR 20 -3.000 -1.464 -4.086 159 HE1 TYR 20 HE1 TYR 20 1.226 1.075 -3.557 160 HE2 TYR 20 HE2 TYR 20 -2.580 -0.188 -2.007 161 HH TYR 20 HH TYR 20 -1.198 1.125 -0.892 162 H THR 21 H THR 21 -2.691 -4.780 -6.471 163 HA THR 21 HA THR 21 -2.773 -5.048 -3.548 164 HB THR 21 HB THR 21 -5.185 -5.602 -3.874 165 HG1 THR 21 HG1 THR 21 -4.749 -4.772 -6.626 166 HG21 THR 21 3HG2 THR 21 -4.305 -2.982 -5.184 167 HG22 THR 21 1HG2 THR 21 -5.934 -3.327 -4.512 168 HG23 THR 21 2HG2 THR 21 -4.506 -3.272 -3.423 169 H THR 22 H THR 22 -1.380 -6.705 -5.961 170 HA THR 22 HA THR 22 -2.365 -9.292 -5.030 171 HB THR 22 HB THR 22 -0.323 -8.532 -7.184 172 HG1 THR 22 HG1 THR 22 -2.408 -8.114 -7.931 173 HG21 THR 22 3HG2 THR 22 -1.451 -11.261 -6.386 174 HG22 THR 22 1HG2 THR 22 -0.389 -10.932 -7.797 175 HG23 THR 22 2HG2 THR 22 0.233 -10.693 -6.129 176 HA PRO 23 HA PRO 23 0.777 -9.143 -1.861 177 HB2 PRO 23 2HB PRO 23 0.149 -12.136 -1.879 178 HB3 PRO 23 3HB PRO 23 0.203 -11.035 -0.496 179 HG2 PRO 23 2HG PRO 23 -2.161 -11.814 -1.441 180 HG3 PRO 23 3HG PRO 23 -1.939 -10.126 -0.962 181 HD2 PRO 23 2HD PRO 23 -2.006 -11.323 -3.755 182 HD3 PRO 23 3HD PRO 23 -2.671 -9.785 -3.188 183 H GLU 24 H GLU 24 0.857 -11.728 -4.402 184 HA GLU 24 HA GLU 24 3.566 -12.345 -3.960 185 HB2 GLU 24 2HB GLU 24 1.707 -12.597 -6.366 186 HB3 GLU 24 3HB GLU 24 3.377 -13.181 -6.385 187 HG2 GLU 24 2HG GLU 24 1.163 -14.120 -4.497 188 HG3 GLU 24 3HG GLU 24 1.793 -15.005 -5.893 189 H ASP 25 H ASP 25 1.932 -9.817 -5.970 190 HA ASP 25 HA ASP 25 4.372 -8.946 -7.174 191 HB2 ASP 25 2HB ASP 25 1.593 -7.742 -6.821 192 HB3 ASP 25 3HB ASP 25 2.910 -6.860 -7.606 193 H ILE 26 H ILE 26 2.505 -8.066 -4.194 194 HA ILE 26 HA ILE 26 3.891 -5.741 -3.596 195 HB ILE 26 HB ILE 26 2.539 -7.856 -1.859 196 HG12 ILE 26 2HG1 ILE 26 1.741 -4.985 -2.526 197 HG13 ILE 26 3HG1 ILE 26 1.202 -6.391 -3.454 198 HG21 ILE 26 1HG2 ILE 26 2.667 -6.239 0.009 199 HG22 ILE 26 2HG2 ILE 26 4.296 -6.782 -0.517 200 HG23 ILE 26 3HG2 ILE 26 3.691 -5.162 -0.999 201 HD11 ILE 26 3HD1 ILE 26 0.671 -5.902 -0.489 202 HD12 ILE 26 1HD1 ILE 26 -0.503 -5.695 -1.833 203 HD13 ILE 26 2HD1 ILE 26 0.123 -7.329 -1.431 204 H LYS 27 H LYS 27 4.776 -9.202 -3.125 205 HA LYS 27 HA LYS 27 6.850 -8.750 -1.272 206 HB2 LYS 27 2HB LYS 27 6.300 -10.960 -3.304 207 HB3 LYS 27 3HB LYS 27 7.641 -11.015 -2.153 208 HG2 LYS 27 2HG LYS 27 6.095 -11.006 -0.256 209 HG3 LYS 27 3HG LYS 27 4.712 -10.739 -1.325 210 HD2 LYS 27 2HD LYS 27 5.144 -12.933 -2.443 211 HD3 LYS 27 3HD LYS 27 6.542 -13.199 -1.392 212 HE2 LYS 27 2HE LYS 27 5.090 -13.177 0.611 213 HE3 LYS 27 3HE LYS 27 3.679 -12.790 -0.383 214 HZ1 LYS 27 3HZ LYS 27 5.281 -15.248 -0.684 215 HZ2 LYS 27 1HZ LYS 27 3.884 -15.152 0.155 216 HZ3 LYS 27 2HZ LYS 27 3.887 -14.899 -1.458 217 H GLN 28 H GLN 28 6.587 -7.971 -4.673 218 HA GLN 28 HA GLN 28 9.314 -8.559 -5.327 219 HB2 GLN 28 2HB GLN 28 7.205 -6.865 -6.761 220 HB3 GLN 28 3HB GLN 28 8.736 -7.414 -7.457 221 HG2 GLN 28 2HG GLN 28 6.341 -9.112 -6.643 222 HG3 GLN 28 3HG GLN 28 6.985 -8.853 -8.269 223 HE21 GLN 28 1HE2 GLN 28 6.672 -11.196 -6.141 224 HE22 GLN 28 2HE2 GLN 28 8.160 -12.064 -6.327 225 H TRP 29 H TRP 29 7.528 -5.762 -4.003 226 HA TRP 29 HA TRP 29 9.987 -4.160 -4.326 227 HB2 TRP 29 2HB TRP 29 8.709 -2.249 -4.846 228 HB3 TRP 29 3HB TRP 29 7.981 -3.532 -5.822 229 HD1 TRP 29 HD1 TRP 29 7.320 -1.621 -2.477 230 HE1 TRP 29 HE1 TRP 29 4.767 -1.591 -2.063 231 HE3 TRP 29 HE3 TRP 29 5.832 -4.567 -6.416 232 HZ2 TRP 29 HZ2 TRP 29 2.444 -2.660 -3.232 233 HZ3 TRP 29 HZ3 TRP 29 3.402 -5.026 -6.709 234 HH2 TRP 29 HH2 TRP 29 1.746 -4.096 -5.164 235 H ASN 30 H ASN 30 7.881 -5.730 -2.146 236 HA ASN 30 HA ASN 30 9.184 -4.321 0.007 237 HB2 ASN 30 2HB ASN 30 6.873 -3.189 -0.628 238 HB3 ASN 30 3HB ASN 30 6.192 -4.574 0.235 239 HD21 ASN 30 1HD2 ASN 30 5.689 -2.141 1.178 240 HD22 ASN 30 2HD2 ASN 30 6.505 -1.905 2.687 241 H ALA 31 H ALA 31 8.593 -5.458 2.195 242 HA ALA 31 HA ALA 31 8.369 -7.289 3.431 243 HB1 ALA 31 3HB ALA 31 6.318 -8.007 1.280 244 HB2 ALA 31 1HB ALA 31 6.457 -8.779 2.896 245 HB3 ALA 31 2HB ALA 31 6.011 -7.044 2.765 246 H ALA 32 H ALA 32 10.695 -7.542 2.153 247 HA ALA 32 HA ALA 32 10.856 -10.380 1.701 248 HB1 ALA 32 3HB ALA 32 11.546 -8.412 -0.533 249 HB2 ALA 32 1HB ALA 32 11.938 -10.164 -0.521 250 HB3 ALA 32 2HB ALA 32 10.224 -9.627 -0.555 251 H SER 33 H SER 33 13.205 -11.077 1.458 252 HA SER 33 HA SER 33 15.003 -9.081 2.663 253 HB2 SER 33 2HB SER 33 15.718 -10.690 4.324 254 HB3 SER 33 3HB SER 33 13.969 -10.464 4.460 255 HG SER 33 HG SER 33 13.705 -12.518 4.076 256 H ASP 34 H ASP 34 17.314 -9.608 2.404 257 HA ASP 34 HA ASP 34 17.741 -11.155 -0.039 258 HB2 ASP 34 2HB ASP 34 19.530 -9.281 1.584 259 HB3 ASP 34 3HB ASP 34 20.030 -10.116 0.107 260 H ASP 35 H ASP 35 18.471 -11.192 3.484 261 HA ASP 35 HA ASP 35 20.422 -13.329 3.063 262 HB2 ASP 35 2HB ASP 35 19.595 -11.605 5.437 263 HB3 ASP 35 3HB ASP 35 20.641 -13.020 5.620 264 H TRP 36 H TRP 36 17.638 -13.990 2.430 265 HA TRP 36 HA TRP 36 16.356 -15.781 2.689 266 HB2 TRP 36 2HB TRP 36 18.673 -16.781 4.420 267 HB3 TRP 36 3HB TRP 36 17.375 -17.784 3.759 268 HD1 TRP 36 HD1 TRP 36 17.320 -18.033 0.987 269 HE1 TRP 36 HE1 TRP 36 19.274 -18.019 -0.707 270 HE3 TRP 36 HE3 TRP 36 20.909 -15.819 3.921 271 HZ2 TRP 36 HZ2 TRP 36 21.961 -17.189 -0.797 272 HZ3 TRP 36 HZ3 TRP 36 23.173 -15.442 2.955 273 HH2 TRP 36 HH2 TRP 36 23.688 -16.105 0.655 274 H HIS 37 H HIS 37 15.447 -13.742 4.288 275 HA HIS 37 HA HIS 37 14.663 -15.232 6.711 276 HB2 HIS 37 2HB HIS 37 14.314 -12.257 6.118 277 HB3 HIS 37 3HB HIS 37 14.003 -13.086 7.649 278 HD2 HIS 37 HD2 HIS 37 16.846 -11.212 5.913 279 HE1 HIS 37 HE1 HIS 37 18.628 -13.416 9.123 280 H THR 38 H THR 38 12.343 -15.315 7.243 281 HA THR 38 HA THR 38 11.026 -15.879 4.737 282 HB THR 38 HB THR 38 10.273 -16.484 7.645 283 HG1 THR 38 HG1 THR 38 10.927 -18.656 6.981 284 HG21 THR 38 3HG2 THR 38 9.056 -17.482 5.022 285 HG22 THR 38 1HG2 THR 38 8.628 -18.059 6.668 286 HG23 THR 38 2HG2 THR 38 8.281 -16.362 6.193 287 H THR 39 H THR 39 9.527 -14.516 3.809 288 HA THR 39 HA THR 39 8.060 -12.756 5.650 289 HB THR 39 HB THR 39 7.990 -11.058 3.892 290 HG1 THR 39 HG1 THR 39 8.778 -11.422 1.849 291 HG21 THR 39 3HG2 THR 39 10.826 -12.131 4.279 292 HG22 THR 39 1HG2 THR 39 10.392 -10.469 3.756 293 HG23 THR 39 2HG2 THR 39 9.942 -11.040 5.398 294 H ALA 40 H ALA 40 5.799 -12.298 5.046 295 HA ALA 40 HA ALA 40 4.780 -13.524 2.637 296 HB1 ALA 40 3HB ALA 40 3.801 -14.381 5.404 297 HB2 ALA 40 1HB ALA 40 3.016 -14.790 3.841 298 HB3 ALA 40 2HB ALA 40 4.659 -15.413 4.211 299 H ALA 41 H ALA 41 2.923 -12.460 1.873 300 HA ALA 41 HA ALA 41 1.786 -10.446 3.705 301 HB1 ALA 41 3HB ALA 41 2.393 -10.180 0.721 302 HB2 ALA 41 1HB ALA 41 1.521 -8.974 1.726 303 HB3 ALA 41 2HB ALA 41 3.246 -9.342 2.061 304 H THR 42 H THR 42 -0.487 -10.136 3.588 305 HA THR 42 HA THR 42 -1.861 -11.867 1.661 306 HB THR 42 HB THR 42 -2.613 -11.432 4.601 307 HG1 THR 42 HG1 THR 42 -2.188 -13.756 4.697 308 HG21 THR 42 3HG2 THR 42 -3.937 -13.101 2.408 309 HG22 THR 42 1HG2 THR 42 -4.417 -13.065 4.138 310 HG23 THR 42 2HG2 THR 42 -4.587 -11.590 3.128 311 H VAL 43 H VAL 43 -3.566 -10.861 0.560 312 HA VAL 43 HA VAL 43 -4.641 -8.431 1.800 313 HB VAL 43 HB VAL 43 -3.971 -8.851 -1.159 314 HG11 VAL 43 1HG1 VAL 43 -4.826 -6.547 -1.466 315 HG12 VAL 43 2HG1 VAL 43 -6.106 -7.662 -0.880 316 HG13 VAL 43 3HG1 VAL 43 -5.329 -6.509 0.258 317 HG21 VAL 43 3HG2 VAL 43 -2.013 -8.291 0.215 318 HG22 VAL 43 1HG2 VAL 43 -2.471 -6.910 -0.837 319 HG23 VAL 43 2HG2 VAL 43 -2.887 -6.884 0.910 320 H ASP 44 H ASP 44 -6.844 -8.587 2.083 321 HA ASP 44 HA ASP 44 -8.309 -10.271 0.150 322 HB2 ASP 44 2HB ASP 44 -8.116 -11.379 2.370 323 HB3 ASP 44 3HB ASP 44 -8.800 -9.947 3.150 324 H LEU 45 H LEU 45 -9.092 -8.600 -1.183 325 HA LEU 45 HA LEU 45 -9.995 -6.139 0.027 326 HB2 LEU 45 2HB LEU 45 -9.937 -7.223 -2.828 327 HB3 LEU 45 3HB LEU 45 -10.575 -5.628 -2.406 328 HG LEU 45 HG LEU 45 -7.693 -6.565 -1.943 329 HD11 LEU 45 1HD1 LEU 45 -7.150 -4.946 -3.725 330 HD12 LEU 45 2HD1 LEU 45 -8.242 -6.241 -4.322 331 HD13 LEU 45 3HD1 LEU 45 -8.900 -4.610 -3.956 332 HD21 LEU 45 3HD2 LEU 45 -8.476 -4.962 -0.236 333 HD22 LEU 45 1HD2 LEU 45 -7.292 -4.197 -1.348 334 HD23 LEU 45 2HD2 LEU 45 -9.045 -3.854 -1.530 335 H ARG 46 H ARG 46 -11.795 -6.832 1.377 336 HA ARG 46 HA ARG 46 -14.229 -6.800 -0.145 337 HB2 ARG 46 2HB ARG 46 -13.694 -9.211 -0.128 338 HB3 ARG 46 3HB ARG 46 -13.678 -9.184 1.640 339 HG2 ARG 46 2HG ARG 46 -16.052 -8.515 1.678 340 HG3 ARG 46 3HG ARG 46 -16.082 -8.459 -0.090 341 HD2 ARG 46 2HD ARG 46 -15.646 -10.838 -0.214 342 HD3 ARG 46 3HD ARG 46 -15.476 -10.930 1.544 343 HE ARG 46 HE ARG 46 -18.008 -9.903 1.159 344 HH11 ARG 46 1HH1 ARG 46 -16.338 -12.775 0.014 345 HH12 ARG 46 2HH1 ARG 46 -17.779 -13.734 -0.036 346 HH21 ARG 46 1HH2 ARG 46 -19.849 -11.138 1.080 347 HH22 ARG 46 2HH2 ARG 46 -19.798 -12.794 0.575 348 H GLU 47 H GLU 47 -15.979 -5.952 1.067 349 HA GLU 47 HA GLU 47 -15.334 -4.384 3.270 350 HB2 GLU 47 2HB GLU 47 -17.270 -4.031 1.757 351 HB3 GLU 47 3HB GLU 47 -18.028 -5.509 2.365 352 HG2 GLU 47 2HG GLU 47 -18.214 -4.516 4.627 353 HG3 GLU 47 3HG GLU 47 -17.382 -3.055 4.076 354 H GLY 48 H GLY 48 -14.833 -4.948 5.353 355 HA2 GLY 48 2HA GLY 48 -15.333 -5.877 7.395 356 HA3 GLY 48 3HA GLY 48 -16.446 -7.015 6.625 357 H GLY 49 H GLY 49 -13.683 -7.133 4.687 358 HA2 GLY 49 2HA GLY 49 -13.007 -9.696 5.844 359 HA3 GLY 49 3HA GLY 49 -12.415 -8.990 4.335 360 H ALA 50 H ALA 50 -10.771 -10.357 6.359 361 HA ALA 50 HA ALA 50 -9.281 -8.075 7.491 362 HB1 ALA 50 3HB ALA 50 -9.540 -10.964 8.455 363 HB2 ALA 50 1HB ALA 50 -8.515 -9.696 9.207 364 HB3 ALA 50 2HB ALA 50 -10.302 -9.520 9.202 365 H PHE 51 H PHE 51 -6.972 -8.080 7.345 366 HA PHE 51 HA PHE 51 -5.811 -10.254 5.752 367 HB2 PHE 51 2HB PHE 51 -4.642 -8.687 4.326 368 HB3 PHE 51 3HB PHE 51 -6.377 -8.361 4.220 369 HD1 PHE 51 HD1 PHE 51 -7.347 -6.346 5.291 370 HD2 PHE 51 HD2 PHE 51 -3.113 -7.079 5.290 371 HE1 PHE 51 HE1 PHE 51 -6.935 -3.978 5.883 372 HE2 PHE 51 HE2 PHE 51 -2.705 -4.712 5.886 373 HZ PHE 51 HZ PHE 51 -4.612 -3.157 6.181 374 H SER 52 H SER 52 -3.430 -10.420 6.005 375 HA SER 52 HA SER 52 -2.266 -8.856 8.163 376 HB2 SER 52 2HB SER 52 -3.432 -10.652 9.368 377 HB3 SER 52 3HB SER 52 -2.699 -11.873 8.319 378 HG SER 52 HG SER 52 -1.582 -11.649 10.334 379 H SER 53 H SER 53 -0.130 -8.472 7.720 380 HA SER 53 HA SER 53 1.235 -10.424 5.975 381 HB2 SER 53 2HB SER 53 1.341 -7.376 5.879 382 HB3 SER 53 3HB SER 53 2.442 -8.447 5.002 383 HG SER 53 HG SER 53 0.660 -7.748 3.700 384 H ARG 54 H ARG 54 3.298 -11.038 6.660 385 HA ARG 54 HA ARG 54 4.239 -9.729 9.106 386 HB2 ARG 54 2HB ARG 54 2.643 -11.589 9.671 387 HB3 ARG 54 3HB ARG 54 3.786 -12.715 8.926 388 HG2 ARG 54 2HG ARG 54 5.546 -11.926 10.537 389 HG3 ARG 54 3HG ARG 54 4.332 -10.902 11.316 390 HD2 ARG 54 2HD ARG 54 4.520 -12.841 12.619 391 HD3 ARG 54 3HD ARG 54 2.978 -12.950 11.760 392 HE ARG 54 HE ARG 54 5.402 -14.561 11.202 393 HH11 ARG 54 1HH1 ARG 54 1.959 -14.010 10.771 394 HH12 ARG 54 2HH1 ARG 54 1.698 -15.533 9.988 395 HH21 ARG 54 1HH2 ARG 54 5.050 -16.512 10.213 396 HH22 ARG 54 2HH2 ARG 54 3.472 -16.971 9.667 397 H MET 55 H MET 55 6.475 -9.639 9.263 398 HA MET 55 HA MET 55 7.968 -11.376 7.397 399 HB2 MET 55 2HB MET 55 8.541 -8.581 8.476 400 HB3 MET 55 3HB MET 55 9.764 -9.580 7.680 401 HG2 MET 55 2HG MET 55 8.349 -9.658 5.623 402 HG3 MET 55 3HG MET 55 7.142 -8.640 6.421 403 HE1 MET 55 3HE MET 55 11.150 -7.816 4.667 404 HE2 MET 55 1HE MET 55 11.424 -7.575 6.425 405 HE3 MET 55 2HE MET 55 10.754 -9.129 5.826 406 H GLU 56 H GLU 56 9.799 -12.509 8.203 407 HA GLU 56 HA GLU 56 10.086 -12.402 11.135 408 HB2 GLU 56 2HB GLU 56 9.915 -14.887 9.362 409 HB3 GLU 56 3HB GLU 56 10.311 -14.886 11.086 410 HG2 GLU 56 2HG GLU 56 8.064 -13.944 11.608 411 HG3 GLU 56 3HG GLU 56 7.667 -13.922 9.885 412 H ALA 57 H ALA 57 12.208 -12.956 11.945 413 HA ALA 57 HA ALA 57 14.264 -12.727 9.840 414 HB1 ALA 57 3HB ALA 57 14.276 -11.843 12.767 415 HB2 ALA 57 1HB ALA 57 15.649 -11.689 11.619 416 HB3 ALA 57 2HB ALA 57 14.131 -10.773 11.332 417 H LYS 58 H LYS 58 15.712 -14.387 9.605 418 HA LYS 58 HA LYS 58 15.646 -16.579 11.475 419 HB2 LYS 58 2HB LYS 58 15.920 -16.893 9.021 420 HB3 LYS 58 3HB LYS 58 17.432 -15.977 9.068 421 HG2 LYS 58 2HG LYS 58 18.489 -17.692 10.474 422 HG3 LYS 58 3HG LYS 58 16.962 -18.575 10.610 423 HD2 LYS 58 2HD LYS 58 16.946 -18.935 8.135 424 HD3 LYS 58 3HD LYS 58 18.467 -18.044 7.993 425 HE2 LYS 58 2HE LYS 58 19.598 -19.713 9.458 426 HE3 LYS 58 3HE LYS 58 18.076 -20.595 9.646 427 HZ1 LYS 58 3HZ LYS 58 19.492 -20.170 7.092 428 HZ2 LYS 58 1HZ LYS 58 19.455 -21.562 7.944 429 HZ3 LYS 58 2HZ LYS 58 18.087 -20.984 7.265 430 H ASP 59 H ASP 59 17.745 -13.727 10.791 431 HA ASP 59 HA ASP 59 19.619 -14.755 12.826 432 HB2 ASP 59 2HB ASP 59 20.090 -12.855 10.478 433 HB3 ASP 59 3HB ASP 59 21.301 -13.310 11.684 434 H GLY 60 H GLY 60 17.318 -12.226 11.967 435 HA2 GLY 60 2HA GLY 60 16.636 -10.762 13.734 436 HA3 GLY 60 3HA GLY 60 18.320 -10.654 14.262 437 H SER 61 H SER 61 17.028 -10.446 10.858 438 HA SER 61 HA SER 61 18.575 -7.964 10.618 439 HB2 SER 61 2HB SER 61 17.311 -9.778 8.513 440 HB3 SER 61 3HB SER 61 18.357 -8.387 8.197 441 HG SER 61 HG SER 61 19.201 -10.780 8.392 442 H MET 62 H MET 62 15.235 -9.311 10.133 443 HA MET 62 HA MET 62 14.130 -6.673 10.383 444 HB2 MET 62 2HB MET 62 13.051 -6.656 8.167 445 HB3 MET 62 3HB MET 62 14.813 -6.562 8.040 446 HG2 MET 62 2HG MET 62 14.780 -9.111 7.645 447 HG3 MET 62 3HG MET 62 13.026 -8.963 7.469 448 HE1 MET 62 3HE MET 62 16.458 -8.237 4.940 449 HE2 MET 62 1HE MET 62 16.076 -6.510 5.250 450 HE3 MET 62 2HE MET 62 16.348 -7.631 6.627 451 H GLY 63 H GLY 63 11.716 -6.747 10.471 452 HA2 GLY 63 2HA GLY 63 10.166 -8.932 9.905 453 HA3 GLY 63 3HA GLY 63 10.763 -9.228 11.543 454 H PHE 64 H PHE 64 7.958 -8.767 10.813 455 HA PHE 64 HA PHE 64 7.308 -7.068 12.929 456 HB2 PHE 64 2HB PHE 64 6.289 -5.180 11.744 457 HB3 PHE 64 3HB PHE 64 8.030 -5.244 11.439 458 HD1 PHE 64 HD1 PHE 64 4.811 -6.509 9.941 459 HD2 PHE 64 HD2 PHE 64 8.770 -4.985 9.256 460 HE1 PHE 64 HE1 PHE 64 4.385 -6.492 7.502 461 HE2 PHE 64 HE2 PHE 64 8.340 -4.964 6.820 462 HZ PHE 64 HZ PHE 64 6.148 -5.721 5.937 463 H ASP 65 H ASP 65 4.859 -6.748 13.074 464 HA ASP 65 HA ASP 65 3.461 -8.703 11.359 465 HB2 ASP 65 2HB ASP 65 3.745 -9.517 13.692 466 HB3 ASP 65 3HB ASP 65 2.996 -8.037 14.307 467 H PHE 66 H PHE 66 2.232 -7.532 9.924 468 HA PHE 66 HA PHE 66 0.807 -5.192 11.021 469 HB2 PHE 66 2HB PHE 66 1.680 -5.980 8.206 470 HB3 PHE 66 3HB PHE 66 0.465 -4.729 8.501 471 HD1 PHE 66 HD1 PHE 66 2.335 -4.284 11.283 472 HD2 PHE 66 HD2 PHE 66 2.771 -3.927 7.025 473 HE1 PHE 66 HE1 PHE 66 4.132 -2.613 11.607 474 HE2 PHE 66 HE2 PHE 66 4.570 -2.259 7.350 475 HZ PHE 66 HZ PHE 66 5.255 -1.600 9.642 476 H ALA 67 H ALA 67 -1.418 -5.230 11.151 477 HA ALA 67 HA ALA 67 -2.849 -7.208 9.543 478 HB1 ALA 67 3HB ALA 67 -3.068 -6.941 12.582 479 HB2 ALA 67 1HB ALA 67 -4.144 -7.929 11.537 480 HB3 ALA 67 2HB ALA 67 -2.403 -8.346 11.683 481 H GLY 68 H GLY 68 -4.973 -6.561 8.977 482 HA2 GLY 68 2HA GLY 68 -6.206 -4.373 10.394 483 HA3 GLY 68 3HA GLY 68 -5.611 -3.931 8.788 484 H THR 69 H THR 69 -8.271 -3.634 8.986 485 HA THR 69 HA THR 69 -9.214 -5.945 7.447 486 HB THR 69 HB THR 69 -11.484 -5.595 8.391 487 HG1 THR 69 HG1 THR 69 -10.666 -3.249 9.067 488 HG21 THR 69 3HG2 THR 69 -9.324 -5.983 10.522 489 HG22 THR 69 1HG2 THR 69 -11.045 -6.477 10.666 490 HG23 THR 69 2HG2 THR 69 -9.987 -7.254 9.440 491 H TYR 70 H TYR 70 -10.521 -5.426 5.606 492 HA TYR 70 HA TYR 70 -10.271 -2.658 4.758 493 HB2 TYR 70 2HB TYR 70 -11.117 -5.272 3.439 494 HB3 TYR 70 3HB TYR 70 -11.356 -3.713 2.641 495 HD1 TYR 70 HD1 TYR 70 -9.273 -2.208 2.301 496 HD2 TYR 70 HD2 TYR 70 -9.027 -6.370 3.324 497 HE1 TYR 70 HE1 TYR 70 -6.942 -2.270 1.474 498 HE2 TYR 70 HE2 TYR 70 -6.692 -6.437 2.503 499 HH TYR 70 HH TYR 70 -4.873 -5.078 1.993 500 H THR 71 H THR 71 -12.035 -1.270 4.224 501 HA THR 71 HA THR 71 -14.498 -2.115 5.581 502 HB THR 71 HB THR 71 -14.876 0.272 6.059 503 HG1 THR 71 HG1 THR 71 -13.498 1.856 5.309 504 HG21 THR 71 3HG2 THR 71 -12.040 -0.619 6.784 505 HG22 THR 71 1HG2 THR 71 -12.985 0.663 7.613 506 HG23 THR 71 2HG2 THR 71 -13.544 -1.042 7.671 507 H LYS 72 H LYS 72 -13.061 -0.776 2.586 508 HA LYS 72 HA LYS 72 -15.545 -0.974 1.188 509 HB2 LYS 72 2HB LYS 72 -15.743 1.194 2.555 510 HB3 LYS 72 3HB LYS 72 -14.406 1.826 1.587 511 HG2 LYS 72 2HG LYS 72 -15.732 1.560 -0.481 512 HG3 LYS 72 3HG LYS 72 -17.054 0.822 0.432 513 HD2 LYS 72 2HD LYS 72 -17.152 2.978 1.830 514 HD3 LYS 72 3HD LYS 72 -16.013 3.690 0.679 515 HE2 LYS 72 2HE LYS 72 -17.612 3.207 -1.191 516 HE3 LYS 72 3HE LYS 72 -18.753 2.515 -0.030 517 HZ1 LYS 72 3HZ LYS 72 -17.798 5.307 -0.017 518 HZ2 LYS 72 1HZ LYS 72 -19.267 4.801 -0.519 519 HZ3 LYS 72 2HZ LYS 72 -18.851 4.667 1.054 520 H VAL 73 H VAL 73 -15.148 -1.168 -1.031 521 HA VAL 73 HA VAL 73 -12.665 0.021 -2.006 522 HB VAL 73 HB VAL 73 -13.606 -2.831 -2.608 523 HG11 VAL 73 1HG1 VAL 73 -11.566 -2.978 -4.002 524 HG12 VAL 73 2HG1 VAL 73 -12.701 -1.725 -4.608 525 HG13 VAL 73 3HG1 VAL 73 -11.234 -1.241 -3.692 526 HG21 VAL 73 3HG2 VAL 73 -12.497 -2.623 -0.424 527 HG22 VAL 73 1HG2 VAL 73 -11.449 -3.495 -1.594 528 HG23 VAL 73 2HG2 VAL 73 -11.112 -1.777 -1.194 529 H VAL 74 H VAL 74 -13.011 1.176 -3.916 530 HA VAL 74 HA VAL 74 -15.691 0.831 -5.073 531 HB VAL 74 HB VAL 74 -14.236 3.444 -4.412 532 HG11 VAL 74 1HG1 VAL 74 -16.309 4.543 -5.202 533 HG12 VAL 74 2HG1 VAL 74 -15.510 3.605 -6.508 534 HG13 VAL 74 3HG1 VAL 74 -16.965 2.943 -5.689 535 HG21 VAL 74 3HG2 VAL 74 -15.185 2.348 -2.426 536 HG22 VAL 74 1HG2 VAL 74 -16.121 3.819 -2.852 537 HG23 VAL 74 2HG2 VAL 74 -16.771 2.194 -3.254 538 H GLU 75 H GLU 75 -15.691 0.622 -7.303 539 HA GLU 75 HA GLU 75 -14.981 0.660 -9.415 540 HB2 GLU 75 2HB GLU 75 -13.960 3.377 -8.464 541 HB3 GLU 75 3HB GLU 75 -14.022 2.881 -10.160 542 HG2 GLU 75 2HG GLU 75 -16.493 2.620 -10.002 543 HG3 GLU 75 3HG GLU 75 -16.440 3.090 -8.298 544 H ASN 76 H ASN 76 -13.138 -0.709 -7.565 545 HA ASN 76 HA ASN 76 -11.002 -1.207 -7.176 546 HB2 ASN 76 2HB ASN 76 -10.864 -0.919 -10.202 547 HB3 ASN 76 3HB ASN 76 -9.727 -1.817 -9.188 548 HD21 ASN 76 1HD2 ASN 76 -12.247 -2.133 -11.205 549 HD22 ASN 76 2HD2 ASN 76 -12.841 -3.676 -10.687 550 H LYS 77 H LYS 77 -11.115 1.410 -6.392 551 HA LYS 77 HA LYS 77 -9.021 2.854 -7.790 552 HB2 LYS 77 2HB LYS 77 -11.014 3.203 -9.219 553 HB3 LYS 77 3HB LYS 77 -11.952 3.728 -7.815 554 HG2 LYS 77 2HG LYS 77 -10.486 5.698 -7.531 555 HG3 LYS 77 3HG LYS 77 -9.459 5.157 -8.865 556 HD2 LYS 77 2HD LYS 77 -11.436 5.294 -10.417 557 HD3 LYS 77 3HD LYS 77 -12.429 5.885 -9.079 558 HE2 LYS 77 2HE LYS 77 -10.895 7.844 -8.805 559 HE3 LYS 77 3HE LYS 77 -9.899 7.252 -10.141 560 HZ1 LYS 77 3HZ LYS 77 -12.736 8.033 -10.352 561 HZ2 LYS 77 1HZ LYS 77 -11.461 8.911 -10.872 562 HZ3 LYS 77 2HZ LYS 77 -11.816 7.486 -11.585 563 H ARG 78 H ARG 78 -11.412 2.471 -5.160 564 HA ARG 78 HA ARG 78 -9.746 4.287 -3.576 565 HB2 ARG 78 2HB ARG 78 -12.773 4.350 -3.696 566 HB3 ARG 78 3HB ARG 78 -11.791 5.147 -2.459 567 HG2 ARG 78 2HG ARG 78 -10.690 6.520 -4.207 568 HG3 ARG 78 3HG ARG 78 -11.651 5.713 -5.454 569 HD2 ARG 78 2HD ARG 78 -13.710 6.562 -4.388 570 HD3 ARG 78 3HD ARG 78 -12.722 7.405 -3.187 571 HE ARG 78 HE ARG 78 -11.825 8.268 -5.693 572 HH11 ARG 78 1HH1 ARG 78 -14.843 8.354 -3.893 573 HH12 ARG 78 2HH1 ARG 78 -15.352 9.853 -4.595 574 HH21 ARG 78 1HH2 ARG 78 -12.496 10.182 -6.593 575 HH22 ARG 78 2HH2 ARG 78 -14.006 10.903 -6.146 576 H ILE 79 H ILE 79 -9.095 3.354 -1.673 577 HA ILE 79 HA ILE 79 -10.637 1.021 -0.786 578 HB ILE 79 HB ILE 79 -7.598 1.210 -1.120 579 HG12 ILE 79 2HG1 ILE 79 -9.637 -0.643 -2.441 580 HG13 ILE 79 3HG1 ILE 79 -8.957 0.800 -3.203 581 HG21 ILE 79 1HG2 ILE 79 -7.567 -1.118 -0.292 582 HG22 ILE 79 2HG2 ILE 79 -8.200 0.022 0.943 583 HG23 ILE 79 3HG2 ILE 79 -9.333 -1.026 0.024 584 HD11 ILE 79 3HD1 ILE 79 -7.374 -1.632 -2.261 585 HD12 ILE 79 1HD1 ILE 79 -7.801 -1.227 -3.958 586 HD13 ILE 79 2HD1 ILE 79 -6.683 -0.167 -3.036 587 H GLU 80 H GLU 80 -11.205 1.255 1.355 588 HA GLU 80 HA GLU 80 -9.351 2.803 3.053 589 HB2 GLU 80 2HB GLU 80 -11.559 3.916 2.619 590 HB3 GLU 80 3HB GLU 80 -12.383 2.503 3.291 591 HG2 GLU 80 2HG GLU 80 -11.119 2.909 5.470 592 HG3 GLU 80 3HG GLU 80 -10.523 4.421 4.773 593 H TYR 81 H TYR 81 -8.660 1.848 4.973 594 HA TYR 81 HA TYR 81 -10.047 -0.524 5.920 595 HB2 TYR 81 2HB TYR 81 -8.013 -1.894 5.913 596 HB3 TYR 81 3HB TYR 81 -8.465 -1.437 4.266 597 HD1 TYR 81 HD1 TYR 81 -7.110 0.185 2.989 598 HD2 TYR 81 HD2 TYR 81 -5.969 -1.035 6.942 599 HE1 TYR 81 HE1 TYR 81 -4.844 1.107 2.616 600 HE2 TYR 81 HE2 TYR 81 -3.700 -0.115 6.576 601 HH TYR 81 HH TYR 81 -2.326 0.910 5.187 602 H ALA 82 H ALA 82 -9.061 -1.274 8.074 603 HA ALA 82 HA ALA 82 -7.989 1.096 9.470 604 HB1 ALA 82 3HB ALA 82 -9.822 -1.141 10.468 605 HB2 ALA 82 1HB ALA 82 -9.164 0.198 11.468 606 HB3 ALA 82 2HB ALA 82 -10.303 0.555 10.126 607 H PHE 83 H PHE 83 -6.144 0.861 10.727 608 HA PHE 83 HA PHE 83 -5.039 -1.875 10.829 609 HB2 PHE 83 2HB PHE 83 -3.881 -0.574 9.109 610 HB3 PHE 83 3HB PHE 83 -3.657 0.782 10.222 611 HD1 PHE 83 HD1 PHE 83 -2.594 -2.673 9.406 612 HD2 PHE 83 HD2 PHE 83 -1.922 0.756 11.907 613 HE1 PHE 83 HE1 PHE 83 -0.432 -3.631 10.140 614 HE2 PHE 83 HE2 PHE 83 0.243 -0.199 12.633 615 HZ PHE 83 HZ PHE 83 0.990 -2.395 11.752 616 H GLY 84 H GLY 84 -5.380 -2.421 12.995 617 HA2 GLY 84 2HA GLY 84 -5.052 -2.373 15.212 618 HA3 GLY 84 3HA GLY 84 -3.815 -1.134 14.963 619 H ASP 85 H ASP 85 -4.229 0.732 16.108 620 HA ASP 85 HA ASP 85 -7.036 1.482 16.506 621 HB2 ASP 85 2HB ASP 85 -6.130 3.057 18.162 622 HB3 ASP 85 3HB ASP 85 -5.610 1.401 18.501 623 H ARG 86 H ARG 86 -5.021 1.809 13.987 624 HA ARG 86 HA ARG 86 -5.654 4.665 13.646 625 HB2 ARG 86 2HB ARG 86 -3.273 3.099 12.627 626 HB3 ARG 86 3HB ARG 86 -3.732 4.702 12.039 627 HG2 ARG 86 2HG ARG 86 -3.548 5.540 14.428 628 HG3 ARG 86 3HG ARG 86 -2.901 3.956 14.874 629 HD2 ARG 86 2HD ARG 86 -1.697 5.789 12.792 630 HD3 ARG 86 3HD ARG 86 -1.204 5.728 14.489 631 HE ARG 86 HE ARG 86 -0.331 3.517 14.123 632 HH11 ARG 86 1HH1 ARG 86 -1.412 5.096 11.176 633 HH12 ARG 86 2HH1 ARG 86 -0.436 4.101 10.148 634 HH21 ARG 86 1HH2 ARG 86 0.905 2.241 12.793 635 HH22 ARG 86 2HH2 ARG 86 0.894 2.461 11.075 636 H THR 87 H THR 87 -5.779 5.257 11.174 637 HA THR 87 HA THR 87 -6.966 3.001 9.717 638 HB THR 87 HB THR 87 -8.644 4.560 8.764 639 HG1 THR 87 HG1 THR 87 -8.863 6.675 9.796 640 HG21 THR 87 3HG2 THR 87 -8.598 4.543 11.823 641 HG22 THR 87 1HG2 THR 87 -10.040 4.839 10.794 642 HG23 THR 87 2HG2 THR 87 -9.229 3.236 10.765 643 H ALA 88 H ALA 88 -6.842 3.229 7.318 644 HA ALA 88 HA ALA 88 -5.256 5.450 6.321 645 HB1 ALA 88 3HB ALA 88 -4.396 2.529 6.039 646 HB2 ALA 88 1HB ALA 88 -3.666 3.924 5.176 647 HB3 ALA 88 2HB ALA 88 -3.538 3.807 6.963 648 H LYS 89 H LYS 89 -5.512 5.781 4.030 649 HA LYS 89 HA LYS 89 -7.430 3.966 2.736 650 HB2 LYS 89 2HB LYS 89 -8.623 5.952 3.736 651 HB3 LYS 89 3HB LYS 89 -7.606 7.017 2.756 652 HG2 LYS 89 2HG LYS 89 -8.533 6.061 0.680 653 HG3 LYS 89 3HG LYS 89 -9.472 4.882 1.605 654 HD2 LYS 89 2HD LYS 89 -10.686 6.779 2.741 655 HD3 LYS 89 3HD LYS 89 -9.779 7.929 1.750 656 HE2 LYS 89 2HE LYS 89 -10.722 6.930 -0.319 657 HE3 LYS 89 3HE LYS 89 -11.580 5.714 0.637 658 HZ1 LYS 89 3HZ LYS 89 -12.025 8.627 0.794 659 HZ2 LYS 89 1HZ LYS 89 -13.004 7.549 0.055 660 HZ3 LYS 89 2HZ LYS 89 -12.818 7.505 1.677 661 H VAL 90 H VAL 90 -6.850 3.456 0.645 662 HA VAL 90 HA VAL 90 -4.717 5.110 -0.514 663 HB VAL 90 HB VAL 90 -5.456 2.189 -1.066 664 HG11 VAL 90 1HG1 VAL 90 -3.369 2.152 -2.394 665 HG12 VAL 90 2HG1 VAL 90 -4.559 3.324 -3.052 666 HG13 VAL 90 3HG1 VAL 90 -3.155 3.910 -2.099 667 HG21 VAL 90 3HG2 VAL 90 -4.429 2.492 1.149 668 HG22 VAL 90 1HG2 VAL 90 -3.293 1.673 0.024 669 HG23 VAL 90 2HG2 VAL 90 -3.078 3.415 0.409 670 H GLU 91 H GLU 91 -5.110 6.144 -2.475 671 HA GLU 91 HA GLU 91 -7.623 5.411 -3.841 672 HB2 GLU 91 2HB GLU 91 -6.474 8.182 -3.264 673 HB3 GLU 91 3HB GLU 91 -7.821 7.870 -4.368 674 HG2 GLU 91 2HG GLU 91 -9.138 6.906 -2.467 675 HG3 GLU 91 3HG GLU 91 -7.796 7.258 -1.370 676 H PHE 92 H PHE 92 -7.616 5.597 -6.153 677 HA PHE 92 HA PHE 92 -4.942 6.106 -7.300 678 HB2 PHE 92 2HB PHE 92 -7.159 4.240 -8.277 679 HB3 PHE 92 3HB PHE 92 -5.630 4.544 -9.111 680 HD1 PHE 92 HD1 PHE 92 -7.157 3.067 -6.055 681 HD2 PHE 92 HD2 PHE 92 -3.608 3.453 -8.444 682 HE1 PHE 92 HE1 PHE 92 -6.090 1.242 -4.766 683 HE2 PHE 92 HE2 PHE 92 -2.542 1.626 -7.156 684 HZ PHE 92 HZ PHE 92 -3.782 0.519 -5.313 685 H LEU 93 H LEU 93 -4.803 7.778 -8.751 686 HA LEU 93 HA LEU 93 -7.362 8.845 -9.765 687 HB2 LEU 93 2HB LEU 93 -4.682 10.245 -9.317 688 HB3 LEU 93 3HB LEU 93 -6.155 10.999 -9.942 689 HG LEU 93 HG LEU 93 -5.854 9.791 -7.140 690 HD11 LEU 93 1HD1 LEU 93 -5.897 12.140 -6.386 691 HD12 LEU 93 2HD1 LEU 93 -4.489 11.816 -7.453 692 HD13 LEU 93 3HD1 LEU 93 -5.920 12.691 -8.095 693 HD21 LEU 93 3HD2 LEU 93 -8.151 9.665 -8.036 694 HD22 LEU 93 1HD2 LEU 93 -8.031 10.892 -6.730 695 HD23 LEU 93 2HD2 LEU 93 -8.092 11.412 -8.448 696 H GLU 94 H GLU 94 -7.713 8.725 -11.946 697 HA GLU 94 HA GLU 94 -5.587 7.667 -13.597 698 HB2 GLU 94 2HB GLU 94 -7.942 6.878 -13.764 699 HB3 GLU 94 3HB GLU 94 -8.461 8.507 -14.216 700 HG2 GLU 94 2HG GLU 94 -7.061 8.385 -16.277 701 HG3 GLU 94 3HG GLU 94 -6.531 6.760 -15.824 702 H ALA 95 H ALA 95 -4.123 8.920 -14.682 703 HA ALA 95 HA ALA 95 -5.068 11.577 -15.559 704 HB1 ALA 95 3HB ALA 95 -2.241 10.580 -14.960 705 HB2 ALA 95 1HB ALA 95 -2.667 12.204 -15.597 706 HB3 ALA 95 2HB ALA 95 -3.206 11.713 -13.955 707 HA PRO 96 HA PRO 96 -4.468 10.345 -19.760 708 HB2 PRO 96 2HB PRO 96 -3.336 12.653 -20.841 709 HB3 PRO 96 3HB PRO 96 -5.047 12.582 -20.399 710 HG2 PRO 96 2HG PRO 96 -2.713 13.707 -18.813 711 HG3 PRO 96 3HG PRO 96 -4.312 14.412 -19.085 712 HD2 PRO 96 2HD PRO 96 -3.755 13.138 -16.756 713 HD3 PRO 96 3HD PRO 96 -5.360 12.999 -17.485 714 H GLN 97 H GLN 97 -1.631 11.500 -17.935 715 HA GLN 97 HA GLN 97 0.074 10.308 -20.007 716 HB2 GLN 97 2HB GLN 97 0.703 12.095 -17.604 717 HB3 GLN 97 3HB GLN 97 1.904 11.466 -18.739 718 HG2 GLN 97 2HG GLN 97 0.777 12.689 -20.599 719 HG3 GLN 97 3HG GLN 97 -0.410 13.327 -19.455 720 HE21 GLN 97 1HE2 GLN 97 0.566 15.360 -20.491 721 HE22 GLN 97 2HE2 GLN 97 1.909 16.083 -19.669 722 H GLY 98 H GLY 98 -1.416 9.542 -16.970 723 HA2 GLY 98 2HA GLY 98 -0.175 7.065 -16.733 724 HA3 GLY 98 3HA GLY 98 0.740 8.191 -15.723 725 H VAL 99 H VAL 99 -0.206 6.458 -14.082 726 HA VAL 99 HA VAL 99 -2.752 7.578 -13.124 727 HB VAL 99 HB VAL 99 -1.601 4.757 -12.852 728 HG11 VAL 99 1HG1 VAL 99 -3.617 4.241 -11.509 729 HG12 VAL 99 2HG1 VAL 99 -2.577 5.467 -10.709 730 HG13 VAL 99 3HG1 VAL 99 -4.081 5.975 -11.548 731 HG21 VAL 99 3HG2 VAL 99 -2.740 5.215 -14.982 732 HG22 VAL 99 1HG2 VAL 99 -3.710 4.095 -13.967 733 HG23 VAL 99 2HG2 VAL 99 -4.178 5.825 -14.096 734 H THR 100 H THR 100 -2.786 8.394 -11.014 735 HA THR 100 HA THR 100 -0.188 8.373 -9.676 736 HB THR 100 HB THR 100 -2.654 10.160 -9.347 737 HG1 THR 100 HG1 THR 100 0.030 10.816 -10.244 738 HG21 THR 100 3HG2 THR 100 0.076 10.284 -7.975 739 HG22 THR 100 1HG2 THR 100 -1.228 11.511 -7.837 740 HG23 THR 100 2HG2 THR 100 -1.484 9.853 -7.196 741 H VAL 101 H VAL 101 0.107 7.325 -7.711 742 HA VAL 101 HA VAL 101 -2.313 6.162 -6.527 743 HB VAL 101 HB VAL 101 0.623 5.334 -6.276 744 HG11 VAL 101 1HG1 VAL 101 -0.278 3.329 -5.132 745 HG12 VAL 101 2HG1 VAL 101 -0.665 4.838 -4.239 746 HG13 VAL 101 3HG1 VAL 101 -1.930 4.026 -5.222 747 HG21 VAL 101 3HG2 VAL 101 -0.300 4.874 -8.509 748 HG22 VAL 101 1HG2 VAL 101 -0.067 3.350 -7.588 749 HG23 VAL 101 2HG2 VAL 101 -1.712 4.048 -7.769 750 H ARG 102 H ARG 102 -3.001 7.010 -4.584 751 HA ARG 102 HA ARG 102 -0.994 8.521 -3.044 752 HB2 ARG 102 2HB ARG 102 -3.922 9.103 -3.517 753 HB3 ARG 102 3HB ARG 102 -2.984 9.839 -2.211 754 HG2 ARG 102 2HG ARG 102 -1.387 10.752 -3.909 755 HG3 ARG 102 3HG ARG 102 -2.392 10.067 -5.193 756 HD2 ARG 102 2HD ARG 102 -4.248 11.468 -4.571 757 HD3 ARG 102 3HD ARG 102 -3.382 12.061 -3.148 758 HE ARG 102 HE ARG 102 -1.822 12.654 -5.429 759 HH11 ARG 102 1HH1 ARG 102 -4.926 13.564 -4.053 760 HH12 ARG 102 2HH1 ARG 102 -4.883 15.162 -4.720 761 HH21 ARG 102 1HH2 ARG 102 -1.786 14.700 -6.285 762 HH22 ARG 102 2HH2 ARG 102 -3.080 15.816 -6.002 763 H VAL 103 H VAL 103 -0.636 7.868 -0.954 764 HA VAL 103 HA VAL 103 -2.732 6.186 0.238 765 HB VAL 103 HB VAL 103 0.299 6.057 0.666 766 HG11 VAL 103 1HG1 VAL 103 -0.206 4.087 2.074 767 HG12 VAL 103 2HG1 VAL 103 -0.947 5.585 2.730 768 HG13 VAL 103 3HG1 VAL 103 -1.963 4.388 1.858 769 HG21 VAL 103 3HG2 VAL 103 -0.398 5.107 -1.491 770 HG22 VAL 103 1HG2 VAL 103 0.110 3.811 -0.356 771 HG23 VAL 103 2HG2 VAL 103 -1.636 4.103 -0.663 772 H SER 104 H SER 104 -3.708 7.156 1.991 773 HA SER 104 HA SER 104 -2.053 9.042 3.556 774 HB2 SER 104 2HB SER 104 -5.052 8.966 3.000 775 HB3 SER 104 3HB SER 104 -4.301 10.002 4.221 776 HG SER 104 HG SER 104 -4.609 11.092 2.203 777 H PHE 105 H PHE 105 -1.848 8.682 5.761 778 HA PHE 105 HA PHE 105 -3.543 6.629 6.967 779 HB2 PHE 105 2HB PHE 105 -1.578 5.436 7.850 780 HB3 PHE 105 3HB PHE 105 -1.617 5.386 6.082 781 HD1 PHE 105 HD1 PHE 105 -0.042 6.789 4.751 782 HD2 PHE 105 HD2 PHE 105 0.198 6.549 9.035 783 HE1 PHE 105 HE1 PHE 105 2.257 7.703 4.676 784 HE2 PHE 105 HE2 PHE 105 2.496 7.467 8.956 785 HZ PHE 105 HZ PHE 105 3.529 8.046 6.779 786 H VAL 106 H VAL 106 -3.490 6.680 9.346 787 HA VAL 106 HA VAL 106 -3.088 9.311 10.344 788 HB VAL 106 HB VAL 106 -3.739 6.651 11.708 789 HG11 VAL 106 1HG1 VAL 106 -4.393 8.019 13.665 790 HG12 VAL 106 2HG1 VAL 106 -2.643 8.177 13.295 791 HG13 VAL 106 3HG1 VAL 106 -3.780 9.490 12.837 792 HG21 VAL 106 3HG2 VAL 106 -5.468 7.451 10.158 793 HG22 VAL 106 1HG2 VAL 106 -6.019 7.600 11.860 794 HG23 VAL 106 2HG2 VAL 106 -5.468 9.055 10.964 795 H ALA 107 H ALA 107 -1.386 10.142 11.595 796 HA ALA 107 HA ALA 107 1.101 8.802 11.477 797 HB1 ALA 107 3HB ALA 107 0.157 11.201 13.123 798 HB2 ALA 107 1HB ALA 107 1.866 10.709 12.873 799 HB3 ALA 107 2HB ALA 107 0.876 11.255 11.478 800 H GLU 108 H GLU 108 2.133 7.436 12.901 801 HA GLU 108 HA GLU 108 0.668 6.734 15.330 802 HB2 GLU 108 2HB GLU 108 1.559 4.999 13.723 803 HB3 GLU 108 3HB GLU 108 3.200 5.547 14.094 804 HG2 GLU 108 2HG GLU 108 3.097 4.745 16.333 805 HG3 GLU 108 3HG GLU 108 1.332 4.627 16.312 806 H THR 109 H THR 109 1.365 7.216 17.415 807 HA THR 109 HA THR 109 3.000 9.483 17.594 808 HB THR 109 HB THR 109 2.715 9.204 20.051 809 HG1 THR 109 HG1 THR 109 1.461 7.338 20.777 810 HG21 THR 109 3HG2 THR 109 0.187 8.611 18.435 811 HG22 THR 109 1HG2 THR 109 0.239 9.285 20.099 812 HG23 THR 109 2HG2 THR 109 0.904 10.232 18.725 813 H GLU 110 H GLU 110 3.761 6.042 17.586 814 HA GLU 110 HA GLU 110 6.079 6.278 19.270 815 HB2 GLU 110 2HB GLU 110 5.040 4.094 17.402 816 HB3 GLU 110 3HB GLU 110 6.483 3.926 18.411 817 HG2 GLU 110 2HG GLU 110 5.101 4.248 20.457 818 HG3 GLU 110 3HG GLU 110 3.656 4.444 19.457 819 H TYR 111 H TYR 111 5.356 6.952 15.906 820 HA TYR 111 HA TYR 111 8.252 6.947 15.342 821 HB2 TYR 111 2HB TYR 111 5.926 6.160 13.520 822 HB3 TYR 111 3HB TYR 111 7.582 6.428 12.959 823 HD1 TYR 111 HD1 TYR 111 9.375 4.836 13.514 824 HD2 TYR 111 HD2 TYR 111 5.346 4.172 14.837 825 HE1 TYR 111 HE1 TYR 111 9.938 2.482 14.036 826 HE2 TYR 111 HE2 TYR 111 5.901 1.817 15.362 827 HH TYR 111 HH TYR 111 7.452 0.246 15.379 828 HA PRO 112 HA PRO 112 7.740 11.239 14.369 829 HB2 PRO 112 2HB PRO 112 9.810 10.617 12.220 830 HB3 PRO 112 3HB PRO 112 9.878 11.849 13.487 831 HG2 PRO 112 2HG PRO 112 11.369 9.650 13.724 832 HG3 PRO 112 3HG PRO 112 10.550 10.298 15.151 833 HD2 PRO 112 2HD PRO 112 9.764 7.920 13.418 834 HD3 PRO 112 3HD PRO 112 9.709 8.075 15.179 835 H VAL 113 H VAL 113 6.586 12.543 13.033 836 HA VAL 113 HA VAL 113 4.891 11.348 11.212 837 HB VAL 113 HB VAL 113 5.817 14.242 11.536 838 HG11 VAL 113 1HG1 VAL 113 3.856 14.875 10.165 839 HG12 VAL 113 2HG1 VAL 113 5.044 13.907 9.227 840 HG13 VAL 113 3HG1 VAL 113 3.537 13.139 9.829 841 HG21 VAL 113 3HG2 VAL 113 4.592 13.292 13.443 842 HG22 VAL 113 1HG2 VAL 113 3.596 14.520 12.592 843 HG23 VAL 113 2HG2 VAL 113 3.266 12.772 12.348 844 H GLU 114 H GLU 114 8.012 13.161 10.643 845 HA GLU 114 HA GLU 114 7.789 13.070 7.824 846 HB2 GLU 114 2HB GLU 114 10.126 13.460 9.748 847 HB3 GLU 114 3HB GLU 114 10.299 13.558 7.991 848 HG2 GLU 114 2HG GLU 114 8.716 15.447 7.902 849 HG3 GLU 114 3HG GLU 114 8.414 15.314 9.639 850 H GLN 115 H GLN 115 9.274 10.856 10.282 851 HA GLN 115 HA GLN 115 10.815 9.405 8.424 852 HB2 GLN 115 2HB GLN 115 11.163 9.454 10.903 853 HB3 GLN 115 3HB GLN 115 9.644 8.578 11.129 854 HG2 GLN 115 2HG GLN 115 11.500 7.023 11.309 855 HG3 GLN 115 3HG GLN 115 10.565 6.646 9.856 856 HE21 GLN 115 1HE2 GLN 115 12.014 5.842 8.443 857 HE22 GLN 115 2HE2 GLN 115 13.489 6.611 7.961 858 H GLN 116 H GLN 116 7.438 8.965 9.701 859 HA GLN 116 HA GLN 116 7.057 6.456 8.447 860 HB2 GLN 116 2HB GLN 116 5.195 8.628 9.508 861 HB3 GLN 116 3HB GLN 116 4.580 7.146 8.765 862 HG2 GLN 116 2HG GLN 116 5.971 5.845 10.484 863 HG3 GLN 116 3HG GLN 116 6.270 7.390 11.291 864 HE21 GLN 116 1HE2 GLN 116 4.107 4.767 10.901 865 HE22 GLN 116 2HE2 GLN 116 2.784 5.389 11.830 866 H GLN 117 H GLN 117 6.450 9.890 7.423 867 HA GLN 117 HA GLN 117 4.980 9.254 5.124 868 HB2 GLN 117 2HB GLN 117 5.224 11.516 6.255 869 HB3 GLN 117 3HB GLN 117 6.864 11.617 5.602 870 HG2 GLN 117 2HG GLN 117 6.013 11.588 3.308 871 HG3 GLN 117 3HG GLN 117 4.364 11.302 3.880 872 HE21 GLN 117 1HE2 GLN 117 3.604 13.202 2.866 873 HE22 GLN 117 2HE2 GLN 117 3.936 14.781 3.497 874 H GLN 118 H GLN 118 8.561 9.665 5.664 875 HA GLN 118 HA GLN 118 9.228 9.421 2.934 876 HB2 GLN 118 2HB GLN 118 10.776 8.915 5.521 877 HB3 GLN 118 3HB GLN 118 11.512 8.835 3.915 878 HG2 GLN 118 2HG GLN 118 10.174 11.290 5.146 879 HG3 GLN 118 3HG GLN 118 11.916 11.012 5.022 880 HE21 GLN 118 1HE2 GLN 118 9.790 12.957 3.791 881 HE22 GLN 118 2HE2 GLN 118 10.237 13.018 2.119 882 H GLY 119 H GLY 119 8.810 7.001 5.617 883 HA2 GLY 119 2HA GLY 119 9.883 4.813 4.209 884 HA3 GLY 119 3HA GLY 119 8.755 4.760 5.570 885 H TRP 120 H TRP 120 6.445 6.036 4.517 886 HA TRP 120 HA TRP 120 5.409 3.898 2.952 887 HB2 TRP 120 2HB TRP 120 4.411 6.507 4.102 888 HB3 TRP 120 3HB TRP 120 3.466 5.747 2.814 889 HD1 TRP 120 HD1 TRP 120 4.325 5.409 6.514 890 HE1 TRP 120 HE1 TRP 120 2.942 3.484 7.545 891 HE3 TRP 120 HE3 TRP 120 2.417 3.386 2.193 892 HZ2 TRP 120 HZ2 TRP 120 1.269 1.401 6.664 893 HZ3 TRP 120 HZ3 TRP 120 0.916 1.408 2.365 894 HH2 TRP 120 HH2 TRP 120 0.350 0.439 4.541 895 H GLN 121 H GLN 121 6.626 7.218 2.219 896 HA GLN 121 HA GLN 121 5.770 7.247 -0.467 897 HB2 GLN 121 2HB GLN 121 6.570 9.232 0.808 898 HB3 GLN 121 3HB GLN 121 8.191 8.531 0.894 899 HG2 GLN 121 2HG GLN 121 8.151 10.201 -0.860 900 HG3 GLN 121 3HG GLN 121 8.347 8.605 -1.597 901 HE21 GLN 121 1HE2 GLN 121 7.252 8.471 -3.451 902 HE22 GLN 121 2HE2 GLN 121 5.673 9.114 -3.759 903 H ALA 122 H ALA 122 8.745 5.942 1.169 904 HA ALA 122 HA ALA 122 10.105 5.286 -1.203 905 HB1 ALA 122 3HB ALA 122 10.176 4.023 1.581 906 HB2 ALA 122 1HB ALA 122 11.394 3.774 0.285 907 HB3 ALA 122 2HB ALA 122 11.176 5.402 1.012 908 H ILE 123 H ILE 123 7.541 3.571 0.678 909 HA ILE 123 HA ILE 123 7.825 1.104 -0.593 910 HB ILE 123 HB ILE 123 5.443 2.522 0.687 911 HG12 ILE 123 2HG1 ILE 123 7.118 0.147 1.623 912 HG13 ILE 123 3HG1 ILE 123 7.440 1.823 2.087 913 HG21 ILE 123 1HG2 ILE 123 4.294 0.333 0.664 914 HG22 ILE 123 2HG2 ILE 123 4.599 0.947 -0.997 915 HG23 ILE 123 3HG2 ILE 123 5.633 -0.355 -0.317 916 HD11 ILE 123 3HD1 ILE 123 4.870 0.279 2.655 917 HD12 ILE 123 1HD1 ILE 123 6.175 0.650 3.831 918 HD13 ILE 123 2HD1 ILE 123 5.196 1.981 3.126 919 H LEU 124 H LEU 124 5.748 4.002 -1.404 920 HA LEU 124 HA LEU 124 4.627 2.824 -3.722 921 HB2 LEU 124 2HB LEU 124 5.036 5.706 -2.799 922 HB3 LEU 124 3HB LEU 124 4.177 5.279 -4.285 923 HG LEU 124 HG LEU 124 3.361 4.417 -1.459 924 HD11 LEU 124 1HD1 LEU 124 1.480 5.976 -1.800 925 HD12 LEU 124 2HD1 LEU 124 3.060 6.827 -1.862 926 HD13 LEU 124 3HD1 LEU 124 2.172 6.469 -3.382 927 HD21 LEU 124 3HD2 LEU 124 2.767 2.762 -3.193 928 HD22 LEU 124 1HD2 LEU 124 1.308 3.612 -2.580 929 HD23 LEU 124 2HD2 LEU 124 2.003 4.058 -4.175 930 H ASN 125 H ASN 125 7.668 4.668 -3.094 931 HA ASN 125 HA ASN 125 8.254 5.174 -5.796 932 HB2 ASN 125 2HB ASN 125 9.990 4.924 -3.318 933 HB3 ASN 125 3HB ASN 125 10.627 5.365 -4.908 934 HD21 ASN 125 1HD2 ASN 125 10.989 7.053 -2.873 935 HD22 ASN 125 2HD2 ASN 125 10.052 8.488 -3.124 936 H ASN 126 H ASN 126 9.009 2.374 -3.598 937 HA ASN 126 HA ASN 126 10.547 0.976 -5.496 938 HB2 ASN 126 2HB ASN 126 8.900 0.111 -3.097 939 HB3 ASN 126 3HB ASN 126 9.817 -1.030 -4.090 940 HD21 ASN 126 1HD2 ASN 126 10.326 -0.792 -1.447 941 HD22 ASN 126 2HD2 ASN 126 11.915 -0.138 -1.231 942 H PHE 127 H PHE 127 6.979 1.127 -4.830 943 HA PHE 127 HA PHE 127 6.240 -0.933 -6.577 944 HB2 PHE 127 2HB PHE 127 4.695 0.003 -4.947 945 HB3 PHE 127 3HB PHE 127 4.843 1.620 -5.646 946 HD1 PHE 127 HD1 PHE 127 3.846 -1.876 -6.628 947 HD2 PHE 127 HD2 PHE 127 3.234 2.343 -7.160 948 HE1 PHE 127 HE1 PHE 127 1.921 -2.342 -8.115 949 HE2 PHE 127 HE2 PHE 127 1.309 1.877 -8.644 950 HZ PHE 127 HZ PHE 127 0.650 -0.467 -9.126 951 H LYS 128 H LYS 128 6.926 2.586 -7.153 952 HA LYS 128 HA LYS 128 6.035 2.706 -9.784 953 HB2 LYS 128 2HB LYS 128 6.720 4.649 -8.400 954 HB3 LYS 128 3HB LYS 128 8.398 4.091 -8.424 955 HG2 LYS 128 2HG LYS 128 8.481 4.402 -10.889 956 HG3 LYS 128 3HG LYS 128 6.790 4.919 -10.892 957 HD2 LYS 128 2HD LYS 128 7.400 6.812 -9.333 958 HD3 LYS 128 3HD LYS 128 9.095 6.316 -9.433 959 HE2 LYS 128 2HE LYS 128 7.379 7.091 -11.849 960 HE3 LYS 128 3HE LYS 128 8.466 8.201 -11.003 961 HZ1 LYS 128 3HZ LYS 128 9.245 5.739 -12.425 962 HZ2 LYS 128 1HZ LYS 128 9.580 7.275 -12.864 963 HZ3 LYS 128 2HZ LYS 128 10.276 6.637 -11.532 964 H ARG 129 H ARG 129 9.299 1.713 -8.473 965 HA ARG 129 HA ARG 129 10.369 1.164 -11.025 966 HB2 ARG 129 2HB ARG 129 11.101 0.290 -8.230 967 HB3 ARG 129 3HB ARG 129 11.961 -0.300 -9.659 968 HG2 ARG 129 2HG ARG 129 12.468 2.071 -10.293 969 HG3 ARG 129 3HG ARG 129 11.673 2.615 -8.810 970 HD2 ARG 129 2HD ARG 129 13.294 1.426 -7.456 971 HD3 ARG 129 3HD ARG 129 14.053 0.751 -8.904 972 HE ARG 129 HE ARG 129 14.079 3.586 -9.086 973 HH11 ARG 129 1HH1 ARG 129 15.556 1.016 -7.199 974 HH12 ARG 129 2HH1 ARG 129 17.017 1.904 -6.922 975 HH21 ARG 129 1HH2 ARG 129 15.951 4.717 -8.710 976 HH22 ARG 129 2HH2 ARG 129 17.245 4.028 -7.787 977 H HIS 130 H HIS 130 8.344 -0.754 -8.740 978 HA HIS 130 HA HIS 130 8.589 -3.230 -10.004 979 HB2 HIS 130 2HB HIS 130 7.465 -2.898 -7.844 980 HB3 HIS 130 3HB HIS 130 6.237 -1.871 -8.596 981 HD2 HIS 130 HD2 HIS 130 4.042 -3.220 -9.554 982 HE1 HIS 130 HE1 HIS 130 5.638 -7.180 -9.242 983 H VAL 131 H VAL 131 6.255 -0.484 -10.663 984 HA VAL 131 HA VAL 131 5.057 -1.701 -12.865 985 HB VAL 131 HB VAL 131 5.532 1.229 -12.141 986 HG11 VAL 131 1HG1 VAL 131 3.789 1.769 -13.817 987 HG12 VAL 131 2HG1 VAL 131 5.242 1.033 -14.575 988 HG13 VAL 131 3HG1 VAL 131 3.759 0.049 -14.332 989 HG21 VAL 131 3HG2 VAL 131 4.105 -0.025 -10.582 990 HG22 VAL 131 1HG2 VAL 131 3.136 1.161 -11.521 991 HG23 VAL 131 2HG2 VAL 131 3.080 -0.583 -11.948 992 H GLU 132 H GLU 132 8.057 0.332 -12.565 993 HA GLU 132 HA GLU 132 8.482 0.757 -15.280 994 HB2 GLU 132 2HB GLU 132 9.701 1.895 -13.454 995 HB3 GLU 132 3HB GLU 132 10.464 0.370 -12.984 996 HG2 GLU 132 2HG GLU 132 11.610 0.262 -15.200 997 HG3 GLU 132 3HG GLU 132 10.851 1.789 -15.666 998 H SER 133 H SER 133 9.184 -2.123 -13.214 999 HA SER 133 HA SER 133 10.898 -3.349 -15.134 1000 HB2 SER 133 2HB SER 133 10.805 -5.240 -13.662 1001 HB3 SER 133 3HB SER 133 10.878 -3.786 -12.659 1002 HG SER 133 HG SER 133 8.381 -4.011 -12.786 1003 H HIS 134 H HIS 134 7.432 -2.919 -14.951 1004 HA HIS 134 HA HIS 134 7.020 -5.307 -16.622 1005 HB2 HIS 134 2HB HIS 134 5.110 -3.600 -14.953 1006 HB3 HIS 134 3HB HIS 134 4.580 -4.878 -16.054 1007 HD2 HIS 134 HD2 HIS 134 5.229 -4.565 -12.409 1008 HE1 HIS 134 HE1 HIS 134 6.311 -8.602 -13.334 1009 H LEU 135 H LEU 135 7.785 -2.105 -17.054 1010 HA LEU 135 HA LEU 135 6.553 -2.157 -19.683 1011 HB2 LEU 135 2HB LEU 135 4.850 -1.012 -18.319 1012 HB3 LEU 135 3HB LEU 135 6.073 0.079 -17.654 1013 HG LEU 135 HG LEU 135 6.464 1.001 -19.971 1014 HD11 LEU 135 1HD1 LEU 135 4.807 0.483 -21.726 1015 HD12 LEU 135 2HD1 LEU 135 5.737 -0.977 -21.246 1016 HD13 LEU 135 3HD1 LEU 135 4.056 -0.748 -20.656 1017 HD21 LEU 135 3HD2 LEU 135 4.944 2.098 -18.366 1018 HD22 LEU 135 1HD2 LEU 135 4.341 2.268 -20.050 1019 HD23 LEU 135 2HD2 LEU 135 3.586 1.072 -18.942 1020 H GLU 136 H GLU 136 8.193 -1.727 -21.089 1021 HA GLU 136 HA GLU 136 10.737 -1.177 -20.453 1022 HB2 GLU 136 2HB GLU 136 9.868 -1.740 -22.717 1023 HB3 GLU 136 3HB GLU 136 9.210 -0.106 -22.875 1024 HG2 GLU 136 2HG GLU 136 11.490 0.852 -22.770 1025 HG3 GLU 136 3HG GLU 136 12.178 -0.758 -22.524 1026 H HIS 137 H HIS 137 8.076 1.258 -20.698 1027 HA HIS 137 HA HIS 137 9.398 3.545 -21.152 1028 HB2 HIS 137 2HB HIS 137 6.952 3.320 -20.735 1029 HB3 HIS 137 3HB HIS 137 7.262 3.087 -19.010 1030 HD2 HIS 137 HD2 HIS 137 6.809 5.966 -21.547 1031 HE1 HIS 137 HE1 HIS 137 8.091 7.713 -17.856 1032 H HIS 138 H HIS 138 10.649 5.100 -20.001 1033 HA HIS 138 HA HIS 138 11.514 4.418 -17.318 1034 HB2 HIS 138 2HB HIS 138 12.961 2.972 -18.662 1035 HB3 HIS 138 3HB HIS 138 13.365 4.308 -19.748 1036 HD2 HIS 138 HD2 HIS 138 15.611 5.711 -19.007 1037 HE1 HIS 138 HE1 HIS 138 15.901 4.233 -15.000 Start of MODEL 4 1 H1 MET 1 1H MET 1 -1.616 14.260 14.128 2 H2 MET 1 2H MET 1 -2.702 13.417 13.247 3 H3 MET 1 3H MET 1 -1.360 12.678 13.813 4 HA MET 1 HA MET 1 -1.331 14.905 11.933 5 HB2 MET 1 2HB MET 1 0.790 12.901 12.838 6 HB3 MET 1 3HB MET 1 1.005 14.059 11.520 7 HG2 MET 1 2HG MET 1 0.464 14.774 14.441 8 HG3 MET 1 3HG MET 1 2.042 14.821 13.644 9 HE1 MET 1 3HE MET 1 1.537 15.999 10.797 10 HE2 MET 1 1HE MET 1 1.691 17.762 11.099 11 HE3 MET 1 2HE MET 1 2.804 16.611 11.913 12 H ASN 2 H ASN 2 -2.077 14.461 9.899 13 HA ASN 2 HA ASN 2 -2.137 11.647 9.082 14 HB2 ASN 2 2HB ASN 2 -3.435 14.139 7.915 15 HB3 ASN 2 3HB ASN 2 -3.521 12.528 7.188 16 HD21 ASN 2 1HD2 ASN 2 -5.105 14.683 9.064 17 HD22 ASN 2 2HD2 ASN 2 -6.213 13.609 9.850 18 H ILE 3 H ILE 3 -0.683 10.844 7.606 19 HA ILE 3 HA ILE 3 0.980 12.842 6.238 20 HB ILE 3 HB ILE 3 1.560 9.905 6.888 21 HG12 ILE 3 2HG1 ILE 3 1.547 11.322 8.896 22 HG13 ILE 3 3HG1 ILE 3 3.183 10.779 8.503 23 HG21 ILE 3 1HG2 ILE 3 3.850 10.428 6.119 24 HG22 ILE 3 2HG2 ILE 3 2.640 10.640 4.809 25 HG23 ILE 3 3HG2 ILE 3 3.313 12.076 5.652 26 HD11 ILE 3 3HD1 ILE 3 2.020 13.530 7.876 27 HD12 ILE 3 1HD1 ILE 3 3.176 13.134 9.193 28 HD13 ILE 3 2HD1 ILE 3 3.682 12.978 7.476 29 H THR 4 H THR 4 1.008 12.886 3.983 30 HA THR 4 HA THR 4 -0.554 10.763 2.680 31 HB THR 4 HB THR 4 -0.412 13.741 1.975 32 HG1 THR 4 HG1 THR 4 -2.692 13.648 2.592 33 HG21 THR 4 3HG2 THR 4 -2.018 11.448 0.739 34 HG22 THR 4 1HG2 THR 4 -2.157 13.185 0.302 35 HG23 THR 4 2HG2 THR 4 -0.628 12.298 -0.018 36 H VAL 5 H VAL 5 0.361 9.810 0.835 37 HA VAL 5 HA VAL 5 2.654 11.221 -0.331 38 HB VAL 5 HB VAL 5 3.703 8.986 -0.760 39 HG11 VAL 5 1HG1 VAL 5 4.510 8.617 1.553 40 HG12 VAL 5 2HG1 VAL 5 4.436 10.363 1.140 41 HG13 VAL 5 3HG1 VAL 5 3.166 9.631 2.178 42 HG21 VAL 5 3HG2 VAL 5 1.680 7.598 -0.623 43 HG22 VAL 5 1HG2 VAL 5 2.925 7.027 0.538 44 HG23 VAL 5 2HG2 VAL 5 1.520 7.979 1.124 45 H GLU 6 H GLU 6 3.065 10.575 -2.660 46 HA GLU 6 HA GLU 6 0.782 9.373 -3.998 47 HB2 GLU 6 2HB GLU 6 0.048 11.694 -3.714 48 HB3 GLU 6 3HB GLU 6 1.590 12.300 -4.333 49 HG2 GLU 6 2HG GLU 6 1.108 11.350 -6.561 50 HG3 GLU 6 3HG GLU 6 -0.391 10.630 -5.959 51 H THR 7 H THR 7 1.338 8.518 -6.036 52 HA THR 7 HA THR 7 3.851 9.370 -7.203 53 HB THR 7 HB THR 7 4.406 7.463 -5.632 54 HG1 THR 7 HG1 THR 7 4.921 6.168 -7.997 55 HG21 THR 7 3HG2 THR 7 2.643 5.880 -7.567 56 HG22 THR 7 1HG2 THR 7 3.687 5.182 -6.283 57 HG23 THR 7 2HG2 THR 7 2.286 6.214 -5.839 58 H THR 8 H THR 8 3.852 9.149 -9.487 59 HA THR 8 HA THR 8 1.383 8.000 -10.581 60 HB THR 8 HB THR 8 3.345 10.044 -11.751 61 HG1 THR 8 HG1 THR 8 1.459 11.449 -11.518 62 HG21 THR 8 3HG2 THR 8 0.725 8.926 -12.867 63 HG22 THR 8 1HG2 THR 8 1.692 10.258 -13.586 64 HG23 THR 8 2HG2 THR 8 2.373 8.598 -13.501 65 H VAL 9 H VAL 9 1.504 6.207 -11.932 66 HA VAL 9 HA VAL 9 4.235 5.336 -12.588 67 HB VAL 9 HB VAL 9 3.372 3.009 -12.408 68 HG11 VAL 9 1HG1 VAL 9 3.161 2.944 -9.941 69 HG12 VAL 9 2HG1 VAL 9 4.468 4.056 -10.471 70 HG13 VAL 9 3HG1 VAL 9 2.893 4.720 -9.922 71 HG21 VAL 9 3HG2 VAL 9 1.010 3.449 -12.925 72 HG22 VAL 9 1HG2 VAL 9 1.172 2.595 -11.353 73 HG23 VAL 9 2HG2 VAL 9 0.829 4.357 -11.386 74 H ALA 10 H ALA 10 4.580 4.370 -14.679 75 HA ALA 10 HA ALA 10 2.507 5.013 -16.626 76 HB1 ALA 10 3HB ALA 10 5.368 3.965 -16.902 77 HB2 ALA 10 1HB ALA 10 4.291 4.442 -18.257 78 HB3 ALA 10 2HB ALA 10 4.840 5.673 -17.070 79 H ALA 11 H ALA 11 1.031 3.272 -15.644 80 HA ALA 11 HA ALA 11 1.464 0.830 -17.171 81 HB1 ALA 11 3HB ALA 11 1.036 0.867 -14.143 82 HB2 ALA 11 1HB ALA 11 0.983 -0.590 -15.193 83 HB3 ALA 11 2HB ALA 11 2.517 0.325 -15.003 84 HA PRO 12 HA PRO 12 -2.914 1.087 -17.632 85 HB2 PRO 12 2HB PRO 12 -3.627 -1.591 -17.760 86 HB3 PRO 12 3HB PRO 12 -2.717 -0.832 -19.073 87 HG2 PRO 12 2HG PRO 12 -1.684 -2.516 -16.763 88 HG3 PRO 12 3HG PRO 12 -1.276 -2.622 -18.480 89 HD2 PRO 12 2HD PRO 12 0.367 -1.334 -16.737 90 HD3 PRO 12 3HD PRO 12 0.173 -0.749 -18.394 91 H VAL 13 H VAL 13 -4.928 1.042 -16.606 92 HA VAL 13 HA VAL 13 -4.560 1.420 -13.875 93 HB VAL 13 HB VAL 13 -7.057 1.659 -13.814 94 HG11 VAL 13 1HG1 VAL 13 -7.181 3.567 -15.385 95 HG12 VAL 13 2HG1 VAL 13 -5.635 3.553 -14.471 96 HG13 VAL 13 3HG1 VAL 13 -5.672 3.005 -16.181 97 HG21 VAL 13 3HG2 VAL 13 -7.631 -0.119 -15.412 98 HG22 VAL 13 1HG2 VAL 13 -8.330 1.453 -15.927 99 HG23 VAL 13 2HG2 VAL 13 -6.863 0.811 -16.742 100 H GLY 14 H GLY 14 -5.599 -1.460 -15.753 101 HA2 GLY 14 2HA GLY 14 -6.822 -2.874 -13.658 102 HA3 GLY 14 3HA GLY 14 -6.067 -3.554 -15.106 103 H LYS 15 H LYS 15 -3.338 -2.749 -14.765 104 HA LYS 15 HA LYS 15 -2.532 -4.676 -12.817 105 HB2 LYS 15 2HB LYS 15 -1.034 -2.682 -14.580 106 HB3 LYS 15 3HB LYS 15 -0.222 -3.815 -13.493 107 HG2 LYS 15 2HG LYS 15 -1.421 -5.709 -14.728 108 HG3 LYS 15 3HG LYS 15 -1.975 -4.504 -15.898 109 HD2 LYS 15 2HD LYS 15 0.498 -3.834 -16.199 110 HD3 LYS 15 3HD LYS 15 0.917 -5.263 -15.244 111 HE2 LYS 15 2HE LYS 15 -0.488 -6.641 -16.908 112 HE3 LYS 15 3HE LYS 15 -0.579 -5.187 -17.911 113 HZ1 LYS 15 3HZ LYS 15 1.852 -6.658 -17.141 114 HZ2 LYS 15 1HZ LYS 15 1.241 -6.455 -18.642 115 HZ3 LYS 15 2HZ LYS 15 1.896 -5.187 -17.848 116 H VAL 16 H VAL 16 -2.703 -1.066 -12.958 117 HA VAL 16 HA VAL 16 -1.010 -0.686 -10.732 118 HB VAL 16 HB VAL 16 -3.134 1.089 -12.035 119 HG11 VAL 16 1HG1 VAL 16 -2.055 2.964 -10.829 120 HG12 VAL 16 2HG1 VAL 16 -2.776 1.768 -9.699 121 HG13 VAL 16 3HG1 VAL 16 -1.001 1.794 -9.965 122 HG21 VAL 16 3HG2 VAL 16 -1.244 0.515 -13.498 123 HG22 VAL 16 1HG2 VAL 16 -1.174 2.243 -13.015 124 HG23 VAL 16 2HG2 VAL 16 -0.086 1.047 -12.233 125 H TRP 17 H TRP 17 -4.642 -0.772 -11.130 126 HA TRP 17 HA TRP 17 -5.195 0.034 -8.499 127 HB2 TRP 17 2HB TRP 17 -6.767 -1.574 -10.567 128 HB3 TRP 17 3HB TRP 17 -7.448 -1.069 -9.015 129 HD1 TRP 17 HD1 TRP 17 -5.470 1.819 -9.627 130 HE1 TRP 17 HE1 TRP 17 -6.720 3.654 -10.954 131 HE3 TRP 17 HE3 TRP 17 -9.319 -1.024 -11.503 132 HZ2 TRP 17 HZ2 TRP 17 -9.013 3.877 -12.567 133 HZ3 TRP 17 HZ3 TRP 17 -11.019 0.080 -12.950 134 HH2 TRP 17 HH2 TRP 17 -10.873 2.466 -13.472 135 H ARG 18 H ARG 18 -4.714 -3.254 -9.976 136 HA ARG 18 HA ARG 18 -5.647 -4.612 -7.675 137 HB2 ARG 18 2HB ARG 18 -4.040 -5.473 -10.084 138 HB3 ARG 18 3HB ARG 18 -4.447 -6.575 -8.762 139 HG2 ARG 18 2HG ARG 18 -6.855 -6.174 -9.144 140 HG3 ARG 18 3HG ARG 18 -6.474 -5.025 -10.433 141 HD2 ARG 18 2HD ARG 18 -5.409 -6.806 -11.724 142 HD3 ARG 18 3HD ARG 18 -5.747 -7.961 -10.428 143 HE ARG 18 HE ARG 18 -8.202 -6.813 -11.187 144 HH11 ARG 18 1HH1 ARG 18 -5.708 -8.809 -12.649 145 HH12 ARG 18 2HH1 ARG 18 -6.819 -9.637 -13.688 146 HH21 ARG 18 1HH2 ARG 18 -9.613 -7.873 -12.533 147 HH22 ARG 18 2HH2 ARG 18 -9.060 -9.100 -13.623 148 H ALA 19 H ALA 19 -2.523 -3.152 -8.555 149 HA ALA 19 HA ALA 19 -0.961 -4.959 -6.987 150 HB1 ALA 19 3HB ALA 19 -0.356 -2.206 -8.172 151 HB2 ALA 19 1HB ALA 19 0.854 -3.339 -7.481 152 HB3 ALA 19 2HB ALA 19 -0.060 -3.793 -8.959 153 H TYR 20 H TYR 20 -3.126 -2.462 -6.085 154 HA TYR 20 HA TYR 20 -1.591 -0.956 -4.310 155 HB2 TYR 20 2HB TYR 20 -3.602 0.018 -3.719 156 HB3 TYR 20 3HB TYR 20 -4.035 -0.674 -5.288 157 HD1 TYR 20 HD1 TYR 20 -5.107 -3.069 -5.250 158 HD2 TYR 20 HD2 TYR 20 -4.887 -0.497 -1.821 159 HE1 TYR 20 HE1 TYR 20 -6.951 -4.333 -4.188 160 HE2 TYR 20 HE2 TYR 20 -6.728 -1.762 -0.750 161 HH TYR 20 HH TYR 20 -7.853 -3.805 -0.826 162 H THR 21 H THR 21 -3.122 -4.185 -3.944 163 HA THR 21 HA THR 21 -1.472 -4.416 -1.556 164 HB THR 21 HB THR 21 -4.349 -5.458 -1.663 165 HG1 THR 21 HG1 THR 21 -4.673 -3.317 -1.311 166 HG21 THR 21 3HG2 THR 21 -2.288 -5.288 0.591 167 HG22 THR 21 1HG2 THR 21 -3.975 -5.884 0.749 168 HG23 THR 21 2HG2 THR 21 -2.798 -6.780 -0.269 169 H THR 22 H THR 22 -0.255 -5.459 -3.549 170 HA THR 22 HA THR 22 -1.153 -8.243 -3.746 171 HB THR 22 HB THR 22 0.902 -6.662 -5.378 172 HG1 THR 22 HG1 THR 22 -0.736 -7.207 -7.085 173 HG21 THR 22 3HG2 THR 22 -0.053 -9.554 -5.652 174 HG22 THR 22 1HG2 THR 22 1.029 -8.689 -6.796 175 HG23 THR 22 2HG2 THR 22 1.577 -9.021 -5.118 176 HA PRO 23 HA PRO 23 1.939 -9.231 -0.725 177 HB2 PRO 23 2HB PRO 23 2.066 -11.987 -1.381 178 HB3 PRO 23 3HB PRO 23 0.789 -11.307 -0.363 179 HG2 PRO 23 2HG PRO 23 0.749 -11.907 -3.333 180 HG3 PRO 23 3HG PRO 23 -0.498 -12.218 -2.117 181 HD2 PRO 23 2HD PRO 23 -0.742 -10.099 -3.770 182 HD3 PRO 23 3HD PRO 23 -1.210 -9.936 -2.072 183 H GLU 24 H GLU 24 2.346 -10.341 -4.140 184 HA GLU 24 HA GLU 24 5.100 -10.840 -3.919 185 HB2 GLU 24 2HB GLU 24 3.312 -9.947 -6.224 186 HB3 GLU 24 3HB GLU 24 5.029 -10.317 -6.427 187 HG2 GLU 24 2HG GLU 24 2.879 -12.257 -5.439 188 HG3 GLU 24 3HG GLU 24 3.605 -12.238 -7.052 189 H ASP 25 H ASP 25 3.224 -7.789 -4.503 190 HA ASP 25 HA ASP 25 5.556 -6.200 -4.882 191 HB2 ASP 25 2HB ASP 25 3.246 -5.594 -5.642 192 HB3 ASP 25 3HB ASP 25 2.739 -5.454 -3.953 193 H ILE 26 H ILE 26 3.555 -7.155 -2.009 194 HA ILE 26 HA ILE 26 4.731 -5.353 -0.234 195 HB ILE 26 HB ILE 26 3.409 -8.082 0.137 196 HG12 ILE 26 2HG1 ILE 26 2.455 -5.273 0.859 197 HG13 ILE 26 3HG1 ILE 26 2.083 -6.066 -0.677 198 HG21 ILE 26 1HG2 ILE 26 3.303 -7.565 2.553 199 HG22 ILE 26 2HG2 ILE 26 4.997 -7.737 1.980 200 HG23 ILE 26 3HG2 ILE 26 4.312 -6.104 2.281 201 HD11 ILE 26 3HD1 ILE 26 1.321 -7.100 2.092 202 HD12 ILE 26 1HD1 ILE 26 0.227 -6.303 0.912 203 HD13 ILE 26 2HD1 ILE 26 0.943 -7.905 0.532 204 H LYS 27 H LYS 27 5.797 -8.565 -1.463 205 HA LYS 27 HA LYS 27 7.802 -9.063 0.418 206 HB2 LYS 27 2HB LYS 27 7.456 -9.735 -2.532 207 HB3 LYS 27 3HB LYS 27 8.864 -10.275 -1.608 208 HG2 LYS 27 2HG LYS 27 7.406 -11.514 -0.045 209 HG3 LYS 27 3HG LYS 27 5.964 -10.910 -0.871 210 HD2 LYS 27 2HD LYS 27 6.662 -12.049 -2.970 211 HD3 LYS 27 3HD LYS 27 8.145 -12.613 -2.189 212 HE2 LYS 27 2HE LYS 27 6.830 -13.925 -0.553 213 HE3 LYS 27 3HE LYS 27 5.319 -13.298 -1.225 214 HZ1 LYS 27 3HZ LYS 27 7.266 -14.869 -2.786 215 HZ2 LYS 27 1HZ LYS 27 5.957 -15.508 -2.049 216 HZ3 LYS 27 2HZ LYS 27 5.767 -14.424 -3.255 217 H GLN 28 H GLN 28 7.617 -6.689 -2.243 218 HA GLN 28 HA GLN 28 10.449 -6.143 -2.135 219 HB2 GLN 28 2HB GLN 28 8.105 -4.601 -3.358 220 HB3 GLN 28 3HB GLN 28 9.816 -4.228 -3.605 221 HG2 GLN 28 2HG GLN 28 8.380 -6.781 -4.467 222 HG3 GLN 28 3HG GLN 28 8.883 -5.453 -5.521 223 HE21 GLN 28 1HE2 GLN 28 9.643 -8.473 -4.985 224 HE22 GLN 28 2HE2 GLN 28 11.372 -8.453 -5.093 225 H TRP 29 H TRP 29 7.646 -5.330 -0.211 226 HA TRP 29 HA TRP 29 8.853 -2.848 0.733 227 HB2 TRP 29 2HB TRP 29 6.294 -4.341 1.498 228 HB3 TRP 29 3HB TRP 29 6.796 -2.785 2.171 229 HD1 TRP 29 HD1 TRP 29 7.812 -2.456 -1.291 230 HE1 TRP 29 HE1 TRP 29 6.002 -1.307 -2.738 231 HE3 TRP 29 HE3 TRP 29 3.811 -2.941 1.897 232 HZ2 TRP 29 HZ2 TRP 29 3.260 -0.693 -2.563 233 HZ3 TRP 29 HZ3 TRP 29 1.602 -2.046 1.180 234 HH2 TRP 29 HH2 TRP 29 1.328 -0.954 -0.993 235 H ASN 30 H ASN 30 10.251 -5.529 1.135 236 HA ASN 30 HA ASN 30 9.584 -6.546 3.664 237 HB2 ASN 30 2HB ASN 30 11.612 -7.843 3.468 238 HB3 ASN 30 3HB ASN 30 10.755 -7.826 1.921 239 HD21 ASN 30 1HD2 ASN 30 12.039 -7.687 0.271 240 HD22 ASN 30 2HD2 ASN 30 13.479 -6.733 0.152 241 H ALA 31 H ALA 31 11.433 -6.728 5.466 242 HA ALA 31 HA ALA 31 11.615 -3.993 6.368 243 HB1 ALA 31 3HB ALA 31 12.358 -6.660 7.666 244 HB2 ALA 31 1HB ALA 31 12.325 -5.065 8.492 245 HB3 ALA 31 2HB ALA 31 10.805 -5.779 7.856 246 H ALA 32 H ALA 32 13.979 -6.744 5.838 247 HA ALA 32 HA ALA 32 16.110 -4.755 6.246 248 HB1 ALA 32 3HB ALA 32 16.100 -7.808 6.442 249 HB2 ALA 32 1HB ALA 32 17.520 -6.745 6.725 250 HB3 ALA 32 2HB ALA 32 16.097 -6.653 7.818 251 H SER 33 H SER 33 15.600 -7.834 4.315 252 HA SER 33 HA SER 33 16.448 -6.504 1.910 253 HB2 SER 33 2HB SER 33 18.639 -6.783 2.886 254 HB3 SER 33 3HB SER 33 18.279 -8.441 3.387 255 HG SER 33 HG SER 33 19.554 -8.356 1.459 256 H ASP 34 H ASP 34 16.226 -7.909 0.012 257 HA ASP 34 HA ASP 34 14.209 -9.906 0.389 258 HB2 ASP 34 2HB ASP 34 14.321 -10.108 -2.047 259 HB3 ASP 34 3HB ASP 34 14.250 -8.406 -1.571 260 H ASP 35 H ASP 35 17.506 -10.019 1.017 261 HA ASP 35 HA ASP 35 17.674 -12.829 0.132 262 HB2 ASP 35 2HB ASP 35 19.851 -10.814 0.875 263 HB3 ASP 35 3HB ASP 35 20.138 -12.515 0.483 264 H TRP 36 H TRP 36 18.022 -10.548 2.927 265 HA TRP 36 HA TRP 36 18.752 -12.807 4.632 266 HB2 TRP 36 2HB TRP 36 18.636 -9.783 5.072 267 HB3 TRP 36 3HB TRP 36 19.053 -10.948 6.335 268 HD1 TRP 36 HD1 TRP 36 20.503 -9.167 3.286 269 HE1 TRP 36 HE1 TRP 36 23.017 -9.736 3.075 270 HE3 TRP 36 HE3 TRP 36 20.779 -12.904 6.803 271 HZ2 TRP 36 HZ2 TRP 36 24.868 -11.510 4.236 272 HZ3 TRP 36 HZ3 TRP 36 22.976 -14.004 7.203 273 HH2 TRP 36 HH2 TRP 36 24.972 -13.325 5.960 274 H HIS 37 H HIS 37 15.918 -11.029 3.635 275 HA HIS 37 HA HIS 37 14.573 -11.757 6.158 276 HB2 HIS 37 2HB HIS 37 15.005 -9.300 5.969 277 HB3 HIS 37 3HB HIS 37 14.145 -9.273 4.424 278 HD2 HIS 37 HD2 HIS 37 13.356 -9.482 8.268 279 HE1 HIS 37 HE1 HIS 37 9.660 -9.156 6.134 280 H THR 38 H THR 38 12.543 -12.750 5.968 281 HA THR 38 HA THR 38 11.715 -13.270 3.201 282 HB THR 38 HB THR 38 11.201 -14.843 5.778 283 HG1 THR 38 HG1 THR 38 12.532 -16.432 4.644 284 HG21 THR 38 3HG2 THR 38 10.379 -15.425 2.891 285 HG22 THR 38 1HG2 THR 38 10.164 -16.530 4.290 286 HG23 THR 38 2HG2 THR 38 9.279 -14.968 4.236 287 H THR 39 H THR 39 9.662 -12.626 2.520 288 HA THR 39 HA THR 39 7.910 -11.567 4.630 289 HB THR 39 HB THR 39 8.365 -10.477 1.802 290 HG1 THR 39 HG1 THR 39 8.782 -8.571 3.563 291 HG21 THR 39 3HG2 THR 39 6.523 -9.517 4.046 292 HG22 THR 39 1HG2 THR 39 6.809 -8.675 2.486 293 HG23 THR 39 2HG2 THR 39 6.008 -10.282 2.505 294 H ALA 40 H ALA 40 5.814 -12.388 4.625 295 HA ALA 40 HA ALA 40 4.811 -13.428 2.063 296 HB1 ALA 40 3HB ALA 40 4.540 -14.740 4.813 297 HB2 ALA 40 1HB ALA 40 3.710 -15.272 3.312 298 HB3 ALA 40 2HB ALA 40 5.500 -15.361 3.428 299 H ALA 41 H ALA 41 2.622 -12.977 1.638 300 HA ALA 41 HA ALA 41 1.131 -11.616 3.765 301 HB1 ALA 41 3HB ALA 41 1.644 -10.508 0.962 302 HB2 ALA 41 1HB ALA 41 0.506 -9.820 2.169 303 HB3 ALA 41 2HB ALA 41 2.270 -9.834 2.505 304 H THR 42 H THR 42 -1.083 -12.053 3.726 305 HA THR 42 HA THR 42 -2.100 -13.196 1.223 306 HB THR 42 HB THR 42 -2.815 -14.050 4.077 307 HG1 THR 42 HG1 THR 42 -1.932 -16.104 3.306 308 HG21 THR 42 3HG2 THR 42 -3.879 -15.007 1.374 309 HG22 THR 42 1HG2 THR 42 -4.275 -15.722 2.973 310 HG23 THR 42 2HG2 THR 42 -4.784 -14.043 2.589 311 H VAL 43 H VAL 43 -3.996 -12.227 0.465 312 HA VAL 43 HA VAL 43 -5.363 -10.425 2.327 313 HB VAL 43 HB VAL 43 -3.788 -9.015 1.089 314 HG11 VAL 43 1HG1 VAL 43 -3.835 -8.881 -1.379 315 HG12 VAL 43 2HG1 VAL 43 -3.357 -10.514 -0.807 316 HG13 VAL 43 3HG1 VAL 43 -5.019 -10.230 -1.426 317 HG21 VAL 43 3HG2 VAL 43 -6.024 -8.098 1.522 318 HG22 VAL 43 1HG2 VAL 43 -5.373 -7.488 -0.037 319 HG23 VAL 43 2HG2 VAL 43 -6.619 -8.781 -0.029 320 H ASP 44 H ASP 44 -7.620 -10.549 2.137 321 HA ASP 44 HA ASP 44 -8.691 -11.739 -0.319 322 HB2 ASP 44 2HB ASP 44 -9.514 -12.552 1.887 323 HB3 ASP 44 3HB ASP 44 -10.022 -10.910 2.307 324 H LEU 45 H LEU 45 -9.004 -10.312 -1.997 325 HA LEU 45 HA LEU 45 -9.020 -7.491 -1.389 326 HB2 LEU 45 2HB LEU 45 -9.109 -9.120 -3.974 327 HB3 LEU 45 3HB LEU 45 -9.114 -7.351 -3.934 328 HG LEU 45 HG LEU 45 -6.881 -9.120 -2.801 329 HD11 LEU 45 1HD1 LEU 45 -5.586 -8.320 -4.743 330 HD12 LEU 45 2HD1 LEU 45 -7.034 -9.250 -5.255 331 HD13 LEU 45 3HD1 LEU 45 -7.036 -7.457 -5.358 332 HD21 LEU 45 3HD2 LEU 45 -7.137 -6.962 -1.631 333 HD22 LEU 45 1HD2 LEU 45 -5.648 -6.983 -2.636 334 HD23 LEU 45 2HD2 LEU 45 -7.104 -6.099 -3.206 335 H ARG 46 H ARG 46 -11.041 -7.069 -0.326 336 HA ARG 46 HA ARG 46 -13.121 -6.493 -2.155 337 HB2 ARG 46 2HB ARG 46 -14.882 -7.870 -1.298 338 HB3 ARG 46 3HB ARG 46 -13.588 -8.868 -1.975 339 HG2 ARG 46 2HG ARG 46 -12.742 -9.317 0.324 340 HG3 ARG 46 3HG ARG 46 -14.053 -8.335 0.992 341 HD2 ARG 46 2HD ARG 46 -15.710 -9.858 0.175 342 HD3 ARG 46 3HD ARG 46 -14.501 -10.772 -0.735 343 HE ARG 46 HE ARG 46 -13.824 -11.828 1.226 344 HH11 ARG 46 1HH1 ARG 46 -16.061 -9.237 2.024 345 HH12 ARG 46 2HH1 ARG 46 -16.321 -9.804 3.639 346 HH21 ARG 46 1HH2 ARG 46 -14.160 -12.537 3.302 347 HH22 ARG 46 2HH2 ARG 46 -15.230 -11.698 4.375 348 H GLU 47 H GLU 47 -14.866 -5.211 -1.116 349 HA GLU 47 HA GLU 47 -14.089 -3.710 1.116 350 HB2 GLU 47 2HB GLU 47 -15.773 -3.054 -0.621 351 HB3 GLU 47 3HB GLU 47 -16.882 -4.277 0.012 352 HG2 GLU 47 2HG GLU 47 -17.108 -3.106 2.122 353 HG3 GLU 47 3HG GLU 47 -15.784 -2.003 1.726 354 H GLY 48 H GLY 48 -14.054 -4.193 3.284 355 HA2 GLY 48 2HA GLY 48 -14.857 -5.107 5.236 356 HA3 GLY 48 3HA GLY 48 -15.972 -6.129 4.319 357 H GLY 49 H GLY 49 -13.144 -6.561 2.613 358 HA2 GLY 49 2HA GLY 49 -12.821 -9.172 3.733 359 HA3 GLY 49 3HA GLY 49 -11.923 -8.444 2.395 360 H ALA 50 H ALA 50 -10.834 -10.095 4.616 361 HA ALA 50 HA ALA 50 -9.359 -8.092 6.177 362 HB1 ALA 50 3HB ALA 50 -9.633 -11.128 6.449 363 HB2 ALA 50 1HB ALA 50 -8.710 -10.055 7.556 364 HB3 ALA 50 2HB ALA 50 -10.494 -9.890 7.425 365 H PHE 51 H PHE 51 -7.033 -8.102 6.275 366 HA PHE 51 HA PHE 51 -5.683 -9.974 4.473 367 HB2 PHE 51 2HB PHE 51 -4.295 -8.147 3.562 368 HB3 PHE 51 3HB PHE 51 -5.999 -7.956 3.126 369 HD1 PHE 51 HD1 PHE 51 -3.228 -6.630 5.180 370 HD2 PHE 51 HD2 PHE 51 -7.334 -6.128 4.020 371 HE1 PHE 51 HE1 PHE 51 -3.215 -4.339 6.118 372 HE2 PHE 51 HE2 PHE 51 -7.319 -3.837 4.956 373 HZ PHE 51 HZ PHE 51 -5.257 -2.938 6.007 374 H SER 52 H SER 52 -3.340 -10.190 4.973 375 HA SER 52 HA SER 52 -2.435 -9.027 7.467 376 HB2 SER 52 2HB SER 52 -3.822 -10.878 8.282 377 HB3 SER 52 3HB SER 52 -3.031 -12.006 7.173 378 HG SER 52 HG SER 52 -1.449 -10.486 9.000 379 H SER 53 H SER 53 -0.154 -9.154 7.699 380 HA SER 53 HA SER 53 1.245 -10.626 5.564 381 HB2 SER 53 2HB SER 53 1.082 -8.263 4.899 382 HB3 SER 53 3HB SER 53 1.709 -7.749 6.471 383 HG SER 53 HG SER 53 3.345 -7.793 4.836 384 H ARG 54 H ARG 54 2.834 -11.936 6.361 385 HA ARG 54 HA ARG 54 3.724 -11.364 9.109 386 HB2 ARG 54 2HB ARG 54 2.495 -13.476 8.821 387 HB3 ARG 54 3HB ARG 54 3.689 -14.006 7.629 388 HG2 ARG 54 2HG ARG 54 5.470 -13.834 9.384 389 HG3 ARG 54 3HG ARG 54 4.231 -13.391 10.565 390 HD2 ARG 54 2HD ARG 54 3.123 -15.528 10.259 391 HD3 ARG 54 3HD ARG 54 4.275 -15.973 8.992 392 HE ARG 54 HE ARG 54 5.899 -16.397 10.617 393 HH11 ARG 54 1HH1 ARG 54 3.056 -14.989 12.129 394 HH12 ARG 54 2HH1 ARG 54 3.534 -15.456 13.727 395 HH21 ARG 54 1HH2 ARG 54 6.505 -16.975 12.671 396 HH22 ARG 54 2HH2 ARG 54 5.514 -16.595 14.040 397 H MET 55 H MET 55 5.786 -10.629 9.351 398 HA MET 55 HA MET 55 7.671 -11.237 7.158 399 HB2 MET 55 2HB MET 55 7.480 -8.894 9.106 400 HB3 MET 55 3HB MET 55 8.878 -9.191 8.066 401 HG2 MET 55 2HG MET 55 7.343 -9.048 6.059 402 HG3 MET 55 3HG MET 55 6.024 -8.605 7.151 403 HE1 MET 55 3HE MET 55 5.711 -6.419 5.582 404 HE2 MET 55 1HE MET 55 7.022 -5.230 5.277 405 HE3 MET 55 2HE MET 55 7.142 -6.891 4.604 406 H GLU 56 H GLU 56 9.589 -12.292 7.640 407 HA GLU 56 HA GLU 56 10.354 -12.436 10.470 408 HB2 GLU 56 2HB GLU 56 10.049 -14.782 8.538 409 HB3 GLU 56 3HB GLU 56 10.966 -14.869 10.047 410 HG2 GLU 56 2HG GLU 56 8.877 -14.266 11.316 411 HG3 GLU 56 3HG GLU 56 7.976 -14.269 9.794 412 H ALA 57 H ALA 57 12.631 -12.487 10.814 413 HA ALA 57 HA ALA 57 14.292 -12.105 8.459 414 HB1 ALA 57 3HB ALA 57 14.919 -12.223 11.449 415 HB2 ALA 57 1HB ALA 57 16.082 -11.796 10.150 416 HB3 ALA 57 2HB ALA 57 14.668 -10.738 10.472 417 H LYS 58 H LYS 58 15.756 -13.590 7.608 418 HA LYS 58 HA LYS 58 15.219 -16.316 8.078 419 HB2 LYS 58 2HB LYS 58 17.452 -14.827 6.626 420 HB3 LYS 58 3HB LYS 58 17.333 -16.592 6.654 421 HG2 LYS 58 2HG LYS 58 15.044 -16.418 5.612 422 HG3 LYS 58 3HG LYS 58 15.249 -14.665 5.515 423 HD2 LYS 58 2HD LYS 58 17.335 -15.017 4.132 424 HD3 LYS 58 3HD LYS 58 17.045 -16.761 4.180 425 HE2 LYS 58 2HE LYS 58 14.847 -16.448 3.060 426 HE3 LYS 58 3HE LYS 58 15.080 -14.695 3.057 427 HZ1 LYS 58 3HZ LYS 58 16.720 -16.677 1.618 428 HZ2 LYS 58 1HZ LYS 58 15.710 -15.575 0.963 429 HZ3 LYS 58 2HZ LYS 58 17.082 -15.087 1.700 430 H ASP 59 H ASP 59 17.443 -14.007 9.612 431 HA ASP 59 HA ASP 59 19.025 -16.150 10.774 432 HB2 ASP 59 2HB ASP 59 20.277 -14.343 11.812 433 HB3 ASP 59 3HB ASP 59 20.068 -14.005 10.088 434 H GLY 60 H GLY 60 15.920 -14.878 11.356 435 HA2 GLY 60 2HA GLY 60 14.506 -15.474 12.997 436 HA3 GLY 60 3HA GLY 60 15.795 -16.445 13.720 437 H SER 61 H SER 61 16.518 -13.022 13.135 438 HA SER 61 HA SER 61 16.932 -12.737 15.983 439 HB2 SER 61 2HB SER 61 18.023 -10.663 15.356 440 HB3 SER 61 3HB SER 61 18.579 -11.961 14.292 441 HG SER 61 HG SER 61 17.396 -11.159 12.612 442 H MET 62 H MET 62 14.460 -11.847 13.597 443 HA MET 62 HA MET 62 12.831 -10.677 15.630 444 HB2 MET 62 2HB MET 62 12.680 -8.436 14.538 445 HB3 MET 62 3HB MET 62 14.241 -8.742 15.312 446 HG2 MET 62 2HG MET 62 14.845 -7.741 13.285 447 HG3 MET 62 3HG MET 62 15.071 -9.464 12.957 448 HE1 MET 62 3HE MET 62 15.106 -8.297 10.369 449 HE2 MET 62 1HE MET 62 13.637 -7.555 9.650 450 HE3 MET 62 2HE MET 62 14.493 -6.729 10.995 451 H GLY 63 H GLY 63 10.629 -10.156 14.787 452 HA2 GLY 63 2HA GLY 63 10.267 -10.342 11.921 453 HA3 GLY 63 3HA GLY 63 9.516 -11.653 12.840 454 H PHE 64 H PHE 64 7.840 -9.987 11.368 455 HA PHE 64 HA PHE 64 6.644 -8.274 13.445 456 HB2 PHE 64 2HB PHE 64 6.914 -7.611 10.473 457 HB3 PHE 64 3HB PHE 64 6.137 -6.610 11.708 458 HD1 PHE 64 HD1 PHE 64 7.514 -5.517 13.483 459 HD2 PHE 64 HD2 PHE 64 9.304 -7.646 10.210 460 HE1 PHE 64 HE1 PHE 64 9.674 -4.402 13.940 461 HE2 PHE 64 HE2 PHE 64 11.469 -6.536 10.674 462 HZ PHE 64 HZ PHE 64 11.658 -4.914 12.540 463 H ASP 65 H ASP 65 4.323 -8.096 13.359 464 HA ASP 65 HA ASP 65 3.048 -9.918 11.420 465 HB2 ASP 65 2HB ASP 65 3.149 -10.936 13.691 466 HB3 ASP 65 3HB ASP 65 2.353 -9.509 14.369 467 H PHE 66 H PHE 66 1.752 -8.746 10.065 468 HA PHE 66 HA PHE 66 0.496 -6.328 11.200 469 HB2 PHE 66 2HB PHE 66 1.254 -6.948 8.304 470 HB3 PHE 66 3HB PHE 66 0.492 -5.462 8.885 471 HD1 PHE 66 HD1 PHE 66 1.768 -3.892 10.355 472 HD2 PHE 66 HD2 PHE 66 3.616 -7.317 8.533 473 HE1 PHE 66 HE1 PHE 66 4.001 -2.910 10.773 474 HE2 PHE 66 HE2 PHE 66 5.848 -6.334 8.953 475 HZ PHE 66 HZ PHE 66 6.045 -4.129 10.071 476 H ALA 67 H ALA 67 -1.735 -6.129 11.069 477 HA ALA 67 HA ALA 67 -3.153 -7.907 9.231 478 HB1 ALA 67 3HB ALA 67 -3.703 -7.707 12.231 479 HB2 ALA 67 1HB ALA 67 -4.739 -8.549 11.029 480 HB3 ALA 67 2HB ALA 67 -3.076 -9.145 11.357 481 H GLY 68 H GLY 68 -5.164 -7.056 8.493 482 HA2 GLY 68 2HA GLY 68 -6.253 -4.715 9.783 483 HA3 GLY 68 3HA GLY 68 -5.454 -4.374 8.243 484 H THR 69 H THR 69 -8.159 -3.820 8.386 485 HA THR 69 HA THR 69 -9.210 -5.925 6.644 486 HB THR 69 HB THR 69 -11.465 -5.611 7.645 487 HG1 THR 69 HG1 THR 69 -11.576 -4.452 9.701 488 HG21 THR 69 3HG2 THR 69 -9.307 -6.342 9.685 489 HG22 THR 69 1HG2 THR 69 -11.044 -6.788 9.784 490 HG23 THR 69 2HG2 THR 69 -10.024 -7.442 8.459 491 H TYR 70 H TYR 70 -10.699 -5.141 4.987 492 HA TYR 70 HA TYR 70 -10.306 -2.349 4.346 493 HB2 TYR 70 2HB TYR 70 -11.805 -4.641 2.987 494 HB3 TYR 70 3HB TYR 70 -11.704 -3.003 2.328 495 HD1 TYR 70 HD1 TYR 70 -9.244 -2.038 2.059 496 HD2 TYR 70 HD2 TYR 70 -10.188 -6.213 2.368 497 HE1 TYR 70 HE1 TYR 70 -7.091 -2.601 0.977 498 HE2 TYR 70 HE2 TYR 70 -8.037 -6.785 1.286 499 HH TYR 70 HH TYR 70 -5.742 -4.200 0.266 500 H THR 71 H THR 71 -11.941 -0.733 4.217 501 HA THR 71 HA THR 71 -14.392 -1.468 5.660 502 HB THR 71 HB THR 71 -14.502 0.878 6.400 503 HG1 THR 71 HG1 THR 71 -12.958 2.383 5.773 504 HG21 THR 71 3HG2 THR 71 -11.743 -0.359 6.867 505 HG22 THR 71 1HG2 THR 71 -12.511 0.913 7.877 506 HG23 THR 71 2HG2 THR 71 -13.240 -0.726 7.790 507 H LYS 72 H LYS 72 -12.967 0.044 2.749 508 HA LYS 72 HA LYS 72 -15.603 0.157 1.552 509 HB2 LYS 72 2HB LYS 72 -15.338 2.355 2.745 510 HB3 LYS 72 3HB LYS 72 -13.869 2.658 1.808 511 HG2 LYS 72 2HG LYS 72 -15.143 2.697 -0.287 512 HG3 LYS 72 3HG LYS 72 -16.620 2.207 0.553 513 HD2 LYS 72 2HD LYS 72 -16.492 4.314 1.941 514 HD3 LYS 72 3HD LYS 72 -15.067 4.809 1.016 515 HE2 LYS 72 2HE LYS 72 -16.391 4.787 -1.085 516 HE3 LYS 72 3HE LYS 72 -17.814 4.216 -0.205 517 HZ1 LYS 72 3HZ LYS 72 -16.454 6.794 0.252 518 HZ2 LYS 72 1HZ LYS 72 -17.871 6.586 -0.533 519 HZ3 LYS 72 2HZ LYS 72 -17.768 6.266 1.065 520 H VAL 73 H VAL 73 -15.452 -0.412 -0.606 521 HA VAL 73 HA VAL 73 -12.979 0.342 -1.969 522 HB VAL 73 HB VAL 73 -14.331 -2.399 -2.129 523 HG11 VAL 73 1HG1 VAL 73 -12.539 -2.960 -3.742 524 HG12 VAL 73 2HG1 VAL 73 -13.589 -1.634 -4.344 525 HG13 VAL 73 3HG1 VAL 73 -11.961 -1.261 -3.684 526 HG21 VAL 73 3HG2 VAL 73 -12.909 -2.127 -0.143 527 HG22 VAL 73 1HG2 VAL 73 -12.147 -3.244 -1.325 528 HG23 VAL 73 2HG2 VAL 73 -11.555 -1.556 -1.175 529 H VAL 74 H VAL 74 -13.410 1.387 -3.905 530 HA VAL 74 HA VAL 74 -16.113 1.002 -4.997 531 HB VAL 74 HB VAL 74 -14.507 3.601 -4.793 532 HG11 VAL 74 1HG1 VAL 74 -16.508 4.661 -5.797 533 HG12 VAL 74 2HG1 VAL 74 -15.761 3.462 -6.905 534 HG13 VAL 74 3HG1 VAL 74 -17.256 3.041 -6.004 535 HG21 VAL 74 3HG2 VAL 74 -15.527 2.932 -2.660 536 HG22 VAL 74 1HG2 VAL 74 -16.372 4.356 -3.354 537 HG23 VAL 74 2HG2 VAL 74 -17.116 2.726 -3.471 538 H GLU 75 H GLU 75 -15.638 -0.288 -6.810 539 HA GLU 75 HA GLU 75 -14.837 -0.815 -8.822 540 HB2 GLU 75 2HB GLU 75 -14.795 2.231 -9.072 541 HB3 GLU 75 3HB GLU 75 -14.704 1.098 -10.427 542 HG2 GLU 75 2HG GLU 75 -16.965 0.204 -9.804 543 HG3 GLU 75 3HG GLU 75 -17.055 1.386 -8.492 544 H ASN 76 H ASN 76 -12.768 -0.565 -6.678 545 HA ASN 76 HA ASN 76 -10.585 -0.416 -6.386 546 HB2 ASN 76 2HB ASN 76 -10.467 -0.780 -9.405 547 HB3 ASN 76 3HB ASN 76 -9.118 -0.991 -8.281 548 HD21 ASN 76 1HD2 ASN 76 -11.355 -2.573 -10.031 549 HD22 ASN 76 2HD2 ASN 76 -11.396 -4.069 -9.159 550 H LYS 77 H LYS 77 -11.905 2.124 -6.533 551 HA LYS 77 HA LYS 77 -9.847 3.743 -7.883 552 HB2 LYS 77 2HB LYS 77 -12.881 4.071 -7.921 553 HB3 LYS 77 3HB LYS 77 -11.763 5.373 -8.347 554 HG2 LYS 77 2HG LYS 77 -10.880 4.086 -10.231 555 HG3 LYS 77 3HG LYS 77 -11.808 2.659 -9.751 556 HD2 LYS 77 2HD LYS 77 -13.940 3.992 -10.072 557 HD3 LYS 77 3HD LYS 77 -12.968 5.348 -10.657 558 HE2 LYS 77 2HE LYS 77 -12.109 3.995 -12.526 559 HE3 LYS 77 3HE LYS 77 -12.916 2.551 -11.901 560 HZ1 LYS 77 3HZ LYS 77 -14.257 4.990 -12.877 561 HZ2 LYS 77 1HZ LYS 77 -14.204 3.544 -13.633 562 HZ3 LYS 77 2HZ LYS 77 -15.030 3.704 -12.234 563 H ARG 78 H ARG 78 -12.361 3.455 -5.277 564 HA ARG 78 HA ARG 78 -10.595 5.201 -3.710 565 HB2 ARG 78 2HB ARG 78 -13.622 5.286 -3.691 566 HB3 ARG 78 3HB ARG 78 -12.563 6.105 -2.536 567 HG2 ARG 78 2HG ARG 78 -12.472 6.595 -5.541 568 HG3 ARG 78 3HG ARG 78 -13.487 7.524 -4.430 569 HD2 ARG 78 2HD ARG 78 -11.465 8.189 -3.175 570 HD3 ARG 78 3HD ARG 78 -10.471 7.303 -4.340 571 HE ARG 78 HE ARG 78 -11.804 9.874 -4.747 572 HH11 ARG 78 1HH1 ARG 78 -10.074 7.197 -6.228 573 HH12 ARG 78 2HH1 ARG 78 -9.667 8.098 -7.651 574 HH21 ARG 78 1HH2 ARG 78 -11.267 11.018 -6.571 575 HH22 ARG 78 2HH2 ARG 78 -10.351 10.291 -7.849 576 H ILE 79 H ILE 79 -9.764 4.063 -2.005 577 HA ILE 79 HA ILE 79 -11.392 1.847 -0.991 578 HB ILE 79 HB ILE 79 -8.452 1.743 -1.834 579 HG12 ILE 79 2HG1 ILE 79 -10.897 0.175 -2.787 580 HG13 ILE 79 3HG1 ILE 79 -10.150 1.521 -3.658 581 HG21 ILE 79 1HG2 ILE 79 -8.506 -0.601 -1.048 582 HG22 ILE 79 2HG2 ILE 79 -8.789 0.560 0.292 583 HG23 ILE 79 3HG2 ILE 79 -10.168 -0.347 -0.417 584 HD11 ILE 79 3HD1 ILE 79 -8.798 -1.127 -2.973 585 HD12 ILE 79 1HD1 ILE 79 -9.431 -0.636 -4.580 586 HD13 ILE 79 2HD1 ILE 79 -8.040 0.240 -3.856 587 H GLU 80 H GLU 80 -11.499 1.853 1.240 588 HA GLU 80 HA GLU 80 -9.289 3.205 2.658 589 HB2 GLU 80 2HB GLU 80 -11.358 4.538 2.752 590 HB3 GLU 80 3HB GLU 80 -12.274 3.130 3.306 591 HG2 GLU 80 2HG GLU 80 -10.812 3.064 5.374 592 HG3 GLU 80 3HG GLU 80 -10.042 4.559 4.829 593 H TYR 81 H TYR 81 -8.397 2.126 4.441 594 HA TYR 81 HA TYR 81 -9.698 -0.313 5.358 595 HB2 TYR 81 2HB TYR 81 -7.673 -1.667 4.971 596 HB3 TYR 81 3HB TYR 81 -8.378 -1.103 3.450 597 HD1 TYR 81 HD1 TYR 81 -7.242 0.626 2.099 598 HD2 TYR 81 HD2 TYR 81 -5.493 -0.861 5.724 599 HE1 TYR 81 HE1 TYR 81 -5.062 1.595 1.440 600 HE2 TYR 81 HE2 TYR 81 -3.309 0.104 5.073 601 HH TYR 81 HH TYR 81 -2.172 1.246 3.562 602 H ALA 82 H ALA 82 -8.517 -1.237 7.308 603 HA ALA 82 HA ALA 82 -6.861 0.819 8.622 604 HB1 ALA 82 3HB ALA 82 -9.124 -0.843 9.838 605 HB2 ALA 82 1HB ALA 82 -8.017 0.242 10.745 606 HB3 ALA 82 2HB ALA 82 -9.150 0.926 9.531 607 H PHE 83 H PHE 83 -5.127 0.046 9.886 608 HA PHE 83 HA PHE 83 -4.839 -2.873 10.013 609 HB2 PHE 83 2HB PHE 83 -2.528 -2.704 9.206 610 HB3 PHE 83 3HB PHE 83 -3.662 -2.134 7.974 611 HD1 PHE 83 HD1 PHE 83 -3.850 0.281 7.453 612 HD2 PHE 83 HD2 PHE 83 -0.949 -1.200 10.255 613 HE1 PHE 83 HE1 PHE 83 -2.606 2.415 7.294 614 HE2 PHE 83 HE2 PHE 83 0.292 0.936 10.096 615 HZ PHE 83 HZ PHE 83 -0.536 2.748 8.619 616 H GLY 84 H GLY 84 -3.978 -3.584 11.964 617 HA2 GLY 84 2HA GLY 84 -3.254 -3.463 14.081 618 HA3 GLY 84 3HA GLY 84 -2.223 -2.120 13.571 619 H ASP 85 H ASP 85 -2.501 -0.409 14.983 620 HA ASP 85 HA ASP 85 -5.275 0.274 15.691 621 HB2 ASP 85 2HB ASP 85 -4.247 1.695 17.424 622 HB3 ASP 85 3HB ASP 85 -3.758 0.004 17.593 623 H ARG 86 H ARG 86 -3.834 0.748 12.994 624 HA ARG 86 HA ARG 86 -4.209 3.668 13.010 625 HB2 ARG 86 2HB ARG 86 -2.087 2.119 11.503 626 HB3 ARG 86 3HB ARG 86 -2.482 3.824 11.247 627 HG2 ARG 86 2HG ARG 86 -1.733 2.844 14.010 628 HG3 ARG 86 3HG ARG 86 -0.475 3.120 12.798 629 HD2 ARG 86 2HD ARG 86 -0.508 5.129 13.854 630 HD3 ARG 86 3HD ARG 86 -1.607 5.439 12.503 631 HE ARG 86 HE ARG 86 -3.366 5.658 13.992 632 HH11 ARG 86 1HH1 ARG 86 -0.617 4.290 15.705 633 HH12 ARG 86 2HH1 ARG 86 -1.318 4.547 17.268 634 HH21 ARG 86 1HH2 ARG 86 -4.254 5.971 16.001 635 HH22 ARG 86 2HH2 ARG 86 -3.406 5.511 17.440 636 H THR 87 H THR 87 -4.557 4.478 10.609 637 HA THR 87 HA THR 87 -5.967 2.457 9.051 638 HB THR 87 HB THR 87 -7.682 3.533 10.516 639 HG1 THR 87 HG1 THR 87 -7.845 3.045 8.006 640 HG21 THR 87 3HG2 THR 87 -6.820 6.093 9.079 641 HG22 THR 87 1HG2 THR 87 -8.236 5.925 10.171 642 HG23 THR 87 2HG2 THR 87 -6.574 5.719 10.819 643 H ALA 88 H ALA 88 -6.302 3.134 6.767 644 HA ALA 88 HA ALA 88 -5.025 5.606 5.950 645 HB1 ALA 88 3HB ALA 88 -3.969 2.861 5.117 646 HB2 ALA 88 1HB ALA 88 -3.477 4.434 4.404 647 HB3 ALA 88 2HB ALA 88 -3.108 4.073 6.124 648 H LYS 89 H LYS 89 -5.453 6.115 3.658 649 HA LYS 89 HA LYS 89 -7.458 4.362 2.418 650 HB2 LYS 89 2HB LYS 89 -8.625 6.190 3.658 651 HB3 LYS 89 3HB LYS 89 -7.683 7.390 2.764 652 HG2 LYS 89 2HG LYS 89 -8.702 6.619 0.629 653 HG3 LYS 89 3HG LYS 89 -9.623 5.387 1.503 654 HD2 LYS 89 2HD LYS 89 -10.771 7.163 2.825 655 HD3 LYS 89 3HD LYS 89 -9.829 8.407 1.992 656 HE2 LYS 89 2HE LYS 89 -10.808 7.701 -0.192 657 HE3 LYS 89 3HE LYS 89 -11.733 6.433 0.624 658 HZ1 LYS 89 3HZ LYS 89 -12.010 9.329 1.122 659 HZ2 LYS 89 1HZ LYS 89 -13.050 8.401 0.271 660 HZ3 LYS 89 2HZ LYS 89 -12.863 8.158 1.875 661 H VAL 90 H VAL 90 -7.154 4.091 0.216 662 HA VAL 90 HA VAL 90 -5.084 5.811 -0.967 663 HB VAL 90 HB VAL 90 -4.322 3.497 -0.762 664 HG11 VAL 90 1HG1 VAL 90 -5.527 1.637 -1.869 665 HG12 VAL 90 2HG1 VAL 90 -6.514 2.398 -0.576 666 HG13 VAL 90 3HG1 VAL 90 -6.858 2.763 -2.301 667 HG21 VAL 90 3HG2 VAL 90 -3.681 4.723 -2.795 668 HG22 VAL 90 1HG2 VAL 90 -3.896 2.974 -3.145 669 HG23 VAL 90 2HG2 VAL 90 -5.167 4.149 -3.625 670 H GLU 91 H GLU 91 -5.546 6.858 -2.927 671 HA GLU 91 HA GLU 91 -8.151 6.194 -4.143 672 HB2 GLU 91 2HB GLU 91 -6.886 8.954 -3.786 673 HB3 GLU 91 3HB GLU 91 -8.394 8.610 -4.643 674 HG2 GLU 91 2HG GLU 91 -9.379 7.741 -2.494 675 HG3 GLU 91 3HG GLU 91 -7.885 8.180 -1.657 676 H PHE 92 H PHE 92 -8.266 6.371 -6.459 677 HA PHE 92 HA PHE 92 -5.588 6.448 -7.704 678 HB2 PHE 92 2HB PHE 92 -8.014 4.744 -8.457 679 HB3 PHE 92 3HB PHE 92 -6.448 4.749 -9.279 680 HD1 PHE 92 HD1 PHE 92 -8.258 3.746 -6.214 681 HD2 PHE 92 HD2 PHE 92 -4.516 3.631 -8.320 682 HE1 PHE 92 HE1 PHE 92 -7.446 1.981 -4.677 683 HE2 PHE 92 HE2 PHE 92 -3.707 1.864 -6.786 684 HZ PHE 92 HZ PHE 92 -5.168 1.040 -4.960 685 H LEU 93 H LEU 93 -5.318 7.933 -9.324 686 HA LEU 93 HA LEU 93 -7.781 8.981 -10.575 687 HB2 LEU 93 2HB LEU 93 -6.720 10.687 -9.193 688 HB3 LEU 93 3HB LEU 93 -5.132 10.338 -9.889 689 HG LEU 93 HG LEU 93 -6.004 11.131 -12.138 690 HD11 LEU 93 1HD1 LEU 93 -8.085 12.459 -12.150 691 HD12 LEU 93 2HD1 LEU 93 -8.400 10.746 -11.714 692 HD13 LEU 93 3HD1 LEU 93 -8.385 12.009 -10.438 693 HD21 LEU 93 3HD2 LEU 93 -4.674 12.576 -10.639 694 HD22 LEU 93 1HD2 LEU 93 -5.919 13.526 -11.518 695 HD23 LEU 93 2HD2 LEU 93 -6.174 13.089 -9.795 696 H GLU 94 H GLU 94 -7.981 8.598 -12.742 697 HA GLU 94 HA GLU 94 -5.779 7.384 -14.146 698 HB2 GLU 94 2HB GLU 94 -8.157 6.696 -14.452 699 HB3 GLU 94 3HB GLU 94 -8.543 8.307 -15.071 700 HG2 GLU 94 2HG GLU 94 -6.982 7.951 -16.981 701 HG3 GLU 94 3HG GLU 94 -6.585 6.344 -16.361 702 H ALA 95 H ALA 95 -4.169 8.501 -15.169 703 HA ALA 95 HA ALA 95 -4.801 11.252 -16.031 704 HB1 ALA 95 3HB ALA 95 -2.140 9.932 -15.311 705 HB2 ALA 95 1HB ALA 95 -2.352 11.619 -15.887 706 HB3 ALA 95 2HB ALA 95 -3.048 11.115 -14.310 707 HA PRO 96 HA PRO 96 -4.029 10.095 -20.233 708 HB2 PRO 96 2HB PRO 96 -2.777 12.387 -21.182 709 HB3 PRO 96 3HB PRO 96 -4.503 12.382 -20.799 710 HG2 PRO 96 2HG PRO 96 -2.176 13.345 -19.100 711 HG3 PRO 96 3HG PRO 96 -3.728 14.135 -19.404 712 HD2 PRO 96 2HD PRO 96 -3.299 12.748 -17.102 713 HD3 PRO 96 3HD PRO 96 -4.891 12.748 -17.872 714 H GLN 97 H GLN 97 -1.282 11.049 -18.187 715 HA GLN 97 HA GLN 97 0.520 9.900 -20.191 716 HB2 GLN 97 2HB GLN 97 1.057 11.419 -17.589 717 HB3 GLN 97 3HB GLN 97 2.296 10.851 -18.717 718 HG2 GLN 97 2HG GLN 97 0.135 12.929 -19.301 719 HG3 GLN 97 3HG GLN 97 1.851 13.250 -19.017 720 HE21 GLN 97 1HE2 GLN 97 -0.232 13.379 -21.396 721 HE22 GLN 97 2HE2 GLN 97 0.692 12.791 -22.737 722 H GLY 98 H GLY 98 -1.192 9.065 -17.251 723 HA2 GLY 98 2HA GLY 98 -0.101 6.490 -17.113 724 HA3 GLY 98 3HA GLY 98 0.789 7.517 -15.981 725 H VAL 99 H VAL 99 -0.242 5.913 -14.371 726 HA VAL 99 HA VAL 99 -2.904 6.938 -13.661 727 HB VAL 99 HB VAL 99 -1.584 4.276 -12.920 728 HG11 VAL 99 1HG1 VAL 99 -3.797 3.709 -11.969 729 HG12 VAL 99 2HG1 VAL 99 -3.057 5.123 -11.146 730 HG13 VAL 99 3HG1 VAL 99 -4.376 5.368 -12.340 731 HG21 VAL 99 3HG2 VAL 99 -2.256 4.357 -15.283 732 HG22 VAL 99 1HG2 VAL 99 -3.337 3.268 -14.348 733 HG23 VAL 99 2HG2 VAL 99 -3.898 4.911 -14.810 734 H THR 100 H THR 100 -3.110 8.008 -11.692 735 HA THR 100 HA THR 100 -0.627 8.251 -10.170 736 HB THR 100 HB THR 100 -3.170 9.955 -10.251 737 HG1 THR 100 HG1 THR 100 -0.428 10.507 -11.061 738 HG21 THR 100 3HG2 THR 100 -0.572 10.354 -8.686 739 HG22 THR 100 1HG2 THR 100 -1.922 11.532 -8.802 740 HG23 THR 100 2HG2 THR 100 -2.178 9.950 -7.990 741 H VAL 101 H VAL 101 -0.438 7.309 -8.153 742 HA VAL 101 HA VAL 101 -2.952 6.459 -6.889 743 HB VAL 101 HB VAL 101 -0.133 5.288 -6.630 744 HG11 VAL 101 1HG1 VAL 101 -1.236 3.509 -5.310 745 HG12 VAL 101 2HG1 VAL 101 -1.405 5.120 -4.534 746 HG13 VAL 101 3HG1 VAL 101 -2.792 4.399 -5.418 747 HG21 VAL 101 3HG2 VAL 101 -1.175 4.779 -8.798 748 HG22 VAL 101 1HG2 VAL 101 -1.104 3.313 -7.763 749 HG23 VAL 101 2HG2 VAL 101 -2.655 4.196 -7.964 750 H ARG 102 H ARG 102 -3.461 7.439 -4.950 751 HA ARG 102 HA ARG 102 -1.237 8.753 -3.532 752 HB2 ARG 102 2HB ARG 102 -2.619 10.420 -4.613 753 HB3 ARG 102 3HB ARG 102 -4.080 9.734 -3.889 754 HG2 ARG 102 2HG ARG 102 -3.160 10.266 -1.617 755 HG3 ARG 102 3HG ARG 102 -1.763 11.029 -2.389 756 HD2 ARG 102 2HD ARG 102 -4.635 11.872 -2.819 757 HD3 ARG 102 3HD ARG 102 -3.549 12.582 -1.618 758 HE ARG 102 HE ARG 102 -2.160 12.851 -3.969 759 HH11 ARG 102 1HH1 ARG 102 -5.417 13.736 -2.993 760 HH12 ARG 102 2HH1 ARG 102 -5.471 15.127 -4.023 761 HH21 ARG 102 1HH2 ARG 102 -2.245 14.631 -5.290 762 HH22 ARG 102 2HH2 ARG 102 -3.651 15.642 -5.344 763 H VAL 103 H VAL 103 -0.969 8.198 -1.395 764 HA VAL 103 HA VAL 103 -3.207 6.742 -0.163 765 HB VAL 103 HB VAL 103 -0.203 6.247 0.153 766 HG11 VAL 103 1HG1 VAL 103 -0.885 4.358 1.601 767 HG12 VAL 103 2HG1 VAL 103 -1.407 5.939 2.275 768 HG13 VAL 103 3HG1 VAL 103 -2.599 4.873 1.458 769 HG21 VAL 103 3HG2 VAL 103 -1.106 5.378 -1.963 770 HG22 VAL 103 1HG2 VAL 103 -0.711 4.035 -0.837 771 HG23 VAL 103 2HG2 VAL 103 -2.419 4.538 -1.071 772 H SER 104 H SER 104 -3.974 7.710 1.695 773 HA SER 104 HA SER 104 -2.077 9.430 3.173 774 HB2 SER 104 2HB SER 104 -3.851 10.717 2.003 775 HB3 SER 104 3HB SER 104 -5.091 9.738 2.798 776 HG SER 104 HG SER 104 -3.412 11.759 3.843 777 H PHE 105 H PHE 105 -1.837 9.012 5.365 778 HA PHE 105 HA PHE 105 -3.620 7.008 6.542 779 HB2 PHE 105 2HB PHE 105 -1.769 5.561 7.139 780 HB3 PHE 105 3HB PHE 105 -1.794 5.769 5.382 781 HD1 PHE 105 HD1 PHE 105 -0.122 7.290 4.283 782 HD2 PHE 105 HD2 PHE 105 0.098 6.280 8.453 783 HE1 PHE 105 HE1 PHE 105 2.241 8.022 4.335 784 HE2 PHE 105 HE2 PHE 105 2.462 7.013 8.504 785 HZ PHE 105 HZ PHE 105 3.538 7.882 6.446 786 H VAL 106 H VAL 106 -3.214 6.754 8.936 787 HA VAL 106 HA VAL 106 -2.571 9.309 10.081 788 HB VAL 106 HB VAL 106 -3.381 6.628 11.316 789 HG11 VAL 106 1HG1 VAL 106 -3.804 7.926 13.382 790 HG12 VAL 106 2HG1 VAL 106 -2.072 7.967 12.910 791 HG13 VAL 106 3HG1 VAL 106 -3.122 9.390 12.596 792 HG21 VAL 106 3HG2 VAL 106 -5.127 7.653 9.924 793 HG22 VAL 106 1HG2 VAL 106 -5.562 7.746 11.664 794 HG23 VAL 106 2HG2 VAL 106 -4.945 9.203 10.814 795 H ALA 107 H ALA 107 -0.647 9.900 11.071 796 HA ALA 107 HA ALA 107 1.593 8.157 10.770 797 HB1 ALA 107 3HB ALA 107 1.246 10.829 12.216 798 HB2 ALA 107 1HB ALA 107 2.812 10.030 11.853 799 HB3 ALA 107 2HB ALA 107 1.763 10.600 10.512 800 H GLU 108 H GLU 108 2.711 6.927 12.294 801 HA GLU 108 HA GLU 108 1.298 6.283 14.702 802 HB2 GLU 108 2HB GLU 108 2.567 4.619 13.373 803 HB3 GLU 108 3HB GLU 108 4.066 5.512 13.661 804 HG2 GLU 108 2HG GLU 108 3.860 3.531 15.140 805 HG3 GLU 108 3HG GLU 108 3.958 5.037 16.062 806 H THR 109 H THR 109 1.521 7.195 16.714 807 HA THR 109 HA THR 109 2.987 9.579 16.902 808 HB THR 109 HB THR 109 2.271 9.555 19.284 809 HG1 THR 109 HG1 THR 109 1.000 7.697 20.003 810 HG21 THR 109 3HG2 THR 109 0.110 8.608 17.337 811 HG22 THR 109 1HG2 THR 109 -0.174 9.467 18.889 812 HG23 THR 109 2HG2 THR 109 0.682 10.298 17.546 813 H GLU 110 H GLU 110 3.850 6.200 17.506 814 HA GLU 110 HA GLU 110 5.895 6.736 19.421 815 HB2 GLU 110 2HB GLU 110 5.306 4.389 17.558 816 HB3 GLU 110 3HB GLU 110 6.625 4.392 18.737 817 HG2 GLU 110 2HG GLU 110 5.003 4.654 20.591 818 HG3 GLU 110 3HG GLU 110 3.666 4.734 19.436 819 H TYR 111 H TYR 111 5.633 7.299 15.994 820 HA TYR 111 HA TYR 111 8.569 7.568 15.879 821 HB2 TYR 111 2HB TYR 111 6.646 6.600 13.707 822 HB3 TYR 111 3HB TYR 111 8.343 7.014 13.430 823 HD1 TYR 111 HD1 TYR 111 10.148 5.569 14.263 824 HD2 TYR 111 HD2 TYR 111 6.029 4.554 14.922 825 HE1 TYR 111 HE1 TYR 111 10.814 3.264 14.869 826 HE2 TYR 111 HE2 TYR 111 6.690 2.249 15.533 827 HH TYR 111 HH TYR 111 8.344 0.813 15.802 828 HA PRO 112 HA PRO 112 7.737 11.734 14.537 829 HB2 PRO 112 2HB PRO 112 9.995 12.149 12.978 830 HB3 PRO 112 3HB PRO 112 10.104 12.096 14.742 831 HG2 PRO 112 2HG PRO 112 10.675 9.893 12.730 832 HG3 PRO 112 3HG PRO 112 11.625 10.381 14.139 833 HD2 PRO 112 2HD PRO 112 9.967 8.224 14.250 834 HD3 PRO 112 3HD PRO 112 10.195 9.264 15.663 835 H VAL 113 H VAL 113 6.927 12.957 12.836 836 HA VAL 113 HA VAL 113 5.510 11.474 10.990 837 HB VAL 113 HB VAL 113 5.105 13.682 9.860 838 HG11 VAL 113 1HG1 VAL 113 4.028 14.776 11.802 839 HG12 VAL 113 2HG1 VAL 113 3.758 13.000 11.800 840 HG13 VAL 113 3HG1 VAL 113 4.969 13.723 12.911 841 HG21 VAL 113 3HG2 VAL 113 7.346 14.648 10.141 842 HG22 VAL 113 1HG2 VAL 113 6.093 15.724 10.846 843 HG23 VAL 113 2HG2 VAL 113 7.111 14.707 11.921 844 H GLU 114 H GLU 114 8.817 12.864 10.798 845 HA GLU 114 HA GLU 114 9.093 12.718 8.000 846 HB2 GLU 114 2HB GLU 114 11.078 12.572 10.316 847 HB3 GLU 114 3HB GLU 114 11.575 12.589 8.619 848 HG2 GLU 114 2HG GLU 114 10.554 14.805 8.294 849 HG3 GLU 114 3HG GLU 114 9.901 14.783 9.938 850 H GLN 115 H GLN 115 9.637 10.288 10.646 851 HA GLN 115 HA GLN 115 10.885 8.389 8.976 852 HB2 GLN 115 2HB GLN 115 11.011 8.408 11.461 853 HB3 GLN 115 3HB GLN 115 9.280 8.063 11.561 854 HG2 GLN 115 2HG GLN 115 10.519 6.017 11.939 855 HG3 GLN 115 3HG GLN 115 9.649 5.887 10.405 856 HE21 GLN 115 1HE2 GLN 115 10.890 4.610 9.147 857 HE22 GLN 115 2HE2 GLN 115 12.570 4.857 8.808 858 H GLN 116 H GLN 116 7.419 9.024 9.849 859 HA GLN 116 HA GLN 116 6.474 6.628 8.652 860 HB2 GLN 116 2HB GLN 116 5.160 9.271 9.442 861 HB3 GLN 116 3HB GLN 116 4.253 7.914 8.761 862 HG2 GLN 116 2HG GLN 116 5.889 7.838 11.341 863 HG3 GLN 116 3HG GLN 116 4.131 8.004 11.241 864 HE21 GLN 116 1HE2 GLN 116 6.458 5.843 11.931 865 HE22 GLN 116 2HE2 GLN 116 5.704 4.367 11.427 866 H GLN 117 H GLN 117 6.825 10.068 7.513 867 HA GLN 117 HA GLN 117 5.492 9.685 5.071 868 HB2 GLN 117 2HB GLN 117 6.011 11.893 6.076 869 HB3 GLN 117 3HB GLN 117 7.742 11.600 5.867 870 HG2 GLN 117 2HG GLN 117 7.423 11.515 3.393 871 HG3 GLN 117 3HG GLN 117 5.695 11.823 3.609 872 HE21 GLN 117 1HE2 GLN 117 6.591 13.625 2.072 873 HE22 GLN 117 2HE2 GLN 117 7.002 15.120 2.844 874 H GLN 118 H GLN 118 9.041 9.470 5.941 875 HA GLN 118 HA GLN 118 9.828 8.898 3.283 876 HB2 GLN 118 2HB GLN 118 11.119 8.503 6.022 877 HB3 GLN 118 3HB GLN 118 11.935 8.062 4.516 878 HG2 GLN 118 2HG GLN 118 11.821 10.395 3.731 879 HG3 GLN 118 3HG GLN 118 10.904 10.862 5.169 880 HE21 GLN 118 1HE2 GLN 118 13.050 12.321 4.847 881 HE22 GLN 118 2HE2 GLN 118 14.356 11.859 5.886 882 H GLY 119 H GLY 119 8.815 6.846 6.095 883 HA2 GLY 119 2HA GLY 119 9.720 4.398 5.077 884 HA3 GLY 119 3HA GLY 119 8.407 4.650 6.234 885 H TRP 120 H TRP 120 6.488 6.079 4.713 886 HA TRP 120 HA TRP 120 5.413 4.001 3.102 887 HB2 TRP 120 2HB TRP 120 4.644 6.637 4.164 888 HB3 TRP 120 3HB TRP 120 4.095 6.428 2.496 889 HD1 TRP 120 HD1 TRP 120 1.877 5.100 2.185 890 HE1 TRP 120 HE1 TRP 120 0.405 3.603 3.694 891 HE3 TRP 120 HE3 TRP 120 4.953 4.818 6.291 892 HZ2 TRP 120 HZ2 TRP 120 0.516 2.458 6.262 893 HZ3 TRP 120 HZ3 TRP 120 4.198 3.498 8.250 894 HH2 TRP 120 HH2 TRP 120 2.010 2.329 8.233 895 H GLN 121 H GLN 121 7.288 7.011 2.415 896 HA GLN 121 HA GLN 121 6.843 7.003 -0.364 897 HB2 GLN 121 2HB GLN 121 7.764 8.907 0.991 898 HB3 GLN 121 3HB GLN 121 9.248 7.982 1.256 899 HG2 GLN 121 2HG GLN 121 9.644 9.571 -0.519 900 HG3 GLN 121 3HG GLN 121 9.647 7.946 -1.216 901 HE21 GLN 121 1HE2 GLN 121 8.741 7.969 -3.176 902 HE22 GLN 121 2HE2 GLN 121 7.315 8.838 -3.637 903 H ALA 122 H ALA 122 9.251 5.305 1.752 904 HA ALA 122 HA ALA 122 10.952 4.512 -0.345 905 HB1 ALA 122 3HB ALA 122 10.389 3.261 2.387 906 HB2 ALA 122 1HB ALA 122 11.789 2.881 1.328 907 HB3 ALA 122 2HB ALA 122 11.611 4.526 2.027 908 H ILE 123 H ILE 123 8.110 2.860 1.237 909 HA ILE 123 HA ILE 123 8.407 0.555 -0.397 910 HB ILE 123 HB ILE 123 6.188 -0.073 0.515 911 HG12 ILE 123 2HG1 ILE 123 6.224 2.690 1.820 912 HG13 ILE 123 3HG1 ILE 123 5.225 2.245 0.430 913 HG21 ILE 123 1HG2 ILE 123 6.796 -0.086 2.911 914 HG22 ILE 123 2HG2 ILE 123 8.199 -0.487 1.864 915 HG23 ILE 123 3HG2 ILE 123 8.062 1.148 2.594 916 HD11 ILE 123 3HD1 ILE 123 5.088 0.975 3.201 917 HD12 ILE 123 1HD1 ILE 123 3.930 2.161 2.512 918 HD13 ILE 123 2HD1 ILE 123 4.074 0.524 1.789 919 H LEU 124 H LEU 124 6.636 3.676 -0.661 920 HA LEU 124 HA LEU 124 4.985 2.900 -2.829 921 HB2 LEU 124 2HB LEU 124 4.765 4.930 -1.285 922 HB3 LEU 124 3HB LEU 124 6.108 5.663 -2.172 923 HG LEU 124 HG LEU 124 4.757 5.530 -4.288 924 HD11 LEU 124 1HD1 LEU 124 2.347 5.030 -4.121 925 HD12 LEU 124 2HD1 LEU 124 3.349 3.608 -3.673 926 HD13 LEU 124 3HD1 LEU 124 2.557 4.588 -2.393 927 HD21 LEU 124 3HD2 LEU 124 4.791 7.571 -2.900 928 HD22 LEU 124 1HD2 LEU 124 3.183 7.335 -3.665 929 HD23 LEU 124 2HD2 LEU 124 3.418 6.940 -1.929 930 H ASN 125 H ASN 125 8.388 4.090 -2.590 931 HA ASN 125 HA ASN 125 8.713 4.587 -5.335 932 HB2 ASN 125 2HB ASN 125 10.636 3.862 -3.103 933 HB3 ASN 125 3HB ASN 125 11.173 4.157 -4.761 934 HD21 ASN 125 1HD2 ASN 125 12.075 5.651 -2.662 935 HD22 ASN 125 2HD2 ASN 125 11.535 7.283 -2.874 936 H ASN 126 H ASN 126 9.128 1.582 -3.326 937 HA ASN 126 HA ASN 126 10.068 0.019 -5.486 938 HB2 ASN 126 2HB ASN 126 8.753 -0.639 -2.831 939 HB3 ASN 126 3HB ASN 126 9.234 -1.886 -3.988 940 HD21 ASN 126 1HD2 ASN 126 10.283 -1.951 -1.540 941 HD22 ASN 126 2HD2 ASN 126 11.974 -1.580 -1.611 942 H PHE 127 H PHE 127 6.762 0.781 -4.195 943 HA PHE 127 HA PHE 127 5.313 -0.931 -5.845 944 HB2 PHE 127 2HB PHE 127 4.274 0.296 -4.029 945 HB3 PHE 127 3HB PHE 127 4.742 1.852 -4.729 946 HD1 PHE 127 HD1 PHE 127 2.475 -1.063 -5.070 947 HD2 PHE 127 HD2 PHE 127 3.483 2.848 -6.535 948 HE1 PHE 127 HE1 PHE 127 0.324 -0.963 -6.291 949 HE2 PHE 127 HE2 PHE 127 1.333 2.947 -7.753 950 HZ PHE 127 HZ PHE 127 -0.252 1.039 -7.634 951 H LYS 128 H LYS 128 6.559 2.441 -6.484 952 HA LYS 128 HA LYS 128 5.399 2.699 -9.014 953 HB2 LYS 128 2HB LYS 128 6.377 4.552 -7.692 954 HB3 LYS 128 3HB LYS 128 7.991 3.850 -7.874 955 HG2 LYS 128 2HG LYS 128 7.814 4.152 -10.364 956 HG3 LYS 128 3HG LYS 128 6.233 4.914 -10.141 957 HD2 LYS 128 2HD LYS 128 7.377 6.604 -8.583 958 HD3 LYS 128 3HD LYS 128 8.926 5.910 -9.076 959 HE2 LYS 128 2HE LYS 128 6.872 6.977 -11.077 960 HE3 LYS 128 3HE LYS 128 8.139 7.990 -10.372 961 HZ1 LYS 128 3HZ LYS 128 8.482 5.645 -12.110 962 HZ2 LYS 128 1HZ LYS 128 8.985 7.177 -12.367 963 HZ3 LYS 128 2HZ LYS 128 9.721 6.255 -11.238 964 H ARG 129 H ARG 129 8.703 1.461 -8.048 965 HA ARG 129 HA ARG 129 9.540 1.136 -10.718 966 HB2 ARG 129 2HB ARG 129 10.534 0.023 -8.091 967 HB3 ARG 129 3HB ARG 129 11.281 -0.379 -9.643 968 HG2 ARG 129 2HG ARG 129 11.716 2.030 -10.060 969 HG3 ARG 129 3HG ARG 129 10.963 2.436 -8.512 970 HD2 ARG 129 2HD ARG 129 12.671 1.170 -7.322 971 HD3 ARG 129 3HD ARG 129 13.406 0.685 -8.855 972 HE ARG 129 HE ARG 129 13.314 3.511 -8.776 973 HH11 ARG 129 1HH1 ARG 129 14.913 0.875 -7.091 974 HH12 ARG 129 2HH1 ARG 129 16.330 1.806 -6.740 975 HH21 ARG 129 1HH2 ARG 129 15.132 4.696 -8.309 976 HH22 ARG 129 2HH2 ARG 129 16.456 3.999 -7.438 977 H HIS 130 H HIS 130 7.764 -1.003 -8.427 978 HA HIS 130 HA HIS 130 8.197 -3.368 -9.940 979 HB2 HIS 130 2HB HIS 130 7.620 -3.398 -7.544 980 HB3 HIS 130 3HB HIS 130 6.082 -2.589 -7.871 981 HD2 HIS 130 HD2 HIS 130 3.993 -4.314 -8.319 982 HE1 HIS 130 HE1 HIS 130 6.311 -7.839 -9.045 983 H VAL 131 H VAL 131 5.354 -1.066 -9.673 984 HA VAL 131 HA VAL 131 3.830 -2.682 -11.444 985 HB VAL 131 HB VAL 131 3.433 0.151 -10.355 986 HG11 VAL 131 1HG1 VAL 131 1.086 -0.077 -11.105 987 HG12 VAL 131 2HG1 VAL 131 2.235 -0.114 -12.484 988 HG13 VAL 131 3HG1 VAL 131 1.493 -1.639 -11.892 989 HG21 VAL 131 3HG2 VAL 131 3.403 -1.616 -8.646 990 HG22 VAL 131 1HG2 VAL 131 1.757 -0.941 -8.896 991 HG23 VAL 131 2HG2 VAL 131 2.190 -2.536 -9.600 992 H GLU 132 H GLU 132 5.689 0.433 -11.754 993 HA GLU 132 HA GLU 132 4.699 1.194 -14.234 994 HB2 GLU 132 2HB GLU 132 6.071 2.607 -12.719 995 HB3 GLU 132 3HB GLU 132 7.479 1.581 -13.022 996 HG2 GLU 132 2HG GLU 132 7.470 2.227 -15.412 997 HG3 GLU 132 3HG GLU 132 6.012 3.196 -15.164 998 H SER 133 H SER 133 7.108 -1.322 -13.379 999 HA SER 133 HA SER 133 8.326 -1.337 -15.969 1000 HB2 SER 133 2HB SER 133 9.587 -3.178 -15.109 1001 HB3 SER 133 3HB SER 133 9.416 -2.010 -13.793 1002 HG SER 133 HG SER 133 7.638 -3.294 -12.984 1003 H HIS 134 H HIS 134 5.230 -2.287 -14.985 1004 HA HIS 134 HA HIS 134 5.203 -4.754 -16.534 1005 HB2 HIS 134 2HB HIS 134 3.032 -3.266 -14.973 1006 HB3 HIS 134 3HB HIS 134 2.810 -4.823 -15.782 1007 HD2 HIS 134 HD2 HIS 134 6.080 -5.583 -14.452 1008 HE1 HIS 134 HE1 HIS 134 3.588 -5.962 -10.992 1009 H LEU 135 H LEU 135 5.334 -1.602 -17.464 1010 HA LEU 135 HA LEU 135 3.937 -2.304 -19.919 1011 HB2 LEU 135 2HB LEU 135 2.206 -1.120 -18.648 1012 HB3 LEU 135 3HB LEU 135 3.330 0.188 -18.256 1013 HG LEU 135 HG LEU 135 3.480 0.726 -20.734 1014 HD11 LEU 135 1HD1 LEU 135 1.734 -0.201 -22.209 1015 HD12 LEU 135 2HD1 LEU 135 2.825 -1.487 -21.591 1016 HD13 LEU 135 3HD1 LEU 135 1.187 -1.284 -20.885 1017 HD21 LEU 135 3HD2 LEU 135 2.010 1.968 -19.187 1018 HD22 LEU 135 1HD2 LEU 135 1.254 1.804 -20.808 1019 HD23 LEU 135 2HD2 LEU 135 0.705 0.763 -19.451 1020 H GLU 136 H GLU 136 5.407 -1.982 -21.530 1021 HA GLU 136 HA GLU 136 7.597 -0.138 -21.095 1022 HB2 GLU 136 2HB GLU 136 6.800 -1.911 -23.453 1023 HB3 GLU 136 3HB GLU 136 8.275 -0.938 -23.378 1024 HG2 GLU 136 2HG GLU 136 9.015 -2.238 -21.369 1025 HG3 GLU 136 3HG GLU 136 7.551 -3.224 -21.479 1026 H HIS 137 H HIS 137 7.990 1.801 -22.265 1027 HA HIS 137 HA HIS 137 5.722 2.710 -23.918 1028 HB2 HIS 137 2HB HIS 137 5.713 3.803 -21.683 1029 HB3 HIS 137 3HB HIS 137 7.386 4.322 -21.921 1030 HD2 HIS 137 HD2 HIS 137 7.615 6.792 -23.095 1031 HE1 HIS 137 HE1 HIS 137 3.636 7.063 -24.648 1032 H HIS 138 H HIS 138 9.231 3.363 -23.073 1033 HA HIS 138 HA HIS 138 9.915 3.297 -25.856 1034 HB2 HIS 138 2HB HIS 138 8.952 5.586 -25.673 1035 HB3 HIS 138 3HB HIS 138 10.047 5.947 -24.332 1036 HD2 HIS 138 HD2 HIS 138 12.451 7.019 -25.120 1037 HE1 HIS 138 HE1 HIS 138 12.224 5.946 -29.257 Start of MODEL 5 1 H1 MET 1 1H MET 1 -1.621 14.669 14.030 2 H2 MET 1 2H MET 1 -2.733 13.857 13.153 3 H3 MET 1 3H MET 1 -1.455 13.063 13.787 4 HA MET 1 HA MET 1 -1.238 15.201 11.819 5 HB2 MET 1 2HB MET 1 0.730 13.112 12.870 6 HB3 MET 1 3HB MET 1 1.052 14.196 11.510 7 HG2 MET 1 2HG MET 1 0.476 15.073 14.381 8 HG3 MET 1 3HG MET 1 2.076 14.986 13.632 9 HE1 MET 1 3HE MET 1 1.695 16.100 10.695 10 HE2 MET 1 1HE MET 1 2.020 17.842 10.985 11 HE3 MET 1 2HE MET 1 2.988 16.593 11.839 12 H ASN 2 H ASN 2 -1.987 14.712 9.796 13 HA ASN 2 HA ASN 2 -2.122 11.873 9.075 14 HB2 ASN 2 2HB ASN 2 -3.342 14.350 7.799 15 HB3 ASN 2 3HB ASN 2 -3.468 12.712 7.144 16 HD21 ASN 2 1HD2 ASN 2 -5.002 14.993 8.914 17 HD22 ASN 2 2HD2 ASN 2 -6.149 13.986 9.733 18 H ILE 3 H ILE 3 -0.657 10.994 7.650 19 HA ILE 3 HA ILE 3 1.067 12.912 6.243 20 HB ILE 3 HB ILE 3 1.551 9.968 6.943 21 HG12 ILE 3 2HG1 ILE 3 1.546 11.392 8.940 22 HG13 ILE 3 3HG1 ILE 3 3.176 10.814 8.572 23 HG21 ILE 3 1HG2 ILE 3 3.869 10.422 6.207 24 HG22 ILE 3 2HG2 ILE 3 2.687 10.658 4.875 25 HG23 ILE 3 3HG2 ILE 3 3.385 12.082 5.719 26 HD11 ILE 3 3HD1 ILE 3 2.077 13.585 7.918 27 HD12 ILE 3 1HD1 ILE 3 3.206 13.172 9.252 28 HD13 ILE 3 2HD1 ILE 3 3.733 12.999 7.544 29 H THR 4 H THR 4 1.050 12.952 3.998 30 HA THR 4 HA THR 4 -0.497 10.807 2.713 31 HB THR 4 HB THR 4 -0.363 13.777 1.975 32 HG1 THR 4 HG1 THR 4 -2.646 13.677 2.578 33 HG21 THR 4 3HG2 THR 4 -1.948 11.465 0.752 34 HG22 THR 4 1HG2 THR 4 -2.092 13.196 0.297 35 HG23 THR 4 2HG2 THR 4 -0.557 12.313 -0.004 36 H VAL 5 H VAL 5 0.422 9.845 0.869 37 HA VAL 5 HA VAL 5 2.738 11.240 -0.275 38 HB VAL 5 HB VAL 5 3.750 8.993 -0.731 39 HG11 VAL 5 1HG1 VAL 5 4.522 8.568 1.584 40 HG12 VAL 5 2HG1 VAL 5 4.484 10.323 1.204 41 HG13 VAL 5 3HG1 VAL 5 3.189 9.594 2.212 42 HG21 VAL 5 3HG2 VAL 5 1.697 7.643 -0.641 43 HG22 VAL 5 1HG2 VAL 5 2.919 7.026 0.521 44 HG23 VAL 5 2HG2 VAL 5 1.527 7.995 1.112 45 H GLU 6 H GLU 6 3.140 10.651 -2.612 46 HA GLU 6 HA GLU 6 0.829 9.511 -3.972 47 HB2 GLU 6 2HB GLU 6 0.283 11.924 -3.619 48 HB3 GLU 6 3HB GLU 6 1.791 12.376 -4.425 49 HG2 GLU 6 2HG GLU 6 0.987 11.261 -6.521 50 HG3 GLU 6 3HG GLU 6 -0.532 10.856 -5.711 51 H THR 7 H THR 7 1.370 8.614 -5.990 52 HA THR 7 HA THR 7 3.906 9.398 -7.159 53 HB THR 7 HB THR 7 4.402 7.455 -5.613 54 HG1 THR 7 HG1 THR 7 4.698 6.355 -8.211 55 HG21 THR 7 3HG2 THR 7 2.569 5.958 -7.551 56 HG22 THR 7 1HG2 THR 7 3.593 5.209 -6.280 57 HG23 THR 7 2HG2 THR 7 2.235 6.289 -5.817 58 H THR 8 H THR 8 3.882 9.228 -9.443 59 HA THR 8 HA THR 8 1.394 8.131 -10.546 60 HB THR 8 HB THR 8 3.365 10.191 -11.672 61 HG1 THR 8 HG1 THR 8 1.474 11.588 -11.431 62 HG21 THR 8 3HG2 THR 8 0.760 9.090 -12.837 63 HG22 THR 8 1HG2 THR 8 1.732 10.437 -13.520 64 HG23 THR 8 2HG2 THR 8 2.415 8.777 -13.459 65 H VAL 9 H VAL 9 1.495 6.367 -11.939 66 HA VAL 9 HA VAL 9 4.219 5.467 -12.584 67 HB VAL 9 HB VAL 9 3.292 3.150 -12.479 68 HG11 VAL 9 1HG1 VAL 9 3.086 3.027 -10.015 69 HG12 VAL 9 2HG1 VAL 9 4.424 4.113 -10.521 70 HG13 VAL 9 3HG1 VAL 9 2.870 4.809 -9.949 71 HG21 VAL 9 3HG2 VAL 9 0.940 3.672 -12.976 72 HG22 VAL 9 1HG2 VAL 9 1.081 2.774 -11.427 73 HG23 VAL 9 2HG2 VAL 9 0.791 4.546 -11.415 74 H ALA 10 H ALA 10 4.592 4.571 -14.692 75 HA ALA 10 HA ALA 10 2.576 5.297 -16.661 76 HB1 ALA 10 3HB ALA 10 5.408 4.171 -16.902 77 HB2 ALA 10 1HB ALA 10 4.374 4.711 -18.268 78 HB3 ALA 10 2HB ALA 10 4.933 5.897 -17.041 79 H ALA 11 H ALA 11 0.977 3.619 -15.889 80 HA ALA 11 HA ALA 11 1.359 1.212 -17.439 81 HB1 ALA 11 3HB ALA 11 0.979 1.116 -14.406 82 HB2 ALA 11 1HB ALA 11 0.870 -0.288 -15.521 83 HB3 ALA 11 2HB ALA 11 2.431 0.576 -15.315 84 HA PRO 12 HA PRO 12 -3.036 1.594 -17.738 85 HB2 PRO 12 2HB PRO 12 -3.817 -1.034 -18.070 86 HB3 PRO 12 3HB PRO 12 -2.886 -0.214 -19.330 87 HG2 PRO 12 2HG PRO 12 -1.904 -2.098 -17.156 88 HG3 PRO 12 3HG PRO 12 -1.509 -2.094 -18.880 89 HD2 PRO 12 2HD PRO 12 0.174 -0.985 -17.038 90 HD3 PRO 12 3HD PRO 12 0.025 -0.311 -18.666 91 H VAL 13 H VAL 13 -5.032 1.469 -16.672 92 HA VAL 13 HA VAL 13 -4.618 1.605 -13.923 93 HB VAL 13 HB VAL 13 -7.113 1.830 -13.800 94 HG11 VAL 13 1HG1 VAL 13 -7.267 3.872 -15.191 95 HG12 VAL 13 2HG1 VAL 13 -5.706 3.781 -14.307 96 HG13 VAL 13 3HG1 VAL 13 -5.771 3.389 -16.058 97 HG21 VAL 13 3HG2 VAL 13 -7.712 0.203 -15.543 98 HG22 VAL 13 1HG2 VAL 13 -8.420 1.814 -15.902 99 HG23 VAL 13 2HG2 VAL 13 -6.967 1.253 -16.796 100 H GLY 14 H GLY 14 -5.672 -1.099 -16.037 101 HA2 GLY 14 2HA GLY 14 -6.892 -2.697 -14.086 102 HA3 GLY 14 3HA GLY 14 -6.114 -3.245 -15.577 103 H LYS 15 H LYS 15 -3.395 -2.454 -15.129 104 HA LYS 15 HA LYS 15 -2.594 -4.529 -13.338 105 HB2 LYS 15 2HB LYS 15 -1.095 -2.372 -14.895 106 HB3 LYS 15 3HB LYS 15 -0.287 -3.589 -13.897 107 HG2 LYS 15 2HG LYS 15 -1.428 -5.382 -15.315 108 HG3 LYS 15 3HG LYS 15 -2.002 -4.090 -16.378 109 HD2 LYS 15 2HD LYS 15 0.444 -3.343 -16.622 110 HD3 LYS 15 3HD LYS 15 0.907 -4.816 -15.759 111 HE2 LYS 15 2HE LYS 15 -0.447 -6.126 -17.521 112 HE3 LYS 15 3HE LYS 15 -0.569 -4.614 -18.429 113 HZ1 LYS 15 3HZ LYS 15 1.902 -6.051 -17.719 114 HZ2 LYS 15 1HZ LYS 15 1.295 -5.795 -19.213 115 HZ3 LYS 15 2HZ LYS 15 1.899 -4.546 -18.353 116 H VAL 16 H VAL 16 -2.801 -0.920 -13.174 117 HA VAL 16 HA VAL 16 -1.079 -0.727 -10.941 118 HB VAL 16 HB VAL 16 -3.179 1.171 -12.100 119 HG11 VAL 16 1HG1 VAL 16 -2.072 2.935 -10.762 120 HG12 VAL 16 2HG1 VAL 16 -2.810 1.671 -9.722 121 HG13 VAL 16 3HG1 VAL 16 -1.034 1.691 -9.988 122 HG21 VAL 16 3HG2 VAL 16 -1.300 0.675 -13.605 123 HG22 VAL 16 1HG2 VAL 16 -1.203 2.362 -12.997 124 HG23 VAL 16 2HG2 VAL 16 -0.133 1.096 -12.307 125 H TRP 17 H TRP 17 -4.714 -0.744 -11.323 126 HA TRP 17 HA TRP 17 -5.225 -0.125 -8.623 127 HB2 TRP 17 2HB TRP 17 -6.888 -1.540 -10.765 128 HB3 TRP 17 3HB TRP 17 -7.521 -1.033 -9.193 129 HD1 TRP 17 HD1 TRP 17 -5.133 1.582 -10.272 130 HE1 TRP 17 HE1 TRP 17 -6.373 3.586 -11.337 131 HE3 TRP 17 HE3 TRP 17 -9.741 -0.590 -10.952 132 HZ2 TRP 17 HZ2 TRP 17 -8.938 4.176 -12.330 133 HZ3 TRP 17 HZ3 TRP 17 -11.557 0.769 -11.976 134 HH2 TRP 17 HH2 TRP 17 -11.171 3.087 -12.655 135 H ARG 18 H ARG 18 -4.817 -3.274 -10.383 136 HA ARG 18 HA ARG 18 -5.732 -4.856 -8.241 137 HB2 ARG 18 2HB ARG 18 -4.009 -5.431 -10.654 138 HB3 ARG 18 3HB ARG 18 -4.391 -6.664 -9.444 139 HG2 ARG 18 2HG ARG 18 -6.808 -6.348 -9.863 140 HG3 ARG 18 3HG ARG 18 -6.449 -5.081 -11.043 141 HD2 ARG 18 2HD ARG 18 -5.262 -6.697 -12.439 142 HD3 ARG 18 3HD ARG 18 -5.574 -7.969 -11.250 143 HE ARG 18 HE ARG 18 -8.063 -6.879 -11.995 144 HH11 ARG 18 1HH1 ARG 18 -5.434 -8.648 -13.513 145 HH12 ARG 18 2HH1 ARG 18 -6.473 -9.449 -14.644 146 HH21 ARG 18 1HH2 ARG 18 -9.382 -7.903 -13.457 147 HH22 ARG 18 2HH2 ARG 18 -8.740 -9.021 -14.613 148 H ALA 19 H ALA 19 -2.639 -3.210 -8.862 149 HA ALA 19 HA ALA 19 -1.090 -5.052 -7.308 150 HB1 ALA 19 3HB ALA 19 -0.525 -2.225 -8.330 151 HB2 ALA 19 1HB ALA 19 0.688 -3.347 -7.626 152 HB3 ALA 19 2HB ALA 19 -0.126 -3.761 -9.172 153 H TYR 20 H TYR 20 -3.432 -2.769 -6.382 154 HA TYR 20 HA TYR 20 -2.159 -1.134 -4.571 155 HB2 TYR 20 2HB TYR 20 -4.292 -0.566 -3.859 156 HB3 TYR 20 3HB TYR 20 -4.636 -1.245 -5.455 157 HD1 TYR 20 HD1 TYR 20 -5.494 -3.631 -5.624 158 HD2 TYR 20 HD2 TYR 20 -5.185 -1.558 -1.877 159 HE1 TYR 20 HE1 TYR 20 -7.059 -5.255 -4.600 160 HE2 TYR 20 HE2 TYR 20 -6.749 -3.180 -0.847 161 HH TYR 20 HH TYR 20 -8.004 -4.974 -1.136 162 H THR 21 H THR 21 -3.267 -4.555 -4.156 163 HA THR 21 HA THR 21 -1.445 -4.637 -1.891 164 HB THR 21 HB THR 21 -4.294 -5.763 -1.793 165 HG1 THR 21 HG1 THR 21 -4.420 -3.559 -1.370 166 HG21 THR 21 3HG2 THR 21 -2.039 -5.758 0.273 167 HG22 THR 21 1HG2 THR 21 -3.712 -6.354 0.542 168 HG23 THR 21 2HG2 THR 21 -2.640 -7.185 -0.636 169 H THR 22 H THR 22 -0.233 -5.667 -3.838 170 HA THR 22 HA THR 22 -1.019 -8.483 -4.027 171 HB THR 22 HB THR 22 1.060 -6.846 -5.573 172 HG1 THR 22 HG1 THR 22 -0.456 -7.261 -7.337 173 HG21 THR 22 3HG2 THR 22 0.178 -9.758 -5.891 174 HG22 THR 22 1HG2 THR 22 1.288 -8.868 -6.988 175 HG23 THR 22 2HG2 THR 22 1.773 -9.193 -5.289 176 HA PRO 23 HA PRO 23 1.998 -9.338 -0.877 177 HB2 PRO 23 2HB PRO 23 2.139 -12.112 -1.423 178 HB3 PRO 23 3HB PRO 23 0.826 -11.399 -0.477 179 HG2 PRO 23 2HG PRO 23 0.891 -12.110 -3.421 180 HG3 PRO 23 3HG PRO 23 -0.394 -12.384 -2.237 181 HD2 PRO 23 2HD PRO 23 -0.584 -10.326 -3.978 182 HD3 PRO 23 3HD PRO 23 -1.127 -10.114 -2.309 183 H GLU 24 H GLU 24 2.471 -10.590 -4.238 184 HA GLU 24 HA GLU 24 5.217 -11.093 -3.920 185 HB2 GLU 24 2HB GLU 24 3.491 -10.341 -6.321 186 HB3 GLU 24 3HB GLU 24 5.209 -10.743 -6.455 187 HG2 GLU 24 2HG GLU 24 4.787 -13.003 -5.551 188 HG3 GLU 24 3HG GLU 24 3.081 -12.611 -5.298 189 H ASP 25 H ASP 25 3.361 -8.074 -4.670 190 HA ASP 25 HA ASP 25 5.700 -6.516 -5.140 191 HB2 ASP 25 2HB ASP 25 2.816 -5.863 -4.386 192 HB3 ASP 25 3HB ASP 25 4.046 -4.618 -4.641 193 H ILE 26 H ILE 26 3.727 -7.352 -2.215 194 HA ILE 26 HA ILE 26 4.924 -5.468 -0.530 195 HB ILE 26 HB ILE 26 3.577 -8.162 -0.028 196 HG12 ILE 26 2HG1 ILE 26 2.651 -5.319 0.583 197 HG13 ILE 26 3HG1 ILE 26 2.273 -6.159 -0.926 198 HG21 ILE 26 1HG2 ILE 26 3.492 -7.533 2.362 199 HG22 ILE 26 2HG2 ILE 26 5.180 -7.749 1.788 200 HG23 ILE 26 3HG2 ILE 26 4.514 -6.097 2.017 201 HD11 ILE 26 3HD1 ILE 26 1.498 -7.091 1.874 202 HD12 ILE 26 1HD1 ILE 26 0.414 -6.323 0.666 203 HD13 ILE 26 2HD1 ILE 26 1.115 -7.944 0.341 204 H LYS 27 H LYS 27 5.952 -8.735 -1.635 205 HA LYS 27 HA LYS 27 7.964 -9.199 0.236 206 HB2 LYS 27 2HB LYS 27 7.663 -9.891 -2.719 207 HB3 LYS 27 3HB LYS 27 9.025 -10.456 -1.744 208 HG2 LYS 27 2HG LYS 27 7.476 -11.639 -0.216 209 HG3 LYS 27 3HG LYS 27 6.085 -11.024 -1.119 210 HD2 LYS 27 2HD LYS 27 6.943 -12.186 -3.185 211 HD3 LYS 27 3HD LYS 27 8.286 -12.840 -2.238 212 HE2 LYS 27 2HE LYS 27 6.667 -13.990 -0.724 213 HE3 LYS 27 3HE LYS 27 5.318 -13.324 -1.653 214 HZ1 LYS 27 3HZ LYS 27 7.383 -15.142 -2.719 215 HZ2 LYS 27 1HZ LYS 27 5.849 -15.554 -2.341 216 HZ3 LYS 27 2HZ LYS 27 6.138 -14.527 -3.577 217 H GLN 28 H GLN 28 7.801 -6.887 -2.492 218 HA GLN 28 HA GLN 28 10.634 -6.334 -2.331 219 HB2 GLN 28 2HB GLN 28 8.328 -4.897 -3.739 220 HB3 GLN 28 3HB GLN 28 10.041 -4.503 -3.928 221 HG2 GLN 28 2HG GLN 28 8.700 -7.135 -4.705 222 HG3 GLN 28 3HG GLN 28 9.215 -5.856 -5.812 223 HE21 GLN 28 1HE2 GLN 28 10.025 -8.819 -5.081 224 HE22 GLN 28 2HE2 GLN 28 11.756 -8.760 -5.111 225 H TRP 29 H TRP 29 7.772 -5.451 -0.546 226 HA TRP 29 HA TRP 29 8.971 -2.932 0.328 227 HB2 TRP 29 2HB TRP 29 6.339 -4.307 1.062 228 HB3 TRP 29 3HB TRP 29 6.847 -2.702 1.604 229 HD1 TRP 29 HD1 TRP 29 8.075 -2.391 -1.685 230 HE1 TRP 29 HE1 TRP 29 6.333 -1.485 -3.369 231 HE3 TRP 29 HE3 TRP 29 3.799 -3.289 1.020 232 HZ2 TRP 29 HZ2 TRP 29 3.541 -1.190 -3.539 233 HZ3 TRP 29 HZ3 TRP 29 1.606 -2.664 0.022 234 HH2 TRP 29 HH2 TRP 29 1.474 -1.646 -2.200 235 H ASN 30 H ASN 30 10.284 -5.606 0.930 236 HA ASN 30 HA ASN 30 9.422 -6.513 3.447 237 HB2 ASN 30 2HB ASN 30 11.400 -7.887 3.423 238 HB3 ASN 30 3HB ASN 30 10.658 -7.888 1.818 239 HD21 ASN 30 1HD2 ASN 30 12.111 -7.933 0.304 240 HD22 ASN 30 2HD2 ASN 30 13.573 -7.005 0.244 241 H ALA 31 H ALA 31 11.206 -6.697 5.343 242 HA ALA 31 HA ALA 31 11.440 -3.903 6.115 243 HB1 ALA 31 3HB ALA 31 11.769 -6.522 7.660 244 HB2 ALA 31 1HB ALA 31 11.792 -4.874 8.373 245 HB3 ALA 31 2HB ALA 31 10.295 -5.498 7.602 246 H ALA 32 H ALA 32 13.561 -6.853 5.793 247 HA ALA 32 HA ALA 32 15.846 -5.119 6.457 248 HB1 ALA 32 3HB ALA 32 15.527 -8.160 6.432 249 HB2 ALA 32 1HB ALA 32 17.020 -7.267 6.875 250 HB3 ALA 32 2HB ALA 32 15.543 -7.103 7.884 251 H SER 33 H SER 33 15.753 -8.198 4.538 252 HA SER 33 HA SER 33 16.541 -6.729 2.148 253 HB2 SER 33 2HB SER 33 18.667 -7.010 3.325 254 HB3 SER 33 3HB SER 33 18.333 -8.724 3.604 255 HG SER 33 HG SER 33 19.738 -8.377 1.797 256 H ASP 34 H ASP 34 16.477 -8.087 0.202 257 HA ASP 34 HA ASP 34 14.344 -9.982 0.410 258 HB2 ASP 34 2HB ASP 34 14.538 -10.094 -2.017 259 HB3 ASP 34 3HB ASP 34 14.569 -8.409 -1.482 260 H ASP 35 H ASP 35 17.558 -10.332 1.239 261 HA ASP 35 HA ASP 35 17.656 -13.083 0.184 262 HB2 ASP 35 2HB ASP 35 19.861 -11.244 1.227 263 HB3 ASP 35 3HB ASP 35 20.094 -12.930 0.747 264 H TRP 36 H TRP 36 17.766 -11.011 3.139 265 HA TRP 36 HA TRP 36 18.240 -13.451 4.723 266 HB2 TRP 36 2HB TRP 36 18.661 -10.501 5.414 267 HB3 TRP 36 3HB TRP 36 19.003 -11.869 6.482 268 HD1 TRP 36 HD1 TRP 36 20.531 -9.802 3.713 269 HE1 TRP 36 HE1 TRP 36 22.884 -10.705 3.135 270 HE3 TRP 36 HE3 TRP 36 20.351 -14.229 6.314 271 HZ2 TRP 36 HZ2 TRP 36 24.453 -12.971 3.697 272 HZ3 TRP 36 HZ3 TRP 36 22.336 -15.731 6.247 273 HH2 TRP 36 HH2 TRP 36 24.337 -15.122 4.976 274 H HIS 37 H HIS 37 15.699 -11.506 3.652 275 HA HIS 37 HA HIS 37 14.264 -11.847 6.210 276 HB2 HIS 37 2HB HIS 37 14.727 -9.454 5.477 277 HB3 HIS 37 3HB HIS 37 13.754 -9.764 4.033 278 HD2 HIS 37 HD2 HIS 37 13.255 -9.195 7.894 279 HE1 HIS 37 HE1 HIS 37 9.410 -9.308 6.017 280 H THR 38 H THR 38 12.313 -12.975 6.156 281 HA THR 38 HA THR 38 11.441 -13.847 3.498 282 HB THR 38 HB THR 38 10.821 -14.938 6.294 283 HG1 THR 38 HG1 THR 38 12.065 -16.767 5.459 284 HG21 THR 38 3HG2 THR 38 9.981 -15.946 3.532 285 HG22 THR 38 1HG2 THR 38 9.694 -16.787 5.092 286 HG23 THR 38 2HG2 THR 38 8.903 -15.209 4.765 287 H THR 39 H THR 39 9.595 -12.941 2.635 288 HA THR 39 HA THR 39 7.760 -11.672 4.548 289 HB THR 39 HB THR 39 8.518 -10.757 1.723 290 HG1 THR 39 HG1 THR 39 9.826 -10.358 3.920 291 HG21 THR 39 3HG2 THR 39 6.567 -9.566 3.754 292 HG22 THR 39 1HG2 THR 39 7.042 -8.823 2.189 293 HG23 THR 39 2HG2 THR 39 6.130 -10.371 2.209 294 H ALA 40 H ALA 40 5.633 -12.391 4.436 295 HA ALA 40 HA ALA 40 4.671 -13.286 1.820 296 HB1 ALA 40 3HB ALA 40 4.356 -14.840 4.436 297 HB2 ALA 40 1HB ALA 40 3.530 -15.218 2.886 298 HB3 ALA 40 2HB ALA 40 5.317 -15.347 3.006 299 H ALA 41 H ALA 41 2.422 -12.894 1.477 300 HA ALA 41 HA ALA 41 1.057 -11.498 3.672 301 HB1 ALA 41 3HB ALA 41 1.397 -10.485 0.808 302 HB2 ALA 41 1HB ALA 41 0.344 -9.748 2.062 303 HB3 ALA 41 2HB ALA 41 2.126 -9.768 2.285 304 H THR 42 H THR 42 -1.168 -11.891 3.773 305 HA THR 42 HA THR 42 -2.313 -13.241 1.431 306 HB THR 42 HB THR 42 -2.903 -13.783 4.388 307 HG1 THR 42 HG1 THR 42 -2.067 -15.914 3.799 308 HG21 THR 42 3HG2 THR 42 -4.094 -15.006 1.851 309 HG22 THR 42 1HG2 THR 42 -4.420 -15.545 3.532 310 HG23 THR 42 2HG2 THR 42 -4.937 -13.910 2.997 311 H VAL 43 H VAL 43 -4.258 -12.359 0.672 312 HA VAL 43 HA VAL 43 -5.447 -10.272 2.353 313 HB VAL 43 HB VAL 43 -3.894 -9.188 0.747 314 HG11 VAL 43 1HG1 VAL 43 -4.333 -9.326 -1.685 315 HG12 VAL 43 2HG1 VAL 43 -3.893 -10.925 -0.993 316 HG13 VAL 43 3HG1 VAL 43 -5.608 -10.554 -1.381 317 HG21 VAL 43 3HG2 VAL 43 -5.964 -8.028 1.388 318 HG22 VAL 43 1HG2 VAL 43 -5.525 -7.658 -0.314 319 HG23 VAL 43 2HG2 VAL 43 -6.843 -8.825 0.040 320 H ASP 44 H ASP 44 -7.707 -10.356 2.379 321 HA ASP 44 HA ASP 44 -9.025 -11.928 0.295 322 HB2 ASP 44 2HB ASP 44 -9.656 -12.218 2.693 323 HB3 ASP 44 3HB ASP 44 -10.108 -10.511 2.776 324 H LEU 45 H LEU 45 -9.497 -10.875 -1.608 325 HA LEU 45 HA LEU 45 -9.307 -7.995 -1.625 326 HB2 LEU 45 2HB LEU 45 -9.872 -10.043 -3.826 327 HB3 LEU 45 3HB LEU 45 -9.566 -8.321 -4.088 328 HG LEU 45 HG LEU 45 -7.566 -10.298 -2.868 329 HD11 LEU 45 1HD1 LEU 45 -6.367 -10.025 -5.008 330 HD12 LEU 45 2HD1 LEU 45 -8.002 -10.727 -5.254 331 HD13 LEU 45 3HD1 LEU 45 -7.701 -8.996 -5.627 332 HD21 LEU 45 3HD2 LEU 45 -7.313 -7.992 -2.025 333 HD22 LEU 45 1HD2 LEU 45 -5.968 -8.429 -3.132 334 HD23 LEU 45 2HD2 LEU 45 -7.299 -7.372 -3.710 335 H ARG 46 H ARG 46 -11.235 -7.469 -0.294 336 HA ARG 46 HA ARG 46 -13.436 -6.925 -2.000 337 HB2 ARG 46 2HB ARG 46 -15.172 -8.132 -0.899 338 HB3 ARG 46 3HB ARG 46 -13.972 -9.260 -1.541 339 HG2 ARG 46 2HG ARG 46 -12.989 -9.495 0.737 340 HG3 ARG 46 3HG ARG 46 -14.216 -8.389 1.371 341 HD2 ARG 46 2HD ARG 46 -15.980 -9.921 0.791 342 HD3 ARG 46 3HD ARG 46 -14.837 -10.995 -0.027 343 HE ARG 46 HE ARG 46 -14.130 -11.812 2.035 344 HH11 ARG 46 1HH1 ARG 46 -16.245 -9.052 2.551 345 HH12 ARG 46 2HH1 ARG 46 -16.467 -9.394 4.235 346 HH21 ARG 46 1HH2 ARG 46 -14.416 -12.230 4.194 347 HH22 ARG 46 2HH2 ARG 46 -15.418 -11.217 5.179 348 H GLU 47 H GLU 47 -15.028 -5.465 -0.929 349 HA GLU 47 HA GLU 47 -14.059 -3.915 1.206 350 HB2 GLU 47 2HB GLU 47 -15.795 -3.226 -0.457 351 HB3 GLU 47 3HB GLU 47 -16.921 -4.395 0.246 352 HG2 GLU 47 2HG GLU 47 -16.885 -3.179 2.400 353 HG3 GLU 47 3HG GLU 47 -15.686 -2.044 1.766 354 H GLY 48 H GLY 48 -14.033 -4.253 3.409 355 HA2 GLY 48 2HA GLY 48 -14.773 -5.108 5.411 356 HA3 GLY 48 3HA GLY 48 -15.890 -6.183 4.559 357 H GLY 49 H GLY 49 -13.022 -6.558 2.848 358 HA2 GLY 49 2HA GLY 49 -12.686 -9.176 3.908 359 HA3 GLY 49 3HA GLY 49 -11.720 -8.382 2.658 360 H ALA 50 H ALA 50 -10.671 -10.100 4.796 361 HA ALA 50 HA ALA 50 -9.349 -8.164 6.564 362 HB1 ALA 50 3HB ALA 50 -9.466 -11.221 6.568 363 HB2 ALA 50 1HB ALA 50 -8.639 -10.202 7.794 364 HB3 ALA 50 2HB ALA 50 -10.424 -10.118 7.614 365 H PHE 51 H PHE 51 -7.035 -8.057 6.743 366 HA PHE 51 HA PHE 51 -5.571 -9.558 4.673 367 HB2 PHE 51 2HB PHE 51 -5.808 -7.285 3.841 368 HB3 PHE 51 3HB PHE 51 -5.349 -6.602 5.406 369 HD1 PHE 51 HD1 PHE 51 -4.030 -8.787 2.652 370 HD2 PHE 51 HD2 PHE 51 -3.116 -6.060 5.841 371 HE1 PHE 51 HE1 PHE 51 -1.658 -8.752 1.943 372 HE2 PHE 51 HE2 PHE 51 -0.744 -6.023 5.130 373 HZ PHE 51 HZ PHE 51 -0.012 -7.371 3.181 374 H SER 52 H SER 52 -3.517 -10.341 5.311 375 HA SER 52 HA SER 52 -2.473 -9.453 7.888 376 HB2 SER 52 2HB SER 52 -3.931 -11.341 8.471 377 HB3 SER 52 3HB SER 52 -3.193 -12.342 7.214 378 HG SER 52 HG SER 52 -2.311 -12.762 9.313 379 H SER 53 H SER 53 -0.287 -9.165 7.730 380 HA SER 53 HA SER 53 1.083 -10.653 5.573 381 HB2 SER 53 2HB SER 53 0.963 -8.263 5.088 382 HB3 SER 53 3HB SER 53 1.556 -7.861 6.705 383 HG SER 53 HG SER 53 3.224 -7.778 5.104 384 H ARG 54 H ARG 54 2.731 -11.998 6.189 385 HA ARG 54 HA ARG 54 3.601 -11.753 8.990 386 HB2 ARG 54 2HB ARG 54 2.425 -13.816 8.552 387 HB3 ARG 54 3HB ARG 54 3.484 -14.177 7.182 388 HG2 ARG 54 2HG ARG 54 5.420 -14.375 8.682 389 HG3 ARG 54 3HG ARG 54 4.429 -13.904 10.069 390 HD2 ARG 54 2HD ARG 54 3.068 -15.903 9.813 391 HD3 ARG 54 3HD ARG 54 3.976 -16.363 8.367 392 HE ARG 54 HE ARG 54 5.807 -16.073 10.504 393 HH11 ARG 54 1HH1 ARG 54 3.134 -18.162 9.585 394 HH12 ARG 54 2HH1 ARG 54 3.786 -19.545 10.399 395 HH21 ARG 54 1HH2 ARG 54 6.623 -17.851 11.553 396 HH22 ARG 54 2HH2 ARG 54 5.787 -19.368 11.529 397 H MET 55 H MET 55 5.616 -10.911 9.275 398 HA MET 55 HA MET 55 7.582 -11.447 7.133 399 HB2 MET 55 2HB MET 55 7.255 -9.073 9.026 400 HB3 MET 55 3HB MET 55 8.693 -9.346 8.033 401 HG2 MET 55 2HG MET 55 7.239 -9.268 5.977 402 HG3 MET 55 3HG MET 55 5.851 -8.891 7.007 403 HE1 MET 55 3HE MET 55 5.537 -6.745 5.353 404 HE2 MET 55 1HE MET 55 6.801 -5.490 5.127 405 HE3 MET 55 2HE MET 55 7.059 -7.150 4.490 406 H GLU 56 H GLU 56 9.554 -12.369 7.715 407 HA GLU 56 HA GLU 56 10.148 -12.537 10.581 408 HB2 GLU 56 2HB GLU 56 10.118 -14.895 8.636 409 HB3 GLU 56 3HB GLU 56 10.757 -14.939 10.284 410 HG2 GLU 56 2HG GLU 56 8.465 -14.371 11.155 411 HG3 GLU 56 3HG GLU 56 7.847 -14.421 9.499 412 H ALA 57 H ALA 57 12.425 -12.662 11.052 413 HA ALA 57 HA ALA 57 14.203 -12.208 8.797 414 HB1 ALA 57 3HB ALA 57 14.683 -12.470 11.806 415 HB2 ALA 57 1HB ALA 57 15.916 -12.011 10.584 416 HB3 ALA 57 2HB ALA 57 14.508 -10.938 10.886 417 H LYS 58 H LYS 58 15.540 -13.725 7.856 418 HA LYS 58 HA LYS 58 14.944 -16.447 8.283 419 HB2 LYS 58 2HB LYS 58 17.152 -14.976 6.779 420 HB3 LYS 58 3HB LYS 58 17.009 -16.739 6.783 421 HG2 LYS 58 2HG LYS 58 14.674 -16.505 5.840 422 HG3 LYS 58 3HG LYS 58 14.925 -14.757 5.742 423 HD2 LYS 58 2HD LYS 58 16.934 -15.149 4.275 424 HD3 LYS 58 3HD LYS 58 16.623 -16.889 4.340 425 HE2 LYS 58 2HE LYS 58 14.362 -16.521 3.330 426 HE3 LYS 58 3HE LYS 58 14.677 -14.782 3.262 427 HZ1 LYS 58 3HZ LYS 58 16.100 -16.898 1.790 428 HZ2 LYS 58 1HZ LYS 58 15.192 -15.690 1.172 429 HZ3 LYS 58 2HZ LYS 58 16.635 -15.357 1.859 430 H ASP 59 H ASP 59 17.238 -14.235 9.833 431 HA ASP 59 HA ASP 59 18.882 -16.406 10.823 432 HB2 ASP 59 2HB ASP 59 20.115 -14.646 11.946 433 HB3 ASP 59 3HB ASP 59 19.829 -14.174 10.266 434 H GLY 60 H GLY 60 15.761 -15.229 11.586 435 HA2 GLY 60 2HA GLY 60 14.402 -16.069 13.171 436 HA3 GLY 60 3HA GLY 60 15.746 -17.039 13.786 437 H SER 61 H SER 61 16.394 -13.581 13.526 438 HA SER 61 HA SER 61 16.696 -13.514 16.403 439 HB2 SER 61 2HB SER 61 17.795 -11.397 15.984 440 HB3 SER 61 3HB SER 61 18.401 -12.601 14.840 441 HG SER 61 HG SER 61 17.222 -11.688 13.191 442 H MET 62 H MET 62 14.438 -12.249 13.914 443 HA MET 62 HA MET 62 12.721 -11.266 16.040 444 HB2 MET 62 2HB MET 62 12.551 -9.018 15.096 445 HB3 MET 62 3HB MET 62 14.210 -9.346 15.616 446 HG2 MET 62 2HG MET 62 14.504 -8.274 13.557 447 HG3 MET 62 3HG MET 62 14.676 -9.984 13.140 448 HE1 MET 62 3HE MET 62 12.545 -6.886 13.265 449 HE2 MET 62 1HE MET 62 11.239 -7.129 12.057 450 HE3 MET 62 2HE MET 62 11.105 -7.873 13.686 451 H GLY 63 H GLY 63 10.489 -10.883 15.274 452 HA2 GLY 63 2HA GLY 63 10.141 -11.272 12.371 453 HA3 GLY 63 3HA GLY 63 9.146 -12.182 13.516 454 H PHE 64 H PHE 64 7.590 -10.756 11.926 455 HA PHE 64 HA PHE 64 6.682 -8.553 13.585 456 HB2 PHE 64 2HB PHE 64 8.272 -7.421 12.109 457 HB3 PHE 64 3HB PHE 64 7.592 -8.219 10.686 458 HD1 PHE 64 HD1 PHE 64 6.628 -5.928 13.503 459 HD2 PHE 64 HD2 PHE 64 5.912 -7.165 9.452 460 HE1 PHE 64 HE1 PHE 64 5.035 -4.055 13.212 461 HE2 PHE 64 HE2 PHE 64 4.323 -5.289 9.160 462 HZ PHE 64 HZ PHE 64 3.883 -3.730 11.040 463 H ASP 65 H ASP 65 4.443 -8.344 13.511 464 HA ASP 65 HA ASP 65 3.092 -10.026 11.496 465 HB2 ASP 65 2HB ASP 65 3.128 -11.089 13.748 466 HB3 ASP 65 3HB ASP 65 2.398 -9.638 14.449 467 H PHE 66 H PHE 66 1.860 -8.776 10.155 468 HA PHE 66 HA PHE 66 0.675 -6.341 11.333 469 HB2 PHE 66 2HB PHE 66 2.376 -5.886 9.592 470 HB3 PHE 66 3HB PHE 66 1.529 -6.950 8.462 471 HD1 PHE 66 HD1 PHE 66 1.237 -3.770 10.388 472 HD2 PHE 66 HD2 PHE 66 -0.338 -6.180 7.199 473 HE1 PHE 66 HE1 PHE 66 -0.146 -1.862 9.627 474 HE2 PHE 66 HE2 PHE 66 -1.718 -4.271 6.439 475 HZ PHE 66 HZ PHE 66 -1.628 -2.110 7.656 476 H ALA 67 H ALA 67 -1.544 -6.158 11.311 477 HA ALA 67 HA ALA 67 -3.034 -7.894 9.483 478 HB1 ALA 67 3HB ALA 67 -3.434 -7.765 12.512 479 HB2 ALA 67 1HB ALA 67 -4.519 -8.595 11.346 480 HB3 ALA 67 2HB ALA 67 -2.835 -9.176 11.576 481 H GLY 68 H GLY 68 -5.130 -7.077 8.918 482 HA2 GLY 68 2HA GLY 68 -6.271 -4.896 10.370 483 HA3 GLY 68 3HA GLY 68 -5.493 -4.349 8.879 484 H THR 69 H THR 69 -8.127 -3.853 8.874 485 HA THR 69 HA THR 69 -9.141 -5.930 7.075 486 HB THR 69 HB THR 69 -11.424 -5.603 8.009 487 HG1 THR 69 HG1 THR 69 -11.586 -4.468 10.077 488 HG21 THR 69 3HG2 THR 69 -9.337 -6.383 10.105 489 HG22 THR 69 1HG2 THR 69 -11.081 -6.811 10.147 490 HG23 THR 69 2HG2 THR 69 -10.027 -7.460 8.845 491 H TYR 70 H TYR 70 -10.555 -5.118 5.373 492 HA TYR 70 HA TYR 70 -10.125 -2.300 4.812 493 HB2 TYR 70 2HB TYR 70 -11.428 -4.606 3.283 494 HB3 TYR 70 3HB TYR 70 -11.332 -2.952 2.666 495 HD1 TYR 70 HD1 TYR 70 -9.081 -1.934 2.163 496 HD2 TYR 70 HD2 TYR 70 -9.509 -6.068 3.251 497 HE1 TYR 70 HE1 TYR 70 -6.827 -2.404 1.259 498 HE2 TYR 70 HE2 TYR 70 -7.250 -6.538 2.355 499 HH TYR 70 HH TYR 70 -5.498 -4.195 0.446 500 H THR 71 H THR 71 -11.784 -0.722 4.572 501 HA THR 71 HA THR 71 -14.278 -1.521 5.898 502 HB THR 71 HB THR 71 -14.486 0.857 6.560 503 HG1 THR 71 HG1 THR 71 -12.886 2.355 6.020 504 HG21 THR 71 3HG2 THR 71 -11.754 -0.344 7.230 505 HG22 THR 71 1HG2 THR 71 -12.593 0.943 8.159 506 HG23 THR 71 2HG2 THR 71 -13.303 -0.704 8.065 507 H LYS 72 H LYS 72 -12.804 -0.086 2.987 508 HA LYS 72 HA LYS 72 -15.421 -0.031 1.734 509 HB2 LYS 72 2HB LYS 72 -15.159 2.228 2.807 510 HB3 LYS 72 3HB LYS 72 -13.661 2.464 1.898 511 HG2 LYS 72 2HG LYS 72 -14.882 2.395 -0.233 512 HG3 LYS 72 3HG LYS 72 -16.388 1.986 0.598 513 HD2 LYS 72 2HD LYS 72 -16.264 4.165 1.853 514 HD3 LYS 72 3HD LYS 72 -14.790 4.576 0.965 515 HE2 LYS 72 2HE LYS 72 -16.019 4.485 -1.185 516 HE3 LYS 72 3HE LYS 72 -17.491 3.971 -0.349 517 HZ1 LYS 72 3HZ LYS 72 -16.117 6.551 0.056 518 HZ2 LYS 72 1HZ LYS 72 -17.497 6.324 -0.787 519 HZ3 LYS 72 2HZ LYS 72 -17.476 6.077 0.827 520 H VAL 73 H VAL 73 -15.228 -0.764 -0.367 521 HA VAL 73 HA VAL 73 -12.755 -0.058 -1.755 522 HB VAL 73 HB VAL 73 -14.069 -2.824 -1.763 523 HG11 VAL 73 1HG1 VAL 73 -12.243 -3.455 -3.312 524 HG12 VAL 73 2HG1 VAL 73 -13.300 -2.181 -4.008 525 HG13 VAL 73 3HG1 VAL 73 -11.688 -1.748 -3.346 526 HG21 VAL 73 3HG2 VAL 73 -12.682 -2.413 0.225 527 HG22 VAL 73 1HG2 VAL 73 -11.888 -3.589 -0.876 528 HG23 VAL 73 2HG2 VAL 73 -11.320 -1.886 -0.819 529 H VAL 74 H VAL 74 -13.207 0.905 -3.721 530 HA VAL 74 HA VAL 74 -15.845 0.331 -4.875 531 HB VAL 74 HB VAL 74 -14.472 3.057 -4.636 532 HG11 VAL 74 1HG1 VAL 74 -16.514 3.941 -5.719 533 HG12 VAL 74 2HG1 VAL 74 -15.629 2.803 -6.789 534 HG13 VAL 74 3HG1 VAL 74 -17.117 2.264 -5.941 535 HG21 VAL 74 3HG2 VAL 74 -15.510 2.318 -2.535 536 HG22 VAL 74 1HG2 VAL 74 -16.446 3.662 -3.272 537 HG23 VAL 74 2HG2 VAL 74 -17.046 1.974 -3.400 538 H GLU 75 H GLU 75 -15.387 -0.763 -6.777 539 HA GLU 75 HA GLU 75 -14.460 -1.242 -8.749 540 HB2 GLU 75 2HB GLU 75 -14.353 1.810 -8.877 541 HB3 GLU 75 3HB GLU 75 -14.187 0.731 -10.268 542 HG2 GLU 75 2HG GLU 75 -16.493 -0.143 -9.856 543 HG3 GLU 75 3HG GLU 75 -16.658 0.954 -8.478 544 H ASN 76 H ASN 76 -12.521 -1.258 -6.548 545 HA ASN 76 HA ASN 76 -10.350 -1.190 -6.122 546 HB2 ASN 76 2HB ASN 76 -10.087 -1.445 -9.142 547 HB3 ASN 76 3HB ASN 76 -8.838 -1.817 -7.947 548 HD21 ASN 76 1HD2 ASN 76 -11.101 -3.117 -9.903 549 HD22 ASN 76 2HD2 ASN 76 -11.309 -4.646 -9.117 550 H LYS 77 H LYS 77 -11.546 1.455 -6.316 551 HA LYS 77 HA LYS 77 -9.417 2.979 -7.659 552 HB2 LYS 77 2HB LYS 77 -11.420 2.727 -9.155 553 HB3 LYS 77 3HB LYS 77 -12.425 3.464 -7.900 554 HG2 LYS 77 2HG LYS 77 -11.173 5.575 -8.071 555 HG3 LYS 77 3HG LYS 77 -10.039 4.851 -9.217 556 HD2 LYS 77 2HD LYS 77 -11.841 4.513 -10.867 557 HD3 LYS 77 3HD LYS 77 -13.055 5.074 -9.709 558 HE2 LYS 77 2HE LYS 77 -12.537 6.903 -11.227 559 HE3 LYS 77 3HE LYS 77 -11.913 7.313 -9.624 560 HZ1 LYS 77 3HZ LYS 77 -10.181 6.031 -11.615 561 HZ2 LYS 77 1HZ LYS 77 -10.413 7.647 -11.625 562 HZ3 LYS 77 2HZ LYS 77 -9.755 6.924 -10.317 563 H ARG 78 H ARG 78 -12.119 2.851 -5.237 564 HA ARG 78 HA ARG 78 -10.477 4.749 -3.700 565 HB2 ARG 78 2HB ARG 78 -13.504 4.644 -3.775 566 HB3 ARG 78 3HB ARG 78 -12.537 5.580 -2.628 567 HG2 ARG 78 2HG ARG 78 -12.335 5.939 -5.644 568 HG3 ARG 78 3HG ARG 78 -13.493 6.826 -4.644 569 HD2 ARG 78 2HD ARG 78 -11.601 7.702 -3.300 570 HD3 ARG 78 3HD ARG 78 -10.479 6.878 -4.391 571 HE ARG 78 HE ARG 78 -12.010 9.308 -4.933 572 HH11 ARG 78 1HH1 ARG 78 -10.002 6.749 -6.265 573 HH12 ARG 78 2HH1 ARG 78 -9.619 7.639 -7.700 574 HH21 ARG 78 1HH2 ARG 78 -11.500 10.441 -6.771 575 HH22 ARG 78 2HH2 ARG 78 -10.478 9.759 -7.992 576 H ILE 79 H ILE 79 -9.590 3.704 -1.965 577 HA ILE 79 HA ILE 79 -11.132 1.470 -0.857 578 HB ILE 79 HB ILE 79 -8.177 1.460 -1.666 579 HG12 ILE 79 2HG1 ILE 79 -10.510 -0.276 -2.596 580 HG13 ILE 79 3HG1 ILE 79 -9.874 1.112 -3.490 581 HG21 ILE 79 1HG2 ILE 79 -8.149 -0.857 -0.801 582 HG22 ILE 79 2HG2 ILE 79 -8.503 0.336 0.494 583 HG23 ILE 79 3HG2 ILE 79 -9.831 -0.650 -0.206 584 HD11 ILE 79 3HD1 ILE 79 -8.314 -1.407 -2.763 585 HD12 ILE 79 1HD1 ILE 79 -8.985 -0.995 -4.377 586 HD13 ILE 79 2HD1 ILE 79 -7.668 0.002 -3.670 587 H GLU 80 H GLU 80 -11.286 1.607 1.362 588 HA GLU 80 HA GLU 80 -9.196 3.182 2.728 589 HB2 GLU 80 2HB GLU 80 -11.454 4.233 2.750 590 HB3 GLU 80 3HB GLU 80 -12.135 2.762 3.457 591 HG2 GLU 80 2HG GLU 80 -10.673 3.072 5.470 592 HG3 GLU 80 3HG GLU 80 -10.040 4.566 4.765 593 H TYR 81 H TYR 81 -8.153 2.248 4.514 594 HA TYR 81 HA TYR 81 -8.969 -0.502 5.159 595 HB2 TYR 81 2HB TYR 81 -7.328 -0.712 3.368 596 HB3 TYR 81 3HB TYR 81 -6.244 0.442 4.154 597 HD1 TYR 81 HD1 TYR 81 -7.889 -2.894 4.713 598 HD2 TYR 81 HD2 TYR 81 -4.566 -0.329 5.603 599 HE1 TYR 81 HE1 TYR 81 -6.780 -4.755 5.910 600 HE2 TYR 81 HE2 TYR 81 -3.450 -2.183 6.803 601 HH TYR 81 HH TYR 81 -3.461 -4.397 7.202 602 H ALA 82 H ALA 82 -8.407 -1.182 7.276 603 HA ALA 82 HA ALA 82 -7.237 0.954 8.945 604 HB1 ALA 82 3HB ALA 82 -9.547 -0.951 9.572 605 HB2 ALA 82 1HB ALA 82 -8.804 0.209 10.724 606 HB3 ALA 82 2HB ALA 82 -9.675 0.816 9.275 607 H PHE 83 H PHE 83 -5.685 0.338 10.458 608 HA PHE 83 HA PHE 83 -5.317 -2.511 10.951 609 HB2 PHE 83 2HB PHE 83 -2.897 -2.353 10.399 610 HB3 PHE 83 3HB PHE 83 -3.933 -2.160 8.979 611 HD1 PHE 83 HD1 PHE 83 -4.192 0.047 7.898 612 HD2 PHE 83 HD2 PHE 83 -1.541 -0.521 11.230 613 HE1 PHE 83 HE1 PHE 83 -3.064 2.186 7.366 614 HE2 PHE 83 HE2 PHE 83 -0.419 1.621 10.701 615 HZ PHE 83 HZ PHE 83 -1.177 2.979 8.771 616 H GLY 84 H GLY 84 -4.685 -2.887 13.069 617 HA2 GLY 84 2HA GLY 84 -4.091 -2.446 15.183 618 HA3 GLY 84 3HA GLY 84 -2.953 -1.266 14.520 619 H ASP 85 H ASP 85 -3.192 0.721 15.498 620 HA ASP 85 HA ASP 85 -5.961 1.621 15.977 621 HB2 ASP 85 2HB ASP 85 -4.970 3.164 17.628 622 HB3 ASP 85 3HB ASP 85 -4.643 1.473 18.029 623 H ARG 86 H ARG 86 -4.279 1.687 13.383 624 HA ARG 86 HA ARG 86 -4.643 4.572 12.990 625 HB2 ARG 86 2HB ARG 86 -2.266 2.947 12.053 626 HB3 ARG 86 3HB ARG 86 -2.683 4.557 11.453 627 HG2 ARG 86 2HG ARG 86 -2.102 3.904 14.375 628 HG3 ARG 86 3HG ARG 86 -0.900 4.506 13.227 629 HD2 ARG 86 2HD ARG 86 -2.314 6.520 12.872 630 HD3 ARG 86 3HD ARG 86 -3.419 5.923 14.117 631 HE ARG 86 HE ARG 86 -0.800 7.136 14.517 632 HH11 ARG 86 1HH1 ARG 86 -3.386 5.254 15.975 633 HH12 ARG 86 2HH1 ARG 86 -2.894 5.619 17.595 634 HH21 ARG 86 1HH2 ARG 86 -0.190 7.606 16.600 635 HH22 ARG 86 2HH2 ARG 86 -1.060 6.969 17.955 636 H THR 87 H THR 87 -4.850 5.117 10.570 637 HA THR 87 HA THR 87 -6.007 2.838 9.134 638 HB THR 87 HB THR 87 -7.858 4.289 8.358 639 HG1 THR 87 HG1 THR 87 -8.146 6.366 9.448 640 HG21 THR 87 3HG2 THR 87 -7.583 4.223 11.403 641 HG22 THR 87 1HG2 THR 87 -9.114 4.434 10.488 642 HG23 THR 87 2HG2 THR 87 -8.199 2.893 10.364 643 H ALA 88 H ALA 88 -6.146 3.221 6.725 644 HA ALA 88 HA ALA 88 -4.772 5.590 5.747 645 HB1 ALA 88 3HB ALA 88 -3.823 2.747 5.148 646 HB2 ALA 88 1HB ALA 88 -3.251 4.239 4.328 647 HB3 ALA 88 2HB ALA 88 -2.928 3.996 6.078 648 H LYS 89 H LYS 89 -5.277 6.068 3.522 649 HA LYS 89 HA LYS 89 -7.283 4.283 2.322 650 HB2 LYS 89 2HB LYS 89 -8.427 6.135 3.554 651 HB3 LYS 89 3HB LYS 89 -7.506 7.316 2.613 652 HG2 LYS 89 2HG LYS 89 -8.565 6.483 0.518 653 HG3 LYS 89 3HG LYS 89 -9.474 5.285 1.448 654 HD2 LYS 89 2HD LYS 89 -10.586 7.107 2.737 655 HD3 LYS 89 3HD LYS 89 -9.653 8.319 1.849 656 HE2 LYS 89 2HE LYS 89 -10.678 7.548 -0.295 657 HE3 LYS 89 3HE LYS 89 -11.600 6.320 0.582 658 HZ1 LYS 89 3HZ LYS 89 -11.836 9.234 0.986 659 HZ2 LYS 89 1HZ LYS 89 -12.903 8.290 0.188 660 HZ3 LYS 89 2HZ LYS 89 -12.687 8.100 1.795 661 H VAL 90 H VAL 90 -6.979 3.958 0.131 662 HA VAL 90 HA VAL 90 -4.968 5.698 -1.124 663 HB VAL 90 HB VAL 90 -4.141 3.408 -0.868 664 HG11 VAL 90 1HG1 VAL 90 -5.304 1.494 -1.921 665 HG12 VAL 90 2HG1 VAL 90 -6.301 2.257 -0.637 666 HG13 VAL 90 3HG1 VAL 90 -6.668 2.574 -2.366 667 HG21 VAL 90 3HG2 VAL 90 -3.550 4.609 -2.929 668 HG22 VAL 90 1HG2 VAL 90 -3.719 2.848 -3.241 669 HG23 VAL 90 2HG2 VAL 90 -5.026 3.977 -3.735 670 H GLU 91 H GLU 91 -5.493 6.690 -3.094 671 HA GLU 91 HA GLU 91 -8.068 5.882 -4.289 672 HB2 GLU 91 2HB GLU 91 -6.925 8.703 -3.984 673 HB3 GLU 91 3HB GLU 91 -8.406 8.281 -4.853 674 HG2 GLU 91 2HG GLU 91 -9.369 7.396 -2.691 675 HG3 GLU 91 3HG GLU 91 -7.914 7.954 -1.854 676 H PHE 92 H PHE 92 -8.190 5.977 -6.602 677 HA PHE 92 HA PHE 92 -5.529 6.197 -7.864 678 HB2 PHE 92 2HB PHE 92 -7.883 4.344 -8.478 679 HB3 PHE 92 3HB PHE 92 -6.448 4.506 -9.498 680 HD1 PHE 92 HD1 PHE 92 -7.742 3.277 -6.261 681 HD2 PHE 92 HD2 PHE 92 -4.308 3.567 -8.826 682 HE1 PHE 92 HE1 PHE 92 -6.582 1.565 -4.902 683 HE2 PHE 92 HE2 PHE 92 -3.151 1.850 -7.469 684 HZ PHE 92 HZ PHE 92 -4.284 0.848 -5.501 685 H LEU 93 H LEU 93 -5.332 7.675 -9.508 686 HA LEU 93 HA LEU 93 -7.848 8.623 -10.734 687 HB2 LEU 93 2HB LEU 93 -6.895 10.371 -9.330 688 HB3 LEU 93 3HB LEU 93 -5.282 10.113 -10.008 689 HG LEU 93 HG LEU 93 -6.187 10.874 -12.269 690 HD11 LEU 93 1HD1 LEU 93 -8.314 12.123 -12.266 691 HD12 LEU 93 2HD1 LEU 93 -8.564 10.396 -11.840 692 HD13 LEU 93 3HD1 LEU 93 -8.592 11.650 -10.555 693 HD21 LEU 93 3HD2 LEU 93 -4.905 12.354 -10.765 694 HD22 LEU 93 1HD2 LEU 93 -6.187 13.264 -11.634 695 HD23 LEU 93 2HD2 LEU 93 -6.420 12.808 -9.912 696 H GLU 94 H GLU 94 -8.003 8.393 -12.936 697 HA GLU 94 HA GLU 94 -5.720 7.303 -14.341 698 HB2 GLU 94 2HB GLU 94 -8.022 6.448 -14.701 699 HB3 GLU 94 3HB GLU 94 -8.546 8.050 -15.237 700 HG2 GLU 94 2HG GLU 94 -6.949 7.916 -17.161 701 HG3 GLU 94 3HG GLU 94 -6.460 6.301 -16.631 702 H ALA 95 H ALA 95 -4.187 8.544 -15.340 703 HA ALA 95 HA ALA 95 -5.030 11.231 -16.228 704 HB1 ALA 95 3HB ALA 95 -2.272 10.145 -15.471 705 HB2 ALA 95 1HB ALA 95 -2.617 11.801 -16.074 706 HB3 ALA 95 2HB ALA 95 -3.280 11.265 -14.494 707 HA PRO 96 HA PRO 96 -4.151 10.113 -20.427 708 HB2 PRO 96 2HB PRO 96 -2.964 12.466 -21.335 709 HB3 PRO 96 3HB PRO 96 -4.704 12.364 -21.037 710 HG2 PRO 96 2HG PRO 96 -2.521 13.457 -19.230 711 HG3 PRO 96 3HG PRO 96 -4.100 14.156 -19.609 712 HD2 PRO 96 2HD PRO 96 -3.719 12.809 -17.284 713 HD3 PRO 96 3HD PRO 96 -5.258 12.682 -18.145 714 H GLN 97 H GLN 97 -1.505 11.188 -18.314 715 HA GLN 97 HA GLN 97 0.404 10.129 -20.266 716 HB2 GLN 97 2HB GLN 97 0.790 11.622 -17.622 717 HB3 GLN 97 3HB GLN 97 2.090 11.117 -18.709 718 HG2 GLN 97 2HG GLN 97 -0.121 13.126 -19.342 719 HG3 GLN 97 3HG GLN 97 1.573 13.501 -18.997 720 HE21 GLN 97 1HE2 GLN 97 -0.436 13.595 -21.441 721 HE22 GLN 97 2HE2 GLN 97 0.550 13.056 -22.759 722 H GLY 98 H GLY 98 -1.308 9.245 -17.307 723 HA2 GLY 98 2HA GLY 98 -0.198 6.680 -17.189 724 HA3 GLY 98 3HA GLY 98 0.716 7.714 -16.082 725 H VAL 99 H VAL 99 -0.258 6.119 -14.436 726 HA VAL 99 HA VAL 99 -2.929 7.087 -13.683 727 HB VAL 99 HB VAL 99 -1.519 4.463 -12.976 728 HG11 VAL 99 1HG1 VAL 99 -3.667 3.851 -11.908 729 HG12 VAL 99 2HG1 VAL 99 -2.915 5.283 -11.126 730 HG13 VAL 99 3HG1 VAL 99 -4.300 5.496 -12.250 731 HG21 VAL 99 3HG2 VAL 99 -2.316 4.528 -15.300 732 HG22 VAL 99 1HG2 VAL 99 -3.321 3.417 -14.311 733 HG23 VAL 99 2HG2 VAL 99 -3.942 5.046 -14.741 734 H THR 100 H THR 100 -3.107 8.220 -11.753 735 HA THR 100 HA THR 100 -0.631 8.474 -10.228 736 HB THR 100 HB THR 100 -3.191 10.154 -10.301 737 HG1 THR 100 HG1 THR 100 -0.457 10.753 -11.110 738 HG21 THR 100 3HG2 THR 100 -0.594 10.581 -8.744 739 HG22 THR 100 1HG2 THR 100 -1.956 11.745 -8.857 740 HG23 THR 100 2HG2 THR 100 -2.193 10.161 -8.044 741 H VAL 101 H VAL 101 -0.431 7.537 -8.210 742 HA VAL 101 HA VAL 101 -2.931 6.587 -6.987 743 HB VAL 101 HB VAL 101 -0.082 5.491 -6.720 744 HG11 VAL 101 1HG1 VAL 101 -1.163 3.634 -5.488 745 HG12 VAL 101 2HG1 VAL 101 -1.401 5.211 -4.662 746 HG13 VAL 101 3HG1 VAL 101 -2.742 4.481 -5.607 747 HG21 VAL 101 3HG2 VAL 101 -1.057 5.029 -8.928 748 HG22 VAL 101 1HG2 VAL 101 -0.964 3.530 -7.944 749 HG23 VAL 101 2HG2 VAL 101 -2.537 4.372 -8.151 750 H ARG 102 H ARG 102 -3.486 7.514 -5.036 751 HA ARG 102 HA ARG 102 -1.320 8.899 -3.598 752 HB2 ARG 102 2HB ARG 102 -2.792 10.506 -4.653 753 HB3 ARG 102 3HB ARG 102 -4.210 9.740 -3.925 754 HG2 ARG 102 2HG ARG 102 -3.351 10.312 -1.661 755 HG3 ARG 102 3HG ARG 102 -1.943 11.090 -2.397 756 HD2 ARG 102 2HD ARG 102 -4.819 11.907 -2.854 757 HD3 ARG 102 3HD ARG 102 -3.729 12.642 -1.671 758 HE ARG 102 HE ARG 102 -2.370 12.877 -4.053 759 HH11 ARG 102 1HH1 ARG 102 -5.595 13.800 -3.004 760 HH12 ARG 102 2HH1 ARG 102 -5.658 15.188 -4.039 761 HH21 ARG 102 1HH2 ARG 102 -2.470 14.650 -5.381 762 HH22 ARG 102 2HH2 ARG 102 -3.865 15.676 -5.405 763 H VAL 103 H VAL 103 -0.993 8.294 -1.484 764 HA VAL 103 HA VAL 103 -3.182 6.782 -0.232 765 HB VAL 103 HB VAL 103 -0.162 6.359 0.047 766 HG11 VAL 103 1HG1 VAL 103 -0.780 4.452 1.501 767 HG12 VAL 103 2HG1 VAL 103 -1.331 6.019 2.184 768 HG13 VAL 103 3HG1 VAL 103 -2.508 4.926 1.381 769 HG21 VAL 103 3HG2 VAL 103 -1.069 5.473 -2.057 770 HG22 VAL 103 1HG2 VAL 103 -0.628 4.139 -0.939 771 HG23 VAL 103 2HG2 VAL 103 -2.351 4.600 -1.152 772 H SER 104 H SER 104 -3.964 7.754 1.615 773 HA SER 104 HA SER 104 -2.096 9.518 3.080 774 HB2 SER 104 2HB SER 104 -3.878 10.770 1.891 775 HB3 SER 104 3HB SER 104 -5.111 9.780 2.683 776 HG SER 104 HG SER 104 -3.432 11.805 3.747 777 H PHE 105 H PHE 105 -1.876 9.148 5.283 778 HA PHE 105 HA PHE 105 -3.666 7.189 6.510 779 HB2 PHE 105 2HB PHE 105 -1.798 5.760 7.180 780 HB3 PHE 105 3HB PHE 105 -1.899 5.851 5.417 781 HD1 PHE 105 HD1 PHE 105 -0.256 7.249 4.142 782 HD2 PHE 105 HD2 PHE 105 0.121 6.568 8.368 783 HE1 PHE 105 HE1 PHE 105 2.117 7.950 4.044 784 HE2 PHE 105 HE2 PHE 105 2.492 7.275 8.268 785 HZ PHE 105 HZ PHE 105 3.494 7.964 6.108 786 H VAL 106 H VAL 106 -3.210 6.973 8.914 787 HA VAL 106 HA VAL 106 -2.596 9.617 9.921 788 HB VAL 106 HB VAL 106 -3.599 7.086 11.326 789 HG11 VAL 106 1HG1 VAL 106 -4.206 8.624 13.168 790 HG12 VAL 106 2HG1 VAL 106 -2.436 8.611 12.865 791 HG13 VAL 106 3HG1 VAL 106 -3.436 9.983 12.281 792 HG21 VAL 106 3HG2 VAL 106 -5.189 7.932 9.654 793 HG22 VAL 106 1HG2 VAL 106 -5.791 8.233 11.320 794 HG23 VAL 106 2HG2 VAL 106 -5.080 9.578 10.365 795 H ALA 107 H ALA 107 -0.798 10.152 11.200 796 HA ALA 107 HA ALA 107 1.415 8.342 10.960 797 HB1 ALA 107 3HB ALA 107 1.109 11.066 12.313 798 HB2 ALA 107 1HB ALA 107 2.660 10.209 12.020 799 HB3 ALA 107 2HB ALA 107 1.667 10.769 10.632 800 H GLU 108 H GLU 108 2.593 7.292 12.628 801 HA GLU 108 HA GLU 108 1.101 6.811 15.060 802 HB2 GLU 108 2HB GLU 108 3.835 5.855 14.085 803 HB3 GLU 108 3HB GLU 108 3.026 5.294 15.554 804 HG2 GLU 108 2HG GLU 108 1.178 4.346 14.217 805 HG3 GLU 108 3HG GLU 108 1.893 4.984 12.730 806 H THR 109 H THR 109 1.596 7.562 17.134 807 HA THR 109 HA THR 109 3.146 9.939 17.234 808 HB THR 109 HB THR 109 2.582 9.883 19.670 809 HG1 THR 109 HG1 THR 109 1.187 8.116 20.387 810 HG21 THR 109 3HG2 THR 109 0.249 9.212 17.809 811 HG22 THR 109 1HG2 THR 109 0.122 10.026 19.405 812 HG23 THR 109 2HG2 THR 109 0.980 10.835 18.050 813 H GLU 110 H GLU 110 3.859 6.514 17.677 814 HA GLU 110 HA GLU 110 5.985 6.880 19.553 815 HB2 GLU 110 2HB GLU 110 5.189 4.604 17.675 816 HB3 GLU 110 3HB GLU 110 6.533 4.503 18.820 817 HG2 GLU 110 2HG GLU 110 4.977 4.843 20.717 818 HG3 GLU 110 3HG GLU 110 3.622 5.026 19.596 819 H TYR 111 H TYR 111 5.651 7.468 16.125 820 HA TYR 111 HA TYR 111 8.588 7.612 15.942 821 HB2 TYR 111 2HB TYR 111 6.616 6.695 13.790 822 HB3 TYR 111 3HB TYR 111 8.345 6.965 13.541 823 HD1 TYR 111 HD1 TYR 111 10.011 5.404 14.460 824 HD2 TYR 111 HD2 TYR 111 5.809 4.740 15.035 825 HE1 TYR 111 HE1 TYR 111 10.476 3.069 15.140 826 HE2 TYR 111 HE2 TYR 111 6.268 2.405 15.722 827 HH TYR 111 HH TYR 111 7.794 0.851 16.067 828 HA PRO 112 HA PRO 112 7.868 11.771 14.514 829 HB2 PRO 112 2HB PRO 112 10.108 12.060 12.892 830 HB3 PRO 112 3HB PRO 112 10.249 12.066 14.655 831 HG2 PRO 112 2HG PRO 112 10.707 9.775 12.714 832 HG3 PRO 112 3HG PRO 112 11.700 10.280 14.087 833 HD2 PRO 112 2HD PRO 112 9.980 8.184 14.311 834 HD3 PRO 112 3HD PRO 112 10.258 9.272 15.678 835 H VAL 113 H VAL 113 7.036 12.962 12.811 836 HA VAL 113 HA VAL 113 5.571 11.454 11.012 837 HB VAL 113 HB VAL 113 5.130 13.648 9.879 838 HG11 VAL 113 1HG1 VAL 113 4.105 14.765 11.836 839 HG12 VAL 113 2HG1 VAL 113 3.839 12.989 11.864 840 HG13 VAL 113 3HG1 VAL 113 5.079 13.728 12.932 841 HG21 VAL 113 3HG2 VAL 113 7.377 14.623 10.086 842 HG22 VAL 113 1HG2 VAL 113 6.142 15.705 10.813 843 HG23 VAL 113 2HG2 VAL 113 7.191 14.702 11.871 844 H GLU 114 H GLU 114 8.888 12.788 10.775 845 HA GLU 114 HA GLU 114 9.145 12.610 7.978 846 HB2 GLU 114 2HB GLU 114 11.135 12.415 10.286 847 HB3 GLU 114 3HB GLU 114 11.625 12.400 8.586 848 HG2 GLU 114 2HG GLU 114 10.677 14.648 8.246 849 HG3 GLU 114 3HG GLU 114 10.037 14.664 9.895 850 H GLN 115 H GLN 115 9.642 10.190 10.647 851 HA GLN 115 HA GLN 115 10.739 8.213 8.949 852 HB2 GLN 115 2HB GLN 115 10.981 8.268 11.430 853 HB3 GLN 115 3HB GLN 115 9.244 7.993 11.610 854 HG2 GLN 115 2HG GLN 115 10.432 5.906 11.964 855 HG3 GLN 115 3HG GLN 115 9.471 5.788 10.484 856 HE21 GLN 115 1HE2 GLN 115 10.589 4.444 9.183 857 HE22 GLN 115 2HE2 GLN 115 12.255 4.619 8.745 858 H GLN 116 H GLN 116 7.354 9.032 9.972 859 HA GLN 116 HA GLN 116 6.182 6.703 8.904 860 HB2 GLN 116 2HB GLN 116 5.149 9.520 9.481 861 HB3 GLN 116 3HB GLN 116 4.103 8.225 8.882 862 HG2 GLN 116 2HG GLN 116 5.736 8.069 11.458 863 HG3 GLN 116 3HG GLN 116 4.038 8.557 11.377 864 HE21 GLN 116 1HE2 GLN 116 5.798 6.087 12.334 865 HE22 GLN 116 2HE2 GLN 116 4.822 4.735 11.865 866 H GLN 117 H GLN 117 6.747 10.027 7.497 867 HA GLN 117 HA GLN 117 5.482 9.458 5.050 868 HB2 GLN 117 2HB GLN 117 5.998 11.740 5.893 869 HB3 GLN 117 3HB GLN 117 7.731 11.411 5.758 870 HG2 GLN 117 2HG GLN 117 7.488 11.133 3.296 871 HG3 GLN 117 3HG GLN 117 5.754 11.458 3.429 872 HE21 GLN 117 1HE2 GLN 117 6.718 13.126 1.779 873 HE22 GLN 117 2HE2 GLN 117 7.105 14.680 2.439 874 H GLN 118 H GLN 118 8.946 9.146 6.150 875 HA GLN 118 HA GLN 118 9.943 8.593 3.576 876 HB2 GLN 118 2HB GLN 118 11.279 9.372 5.555 877 HB3 GLN 118 3HB GLN 118 11.018 7.805 6.332 878 HG2 GLN 118 2HG GLN 118 13.224 7.837 5.332 879 HG3 GLN 118 3HG GLN 118 12.213 6.680 4.457 880 HE21 GLN 118 1HE2 GLN 118 12.946 6.711 2.407 881 HE22 GLN 118 2HE2 GLN 118 13.141 8.124 1.426 882 H GLY 119 H GLY 119 8.667 6.465 6.238 883 HA2 GLY 119 2HA GLY 119 9.574 4.041 5.150 884 HA3 GLY 119 3HA GLY 119 8.232 4.268 6.280 885 H TRP 120 H TRP 120 6.385 5.800 4.761 886 HA TRP 120 HA TRP 120 5.303 3.804 3.060 887 HB2 TRP 120 2HB TRP 120 4.604 6.491 4.106 888 HB3 TRP 120 3HB TRP 120 4.027 6.222 2.456 889 HD1 TRP 120 HD1 TRP 120 1.841 4.812 2.191 890 HE1 TRP 120 HE1 TRP 120 0.349 3.439 3.798 891 HE3 TRP 120 HE3 TRP 120 4.846 4.900 6.356 892 HZ2 TRP 120 HZ2 TRP 120 0.420 2.521 6.456 893 HZ3 TRP 120 HZ3 TRP 120 4.065 3.745 8.410 894 HH2 TRP 120 HH2 TRP 120 1.882 2.567 8.456 895 H GLN 121 H GLN 121 7.281 6.776 2.504 896 HA GLN 121 HA GLN 121 6.860 6.865 -0.286 897 HB2 GLN 121 2HB GLN 121 7.754 8.726 1.150 898 HB3 GLN 121 3HB GLN 121 9.241 7.801 1.392 899 HG2 GLN 121 2HG GLN 121 9.639 9.455 -0.323 900 HG3 GLN 121 3HG GLN 121 9.656 7.855 -1.077 901 HE21 GLN 121 1HE2 GLN 121 8.780 7.966 -3.048 902 HE22 GLN 121 2HE2 GLN 121 7.346 8.833 -3.485 903 H ALA 122 H ALA 122 9.246 5.117 1.811 904 HA ALA 122 HA ALA 122 11.001 4.428 -0.274 905 HB1 ALA 122 3HB ALA 122 10.389 3.050 2.387 906 HB2 ALA 122 1HB ALA 122 11.819 2.735 1.347 907 HB3 ALA 122 2HB ALA 122 11.603 4.345 2.112 908 H ILE 123 H ILE 123 8.136 2.681 1.155 909 HA ILE 123 HA ILE 123 8.505 0.450 -0.565 910 HB ILE 123 HB ILE 123 6.271 -0.240 0.256 911 HG12 ILE 123 2HG1 ILE 123 6.221 2.468 1.672 912 HG13 ILE 123 3HG1 ILE 123 5.280 2.071 0.227 913 HG21 ILE 123 1HG2 ILE 123 6.802 -0.337 2.670 914 HG22 ILE 123 2HG2 ILE 123 8.244 -0.679 1.654 915 HG23 ILE 123 3HG2 ILE 123 8.059 0.925 2.440 916 HD11 ILE 123 3HD1 ILE 123 5.060 0.681 2.935 917 HD12 ILE 123 1HD1 ILE 123 3.911 1.882 2.254 918 HD13 ILE 123 2HD1 ILE 123 4.105 0.278 1.469 919 H LEU 124 H LEU 124 6.720 3.566 -0.753 920 HA LEU 124 HA LEU 124 5.118 2.852 -2.984 921 HB2 LEU 124 2HB LEU 124 4.856 4.816 -1.340 922 HB3 LEU 124 3HB LEU 124 6.171 5.612 -2.215 923 HG LEU 124 HG LEU 124 4.805 5.521 -4.323 924 HD11 LEU 124 1HD1 LEU 124 2.415 4.934 -4.162 925 HD12 LEU 124 2HD1 LEU 124 3.467 3.531 -3.773 926 HD13 LEU 124 3HD1 LEU 124 2.651 4.435 -2.453 927 HD21 LEU 124 3HD2 LEU 124 4.783 7.506 -2.856 928 HD22 LEU 124 1HD2 LEU 124 3.179 7.248 -3.622 929 HD23 LEU 124 2HD2 LEU 124 3.437 6.793 -1.903 930 H ASN 125 H ASN 125 8.502 4.033 -2.616 931 HA ASN 125 HA ASN 125 8.873 4.741 -5.307 932 HB2 ASN 125 2HB ASN 125 10.754 3.844 -3.102 933 HB3 ASN 125 3HB ASN 125 11.325 4.250 -4.726 934 HD21 ASN 125 1HD2 ASN 125 12.166 5.584 -2.478 935 HD22 ASN 125 2HD2 ASN 125 11.647 7.232 -2.596 936 H ASN 126 H ASN 126 9.306 1.590 -3.529 937 HA ASN 126 HA ASN 126 10.256 0.193 -5.789 938 HB2 ASN 126 2HB ASN 126 8.907 -0.658 -3.208 939 HB3 ASN 126 3HB ASN 126 9.393 -1.818 -4.451 940 HD21 ASN 126 1HD2 ASN 126 10.418 -2.073 -2.005 941 HD22 ASN 126 2HD2 ASN 126 12.111 -1.707 -2.032 942 H PHE 127 H PHE 127 6.936 0.877 -4.498 943 HA PHE 127 HA PHE 127 5.511 -0.761 -6.243 944 HB2 PHE 127 2HB PHE 127 4.479 0.379 -4.347 945 HB3 PHE 127 3HB PHE 127 4.890 1.966 -5.011 946 HD1 PHE 127 HD1 PHE 127 2.762 -1.049 -5.499 947 HD2 PHE 127 HD2 PHE 127 3.523 3.013 -6.673 948 HE1 PHE 127 HE1 PHE 127 0.589 -0.983 -6.687 949 HE2 PHE 127 HE2 PHE 127 1.353 3.076 -7.860 950 HZ PHE 127 HZ PHE 127 -0.118 1.079 -7.869 951 H LYS 128 H LYS 128 6.691 2.668 -6.692 952 HA LYS 128 HA LYS 128 5.461 3.036 -9.179 953 HB2 LYS 128 2HB LYS 128 6.334 4.863 -7.777 954 HB3 LYS 128 3HB LYS 128 7.984 4.253 -7.960 955 HG2 LYS 128 2HG LYS 128 7.817 4.669 -10.446 956 HG3 LYS 128 3HG LYS 128 6.215 5.374 -10.190 957 HD2 LYS 128 2HD LYS 128 7.184 7.099 -8.690 958 HD3 LYS 128 3HD LYS 128 8.787 6.370 -8.853 959 HE2 LYS 128 2HE LYS 128 8.668 6.774 -11.351 960 HE3 LYS 128 3HE LYS 128 7.123 7.601 -11.112 961 HZ1 LYS 128 3HZ LYS 128 9.693 8.419 -9.914 962 HZ2 LYS 128 1HZ LYS 128 8.952 9.145 -11.175 963 HZ3 LYS 128 2HZ LYS 128 8.267 9.183 -9.694 964 H ARG 129 H ARG 129 8.822 1.873 -8.327 965 HA ARG 129 HA ARG 129 9.663 1.928 -11.023 966 HB2 ARG 129 2HB ARG 129 10.795 0.648 -8.529 967 HB3 ARG 129 3HB ARG 129 11.559 0.494 -10.117 968 HG2 ARG 129 2HG ARG 129 11.766 2.955 -10.271 969 HG3 ARG 129 3HG ARG 129 10.966 3.131 -8.704 970 HD2 ARG 129 2HD ARG 129 12.784 1.911 -7.620 971 HD3 ARG 129 3HD ARG 129 13.577 1.680 -9.184 972 HE ARG 129 HE ARG 129 13.198 4.452 -8.814 973 HH11 ARG 129 1HH1 ARG 129 15.012 1.836 -7.325 974 HH12 ARG 129 2HH1 ARG 129 16.314 2.866 -6.832 975 HH21 ARG 129 1HH2 ARG 129 14.866 5.761 -8.164 976 HH22 ARG 129 2HH2 ARG 129 16.231 5.120 -7.312 977 H HIS 130 H HIS 130 8.183 -0.619 -8.934 978 HA HIS 130 HA HIS 130 8.712 -2.734 -10.756 979 HB2 HIS 130 2HB HIS 130 8.245 -3.082 -8.349 980 HB3 HIS 130 3HB HIS 130 6.624 -2.402 -8.543 981 HD2 HIS 130 HD2 HIS 130 4.696 -4.251 -9.203 982 HE1 HIS 130 HE1 HIS 130 7.333 -7.442 -10.295 983 H VAL 131 H VAL 131 5.766 -0.660 -10.113 984 HA VAL 131 HA VAL 131 4.189 -2.045 -11.980 985 HB VAL 131 HB VAL 131 3.977 0.738 -10.734 986 HG11 VAL 131 1HG1 VAL 131 1.638 0.765 -11.543 987 HG12 VAL 131 2HG1 VAL 131 2.815 0.739 -12.900 988 HG13 VAL 131 3HG1 VAL 131 1.937 -0.760 -12.444 989 HG21 VAL 131 3HG2 VAL 131 3.763 -1.148 -9.172 990 HG22 VAL 131 1HG2 VAL 131 2.184 -0.322 -9.397 991 HG23 VAL 131 2HG2 VAL 131 2.503 -1.887 -10.218 992 H GLU 132 H GLU 132 6.288 0.910 -12.216 993 HA GLU 132 HA GLU 132 5.412 1.873 -14.645 994 HB2 GLU 132 2HB GLU 132 7.027 3.010 -13.162 995 HB3 GLU 132 3HB GLU 132 8.234 1.756 -13.475 996 HG2 GLU 132 2HG GLU 132 8.282 2.408 -15.886 997 HG3 GLU 132 3HG GLU 132 7.082 3.666 -15.567 998 H SER 133 H SER 133 7.440 -1.013 -13.948 999 HA SER 133 HA SER 133 8.553 -1.094 -16.591 1000 HB2 SER 133 2HB SER 133 9.591 -3.128 -15.826 1001 HB3 SER 133 3HB SER 133 9.676 -1.944 -14.515 1002 HG SER 133 HG SER 133 7.971 -2.977 -13.454 1003 H HIS 134 H HIS 134 5.405 -1.678 -15.507 1004 HA HIS 134 HA HIS 134 5.045 -4.171 -16.958 1005 HB2 HIS 134 2HB HIS 134 3.131 -2.389 -15.370 1006 HB3 HIS 134 3HB HIS 134 2.678 -3.920 -16.132 1007 HD2 HIS 134 HD2 HIS 134 5.938 -4.961 -14.875 1008 HE1 HIS 134 HE1 HIS 134 3.468 -5.138 -11.383 1009 H LEU 135 H LEU 135 5.302 -0.937 -17.872 1010 HA LEU 135 HA LEU 135 3.983 -1.570 -20.370 1011 HB2 LEU 135 2HB LEU 135 2.121 -0.612 -19.091 1012 HB3 LEU 135 3HB LEU 135 3.117 0.763 -18.594 1013 HG LEU 135 HG LEU 135 3.279 1.473 -21.017 1014 HD11 LEU 135 1HD1 LEU 135 1.713 0.458 -22.630 1015 HD12 LEU 135 2HD1 LEU 135 2.914 -0.738 -22.037 1016 HD13 LEU 135 3HD1 LEU 135 1.234 -0.762 -21.402 1017 HD21 LEU 135 3HD2 LEU 135 1.615 2.441 -19.469 1018 HD22 LEU 135 1HD2 LEU 135 0.951 2.304 -21.132 1019 HD23 LEU 135 2HD2 LEU 135 0.466 1.121 -19.871 1020 H GLU 136 H GLU 136 5.534 -1.089 -21.862 1021 HA GLU 136 HA GLU 136 7.506 0.944 -21.196 1022 HB2 GLU 136 2HB GLU 136 7.208 -0.973 -23.559 1023 HB3 GLU 136 3HB GLU 136 8.560 0.144 -23.330 1024 HG2 GLU 136 2HG GLU 136 9.150 -1.016 -21.196 1025 HG3 GLU 136 3HG GLU 136 7.806 -2.139 -21.439 1026 H HIS 137 H HIS 137 8.042 2.715 -22.708 1027 HA HIS 137 HA HIS 137 5.805 3.418 -24.483 1028 HB2 HIS 137 2HB HIS 137 7.200 5.243 -22.464 1029 HB3 HIS 137 3HB HIS 137 6.071 5.789 -23.710 1030 HD2 HIS 137 HD2 HIS 137 6.013 4.307 -20.137 1031 HE1 HIS 137 HE1 HIS 137 1.974 4.391 -21.550 1032 H HIS 138 H HIS 138 9.281 3.847 -23.527 1033 HA HIS 138 HA HIS 138 9.789 4.593 -26.333 1034 HB2 HIS 138 2HB HIS 138 11.157 5.693 -23.828 1035 HB3 HIS 138 3HB HIS 138 11.627 6.047 -25.496 1036 HD2 HIS 138 HD2 HIS 138 8.978 7.165 -22.858 1037 HE1 HIS 138 HE1 HIS 138 8.256 9.352 -26.467 Start of MODEL 6 1 H1 MET 1 1H MET 1 -1.417 13.660 14.326 2 H2 MET 1 2H MET 1 -2.472 12.783 13.441 3 H3 MET 1 3H MET 1 -1.080 12.106 13.957 4 HA MET 1 HA MET 1 -1.214 14.384 12.144 5 HB2 MET 1 2HB MET 1 1.035 12.475 12.941 6 HB3 MET 1 3HB MET 1 1.155 13.690 11.661 7 HG2 MET 1 2HG MET 1 0.636 14.272 14.617 8 HG3 MET 1 3HG MET 1 2.193 14.434 13.793 9 HE1 MET 1 3HE MET 1 1.201 16.622 10.868 10 HE2 MET 1 1HE MET 1 2.436 17.295 11.985 11 HE3 MET 1 2HE MET 1 2.403 15.533 11.640 12 H ASN 2 H ASN 2 -1.964 13.959 10.106 13 HA ASN 2 HA ASN 2 -1.884 11.167 9.219 14 HB2 ASN 2 2HB ASN 2 -3.387 13.596 8.169 15 HB3 ASN 2 3HB ASN 2 -3.390 12.004 7.397 16 HD21 ASN 2 1HD2 ASN 2 -5.047 13.992 9.392 17 HD22 ASN 2 2HD2 ASN 2 -6.052 12.824 10.183 18 H ILE 3 H ILE 3 -0.492 10.504 7.605 19 HA ILE 3 HA ILE 3 0.978 12.652 6.238 20 HB ILE 3 HB ILE 3 1.799 9.777 6.894 21 HG12 ILE 3 2HG1 ILE 3 2.960 12.444 7.824 22 HG13 ILE 3 3HG1 ILE 3 1.830 11.466 8.770 23 HG21 ILE 3 1HG2 ILE 3 3.979 10.377 5.889 24 HG22 ILE 3 2HG2 ILE 3 2.646 10.452 4.687 25 HG23 ILE 3 3HG2 ILE 3 3.307 11.966 5.390 26 HD11 ILE 3 3HD1 ILE 3 4.598 10.585 7.835 27 HD12 ILE 3 1HD1 ILE 3 4.144 11.093 9.497 28 HD13 ILE 3 2HD1 ILE 3 3.450 9.592 8.795 29 H THR 4 H THR 4 0.891 12.738 3.988 30 HA THR 4 HA THR 4 -0.533 10.506 2.710 31 HB THR 4 HB THR 4 -0.553 13.483 1.983 32 HG1 THR 4 HG1 THR 4 -2.818 13.276 2.621 33 HG21 THR 4 3HG2 THR 4 -2.046 11.102 0.777 34 HG22 THR 4 1HG2 THR 4 -2.279 12.826 0.331 35 HG23 THR 4 2HG2 THR 4 -0.709 12.018 0.003 36 H VAL 5 H VAL 5 0.417 9.579 0.875 37 HA VAL 5 HA VAL 5 2.673 11.055 -0.283 38 HB VAL 5 HB VAL 5 3.795 8.844 -0.674 39 HG11 VAL 5 1HG1 VAL 5 4.576 8.526 1.654 40 HG12 VAL 5 2HG1 VAL 5 4.457 10.265 1.221 41 HG13 VAL 5 3HG1 VAL 5 3.193 9.506 2.248 42 HG21 VAL 5 3HG2 VAL 5 1.809 7.400 -0.551 43 HG22 VAL 5 1HG2 VAL 5 3.053 6.877 0.634 44 HG23 VAL 5 2HG2 VAL 5 1.613 7.796 1.190 45 H GLU 6 H GLU 6 3.108 10.475 -2.604 46 HA GLU 6 HA GLU 6 0.852 9.222 -3.960 47 HB2 GLU 6 2HB GLU 6 0.199 11.610 -3.590 48 HB3 GLU 6 3HB GLU 6 1.675 12.129 -4.416 49 HG2 GLU 6 2HG GLU 6 0.899 10.990 -6.502 50 HG3 GLU 6 3HG GLU 6 -0.583 10.494 -5.674 51 H THR 7 H THR 7 1.438 8.341 -5.969 52 HA THR 7 HA THR 7 3.911 9.250 -7.167 53 HB THR 7 HB THR 7 4.560 7.396 -5.576 54 HG1 THR 7 HG1 THR 7 4.894 6.230 -8.141 55 HG21 THR 7 3HG2 THR 7 2.806 5.714 -7.434 56 HG22 THR 7 1HG2 THR 7 3.897 5.079 -6.156 57 HG23 THR 7 2HG2 THR 7 2.475 6.081 -5.707 58 H THR 8 H THR 8 3.915 8.967 -9.448 59 HA THR 8 HA THR 8 1.432 7.805 -10.489 60 HB THR 8 HB THR 8 3.357 9.862 -11.695 61 HG1 THR 8 HG1 THR 8 1.457 11.245 -11.444 62 HG21 THR 8 3HG2 THR 8 0.743 8.711 -12.783 63 HG22 THR 8 1HG2 THR 8 1.687 10.054 -13.512 64 HG23 THR 8 2HG2 THR 8 2.389 8.402 -13.431 65 H VAL 9 H VAL 9 1.540 5.996 -11.817 66 HA VAL 9 HA VAL 9 4.256 5.175 -12.592 67 HB VAL 9 HB VAL 9 3.434 2.827 -12.378 68 HG11 VAL 9 1HG1 VAL 9 3.371 2.755 -9.906 69 HG12 VAL 9 2HG1 VAL 9 4.632 3.882 -10.510 70 HG13 VAL 9 3HG1 VAL 9 3.084 4.527 -9.866 71 HG21 VAL 9 3HG2 VAL 9 1.041 3.238 -12.756 72 HG22 VAL 9 1HG2 VAL 9 1.305 2.383 -11.198 73 HG23 VAL 9 2HG2 VAL 9 0.939 4.142 -11.207 74 H ALA 10 H ALA 10 4.543 4.296 -14.711 75 HA ALA 10 HA ALA 10 2.322 4.786 -16.537 76 HB1 ALA 10 3HB ALA 10 5.233 3.958 -16.979 77 HB2 ALA 10 1HB ALA 10 4.046 4.348 -18.270 78 HB3 ALA 10 2HB ALA 10 4.567 5.620 -17.114 79 H ALA 11 H ALA 11 0.962 2.981 -15.642 80 HA ALA 11 HA ALA 11 1.607 0.535 -17.085 81 HB1 ALA 11 3HB ALA 11 1.028 0.627 -14.085 82 HB2 ALA 11 1HB ALA 11 1.111 -0.858 -15.092 83 HB3 ALA 11 2HB ALA 11 2.578 0.151 -14.856 84 HA PRO 12 HA PRO 12 -2.721 0.359 -17.918 85 HB2 PRO 12 2HB PRO 12 -2.663 -2.502 -16.871 86 HB3 PRO 12 3HB PRO 12 -3.209 -1.921 -18.450 87 HG2 PRO 12 2HG PRO 12 -0.868 -3.181 -18.269 88 HG3 PRO 12 3HG PRO 12 -1.002 -1.754 -19.306 89 HD2 PRO 12 2HD PRO 12 0.217 -1.977 -16.522 90 HD3 PRO 12 3HD PRO 12 0.814 -1.081 -17.926 91 H VAL 13 H VAL 13 -4.669 0.788 -16.981 92 HA VAL 13 HA VAL 13 -4.350 1.612 -14.321 93 HB VAL 13 HB VAL 13 -5.823 2.657 -16.129 94 HG11 VAL 13 1HG1 VAL 13 -8.130 1.786 -16.342 95 HG12 VAL 13 2HG1 VAL 13 -6.911 0.599 -16.918 96 HG13 VAL 13 3HG1 VAL 13 -7.689 0.381 -15.314 97 HG21 VAL 13 3HG2 VAL 13 -5.949 3.345 -13.773 98 HG22 VAL 13 1HG2 VAL 13 -7.577 3.366 -14.532 99 HG23 VAL 13 2HG2 VAL 13 -7.115 2.021 -13.436 100 H GLY 14 H GLY 14 -5.868 -1.307 -15.813 101 HA2 GLY 14 2HA GLY 14 -7.236 -2.160 -13.486 102 HA3 GLY 14 3HA GLY 14 -6.754 -3.145 -14.874 103 H LYS 15 H LYS 15 -3.887 -2.839 -14.783 104 HA LYS 15 HA LYS 15 -3.264 -4.744 -12.803 105 HB2 LYS 15 2HB LYS 15 -1.576 -2.922 -14.576 106 HB3 LYS 15 3HB LYS 15 -0.873 -4.126 -13.487 107 HG2 LYS 15 2HG LYS 15 -2.188 -5.917 -14.692 108 HG3 LYS 15 3HG LYS 15 -2.763 -4.687 -15.825 109 HD2 LYS 15 2HD LYS 15 -0.369 -4.147 -16.410 110 HD3 LYS 15 3HD LYS 15 0.167 -5.438 -15.327 111 HE2 LYS 15 2HE LYS 15 -1.124 -7.105 -16.669 112 HE3 LYS 15 3HE LYS 15 -1.672 -5.816 -17.748 113 HZ1 LYS 15 3HZ LYS 15 1.139 -6.607 -17.333 114 HZ2 LYS 15 1HZ LYS 15 0.227 -6.967 -18.638 115 HZ3 LYS 15 2HZ LYS 15 0.634 -5.416 -18.330 116 H VAL 16 H VAL 16 -2.999 -1.138 -12.917 117 HA VAL 16 HA VAL 16 -1.383 -0.984 -10.599 118 HB VAL 16 HB VAL 16 -3.202 1.039 -11.999 119 HG11 VAL 16 1HG1 VAL 16 -2.010 2.767 -10.686 120 HG12 VAL 16 2HG1 VAL 16 -2.938 1.647 -9.632 121 HG13 VAL 16 3HG1 VAL 16 -1.156 1.477 -9.773 122 HG21 VAL 16 3HG2 VAL 16 -1.290 0.270 -13.339 123 HG22 VAL 16 1HG2 VAL 16 -1.061 1.974 -12.819 124 HG23 VAL 16 2HG2 VAL 16 -0.171 0.654 -11.987 125 H TRP 17 H TRP 17 -4.969 -0.728 -11.208 126 HA TRP 17 HA TRP 17 -5.688 -0.111 -8.575 127 HB2 TRP 17 2HB TRP 17 -7.093 -1.548 -10.868 128 HB3 TRP 17 3HB TRP 17 -7.886 -1.257 -9.314 129 HD1 TRP 17 HD1 TRP 17 -5.710 1.666 -9.927 130 HE1 TRP 17 HE1 TRP 17 -7.056 3.639 -10.916 131 HE3 TRP 17 HE3 TRP 17 -9.988 -0.859 -11.240 132 HZ2 TRP 17 HZ2 TRP 17 -9.574 4.077 -12.090 133 HZ3 TRP 17 HZ3 TRP 17 -11.844 0.415 -12.303 134 HH2 TRP 17 HH2 TRP 17 -11.646 2.818 -12.725 135 H ARG 18 H ARG 18 -5.128 -3.307 -10.225 136 HA ARG 18 HA ARG 18 -6.006 -4.838 -8.031 137 HB2 ARG 18 2HB ARG 18 -4.230 -5.445 -10.398 138 HB3 ARG 18 3HB ARG 18 -4.594 -6.641 -9.147 139 HG2 ARG 18 2HG ARG 18 -6.997 -6.465 -9.621 140 HG3 ARG 18 3HG ARG 18 -6.699 -5.178 -10.798 141 HD2 ARG 18 2HD ARG 18 -5.401 -6.737 -12.177 142 HD3 ARG 18 3HD ARG 18 -5.694 -8.024 -10.999 143 HE ARG 18 HE ARG 18 -8.207 -7.053 -11.770 144 HH11 ARG 18 1HH1 ARG 18 -5.465 -8.606 -13.325 145 HH12 ARG 18 2HH1 ARG 18 -6.443 -9.412 -14.506 146 HH21 ARG 18 1HH2 ARG 18 -9.449 -8.085 -13.295 147 HH22 ARG 18 2HH2 ARG 18 -8.731 -9.113 -14.490 148 H ALA 19 H ALA 19 -2.969 -3.106 -8.702 149 HA ALA 19 HA ALA 19 -1.367 -4.795 -7.034 150 HB1 ALA 19 3HB ALA 19 -0.916 -1.995 -8.176 151 HB2 ALA 19 1HB ALA 19 0.334 -3.024 -7.399 152 HB3 ALA 19 2HB ALA 19 -0.430 -3.547 -8.938 153 H TYR 20 H TYR 20 -3.841 -2.613 -6.253 154 HA TYR 20 HA TYR 20 -2.783 -0.930 -4.359 155 HB2 TYR 20 2HB TYR 20 -4.978 -0.577 -3.709 156 HB3 TYR 20 3HB TYR 20 -5.219 -1.269 -5.318 157 HD1 TYR 20 HD1 TYR 20 -5.907 -3.680 -5.548 158 HD2 TYR 20 HD2 TYR 20 -5.749 -1.715 -1.735 159 HE1 TYR 20 HE1 TYR 20 -7.329 -5.457 -4.576 160 HE2 TYR 20 HE2 TYR 20 -7.168 -3.490 -0.756 161 HH TYR 20 HH TYR 20 -8.016 -5.564 -1.076 162 H THR 21 H THR 21 -3.654 -4.436 -4.026 163 HA THR 21 HA THR 21 -1.850 -4.498 -1.766 164 HB THR 21 HB THR 21 -4.738 -5.505 -1.566 165 HG1 THR 21 HG1 THR 21 -5.051 -3.529 -0.788 166 HG21 THR 21 3HG2 THR 21 -2.422 -5.614 0.428 167 HG22 THR 21 1HG2 THR 21 -4.114 -6.120 0.752 168 HG23 THR 21 2HG2 THR 21 -3.126 -7.009 -0.456 169 H THR 22 H THR 22 -0.765 -5.598 -3.776 170 HA THR 22 HA THR 22 -1.603 -8.405 -3.827 171 HB THR 22 HB THR 22 0.405 -6.851 -5.541 172 HG1 THR 22 HG1 THR 22 -1.214 -7.305 -7.201 173 HG21 THR 22 3HG2 THR 22 -0.525 -9.760 -5.709 174 HG22 THR 22 1HG2 THR 22 0.530 -8.922 -6.897 175 HG23 THR 22 2HG2 THR 22 1.108 -9.196 -5.219 176 HA PRO 23 HA PRO 23 1.486 -9.135 -0.743 177 HB2 PRO 23 2HB PRO 23 1.567 -11.948 -1.144 178 HB3 PRO 23 3HB PRO 23 0.317 -11.153 -0.178 179 HG2 PRO 23 2HG PRO 23 0.223 -12.027 -3.076 180 HG3 PRO 23 3HG PRO 23 -1.013 -12.190 -1.823 181 HD2 PRO 23 2HD PRO 23 -1.236 -10.234 -3.667 182 HD3 PRO 23 3HD PRO 23 -1.670 -9.895 -1.987 183 H GLU 24 H GLU 24 1.878 -10.605 -4.027 184 HA GLU 24 HA GLU 24 4.638 -11.058 -3.760 185 HB2 GLU 24 2HB GLU 24 2.837 -10.431 -6.145 186 HB3 GLU 24 3HB GLU 24 4.555 -10.818 -6.310 187 HG2 GLU 24 2HG GLU 24 4.186 -13.041 -5.295 188 HG3 GLU 24 3HG GLU 24 2.483 -12.658 -5.015 189 H ASP 25 H ASP 25 2.727 -8.095 -4.560 190 HA ASP 25 HA ASP 25 5.056 -6.567 -5.216 191 HB2 ASP 25 2HB ASP 25 2.188 -5.832 -4.463 192 HB3 ASP 25 3HB ASP 25 3.417 -4.644 -4.917 193 H ILE 26 H ILE 26 3.147 -7.231 -2.217 194 HA ILE 26 HA ILE 26 4.250 -5.207 -0.662 195 HB ILE 26 HB ILE 26 3.199 -7.992 0.032 196 HG12 ILE 26 2HG1 ILE 26 1.535 -6.472 -0.912 197 HG13 ILE 26 3HG1 ILE 26 1.220 -6.739 0.807 198 HG21 ILE 26 1HG2 ILE 26 3.081 -7.208 2.375 199 HG22 ILE 26 2HG2 ILE 26 4.773 -7.276 1.777 200 HG23 ILE 26 3HG2 ILE 26 3.930 -5.696 1.908 201 HD11 ILE 26 3HD1 ILE 26 2.587 -4.291 -0.394 202 HD12 ILE 26 1HD1 ILE 26 0.897 -4.384 0.204 203 HD13 ILE 26 2HD1 ILE 26 2.267 -4.562 1.352 204 H LYS 27 H LYS 27 5.563 -8.381 -1.700 205 HA LYS 27 HA LYS 27 7.566 -8.698 0.191 206 HB2 LYS 27 2HB LYS 27 7.435 -9.353 -2.786 207 HB3 LYS 27 3HB LYS 27 8.766 -9.866 -1.740 208 HG2 LYS 27 2HG LYS 27 7.189 -11.154 -0.325 209 HG3 LYS 27 3HG LYS 27 5.827 -10.599 -1.307 210 HD2 LYS 27 2HD LYS 27 6.856 -11.686 -3.326 211 HD3 LYS 27 3HD LYS 27 8.194 -12.262 -2.323 212 HE2 LYS 27 2HE LYS 27 6.580 -13.534 -0.897 213 HE3 LYS 27 3HE LYS 27 5.240 -12.955 -1.896 214 HZ1 LYS 27 3HZ LYS 27 7.483 -14.615 -2.855 215 HZ2 LYS 27 1HZ LYS 27 5.963 -15.136 -2.565 216 HZ3 LYS 27 2HZ LYS 27 6.246 -14.081 -3.777 217 H GLN 28 H GLN 28 7.289 -6.355 -2.497 218 HA GLN 28 HA GLN 28 10.065 -5.652 -2.442 219 HB2 GLN 28 2HB GLN 28 7.590 -4.192 -3.498 220 HB3 GLN 28 3HB GLN 28 9.262 -3.695 -3.791 221 HG2 GLN 28 2HG GLN 28 7.944 -6.288 -4.722 222 HG3 GLN 28 3HG GLN 28 8.363 -4.895 -5.728 223 HE21 GLN 28 1HE2 GLN 28 9.269 -7.900 -5.320 224 HE22 GLN 28 2HE2 GLN 28 10.991 -7.797 -5.468 225 H TRP 29 H TRP 29 7.237 -4.895 -0.462 226 HA TRP 29 HA TRP 29 8.455 -2.428 0.509 227 HB2 TRP 29 2HB TRP 29 5.840 -3.884 1.143 228 HB3 TRP 29 3HB TRP 29 6.349 -2.380 1.922 229 HD1 TRP 29 HD1 TRP 29 7.406 -2.215 -1.637 230 HE1 TRP 29 HE1 TRP 29 5.733 -0.817 -3.029 231 HE3 TRP 29 HE3 TRP 29 3.538 -1.993 1.740 232 HZ2 TRP 29 HZ2 TRP 29 3.142 0.235 -2.747 233 HZ3 TRP 29 HZ3 TRP 29 1.471 -0.761 1.103 234 HH2 TRP 29 HH2 TRP 29 1.270 0.321 -1.084 235 H ASN 30 H ASN 30 9.881 -5.029 0.960 236 HA ASN 30 HA ASN 30 9.218 -6.091 3.465 237 HB2 ASN 30 2HB ASN 30 11.345 -7.221 3.346 238 HB3 ASN 30 3HB ASN 30 10.558 -7.259 1.763 239 HD21 ASN 30 1HD2 ASN 30 11.844 -6.924 0.139 240 HD22 ASN 30 2HD2 ASN 30 13.230 -5.886 0.105 241 H ALA 31 H ALA 31 10.951 -6.113 5.363 242 HA ALA 31 HA ALA 31 11.025 -3.300 6.131 243 HB1 ALA 31 3HB ALA 31 11.356 -5.893 7.716 244 HB2 ALA 31 1HB ALA 31 11.305 -4.238 8.412 245 HB3 ALA 31 2HB ALA 31 9.860 -4.910 7.584 246 H ALA 32 H ALA 32 13.236 -6.205 6.011 247 HA ALA 32 HA ALA 32 15.433 -4.427 6.789 248 HB1 ALA 32 3HB ALA 32 15.224 -7.468 6.541 249 HB2 ALA 32 1HB ALA 32 16.664 -6.560 7.112 250 HB3 ALA 32 2HB ALA 32 15.140 -6.516 8.061 251 H SER 33 H SER 33 15.407 -7.340 4.603 252 HA SER 33 HA SER 33 16.311 -5.670 2.395 253 HB2 SER 33 2HB SER 33 18.390 -6.112 3.606 254 HB3 SER 33 3HB SER 33 18.012 -7.836 3.710 255 HG SER 33 HG SER 33 19.485 -7.355 1.991 256 H ASP 34 H ASP 34 16.282 -6.829 0.325 257 HA ASP 34 HA ASP 34 14.104 -8.676 0.269 258 HB2 ASP 34 2HB ASP 34 14.420 -8.587 -2.150 259 HB3 ASP 34 3HB ASP 34 14.457 -6.957 -1.465 260 H ASP 35 H ASP 35 17.321 -9.169 1.130 261 HA ASP 35 HA ASP 35 17.278 -11.885 -0.024 262 HB2 ASP 35 2HB ASP 35 19.600 -10.179 0.997 263 HB3 ASP 35 3HB ASP 35 19.737 -11.860 0.468 264 H TRP 36 H TRP 36 17.491 -9.893 2.968 265 HA TRP 36 HA TRP 36 18.014 -12.363 4.488 266 HB2 TRP 36 2HB TRP 36 18.446 -9.420 5.202 267 HB3 TRP 36 3HB TRP 36 18.785 -10.788 6.269 268 HD1 TRP 36 HD1 TRP 36 20.291 -8.760 3.448 269 HE1 TRP 36 HE1 TRP 36 22.639 -9.674 2.868 270 HE3 TRP 36 HE3 TRP 36 20.137 -13.131 6.144 271 HZ2 TRP 36 HZ2 TRP 36 24.216 -11.928 3.467 272 HZ3 TRP 36 HZ3 TRP 36 22.123 -14.630 6.098 273 HH2 TRP 36 HH2 TRP 36 24.112 -14.050 4.793 274 H HIS 37 H HIS 37 15.403 -10.534 3.489 275 HA HIS 37 HA HIS 37 14.026 -10.980 6.062 276 HB2 HIS 37 2HB HIS 37 14.356 -8.548 5.399 277 HB3 HIS 37 3HB HIS 37 13.390 -8.863 3.952 278 HD2 HIS 37 HD2 HIS 37 12.889 -8.434 7.830 279 HE1 HIS 37 HE1 HIS 37 9.040 -8.695 5.971 280 H THR 38 H THR 38 12.086 -12.149 5.991 281 HA THR 38 HA THR 38 11.218 -12.954 3.305 282 HB THR 38 HB THR 38 10.753 -14.250 6.040 283 HG1 THR 38 HG1 THR 38 12.059 -15.952 5.050 284 HG21 THR 38 3HG2 THR 38 9.871 -15.128 3.244 285 HG22 THR 38 1HG2 THR 38 9.684 -16.082 4.754 286 HG23 THR 38 2HG2 THR 38 8.798 -14.533 4.556 287 H THR 39 H THR 39 9.234 -12.222 2.564 288 HA THR 39 HA THR 39 7.541 -10.910 4.579 289 HB THR 39 HB THR 39 8.038 -10.107 1.664 290 HG1 THR 39 HG1 THR 39 8.538 -8.175 3.547 291 HG21 THR 39 3HG2 THR 39 6.311 -8.823 3.838 292 HG22 THR 39 1HG2 THR 39 6.629 -8.142 2.207 293 HG23 THR 39 2HG2 THR 39 5.714 -9.678 2.376 294 H ALA 40 H ALA 40 5.454 -11.700 4.710 295 HA ALA 40 HA ALA 40 4.357 -12.952 2.276 296 HB1 ALA 40 3HB ALA 40 4.078 -13.902 5.171 297 HB2 ALA 40 1HB ALA 40 3.210 -14.586 3.755 298 HB3 ALA 40 2HB ALA 40 4.998 -14.724 3.865 299 H ALA 41 H ALA 41 2.181 -12.478 1.815 300 HA ALA 41 HA ALA 41 0.708 -10.963 3.847 301 HB1 ALA 41 3HB ALA 41 1.123 -10.103 0.943 302 HB2 ALA 41 1HB ALA 41 -0.003 -9.336 2.113 303 HB3 ALA 41 2HB ALA 41 1.768 -9.276 2.401 304 H THR 42 H THR 42 -1.508 -11.424 3.880 305 HA THR 42 HA THR 42 -2.494 -12.984 1.595 306 HB THR 42 HB THR 42 -3.252 -13.253 4.552 307 HG1 THR 42 HG1 THR 42 -2.358 -15.415 4.217 308 HG21 THR 42 3HG2 THR 42 -4.279 -14.733 2.079 309 HG22 THR 42 1HG2 THR 42 -4.697 -15.115 3.783 310 HG23 THR 42 2HG2 THR 42 -5.201 -13.548 3.064 311 H VAL 43 H VAL 43 -4.382 -12.203 0.625 312 HA VAL 43 HA VAL 43 -5.727 -10.014 2.040 313 HB VAL 43 HB VAL 43 -4.134 -9.020 0.436 314 HG11 VAL 43 1HG1 VAL 43 -4.381 -9.424 -1.995 315 HG12 VAL 43 2HG1 VAL 43 -3.927 -10.920 -1.111 316 HG13 VAL 43 3HG1 VAL 43 -5.621 -10.678 -1.655 317 HG21 VAL 43 3HG2 VAL 43 -6.289 -7.904 0.805 318 HG22 VAL 43 1HG2 VAL 43 -5.740 -7.688 -0.891 319 HG23 VAL 43 2HG2 VAL 43 -7.033 -8.875 -0.510 320 H ASP 44 H ASP 44 -7.980 -10.156 1.950 321 HA ASP 44 HA ASP 44 -9.129 -12.030 0.014 322 HB2 ASP 44 2HB ASP 44 -9.811 -12.129 2.416 323 HB3 ASP 44 3HB ASP 44 -10.375 -10.455 2.319 324 H LEU 45 H LEU 45 -9.605 -11.199 -1.992 325 HA LEU 45 HA LEU 45 -9.646 -8.327 -2.286 326 HB2 LEU 45 2HB LEU 45 -9.970 -10.615 -4.291 327 HB3 LEU 45 3HB LEU 45 -9.801 -8.906 -4.711 328 HG LEU 45 HG LEU 45 -7.684 -10.588 -3.267 329 HD11 LEU 45 1HD1 LEU 45 -6.441 -10.392 -5.390 330 HD12 LEU 45 2HD1 LEU 45 -8.003 -11.249 -5.618 331 HD13 LEU 45 3HD1 LEU 45 -7.835 -9.535 -6.130 332 HD21 LEU 45 3HD2 LEU 45 -7.651 -8.206 -2.618 333 HD22 LEU 45 1HD2 LEU 45 -6.238 -8.617 -3.648 334 HD23 LEU 45 2HD2 LEU 45 -7.633 -7.729 -4.349 335 H ARG 46 H ARG 46 -11.640 -7.783 -1.106 336 HA ARG 46 HA ARG 46 -13.841 -7.677 -2.903 337 HB2 ARG 46 2HB ARG 46 -15.493 -8.844 -1.631 338 HB3 ARG 46 3HB ARG 46 -14.197 -9.951 -2.101 339 HG2 ARG 46 2HG ARG 46 -13.230 -9.794 0.178 340 HG3 ARG 46 3HG ARG 46 -14.514 -8.674 0.650 341 HD2 ARG 46 2HD ARG 46 -16.193 -10.368 0.333 342 HD3 ARG 46 3HD ARG 46 -15.001 -11.487 -0.341 343 HE ARG 46 HE ARG 46 -14.243 -11.968 1.802 344 HH11 ARG 46 1HH1 ARG 46 -16.453 -9.240 1.957 345 HH12 ARG 46 2HH1 ARG 46 -16.634 -9.337 3.677 346 HH21 ARG 46 1HH2 ARG 46 -14.476 -12.072 4.007 347 HH22 ARG 46 2HH2 ARG 46 -15.500 -10.961 4.855 348 H GLU 47 H GLU 47 -15.613 -6.267 -2.034 349 HA GLU 47 HA GLU 47 -14.763 -4.211 -0.341 350 HB2 GLU 47 2HB GLU 47 -16.661 -4.130 -1.980 351 HB3 GLU 47 3HB GLU 47 -17.591 -5.209 -0.932 352 HG2 GLU 47 2HG GLU 47 -17.562 -3.512 0.877 353 HG3 GLU 47 3HG GLU 47 -16.573 -2.440 -0.122 354 H GLY 48 H GLY 48 -14.498 -4.100 1.863 355 HA2 GLY 48 2HA GLY 48 -14.978 -4.520 4.054 356 HA3 GLY 48 3HA GLY 48 -16.168 -5.738 3.577 357 H GLY 49 H GLY 49 -13.304 -6.350 1.791 358 HA2 GLY 49 2HA GLY 49 -12.962 -8.814 3.135 359 HA3 GLY 49 3HA GLY 49 -11.947 -8.136 1.855 360 H ALA 50 H ALA 50 -10.900 -9.627 4.105 361 HA ALA 50 HA ALA 50 -9.712 -7.517 5.777 362 HB1 ALA 50 3HB ALA 50 -9.839 -10.556 6.093 363 HB2 ALA 50 1HB ALA 50 -9.073 -9.413 7.247 364 HB3 ALA 50 2HB ALA 50 -10.846 -9.352 6.966 365 H PHE 51 H PHE 51 -7.408 -7.393 6.067 366 HA PHE 51 HA PHE 51 -5.843 -9.071 4.219 367 HB2 PHE 51 2HB PHE 51 -6.030 -6.923 3.131 368 HB3 PHE 51 3HB PHE 51 -5.724 -6.052 4.640 369 HD1 PHE 51 HD1 PHE 51 -4.098 -8.557 2.349 370 HD2 PHE 51 HD2 PHE 51 -3.569 -5.305 5.106 371 HE1 PHE 51 HE1 PHE 51 -1.678 -8.511 1.832 372 HE2 PHE 51 HE2 PHE 51 -1.151 -5.257 4.585 373 HZ PHE 51 HZ PHE 51 -0.198 -6.864 2.950 374 H SER 52 H SER 52 -3.758 -9.688 4.986 375 HA SER 52 HA SER 52 -2.956 -8.603 7.593 376 HB2 SER 52 2HB SER 52 -4.212 -10.666 8.073 377 HB3 SER 52 3HB SER 52 -3.245 -11.560 6.892 378 HG SER 52 HG SER 52 -2.491 -11.856 9.062 379 H SER 53 H SER 53 -0.773 -8.174 7.683 380 HA SER 53 HA SER 53 0.882 -9.411 5.569 381 HB2 SER 53 2HB SER 53 0.578 -7.012 5.191 382 HB3 SER 53 3HB SER 53 1.027 -6.652 6.863 383 HG SER 53 HG SER 53 2.784 -6.346 5.388 384 H ARG 54 H ARG 54 2.441 -10.776 6.319 385 HA ARG 54 HA ARG 54 3.260 -10.398 9.123 386 HB2 ARG 54 2HB ARG 54 1.939 -12.426 8.805 387 HB3 ARG 54 3HB ARG 54 3.054 -12.977 7.548 388 HG2 ARG 54 2HG ARG 54 4.897 -13.047 9.209 389 HG3 ARG 54 3HG ARG 54 3.787 -12.487 10.467 390 HD2 ARG 54 2HD ARG 54 2.384 -14.519 10.013 391 HD3 ARG 54 3HD ARG 54 3.664 -15.087 8.933 392 HE ARG 54 HE ARG 54 3.670 -15.121 11.829 393 HH11 ARG 54 1HH1 ARG 54 5.706 -15.179 8.964 394 HH12 ARG 54 2HH1 ARG 54 7.045 -15.902 9.792 395 HH21 ARG 54 1HH2 ARG 54 5.390 -16.058 12.872 396 HH22 ARG 54 2HH2 ARG 54 6.865 -16.407 12.033 397 H MET 55 H MET 55 5.331 -9.675 9.342 398 HA MET 55 HA MET 55 7.198 -10.344 7.151 399 HB2 MET 55 2HB MET 55 6.996 -7.906 8.978 400 HB3 MET 55 3HB MET 55 8.389 -8.242 7.942 401 HG2 MET 55 2HG MET 55 6.775 -8.260 5.956 402 HG3 MET 55 3HG MET 55 5.525 -7.671 7.060 403 HE1 MET 55 3HE MET 55 7.156 -5.334 8.942 404 HE2 MET 55 1HE MET 55 6.386 -4.111 7.876 405 HE3 MET 55 2HE MET 55 5.505 -5.619 8.294 406 H GLU 56 H GLU 56 9.193 -11.263 7.679 407 HA GLU 56 HA GLU 56 9.959 -11.285 10.499 408 HB2 GLU 56 2HB GLU 56 10.335 -13.674 10.514 409 HB3 GLU 56 3HB GLU 56 8.644 -13.368 10.098 410 HG2 GLU 56 2HG GLU 56 9.217 -13.708 7.667 411 HG3 GLU 56 3HG GLU 56 10.875 -14.102 8.138 412 H ALA 57 H ALA 57 12.247 -11.442 10.821 413 HA ALA 57 HA ALA 57 13.850 -11.105 8.418 414 HB1 ALA 57 3HB ALA 57 14.547 -11.129 11.395 415 HB2 ALA 57 1HB ALA 57 15.677 -10.735 10.056 416 HB3 ALA 57 2HB ALA 57 14.263 -9.676 10.378 417 H LYS 58 H LYS 58 15.309 -12.610 7.582 418 HA LYS 58 HA LYS 58 14.836 -15.327 8.178 419 HB2 LYS 58 2HB LYS 58 16.996 -13.858 6.603 420 HB3 LYS 58 3HB LYS 58 16.915 -15.621 6.709 421 HG2 LYS 58 2HG LYS 58 14.601 -15.544 5.721 422 HG3 LYS 58 3HG LYS 58 14.755 -13.790 5.553 423 HD2 LYS 58 2HD LYS 58 16.776 -14.111 4.105 424 HD3 LYS 58 3HD LYS 58 16.608 -15.864 4.265 425 HE2 LYS 58 2HE LYS 58 14.344 -15.751 3.220 426 HE3 LYS 58 3HE LYS 58 14.492 -13.995 3.076 427 HZ1 LYS 58 3HZ LYS 58 16.151 -16.017 1.720 428 HZ2 LYS 58 1HZ LYS 58 15.102 -14.972 1.031 429 HZ3 LYS 58 2HZ LYS 58 16.487 -14.419 1.695 430 H ASP 59 H ASP 59 17.033 -12.909 9.570 431 HA ASP 59 HA ASP 59 18.669 -14.977 10.800 432 HB2 ASP 59 2HB ASP 59 19.922 -13.108 11.722 433 HB3 ASP 59 3HB ASP 59 19.682 -12.860 9.987 434 H GLY 60 H GLY 60 15.558 -13.732 11.360 435 HA2 GLY 60 2HA GLY 60 14.178 -14.209 13.066 436 HA3 GLY 60 3HA GLY 60 15.479 -15.142 13.817 437 H SER 61 H SER 61 16.160 -11.745 13.017 438 HA SER 61 HA SER 61 16.657 -11.281 15.822 439 HB2 SER 61 2HB SER 61 17.639 -9.202 15.033 440 HB3 SER 61 3HB SER 61 18.212 -10.546 14.036 441 HG SER 61 HG SER 61 16.958 -9.895 12.348 442 H MET 62 H MET 62 14.049 -10.642 13.513 443 HA MET 62 HA MET 62 12.475 -9.386 15.542 444 HB2 MET 62 2HB MET 62 12.174 -7.244 14.277 445 HB3 MET 62 3HB MET 62 13.765 -7.424 15.028 446 HG2 MET 62 2HG MET 62 14.269 -6.555 12.915 447 HG3 MET 62 3HG MET 62 14.570 -8.286 12.716 448 HE1 MET 62 3HE MET 62 14.547 -7.117 10.178 449 HE2 MET 62 1HE MET 62 13.022 -6.793 9.288 450 HE3 MET 62 2HE MET 62 13.599 -5.634 10.533 451 H GLY 63 H GLY 63 10.211 -9.031 14.785 452 HA2 GLY 63 2HA GLY 63 9.721 -9.370 11.958 453 HA3 GLY 63 3HA GLY 63 9.085 -10.678 12.963 454 H PHE 64 H PHE 64 7.292 -9.096 11.482 455 HA PHE 64 HA PHE 64 5.999 -7.528 13.606 456 HB2 PHE 64 2HB PHE 64 6.323 -6.645 10.698 457 HB3 PHE 64 3HB PHE 64 5.452 -5.776 11.968 458 HD1 PHE 64 HD1 PHE 64 6.701 -4.723 13.851 459 HD2 PHE 64 HD2 PHE 64 8.725 -6.552 10.533 460 HE1 PHE 64 HE1 PHE 64 8.781 -3.532 14.465 461 HE2 PHE 64 HE2 PHE 64 10.808 -5.366 11.152 462 HZ PHE 64 HZ PHE 64 10.839 -3.852 13.115 463 H ASP 65 H ASP 65 3.667 -7.420 13.426 464 HA ASP 65 HA ASP 65 2.514 -9.095 11.305 465 HB2 ASP 65 2HB ASP 65 2.794 -10.477 13.362 466 HB3 ASP 65 3HB ASP 65 1.884 -9.278 14.290 467 H PHE 66 H PHE 66 1.116 -7.792 10.195 468 HA PHE 66 HA PHE 66 -0.424 -5.849 11.797 469 HB2 PHE 66 2HB PHE 66 0.588 -5.645 8.916 470 HB3 PHE 66 3HB PHE 66 -0.491 -4.480 9.696 471 HD1 PHE 66 HD1 PHE 66 0.335 -3.081 11.592 472 HD2 PHE 66 HD2 PHE 66 2.951 -5.664 9.368 473 HE1 PHE 66 HE1 PHE 66 2.295 -1.850 12.468 474 HE2 PHE 66 HE2 PHE 66 4.911 -4.436 10.252 475 HZ PHE 66 HZ PHE 66 4.587 -2.527 11.801 476 H ALA 67 H ALA 67 -2.662 -5.840 11.540 477 HA ALA 67 HA ALA 67 -3.763 -7.352 9.287 478 HB1 ALA 67 3HB ALA 67 -4.480 -7.800 12.227 479 HB2 ALA 67 1HB ALA 67 -5.345 -8.501 10.818 480 HB3 ALA 67 2HB ALA 67 -3.641 -8.963 11.146 481 H GLY 68 H GLY 68 -5.862 -6.631 8.619 482 HA2 GLY 68 2HA GLY 68 -7.325 -4.781 10.253 483 HA3 GLY 68 3HA GLY 68 -6.480 -3.984 8.920 484 H THR 69 H THR 69 -9.246 -3.832 8.925 485 HA THR 69 HA THR 69 -9.921 -5.709 6.768 486 HB THR 69 HB THR 69 -12.280 -5.606 7.533 487 HG1 THR 69 HG1 THR 69 -12.689 -4.647 9.653 488 HG21 THR 69 3HG2 THR 69 -10.322 -6.411 9.740 489 HG22 THR 69 1HG2 THR 69 -12.029 -6.951 9.600 490 HG23 THR 69 2HG2 THR 69 -10.830 -7.429 8.351 491 H TYR 70 H TYR 70 -11.322 -4.828 5.061 492 HA TYR 70 HA TYR 70 -10.851 -2.056 4.558 493 HB2 TYR 70 2HB TYR 70 -12.657 -4.101 3.174 494 HB3 TYR 70 3HB TYR 70 -12.246 -2.503 2.539 495 HD1 TYR 70 HD1 TYR 70 -9.300 -3.268 4.059 496 HD2 TYR 70 HD2 TYR 70 -11.701 -4.685 0.796 497 HE1 TYR 70 HE1 TYR 70 -7.278 -4.212 2.989 498 HE2 TYR 70 HE2 TYR 70 -9.683 -5.631 -0.281 499 HH TYR 70 HH TYR 70 -6.501 -5.542 1.363 500 H THR 71 H THR 71 -12.360 -0.312 4.509 501 HA THR 71 HA THR 71 -14.837 -0.856 5.968 502 HB THR 71 HB THR 71 -14.940 1.585 6.317 503 HG1 THR 71 HG1 THR 71 -13.186 2.913 5.544 504 HG21 THR 71 3HG2 THR 71 -12.174 0.430 6.929 505 HG22 THR 71 1HG2 THR 71 -12.922 1.852 7.732 506 HG23 THR 71 2HG2 THR 71 -13.654 0.223 7.926 507 H LYS 72 H LYS 72 -13.501 0.160 2.813 508 HA LYS 72 HA LYS 72 -16.049 -0.245 1.598 509 HB2 LYS 72 2HB LYS 72 -16.312 2.080 2.520 510 HB3 LYS 72 3HB LYS 72 -14.892 2.584 1.594 511 HG2 LYS 72 2HG LYS 72 -16.809 3.264 0.331 512 HG3 LYS 72 3HG LYS 72 -16.112 1.883 -0.525 513 HD2 LYS 72 2HD LYS 72 -17.777 0.371 0.624 514 HD3 LYS 72 3HD LYS 72 -18.502 1.791 1.391 515 HE2 LYS 72 2HE LYS 72 -19.050 2.752 -0.824 516 HE3 LYS 72 3HE LYS 72 -18.238 1.407 -1.637 517 HZ1 LYS 72 3HZ LYS 72 -20.666 1.250 0.025 518 HZ2 LYS 72 1HZ LYS 72 -20.544 0.971 -1.579 519 HZ3 LYS 72 2HZ LYS 72 -19.865 -0.065 -0.516 520 H VAL 73 H VAL 73 -15.778 -0.782 -0.589 521 HA VAL 73 HA VAL 73 -13.249 0.063 -1.805 522 HB VAL 73 HB VAL 73 -14.515 -2.721 -1.961 523 HG11 VAL 73 1HG1 VAL 73 -12.615 -3.284 -3.446 524 HG12 VAL 73 2HG1 VAL 73 -13.663 -2.009 -4.156 525 HG13 VAL 73 3HG1 VAL 73 -12.088 -1.567 -3.414 526 HG21 VAL 73 3HG2 VAL 73 -13.223 -2.335 0.094 527 HG22 VAL 73 1HG2 VAL 73 -12.363 -3.472 -0.999 528 HG23 VAL 73 2HG2 VAL 73 -11.826 -1.762 -0.878 529 H VAL 74 H VAL 74 -13.597 1.112 -3.746 530 HA VAL 74 HA VAL 74 -16.170 0.578 -5.059 531 HB VAL 74 HB VAL 74 -14.738 3.263 -4.723 532 HG11 VAL 74 1HG1 VAL 74 -16.704 4.214 -5.889 533 HG12 VAL 74 2HG1 VAL 74 -15.799 3.065 -6.932 534 HG13 VAL 74 3HG1 VAL 74 -17.339 2.556 -6.160 535 HG21 VAL 74 3HG2 VAL 74 -15.892 2.527 -2.683 536 HG22 VAL 74 1HG2 VAL 74 -16.758 3.904 -3.444 537 HG23 VAL 74 2HG2 VAL 74 -17.394 2.234 -3.623 538 H GLU 75 H GLU 75 -15.728 -0.422 -7.009 539 HA GLU 75 HA GLU 75 -14.752 -0.873 -8.964 540 HB2 GLU 75 2HB GLU 75 -14.425 2.167 -8.925 541 HB3 GLU 75 3HB GLU 75 -14.269 1.151 -10.364 542 HG2 GLU 75 2HG GLU 75 -16.647 0.423 -10.099 543 HG3 GLU 75 3HG GLU 75 -16.800 1.456 -8.672 544 H ASN 76 H ASN 76 -12.916 -1.165 -6.708 545 HA ASN 76 HA ASN 76 -10.768 -1.272 -6.189 546 HB2 ASN 76 2HB ASN 76 -10.397 -1.392 -9.205 547 HB3 ASN 76 3HB ASN 76 -9.226 -1.911 -7.985 548 HD21 ASN 76 1HD2 ASN 76 -11.530 -2.934 -10.075 549 HD22 ASN 76 2HD2 ASN 76 -11.863 -4.486 -9.383 550 H LYS 77 H LYS 77 -11.714 1.451 -6.207 551 HA LYS 77 HA LYS 77 -9.494 2.897 -7.486 552 HB2 LYS 77 2HB LYS 77 -11.522 2.835 -8.983 553 HB3 LYS 77 3HB LYS 77 -12.460 3.605 -7.696 554 HG2 LYS 77 2HG LYS 77 -11.042 5.616 -7.803 555 HG3 LYS 77 3HG LYS 77 -9.979 4.845 -8.987 556 HD2 LYS 77 2HD LYS 77 -11.813 4.714 -10.628 557 HD3 LYS 77 3HD LYS 77 -12.972 5.320 -9.438 558 HE2 LYS 77 2HE LYS 77 -12.340 7.170 -10.873 559 HE3 LYS 77 3HE LYS 77 -11.640 7.456 -9.274 560 HZ1 LYS 77 3HZ LYS 77 -10.057 6.101 -11.330 561 HZ2 LYS 77 1HZ LYS 77 -10.189 7.728 -11.344 562 HZ3 LYS 77 2HZ LYS 77 -9.545 6.972 -10.048 563 H ARG 78 H ARG 78 -12.142 2.758 -5.028 564 HA ARG 78 HA ARG 78 -10.442 4.568 -3.455 565 HB2 ARG 78 2HB ARG 78 -13.468 4.563 -3.529 566 HB3 ARG 78 3HB ARG 78 -12.479 5.410 -2.333 567 HG2 ARG 78 2HG ARG 78 -12.241 5.904 -5.327 568 HG3 ARG 78 3HG ARG 78 -13.375 6.783 -4.293 569 HD2 ARG 78 2HD ARG 78 -11.466 7.529 -2.896 570 HD3 ARG 78 3HD ARG 78 -10.364 6.718 -4.017 571 HE ARG 78 HE ARG 78 -11.799 9.225 -4.452 572 HH11 ARG 78 1HH1 ARG 78 -9.893 6.654 -5.906 573 HH12 ARG 78 2HH1 ARG 78 -9.475 7.596 -7.298 574 HH21 ARG 78 1HH2 ARG 78 -11.244 10.423 -6.233 575 HH22 ARG 78 2HH2 ARG 78 -10.249 9.761 -7.487 576 H ILE 79 H ILE 79 -9.570 3.438 -1.769 577 HA ILE 79 HA ILE 79 -11.229 1.345 -0.578 578 HB ILE 79 HB ILE 79 -8.345 1.021 -1.555 579 HG12 ILE 79 2HG1 ILE 79 -10.925 -0.425 -2.326 580 HG13 ILE 79 3HG1 ILE 79 -10.122 0.817 -3.296 581 HG21 ILE 79 1HG2 ILE 79 -8.502 -1.274 -0.650 582 HG22 ILE 79 2HG2 ILE 79 -8.654 -0.034 0.641 583 HG23 ILE 79 3HG2 ILE 79 -10.115 -0.888 0.039 584 HD11 ILE 79 3HD1 ILE 79 -8.931 -1.884 -2.517 585 HD12 ILE 79 1HD1 ILE 79 -9.593 -1.432 -4.124 586 HD13 ILE 79 2HD1 ILE 79 -8.116 -0.623 -3.502 587 H GLU 80 H GLU 80 -11.198 1.471 1.656 588 HA GLU 80 HA GLU 80 -8.825 2.755 2.862 589 HB2 GLU 80 2HB GLU 80 -10.875 4.139 3.058 590 HB3 GLU 80 3HB GLU 80 -11.740 2.778 3.781 591 HG2 GLU 80 2HG GLU 80 -10.125 2.799 5.704 592 HG3 GLU 80 3HG GLU 80 -9.313 4.197 4.988 593 H TYR 81 H TYR 81 -7.805 1.654 4.563 594 HA TYR 81 HA TYR 81 -8.986 -0.866 5.431 595 HB2 TYR 81 2HB TYR 81 -7.043 -2.166 4.679 596 HB3 TYR 81 3HB TYR 81 -7.892 -1.447 3.304 597 HD1 TYR 81 HD1 TYR 81 -6.888 0.470 2.071 598 HD2 TYR 81 HD2 TYR 81 -4.774 -1.514 5.235 599 HE1 TYR 81 HE1 TYR 81 -4.773 1.499 1.299 600 HE2 TYR 81 HE2 TYR 81 -2.655 -0.490 4.469 601 HH TYR 81 HH TYR 81 -1.669 0.830 3.000 602 H ALA 82 H ALA 82 -7.444 -1.981 7.065 603 HA ALA 82 HA ALA 82 -5.944 0.111 8.514 604 HB1 ALA 82 3HB ALA 82 -7.626 -2.200 9.605 605 HB2 ALA 82 1HB ALA 82 -6.636 -1.069 10.588 606 HB3 ALA 82 2HB ALA 82 -8.048 -0.455 9.663 607 H PHE 83 H PHE 83 -3.907 -0.453 9.367 608 HA PHE 83 HA PHE 83 -3.150 -3.286 9.084 609 HB2 PHE 83 2HB PHE 83 -0.931 -2.624 8.373 610 HB3 PHE 83 3HB PHE 83 -2.118 -1.911 7.273 611 HD1 PHE 83 HD1 PHE 83 -2.643 0.526 7.402 612 HD2 PHE 83 HD2 PHE 83 0.488 -1.253 9.747 613 HE1 PHE 83 HE1 PHE 83 -1.675 2.768 7.809 614 HE2 PHE 83 HE2 PHE 83 1.454 0.991 10.154 615 HZ PHE 83 HZ PHE 83 0.377 3.003 9.186 616 H GLY 84 H GLY 84 -2.752 -4.128 11.095 617 HA2 GLY 84 2HA GLY 84 -2.039 -4.276 13.216 618 HA3 GLY 84 3HA GLY 84 -0.989 -2.887 12.910 619 H ASP 85 H ASP 85 -1.326 -1.323 14.462 620 HA ASP 85 HA ASP 85 -4.093 -0.879 15.349 621 HB2 ASP 85 2HB ASP 85 -3.051 0.382 17.188 622 HB3 ASP 85 3HB ASP 85 -2.442 -1.277 17.116 623 H ARG 86 H ARG 86 -2.671 0.036 12.683 624 HA ARG 86 HA ARG 86 -3.455 2.852 13.030 625 HB2 ARG 86 2HB ARG 86 -1.105 1.804 11.434 626 HB3 ARG 86 3HB ARG 86 -1.751 3.447 11.328 627 HG2 ARG 86 2HG ARG 86 -0.931 2.345 14.019 628 HG3 ARG 86 3HG ARG 86 0.314 2.872 12.878 629 HD2 ARG 86 2HD ARG 86 -0.013 4.767 14.095 630 HD3 ARG 86 3HD ARG 86 -1.080 5.050 12.714 631 HE ARG 86 HE ARG 86 -2.917 4.933 14.117 632 HH11 ARG 86 1HH1 ARG 86 -0.100 3.769 15.870 633 HH12 ARG 86 2HH1 ARG 86 -0.897 3.813 17.407 634 HH21 ARG 86 1HH2 ARG 86 -3.927 4.973 16.093 635 HH22 ARG 86 2HH2 ARG 86 -3.092 4.502 17.536 636 H THR 87 H THR 87 -3.879 3.880 10.720 637 HA THR 87 HA THR 87 -5.251 1.850 9.105 638 HB THR 87 HB THR 87 -7.133 3.434 8.793 639 HG1 THR 87 HG1 THR 87 -7.212 5.320 10.218 640 HG21 THR 87 3HG2 THR 87 -6.487 2.891 11.734 641 HG22 THR 87 1HG2 THR 87 -8.111 3.266 11.065 642 HG23 THR 87 2HG2 THR 87 -7.274 1.749 10.593 643 H ALA 88 H ALA 88 -5.593 2.503 6.811 644 HA ALA 88 HA ALA 88 -4.361 4.985 5.961 645 HB1 ALA 88 3HB ALA 88 -3.324 2.255 5.054 646 HB2 ALA 88 1HB ALA 88 -2.875 3.839 4.336 647 HB3 ALA 88 2HB ALA 88 -2.426 3.463 6.034 648 H LYS 89 H LYS 89 -4.907 5.525 3.709 649 HA LYS 89 HA LYS 89 -7.006 3.800 2.581 650 HB2 LYS 89 2HB LYS 89 -8.047 5.667 3.872 651 HB3 LYS 89 3HB LYS 89 -7.122 6.836 2.920 652 HG2 LYS 89 2HG LYS 89 -8.284 6.101 0.852 653 HG3 LYS 89 3HG LYS 89 -9.178 4.883 1.770 654 HD2 LYS 89 2HD LYS 89 -10.191 6.693 3.179 655 HD3 LYS 89 3HD LYS 89 -9.302 7.908 2.252 656 HE2 LYS 89 2HE LYS 89 -10.461 7.188 0.167 657 HE3 LYS 89 3HE LYS 89 -11.325 5.935 1.068 658 HZ1 LYS 89 3HZ LYS 89 -11.547 8.837 1.553 659 HZ2 LYS 89 1HZ LYS 89 -12.655 7.907 0.797 660 HZ3 LYS 89 2HZ LYS 89 -12.345 7.681 2.384 661 H VAL 90 H VAL 90 -6.825 3.495 0.370 662 HA VAL 90 HA VAL 90 -4.771 5.139 -0.941 663 HB VAL 90 HB VAL 90 -4.101 2.786 -0.753 664 HG11 VAL 90 1HG1 VAL 90 -5.429 0.986 -1.815 665 HG12 VAL 90 2HG1 VAL 90 -6.330 1.785 -0.483 666 HG13 VAL 90 3HG1 VAL 90 -6.725 2.171 -2.191 667 HG21 VAL 90 3HG2 VAL 90 -3.484 3.993 -2.803 668 HG22 VAL 90 1HG2 VAL 90 -3.790 2.258 -3.151 669 HG23 VAL 90 2HG2 VAL 90 -5.024 3.491 -3.578 670 H GLU 91 H GLU 91 -5.331 6.246 -2.828 671 HA GLU 91 HA GLU 91 -7.943 5.562 -4.012 672 HB2 GLU 91 2HB GLU 91 -6.774 8.352 -3.580 673 HB3 GLU 91 3HB GLU 91 -8.285 7.979 -4.420 674 HG2 GLU 91 2HG GLU 91 -9.207 7.019 -2.289 675 HG3 GLU 91 3HG GLU 91 -7.708 7.460 -1.460 676 H PHE 92 H PHE 92 -8.085 5.784 -6.314 677 HA PHE 92 HA PHE 92 -5.436 6.056 -7.589 678 HB2 PHE 92 2HB PHE 92 -7.814 4.260 -8.273 679 HB3 PHE 92 3HB PHE 92 -6.401 4.477 -9.315 680 HD1 PHE 92 HD1 PHE 92 -4.196 3.596 -8.649 681 HD2 PHE 92 HD2 PHE 92 -7.688 2.949 -6.232 682 HE1 PHE 92 HE1 PHE 92 -3.016 1.797 -7.426 683 HE2 PHE 92 HE2 PHE 92 -6.505 1.154 -5.006 684 HZ PHE 92 HZ PHE 92 -4.167 0.574 -5.598 685 H LEU 93 H LEU 93 -5.240 7.643 -9.126 686 HA LEU 93 HA LEU 93 -7.753 8.623 -10.337 687 HB2 LEU 93 2HB LEU 93 -6.735 10.342 -8.944 688 HB3 LEU 93 3HB LEU 93 -5.141 10.052 -9.655 689 HG LEU 93 HG LEU 93 -6.045 10.854 -11.885 690 HD11 LEU 93 1HD1 LEU 93 -8.174 12.105 -11.877 691 HD12 LEU 93 2HD1 LEU 93 -8.425 10.374 -11.468 692 HD13 LEU 93 3HD1 LEU 93 -8.456 11.617 -10.172 693 HD21 LEU 93 3HD2 LEU 93 -4.768 12.321 -10.366 694 HD22 LEU 93 1HD2 LEU 93 -6.047 13.239 -11.229 695 HD23 LEU 93 2HD2 LEU 93 -6.284 12.767 -9.512 696 H GLU 94 H GLU 94 -7.974 8.241 -12.500 697 HA GLU 94 HA GLU 94 -5.717 7.103 -13.908 698 HB2 GLU 94 2HB GLU 94 -8.017 6.182 -14.113 699 HB3 GLU 94 3HB GLU 94 -8.586 7.727 -14.760 700 HG2 GLU 94 2HG GLU 94 -7.066 7.464 -16.723 701 HG3 GLU 94 3HG GLU 94 -6.499 5.918 -16.077 702 H ALA 95 H ALA 95 -4.264 8.279 -15.092 703 HA ALA 95 HA ALA 95 -5.186 10.903 -16.089 704 HB1 ALA 95 3HB ALA 95 -2.386 9.917 -15.357 705 HB2 ALA 95 1HB ALA 95 -2.785 11.529 -16.042 706 HB3 ALA 95 2HB ALA 95 -3.389 11.071 -14.414 707 HA PRO 96 HA PRO 96 -4.426 9.530 -20.220 708 HB2 PRO 96 2HB PRO 96 -3.413 11.857 -21.363 709 HB3 PRO 96 3HB PRO 96 -5.123 11.715 -20.934 710 HG2 PRO 96 2HG PRO 96 -2.864 13.011 -19.367 711 HG3 PRO 96 3HG PRO 96 -4.492 13.627 -19.681 712 HD2 PRO 96 2HD PRO 96 -3.890 12.457 -17.302 713 HD3 PRO 96 3HD PRO 96 -5.485 12.236 -18.033 714 H GLN 97 H GLN 97 -1.718 10.872 -18.348 715 HA GLN 97 HA GLN 97 0.126 9.750 -20.328 716 HB2 GLN 97 2HB GLN 97 0.586 11.460 -17.833 717 HB3 GLN 97 3HB GLN 97 1.849 10.923 -18.948 718 HG2 GLN 97 2HG GLN 97 -0.480 12.783 -19.612 719 HG3 GLN 97 3HG GLN 97 1.210 13.254 -19.387 720 HE21 GLN 97 1HE2 GLN 97 -0.919 13.070 -21.724 721 HE22 GLN 97 2HE2 GLN 97 0.025 12.471 -23.046 722 H GLY 98 H GLY 98 -1.381 9.020 -17.223 723 HA2 GLY 98 2HA GLY 98 -0.076 6.526 -17.015 724 HA3 GLY 98 3HA GLY 98 0.725 7.692 -15.954 725 H VAL 99 H VAL 99 -0.206 5.900 -14.369 726 HA VAL 99 HA VAL 99 -2.887 6.808 -13.578 727 HB VAL 99 HB VAL 99 -1.464 4.167 -12.963 728 HG11 VAL 99 1HG1 VAL 99 -3.637 3.488 -11.991 729 HG12 VAL 99 2HG1 VAL 99 -2.928 4.895 -11.128 730 HG13 VAL 99 3HG1 VAL 99 -4.279 5.139 -12.286 731 HG21 VAL 99 3HG2 VAL 99 -2.189 4.317 -15.308 732 HG22 VAL 99 1HG2 VAL 99 -3.212 3.156 -14.396 733 HG23 VAL 99 2HG2 VAL 99 -3.838 4.795 -14.780 734 H THR 100 H THR 100 -3.078 7.840 -11.590 735 HA THR 100 HA THR 100 -0.567 8.120 -10.123 736 HB THR 100 HB THR 100 -3.156 9.758 -10.111 737 HG1 THR 100 HG1 THR 100 -0.454 10.382 -11.006 738 HG21 THR 100 3HG2 THR 100 -0.521 10.210 -8.625 739 HG22 THR 100 1HG2 THR 100 -1.905 11.352 -8.684 740 HG23 THR 100 2HG2 THR 100 -2.092 9.756 -7.883 741 H VAL 101 H VAL 101 -0.304 7.190 -8.109 742 HA VAL 101 HA VAL 101 -2.747 6.140 -6.857 743 HB VAL 101 HB VAL 101 0.148 5.171 -6.612 744 HG11 VAL 101 1HG1 VAL 101 -0.843 3.261 -5.388 745 HG12 VAL 101 2HG1 VAL 101 -1.147 4.821 -4.552 746 HG13 VAL 101 3HG1 VAL 101 -2.459 4.038 -5.494 747 HG21 VAL 101 3HG2 VAL 101 -0.813 4.679 -8.821 748 HG22 VAL 101 1HG2 VAL 101 -0.651 3.179 -7.846 749 HG23 VAL 101 2HG2 VAL 101 -2.260 3.953 -8.044 750 H ARG 102 H ARG 102 -3.321 7.023 -4.890 751 HA ARG 102 HA ARG 102 -1.202 8.482 -3.451 752 HB2 ARG 102 2HB ARG 102 -2.737 10.041 -4.502 753 HB3 ARG 102 3HB ARG 102 -4.121 9.231 -3.757 754 HG2 ARG 102 2HG ARG 102 -3.216 9.816 -1.499 755 HG3 ARG 102 3HG ARG 102 -1.881 10.677 -2.276 756 HD2 ARG 102 2HD ARG 102 -4.813 11.329 -2.626 757 HD3 ARG 102 3HD ARG 102 -3.722 12.125 -1.485 758 HE ARG 102 HE ARG 102 -2.480 12.419 -3.934 759 HH11 ARG 102 1HH1 ARG 102 -5.675 13.208 -2.703 760 HH12 ARG 102 2HH1 ARG 102 -5.849 14.600 -3.719 761 HH21 ARG 102 1HH2 ARG 102 -2.721 14.199 -5.238 762 HH22 ARG 102 2HH2 ARG 102 -4.154 15.170 -5.175 763 H VAL 103 H VAL 103 -0.838 7.842 -1.361 764 HA VAL 103 HA VAL 103 -3.002 6.312 -0.088 765 HB VAL 103 HB VAL 103 0.022 5.863 0.120 766 HG11 VAL 103 1HG1 VAL 103 -0.575 3.946 1.566 767 HG12 VAL 103 2HG1 VAL 103 -1.100 5.509 2.278 768 HG13 VAL 103 3HG1 VAL 103 -2.303 4.432 1.491 769 HG21 VAL 103 3HG2 VAL 103 -0.942 5.007 -1.973 770 HG22 VAL 103 1HG2 VAL 103 -0.485 3.657 -0.881 771 HG23 VAL 103 2HG2 VAL 103 -2.209 4.133 -1.047 772 H SER 104 H SER 104 -3.711 7.211 1.828 773 HA SER 104 HA SER 104 -1.812 8.980 3.242 774 HB2 SER 104 2HB SER 104 -3.682 10.213 2.172 775 HB3 SER 104 3HB SER 104 -4.849 9.177 3.005 776 HG SER 104 HG SER 104 -3.283 11.296 3.975 777 H PHE 105 H PHE 105 -1.469 8.560 5.423 778 HA PHE 105 HA PHE 105 -3.100 6.437 6.622 779 HB2 PHE 105 2HB PHE 105 -1.155 5.110 7.157 780 HB3 PHE 105 3HB PHE 105 -1.184 5.372 5.408 781 HD1 PHE 105 HD1 PHE 105 0.381 7.043 4.371 782 HD2 PHE 105 HD2 PHE 105 0.644 5.922 8.511 783 HE1 PHE 105 HE1 PHE 105 2.686 7.937 4.467 784 HE2 PHE 105 HE2 PHE 105 2.950 6.821 8.606 785 HZ PHE 105 HZ PHE 105 3.974 7.832 6.586 786 H VAL 106 H VAL 106 -2.642 6.194 9.007 787 HA VAL 106 HA VAL 106 -2.151 8.790 10.155 788 HB VAL 106 HB VAL 106 -2.844 6.077 11.392 789 HG11 VAL 106 1HG1 VAL 106 -3.352 7.363 13.445 790 HG12 VAL 106 2HG1 VAL 106 -1.619 7.487 12.989 791 HG13 VAL 106 3HG1 VAL 106 -2.735 8.854 12.658 792 HG21 VAL 106 3HG2 VAL 106 -4.625 7.007 9.975 793 HG22 VAL 106 1HG2 VAL 106 -5.082 7.087 11.710 794 HG23 VAL 106 2HG2 VAL 106 -4.530 8.568 10.857 795 H ALA 107 H ALA 107 -0.268 9.462 11.177 796 HA ALA 107 HA ALA 107 2.058 7.839 10.907 797 HB1 ALA 107 3HB ALA 107 1.538 10.449 12.414 798 HB2 ALA 107 1HB ALA 107 3.152 9.741 12.071 799 HB3 ALA 107 2HB ALA 107 2.108 10.294 10.718 800 H GLU 108 H GLU 108 3.157 6.579 12.408 801 HA GLU 108 HA GLU 108 1.752 5.844 14.787 802 HB2 GLU 108 2HB GLU 108 3.100 4.248 13.469 803 HB3 GLU 108 3HB GLU 108 4.557 5.209 13.753 804 HG2 GLU 108 2HG GLU 108 4.412 3.192 15.217 805 HG3 GLU 108 3HG GLU 108 4.523 4.701 16.132 806 H THR 109 H THR 109 1.907 6.722 16.822 807 HA THR 109 HA THR 109 3.269 9.163 17.078 808 HB THR 109 HB THR 109 2.515 9.061 19.446 809 HG1 THR 109 HG1 THR 109 1.314 7.138 20.111 810 HG21 THR 109 3HG2 THR 109 0.427 8.060 17.448 811 HG22 THR 109 1HG2 THR 109 0.082 8.875 19.011 812 HG23 THR 109 2HG2 THR 109 0.921 9.768 17.698 813 H GLU 110 H GLU 110 4.249 5.808 17.657 814 HA GLU 110 HA GLU 110 6.233 6.396 19.618 815 HB2 GLU 110 2HB GLU 110 5.763 4.048 17.723 816 HB3 GLU 110 3HB GLU 110 7.065 4.088 18.920 817 HG2 GLU 110 2HG GLU 110 5.409 4.273 20.754 818 HG3 GLU 110 3HG GLU 110 4.086 4.315 19.580 819 H TYR 111 H TYR 111 6.030 6.943 16.173 820 HA TYR 111 HA TYR 111 8.953 7.339 16.140 821 HB2 TYR 111 2HB TYR 111 7.097 6.326 13.931 822 HB3 TYR 111 3HB TYR 111 8.760 6.860 13.652 823 HD1 TYR 111 HD1 TYR 111 6.631 4.221 15.117 824 HD2 TYR 111 HD2 TYR 111 10.663 5.521 14.432 825 HE1 TYR 111 HE1 TYR 111 7.451 1.952 15.672 826 HE2 TYR 111 HE2 TYR 111 11.492 3.254 14.986 827 HH TYR 111 HH TYR 111 10.973 1.195 15.589 828 HA PRO 112 HA PRO 112 8.026 11.507 14.933 829 HB2 PRO 112 2HB PRO 112 10.283 12.047 13.401 830 HB3 PRO 112 3HB PRO 112 10.378 11.932 15.163 831 HG2 PRO 112 2HG PRO 112 11.023 9.821 13.076 832 HG3 PRO 112 3HG PRO 112 11.947 10.279 14.512 833 HD2 PRO 112 2HD PRO 112 10.353 8.077 14.533 834 HD3 PRO 112 3HD PRO 112 10.525 9.077 15.981 835 H VAL 113 H VAL 113 7.240 12.816 13.267 836 HA VAL 113 HA VAL 113 5.785 11.434 11.399 837 HB VAL 113 HB VAL 113 6.748 14.335 11.453 838 HG11 VAL 113 1HG1 VAL 113 4.969 14.807 9.799 839 HG12 VAL 113 2HG1 VAL 113 6.225 13.708 9.135 840 HG13 VAL 113 3HG1 VAL 113 4.639 13.047 9.658 841 HG21 VAL 113 3HG2 VAL 113 5.291 13.661 13.315 842 HG22 VAL 113 1HG2 VAL 113 4.431 14.779 12.204 843 HG23 VAL 113 2HG2 VAL 113 4.082 13.018 12.153 844 H GLU 114 H GLU 114 9.084 12.915 11.094 845 HA GLU 114 HA GLU 114 9.241 12.767 8.301 846 HB2 GLU 114 2HB GLU 114 11.339 12.717 10.518 847 HB3 GLU 114 3HB GLU 114 11.756 12.761 8.800 848 HG2 GLU 114 2HG GLU 114 10.611 14.921 8.527 849 HG3 GLU 114 3HG GLU 114 10.033 14.865 10.198 850 H GLN 115 H GLN 115 9.994 10.340 10.892 851 HA GLN 115 HA GLN 115 11.366 8.567 9.187 852 HB2 GLN 115 2HB GLN 115 11.510 8.553 11.670 853 HB3 GLN 115 3HB GLN 115 9.806 8.093 11.779 854 HG2 GLN 115 2HG GLN 115 11.183 6.125 12.120 855 HG3 GLN 115 3HG GLN 115 10.308 5.958 10.592 856 HE21 GLN 115 1HE2 GLN 115 11.616 4.784 9.305 857 HE22 GLN 115 2HE2 GLN 115 13.274 5.142 8.957 858 H GLN 116 H GLN 116 7.864 8.873 10.125 859 HA GLN 116 HA GLN 116 7.127 6.441 8.848 860 HB2 GLN 116 2HB GLN 116 5.591 8.909 9.789 861 HB3 GLN 116 3HB GLN 116 4.796 7.511 9.054 862 HG2 GLN 116 2HG GLN 116 6.497 7.440 11.590 863 HG3 GLN 116 3HG GLN 116 4.729 7.479 11.543 864 HE21 GLN 116 1HE2 GLN 116 7.199 5.461 12.097 865 HE22 GLN 116 2HE2 GLN 116 6.551 3.963 11.518 866 H GLN 117 H GLN 117 7.172 9.937 7.844 867 HA GLN 117 HA GLN 117 5.775 9.557 5.439 868 HB2 GLN 117 2HB GLN 117 6.171 11.754 6.513 869 HB3 GLN 117 3HB GLN 117 7.911 11.596 6.238 870 HG2 GLN 117 2HG GLN 117 7.514 11.583 3.775 871 HG3 GLN 117 3HG GLN 117 5.778 11.761 4.059 872 HE21 GLN 117 1HE2 GLN 117 6.483 13.685 2.573 873 HE22 GLN 117 2HE2 GLN 117 6.820 15.172 3.394 874 H GLN 118 H GLN 118 9.362 9.569 6.166 875 HA GLN 118 HA GLN 118 10.088 9.147 3.465 876 HB2 GLN 118 2HB GLN 118 11.502 8.724 6.140 877 HB3 GLN 118 3HB GLN 118 12.289 8.408 4.588 878 HG2 GLN 118 2HG GLN 118 11.985 10.761 3.916 879 HG3 GLN 118 3HG GLN 118 11.100 11.099 5.409 880 HE21 GLN 118 1HE2 GLN 118 13.142 12.708 5.058 881 HE22 GLN 118 2HE2 GLN 118 14.513 12.290 6.031 882 H GLY 119 H GLY 119 9.296 6.926 6.214 883 HA2 GLY 119 2HA GLY 119 10.310 4.578 5.079 884 HA3 GLY 119 3HA GLY 119 9.003 4.707 6.262 885 H TRP 120 H TRP 120 6.995 6.108 4.805 886 HA TRP 120 HA TRP 120 5.997 4.022 3.154 887 HB2 TRP 120 2HB TRP 120 5.118 6.591 4.299 888 HB3 TRP 120 3HB TRP 120 4.549 6.394 2.636 889 HD1 TRP 120 HD1 TRP 120 2.375 4.999 2.350 890 HE1 TRP 120 HE1 TRP 120 1.015 3.381 3.842 891 HE3 TRP 120 HE3 TRP 120 5.588 4.693 6.348 892 HZ2 TRP 120 HZ2 TRP 120 1.255 2.144 6.359 893 HZ3 TRP 120 HZ3 TRP 120 4.952 3.264 8.276 894 HH2 TRP 120 HH2 TRP 120 2.814 2.003 8.276 895 H GLN 121 H GLN 121 7.717 7.137 2.527 896 HA GLN 121 HA GLN 121 7.217 7.191 -0.243 897 HB2 GLN 121 2HB GLN 121 8.067 9.101 1.135 898 HB3 GLN 121 3HB GLN 121 9.592 8.239 1.380 899 HG2 GLN 121 2HG GLN 121 9.905 9.887 -0.360 900 HG3 GLN 121 3HG GLN 121 9.994 8.277 -1.087 901 HE21 GLN 121 1HE2 GLN 121 9.063 8.245 -3.032 902 HE22 GLN 121 2HE2 GLN 121 7.606 9.063 -3.488 903 H ALA 122 H ALA 122 9.759 5.563 1.771 904 HA ALA 122 HA ALA 122 11.435 4.915 -0.399 905 HB1 ALA 122 3HB ALA 122 11.047 3.587 2.328 906 HB2 ALA 122 1HB ALA 122 12.427 3.308 1.213 907 HB3 ALA 122 2HB ALA 122 12.180 4.928 1.948 908 H ILE 123 H ILE 123 8.735 3.091 1.235 909 HA ILE 123 HA ILE 123 9.133 0.812 -0.415 910 HB ILE 123 HB ILE 123 6.973 0.052 0.548 911 HG12 ILE 123 2HG1 ILE 123 6.901 2.810 1.859 912 HG13 ILE 123 3HG1 ILE 123 5.865 2.292 0.523 913 HG21 ILE 123 1HG2 ILE 123 7.658 0.046 2.925 914 HG22 ILE 123 2HG2 ILE 123 9.046 -0.267 1.830 915 HG23 ILE 123 3HG2 ILE 123 8.844 1.351 2.583 916 HD11 ILE 123 3HD1 ILE 123 5.944 1.041 3.306 917 HD12 ILE 123 1HD1 ILE 123 4.681 2.147 2.668 918 HD13 ILE 123 2HD1 ILE 123 4.892 0.514 1.950 919 H LEU 124 H LEU 124 7.145 3.809 -0.604 920 HA LEU 124 HA LEU 124 5.516 2.945 -2.758 921 HB2 LEU 124 2HB LEU 124 5.183 4.936 -1.178 922 HB3 LEU 124 3HB LEU 124 6.451 5.773 -2.084 923 HG LEU 124 HG LEU 124 5.065 5.557 -4.177 924 HD11 LEU 124 1HD1 LEU 124 2.698 4.894 -3.954 925 HD12 LEU 124 2HD1 LEU 124 3.803 3.541 -3.538 926 HD13 LEU 124 3HD1 LEU 124 2.979 4.460 -2.234 927 HD21 LEU 124 3HD2 LEU 124 4.996 7.588 -2.776 928 HD22 LEU 124 1HD2 LEU 124 3.390 7.248 -3.505 929 HD23 LEU 124 2HD2 LEU 124 3.692 6.862 -1.777 930 H ASN 125 H ASN 125 8.836 4.349 -2.548 931 HA ASN 125 HA ASN 125 9.124 4.897 -5.278 932 HB2 ASN 125 2HB ASN 125 11.087 4.173 -3.083 933 HB3 ASN 125 3HB ASN 125 11.600 4.520 -4.740 934 HD21 ASN 125 1HD2 ASN 125 12.501 5.999 -2.644 935 HD22 ASN 125 2HD2 ASN 125 11.905 7.617 -2.805 936 H ASN 126 H ASN 126 9.648 1.856 -3.346 937 HA ASN 126 HA ASN 126 10.567 0.339 -5.532 938 HB2 ASN 126 2HB ASN 126 9.200 -0.373 -2.918 939 HB3 ASN 126 3HB ASN 126 9.686 -1.595 -4.100 940 HD21 ASN 126 1HD2 ASN 126 10.703 -1.775 -1.663 941 HD22 ASN 126 2HD2 ASN 126 12.395 -1.407 -1.688 942 H PHE 127 H PHE 127 7.247 1.077 -4.260 943 HA PHE 127 HA PHE 127 5.835 -0.654 -5.929 944 HB2 PHE 127 2HB PHE 127 4.830 0.543 -4.037 945 HB3 PHE 127 3HB PHE 127 5.147 2.104 -4.806 946 HD1 PHE 127 HD1 PHE 127 3.095 -0.980 -4.951 947 HD2 PHE 127 HD2 PHE 127 3.739 2.944 -6.577 948 HE1 PHE 127 HE1 PHE 127 0.891 -1.082 -6.074 949 HE2 PHE 127 HE2 PHE 127 1.533 2.841 -7.697 950 HZ PHE 127 HZ PHE 127 0.104 0.827 -7.446 951 H LYS 128 H LYS 128 6.971 2.767 -6.499 952 HA LYS 128 HA LYS 128 5.734 3.064 -8.988 953 HB2 LYS 128 2HB LYS 128 6.653 4.922 -7.662 954 HB3 LYS 128 3HB LYS 128 8.291 4.278 -7.841 955 HG2 LYS 128 2HG LYS 128 8.102 4.608 -10.338 956 HG3 LYS 128 3HG LYS 128 6.515 5.348 -10.090 957 HD2 LYS 128 2HD LYS 128 7.530 7.109 -8.662 958 HD3 LYS 128 3HD LYS 128 9.119 6.349 -8.820 959 HE2 LYS 128 2HE LYS 128 8.984 6.673 -11.322 960 HE3 LYS 128 3HE LYS 128 7.445 7.517 -11.104 961 HZ1 LYS 128 3HZ LYS 128 10.027 8.364 -9.955 962 HZ2 LYS 128 1HZ LYS 128 9.280 9.046 -11.237 963 HZ3 LYS 128 2HZ LYS 128 8.606 9.143 -9.753 964 H ARG 129 H ARG 129 9.130 1.972 -8.159 965 HA ARG 129 HA ARG 129 9.859 1.699 -10.872 966 HB2 ARG 129 2HB ARG 129 11.048 0.647 -8.300 967 HB3 ARG 129 3HB ARG 129 11.744 0.309 -9.891 968 HG2 ARG 129 2HG ARG 129 12.024 2.729 -10.304 969 HG3 ARG 129 3HG ARG 129 11.280 3.096 -8.742 970 HD2 ARG 129 2HD ARG 129 13.095 1.934 -7.589 971 HD3 ARG 129 3HD ARG 129 13.831 1.521 -9.143 972 HE ARG 129 HE ARG 129 13.552 4.320 -9.067 973 HH11 ARG 129 1HH1 ARG 129 15.300 1.837 -7.300 974 HH12 ARG 129 2HH1 ARG 129 16.636 2.876 -6.935 975 HH21 ARG 129 1HH2 ARG 129 15.264 5.642 -8.581 976 HH22 ARG 129 2HH2 ARG 129 16.617 5.060 -7.669 977 H HIS 130 H HIS 130 8.295 -0.514 -8.509 978 HA HIS 130 HA HIS 130 8.818 -2.868 -10.015 979 HB2 HIS 130 2HB HIS 130 8.351 -2.944 -7.612 980 HB3 HIS 130 3HB HIS 130 6.773 -2.181 -7.848 981 HD2 HIS 130 HD2 HIS 130 4.734 -3.993 -8.061 982 HE1 HIS 130 HE1 HIS 130 7.082 -7.399 -9.158 983 H VAL 131 H VAL 131 5.874 -0.714 -9.666 984 HA VAL 131 HA VAL 131 4.350 -2.416 -11.348 985 HB VAL 131 HB VAL 131 3.915 0.425 -10.301 986 HG11 VAL 131 1HG1 VAL 131 1.560 0.160 -11.019 987 HG12 VAL 131 2HG1 VAL 131 2.691 0.132 -12.414 988 HG13 VAL 131 3HG1 VAL 131 1.979 -1.400 -11.804 989 HG21 VAL 131 3HG2 VAL 131 3.932 -1.334 -8.584 990 HG22 VAL 131 1HG2 VAL 131 2.274 -0.683 -8.815 991 HG23 VAL 131 2HG2 VAL 131 2.720 -2.275 -9.517 992 H GLU 132 H GLU 132 6.066 0.769 -11.808 993 HA GLU 132 HA GLU 132 5.001 1.371 -14.304 994 HB2 GLU 132 2HB GLU 132 6.306 2.916 -12.854 995 HB3 GLU 132 3HB GLU 132 7.769 1.971 -13.155 996 HG2 GLU 132 2HG GLU 132 7.687 2.542 -15.556 997 HG3 GLU 132 3HG GLU 132 6.161 3.405 -15.325 998 H SER 133 H SER 133 7.536 -0.981 -13.366 999 HA SER 133 HA SER 133 8.730 -1.067 -15.969 1000 HB2 SER 133 2HB SER 133 10.036 -2.869 -15.039 1001 HB3 SER 133 3HB SER 133 9.910 -1.585 -13.829 1002 HG SER 133 HG SER 133 8.176 -2.796 -12.832 1003 H HIS 134 H HIS 134 5.680 -2.073 -14.916 1004 HA HIS 134 HA HIS 134 5.718 -4.621 -16.316 1005 HB2 HIS 134 2HB HIS 134 3.510 -3.070 -14.874 1006 HB3 HIS 134 3HB HIS 134 3.302 -4.666 -15.606 1007 HD2 HIS 134 HD2 HIS 134 6.553 -5.357 -14.207 1008 HE1 HIS 134 HE1 HIS 134 4.033 -5.548 -10.752 1009 H LEU 135 H LEU 135 5.713 -1.472 -17.382 1010 HA LEU 135 HA LEU 135 4.451 -2.297 -19.855 1011 HB2 LEU 135 2HB LEU 135 2.530 -1.401 -18.617 1012 HB3 LEU 135 3HB LEU 135 3.435 0.057 -18.192 1013 HG LEU 135 HG LEU 135 3.550 0.661 -20.643 1014 HD11 LEU 135 1HD1 LEU 135 2.067 -0.536 -22.207 1015 HD12 LEU 135 2HD1 LEU 135 3.348 -1.615 -21.557 1016 HD13 LEU 135 3HD1 LEU 135 1.671 -1.728 -20.924 1017 HD21 LEU 135 3HD2 LEU 135 1.819 1.582 -19.144 1018 HD22 LEU 135 1HD2 LEU 135 1.172 1.321 -20.799 1019 HD23 LEU 135 2HD2 LEU 135 0.765 0.168 -19.484 1020 H GLU 136 H GLU 136 5.948 -1.766 -21.385 1021 HA GLU 136 HA GLU 136 7.791 0.418 -20.787 1022 HB2 GLU 136 2HB GLU 136 7.688 -1.669 -23.019 1023 HB3 GLU 136 3HB GLU 136 8.951 -0.443 -22.845 1024 HG2 GLU 136 2HG GLU 136 9.576 -1.407 -20.627 1025 HG3 GLU 136 3HG GLU 136 8.317 -2.635 -20.807 1026 H HIS 137 H HIS 137 8.265 2.097 -22.432 1027 HA HIS 137 HA HIS 137 6.041 2.530 -24.302 1028 HB2 HIS 137 2HB HIS 137 7.198 4.577 -22.343 1029 HB3 HIS 137 3HB HIS 137 6.081 4.957 -23.661 1030 HD2 HIS 137 HD2 HIS 137 5.998 3.649 -20.014 1031 HE1 HIS 137 HE1 HIS 137 2.019 3.371 -21.571 1032 H HIS 138 H HIS 138 9.395 3.450 -23.212 1033 HA HIS 138 HA HIS 138 10.000 3.926 -26.057 1034 HB2 HIS 138 2HB HIS 138 11.017 5.510 -23.645 1035 HB3 HIS 138 3HB HIS 138 11.561 5.720 -25.315 1036 HD2 HIS 138 HD2 HIS 138 8.595 6.768 -23.009 1037 HE1 HIS 138 HE1 HIS 138 7.863 8.363 -26.913 Start of MODEL 7 1 H1 MET 1 1H MET 1 -2.376 14.740 13.751 2 H2 MET 1 2H MET 1 -3.497 14.119 12.738 3 H3 MET 1 3H MET 1 -2.397 13.137 13.440 4 HA MET 1 HA MET 1 -1.850 15.245 11.499 5 HB2 MET 1 2HB MET 1 -0.037 15.000 13.139 6 HB3 MET 1 3HB MET 1 -0.021 13.247 12.910 7 HG2 MET 1 2HG MET 1 1.842 14.235 11.706 8 HG3 MET 1 3HG MET 1 0.692 13.557 10.547 9 HE1 MET 1 3HE MET 1 2.292 16.614 12.144 10 HE2 MET 1 1HE MET 1 1.585 18.029 11.295 11 HE3 MET 1 2HE MET 1 0.622 17.150 12.530 12 H ASN 2 H ASN 2 -2.432 14.636 9.454 13 HA ASN 2 HA ASN 2 -2.390 11.764 8.856 14 HB2 ASN 2 2HB ASN 2 -3.611 14.127 7.383 15 HB3 ASN 2 3HB ASN 2 -3.595 12.465 6.778 16 HD21 ASN 2 1HD2 ASN 2 -5.396 14.713 8.318 17 HD22 ASN 2 2HD2 ASN 2 -6.556 13.674 9.077 18 H ILE 3 H ILE 3 -0.796 10.892 7.567 19 HA ILE 3 HA ILE 3 0.940 12.823 6.198 20 HB ILE 3 HB ILE 3 1.461 9.956 7.137 21 HG12 ILE 3 2HG1 ILE 3 2.714 12.600 8.015 22 HG13 ILE 3 3HG1 ILE 3 1.406 11.785 8.882 23 HG21 ILE 3 1HG2 ILE 3 3.778 10.327 6.360 24 HG22 ILE 3 2HG2 ILE 3 2.599 10.400 5.007 25 HG23 ILE 3 3HG2 ILE 3 3.291 11.916 5.678 26 HD11 ILE 3 3HD1 ILE 3 4.182 10.633 8.353 27 HD12 ILE 3 1HD1 ILE 3 3.582 11.302 9.908 28 HD13 ILE 3 2HD1 ILE 3 2.854 9.805 9.234 29 H THR 4 H THR 4 1.088 12.761 3.952 30 HA THR 4 HA THR 4 -0.363 10.547 2.670 31 HB THR 4 HB THR 4 -0.143 13.474 1.792 32 HG1 THR 4 HG1 THR 4 -2.466 13.419 2.227 33 HG21 THR 4 3HG2 THR 4 -1.655 11.112 0.573 34 HG22 THR 4 1HG2 THR 4 -1.748 12.818 0.021 35 HG23 THR 4 2HG2 THR 4 -0.203 11.912 -0.118 36 H VAL 5 H VAL 5 0.699 9.459 0.988 37 HA VAL 5 HA VAL 5 3.076 10.793 -0.102 38 HB VAL 5 HB VAL 5 4.124 8.529 -0.340 39 HG11 VAL 5 1HG1 VAL 5 4.754 8.270 2.039 40 HG12 VAL 5 2HG1 VAL 5 4.732 9.995 1.538 41 HG13 VAL 5 3HG1 VAL 5 3.381 9.326 2.514 42 HG21 VAL 5 3HG2 VAL 5 2.075 7.173 -0.286 43 HG22 VAL 5 1HG2 VAL 5 3.225 6.646 0.989 44 HG23 VAL 5 2HG2 VAL 5 1.795 7.642 1.425 45 H GLU 6 H GLU 6 3.628 10.040 -2.371 46 HA GLU 6 HA GLU 6 1.301 9.029 -3.813 47 HB2 GLU 6 2HB GLU 6 0.951 11.501 -3.474 48 HB3 GLU 6 3HB GLU 6 2.490 11.804 -4.290 49 HG2 GLU 6 2HG GLU 6 1.607 10.759 -6.368 50 HG3 GLU 6 3HG GLU 6 0.074 10.420 -5.555 51 H THR 7 H THR 7 1.853 8.096 -5.823 52 HA THR 7 HA THR 7 4.375 8.887 -6.998 53 HB THR 7 HB THR 7 4.826 6.859 -5.492 54 HG1 THR 7 HG1 THR 7 5.842 7.526 -7.739 55 HG21 THR 7 3HG2 THR 7 3.125 5.483 -7.628 56 HG22 THR 7 1HG2 THR 7 4.101 4.658 -6.367 57 HG23 THR 7 2HG2 THR 7 2.699 5.675 -5.894 58 H THR 8 H THR 8 4.324 8.760 -9.288 59 HA THR 8 HA THR 8 1.776 7.784 -10.366 60 HB THR 8 HB THR 8 3.782 9.821 -11.469 61 HG1 THR 8 HG1 THR 8 1.951 11.272 -11.112 62 HG21 THR 8 3HG2 THR 8 1.103 8.859 -12.588 63 HG22 THR 8 1HG2 THR 8 2.100 10.198 -13.250 64 HG23 THR 8 2HG2 THR 8 2.725 8.514 -13.278 65 H VAL 9 H VAL 9 1.784 6.077 -11.833 66 HA VAL 9 HA VAL 9 4.458 5.136 -12.615 67 HB VAL 9 HB VAL 9 3.543 2.838 -12.502 68 HG11 VAL 9 1HG1 VAL 9 3.335 2.668 -10.041 69 HG12 VAL 9 2HG1 VAL 9 4.665 3.774 -10.525 70 HG13 VAL 9 3HG1 VAL 9 3.105 4.446 -9.943 71 HG21 VAL 9 3HG2 VAL 9 1.190 3.352 -12.995 72 HG22 VAL 9 1HG2 VAL 9 1.335 2.425 -11.463 73 HG23 VAL 9 2HG2 VAL 9 1.031 4.195 -11.417 74 H ALA 10 H ALA 10 4.722 4.338 -14.774 75 HA ALA 10 HA ALA 10 2.512 4.945 -16.589 76 HB1 ALA 10 3HB ALA 10 5.405 4.066 -17.057 77 HB2 ALA 10 1HB ALA 10 4.225 4.512 -18.335 78 HB3 ALA 10 2HB ALA 10 4.775 5.745 -17.151 79 H ALA 11 H ALA 11 1.095 3.165 -15.777 80 HA ALA 11 HA ALA 11 1.710 0.726 -17.249 81 HB1 ALA 11 3HB ALA 11 1.065 0.786 -14.261 82 HB2 ALA 11 1HB ALA 11 1.135 -0.684 -15.290 83 HB3 ALA 11 2HB ALA 11 2.621 0.284 -15.005 84 HA PRO 12 HA PRO 12 -2.606 0.682 -18.179 85 HB2 PRO 12 2HB PRO 12 -2.633 -2.199 -17.189 86 HB3 PRO 12 3HB PRO 12 -3.139 -1.573 -18.764 87 HG2 PRO 12 2HG PRO 12 -0.833 -2.891 -18.572 88 HG3 PRO 12 3HG PRO 12 -0.916 -1.440 -19.580 89 HD2 PRO 12 2HD PRO 12 0.252 -1.753 -16.785 90 HD3 PRO 12 3HD PRO 12 0.892 -0.841 -18.158 91 H VAL 13 H VAL 13 -4.575 1.111 -17.275 92 HA VAL 13 HA VAL 13 -4.299 1.892 -14.598 93 HB VAL 13 HB VAL 13 -5.723 2.992 -16.404 94 HG11 VAL 13 1HG1 VAL 13 -8.026 2.141 -16.709 95 HG12 VAL 13 2HG1 VAL 13 -6.797 0.964 -17.282 96 HG13 VAL 13 3HG1 VAL 13 -7.623 0.705 -15.709 97 HG21 VAL 13 3HG2 VAL 13 -5.914 3.613 -14.034 98 HG22 VAL 13 1HG2 VAL 13 -7.518 3.665 -14.840 99 HG23 VAL 13 2HG2 VAL 13 -7.096 2.287 -13.769 100 H GLY 14 H GLY 14 -5.822 -0.985 -16.164 101 HA2 GLY 14 2HA GLY 14 -7.242 -1.853 -13.872 102 HA3 GLY 14 3HA GLY 14 -6.763 -2.819 -15.273 103 H LYS 15 H LYS 15 -3.893 -2.574 -15.145 104 HA LYS 15 HA LYS 15 -3.336 -4.538 -13.201 105 HB2 LYS 15 2HB LYS 15 -1.590 -2.717 -14.919 106 HB3 LYS 15 3HB LYS 15 -0.923 -3.956 -13.848 107 HG2 LYS 15 2HG LYS 15 -2.269 -5.695 -15.101 108 HG3 LYS 15 3HG LYS 15 -2.798 -4.430 -16.218 109 HD2 LYS 15 2HD LYS 15 -0.382 -3.937 -16.756 110 HD3 LYS 15 3HD LYS 15 0.103 -5.267 -15.695 111 HE2 LYS 15 2HE LYS 15 -1.216 -6.868 -17.093 112 HE3 LYS 15 3HE LYS 15 -1.709 -5.539 -18.152 113 HZ1 LYS 15 3HZ LYS 15 1.073 -6.420 -17.712 114 HZ2 LYS 15 1HZ LYS 15 0.171 -6.725 -19.039 115 HZ3 LYS 15 2HZ LYS 15 0.617 -5.194 -18.689 116 H VAL 16 H VAL 16 -2.989 -0.936 -13.230 117 HA VAL 16 HA VAL 16 -1.355 -0.886 -10.916 118 HB VAL 16 HB VAL 16 -3.087 1.231 -12.284 119 HG11 VAL 16 1HG1 VAL 16 -1.824 2.887 -10.945 120 HG12 VAL 16 2HG1 VAL 16 -2.799 1.792 -9.908 121 HG13 VAL 16 3HG1 VAL 16 -1.026 1.549 -10.052 122 HG21 VAL 16 3HG2 VAL 16 -1.208 0.406 -13.636 123 HG22 VAL 16 1HG2 VAL 16 -0.910 2.091 -13.089 124 HG23 VAL 16 2HG2 VAL 16 -0.075 0.723 -12.279 125 H TRP 17 H TRP 17 -4.927 -0.468 -11.515 126 HA TRP 17 HA TRP 17 -5.573 0.197 -8.862 127 HB2 TRP 17 2HB TRP 17 -7.116 -1.075 -11.166 128 HB3 TRP 17 3HB TRP 17 -7.870 -0.728 -9.604 129 HD1 TRP 17 HD1 TRP 17 -5.354 1.926 -10.449 130 HE1 TRP 17 HE1 TRP 17 -6.549 4.049 -11.312 131 HE3 TRP 17 HE3 TRP 17 -10.051 -0.031 -11.168 132 HZ2 TRP 17 HZ2 TRP 17 -9.117 4.802 -12.180 133 HZ3 TRP 17 HZ3 TRP 17 -11.846 1.466 -12.027 134 HH2 TRP 17 HH2 TRP 17 -11.396 3.819 -12.525 135 H ARG 18 H ARG 18 -5.338 -3.008 -10.578 136 HA ARG 18 HA ARG 18 -6.348 -4.491 -8.408 137 HB2 ARG 18 2HB ARG 18 -4.649 -5.224 -10.796 138 HB3 ARG 18 3HB ARG 18 -5.136 -6.402 -9.570 139 HG2 ARG 18 2HG ARG 18 -7.510 -5.955 -10.035 140 HG3 ARG 18 3HG ARG 18 -7.070 -4.695 -11.196 141 HD2 ARG 18 2HD ARG 18 -5.946 -6.372 -12.590 142 HD3 ARG 18 3HD ARG 18 -6.383 -7.632 -11.428 143 HE ARG 18 HE ARG 18 -8.772 -6.378 -12.195 144 HH11 ARG 18 1HH1 ARG 18 -6.214 -8.212 -13.759 145 HH12 ARG 18 2HH1 ARG 18 -7.273 -8.895 -14.947 146 HH21 ARG 18 1HH2 ARG 18 -10.115 -7.250 -13.732 147 HH22 ARG 18 2HH2 ARG 18 -9.512 -8.343 -14.933 148 H ALA 19 H ALA 19 -3.185 -3.005 -9.021 149 HA ALA 19 HA ALA 19 -1.737 -4.888 -7.409 150 HB1 ALA 19 3HB ALA 19 -1.028 -2.118 -8.499 151 HB2 ALA 19 1HB ALA 19 0.122 -3.274 -7.746 152 HB3 ALA 19 2HB ALA 19 -0.689 -3.693 -9.293 153 H TYR 20 H TYR 20 -4.032 -2.589 -6.538 154 HA TYR 20 HA TYR 20 -2.805 -0.941 -4.710 155 HB2 TYR 20 2HB TYR 20 -4.957 -0.446 -3.975 156 HB3 TYR 20 3HB TYR 20 -5.266 -1.074 -5.599 157 HD1 TYR 20 HD1 TYR 20 -6.095 -3.450 -5.873 158 HD2 TYR 20 HD2 TYR 20 -5.832 -1.547 -2.035 159 HE1 TYR 20 HE1 TYR 20 -7.634 -5.145 -4.931 160 HE2 TYR 20 HE2 TYR 20 -7.368 -3.239 -1.085 161 HH TYR 20 HH TYR 20 -8.594 -5.036 -1.460 162 H THR 21 H THR 21 -3.770 -4.404 -4.353 163 HA THR 21 HA THR 21 -1.971 -4.425 -2.065 164 HB THR 21 HB THR 21 -4.725 -5.766 -2.030 165 HG1 THR 21 HG1 THR 21 -5.289 -3.775 -1.397 166 HG21 THR 21 3HG2 THR 21 -2.526 -5.557 0.084 167 HG22 THR 21 1HG2 THR 21 -4.144 -6.298 0.319 168 HG23 THR 21 2HG2 THR 21 -2.978 -7.033 -0.832 169 H THR 22 H THR 22 -0.669 -5.330 -4.015 170 HA THR 22 HA THR 22 -1.272 -8.187 -4.271 171 HB THR 22 HB THR 22 0.671 -6.380 -5.802 172 HG1 THR 22 HG1 THR 22 -0.822 -6.888 -7.563 173 HG21 THR 22 3HG2 THR 22 0.017 -9.347 -6.158 174 HG22 THR 22 1HG2 THR 22 1.046 -8.358 -7.247 175 HG23 THR 22 2HG2 THR 22 1.567 -8.667 -5.557 176 HA PRO 23 HA PRO 23 1.840 -8.866 -1.180 177 HB2 PRO 23 2HB PRO 23 2.101 -11.633 -1.661 178 HB3 PRO 23 3HB PRO 23 0.742 -10.964 -0.749 179 HG2 PRO 23 2HG PRO 23 0.883 -11.734 -3.677 180 HG3 PRO 23 3HG PRO 23 -0.401 -12.052 -2.502 181 HD2 PRO 23 2HD PRO 23 -0.659 -10.036 -4.293 182 HD3 PRO 23 3HD PRO 23 -1.264 -9.837 -2.643 183 H GLU 24 H GLU 24 2.324 -10.025 -4.558 184 HA GLU 24 HA GLU 24 5.093 -10.440 -4.283 185 HB2 GLU 24 2HB GLU 24 3.308 -9.673 -6.638 186 HB3 GLU 24 3HB GLU 24 5.038 -10.000 -6.807 187 HG2 GLU 24 2HG GLU 24 4.715 -12.306 -5.974 188 HG3 GLU 24 3HG GLU 24 2.997 -11.991 -5.697 189 H ASP 25 H ASP 25 3.116 -7.472 -4.921 190 HA ASP 25 HA ASP 25 5.374 -5.790 -5.314 191 HB2 ASP 25 2HB ASP 25 2.485 -5.308 -4.461 192 HB3 ASP 25 3HB ASP 25 3.656 -3.998 -4.665 193 H ILE 26 H ILE 26 3.475 -6.841 -2.404 194 HA ILE 26 HA ILE 26 4.634 -4.986 -0.661 195 HB ILE 26 HB ILE 26 3.351 -7.727 -0.245 196 HG12 ILE 26 2HG1 ILE 26 2.365 -4.926 0.465 197 HG13 ILE 26 3HG1 ILE 26 1.995 -5.728 -1.068 198 HG21 ILE 26 1HG2 ILE 26 3.264 -7.184 2.165 199 HG22 ILE 26 2HG2 ILE 26 4.953 -7.342 1.576 200 HG23 ILE 26 3HG2 ILE 26 4.252 -5.715 1.866 201 HD11 ILE 26 3HD1 ILE 26 1.261 -6.763 1.707 202 HD12 ILE 26 1HD1 ILE 26 0.152 -5.982 0.531 203 HD13 ILE 26 2HD1 ILE 26 0.886 -7.577 0.151 204 H LYS 27 H LYS 27 5.761 -8.152 -1.925 205 HA LYS 27 HA LYS 27 7.762 -8.692 -0.077 206 HB2 LYS 27 2HB LYS 27 7.512 -9.150 -3.079 207 HB3 LYS 27 3HB LYS 27 8.903 -9.726 -2.151 208 HG2 LYS 27 2HG LYS 27 7.402 -11.091 -0.718 209 HG3 LYS 27 3HG LYS 27 5.992 -10.488 -1.598 210 HD2 LYS 27 2HD LYS 27 6.931 -11.454 -3.725 211 HD3 LYS 27 3HD LYS 27 8.304 -12.093 -2.812 212 HE2 LYS 27 2HE LYS 27 6.744 -13.440 -1.399 213 HE3 LYS 27 3HE LYS 27 5.365 -12.793 -2.299 214 HZ1 LYS 27 3HZ LYS 27 7.546 -14.407 -3.458 215 HZ2 LYS 27 1HZ LYS 27 6.037 -14.935 -3.129 216 HZ3 LYS 27 2HZ LYS 27 6.274 -13.810 -4.289 217 H GLN 28 H GLN 28 7.573 -6.173 -2.618 218 HA GLN 28 HA GLN 28 10.376 -5.548 -2.405 219 HB2 GLN 28 2HB GLN 28 8.006 -4.019 -3.595 220 HB3 GLN 28 3HB GLN 28 9.705 -3.560 -3.770 221 HG2 GLN 28 2HG GLN 28 8.402 -6.114 -4.824 222 HG3 GLN 28 3HG GLN 28 8.883 -4.707 -5.782 223 HE21 GLN 28 1HE2 GLN 28 9.745 -7.725 -5.398 224 HE22 GLN 28 2HE2 GLN 28 11.474 -7.632 -5.448 225 H TRP 29 H TRP 29 7.505 -4.906 -0.511 226 HA TRP 29 HA TRP 29 8.588 -2.418 0.553 227 HB2 TRP 29 2HB TRP 29 6.081 -4.046 1.206 228 HB3 TRP 29 3HB TRP 29 6.499 -2.493 1.942 229 HD1 TRP 29 HD1 TRP 29 7.515 -2.243 -1.596 230 HE1 TRP 29 HE1 TRP 29 5.714 -1.032 -3.004 231 HE3 TRP 29 HE3 TRP 29 3.618 -2.435 1.748 232 HZ2 TRP 29 HZ2 TRP 29 3.020 -0.266 -2.745 233 HZ3 TRP 29 HZ3 TRP 29 1.437 -1.432 1.094 234 HH2 TRP 29 HH2 TRP 29 1.138 -0.377 -1.095 235 H ASN 30 H ASN 30 10.103 -5.035 0.903 236 HA ASN 30 HA ASN 30 9.424 -6.189 3.366 237 HB2 ASN 30 2HB ASN 30 11.516 -7.365 3.188 238 HB3 ASN 30 3HB ASN 30 10.737 -7.307 1.601 239 HD21 ASN 30 1HD2 ASN 30 12.051 -6.945 0.006 240 HD22 ASN 30 2HD2 ASN 30 13.457 -5.933 0.025 241 H ALA 31 H ALA 31 11.146 -6.318 5.259 242 HA ALA 31 HA ALA 31 11.300 -3.539 6.130 243 HB1 ALA 31 3HB ALA 31 11.583 -6.198 7.613 244 HB2 ALA 31 1HB ALA 31 11.575 -4.571 8.372 245 HB3 ALA 31 2HB ALA 31 10.108 -5.176 7.531 246 H ALA 32 H ALA 32 13.438 -6.477 5.829 247 HA ALA 32 HA ALA 32 15.695 -4.769 6.616 248 HB1 ALA 32 3HB ALA 32 15.406 -7.802 6.352 249 HB2 ALA 32 1HB ALA 32 16.882 -6.933 6.893 250 HB3 ALA 32 2HB ALA 32 15.384 -6.859 7.880 251 H SER 33 H SER 33 15.620 -7.684 4.443 252 HA SER 33 HA SER 33 16.410 -6.022 2.188 253 HB2 SER 33 2HB SER 33 18.541 -6.401 3.335 254 HB3 SER 33 3HB SER 33 18.211 -8.134 3.456 255 HG SER 33 HG SER 33 19.609 -7.620 1.684 256 H ASP 34 H ASP 34 16.353 -7.223 0.135 257 HA ASP 34 HA ASP 34 14.206 -9.110 0.185 258 HB2 ASP 34 2HB ASP 34 14.417 -9.039 -2.243 259 HB3 ASP 34 3HB ASP 34 14.459 -7.400 -1.580 260 H ASP 35 H ASP 35 17.422 -9.549 0.989 261 HA ASP 35 HA ASP 35 17.479 -12.225 -0.248 262 HB2 ASP 35 2HB ASP 35 19.718 -10.491 0.903 263 HB3 ASP 35 3HB ASP 35 19.922 -12.144 0.307 264 H TRP 36 H TRP 36 17.648 -10.354 2.838 265 HA TRP 36 HA TRP 36 18.112 -12.898 4.250 266 HB2 TRP 36 2HB TRP 36 18.563 -9.998 5.117 267 HB3 TRP 36 3HB TRP 36 18.885 -11.425 6.110 268 HD1 TRP 36 HD1 TRP 36 20.431 -9.249 3.427 269 HE1 TRP 36 HE1 TRP 36 22.777 -10.147 2.813 270 HE3 TRP 36 HE3 TRP 36 20.219 -13.771 5.856 271 HZ2 TRP 36 HZ2 TRP 36 24.328 -12.444 3.287 272 HZ3 TRP 36 HZ3 TRP 36 22.192 -15.285 5.731 273 HH2 TRP 36 HH2 TRP 36 24.200 -14.641 4.484 274 H HIS 37 H HIS 37 15.553 -10.952 3.308 275 HA HIS 37 HA HIS 37 14.148 -11.417 5.862 276 HB2 HIS 37 2HB HIS 37 14.541 -8.988 5.178 277 HB3 HIS 37 3HB HIS 37 13.538 -9.291 3.753 278 HD2 HIS 37 HD2 HIS 37 13.119 -8.922 7.661 279 HE1 HIS 37 HE1 HIS 37 9.244 -8.942 5.845 280 H THR 38 H THR 38 12.254 -12.632 5.791 281 HA THR 38 HA THR 38 11.371 -13.446 3.123 282 HB THR 38 HB THR 38 10.759 -14.577 5.905 283 HG1 THR 38 HG1 THR 38 12.019 -16.382 5.050 284 HG21 THR 38 3HG2 THR 38 9.930 -15.559 3.130 285 HG22 THR 38 1HG2 THR 38 9.651 -16.422 4.680 286 HG23 THR 38 2HG2 THR 38 8.845 -14.847 4.372 287 H THR 39 H THR 39 9.536 -12.516 2.265 288 HA THR 39 HA THR 39 7.693 -11.274 4.190 289 HB THR 39 HB THR 39 8.429 -10.339 1.367 290 HG1 THR 39 HG1 THR 39 9.705 -9.965 3.655 291 HG21 THR 39 3HG2 THR 39 6.547 -9.139 3.456 292 HG22 THR 39 1HG2 THR 39 6.998 -8.386 1.889 293 HG23 THR 39 2HG2 THR 39 6.060 -9.917 1.912 294 H ALA 40 H ALA 40 5.664 -12.208 4.167 295 HA ALA 40 HA ALA 40 4.638 -13.016 1.531 296 HB1 ALA 40 3HB ALA 40 4.342 -14.536 4.170 297 HB2 ALA 40 1HB ALA 40 3.500 -14.930 2.634 298 HB3 ALA 40 2HB ALA 40 5.288 -15.065 2.738 299 H ALA 41 H ALA 41 2.453 -12.493 1.150 300 HA ALA 41 HA ALA 41 1.071 -11.158 3.382 301 HB1 ALA 41 3HB ALA 41 1.347 -10.171 0.501 302 HB2 ALA 41 1HB ALA 41 0.306 -9.436 1.766 303 HB3 ALA 41 2HB ALA 41 2.091 -9.428 1.957 304 H THR 42 H THR 42 -1.096 -11.687 3.586 305 HA THR 42 HA THR 42 -2.286 -13.067 1.279 306 HB THR 42 HB THR 42 -2.765 -13.569 4.263 307 HG1 THR 42 HG1 THR 42 -1.895 -15.688 3.683 308 HG21 THR 42 3HG2 THR 42 -4.008 -14.869 1.789 309 HG22 THR 42 1HG2 THR 42 -4.264 -15.385 3.490 310 HG23 THR 42 2HG2 THR 42 -4.841 -13.775 2.943 311 H VAL 43 H VAL 43 -4.274 -12.256 0.561 312 HA VAL 43 HA VAL 43 -5.504 -10.204 2.253 313 HB VAL 43 HB VAL 43 -4.034 -9.052 0.630 314 HG11 VAL 43 1HG1 VAL 43 -4.475 -9.226 -1.800 315 HG12 VAL 43 2HG1 VAL 43 -3.952 -10.795 -1.101 316 HG13 VAL 43 3HG1 VAL 43 -5.684 -10.515 -1.483 317 HG21 VAL 43 3HG2 VAL 43 -6.160 -7.994 1.272 318 HG22 VAL 43 1HG2 VAL 43 -5.747 -7.613 -0.434 319 HG23 VAL 43 2HG2 VAL 43 -7.002 -8.844 -0.067 320 H ASP 44 H ASP 44 -7.759 -10.398 2.328 321 HA ASP 44 HA ASP 44 -9.057 -11.977 0.238 322 HB2 ASP 44 2HB ASP 44 -9.665 -12.305 2.637 323 HB3 ASP 44 3HB ASP 44 -10.142 -10.606 2.747 324 H LEU 45 H LEU 45 -9.534 -10.912 -1.657 325 HA LEU 45 HA LEU 45 -9.415 -8.029 -1.641 326 HB2 LEU 45 2HB LEU 45 -9.904 -10.086 -3.852 327 HB3 LEU 45 3HB LEU 45 -9.693 -8.350 -4.117 328 HG LEU 45 HG LEU 45 -7.583 -10.209 -2.899 329 HD11 LEU 45 1HD1 LEU 45 -6.414 -9.895 -5.048 330 HD12 LEU 45 2HD1 LEU 45 -8.010 -10.687 -5.276 331 HD13 LEU 45 3HD1 LEU 45 -7.806 -8.946 -5.669 332 HD21 LEU 45 3HD2 LEU 45 -7.451 -7.883 -2.080 333 HD22 LEU 45 1HD2 LEU 45 -6.091 -8.258 -3.192 334 HD23 LEU 45 2HD2 LEU 45 -7.482 -7.281 -3.772 335 H ARG 46 H ARG 46 -11.350 -7.543 -0.318 336 HA ARG 46 HA ARG 46 -13.565 -7.054 -2.025 337 HB2 ARG 46 2HB ARG 46 -15.272 -8.285 -0.898 338 HB3 ARG 46 3HB ARG 46 -14.055 -9.392 -1.548 339 HG2 ARG 46 2HG ARG 46 -13.047 -9.604 0.719 340 HG3 ARG 46 3HG ARG 46 -14.280 -8.512 1.364 341 HD2 ARG 46 2HD ARG 46 -16.031 -10.072 0.814 342 HD3 ARG 46 3HD ARG 46 -14.884 -11.133 -0.015 343 HE ARG 46 HE ARG 46 -14.137 -11.931 2.040 344 HH11 ARG 46 1HH1 ARG 46 -16.282 -9.199 2.574 345 HH12 ARG 46 2HH1 ARG 46 -16.478 -9.534 4.261 346 HH21 ARG 46 1HH2 ARG 46 -14.387 -12.343 4.206 347 HH22 ARG 46 2HH2 ARG 46 -15.390 -11.340 5.200 348 H GLU 47 H GLU 47 -15.184 -5.618 -0.962 349 HA GLU 47 HA GLU 47 -14.232 -4.009 1.134 350 HB2 GLU 47 2HB GLU 47 -16.005 -3.392 -0.519 351 HB3 GLU 47 3HB GLU 47 -17.093 -4.577 0.217 352 HG2 GLU 47 2HG GLU 47 -17.046 -3.322 2.357 353 HG3 GLU 47 3HG GLU 47 -15.909 -2.157 1.667 354 H GLY 48 H GLY 48 -14.157 -4.313 3.339 355 HA2 GLY 48 2HA GLY 48 -14.867 -5.119 5.369 356 HA3 GLY 48 3HA GLY 48 -15.991 -6.218 4.559 357 H GLY 49 H GLY 49 -13.106 -6.601 2.850 358 HA2 GLY 49 2HA GLY 49 -12.797 -9.215 3.927 359 HA3 GLY 49 3HA GLY 49 -11.822 -8.438 2.673 360 H ALA 50 H ALA 50 -10.722 -10.142 4.748 361 HA ALA 50 HA ALA 50 -9.440 -8.218 6.559 362 HB1 ALA 50 3HB ALA 50 -9.535 -11.276 6.531 363 HB2 ALA 50 1HB ALA 50 -8.719 -10.264 7.770 364 HB3 ALA 50 2HB ALA 50 -10.504 -10.191 7.584 365 H PHE 51 H PHE 51 -7.120 -8.126 6.771 366 HA PHE 51 HA PHE 51 -5.649 -9.526 4.636 367 HB2 PHE 51 2HB PHE 51 -5.933 -7.207 3.924 368 HB3 PHE 51 3HB PHE 51 -5.424 -6.607 5.508 369 HD1 PHE 51 HD1 PHE 51 -4.245 -8.454 2.482 370 HD2 PHE 51 HD2 PHE 51 -3.130 -6.287 6.021 371 HE1 PHE 51 HE1 PHE 51 -1.896 -8.391 1.706 372 HE2 PHE 51 HE2 PHE 51 -0.783 -6.223 5.242 373 HZ PHE 51 HZ PHE 51 -0.162 -7.272 3.080 374 H SER 52 H SER 52 -3.573 -10.298 5.224 375 HA SER 52 HA SER 52 -2.519 -9.504 7.824 376 HB2 SER 52 2HB SER 52 -3.955 -11.430 8.347 377 HB3 SER 52 3HB SER 52 -3.207 -12.377 7.054 378 HG SER 52 HG SER 52 -2.311 -12.855 9.134 379 H SER 53 H SER 53 -0.330 -9.217 7.680 380 HA SER 53 HA SER 53 1.015 -10.540 5.404 381 HB2 SER 53 2HB SER 53 0.885 -8.115 5.118 382 HB3 SER 53 3HB SER 53 1.505 -7.847 6.753 383 HG SER 53 HG SER 53 3.147 -7.632 5.136 384 H ARG 54 H ARG 54 2.663 -11.933 5.888 385 HA ARG 54 HA ARG 54 3.556 -11.934 8.691 386 HB2 ARG 54 2HB ARG 54 2.412 -13.969 7.992 387 HB3 ARG 54 3HB ARG 54 3.542 -14.171 6.647 388 HG2 ARG 54 2HG ARG 54 5.413 -14.465 8.213 389 HG3 ARG 54 3HG ARG 54 4.346 -14.152 9.589 390 HD2 ARG 54 2HD ARG 54 3.054 -16.148 9.079 391 HD3 ARG 54 3HD ARG 54 4.041 -16.446 7.642 392 HE ARG 54 HE ARG 54 5.756 -16.319 9.893 393 HH11 ARG 54 1HH1 ARG 54 3.215 -18.380 8.612 394 HH12 ARG 54 2HH1 ARG 54 3.869 -19.820 9.318 395 HH21 ARG 54 1HH2 ARG 54 6.578 -18.169 10.800 396 HH22 ARG 54 2HH2 ARG 54 5.800 -19.700 10.575 397 H MET 55 H MET 55 5.499 -10.943 9.003 398 HA MET 55 HA MET 55 7.519 -11.310 6.876 399 HB2 MET 55 2HB MET 55 7.053 -9.012 8.833 400 HB3 MET 55 3HB MET 55 8.503 -9.181 7.835 401 HG2 MET 55 2HG MET 55 7.048 -9.120 5.780 402 HG3 MET 55 3HG MET 55 5.642 -8.847 6.818 403 HE1 MET 55 3HE MET 55 5.161 -6.659 5.302 404 HE2 MET 55 1HE MET 55 6.351 -5.332 5.081 405 HE3 MET 55 2HE MET 55 6.668 -6.951 4.370 406 H GLU 56 H GLU 56 9.494 -12.202 7.451 407 HA GLU 56 HA GLU 56 10.144 -12.323 10.301 408 HB2 GLU 56 2HB GLU 56 10.009 -14.738 8.432 409 HB3 GLU 56 3HB GLU 56 10.761 -14.743 10.033 410 HG2 GLU 56 2HG GLU 56 8.526 -14.118 11.035 411 HG3 GLU 56 3HG GLU 56 7.805 -14.248 9.425 412 H ALA 57 H ALA 57 12.437 -12.511 10.709 413 HA ALA 57 HA ALA 57 14.129 -11.946 8.419 414 HB1 ALA 57 3HB ALA 57 14.714 -12.315 11.398 415 HB2 ALA 57 1HB ALA 57 15.895 -11.778 10.156 416 HB3 ALA 57 2HB ALA 57 14.472 -10.753 10.546 417 H LYS 58 H LYS 58 15.533 -13.374 7.416 418 HA LYS 58 HA LYS 58 14.975 -16.127 7.700 419 HB2 LYS 58 2HB LYS 58 17.134 -14.537 6.249 420 HB3 LYS 58 3HB LYS 58 17.040 -16.301 6.172 421 HG2 LYS 58 2HG LYS 58 14.682 -16.082 5.272 422 HG3 LYS 58 3HG LYS 58 14.898 -14.327 5.239 423 HD2 LYS 58 2HD LYS 58 16.886 -14.614 3.727 424 HD3 LYS 58 3HD LYS 58 16.635 -16.364 3.742 425 HE2 LYS 58 2HE LYS 58 14.349 -16.044 2.771 426 HE3 LYS 58 3HE LYS 58 14.601 -14.294 2.756 427 HZ1 LYS 58 3HZ LYS 58 16.107 -16.301 1.213 428 HZ2 LYS 58 1HZ LYS 58 15.110 -15.146 0.631 429 HZ3 LYS 58 2HZ LYS 58 16.539 -14.728 1.301 430 H ASP 59 H ASP 59 17.247 -13.960 9.343 431 HA ASP 59 HA ASP 59 18.938 -16.146 10.207 432 HB2 ASP 59 2HB ASP 59 20.134 -14.428 11.430 433 HB3 ASP 59 3HB ASP 59 19.838 -13.870 9.778 434 H GLY 60 H GLY 60 15.794 -15.094 11.039 435 HA2 GLY 60 2HA GLY 60 14.457 -15.997 12.605 436 HA3 GLY 60 3HA GLY 60 15.808 -17.003 13.144 437 H SER 61 H SER 61 16.448 -13.532 13.073 438 HA SER 61 HA SER 61 16.802 -13.626 15.941 439 HB2 SER 61 2HB SER 61 17.875 -11.479 15.626 440 HB3 SER 61 3HB SER 61 18.463 -12.603 14.394 441 HG SER 61 HG SER 61 17.169 -11.621 12.844 442 H MET 62 H MET 62 14.423 -12.354 13.603 443 HA MET 62 HA MET 62 12.749 -11.488 15.790 444 HB2 MET 62 2HB MET 62 12.550 -9.178 15.019 445 HB3 MET 62 3HB MET 62 14.213 -9.526 15.508 446 HG2 MET 62 2HG MET 62 14.760 -9.907 13.044 447 HG3 MET 62 3HG MET 62 13.139 -9.314 12.661 448 HE1 MET 62 3HE MET 62 16.935 -7.417 13.715 449 HE2 MET 62 1HE MET 62 16.080 -7.206 15.280 450 HE3 MET 62 2HE MET 62 16.247 -8.844 14.561 451 H GLY 63 H GLY 63 10.516 -10.998 15.044 452 HA2 GLY 63 2HA GLY 63 10.134 -11.320 12.141 453 HA3 GLY 63 3HA GLY 63 9.184 -12.299 13.266 454 H PHE 64 H PHE 64 7.558 -10.868 11.751 455 HA PHE 64 HA PHE 64 6.608 -8.753 13.493 456 HB2 PHE 64 2HB PHE 64 8.166 -7.537 12.040 457 HB3 PHE 64 3HB PHE 64 7.461 -8.278 10.597 458 HD1 PHE 64 HD1 PHE 64 6.454 -6.206 13.576 459 HD2 PHE 64 HD2 PHE 64 5.817 -7.123 9.427 460 HE1 PHE 64 HE1 PHE 64 4.828 -4.343 13.411 461 HE2 PHE 64 HE2 PHE 64 4.196 -5.260 9.264 462 HZ PHE 64 HZ PHE 64 3.697 -3.869 11.257 463 H ASP 65 H ASP 65 4.374 -8.719 13.518 464 HA ASP 65 HA ASP 65 3.049 -10.263 11.376 465 HB2 ASP 65 2HB ASP 65 3.100 -11.454 13.563 466 HB3 ASP 65 3HB ASP 65 2.344 -10.059 14.344 467 H PHE 66 H PHE 66 1.789 -8.964 10.111 468 HA PHE 66 HA PHE 66 0.599 -6.598 11.416 469 HB2 PHE 66 2HB PHE 66 2.291 -6.049 9.692 470 HB3 PHE 66 3HB PHE 66 1.444 -7.060 8.514 471 HD1 PHE 66 HD1 PHE 66 1.084 -4.007 10.643 472 HD2 PHE 66 HD2 PHE 66 -0.365 -6.205 7.247 473 HE1 PHE 66 HE1 PHE 66 -0.307 -2.071 9.981 474 HE2 PHE 66 HE2 PHE 66 -1.753 -4.266 6.587 475 HZ PHE 66 HZ PHE 66 -1.728 -2.196 7.954 476 H ALA 67 H ALA 67 -1.623 -6.394 11.381 477 HA ALA 67 HA ALA 67 -3.116 -8.063 9.497 478 HB1 ALA 67 3HB ALA 67 -3.498 -8.069 12.531 479 HB2 ALA 67 1HB ALA 67 -4.587 -8.851 11.336 480 HB3 ALA 67 2HB ALA 67 -2.900 -9.435 11.530 481 H GLY 68 H GLY 68 -5.221 -7.234 8.984 482 HA2 GLY 68 2HA GLY 68 -6.361 -5.118 10.529 483 HA3 GLY 68 3HA GLY 68 -5.587 -4.505 9.062 484 H THR 69 H THR 69 -8.210 -4.004 9.059 485 HA THR 69 HA THR 69 -9.252 -6.044 7.232 486 HB THR 69 HB THR 69 -11.529 -5.671 8.171 487 HG1 THR 69 HG1 THR 69 -11.660 -4.554 10.250 488 HG21 THR 69 3HG2 THR 69 -9.454 -6.519 10.253 489 HG22 THR 69 1HG2 THR 69 -11.207 -6.908 10.295 490 HG23 THR 69 2HG2 THR 69 -10.173 -7.568 8.984 491 H TYR 70 H TYR 70 -10.618 -5.201 5.518 492 HA TYR 70 HA TYR 70 -10.184 -2.379 4.993 493 HB2 TYR 70 2HB TYR 70 -11.478 -4.670 3.434 494 HB3 TYR 70 3HB TYR 70 -11.400 -3.007 2.838 495 HD1 TYR 70 HD1 TYR 70 -9.159 -1.957 2.350 496 HD2 TYR 70 HD2 TYR 70 -9.543 -6.112 3.375 497 HE1 TYR 70 HE1 TYR 70 -6.898 -2.390 1.440 498 HE2 TYR 70 HE2 TYR 70 -7.283 -6.545 2.469 499 HH TYR 70 HH TYR 70 -5.624 -4.309 0.498 500 H THR 71 H THR 71 -11.846 -0.798 4.747 501 HA THR 71 HA THR 71 -14.346 -1.600 6.061 502 HB THR 71 HB THR 71 -14.569 0.793 6.687 503 HG1 THR 71 HG1 THR 71 -13.191 2.296 5.928 504 HG21 THR 71 3HG2 THR 71 -11.856 -0.414 7.422 505 HG22 THR 71 1HG2 THR 71 -12.707 0.888 8.320 506 HG23 THR 71 2HG2 THR 71 -13.423 -0.757 8.230 507 H LYS 72 H LYS 72 -12.871 -0.248 3.123 508 HA LYS 72 HA LYS 72 -15.447 -0.243 1.831 509 HB2 LYS 72 2HB LYS 72 -15.418 1.995 2.904 510 HB3 LYS 72 3HB LYS 72 -13.850 2.342 2.162 511 HG2 LYS 72 2HG LYS 72 -14.877 2.194 -0.101 512 HG3 LYS 72 3HG LYS 72 -16.444 1.817 0.627 513 HD2 LYS 72 2HD LYS 72 -14.858 4.375 1.201 514 HD3 LYS 72 3HD LYS 72 -16.137 4.255 -0.014 515 HE2 LYS 72 2HE LYS 72 -17.762 3.571 1.761 516 HE3 LYS 72 3HE LYS 72 -16.483 3.685 2.977 517 HZ1 LYS 72 3HZ LYS 72 -17.462 5.923 1.325 518 HZ2 LYS 72 1HZ LYS 72 -17.810 5.674 2.900 519 HZ3 LYS 72 2HZ LYS 72 -16.281 6.029 2.447 520 H VAL 73 H VAL 73 -15.167 -0.902 -0.286 521 HA VAL 73 HA VAL 73 -12.670 -0.087 -1.571 522 HB VAL 73 HB VAL 73 -13.911 -2.883 -1.707 523 HG11 VAL 73 1HG1 VAL 73 -11.989 -3.425 -3.174 524 HG12 VAL 73 2HG1 VAL 73 -13.040 -2.155 -3.889 525 HG13 VAL 73 3HG1 VAL 73 -11.477 -1.704 -3.128 526 HG21 VAL 73 3HG2 VAL 73 -12.643 -2.500 0.363 527 HG22 VAL 73 1HG2 VAL 73 -11.762 -3.623 -0.727 528 HG23 VAL 73 2HG2 VAL 73 -11.240 -1.910 -0.591 529 H VAL 74 H VAL 74 -13.071 0.896 -3.544 530 HA VAL 74 HA VAL 74 -15.717 0.399 -4.716 531 HB VAL 74 HB VAL 74 -14.318 3.098 -4.349 532 HG11 VAL 74 1HG1 VAL 74 -16.360 4.050 -5.377 533 HG12 VAL 74 2HG1 VAL 74 -15.489 2.958 -6.507 534 HG13 VAL 74 3HG1 VAL 74 -16.977 2.390 -5.677 535 HG21 VAL 74 3HG2 VAL 74 -15.354 2.262 -2.282 536 HG22 VAL 74 1HG2 VAL 74 -16.282 3.650 -2.946 537 HG23 VAL 74 2HG2 VAL 74 -16.896 1.975 -3.156 538 H GLU 75 H GLU 75 -15.321 -0.555 -6.705 539 HA GLU 75 HA GLU 75 -14.468 -0.867 -8.745 540 HB2 GLU 75 2HB GLU 75 -14.298 2.180 -8.585 541 HB3 GLU 75 3HB GLU 75 -14.195 1.237 -10.077 542 HG2 GLU 75 2HG GLU 75 -16.507 0.369 -9.681 543 HG3 GLU 75 3HG GLU 75 -16.608 1.330 -8.199 544 H ASN 76 H ASN 76 -12.459 -1.125 -6.620 545 HA ASN 76 HA ASN 76 -10.270 -1.171 -6.292 546 HB2 ASN 76 2HB ASN 76 -10.179 -1.219 -9.332 547 HB3 ASN 76 3HB ASN 76 -8.874 -1.708 -8.243 548 HD21 ASN 76 1HD2 ASN 76 -11.305 -2.798 -10.130 549 HD22 ASN 76 2HD2 ASN 76 -11.516 -4.372 -9.439 550 H LYS 77 H LYS 77 -11.367 1.534 -6.260 551 HA LYS 77 HA LYS 77 -9.192 3.053 -7.530 552 HB2 LYS 77 2HB LYS 77 -11.210 3.033 -9.008 553 HB3 LYS 77 3HB LYS 77 -12.180 3.678 -7.677 554 HG2 LYS 77 2HG LYS 77 -10.808 5.746 -7.650 555 HG3 LYS 77 3HG LYS 77 -9.779 5.099 -8.935 556 HD2 LYS 77 2HD LYS 77 -11.684 5.026 -10.496 557 HD3 LYS 77 3HD LYS 77 -12.803 5.507 -9.214 558 HE2 LYS 77 2HE LYS 77 -12.281 7.472 -10.552 559 HE3 LYS 77 3HE LYS 77 -11.546 7.672 -8.956 560 HZ1 LYS 77 3HZ LYS 77 -9.991 6.536 -11.166 561 HZ2 LYS 77 1HZ LYS 77 -10.154 8.153 -11.011 562 HZ3 LYS 77 2HZ LYS 77 -9.455 7.285 -9.818 563 H ARG 78 H ARG 78 -11.788 2.796 -5.029 564 HA ARG 78 HA ARG 78 -10.109 4.604 -3.433 565 HB2 ARG 78 2HB ARG 78 -13.136 4.591 -3.535 566 HB3 ARG 78 3HB ARG 78 -12.170 5.405 -2.298 567 HG2 ARG 78 2HG ARG 78 -11.906 5.989 -5.275 568 HG3 ARG 78 3HG ARG 78 -13.031 6.846 -4.214 569 HD2 ARG 78 2HD ARG 78 -11.114 7.528 -2.796 570 HD3 ARG 78 3HD ARG 78 -10.021 6.742 -3.943 571 HE ARG 78 HE ARG 78 -11.431 9.277 -4.298 572 HH11 ARG 78 1HH1 ARG 78 -9.553 6.733 -5.834 573 HH12 ARG 78 2HH1 ARG 78 -9.127 7.714 -7.196 574 HH21 ARG 78 1HH2 ARG 78 -10.866 10.523 -6.042 575 HH22 ARG 78 2HH2 ARG 78 -9.879 9.890 -7.317 576 H ILE 79 H ILE 79 -9.247 3.480 -1.744 577 HA ILE 79 HA ILE 79 -10.890 1.304 -0.654 578 HB ILE 79 HB ILE 79 -7.890 1.290 -1.272 579 HG12 ILE 79 2HG1 ILE 79 -8.989 -0.990 -2.354 580 HG13 ILE 79 3HG1 ILE 79 -10.331 0.146 -2.547 581 HG21 ILE 79 1HG2 ILE 79 -7.889 -0.988 -0.312 582 HG22 ILE 79 2HG2 ILE 79 -8.325 0.252 0.911 583 HG23 ILE 79 3HG2 ILE 79 -9.603 -0.777 0.182 584 HD11 ILE 79 3HD1 ILE 79 -7.479 0.570 -3.546 585 HD12 ILE 79 1HD1 ILE 79 -8.904 0.117 -4.542 586 HD13 ILE 79 2HD1 ILE 79 -8.842 1.724 -3.742 587 H GLU 80 H GLU 80 -11.226 1.531 1.538 588 HA GLU 80 HA GLU 80 -9.219 3.107 3.023 589 HB2 GLU 80 2HB GLU 80 -11.584 4.023 2.872 590 HB3 GLU 80 3HB GLU 80 -12.146 2.577 3.720 591 HG2 GLU 80 2HG GLU 80 -10.740 3.166 5.684 592 HG3 GLU 80 3HG GLU 80 -10.139 4.596 4.836 593 H TYR 81 H TYR 81 -8.192 2.154 4.794 594 HA TYR 81 HA TYR 81 -8.990 -0.610 5.389 595 HB2 TYR 81 2HB TYR 81 -7.329 -0.761 3.600 596 HB3 TYR 81 3HB TYR 81 -6.254 0.365 4.440 597 HD1 TYR 81 HD1 TYR 81 -7.923 -2.979 4.881 598 HD2 TYR 81 HD2 TYR 81 -4.590 -0.461 5.871 599 HE1 TYR 81 HE1 TYR 81 -6.836 -4.878 6.039 600 HE2 TYR 81 HE2 TYR 81 -3.495 -2.358 7.024 601 HH TYR 81 HH TYR 81 -3.515 -4.608 7.305 602 H ALA 82 H ALA 82 -8.505 -1.292 7.512 603 HA ALA 82 HA ALA 82 -7.378 0.837 9.222 604 HB1 ALA 82 3HB ALA 82 -9.673 -1.107 9.779 605 HB2 ALA 82 1HB ALA 82 -8.975 0.056 10.956 606 HB3 ALA 82 2HB ALA 82 -9.820 0.660 9.491 607 H PHE 83 H PHE 83 -5.813 0.240 10.713 608 HA PHE 83 HA PHE 83 -5.422 -2.601 11.234 609 HB2 PHE 83 2HB PHE 83 -3.014 -2.449 10.653 610 HB3 PHE 83 3HB PHE 83 -4.064 -2.269 9.241 611 HD1 PHE 83 HD1 PHE 83 -4.334 -0.068 8.143 612 HD2 PHE 83 HD2 PHE 83 -1.643 -0.615 11.446 613 HE1 PHE 83 HE1 PHE 83 -3.209 2.063 7.580 614 HE2 PHE 83 HE2 PHE 83 -0.523 1.519 10.886 615 HZ PHE 83 HZ PHE 83 -1.304 2.864 8.954 616 H GLY 84 H GLY 84 -4.750 -2.945 13.349 617 HA2 GLY 84 2HA GLY 84 -4.170 -2.462 15.458 618 HA3 GLY 84 3HA GLY 84 -3.053 -1.270 14.781 619 H ASP 85 H ASP 85 -3.334 0.730 15.727 620 HA ASP 85 HA ASP 85 -6.127 1.598 16.122 621 HB2 ASP 85 2HB ASP 85 -5.211 3.172 17.789 622 HB3 ASP 85 3HB ASP 85 -4.883 1.489 18.223 623 H ARG 86 H ARG 86 -4.344 1.652 13.592 624 HA ARG 86 HA ARG 86 -4.745 4.528 13.154 625 HB2 ARG 86 2HB ARG 86 -2.358 2.907 12.234 626 HB3 ARG 86 3HB ARG 86 -2.775 4.522 11.646 627 HG2 ARG 86 2HG ARG 86 -2.217 3.853 14.566 628 HG3 ARG 86 3HG ARG 86 -0.997 4.446 13.431 629 HD2 ARG 86 2HD ARG 86 -2.377 6.475 13.069 630 HD3 ARG 86 3HD ARG 86 -3.514 5.886 14.289 631 HE ARG 86 HE ARG 86 -0.879 7.051 14.746 632 HH11 ARG 86 1HH1 ARG 86 -3.560 5.257 16.141 633 HH12 ARG 86 2HH1 ARG 86 -3.105 5.623 17.772 634 HH21 ARG 86 1HH2 ARG 86 -0.317 7.523 16.840 635 HH22 ARG 86 2HH2 ARG 86 -1.244 6.924 18.175 636 H THR 87 H THR 87 -4.949 5.048 10.732 637 HA THR 87 HA THR 87 -6.042 2.737 9.297 638 HB THR 87 HB THR 87 -7.908 4.143 8.480 639 HG1 THR 87 HG1 THR 87 -8.255 6.222 9.548 640 HG21 THR 87 3HG2 THR 87 -7.680 4.107 11.529 641 HG22 THR 87 1HG2 THR 87 -9.200 4.279 10.589 642 HG23 THR 87 2HG2 THR 87 -8.252 2.757 10.492 643 H ALA 88 H ALA 88 -6.163 3.117 6.880 644 HA ALA 88 HA ALA 88 -4.765 5.480 5.917 645 HB1 ALA 88 3HB ALA 88 -3.828 2.627 5.338 646 HB2 ALA 88 1HB ALA 88 -3.232 4.112 4.523 647 HB3 ALA 88 2HB ALA 88 -2.937 3.871 6.278 648 H LYS 89 H LYS 89 -5.117 5.855 3.599 649 HA LYS 89 HA LYS 89 -7.243 4.160 2.472 650 HB2 LYS 89 2HB LYS 89 -8.195 6.242 3.509 651 HB3 LYS 89 3HB LYS 89 -7.150 7.215 2.465 652 HG2 LYS 89 2HG LYS 89 -8.280 6.328 0.452 653 HG3 LYS 89 3HG LYS 89 -9.278 5.265 1.452 654 HD2 LYS 89 2HD LYS 89 -10.236 7.274 2.614 655 HD3 LYS 89 3HD LYS 89 -9.255 8.327 1.585 656 HE2 LYS 89 2HE LYS 89 -10.387 7.449 -0.441 657 HE3 LYS 89 3HE LYS 89 -11.324 6.321 0.547 658 HZ1 LYS 89 3HZ LYS 89 -11.460 9.262 0.733 659 HZ2 LYS 89 1HZ LYS 89 -12.574 8.295 0.033 660 HZ3 LYS 89 2HZ LYS 89 -12.325 8.220 1.645 661 H VAL 90 H VAL 90 -6.861 3.557 0.361 662 HA VAL 90 HA VAL 90 -4.649 4.943 -0.975 663 HB VAL 90 HB VAL 90 -5.881 2.188 -1.495 664 HG11 VAL 90 1HG1 VAL 90 -3.953 1.864 -3.013 665 HG12 VAL 90 2HG1 VAL 90 -5.002 3.220 -3.545 666 HG13 VAL 90 3HG1 VAL 90 -3.444 3.561 -2.721 667 HG21 VAL 90 3HG2 VAL 90 -4.625 2.276 0.615 668 HG22 VAL 90 1HG2 VAL 90 -3.736 1.320 -0.618 669 HG23 VAL 90 2HG2 VAL 90 -3.218 2.997 -0.237 670 H GLU 91 H GLU 91 -5.055 6.141 -2.826 671 HA GLU 91 HA GLU 91 -7.707 5.767 -4.067 672 HB2 GLU 91 2HB GLU 91 -6.204 8.383 -3.575 673 HB3 GLU 91 3HB GLU 91 -7.732 8.219 -4.451 674 HG2 GLU 91 2HG GLU 91 -8.808 7.343 -2.354 675 HG3 GLU 91 3HG GLU 91 -7.285 7.595 -1.491 676 H PHE 92 H PHE 92 -7.792 5.928 -6.353 677 HA PHE 92 HA PHE 92 -5.143 6.159 -7.643 678 HB2 PHE 92 2HB PHE 92 -7.563 4.425 -8.333 679 HB3 PHE 92 3HB PHE 92 -6.180 4.660 -9.410 680 HD1 PHE 92 HD1 PHE 92 -3.979 3.705 -8.866 681 HD2 PHE 92 HD2 PHE 92 -7.379 3.069 -6.317 682 HE1 PHE 92 HE1 PHE 92 -2.786 1.853 -7.738 683 HE2 PHE 92 HE2 PHE 92 -6.183 1.219 -5.187 684 HZ PHE 92 HZ PHE 92 -3.887 0.608 -5.894 685 H LEU 93 H LEU 93 -4.929 7.763 -9.168 686 HA LEU 93 HA LEU 93 -7.434 8.788 -10.354 687 HB2 LEU 93 2HB LEU 93 -6.378 10.484 -8.953 688 HB3 LEU 93 3HB LEU 93 -4.799 10.184 -9.691 689 HG LEU 93 HG LEU 93 -5.730 11.012 -11.902 690 HD11 LEU 93 1HD1 LEU 93 -7.847 12.280 -11.851 691 HD12 LEU 93 2HD1 LEU 93 -8.107 10.548 -11.451 692 HD13 LEU 93 3HD1 LEU 93 -8.107 11.782 -10.145 693 HD21 LEU 93 3HD2 LEU 93 -4.415 12.455 -10.392 694 HD22 LEU 93 1HD2 LEU 93 -5.699 13.391 -11.230 695 HD23 LEU 93 2HD2 LEU 93 -5.914 12.909 -9.513 696 H GLU 94 H GLU 94 -7.665 8.423 -12.520 697 HA GLU 94 HA GLU 94 -5.416 7.277 -13.943 698 HB2 GLU 94 2HB GLU 94 -7.713 6.347 -14.131 699 HB3 GLU 94 3HB GLU 94 -8.294 7.890 -14.771 700 HG2 GLU 94 2HG GLU 94 -6.790 7.637 -16.746 701 HG3 GLU 94 3HG GLU 94 -6.209 6.094 -16.106 702 H ALA 95 H ALA 95 -3.974 8.461 -15.126 703 HA ALA 95 HA ALA 95 -4.912 11.078 -16.120 704 HB1 ALA 95 3HB ALA 95 -2.102 10.114 -15.396 705 HB2 ALA 95 1HB ALA 95 -2.515 11.720 -16.085 706 HB3 ALA 95 2HB ALA 95 -3.111 11.263 -14.454 707 HA PRO 96 HA PRO 96 -4.155 9.722 -20.252 708 HB2 PRO 96 2HB PRO 96 -3.116 12.039 -21.395 709 HB3 PRO 96 3HB PRO 96 -4.826 11.919 -20.960 710 HG2 PRO 96 2HG PRO 96 -2.545 13.181 -19.397 711 HG3 PRO 96 3HG PRO 96 -4.165 13.820 -19.705 712 HD2 PRO 96 2HD PRO 96 -3.574 12.636 -17.333 713 HD3 PRO 96 3HD PRO 96 -5.173 12.435 -18.061 714 H GLN 97 H GLN 97 -1.429 10.997 -18.369 715 HA GLN 97 HA GLN 97 0.396 9.844 -20.352 716 HB2 GLN 97 2HB GLN 97 0.888 11.545 -17.855 717 HB3 GLN 97 3HB GLN 97 2.141 10.982 -18.969 718 HG2 GLN 97 2HG GLN 97 -0.150 12.887 -19.641 719 HG3 GLN 97 3HG GLN 97 1.546 13.328 -19.403 720 HE21 GLN 97 1HE2 GLN 97 -0.571 13.186 -21.750 721 HE22 GLN 97 2HE2 GLN 97 0.370 12.572 -23.069 722 H GLY 98 H GLY 98 -1.155 9.129 -17.272 723 HA2 GLY 98 2HA GLY 98 0.070 6.611 -17.047 724 HA3 GLY 98 3HA GLY 98 0.934 7.748 -16.003 725 H VAL 99 H VAL 99 -0.027 6.036 -14.371 726 HA VAL 99 HA VAL 99 -2.652 7.070 -13.543 727 HB VAL 99 HB VAL 99 -1.378 4.346 -12.975 728 HG11 VAL 99 1HG1 VAL 99 -3.565 3.791 -11.955 729 HG12 VAL 99 2HG1 VAL 99 -2.752 5.144 -11.100 730 HG13 VAL 99 3HG1 VAL 99 -4.113 5.480 -12.222 731 HG21 VAL 99 3HG2 VAL 99 -2.150 4.556 -15.300 732 HG22 VAL 99 1HG2 VAL 99 -3.219 3.453 -14.370 733 HG23 VAL 99 2HG2 VAL 99 -3.753 5.129 -14.730 734 H THR 100 H THR 100 -2.746 8.089 -11.542 735 HA THR 100 HA THR 100 -0.214 8.182 -10.092 736 HB THR 100 HB THR 100 -2.707 9.961 -10.009 737 HG1 THR 100 HG1 THR 100 0.023 10.495 -10.872 738 HG21 THR 100 3HG2 THR 100 -0.048 10.218 -8.521 739 HG22 THR 100 1HG2 THR 100 -1.367 11.437 -8.539 740 HG23 THR 100 2HG2 THR 100 -1.640 9.829 -7.787 741 H VAL 101 H VAL 101 0.018 7.183 -8.104 742 HA VAL 101 HA VAL 101 -2.464 6.201 -6.876 743 HB VAL 101 HB VAL 101 0.404 5.165 -6.609 744 HG11 VAL 101 1HG1 VAL 101 -0.650 3.254 -5.438 745 HG12 VAL 101 2HG1 VAL 101 -0.933 4.804 -4.577 746 HG13 VAL 101 3HG1 VAL 101 -2.246 4.068 -5.557 747 HG21 VAL 101 3HG2 VAL 101 -0.531 4.732 -8.842 748 HG22 VAL 101 1HG2 VAL 101 -0.418 3.212 -7.892 749 HG23 VAL 101 2HG2 VAL 101 -2.006 4.025 -8.101 750 H ARG 102 H ARG 102 -3.053 7.148 -4.947 751 HA ARG 102 HA ARG 102 -0.909 8.513 -3.459 752 HB2 ARG 102 2HB ARG 102 -2.344 10.127 -4.580 753 HB3 ARG 102 3HB ARG 102 -3.780 9.401 -3.845 754 HG2 ARG 102 2HG ARG 102 -2.949 10.010 -1.593 755 HG3 ARG 102 3HG ARG 102 -1.492 10.710 -2.310 756 HD2 ARG 102 2HD ARG 102 -4.316 11.643 -2.863 757 HD3 ARG 102 3HD ARG 102 -3.232 12.351 -1.658 758 HE ARG 102 HE ARG 102 -1.787 12.484 -3.995 759 HH11 ARG 102 1HH1 ARG 102 -5.006 13.554 -3.082 760 HH12 ARG 102 2HH1 ARG 102 -4.978 14.922 -4.143 761 HH21 ARG 102 1HH2 ARG 102 -1.767 14.234 -5.358 762 HH22 ARG 102 2HH2 ARG 102 -3.118 15.313 -5.452 763 H VAL 103 H VAL 103 -0.630 7.868 -1.358 764 HA VAL 103 HA VAL 103 -2.877 6.400 -0.157 765 HB VAL 103 HB VAL 103 0.122 5.892 0.199 766 HG11 VAL 103 1HG1 VAL 103 -0.603 3.935 1.533 767 HG12 VAL 103 2HG1 VAL 103 -1.154 5.482 2.260 768 HG13 VAL 103 3HG1 VAL 103 -2.314 4.453 1.353 769 HG21 VAL 103 3HG2 VAL 103 -0.700 5.121 -1.984 770 HG22 VAL 103 1HG2 VAL 103 -0.342 3.728 -0.909 771 HG23 VAL 103 2HG2 VAL 103 -2.042 4.238 -1.181 772 H SER 104 H SER 104 -3.645 7.340 1.714 773 HA SER 104 HA SER 104 -1.783 9.118 3.166 774 HB2 SER 104 2HB SER 104 -3.515 10.363 1.880 775 HB3 SER 104 3HB SER 104 -4.782 9.440 2.698 776 HG SER 104 HG SER 104 -3.149 11.526 3.646 777 H PHE 105 H PHE 105 -1.658 8.840 5.394 778 HA PHE 105 HA PHE 105 -3.508 6.912 6.598 779 HB2 PHE 105 2HB PHE 105 -1.691 5.536 7.423 780 HB3 PHE 105 3HB PHE 105 -1.601 5.614 5.658 781 HD1 PHE 105 HD1 PHE 105 0.131 7.063 4.561 782 HD2 PHE 105 HD2 PHE 105 0.075 6.380 8.802 783 HE1 PHE 105 HE1 PHE 105 2.482 7.824 4.715 784 HE2 PHE 105 HE2 PHE 105 2.426 7.145 8.954 785 HZ PHE 105 HZ PHE 105 3.632 7.867 6.912 786 H VAL 106 H VAL 106 -3.269 6.838 9.024 787 HA VAL 106 HA VAL 106 -2.812 9.516 9.971 788 HB VAL 106 HB VAL 106 -3.687 6.956 11.404 789 HG11 VAL 106 1HG1 VAL 106 -4.431 8.476 13.213 790 HG12 VAL 106 2HG1 VAL 106 -2.655 8.561 12.956 791 HG13 VAL 106 3HG1 VAL 106 -3.716 9.867 12.330 792 HG21 VAL 106 3HG2 VAL 106 -5.281 7.690 9.686 793 HG22 VAL 106 1HG2 VAL 106 -5.940 7.975 11.332 794 HG23 VAL 106 2HG2 VAL 106 -5.284 9.347 10.378 795 H ALA 107 H ALA 107 -1.099 10.232 11.275 796 HA ALA 107 HA ALA 107 1.287 8.733 11.064 797 HB1 ALA 107 3HB ALA 107 0.574 11.201 12.724 798 HB2 ALA 107 1HB ALA 107 2.235 10.599 12.402 799 HB3 ALA 107 2HB ALA 107 1.218 11.196 11.047 800 H GLU 108 H GLU 108 2.410 7.446 12.539 801 HA GLU 108 HA GLU 108 1.045 6.771 15.009 802 HB2 GLU 108 2HB GLU 108 2.145 5.042 13.597 803 HB3 GLU 108 3HB GLU 108 3.700 5.860 13.796 804 HG2 GLU 108 2HG GLU 108 3.549 3.928 15.299 805 HG3 GLU 108 3HG GLU 108 3.647 5.426 16.234 806 H THR 109 H THR 109 1.436 7.725 16.974 807 HA THR 109 HA THR 109 3.074 10.018 16.985 808 HB THR 109 HB THR 109 2.441 10.144 19.399 809 HG1 THR 109 HG1 THR 109 1.009 8.446 20.207 810 HG21 THR 109 3HG2 THR 109 0.146 9.361 17.534 811 HG22 THR 109 1HG2 THR 109 -0.010 10.291 19.063 812 HG23 THR 109 2HG2 THR 109 0.890 10.990 17.675 813 H GLU 110 H GLU 110 3.717 6.621 17.655 814 HA GLU 110 HA GLU 110 5.827 7.054 19.529 815 HB2 GLU 110 2HB GLU 110 5.050 4.710 17.732 816 HB3 GLU 110 3HB GLU 110 6.378 4.652 18.897 817 HG2 GLU 110 2HG GLU 110 4.799 5.067 20.759 818 HG3 GLU 110 3HG GLU 110 3.459 5.213 19.615 819 H TYR 111 H TYR 111 5.536 7.487 16.069 820 HA TYR 111 HA TYR 111 8.479 7.603 15.916 821 HB2 TYR 111 2HB TYR 111 6.481 6.669 13.797 822 HB3 TYR 111 3HB TYR 111 8.197 6.971 13.494 823 HD1 TYR 111 HD1 TYR 111 9.918 5.450 14.371 824 HD2 TYR 111 HD2 TYR 111 5.752 4.710 15.087 825 HE1 TYR 111 HE1 TYR 111 10.451 3.135 15.057 826 HE2 TYR 111 HE2 TYR 111 6.277 2.393 15.778 827 HH TYR 111 HH TYR 111 7.845 0.870 16.088 828 HA PRO 112 HA PRO 112 7.858 11.764 14.534 829 HB2 PRO 112 2HB PRO 112 10.143 12.058 12.970 830 HB3 PRO 112 3HB PRO 112 10.242 12.010 14.735 831 HG2 PRO 112 2HG PRO 112 10.701 9.770 12.736 832 HG3 PRO 112 3HG PRO 112 11.669 10.212 14.149 833 HD2 PRO 112 2HD PRO 112 9.904 8.147 14.267 834 HD3 PRO 112 3HD PRO 112 10.166 9.188 15.672 835 H VAL 113 H VAL 113 7.095 13.033 12.852 836 HA VAL 113 HA VAL 113 5.599 11.645 11.005 837 HB VAL 113 HB VAL 113 6.593 14.535 11.044 838 HG11 VAL 113 1HG1 VAL 113 4.818 15.017 9.387 839 HG12 VAL 113 2HG1 VAL 113 6.063 13.901 8.730 840 HG13 VAL 113 3HG1 VAL 113 4.470 13.260 9.257 841 HG21 VAL 113 3HG2 VAL 113 5.131 13.889 12.910 842 HG22 VAL 113 1HG2 VAL 113 4.283 15.010 11.792 843 HG23 VAL 113 2HG2 VAL 113 3.914 13.253 11.752 844 H GLU 114 H GLU 114 8.920 13.070 10.697 845 HA GLU 114 HA GLU 114 9.061 12.951 7.904 846 HB2 GLU 114 2HB GLU 114 11.169 12.844 10.109 847 HB3 GLU 114 3HB GLU 114 11.578 12.903 8.389 848 HG2 GLU 114 2HG GLU 114 10.461 15.083 8.149 849 HG3 GLU 114 3HG GLU 114 9.892 15.014 9.822 850 H GLN 115 H GLN 115 9.868 10.497 10.465 851 HA GLN 115 HA GLN 115 11.134 8.717 8.675 852 HB2 GLN 115 2HB GLN 115 11.430 8.725 11.153 853 HB3 GLN 115 3HB GLN 115 9.745 8.232 11.359 854 HG2 GLN 115 2HG GLN 115 11.178 6.292 11.612 855 HG3 GLN 115 3HG GLN 115 10.216 6.112 10.138 856 HE21 GLN 115 1HE2 GLN 115 11.467 4.968 8.769 857 HE22 GLN 115 2HE2 GLN 115 13.094 5.360 8.323 858 H GLN 116 H GLN 116 7.705 9.068 9.832 859 HA GLN 116 HA GLN 116 6.864 6.627 8.641 860 HB2 GLN 116 2HB GLN 116 5.395 9.124 9.617 861 HB3 GLN 116 3HB GLN 116 4.564 7.690 8.998 862 HG2 GLN 116 2HG GLN 116 6.455 7.720 11.397 863 HG3 GLN 116 3HG GLN 116 4.690 7.777 11.492 864 HE21 GLN 116 1HE2 GLN 116 7.300 5.760 11.710 865 HE22 GLN 116 2HE2 GLN 116 6.552 4.245 11.330 866 H GLN 117 H GLN 117 6.847 10.111 7.595 867 HA GLN 117 HA GLN 117 5.324 9.693 5.273 868 HB2 GLN 117 2HB GLN 117 5.764 11.907 6.296 869 HB3 GLN 117 3HB GLN 117 7.487 11.754 5.930 870 HG2 GLN 117 2HG GLN 117 6.961 11.712 3.492 871 HG3 GLN 117 3HG GLN 117 5.240 11.879 3.865 872 HE21 GLN 117 1HE2 GLN 117 5.852 13.788 2.321 873 HE22 GLN 117 2HE2 GLN 117 6.217 15.288 3.106 874 H GLN 118 H GLN 118 8.948 9.774 5.786 875 HA GLN 118 HA GLN 118 9.526 9.322 3.061 876 HB2 GLN 118 2HB GLN 118 11.086 8.936 5.657 877 HB3 GLN 118 3HB GLN 118 11.789 8.602 4.069 878 HG2 GLN 118 2HG GLN 118 11.446 10.941 3.383 879 HG3 GLN 118 3HG GLN 118 10.627 11.298 4.909 880 HE21 GLN 118 1HE2 GLN 118 12.628 12.919 4.455 881 HE22 GLN 118 2HE2 GLN 118 14.049 12.526 5.364 882 H GLY 119 H GLY 119 8.930 7.112 5.874 883 HA2 GLY 119 2HA GLY 119 9.978 4.791 4.696 884 HA3 GLY 119 3HA GLY 119 8.774 4.881 5.988 885 H TRP 120 H TRP 120 6.574 6.143 4.708 886 HA TRP 120 HA TRP 120 5.514 3.956 3.253 887 HB2 TRP 120 2HB TRP 120 4.653 6.577 4.314 888 HB3 TRP 120 3HB TRP 120 3.908 6.210 2.753 889 HD1 TRP 120 HD1 TRP 120 1.795 4.696 2.841 890 HE1 TRP 120 HE1 TRP 120 0.701 3.164 4.615 891 HE3 TRP 120 HE3 TRP 120 5.448 4.900 6.449 892 HZ2 TRP 120 HZ2 TRP 120 1.288 2.177 7.183 893 HZ3 TRP 120 HZ3 TRP 120 5.109 3.630 8.555 894 HH2 TRP 120 HH2 TRP 120 3.057 2.282 8.911 895 H GLN 121 H GLN 121 6.908 7.163 2.284 896 HA GLN 121 HA GLN 121 6.152 6.934 -0.431 897 HB2 GLN 121 2HB GLN 121 6.821 9.049 0.759 898 HB3 GLN 121 3HB GLN 121 8.479 8.444 0.863 899 HG2 GLN 121 2HG GLN 121 8.346 9.983 -0.990 900 HG3 GLN 121 3HG GLN 121 8.584 8.355 -1.638 901 HE21 GLN 121 1HE2 GLN 121 7.459 8.084 -3.460 902 HE22 GLN 121 2HE2 GLN 121 5.850 8.647 -3.765 903 H ALA 122 H ALA 122 9.008 5.788 1.469 904 HA ALA 122 HA ALA 122 10.643 5.276 -0.770 905 HB1 ALA 122 3HB ALA 122 10.593 4.042 2.027 906 HB2 ALA 122 1HB ALA 122 11.937 3.903 0.844 907 HB3 ALA 122 2HB ALA 122 11.503 5.507 1.525 908 H ILE 123 H ILE 123 8.360 3.149 1.127 909 HA ILE 123 HA ILE 123 8.944 0.883 -0.473 910 HB ILE 123 HB ILE 123 6.952 -0.099 0.631 911 HG12 ILE 123 2HG1 ILE 123 6.577 2.687 1.829 912 HG13 ILE 123 3HG1 ILE 123 5.557 1.973 0.574 913 HG21 ILE 123 1HG2 ILE 123 7.734 0.096 2.970 914 HG22 ILE 123 2HG2 ILE 123 9.102 -0.089 1.821 915 HG23 ILE 123 3HG2 ILE 123 8.724 1.524 2.516 916 HD11 ILE 123 3HD1 ILE 123 5.930 0.883 3.400 917 HD12 ILE 123 1HD1 ILE 123 4.504 1.783 2.783 918 HD13 ILE 123 2HD1 ILE 123 4.894 0.158 2.125 919 H LEU 124 H LEU 124 6.546 3.575 -0.652 920 HA LEU 124 HA LEU 124 5.018 2.451 -2.757 921 HB2 LEU 124 2HB LEU 124 4.378 4.382 -1.250 922 HB3 LEU 124 3HB LEU 124 5.578 5.379 -2.082 923 HG LEU 124 HG LEU 124 4.338 5.094 -4.230 924 HD11 LEU 124 1HD1 LEU 124 2.097 4.061 -4.205 925 HD12 LEU 124 2HD1 LEU 124 3.376 2.873 -3.781 926 HD13 LEU 124 3HD1 LEU 124 2.338 3.574 -2.493 927 HD21 LEU 124 3HD2 LEU 124 3.864 7.004 -2.740 928 HD22 LEU 124 1HD2 LEU 124 2.379 6.463 -3.594 929 HD23 LEU 124 2HD2 LEU 124 2.633 6.027 -1.870 930 H ASN 125 H ASN 125 8.133 4.262 -2.635 931 HA ASN 125 HA ASN 125 8.269 4.772 -5.399 932 HB2 ASN 125 2HB ASN 125 10.354 4.480 -3.216 933 HB3 ASN 125 3HB ASN 125 10.786 4.822 -4.896 934 HD21 ASN 125 1HD2 ASN 125 11.468 6.533 -2.906 935 HD22 ASN 125 2HD2 ASN 125 10.611 8.023 -3.125 936 H ASN 126 H ASN 126 9.242 1.921 -3.366 937 HA ASN 126 HA ASN 126 10.359 0.458 -5.494 938 HB2 ASN 126 2HB ASN 126 9.058 -0.326 -2.867 939 HB3 ASN 126 3HB ASN 126 9.692 -1.523 -4.004 940 HD21 ASN 126 1HD2 ASN 126 10.716 -1.531 -1.577 941 HD22 ASN 126 2HD2 ASN 126 12.350 -0.956 -1.601 942 H PHE 127 H PHE 127 6.955 0.786 -4.252 943 HA PHE 127 HA PHE 127 5.769 -1.060 -5.967 944 HB2 PHE 127 2HB PHE 127 4.631 0.062 -4.079 945 HB3 PHE 127 3HB PHE 127 4.754 1.621 -4.905 946 HD1 PHE 127 HD1 PHE 127 3.139 -1.724 -4.986 947 HD2 PHE 127 HD2 PHE 127 3.239 2.226 -6.674 948 HE1 PHE 127 HE1 PHE 127 0.975 -2.147 -6.112 949 HE2 PHE 127 HE2 PHE 127 1.073 1.803 -7.792 950 HZ PHE 127 HZ PHE 127 -0.060 -0.386 -7.519 951 H LYS 128 H LYS 128 6.691 2.418 -6.515 952 HA LYS 128 HA LYS 128 5.505 2.687 -9.021 953 HB2 LYS 128 2HB LYS 128 6.399 4.559 -7.697 954 HB3 LYS 128 3HB LYS 128 8.041 3.919 -7.843 955 HG2 LYS 128 2HG LYS 128 7.812 4.196 -10.382 956 HG3 LYS 128 3HG LYS 128 6.295 5.053 -10.079 957 HD2 LYS 128 2HD LYS 128 7.593 6.628 -8.534 958 HD3 LYS 128 3HD LYS 128 9.079 5.839 -9.078 959 HE2 LYS 128 2HE LYS 128 7.083 6.985 -11.079 960 HE3 LYS 128 3HE LYS 128 8.287 8.019 -10.298 961 HZ1 LYS 128 3HZ LYS 128 8.791 5.700 -12.037 962 HZ2 LYS 128 1HZ LYS 128 9.221 7.255 -12.286 963 HZ3 LYS 128 2HZ LYS 128 9.965 6.377 -11.128 964 H ARG 129 H ARG 129 8.900 1.617 -8.158 965 HA ARG 129 HA ARG 129 9.679 1.470 -10.862 966 HB2 ARG 129 2HB ARG 129 10.858 0.371 -8.308 967 HB3 ARG 129 3HB ARG 129 11.586 0.085 -9.894 968 HG2 ARG 129 2HG ARG 129 11.755 2.552 -10.243 969 HG3 ARG 129 3HG ARG 129 11.067 2.815 -8.635 970 HD2 ARG 129 2HD ARG 129 12.953 1.686 -7.604 971 HD3 ARG 129 3HD ARG 129 13.626 1.302 -9.194 972 HE ARG 129 HE ARG 129 13.304 4.110 -9.018 973 HH11 ARG 129 1HH1 ARG 129 15.226 1.571 -7.531 974 HH12 ARG 129 2HH1 ARG 129 16.585 2.608 -7.247 975 HH21 ARG 129 1HH2 ARG 129 15.046 5.429 -8.635 976 HH22 ARG 129 2HH2 ARG 129 16.482 4.824 -7.880 977 H HIS 130 H HIS 130 8.181 -0.901 -8.604 978 HA HIS 130 HA HIS 130 8.767 -3.170 -10.201 979 HB2 HIS 130 2HB HIS 130 8.120 -3.074 -7.716 980 HB3 HIS 130 3HB HIS 130 6.456 -2.791 -8.242 981 HD2 HIS 130 HD2 HIS 130 7.641 -5.255 -10.764 982 HE1 HIS 130 HE1 HIS 130 6.415 -7.650 -7.434 983 H VAL 131 H VAL 131 5.737 -1.142 -9.807 984 HA VAL 131 HA VAL 131 4.333 -2.728 -11.682 985 HB VAL 131 HB VAL 131 3.806 0.034 -10.478 986 HG11 VAL 131 1HG1 VAL 131 1.493 -0.212 -11.326 987 HG12 VAL 131 2HG1 VAL 131 2.690 -0.138 -12.662 988 HG13 VAL 131 3HG1 VAL 131 1.973 -1.714 -12.186 989 HG21 VAL 131 3HG2 VAL 131 3.768 -1.828 -8.876 990 HG22 VAL 131 1HG2 VAL 131 2.113 -1.184 -9.147 991 HG23 VAL 131 2HG2 VAL 131 2.616 -2.723 -9.924 992 H GLU 132 H GLU 132 6.111 0.436 -11.861 993 HA GLU 132 HA GLU 132 5.135 1.275 -14.319 994 HB2 GLU 132 2HB GLU 132 6.478 2.644 -12.738 995 HB3 GLU 132 3HB GLU 132 7.902 1.650 -13.075 996 HG2 GLU 132 2HG GLU 132 7.864 2.383 -15.453 997 HG3 GLU 132 3HG GLU 132 6.421 3.356 -15.138 998 H SER 133 H SER 133 7.590 -1.226 -13.533 999 HA SER 133 HA SER 133 8.818 -1.124 -16.118 1000 HB2 SER 133 2HB SER 133 10.129 -2.952 -15.313 1001 HB3 SER 133 3HB SER 133 9.915 -1.836 -13.957 1002 HG SER 133 HG SER 133 8.178 -3.200 -13.199 1003 H HIS 134 H HIS 134 5.743 -2.181 -15.183 1004 HA HIS 134 HA HIS 134 5.784 -4.600 -16.804 1005 HB2 HIS 134 2HB HIS 134 3.574 -3.209 -15.211 1006 HB3 HIS 134 3HB HIS 134 3.385 -4.740 -16.076 1007 HD2 HIS 134 HD2 HIS 134 6.604 -5.619 -14.814 1008 HE1 HIS 134 HE1 HIS 134 4.208 -5.933 -11.280 1009 H LEU 135 H LEU 135 5.800 -1.388 -17.599 1010 HA LEU 135 HA LEU 135 4.554 -2.019 -20.132 1011 HB2 LEU 135 2HB LEU 135 2.615 -1.205 -18.883 1012 HB3 LEU 135 3HB LEU 135 3.521 0.198 -18.300 1013 HG LEU 135 HG LEU 135 3.726 0.984 -20.714 1014 HD11 LEU 135 1HD1 LEU 135 2.178 -0.009 -22.360 1015 HD12 LEU 135 2HD1 LEU 135 3.397 -1.202 -21.797 1016 HD13 LEU 135 3HD1 LEU 135 1.716 -1.270 -21.167 1017 HD21 LEU 135 3HD2 LEU 135 2.045 1.885 -19.148 1018 HD22 LEU 135 1HD2 LEU 135 1.387 1.783 -20.816 1019 HD23 LEU 135 2HD2 LEU 135 0.916 0.560 -19.588 1020 H GLU 136 H GLU 136 5.914 -1.251 -21.697 1021 HA GLU 136 HA GLU 136 7.862 0.768 -21.014 1022 HB2 GLU 136 2HB GLU 136 7.161 -0.669 -23.619 1023 HB3 GLU 136 3HB GLU 136 8.502 0.469 -23.433 1024 HG2 GLU 136 2HG GLU 136 9.522 -1.030 -21.708 1025 HG3 GLU 136 3HG GLU 136 8.190 -2.173 -21.923 1026 H HIS 137 H HIS 137 7.893 2.937 -21.685 1027 HA HIS 137 HA HIS 137 5.496 3.824 -23.153 1028 HB2 HIS 137 2HB HIS 137 5.323 4.357 -20.727 1029 HB3 HIS 137 3HB HIS 137 6.884 5.185 -20.791 1030 HD2 HIS 137 HD2 HIS 137 6.693 7.859 -21.374 1031 HE1 HIS 137 HE1 HIS 137 2.701 7.823 -22.923 1032 H HIS 138 H HIS 138 8.844 4.851 -22.056 1033 HA HIS 138 HA HIS 138 9.565 5.443 -24.758 1034 HB2 HIS 138 2HB HIS 138 8.191 7.451 -24.222 1035 HB3 HIS 138 3HB HIS 138 9.184 7.755 -22.791 1036 HD2 HIS 138 HD2 HIS 138 11.356 9.368 -23.272 1037 HE1 HIS 138 HE1 HIS 138 11.389 9.018 -27.539 Start of MODEL 8 1 H1 MET 1 1H MET 1 -2.214 14.796 13.875 2 H2 MET 1 2H MET 1 -3.218 13.886 12.965 3 H3 MET 1 3H MET 1 -1.926 13.199 13.689 4 HA MET 1 HA MET 1 -1.721 15.310 11.695 5 HB2 MET 1 2HB MET 1 0.278 13.310 12.851 6 HB3 MET 1 3HB MET 1 0.619 14.402 11.503 7 HG2 MET 1 2HG MET 1 -0.139 15.272 14.333 8 HG3 MET 1 3HG MET 1 1.504 15.232 13.678 9 HE1 MET 1 3HE MET 1 1.159 16.494 10.614 10 HE2 MET 1 1HE MET 1 1.678 18.117 11.182 11 HE3 MET 1 2HE MET 1 2.420 16.640 11.885 12 H ASN 2 H ASN 2 -2.267 14.784 9.615 13 HA ASN 2 HA ASN 2 -2.331 11.926 8.950 14 HB2 ASN 2 2HB ASN 2 -3.559 14.350 7.580 15 HB3 ASN 2 3HB ASN 2 -3.611 12.700 6.944 16 HD21 ASN 2 1HD2 ASN 2 -5.281 14.961 8.611 17 HD22 ASN 2 2HD2 ASN 2 -6.437 13.935 9.393 18 H ILE 3 H ILE 3 -0.852 11.054 7.522 19 HA ILE 3 HA ILE 3 0.882 12.988 6.150 20 HB ILE 3 HB ILE 3 1.362 10.069 6.943 21 HG12 ILE 3 2HG1 ILE 3 2.724 12.637 7.885 22 HG13 ILE 3 3HG1 ILE 3 1.434 11.815 8.772 23 HG21 ILE 3 1HG2 ILE 3 3.653 10.416 6.081 24 HG22 ILE 3 2HG2 ILE 3 2.419 10.582 4.787 25 HG23 ILE 3 3HG2 ILE 3 3.182 12.047 5.494 26 HD11 ILE 3 3HD1 ILE 3 4.152 10.620 8.067 27 HD12 ILE 3 1HD1 ILE 3 3.638 11.231 9.676 28 HD13 ILE 3 2HD1 ILE 3 2.841 9.786 8.968 29 H THR 4 H THR 4 0.890 13.028 3.903 30 HA THR 4 HA THR 4 -0.577 10.840 2.594 31 HB THR 4 HB THR 4 -0.523 13.819 1.875 32 HG1 THR 4 HG1 THR 4 -2.820 13.624 2.388 33 HG21 THR 4 3HG2 THR 4 -1.967 11.463 0.562 34 HG22 THR 4 1HG2 THR 4 -2.161 13.193 0.122 35 HG23 THR 4 2HG2 THR 4 -0.582 12.374 -0.128 36 H VAL 5 H VAL 5 0.419 9.892 0.789 37 HA VAL 5 HA VAL 5 2.720 11.343 -0.311 38 HB VAL 5 HB VAL 5 3.810 9.107 -0.693 39 HG11 VAL 5 1HG1 VAL 5 4.564 8.788 1.645 40 HG12 VAL 5 2HG1 VAL 5 4.480 10.526 1.200 41 HG13 VAL 5 3HG1 VAL 5 3.193 9.796 2.219 42 HG21 VAL 5 3HG2 VAL 5 1.799 7.698 -0.581 43 HG22 VAL 5 1HG2 VAL 5 3.022 7.161 0.620 44 HG23 VAL 5 2HG2 VAL 5 1.593 8.108 1.156 45 H GLU 6 H GLU 6 3.241 10.660 -2.618 46 HA GLU 6 HA GLU 6 0.972 9.503 -4.032 47 HB2 GLU 6 2HB GLU 6 0.419 11.928 -3.711 48 HB3 GLU 6 3HB GLU 6 1.940 12.366 -4.500 49 HG2 GLU 6 2HG GLU 6 1.175 11.244 -6.595 50 HG3 GLU 6 3HG GLU 6 -0.347 10.808 -5.806 51 H THR 7 H THR 7 1.575 8.583 -6.019 52 HA THR 7 HA THR 7 4.123 9.384 -7.146 53 HB THR 7 HB THR 7 4.593 7.469 -5.539 54 HG1 THR 7 HG1 THR 7 5.190 6.186 -7.892 55 HG21 THR 7 3HG2 THR 7 2.894 5.917 -7.554 56 HG22 THR 7 1HG2 THR 7 3.879 5.200 -6.234 57 HG23 THR 7 2HG2 THR 7 2.472 6.243 -5.839 58 H THR 8 H THR 8 4.171 9.132 -9.427 59 HA THR 8 HA THR 8 1.674 8.083 -10.552 60 HB THR 8 HB THR 8 3.733 10.048 -11.686 61 HG1 THR 8 HG1 THR 8 1.894 11.518 -11.500 62 HG21 THR 8 3HG2 THR 8 1.106 9.020 -12.868 63 HG22 THR 8 1HG2 THR 8 2.136 10.318 -13.562 64 HG23 THR 8 2HG2 THR 8 2.758 8.636 -13.460 65 H VAL 9 H VAL 9 1.741 6.265 -11.870 66 HA VAL 9 HA VAL 9 4.440 5.297 -12.523 67 HB VAL 9 HB VAL 9 3.481 3.010 -12.380 68 HG11 VAL 9 1HG1 VAL 9 3.211 2.925 -9.919 69 HG12 VAL 9 2HG1 VAL 9 4.573 3.989 -10.406 70 HG13 VAL 9 3HG1 VAL 9 3.013 4.710 -9.884 71 HG21 VAL 9 3HG2 VAL 9 1.151 3.546 -12.944 72 HG22 VAL 9 1HG2 VAL 9 1.243 2.669 -11.379 73 HG23 VAL 9 2HG2 VAL 9 0.970 4.444 -11.400 74 H ALA 10 H ALA 10 4.790 4.393 -14.628 75 HA ALA 10 HA ALA 10 2.759 5.098 -16.591 76 HB1 ALA 10 3HB ALA 10 5.587 3.961 -16.841 77 HB2 ALA 10 1HB ALA 10 4.540 4.478 -18.206 78 HB3 ALA 10 2HB ALA 10 5.114 5.685 -17.007 79 H ALA 11 H ALA 11 1.202 3.407 -15.670 80 HA ALA 11 HA ALA 11 1.565 0.978 -17.223 81 HB1 ALA 11 3HB ALA 11 1.121 0.965 -14.198 82 HB2 ALA 11 1HB ALA 11 1.020 -0.466 -15.280 83 HB3 ALA 11 2HB ALA 11 2.585 0.387 -15.063 84 HA PRO 12 HA PRO 12 -2.793 1.424 -17.695 85 HB2 PRO 12 2HB PRO 12 -3.602 -1.211 -17.972 86 HB3 PRO 12 3HB PRO 12 -2.635 -0.427 -19.229 87 HG2 PRO 12 2HG PRO 12 -1.719 -2.263 -16.987 88 HG3 PRO 12 3HG PRO 12 -1.281 -2.301 -18.700 89 HD2 PRO 12 2HD PRO 12 0.371 -1.167 -16.856 90 HD3 PRO 12 3HD PRO 12 0.247 -0.507 -18.492 91 H VAL 13 H VAL 13 -4.816 1.411 -16.688 92 HA VAL 13 HA VAL 13 -4.464 1.617 -13.934 93 HB VAL 13 HB VAL 13 -6.950 1.961 -13.887 94 HG11 VAL 13 1HG1 VAL 13 -6.970 3.961 -15.347 95 HG12 VAL 13 2HG1 VAL 13 -5.438 3.827 -14.419 96 HG13 VAL 13 3HG1 VAL 13 -5.477 3.379 -16.158 97 HG21 VAL 13 3HG2 VAL 13 -7.578 0.307 -15.592 98 HG22 VAL 13 1HG2 VAL 13 -8.201 1.935 -16.022 99 HG23 VAL 13 2HG2 VAL 13 -6.753 1.279 -16.857 100 H GLY 14 H GLY 14 -5.601 -1.101 -15.990 101 HA2 GLY 14 2HA GLY 14 -6.894 -2.602 -14.013 102 HA3 GLY 14 3HA GLY 14 -6.106 -3.220 -15.471 103 H LYS 15 H LYS 15 -3.375 -2.476 -14.992 104 HA LYS 15 HA LYS 15 -2.676 -4.520 -13.111 105 HB2 LYS 15 2HB LYS 15 -1.069 -2.509 -14.754 106 HB3 LYS 15 3HB LYS 15 -0.328 -3.721 -13.700 107 HG2 LYS 15 2HG LYS 15 -1.570 -5.508 -15.051 108 HG3 LYS 15 3HG LYS 15 -2.038 -4.229 -16.180 109 HD2 LYS 15 2HD LYS 15 0.458 -3.654 -16.401 110 HD3 LYS 15 3HD LYS 15 0.805 -5.117 -15.471 111 HE2 LYS 15 2HE LYS 15 -0.627 -6.391 -17.215 112 HE3 LYS 15 3HE LYS 15 -0.578 -4.915 -18.188 113 HZ1 LYS 15 3HZ LYS 15 1.703 -6.574 -17.354 114 HZ2 LYS 15 1HZ LYS 15 1.198 -6.249 -18.872 115 HZ3 LYS 15 2HZ LYS 15 1.897 -5.077 -17.976 116 H VAL 16 H VAL 16 -2.760 -0.908 -13.113 117 HA VAL 16 HA VAL 16 -1.072 -0.671 -10.853 118 HB VAL 16 HB VAL 16 -3.085 1.244 -12.137 119 HG11 VAL 16 1HG1 VAL 16 -1.933 3.027 -10.862 120 HG12 VAL 16 2HG1 VAL 16 -2.729 1.837 -9.778 121 HG13 VAL 16 3HG1 VAL 16 -0.950 1.782 -10.020 122 HG21 VAL 16 3HG2 VAL 16 -1.208 0.616 -13.593 123 HG22 VAL 16 1HG2 VAL 16 -1.058 2.324 -13.058 124 HG23 VAL 16 2HG2 VAL 16 -0.042 1.054 -12.299 125 H TRP 17 H TRP 17 -4.693 -0.595 -11.324 126 HA TRP 17 HA TRP 17 -5.245 0.134 -8.656 127 HB2 TRP 17 2HB TRP 17 -6.905 -1.282 -10.799 128 HB3 TRP 17 3HB TRP 17 -7.557 -0.717 -9.255 129 HD1 TRP 17 HD1 TRP 17 -5.027 1.751 -10.442 130 HE1 TRP 17 HE1 TRP 17 -6.185 3.785 -11.542 131 HE3 TRP 17 HE3 TRP 17 -9.764 -0.185 -10.929 132 HZ2 TRP 17 HZ2 TRP 17 -8.742 4.482 -12.486 133 HZ3 TRP 17 HZ3 TRP 17 -11.532 1.237 -11.952 134 HH2 TRP 17 HH2 TRP 17 -11.040 3.510 -12.715 135 H ARG 18 H ARG 18 -4.959 -3.085 -10.325 136 HA ARG 18 HA ARG 18 -5.940 -4.565 -8.147 137 HB2 ARG 18 2HB ARG 18 -4.211 -5.274 -10.520 138 HB3 ARG 18 3HB ARG 18 -4.648 -6.455 -9.278 139 HG2 ARG 18 2HG ARG 18 -7.052 -6.058 -9.732 140 HG3 ARG 18 3HG ARG 18 -6.628 -4.855 -10.957 141 HD2 ARG 18 2HD ARG 18 -5.486 -6.576 -12.268 142 HD3 ARG 18 3HD ARG 18 -5.872 -7.783 -11.036 143 HE ARG 18 HE ARG 18 -8.299 -6.616 -11.867 144 HH11 ARG 18 1HH1 ARG 18 -5.728 -8.558 -13.269 145 HH12 ARG 18 2HH1 ARG 18 -6.785 -9.357 -14.384 146 HH21 ARG 18 1HH2 ARG 18 -9.638 -7.639 -13.311 147 HH22 ARG 18 2HH2 ARG 18 -9.029 -8.831 -14.411 148 H ALA 19 H ALA 19 -2.807 -3.011 -8.746 149 HA ALA 19 HA ALA 19 -1.304 -4.851 -7.154 150 HB1 ALA 19 3HB ALA 19 -0.702 -2.030 -8.168 151 HB2 ALA 19 1HB ALA 19 0.489 -3.158 -7.438 152 HB3 ALA 19 2HB ALA 19 -0.297 -3.569 -9.000 153 H TYR 20 H TYR 20 -3.649 -2.555 -6.279 154 HA TYR 20 HA TYR 20 -2.445 -0.997 -4.352 155 HB2 TYR 20 2HB TYR 20 -4.607 -0.469 -3.684 156 HB3 TYR 20 3HB TYR 20 -4.880 -1.049 -5.332 157 HD1 TYR 20 HD1 TYR 20 -5.759 -3.394 -5.692 158 HD2 TYR 20 HD2 TYR 20 -5.559 -1.602 -1.797 159 HE1 TYR 20 HE1 TYR 20 -7.370 -5.072 -4.840 160 HE2 TYR 20 HE2 TYR 20 -7.164 -3.278 -0.938 161 HH TYR 20 HH TYR 20 -8.182 -5.254 -1.371 162 H THR 21 H THR 21 -3.588 -4.429 -4.118 163 HA THR 21 HA THR 21 -1.784 -4.616 -1.842 164 HB THR 21 HB THR 21 -4.611 -5.792 -1.828 165 HG1 THR 21 HG1 THR 21 -4.859 -3.642 -1.302 166 HG21 THR 21 3HG2 THR 21 -2.386 -5.795 0.270 167 HG22 THR 21 1HG2 THR 21 -4.046 -6.443 0.496 168 HG23 THR 21 2HG2 THR 21 -2.938 -7.207 -0.693 169 H THR 22 H THR 22 -0.539 -5.534 -3.815 170 HA THR 22 HA THR 22 -1.318 -8.339 -4.176 171 HB THR 22 HB THR 22 0.694 -6.586 -5.683 172 HG1 THR 22 HG1 THR 22 -0.893 -7.101 -7.446 173 HG21 THR 22 3HG2 THR 22 -0.135 -9.495 -6.132 174 HG22 THR 22 1HG2 THR 22 0.927 -8.524 -7.207 175 HG23 THR 22 2HG2 THR 22 1.463 -8.925 -5.541 176 HA PRO 23 HA PRO 23 1.788 -9.335 -1.160 177 HB2 PRO 23 2HB PRO 23 1.936 -12.075 -1.855 178 HB3 PRO 23 3HB PRO 23 0.642 -11.423 -0.841 179 HG2 PRO 23 2HG PRO 23 0.638 -11.981 -3.818 180 HG3 PRO 23 3HG PRO 23 -0.616 -12.324 -2.619 181 HD2 PRO 23 2HD PRO 23 -0.858 -10.181 -4.248 182 HD3 PRO 23 3HD PRO 23 -1.366 -10.060 -2.558 183 H GLU 24 H GLU 24 2.182 -10.353 -4.604 184 HA GLU 24 HA GLU 24 4.933 -10.885 -4.384 185 HB2 GLU 24 2HB GLU 24 3.153 -9.964 -6.685 186 HB3 GLU 24 3HB GLU 24 4.866 -10.353 -6.890 187 HG2 GLU 24 2HG GLU 24 4.461 -12.672 -6.131 188 HG3 GLU 24 3HG GLU 24 2.760 -12.299 -5.822 189 H ASP 25 H ASP 25 3.076 -7.818 -4.926 190 HA ASP 25 HA ASP 25 5.403 -6.221 -5.266 191 HB2 ASP 25 2HB ASP 25 3.109 -5.555 -5.968 192 HB3 ASP 25 3HB ASP 25 2.593 -5.533 -4.277 193 H ILE 26 H ILE 26 3.451 -7.275 -2.392 194 HA ILE 26 HA ILE 26 4.671 -5.516 -0.592 195 HB ILE 26 HB ILE 26 3.280 -8.217 -0.268 196 HG12 ILE 26 2HG1 ILE 26 2.411 -5.407 0.544 197 HG13 ILE 26 3HG1 ILE 26 2.012 -6.135 -1.017 198 HG21 ILE 26 1HG2 ILE 26 3.215 -7.757 2.161 199 HG22 ILE 26 2HG2 ILE 26 4.896 -7.963 1.566 200 HG23 ILE 26 3HG2 ILE 26 4.262 -6.319 1.914 201 HD11 ILE 26 3HD1 ILE 26 1.230 -7.243 1.718 202 HD12 ILE 26 1HD1 ILE 26 0.155 -6.374 0.571 203 HD13 ILE 26 2HD1 ILE 26 0.824 -7.982 0.132 204 H LYS 27 H LYS 27 5.675 -8.698 -1.924 205 HA LYS 27 HA LYS 27 7.628 -9.363 -0.066 206 HB2 LYS 27 2HB LYS 27 7.373 -9.769 -3.075 207 HB3 LYS 27 3HB LYS 27 8.738 -10.416 -2.156 208 HG2 LYS 27 2HG LYS 27 7.185 -11.739 -0.743 209 HG3 LYS 27 3HG LYS 27 5.799 -11.061 -1.606 210 HD2 LYS 27 2HD LYS 27 6.690 -12.030 -3.755 211 HD3 LYS 27 3HD LYS 27 8.033 -12.748 -2.856 212 HE2 LYS 27 2HE LYS 27 6.415 -14.045 -1.463 213 HE3 LYS 27 3HE LYS 27 5.066 -13.319 -2.347 214 HZ1 LYS 27 3HZ LYS 27 7.168 -15.011 -3.541 215 HZ2 LYS 27 1HZ LYS 27 5.636 -15.474 -3.217 216 HZ3 LYS 27 2HZ LYS 27 5.923 -14.341 -4.357 217 H GLN 28 H GLN 28 7.572 -6.771 -2.523 218 HA GLN 28 HA GLN 28 10.406 -6.367 -2.457 219 HB2 GLN 28 2HB GLN 28 8.093 -4.567 -3.347 220 HB3 GLN 28 3HB GLN 28 9.807 -4.241 -3.638 221 HG2 GLN 28 2HG GLN 28 8.213 -6.608 -4.725 222 HG3 GLN 28 3HG GLN 28 8.716 -5.179 -5.637 223 HE21 GLN 28 1HE2 GLN 28 9.370 -8.262 -5.539 224 HE22 GLN 28 2HE2 GLN 28 11.090 -8.293 -5.736 225 H TRP 29 H TRP 29 7.822 -5.698 -0.234 226 HA TRP 29 HA TRP 29 9.050 -3.241 0.742 227 HB2 TRP 29 2HB TRP 29 6.586 -4.808 1.655 228 HB3 TRP 29 3HB TRP 29 7.092 -3.234 2.282 229 HD1 TRP 29 HD1 TRP 29 7.847 -2.858 -1.230 230 HE1 TRP 29 HE1 TRP 29 5.897 -1.787 -2.550 231 HE3 TRP 29 HE3 TRP 29 4.089 -3.528 2.210 232 HZ2 TRP 29 HZ2 TRP 29 3.150 -1.292 -2.192 233 HZ3 TRP 29 HZ3 TRP 29 1.800 -2.727 1.645 234 HH2 TRP 29 HH2 TRP 29 1.338 -1.637 -0.497 235 H ASN 30 H ASN 30 10.585 -5.824 0.937 236 HA ASN 30 HA ASN 30 10.189 -7.022 3.432 237 HB2 ASN 30 2HB ASN 30 12.311 -8.081 3.068 238 HB3 ASN 30 3HB ASN 30 11.421 -8.032 1.541 239 HD21 ASN 30 1HD2 ASN 30 12.523 -7.461 -0.155 240 HD22 ASN 30 2HD2 ASN 30 13.905 -6.416 -0.194 241 H ALA 31 H ALA 31 11.811 -7.008 5.302 242 HA ALA 31 HA ALA 31 12.085 -4.197 6.027 243 HB1 ALA 31 3HB ALA 31 12.270 -6.787 7.643 244 HB2 ALA 31 1HB ALA 31 12.335 -5.124 8.318 245 HB3 ALA 31 2HB ALA 31 10.838 -5.710 7.517 246 H ALA 32 H ALA 32 14.100 -7.230 5.843 247 HA ALA 32 HA ALA 32 16.425 -5.627 6.616 248 HB1 ALA 32 3HB ALA 32 16.021 -8.633 6.217 249 HB2 ALA 32 1HB ALA 32 17.530 -7.846 6.790 250 HB3 ALA 32 2HB ALA 32 16.039 -7.761 7.787 251 H SER 33 H SER 33 16.148 -8.411 4.281 252 HA SER 33 HA SER 33 17.082 -6.683 2.132 253 HB2 SER 33 2HB SER 33 19.172 -7.299 3.239 254 HB3 SER 33 3HB SER 33 18.699 -9.003 3.276 255 HG SER 33 HG SER 33 20.136 -8.520 1.525 256 H ASP 34 H ASP 34 16.924 -7.737 0.009 257 HA ASP 34 HA ASP 34 14.636 -9.436 -0.073 258 HB2 ASP 34 2HB ASP 34 14.918 -9.277 -2.497 259 HB3 ASP 34 3HB ASP 34 15.065 -7.681 -1.749 260 H ASP 35 H ASP 35 17.849 -10.169 0.667 261 HA ASP 35 HA ASP 35 17.570 -12.845 -0.547 262 HB2 ASP 35 2HB ASP 35 20.035 -11.343 0.458 263 HB3 ASP 35 3HB ASP 35 20.034 -13.017 -0.113 264 H TRP 36 H TRP 36 18.030 -10.959 2.491 265 HA TRP 36 HA TRP 36 18.391 -13.503 3.930 266 HB2 TRP 36 2HB TRP 36 19.046 -10.612 4.688 267 HB3 TRP 36 3HB TRP 36 19.274 -12.009 5.748 268 HD1 TRP 36 HD1 TRP 36 20.931 -10.099 2.926 269 HE1 TRP 36 HE1 TRP 36 23.197 -11.199 2.339 270 HE3 TRP 36 HE3 TRP 36 20.439 -14.447 5.621 271 HZ2 TRP 36 HZ2 TRP 36 24.591 -13.568 2.931 272 HZ3 TRP 36 HZ3 TRP 36 22.299 -16.099 5.566 273 HH2 TRP 36 HH2 TRP 36 24.326 -15.675 4.260 274 H HIS 37 H HIS 37 15.844 -11.647 2.993 275 HA HIS 37 HA HIS 37 14.515 -11.980 5.604 276 HB2 HIS 37 2HB HIS 37 14.964 -9.566 4.963 277 HB3 HIS 37 3HB HIS 37 13.965 -9.809 3.525 278 HD2 HIS 37 HD2 HIS 37 13.546 -9.299 7.388 279 HE1 HIS 37 HE1 HIS 37 9.651 -9.489 5.622 280 H THR 38 H THR 38 12.535 -13.070 5.569 281 HA THR 38 HA THR 38 11.590 -13.853 2.907 282 HB THR 38 HB THR 38 11.046 -15.041 5.679 283 HG1 THR 38 HG1 THR 38 12.255 -16.843 4.744 284 HG21 THR 38 3HG2 THR 38 10.123 -15.945 2.906 285 HG22 THR 38 1HG2 THR 38 9.875 -16.842 4.443 286 HG23 THR 38 2HG2 THR 38 9.083 -15.249 4.194 287 H THR 39 H THR 39 9.709 -12.937 2.132 288 HA THR 39 HA THR 39 7.969 -11.672 4.136 289 HB THR 39 HB THR 39 8.591 -10.700 1.297 290 HG1 THR 39 HG1 THR 39 10.098 -10.446 3.394 291 HG21 THR 39 3HG2 THR 39 6.897 -9.483 3.533 292 HG22 THR 39 1HG2 THR 39 7.270 -8.711 1.955 293 HG23 THR 39 2HG2 THR 39 6.280 -10.208 2.010 294 H ALA 40 H ALA 40 5.790 -12.235 4.028 295 HA ALA 40 HA ALA 40 4.770 -13.233 1.475 296 HB1 ALA 40 3HB ALA 40 4.530 -14.711 4.142 297 HB2 ALA 40 1HB ALA 40 3.666 -15.136 2.626 298 HB3 ALA 40 2HB ALA 40 5.457 -15.255 2.703 299 H ALA 41 H ALA 41 2.498 -12.894 1.192 300 HA ALA 41 HA ALA 41 1.172 -11.489 3.413 301 HB1 ALA 41 3HB ALA 41 1.267 -10.625 0.482 302 HB2 ALA 41 1HB ALA 41 0.251 -9.881 1.762 303 HB3 ALA 41 2HB ALA 41 2.041 -9.782 1.865 304 H THR 42 H THR 42 -0.967 -12.097 3.733 305 HA THR 42 HA THR 42 -2.228 -13.513 1.489 306 HB THR 42 HB THR 42 -2.581 -14.023 4.491 307 HG1 THR 42 HG1 THR 42 -1.711 -16.131 3.874 308 HG21 THR 42 3HG2 THR 42 -3.909 -15.333 2.068 309 HG22 THR 42 1HG2 THR 42 -4.091 -15.853 3.777 310 HG23 THR 42 2HG2 THR 42 -4.706 -14.248 3.256 311 H VAL 43 H VAL 43 -4.189 -12.642 0.805 312 HA VAL 43 HA VAL 43 -5.435 -10.677 2.582 313 HB VAL 43 HB VAL 43 -3.968 -9.380 1.111 314 HG11 VAL 43 1HG1 VAL 43 -4.196 -9.470 -1.349 315 HG12 VAL 43 2HG1 VAL 43 -3.659 -11.043 -0.668 316 HG13 VAL 43 3HG1 VAL 43 -5.364 -10.825 -1.187 317 HG21 VAL 43 3HG2 VAL 43 -6.176 -8.437 1.620 318 HG22 VAL 43 1HG2 VAL 43 -5.646 -7.969 -0.031 319 HG23 VAL 43 2HG2 VAL 43 -6.874 -9.261 0.185 320 H ASP 44 H ASP 44 -7.697 -10.865 2.583 321 HA ASP 44 HA ASP 44 -8.946 -12.243 0.329 322 HB2 ASP 44 2HB ASP 44 -9.673 -12.724 2.665 323 HB3 ASP 44 3HB ASP 44 -10.096 -11.021 2.886 324 H LEU 45 H LEU 45 -9.301 -11.030 -1.503 325 HA LEU 45 HA LEU 45 -9.131 -8.160 -1.268 326 HB2 LEU 45 2HB LEU 45 -9.482 -10.080 -3.620 327 HB3 LEU 45 3HB LEU 45 -9.347 -8.325 -3.793 328 HG LEU 45 HG LEU 45 -7.192 -10.082 -2.510 329 HD11 LEU 45 1HD1 LEU 45 -5.967 -9.782 -4.629 330 HD12 LEU 45 2HD1 LEU 45 -7.511 -10.665 -4.879 331 HD13 LEU 45 3HD1 LEU 45 -7.386 -8.931 -5.330 332 HD21 LEU 45 3HD2 LEU 45 -7.207 -7.727 -1.772 333 HD22 LEU 45 1HD2 LEU 45 -5.793 -8.067 -2.827 334 HD23 LEU 45 2HD2 LEU 45 -7.213 -7.185 -3.484 335 H ARG 46 H ARG 46 -11.084 -7.574 -0.103 336 HA ARG 46 HA ARG 46 -13.228 -7.038 -1.871 337 HB2 ARG 46 2HB ARG 46 -15.000 -8.259 -0.828 338 HB3 ARG 46 3HB ARG 46 -13.783 -9.374 -1.462 339 HG2 ARG 46 2HG ARG 46 -12.860 -9.664 0.826 340 HG3 ARG 46 3HG ARG 46 -14.082 -8.553 1.459 341 HD2 ARG 46 2HD ARG 46 -15.857 -10.051 0.836 342 HD3 ARG 46 3HD ARG 46 -14.723 -11.120 -0.001 343 HE ARG 46 HE ARG 46 -14.051 -12.003 2.042 344 HH11 ARG 46 1HH1 ARG 46 -16.097 -9.205 2.619 345 HH12 ARG 46 2HH1 ARG 46 -16.334 -9.580 4.293 346 HH21 ARG 46 1HH2 ARG 46 -14.353 -12.464 4.192 347 HH22 ARG 46 2HH2 ARG 46 -15.333 -11.450 5.198 348 H GLU 47 H GLU 47 -14.863 -5.597 -0.851 349 HA GLU 47 HA GLU 47 -13.939 -4.012 1.274 350 HB2 GLU 47 2HB GLU 47 -15.654 -3.375 -0.446 351 HB3 GLU 47 3HB GLU 47 -16.791 -4.510 0.292 352 HG2 GLU 47 2HG GLU 47 -16.867 -3.217 2.352 353 HG3 GLU 47 3HG GLU 47 -15.534 -2.183 1.821 354 H GLY 48 H GLY 48 -13.931 -4.315 3.478 355 HA2 GLY 48 2HA GLY 48 -14.729 -5.090 5.487 356 HA3 GLY 48 3HA GLY 48 -15.858 -6.160 4.646 357 H GLY 49 H GLY 49 -13.039 -6.732 2.964 358 HA2 GLY 49 2HA GLY 49 -12.753 -9.270 4.255 359 HA3 GLY 49 3HA GLY 49 -11.861 -8.654 2.858 360 H ALA 50 H ALA 50 -10.658 -10.175 5.027 361 HA ALA 50 HA ALA 50 -9.133 -8.094 6.449 362 HB1 ALA 50 3HB ALA 50 -9.471 -11.091 6.963 363 HB2 ALA 50 1HB ALA 50 -8.485 -9.963 7.952 364 HB3 ALA 50 2HB ALA 50 -10.267 -9.760 7.869 365 H PHE 51 H PHE 51 -6.814 -8.141 6.455 366 HA PHE 51 HA PHE 51 -5.557 -10.095 4.681 367 HB2 PHE 51 2HB PHE 51 -4.298 -8.301 3.531 368 HB3 PHE 51 3HB PHE 51 -6.034 -8.203 3.209 369 HD1 PHE 51 HD1 PHE 51 -7.392 -6.384 4.151 370 HD2 PHE 51 HD2 PHE 51 -3.157 -6.596 4.845 371 HE1 PHE 51 HE1 PHE 51 -7.396 -4.026 4.903 372 HE2 PHE 51 HE2 PHE 51 -3.165 -4.237 5.601 373 HZ PHE 51 HZ PHE 51 -5.283 -2.948 5.631 374 H SER 52 H SER 52 -3.168 -10.193 4.993 375 HA SER 52 HA SER 52 -2.114 -8.782 7.299 376 HB2 SER 52 2HB SER 52 -3.291 -10.655 8.359 377 HB3 SER 52 3HB SER 52 -2.522 -11.806 7.258 378 HG SER 52 HG SER 52 -0.876 -10.061 8.798 379 H SER 53 H SER 53 0.141 -8.607 7.210 380 HA SER 53 HA SER 53 1.452 -10.224 5.110 381 HB2 SER 53 2HB SER 53 1.330 -7.864 4.467 382 HB3 SER 53 3HB SER 53 1.974 -7.363 6.036 383 HG SER 53 HG SER 53 3.596 -7.407 4.385 384 H ARG 54 H ARG 54 3.084 -11.549 5.799 385 HA ARG 54 HA ARG 54 4.010 -11.119 8.556 386 HB2 ARG 54 2HB ARG 54 2.910 -13.227 8.293 387 HB3 ARG 54 3HB ARG 54 3.867 -13.621 6.859 388 HG2 ARG 54 2HG ARG 54 5.924 -13.687 8.237 389 HG3 ARG 54 3HG ARG 54 4.985 -13.262 9.674 390 HD2 ARG 54 2HD ARG 54 4.491 -15.729 7.998 391 HD3 ARG 54 3HD ARG 54 5.571 -15.683 9.397 392 HE ARG 54 HE ARG 54 2.646 -15.631 9.419 393 HH11 ARG 54 1HH1 ARG 54 5.603 -15.255 11.279 394 HH12 ARG 54 2HH1 ARG 54 4.805 -15.459 12.803 395 HH21 ARG 54 1HH2 ARG 54 1.640 -15.903 11.377 396 HH22 ARG 54 2HH2 ARG 54 2.531 -15.832 12.860 397 H MET 55 H MET 55 6.001 -10.209 8.774 398 HA MET 55 HA MET 55 7.953 -10.767 6.627 399 HB2 MET 55 2HB MET 55 7.598 -8.351 8.461 400 HB3 MET 55 3HB MET 55 9.015 -8.611 7.434 401 HG2 MET 55 2HG MET 55 7.506 -8.627 5.419 402 HG3 MET 55 3HG MET 55 6.134 -8.270 6.475 403 HE1 MET 55 3HE MET 55 5.417 -6.084 5.278 404 HE2 MET 55 1HE MET 55 6.558 -4.793 4.770 405 HE3 MET 55 2HE MET 55 6.667 -6.428 4.035 406 H GLU 56 H GLU 56 9.733 -11.948 7.208 407 HA GLU 56 HA GLU 56 10.527 -11.897 10.032 408 HB2 GLU 56 2HB GLU 56 9.995 -14.393 8.348 409 HB3 GLU 56 3HB GLU 56 10.834 -14.395 9.905 410 HG2 GLU 56 2HG GLU 56 8.776 -13.460 10.995 411 HG3 GLU 56 3HG GLU 56 7.941 -13.515 9.437 412 H ALA 57 H ALA 57 12.786 -12.236 10.374 413 HA ALA 57 HA ALA 57 14.427 -11.998 7.995 414 HB1 ALA 57 3HB ALA 57 15.093 -12.151 10.976 415 HB2 ALA 57 1HB ALA 57 16.261 -11.802 9.657 416 HB3 ALA 57 2HB ALA 57 14.923 -10.654 9.999 417 H LYS 58 H LYS 58 15.753 -13.585 7.110 418 HA LYS 58 HA LYS 58 15.059 -16.272 7.645 419 HB2 LYS 58 2HB LYS 58 17.287 -14.933 6.048 420 HB3 LYS 58 3HB LYS 58 17.085 -16.689 6.120 421 HG2 LYS 58 2HG LYS 58 14.762 -16.431 5.190 422 HG3 LYS 58 3HG LYS 58 15.030 -14.688 5.059 423 HD2 LYS 58 2HD LYS 58 16.983 -15.100 3.548 424 HD3 LYS 58 3HD LYS 58 16.719 -16.844 3.681 425 HE2 LYS 58 2HE LYS 58 14.431 -16.573 2.707 426 HE3 LYS 58 3HE LYS 58 14.694 -14.829 2.574 427 HZ1 LYS 58 3HZ LYS 58 16.162 -16.948 1.151 428 HZ2 LYS 58 1HZ LYS 58 15.187 -15.808 0.506 429 HZ3 LYS 58 2HZ LYS 58 16.629 -15.383 1.144 430 H ASP 59 H ASP 59 17.454 -14.080 9.066 431 HA ASP 59 HA ASP 59 18.979 -16.296 10.170 432 HB2 ASP 59 2HB ASP 59 20.356 -14.548 11.152 433 HB3 ASP 59 3HB ASP 59 20.096 -14.202 9.437 434 H GLY 60 H GLY 60 15.960 -14.892 10.862 435 HA2 GLY 60 2HA GLY 60 14.584 -15.422 12.558 436 HA3 GLY 60 3HA GLY 60 15.855 -16.448 13.234 437 H SER 61 H SER 61 16.712 -13.063 12.615 438 HA SER 61 HA SER 61 17.222 -12.781 15.447 439 HB2 SER 61 2HB SER 61 18.381 -10.763 14.779 440 HB3 SER 61 3HB SER 61 18.840 -12.079 13.691 441 HG SER 61 HG SER 61 17.638 -11.217 12.058 442 H MET 62 H MET 62 14.707 -11.821 13.141 443 HA MET 62 HA MET 62 13.195 -10.561 15.211 444 HB2 MET 62 2HB MET 62 13.103 -8.326 14.128 445 HB3 MET 62 3HB MET 62 14.694 -8.698 14.803 446 HG2 MET 62 2HG MET 62 15.211 -7.730 12.739 447 HG3 MET 62 3HG MET 62 15.339 -9.462 12.404 448 HE1 MET 62 3HE MET 62 15.468 -7.855 10.271 449 HE2 MET 62 1HE MET 62 14.133 -8.066 9.088 450 HE3 MET 62 2HE MET 62 14.203 -6.590 10.109 451 H GLY 63 H GLY 63 10.984 -9.982 14.442 452 HA2 GLY 63 2HA GLY 63 10.509 -10.010 11.612 453 HA3 GLY 63 3HA GLY 63 9.833 -11.428 12.425 454 H PHE 64 H PHE 64 8.197 -9.455 11.107 455 HA PHE 64 HA PHE 64 6.861 -8.246 13.438 456 HB2 PHE 64 2HB PHE 64 7.262 -6.971 10.687 457 HB3 PHE 64 3HB PHE 64 6.359 -6.274 12.039 458 HD1 PHE 64 HD1 PHE 64 7.547 -5.467 14.063 459 HD2 PHE 64 HD2 PHE 64 9.678 -6.930 10.632 460 HE1 PHE 64 HE1 PHE 64 9.620 -4.402 14.896 461 HE2 PHE 64 HE2 PHE 64 11.751 -5.867 11.468 462 HZ PHE 64 HZ PHE 64 11.726 -4.600 13.599 463 H ASP 65 H ASP 65 4.547 -8.136 13.302 464 HA ASP 65 HA ASP 65 3.426 -9.657 11.033 465 HB2 ASP 65 2HB ASP 65 3.348 -10.890 13.193 466 HB3 ASP 65 3HB ASP 65 2.502 -9.530 13.944 467 H PHE 66 H PHE 66 2.230 -8.367 9.697 468 HA PHE 66 HA PHE 66 0.937 -6.018 10.933 469 HB2 PHE 66 2HB PHE 66 2.636 -5.424 9.272 470 HB3 PHE 66 3HB PHE 66 1.940 -6.545 8.094 471 HD1 PHE 66 HD1 PHE 66 1.109 -3.490 10.110 472 HD2 PHE 66 HD2 PHE 66 0.304 -5.811 6.587 473 HE1 PHE 66 HE1 PHE 66 -0.353 -1.686 9.254 474 HE2 PHE 66 HE2 PHE 66 -1.155 -4.006 5.730 475 HZ PHE 66 HZ PHE 66 -1.487 -1.937 7.064 476 H ALA 67 H ALA 67 -1.284 -5.836 10.835 477 HA ALA 67 HA ALA 67 -2.704 -7.609 8.982 478 HB1 ALA 67 3HB ALA 67 -3.193 -7.416 11.995 479 HB2 ALA 67 1HB ALA 67 -4.236 -8.283 10.818 480 HB3 ALA 67 2HB ALA 67 -2.554 -8.842 11.109 481 H GLY 68 H GLY 68 -4.821 -6.845 8.375 482 HA2 GLY 68 2HA GLY 68 -5.884 -4.517 9.717 483 HA3 GLY 68 3HA GLY 68 -5.240 -4.185 8.104 484 H THR 69 H THR 69 -7.967 -3.759 8.562 485 HA THR 69 HA THR 69 -9.054 -5.890 6.867 486 HB THR 69 HB THR 69 -11.245 -5.638 8.017 487 HG1 THR 69 HG1 THR 69 -11.252 -4.478 10.074 488 HG21 THR 69 3HG2 THR 69 -8.934 -6.301 9.906 489 HG22 THR 69 1HG2 THR 69 -10.647 -6.795 10.124 490 HG23 THR 69 2HG2 THR 69 -9.701 -7.424 8.733 491 H TYR 70 H TYR 70 -10.674 -5.166 5.314 492 HA TYR 70 HA TYR 70 -10.240 -2.417 4.537 493 HB2 TYR 70 2HB TYR 70 -11.841 -4.743 3.362 494 HB3 TYR 70 3HB TYR 70 -11.758 -3.141 2.618 495 HD1 TYR 70 HD1 TYR 70 -9.223 -2.219 2.326 496 HD2 TYR 70 HD2 TYR 70 -10.339 -6.358 2.610 497 HE1 TYR 70 HE1 TYR 70 -7.132 -2.862 1.170 498 HE2 TYR 70 HE2 TYR 70 -8.243 -7.004 1.466 499 HH TYR 70 HH TYR 70 -6.011 -4.522 0.170 500 H THR 71 H THR 71 -11.807 -0.750 4.440 501 HA THR 71 HA THR 71 -14.263 -1.361 5.930 502 HB THR 71 HB THR 71 -14.308 1.035 6.538 503 HG1 THR 71 HG1 THR 71 -12.888 2.467 5.691 504 HG21 THR 71 3HG2 THR 71 -11.600 -0.276 7.086 505 HG22 THR 71 1HG2 THR 71 -12.323 1.075 8.022 506 HG23 THR 71 2HG2 THR 71 -13.113 -0.539 8.018 507 H LYS 72 H LYS 72 -12.844 -0.012 2.935 508 HA LYS 72 HA LYS 72 -15.468 0.026 1.730 509 HB2 LYS 72 2HB LYS 72 -15.282 2.268 2.857 510 HB3 LYS 72 3HB LYS 72 -13.811 2.586 1.928 511 HG2 LYS 72 2HG LYS 72 -15.068 2.507 -0.184 512 HG3 LYS 72 3HG LYS 72 -16.541 2.028 0.668 513 HD2 LYS 72 2HD LYS 72 -16.441 4.194 1.976 514 HD3 LYS 72 3HD LYS 72 -15.034 4.674 1.018 515 HE2 LYS 72 2HE LYS 72 -16.377 4.530 -1.069 516 HE3 LYS 72 3HE LYS 72 -17.783 3.984 -0.145 517 HZ1 LYS 72 3HZ LYS 72 -16.450 6.597 0.172 518 HZ2 LYS 72 1HZ LYS 72 -17.873 6.335 -0.584 519 HZ3 LYS 72 2HZ LYS 72 -17.747 6.093 1.026 520 H VAL 73 H VAL 73 -15.293 -0.563 -0.422 521 HA VAL 73 HA VAL 73 -12.759 0.082 -1.739 522 HB VAL 73 HB VAL 73 -14.246 -2.592 -1.890 523 HG11 VAL 73 1HG1 VAL 73 -12.429 -3.276 -3.425 524 HG12 VAL 73 2HG1 VAL 73 -13.386 -1.909 -4.089 525 HG13 VAL 73 3HG1 VAL 73 -11.765 -1.608 -3.376 526 HG21 VAL 73 3HG2 VAL 73 -12.883 -2.351 0.142 527 HG22 VAL 73 1HG2 VAL 73 -12.140 -3.531 -0.990 528 HG23 VAL 73 2HG2 VAL 73 -11.465 -1.872 -0.851 529 H VAL 74 H VAL 74 -13.106 1.164 -3.663 530 HA VAL 74 HA VAL 74 -15.753 0.806 -4.890 531 HB VAL 74 HB VAL 74 -14.122 3.385 -4.624 532 HG11 VAL 74 1HG1 VAL 74 -16.047 4.464 -5.747 533 HG12 VAL 74 2HG1 VAL 74 -15.258 3.243 -6.801 534 HG13 VAL 74 3HG1 VAL 74 -16.808 2.854 -5.981 535 HG21 VAL 74 3HG2 VAL 74 -15.273 2.750 -2.545 536 HG22 VAL 74 1HG2 VAL 74 -16.056 4.180 -3.297 537 HG23 VAL 74 2HG2 VAL 74 -16.817 2.559 -3.443 538 H GLU 75 H GLU 75 -15.312 -0.401 -6.743 539 HA GLU 75 HA GLU 75 -14.391 -0.966 -8.700 540 HB2 GLU 75 2HB GLU 75 -14.209 2.079 -8.894 541 HB3 GLU 75 3HB GLU 75 -14.070 0.967 -10.262 542 HG2 GLU 75 2HG GLU 75 -16.396 0.157 -9.832 543 HG3 GLU 75 3HG GLU 75 -16.533 1.284 -8.475 544 H ASN 76 H ASN 76 -12.444 -1.019 -6.526 545 HA ASN 76 HA ASN 76 -10.266 -1.054 -6.135 546 HB2 ASN 76 2HB ASN 76 -10.055 -1.307 -9.158 547 HB3 ASN 76 3HB ASN 76 -8.811 -1.744 -7.980 548 HD21 ASN 76 1HD2 ASN 76 -11.149 -2.931 -9.917 549 HD22 ASN 76 2HD2 ASN 76 -11.422 -4.451 -9.133 550 H LYS 77 H LYS 77 -11.339 1.642 -6.292 551 HA LYS 77 HA LYS 77 -9.185 3.073 -7.698 552 HB2 LYS 77 2HB LYS 77 -11.232 2.946 -9.129 553 HB3 LYS 77 3HB LYS 77 -12.182 3.667 -7.824 554 HG2 LYS 77 2HG LYS 77 -10.886 5.754 -7.969 555 HG3 LYS 77 3HG LYS 77 -9.802 5.039 -9.169 556 HD2 LYS 77 2HD LYS 77 -11.652 4.799 -10.778 557 HD3 LYS 77 3HD LYS 77 -12.825 5.338 -9.569 558 HE2 LYS 77 2HE LYS 77 -12.299 7.202 -11.057 559 HE3 LYS 77 3HE LYS 77 -11.673 7.556 -9.442 560 HZ1 LYS 77 3HZ LYS 77 -9.970 6.346 -11.509 561 HZ2 LYS 77 1HZ LYS 77 -10.155 7.963 -11.389 562 HZ3 LYS 77 2HZ LYS 77 -9.511 7.121 -10.147 563 H ARG 78 H ARG 78 -11.866 3.147 -5.235 564 HA ARG 78 HA ARG 78 -10.067 4.888 -3.694 565 HB2 ARG 78 2HB ARG 78 -13.075 5.143 -3.919 566 HB3 ARG 78 3HB ARG 78 -12.095 5.918 -2.666 567 HG2 ARG 78 2HG ARG 78 -10.819 7.133 -4.422 568 HG3 ARG 78 3HG ARG 78 -11.810 6.365 -5.669 569 HD2 ARG 78 2HD ARG 78 -13.791 7.454 -4.859 570 HD3 ARG 78 3HD ARG 78 -12.925 8.093 -3.456 571 HE ARG 78 HE ARG 78 -11.703 8.974 -5.900 572 HH11 ARG 78 1HH1 ARG 78 -14.509 9.541 -3.860 573 HH12 ARG 78 2HH1 ARG 78 -14.666 11.198 -4.340 574 HH21 ARG 78 1HH2 ARG 78 -11.924 11.095 -6.515 575 HH22 ARG 78 2HH2 ARG 78 -13.184 12.091 -5.864 576 H ILE 79 H ILE 79 -9.333 3.744 -1.943 577 HA ILE 79 HA ILE 79 -11.130 1.670 -0.905 578 HB ILE 79 HB ILE 79 -8.181 1.362 -1.674 579 HG12 ILE 79 2HG1 ILE 79 -10.689 -0.072 -2.672 580 HG13 ILE 79 3HG1 ILE 79 -9.857 1.228 -3.535 581 HG21 ILE 79 1HG2 ILE 79 -8.410 -0.963 -0.860 582 HG22 ILE 79 2HG2 ILE 79 -8.653 0.233 0.457 583 HG23 ILE 79 3HG2 ILE 79 -10.068 -0.592 -0.279 584 HD11 ILE 79 3HD1 ILE 79 -8.654 -1.480 -2.804 585 HD12 ILE 79 1HD1 ILE 79 -9.228 -0.969 -4.427 586 HD13 ILE 79 2HD1 ILE 79 -7.810 -0.159 -3.680 587 H GLU 80 H GLU 80 -11.298 1.751 1.317 588 HA GLU 80 HA GLU 80 -9.073 3.055 2.757 589 HB2 GLU 80 2HB GLU 80 -11.163 4.429 2.659 590 HB3 GLU 80 3HB GLU 80 -12.062 3.096 3.396 591 HG2 GLU 80 2HG GLU 80 -10.485 3.261 5.400 592 HG3 GLU 80 3HG GLU 80 -9.815 4.727 4.672 593 H TYR 81 H TYR 81 -8.298 2.026 4.625 594 HA TYR 81 HA TYR 81 -9.749 -0.304 5.603 595 HB2 TYR 81 2HB TYR 81 -7.745 -1.744 5.407 596 HB3 TYR 81 3HB TYR 81 -8.378 -1.265 3.826 597 HD1 TYR 81 HD1 TYR 81 -5.606 -0.814 6.242 598 HD2 TYR 81 HD2 TYR 81 -7.105 0.200 2.349 599 HE1 TYR 81 HE1 TYR 81 -3.374 0.051 5.611 600 HE2 TYR 81 HE2 TYR 81 -4.873 1.058 1.710 601 HH TYR 81 HH TYR 81 -2.785 1.416 2.329 602 H ALA 82 H ALA 82 -8.697 -1.170 7.657 603 HA ALA 82 HA ALA 82 -7.276 1.025 9.028 604 HB1 ALA 82 3HB ALA 82 -9.533 -0.755 10.071 605 HB2 ALA 82 1HB ALA 82 -8.608 0.441 11.041 606 HB3 ALA 82 2HB ALA 82 -9.649 0.995 9.686 607 H PHE 83 H PHE 83 -5.646 0.423 10.513 608 HA PHE 83 HA PHE 83 -5.333 -2.434 11.049 609 HB2 PHE 83 2HB PHE 83 -2.906 -2.290 10.504 610 HB3 PHE 83 3HB PHE 83 -3.945 -2.119 9.083 611 HD1 PHE 83 HD1 PHE 83 -4.155 0.031 7.923 612 HD2 PHE 83 HD2 PHE 83 -1.595 -0.408 11.345 613 HE1 PHE 83 HE1 PHE 83 -3.028 2.160 7.353 614 HE2 PHE 83 HE2 PHE 83 -0.470 1.723 10.776 615 HZ PHE 83 HZ PHE 83 -1.184 3.011 8.781 616 H GLY 84 H GLY 84 -4.702 -2.808 13.168 617 HA2 GLY 84 2HA GLY 84 -4.139 -2.358 15.289 618 HA3 GLY 84 3HA GLY 84 -3.028 -1.138 14.651 619 H ASP 85 H ASP 85 -3.352 0.826 15.657 620 HA ASP 85 HA ASP 85 -6.160 1.640 16.056 621 HB2 ASP 85 2HB ASP 85 -5.251 3.231 17.711 622 HB3 ASP 85 3HB ASP 85 -4.881 1.555 18.134 623 H ARG 86 H ARG 86 -4.466 1.744 13.486 624 HA ARG 86 HA ARG 86 -4.874 4.620 13.077 625 HB2 ARG 86 2HB ARG 86 -2.458 3.037 12.170 626 HB3 ARG 86 3HB ARG 86 -2.895 4.642 11.571 627 HG2 ARG 86 2HG ARG 86 -2.343 3.991 14.498 628 HG3 ARG 86 3HG ARG 86 -1.132 4.611 13.368 629 HD2 ARG 86 2HD ARG 86 -2.565 6.607 12.998 630 HD3 ARG 86 3HD ARG 86 -3.682 5.993 14.224 631 HE ARG 86 HE ARG 86 -1.075 7.223 14.665 632 HH11 ARG 86 1HH1 ARG 86 -3.696 5.361 16.079 633 HH12 ARG 86 2HH1 ARG 86 -3.242 5.742 17.707 634 HH21 ARG 86 1HH2 ARG 86 -0.510 7.713 16.755 635 HH22 ARG 86 2HH2 ARG 86 -1.413 7.092 18.097 636 H THR 87 H THR 87 -4.969 5.129 10.609 637 HA THR 87 HA THR 87 -6.111 2.833 9.190 638 HB THR 87 HB THR 87 -7.952 4.236 8.360 639 HG1 THR 87 HG1 THR 87 -8.258 6.363 9.344 640 HG21 THR 87 3HG2 THR 87 -7.711 4.322 11.408 641 HG22 THR 87 1HG2 THR 87 -9.233 4.484 10.468 642 HG23 THR 87 2HG2 THR 87 -8.314 2.941 10.431 643 H ALA 88 H ALA 88 -6.210 3.202 6.766 644 HA ALA 88 HA ALA 88 -4.819 5.553 5.788 645 HB1 ALA 88 3HB ALA 88 -3.806 2.713 5.278 646 HB2 ALA 88 1HB ALA 88 -3.229 4.197 4.447 647 HB3 ALA 88 2HB ALA 88 -2.961 3.994 6.211 648 H LYS 89 H LYS 89 -5.153 5.892 3.467 649 HA LYS 89 HA LYS 89 -7.220 4.141 2.326 650 HB2 LYS 89 2HB LYS 89 -8.285 6.124 3.433 651 HB3 LYS 89 3HB LYS 89 -7.303 7.194 2.425 652 HG2 LYS 89 2HG LYS 89 -8.388 6.309 0.382 653 HG3 LYS 89 3HG LYS 89 -9.328 5.167 1.352 654 HD2 LYS 89 2HD LYS 89 -10.375 7.096 2.579 655 HD3 LYS 89 3HD LYS 89 -9.459 8.222 1.569 656 HE2 LYS 89 2HE LYS 89 -10.561 7.325 -0.470 657 HE3 LYS 89 3HE LYS 89 -11.439 6.140 0.506 658 HZ1 LYS 89 3HZ LYS 89 -11.702 9.069 0.743 659 HZ2 LYS 89 1HZ LYS 89 -12.779 8.066 0.036 660 HZ3 LYS 89 2HZ LYS 89 -12.513 7.975 1.644 661 H VAL 90 H VAL 90 -6.867 3.664 0.172 662 HA VAL 90 HA VAL 90 -4.732 5.211 -1.121 663 HB VAL 90 HB VAL 90 -5.727 2.368 -1.675 664 HG11 VAL 90 1HG1 VAL 90 -3.770 2.222 -3.185 665 HG12 VAL 90 2HG1 VAL 90 -4.925 3.493 -3.710 666 HG13 VAL 90 3HG1 VAL 90 -3.405 3.953 -2.872 667 HG21 VAL 90 3HG2 VAL 90 -4.493 2.536 0.444 668 HG22 VAL 90 1HG2 VAL 90 -3.521 1.671 -0.795 669 HG23 VAL 90 2HG2 VAL 90 -3.147 3.381 -0.393 670 H GLU 91 H GLU 91 -5.211 6.356 -2.995 671 HA GLU 91 HA GLU 91 -7.807 5.752 -4.263 672 HB2 GLU 91 2HB GLU 91 -6.512 8.463 -3.699 673 HB3 GLU 91 3HB GLU 91 -7.913 8.228 -4.752 674 HG2 GLU 91 2HG GLU 91 -9.195 7.292 -2.811 675 HG3 GLU 91 3HG GLU 91 -7.798 7.579 -1.765 676 H PHE 92 H PHE 92 -7.887 5.962 -6.568 677 HA PHE 92 HA PHE 92 -5.214 6.191 -7.800 678 HB2 PHE 92 2HB PHE 92 -7.573 4.375 -8.497 679 HB3 PHE 92 3HB PHE 92 -6.148 4.588 -9.522 680 HD1 PHE 92 HD1 PHE 92 -3.969 3.679 -8.858 681 HD2 PHE 92 HD2 PHE 92 -7.446 3.136 -6.396 682 HE1 PHE 92 HE1 PHE 92 -2.798 1.898 -7.596 683 HE2 PHE 92 HE2 PHE 92 -6.274 1.359 -5.133 684 HZ PHE 92 HZ PHE 92 -3.949 0.738 -5.729 685 H LEU 93 H LEU 93 -5.000 7.695 -9.426 686 HA LEU 93 HA LEU 93 -7.511 8.742 -10.581 687 HB2 LEU 93 2HB LEU 93 -6.521 10.420 -9.120 688 HB3 LEU 93 3HB LEU 93 -4.915 10.159 -9.814 689 HG LEU 93 HG LEU 93 -5.811 11.019 -12.038 690 HD11 LEU 93 1HD1 LEU 93 -7.914 12.308 -11.984 691 HD12 LEU 93 2HD1 LEU 93 -8.196 10.572 -11.624 692 HD13 LEU 93 3HD1 LEU 93 -8.199 11.777 -10.293 693 HD21 LEU 93 3HD2 LEU 93 -4.501 12.421 -10.483 694 HD22 LEU 93 1HD2 LEU 93 -5.768 13.386 -11.313 695 HD23 LEU 93 2HD2 LEU 93 -6.005 12.868 -9.610 696 H GLU 94 H GLU 94 -7.685 8.626 -12.791 697 HA GLU 94 HA GLU 94 -5.470 7.485 -14.253 698 HB2 GLU 94 2HB GLU 94 -7.832 6.800 -14.638 699 HB3 GLU 94 3HB GLU 94 -8.240 8.453 -15.117 700 HG2 GLU 94 2HG GLU 94 -6.658 8.279 -17.045 701 HG3 GLU 94 3HG GLU 94 -6.266 6.622 -16.569 702 H ALA 95 H ALA 95 -3.854 8.677 -15.177 703 HA ALA 95 HA ALA 95 -4.526 11.443 -15.956 704 HB1 ALA 95 3HB ALA 95 -1.843 10.142 -15.276 705 HB2 ALA 95 1HB ALA 95 -2.080 11.842 -15.805 706 HB3 ALA 95 2HB ALA 95 -2.765 11.284 -14.241 707 HA PRO 96 HA PRO 96 -3.759 10.430 -20.187 708 HB2 PRO 96 2HB PRO 96 -2.504 12.749 -21.072 709 HB3 PRO 96 3HB PRO 96 -4.228 12.735 -20.681 710 HG2 PRO 96 2HG PRO 96 -1.890 13.636 -18.965 711 HG3 PRO 96 3HG PRO 96 -3.442 14.439 -19.234 712 HD2 PRO 96 2HD PRO 96 -3.006 12.982 -16.980 713 HD3 PRO 96 3HD PRO 96 -4.601 13.002 -17.744 714 H GLN 97 H GLN 97 -0.984 11.328 -18.149 715 HA GLN 97 HA GLN 97 0.785 10.191 -20.190 716 HB2 GLN 97 2HB GLN 97 1.366 11.675 -17.577 717 HB3 GLN 97 3HB GLN 97 2.587 11.104 -18.722 718 HG2 GLN 97 2HG GLN 97 0.443 13.208 -19.273 719 HG3 GLN 97 3HG GLN 97 2.162 13.513 -18.989 720 HE21 GLN 97 1HE2 GLN 97 0.071 13.681 -21.359 721 HE22 GLN 97 2HE2 GLN 97 0.986 13.100 -22.710 722 H GLY 98 H GLY 98 -0.916 9.323 -17.260 723 HA2 GLY 98 2HA GLY 98 0.181 6.746 -17.150 724 HA3 GLY 98 3HA GLY 98 1.060 7.763 -16.001 725 H VAL 99 H VAL 99 0.027 6.136 -14.415 726 HA VAL 99 HA VAL 99 -2.629 7.169 -13.692 727 HB VAL 99 HB VAL 99 -1.309 4.499 -12.978 728 HG11 VAL 99 1HG1 VAL 99 -3.505 3.937 -11.982 729 HG12 VAL 99 2HG1 VAL 99 -2.740 5.342 -11.166 730 HG13 VAL 99 3HG1 VAL 99 -4.083 5.601 -12.330 731 HG21 VAL 99 3HG2 VAL 99 -2.029 4.599 -15.324 732 HG22 VAL 99 1HG2 VAL 99 -3.095 3.509 -14.375 733 HG23 VAL 99 2HG2 VAL 99 -3.659 5.156 -14.814 734 H THR 100 H THR 100 -2.792 8.298 -11.759 735 HA THR 100 HA THR 100 -0.317 8.478 -10.219 736 HB THR 100 HB THR 100 -2.817 10.247 -10.320 737 HG1 THR 100 HG1 THR 100 -0.062 10.726 -11.135 738 HG21 THR 100 3HG2 THR 100 -0.208 10.595 -8.761 739 HG22 THR 100 1HG2 THR 100 -1.529 11.805 -8.886 740 HG23 THR 100 2HG2 THR 100 -1.822 10.238 -8.060 741 H VAL 101 H VAL 101 -0.164 7.577 -8.179 742 HA VAL 101 HA VAL 101 -2.694 6.629 -7.020 743 HB VAL 101 HB VAL 101 0.146 5.538 -6.668 744 HG11 VAL 101 1HG1 VAL 101 -0.975 3.667 -5.496 745 HG12 VAL 101 2HG1 VAL 101 -1.247 5.236 -4.664 746 HG13 VAL 101 3HG1 VAL 101 -2.551 4.512 -5.665 747 HG21 VAL 101 3HG2 VAL 101 -0.744 5.096 -8.917 748 HG22 VAL 101 1HG2 VAL 101 -0.685 3.587 -7.945 749 HG23 VAL 101 2HG2 VAL 101 -2.250 4.428 -8.203 750 H ARG 102 H ARG 102 -3.302 7.544 -5.076 751 HA ARG 102 HA ARG 102 -1.183 8.945 -3.585 752 HB2 ARG 102 2HB ARG 102 -2.679 10.520 -4.678 753 HB3 ARG 102 3HB ARG 102 -4.083 9.743 -3.934 754 HG2 ARG 102 2HG ARG 102 -3.239 10.355 -1.685 755 HG3 ARG 102 3HG ARG 102 -1.822 11.118 -2.419 756 HD2 ARG 102 2HD ARG 102 -4.694 11.943 -2.892 757 HD3 ARG 102 3HD ARG 102 -3.593 12.696 -1.731 758 HE ARG 102 HE ARG 102 -2.251 12.865 -4.133 759 HH11 ARG 102 1HH1 ARG 102 -5.447 13.855 -3.055 760 HH12 ARG 102 2HH1 ARG 102 -5.504 15.227 -4.111 761 HH21 ARG 102 1HH2 ARG 102 -2.341 14.620 -5.486 762 HH22 ARG 102 2HH2 ARG 102 -3.721 15.667 -5.508 763 H VAL 103 H VAL 103 -0.864 8.298 -1.490 764 HA VAL 103 HA VAL 103 -3.037 6.721 -0.291 765 HB VAL 103 HB VAL 103 -0.018 6.330 0.047 766 HG11 VAL 103 1HG1 VAL 103 -0.665 4.308 1.320 767 HG12 VAL 103 2HG1 VAL 103 -1.286 5.809 2.088 768 HG13 VAL 103 3HG1 VAL 103 -2.395 4.757 1.145 769 HG21 VAL 103 3HG2 VAL 103 -0.796 5.588 -2.162 770 HG22 VAL 103 1HG2 VAL 103 -0.383 4.181 -1.124 771 HG23 VAL 103 2HG2 VAL 103 -2.103 4.625 -1.393 772 H SER 104 H SER 104 -3.823 7.598 1.602 773 HA SER 104 HA SER 104 -2.005 9.395 3.088 774 HB2 SER 104 2HB SER 104 -3.793 10.621 1.863 775 HB3 SER 104 3HB SER 104 -5.019 9.629 2.662 776 HG SER 104 HG SER 104 -3.425 11.724 3.674 777 H PHE 105 H PHE 105 -1.843 9.053 5.303 778 HA PHE 105 HA PHE 105 -3.679 7.117 6.503 779 HB2 PHE 105 2HB PHE 105 -1.878 5.709 7.288 780 HB3 PHE 105 3HB PHE 105 -1.772 5.825 5.526 781 HD1 PHE 105 HD1 PHE 105 -0.022 7.297 4.478 782 HD2 PHE 105 HD2 PHE 105 -0.115 6.498 8.700 783 HE1 PHE 105 HE1 PHE 105 2.332 8.038 4.671 784 HE2 PHE 105 HE2 PHE 105 2.238 7.244 8.890 785 HZ PHE 105 HZ PHE 105 3.466 8.013 6.879 786 H VAL 106 H VAL 106 -3.378 7.010 8.935 787 HA VAL 106 HA VAL 106 -2.816 9.674 9.902 788 HB VAL 106 HB VAL 106 -3.826 7.154 11.318 789 HG11 VAL 106 1HG1 VAL 106 -4.488 8.706 13.131 790 HG12 VAL 106 2HG1 VAL 106 -2.710 8.701 12.872 791 HG13 VAL 106 3HG1 VAL 106 -3.705 10.061 12.250 792 HG21 VAL 106 3HG2 VAL 106 -5.381 7.975 9.602 793 HG22 VAL 106 1HG2 VAL 106 -6.025 8.287 11.249 794 HG23 VAL 106 2HG2 VAL 106 -5.299 9.628 10.300 795 H ALA 107 H ALA 107 -1.072 10.274 11.227 796 HA ALA 107 HA ALA 107 1.208 8.572 11.021 797 HB1 ALA 107 3HB ALA 107 0.734 11.205 12.503 798 HB2 ALA 107 1HB ALA 107 2.332 10.439 12.212 799 HB3 ALA 107 2HB ALA 107 1.350 11.023 10.826 800 H GLU 108 H GLU 108 2.343 7.428 12.637 801 HA GLU 108 HA GLU 108 0.858 6.885 15.070 802 HB2 GLU 108 2HB GLU 108 2.013 5.091 13.778 803 HB3 GLU 108 3HB GLU 108 3.564 5.899 14.044 804 HG2 GLU 108 2HG GLU 108 3.304 4.031 15.607 805 HG3 GLU 108 3HG GLU 108 3.343 5.561 16.493 806 H THR 109 H THR 109 1.191 7.880 17.027 807 HA THR 109 HA THR 109 2.847 10.162 17.042 808 HB THR 109 HB THR 109 2.131 10.350 19.427 809 HG1 THR 109 HG1 THR 109 0.656 8.684 20.224 810 HG21 THR 109 3HG2 THR 109 -0.104 9.543 17.502 811 HG22 THR 109 1HG2 THR 109 -0.305 10.509 19.003 812 HG23 THR 109 2HG2 THR 109 0.649 11.168 17.631 813 H GLU 110 H GLU 110 3.413 6.773 17.850 814 HA GLU 110 HA GLU 110 5.488 7.240 19.752 815 HB2 GLU 110 2HB GLU 110 4.718 4.850 18.016 816 HB3 GLU 110 3HB GLU 110 6.022 4.812 19.211 817 HG2 GLU 110 2HG GLU 110 4.412 5.306 21.024 818 HG3 GLU 110 3HG GLU 110 3.097 5.436 19.849 819 H TYR 111 H TYR 111 5.284 7.580 16.281 820 HA TYR 111 HA TYR 111 8.234 7.652 16.195 821 HB2 TYR 111 2HB TYR 111 6.268 6.688 14.060 822 HB3 TYR 111 3HB TYR 111 7.990 6.974 13.777 823 HD1 TYR 111 HD1 TYR 111 5.513 4.771 15.408 824 HD2 TYR 111 HD2 TYR 111 9.689 5.460 14.693 825 HE1 TYR 111 HE1 TYR 111 6.017 2.466 16.157 826 HE2 TYR 111 HE2 TYR 111 10.200 3.157 15.444 827 HH TYR 111 HH TYR 111 9.405 1.242 16.203 828 HA PRO 112 HA PRO 112 7.716 11.785 14.658 829 HB2 PRO 112 2HB PRO 112 10.006 11.965 13.088 830 HB3 PRO 112 3HB PRO 112 10.103 11.987 14.853 831 HG2 PRO 112 2HG PRO 112 10.515 9.657 12.949 832 HG3 PRO 112 3HG PRO 112 11.493 10.137 14.342 833 HD2 PRO 112 2HD PRO 112 9.686 8.115 14.545 834 HD3 PRO 112 3HD PRO 112 9.970 9.209 15.906 835 H VAL 113 H VAL 113 6.993 13.003 12.920 836 HA VAL 113 HA VAL 113 5.444 11.615 11.137 837 HB VAL 113 HB VAL 113 6.623 14.431 11.010 838 HG11 VAL 113 1HG1 VAL 113 4.895 14.924 9.306 839 HG12 VAL 113 2HG1 VAL 113 6.070 13.694 8.730 840 HG13 VAL 113 3HG1 VAL 113 4.436 13.188 9.277 841 HG21 VAL 113 3HG2 VAL 113 5.108 13.992 12.895 842 HG22 VAL 113 1HG2 VAL 113 4.341 15.096 11.704 843 HG23 VAL 113 2HG2 VAL 113 3.861 13.366 11.764 844 H GLU 114 H GLU 114 8.838 12.848 10.738 845 HA GLU 114 HA GLU 114 9.013 12.499 7.977 846 HB2 GLU 114 2HB GLU 114 10.633 13.750 9.378 847 HB3 GLU 114 3HB GLU 114 11.143 12.246 10.155 848 HG2 GLU 114 2HG GLU 114 11.987 11.390 7.980 849 HG3 GLU 114 3HG GLU 114 11.441 12.866 7.174 850 H GLN 115 H GLN 115 9.577 10.154 10.701 851 HA GLN 115 HA GLN 115 10.834 8.228 9.068 852 HB2 GLN 115 2HB GLN 115 11.041 8.362 11.545 853 HB3 GLN 115 3HB GLN 115 9.328 7.958 11.718 854 HG2 GLN 115 2HG GLN 115 10.668 5.976 12.137 855 HG3 GLN 115 3HG GLN 115 9.739 5.747 10.650 856 HE21 GLN 115 1HE2 GLN 115 10.973 4.464 9.395 857 HE22 GLN 115 2HE2 GLN 115 12.628 4.755 8.975 858 H GLN 116 H GLN 116 7.378 8.727 10.093 859 HA GLN 116 HA GLN 116 6.504 6.276 8.950 860 HB2 GLN 116 2HB GLN 116 5.089 8.843 9.813 861 HB3 GLN 116 3HB GLN 116 4.226 7.433 9.183 862 HG2 GLN 116 2HG GLN 116 6.001 7.459 11.668 863 HG3 GLN 116 3HG GLN 116 4.234 7.528 11.665 864 HE21 GLN 116 1HE2 GLN 116 6.703 5.501 12.239 865 HE22 GLN 116 2HE2 GLN 116 6.009 3.984 11.773 866 H GLN 117 H GLN 117 6.670 9.716 7.789 867 HA GLN 117 HA GLN 117 5.282 9.297 5.392 868 HB2 GLN 117 2HB GLN 117 5.838 11.519 6.346 869 HB3 GLN 117 3HB GLN 117 7.561 11.216 6.090 870 HG2 GLN 117 2HG GLN 117 7.190 11.115 3.636 871 HG3 GLN 117 3HG GLN 117 5.459 11.386 3.879 872 HE21 GLN 117 1HE2 GLN 117 6.307 13.185 2.299 873 HE22 GLN 117 2HE2 GLN 117 6.686 14.701 3.046 874 H GLN 118 H GLN 118 8.834 9.008 6.194 875 HA GLN 118 HA GLN 118 9.580 8.396 3.535 876 HB2 GLN 118 2HB GLN 118 10.877 7.899 6.257 877 HB3 GLN 118 3HB GLN 118 11.663 7.494 4.725 878 HG2 GLN 118 2HG GLN 118 10.763 10.283 5.587 879 HG3 GLN 118 3HG GLN 118 12.422 9.671 5.627 880 HE21 GLN 118 1HE2 GLN 118 10.781 11.816 4.034 881 HE22 GLN 118 2HE2 GLN 118 11.324 11.594 2.404 882 H GLY 119 H GLY 119 8.468 6.398 6.343 883 HA2 GLY 119 2HA GLY 119 9.240 3.904 5.324 884 HA3 GLY 119 3HA GLY 119 7.936 4.227 6.474 885 H TRP 120 H TRP 120 6.109 5.764 4.945 886 HA TRP 120 HA TRP 120 4.937 3.766 3.301 887 HB2 TRP 120 2HB TRP 120 4.315 6.450 4.360 888 HB3 TRP 120 3HB TRP 120 3.760 6.256 2.693 889 HD1 TRP 120 HD1 TRP 120 1.499 4.993 2.361 890 HE1 TRP 120 HE1 TRP 120 -0.066 3.614 3.890 891 HE3 TRP 120 HE3 TRP 120 4.484 4.710 6.534 892 HZ2 TRP 120 HZ2 TRP 120 -0.054 2.551 6.496 893 HZ3 TRP 120 HZ3 TRP 120 3.635 3.491 8.522 894 HH2 TRP 120 HH2 TRP 120 1.397 2.421 8.499 895 H GLN 121 H GLN 121 6.985 6.676 2.667 896 HA GLN 121 HA GLN 121 6.585 6.704 -0.121 897 HB2 GLN 121 2HB GLN 121 7.574 8.553 1.267 898 HB3 GLN 121 3HB GLN 121 9.011 7.558 1.539 899 HG2 GLN 121 2HG GLN 121 9.494 9.146 -0.216 900 HG3 GLN 121 3HG GLN 121 9.439 7.527 -0.925 901 HE21 GLN 121 1HE2 GLN 121 8.575 7.619 -2.904 902 HE22 GLN 121 2HE2 GLN 121 7.187 8.543 -3.373 903 H ALA 122 H ALA 122 8.839 4.860 2.030 904 HA ALA 122 HA ALA 122 10.556 4.002 -0.029 905 HB1 ALA 122 3HB ALA 122 9.847 2.746 2.667 906 HB2 ALA 122 1HB ALA 122 11.253 2.303 1.641 907 HB3 ALA 122 2HB ALA 122 11.148 3.946 2.359 908 H ILE 123 H ILE 123 7.574 2.499 1.441 909 HA ILE 123 HA ILE 123 7.801 0.197 -0.219 910 HB ILE 123 HB ILE 123 5.543 -0.339 0.645 911 HG12 ILE 123 2HG1 ILE 123 5.668 2.391 2.008 912 HG13 ILE 123 3HG1 ILE 123 4.699 2.033 0.573 913 HG21 ILE 123 1HG2 ILE 123 6.100 -0.411 3.054 914 HG22 ILE 123 2HG2 ILE 123 7.505 -0.861 2.029 915 HG23 ILE 123 3HG2 ILE 123 7.426 0.769 2.778 916 HD11 ILE 123 3HD1 ILE 123 4.403 0.700 3.302 917 HD12 ILE 123 1HD1 ILE 123 3.328 1.959 2.606 918 HD13 ILE 123 2HD1 ILE 123 3.418 0.335 1.845 919 H LEU 124 H LEU 124 6.280 3.429 -0.509 920 HA LEU 124 HA LEU 124 4.656 2.770 -2.751 921 HB2 LEU 124 2HB LEU 124 4.467 4.787 -1.192 922 HB3 LEU 124 3HB LEU 124 5.899 5.453 -1.987 923 HG LEU 124 HG LEU 124 4.666 5.434 -4.181 924 HD11 LEU 124 1HD1 LEU 124 2.224 5.072 -4.156 925 HD12 LEU 124 2HD1 LEU 124 3.114 3.587 -3.677 926 HD13 LEU 124 3HD1 LEU 124 2.310 4.595 -2.427 927 HD21 LEU 124 3HD2 LEU 124 4.741 7.445 -2.751 928 HD22 LEU 124 1HD2 LEU 124 3.169 7.318 -3.611 929 HD23 LEU 124 2HD2 LEU 124 3.279 6.881 -1.873 930 H ASN 125 H ASN 125 8.101 3.780 -2.327 931 HA ASN 125 HA ASN 125 8.579 4.272 -5.055 932 HB2 ASN 125 2HB ASN 125 10.360 3.476 -2.730 933 HB3 ASN 125 3HB ASN 125 10.990 3.750 -4.360 934 HD21 ASN 125 1HD2 ASN 125 11.838 5.208 -2.211 935 HD22 ASN 125 2HD2 ASN 125 11.374 6.860 -2.448 936 H ASN 126 H ASN 126 8.779 1.256 -3.028 937 HA ASN 126 HA ASN 126 9.748 -0.357 -5.132 938 HB2 ASN 126 2HB ASN 126 8.301 -0.888 -2.528 939 HB3 ASN 126 3HB ASN 126 8.635 -2.196 -3.671 940 HD21 ASN 126 1HD2 ASN 126 9.719 -0.693 -0.995 941 HD22 ASN 126 2HD2 ASN 126 11.386 -1.158 -1.060 942 H PHE 127 H PHE 127 6.411 0.565 -4.034 943 HA PHE 127 HA PHE 127 4.987 -1.084 -5.771 944 HB2 PHE 127 2HB PHE 127 3.902 0.169 -4.000 945 HB3 PHE 127 3HB PHE 127 4.462 1.711 -4.662 946 HD1 PHE 127 HD1 PHE 127 2.047 -1.052 -5.034 947 HD2 PHE 127 HD2 PHE 127 3.400 2.699 -6.632 948 HE1 PHE 127 HE1 PHE 127 -0.033 -0.867 -6.365 949 HE2 PHE 127 HE2 PHE 127 1.318 2.886 -7.957 950 HZ PHE 127 HZ PHE 127 -0.402 1.101 -7.826 951 H LYS 128 H LYS 128 6.407 2.234 -6.315 952 HA LYS 128 HA LYS 128 5.344 2.573 -8.878 953 HB2 LYS 128 2HB LYS 128 6.334 4.374 -7.500 954 HB3 LYS 128 3HB LYS 128 7.927 3.615 -7.620 955 HG2 LYS 128 2HG LYS 128 7.828 3.935 -10.133 956 HG3 LYS 128 3HG LYS 128 6.309 4.816 -9.921 957 HD2 LYS 128 2HD LYS 128 7.577 6.358 -8.283 958 HD3 LYS 128 3HD LYS 128 9.065 5.574 -8.829 959 HE2 LYS 128 2HE LYS 128 7.070 6.840 -10.768 960 HE3 LYS 128 3HE LYS 128 8.384 7.760 -10.024 961 HZ1 LYS 128 3HZ LYS 128 8.621 5.461 -11.841 962 HZ2 LYS 128 1HZ LYS 128 9.179 6.980 -12.059 963 HZ3 LYS 128 2HZ LYS 128 9.886 6.000 -10.961 964 H ARG 129 H ARG 129 8.573 1.212 -7.819 965 HA ARG 129 HA ARG 129 9.488 0.941 -10.472 966 HB2 ARG 129 2HB ARG 129 10.400 -0.228 -7.841 967 HB3 ARG 129 3HB ARG 129 11.188 -0.606 -9.378 968 HG2 ARG 129 2HG ARG 129 11.656 1.804 -9.737 969 HG3 ARG 129 3HG ARG 129 10.855 2.192 -8.209 970 HD2 ARG 129 2HD ARG 129 12.512 0.892 -6.982 971 HD3 ARG 129 3HD ARG 129 13.295 0.427 -8.498 972 HE ARG 129 HE ARG 129 13.219 3.253 -8.374 973 HH11 ARG 129 1HH1 ARG 129 14.741 0.578 -6.676 974 HH12 ARG 129 2HH1 ARG 129 16.153 1.493 -6.264 975 HH21 ARG 129 1HH2 ARG 129 15.027 4.416 -7.826 976 HH22 ARG 129 2HH2 ARG 129 16.318 3.697 -6.922 977 H HIS 130 H HIS 130 7.632 -1.225 -8.273 978 HA HIS 130 HA HIS 130 8.067 -3.560 -9.828 979 HB2 HIS 130 2HB HIS 130 7.421 -3.628 -7.448 980 HB3 HIS 130 3HB HIS 130 5.901 -2.797 -7.806 981 HD2 HIS 130 HD2 HIS 130 3.812 -4.491 -8.377 982 HE1 HIS 130 HE1 HIS 130 6.123 -8.029 -9.056 983 H VAL 131 H VAL 131 5.269 -1.203 -9.595 984 HA VAL 131 HA VAL 131 3.753 -2.761 -11.424 985 HB VAL 131 HB VAL 131 3.391 0.060 -10.294 986 HG11 VAL 131 1HG1 VAL 131 1.057 -0.097 -11.110 987 HG12 VAL 131 2HG1 VAL 131 2.242 -0.134 -12.460 988 HG13 VAL 131 3HG1 VAL 131 1.450 -1.652 -11.918 989 HG21 VAL 131 3HG2 VAL 131 3.275 -1.739 -8.624 990 HG22 VAL 131 1HG2 VAL 131 1.652 -1.020 -8.902 991 HG23 VAL 131 2HG2 VAL 131 2.067 -2.610 -9.627 992 H GLU 132 H GLU 132 5.678 0.323 -11.643 993 HA GLU 132 HA GLU 132 4.762 1.139 -14.133 994 HB2 GLU 132 2HB GLU 132 6.125 2.503 -12.570 995 HB3 GLU 132 3HB GLU 132 7.518 1.451 -12.848 996 HG2 GLU 132 2HG GLU 132 7.590 2.127 -15.228 997 HG3 GLU 132 3HG GLU 132 6.144 3.122 -15.011 998 H SER 133 H SER 133 7.092 -1.443 -13.259 999 HA SER 133 HA SER 133 8.378 -1.461 -15.814 1000 HB2 SER 133 2HB SER 133 9.500 -3.419 -14.958 1001 HB3 SER 133 3HB SER 133 9.422 -2.209 -13.671 1002 HG SER 133 HG SER 133 7.549 -3.340 -12.832 1003 H HIS 134 H HIS 134 5.216 -2.302 -14.951 1004 HA HIS 134 HA HIS 134 5.148 -4.750 -16.526 1005 HB2 HIS 134 2HB HIS 134 2.987 -3.200 -15.013 1006 HB3 HIS 134 3HB HIS 134 2.732 -4.738 -15.849 1007 HD2 HIS 134 HD2 HIS 134 5.899 -5.699 -14.459 1008 HE1 HIS 134 HE1 HIS 134 3.342 -5.919 -11.034 1009 H LEU 135 H LEU 135 5.404 -1.582 -17.400 1010 HA LEU 135 HA LEU 135 4.081 -2.208 -19.915 1011 HB2 LEU 135 2HB LEU 135 2.329 -1.005 -18.703 1012 HB3 LEU 135 3HB LEU 135 3.466 0.263 -18.225 1013 HG LEU 135 HG LEU 135 3.745 0.854 -20.684 1014 HD11 LEU 135 1HD1 LEU 135 2.038 0.016 -22.253 1015 HD12 LEU 135 2HD1 LEU 135 3.062 -1.317 -21.621 1016 HD13 LEU 135 3HD1 LEU 135 1.401 -1.079 -20.980 1017 HD21 LEU 135 3HD2 LEU 135 2.248 2.102 -19.167 1018 HD22 LEU 135 1HD2 LEU 135 1.557 2.002 -20.822 1019 HD23 LEU 135 2HD2 LEU 135 0.920 0.945 -19.517 1020 H GLU 136 H GLU 136 5.612 -1.884 -21.472 1021 HA GLU 136 HA GLU 136 7.847 -0.141 -20.955 1022 HB2 GLU 136 2HB GLU 136 6.934 -1.703 -23.417 1023 HB3 GLU 136 3HB GLU 136 8.442 -0.783 -23.320 1024 HG2 GLU 136 2HG GLU 136 9.194 -2.239 -21.427 1025 HG3 GLU 136 3HG GLU 136 7.696 -3.170 -21.558 1026 H HIS 137 H HIS 137 8.277 1.894 -21.886 1027 HA HIS 137 HA HIS 137 6.068 3.019 -23.485 1028 HB2 HIS 137 2HB HIS 137 6.030 3.878 -21.149 1029 HB3 HIS 137 3HB HIS 137 7.719 4.381 -21.298 1030 HD2 HIS 137 HD2 HIS 137 8.023 6.954 -22.200 1031 HE1 HIS 137 HE1 HIS 137 4.090 7.470 -23.805 1032 H HIS 138 H HIS 138 9.570 3.504 -22.501 1033 HA HIS 138 HA HIS 138 10.322 3.703 -25.258 1034 HB2 HIS 138 2HB HIS 138 9.389 5.979 -24.876 1035 HB3 HIS 138 3HB HIS 138 10.456 6.190 -23.481 1036 HD2 HIS 138 HD2 HIS 138 12.896 7.288 -24.105 1037 HE1 HIS 138 HE1 HIS 138 12.753 6.625 -28.332 Start of MODEL 9 1 H1 MET 1 1H MET 1 -1.498 13.651 14.329 2 H2 MET 1 2H MET 1 -2.549 12.777 13.436 3 H3 MET 1 3H MET 1 -1.154 12.101 13.948 4 HA MET 1 HA MET 1 -1.297 14.394 12.155 5 HB2 MET 1 2HB MET 1 0.960 12.488 12.939 6 HB3 MET 1 3HB MET 1 1.077 13.711 11.667 7 HG2 MET 1 2HG MET 1 0.557 14.267 14.627 8 HG3 MET 1 3HG MET 1 2.110 14.448 13.801 9 HE1 MET 1 3HE MET 1 1.505 15.679 11.043 10 HE2 MET 1 1HE MET 1 1.481 17.446 11.363 11 HE3 MET 1 2HE MET 1 2.719 16.409 12.147 12 H ASN 2 H ASN 2 -1.985 13.995 10.089 13 HA ASN 2 HA ASN 2 -1.980 11.202 9.200 14 HB2 ASN 2 2HB ASN 2 -3.340 13.691 8.102 15 HB3 ASN 2 3HB ASN 2 -3.391 12.098 7.335 16 HD21 ASN 2 1HD2 ASN 2 -5.022 14.165 9.267 17 HD22 ASN 2 2HD2 ASN 2 -6.098 13.044 10.034 18 H ILE 3 H ILE 3 -0.502 10.477 7.708 19 HA ILE 3 HA ILE 3 1.099 12.554 6.382 20 HB ILE 3 HB ILE 3 1.788 9.637 7.015 21 HG12 ILE 3 2HG1 ILE 3 1.729 11.040 9.030 22 HG13 ILE 3 3HG1 ILE 3 3.388 10.576 8.627 23 HG21 ILE 3 1HG2 ILE 3 4.058 10.245 6.246 24 HG22 ILE 3 2HG2 ILE 3 2.840 10.417 4.937 25 HG23 ILE 3 3HG2 ILE 3 3.461 11.875 5.784 26 HD11 ILE 3 3HD1 ILE 3 2.094 13.273 8.022 27 HD12 ILE 3 1HD1 ILE 3 3.272 12.923 9.331 28 HD13 ILE 3 2HD1 ILE 3 3.778 12.802 7.612 29 H THR 4 H THR 4 1.155 12.613 4.124 30 HA THR 4 HA THR 4 -0.342 10.459 2.796 31 HB THR 4 HB THR 4 -0.313 13.449 2.124 32 HG1 THR 4 HG1 THR 4 -2.579 13.273 2.771 33 HG21 THR 4 3HG2 THR 4 -1.856 11.113 0.892 34 HG22 THR 4 1HG2 THR 4 -2.058 12.848 0.471 35 HG23 THR 4 2HG2 THR 4 -0.505 12.015 0.125 36 H VAL 5 H VAL 5 0.570 9.606 0.890 37 HA VAL 5 HA VAL 5 2.849 11.088 -0.209 38 HB VAL 5 HB VAL 5 3.934 8.877 -0.704 39 HG11 VAL 5 1HG1 VAL 5 4.746 8.467 1.600 40 HG12 VAL 5 2HG1 VAL 5 4.645 10.222 1.229 41 HG13 VAL 5 3HG1 VAL 5 3.386 9.445 2.248 42 HG21 VAL 5 3HG2 VAL 5 1.932 7.457 -0.601 43 HG22 VAL 5 1HG2 VAL 5 3.186 6.876 0.546 44 HG23 VAL 5 2HG2 VAL 5 1.768 7.793 1.156 45 H GLU 6 H GLU 6 3.300 10.490 -2.554 46 HA GLU 6 HA GLU 6 0.997 9.368 -3.940 47 HB2 GLU 6 2HB GLU 6 0.407 11.755 -3.552 48 HB3 GLU 6 3HB GLU 6 1.930 12.258 -4.299 49 HG2 GLU 6 2HG GLU 6 1.219 11.267 -6.460 50 HG3 GLU 6 3HG GLU 6 -0.287 10.703 -5.722 51 H THR 7 H THR 7 1.553 8.503 -5.961 52 HA THR 7 HA THR 7 4.050 9.350 -7.154 53 HB THR 7 HB THR 7 4.640 7.449 -5.582 54 HG1 THR 7 HG1 THR 7 6.119 6.954 -7.062 55 HG21 THR 7 3HG2 THR 7 2.868 5.853 -7.496 56 HG22 THR 7 1HG2 THR 7 3.930 5.163 -6.223 57 HG23 THR 7 2HG2 THR 7 2.527 6.186 -5.764 58 H THR 8 H THR 8 4.024 9.122 -9.435 59 HA THR 8 HA THR 8 1.528 8.002 -10.492 60 HB THR 8 HB THR 8 3.531 9.986 -11.692 61 HG1 THR 8 HG1 THR 8 1.672 11.429 -11.482 62 HG21 THR 8 3HG2 THR 8 0.895 8.906 -12.804 63 HG22 THR 8 1HG2 THR 8 1.888 10.211 -13.534 64 HG23 THR 8 2HG2 THR 8 2.538 8.540 -13.429 65 H VAL 9 H VAL 9 1.586 6.188 -11.816 66 HA VAL 9 HA VAL 9 4.283 5.252 -12.522 67 HB VAL 9 HB VAL 9 3.367 2.938 -12.277 68 HG11 VAL 9 1HG1 VAL 9 3.288 2.918 -9.802 69 HG12 VAL 9 2HG1 VAL 9 4.595 3.983 -10.420 70 HG13 VAL 9 3HG1 VAL 9 3.071 4.701 -9.799 71 HG21 VAL 9 3HG2 VAL 9 0.995 3.436 -12.677 72 HG22 VAL 9 1HG2 VAL 9 1.216 2.603 -11.102 73 HG23 VAL 9 2HG2 VAL 9 0.921 4.374 -11.147 74 H ALA 10 H ALA 10 4.490 4.069 -14.561 75 HA ALA 10 HA ALA 10 2.311 4.715 -16.430 76 HB1 ALA 10 3HB ALA 10 5.251 3.997 -16.876 77 HB2 ALA 10 1HB ALA 10 4.060 4.383 -18.164 78 HB3 ALA 10 2HB ALA 10 4.531 5.640 -16.970 79 H ALA 11 H ALA 11 0.961 2.872 -15.711 80 HA ALA 11 HA ALA 11 1.667 0.568 -17.330 81 HB1 ALA 11 3HB ALA 11 1.035 0.359 -14.346 82 HB2 ALA 11 1HB ALA 11 1.147 -1.018 -15.493 83 HB3 ALA 11 2HB ALA 11 2.602 -0.030 -15.132 84 HA PRO 12 HA PRO 12 -2.630 0.347 -18.242 85 HB2 PRO 12 2HB PRO 12 -2.646 -2.509 -17.168 86 HB3 PRO 12 3HB PRO 12 -3.151 -1.932 -18.762 87 HG2 PRO 12 2HG PRO 12 -0.833 -3.221 -18.523 88 HG3 PRO 12 3HG PRO 12 -0.925 -1.800 -19.571 89 HD2 PRO 12 2HD PRO 12 0.240 -2.029 -16.769 90 HD3 PRO 12 3HD PRO 12 0.865 -1.135 -18.161 91 H VAL 13 H VAL 13 -4.690 0.632 -17.405 92 HA VAL 13 HA VAL 13 -4.532 1.687 -14.839 93 HB VAL 13 HB VAL 13 -6.918 0.979 -16.616 94 HG11 VAL 13 1HG1 VAL 13 -8.251 2.471 -15.157 95 HG12 VAL 13 2HG1 VAL 13 -7.640 1.036 -14.266 96 HG13 VAL 13 3HG1 VAL 13 -6.847 2.632 -14.048 97 HG21 VAL 13 3HG2 VAL 13 -5.399 2.681 -17.524 98 HG22 VAL 13 1HG2 VAL 13 -6.962 3.416 -17.032 99 HG23 VAL 13 2HG2 VAL 13 -5.509 3.615 -15.994 100 H GLY 14 H GLY 14 -6.025 -1.425 -16.049 101 HA2 GLY 14 2HA GLY 14 -7.223 -2.102 -13.591 102 HA3 GLY 14 3HA GLY 14 -6.844 -3.190 -14.933 103 H LYS 15 H LYS 15 -3.941 -2.839 -14.994 104 HA LYS 15 HA LYS 15 -3.272 -4.757 -13.045 105 HB2 LYS 15 2HB LYS 15 -1.629 -2.950 -14.875 106 HB3 LYS 15 3HB LYS 15 -0.896 -4.158 -13.812 107 HG2 LYS 15 2HG LYS 15 -2.283 -5.937 -14.963 108 HG3 LYS 15 3HG LYS 15 -2.868 -4.701 -16.085 109 HD2 LYS 15 2HD LYS 15 -0.473 -4.200 -16.726 110 HD3 LYS 15 3HD LYS 15 0.058 -5.514 -15.667 111 HE2 LYS 15 2HE LYS 15 -1.317 -7.135 -16.989 112 HE3 LYS 15 3HE LYS 15 -1.849 -5.822 -18.047 113 HZ1 LYS 15 3HZ LYS 15 0.947 -6.698 -17.697 114 HZ2 LYS 15 1HZ LYS 15 -0.001 -7.021 -18.986 115 HZ3 LYS 15 2HZ LYS 15 0.457 -5.486 -18.674 116 H VAL 16 H VAL 16 -2.914 -1.153 -13.167 117 HA VAL 16 HA VAL 16 -1.236 -1.080 -10.878 118 HB VAL 16 HB VAL 16 -2.926 1.046 -12.286 119 HG11 VAL 16 1HG1 VAL 16 -1.595 2.702 -11.011 120 HG12 VAL 16 2HG1 VAL 16 -2.585 1.664 -9.929 121 HG13 VAL 16 3HG1 VAL 16 -0.821 1.366 -10.094 122 HG21 VAL 16 3HG2 VAL 16 -1.091 0.128 -13.640 123 HG22 VAL 16 1HG2 VAL 16 -0.737 1.818 -13.146 124 HG23 VAL 16 2HG2 VAL 16 0.070 0.449 -12.307 125 H TRP 17 H TRP 17 -4.803 -0.615 -11.461 126 HA TRP 17 HA TRP 17 -5.371 0.267 -8.846 127 HB2 TRP 17 2HB TRP 17 -7.023 -1.036 -11.058 128 HB3 TRP 17 3HB TRP 17 -7.732 -0.542 -9.515 129 HD1 TRP 17 HD1 TRP 17 -5.035 1.846 -10.636 130 HE1 TRP 17 HE1 TRP 17 -6.102 4.000 -11.589 131 HE3 TRP 17 HE3 TRP 17 -9.905 0.245 -10.983 132 HZ2 TRP 17 HZ2 TRP 17 -8.644 4.902 -12.384 133 HZ3 TRP 17 HZ3 TRP 17 -11.618 1.823 -11.862 134 HH2 TRP 17 HH2 TRP 17 -11.009 4.093 -12.546 135 H ARG 18 H ARG 18 -5.226 -3.031 -10.351 136 HA ARG 18 HA ARG 18 -6.357 -4.358 -8.140 137 HB2 ARG 18 2HB ARG 18 -4.595 -5.253 -10.420 138 HB3 ARG 18 3HB ARG 18 -5.105 -6.354 -9.134 139 HG2 ARG 18 2HG ARG 18 -7.476 -5.912 -9.670 140 HG3 ARG 18 3HG ARG 18 -6.993 -4.764 -10.925 141 HD2 ARG 18 2HD ARG 18 -5.869 -6.560 -12.150 142 HD3 ARG 18 3HD ARG 18 -6.320 -7.714 -10.888 143 HE ARG 18 HE ARG 18 -8.695 -6.521 -11.800 144 HH11 ARG 18 1HH1 ARG 18 -6.133 -8.529 -13.126 145 HH12 ARG 18 2HH1 ARG 18 -7.182 -9.323 -14.253 146 HH21 ARG 18 1HH2 ARG 18 -10.024 -7.539 -13.257 147 HH22 ARG 18 2HH2 ARG 18 -9.416 -8.756 -14.329 148 H ALA 19 H ALA 19 -3.153 -2.949 -8.684 149 HA ALA 19 HA ALA 19 -1.786 -4.777 -6.949 150 HB1 ALA 19 3HB ALA 19 -1.014 -2.052 -8.101 151 HB2 ALA 19 1HB ALA 19 0.096 -3.190 -7.265 152 HB3 ALA 19 2HB ALA 19 -0.657 -3.656 -8.827 153 H TYR 20 H TYR 20 -4.082 -2.405 -6.260 154 HA TYR 20 HA TYR 20 -2.938 -0.761 -4.378 155 HB2 TYR 20 2HB TYR 20 -5.128 -0.269 -3.721 156 HB3 TYR 20 3HB TYR 20 -5.341 -0.844 -5.380 157 HD1 TYR 20 HD1 TYR 20 -6.190 -3.189 -5.784 158 HD2 TYR 20 HD2 TYR 20 -6.105 -1.437 -1.867 159 HE1 TYR 20 HE1 TYR 20 -7.799 -4.893 -4.989 160 HE2 TYR 20 HE2 TYR 20 -7.716 -3.136 -1.066 161 HH TYR 20 HH TYR 20 -8.939 -4.904 -1.572 162 H THR 21 H THR 21 -3.997 -4.205 -4.024 163 HA THR 21 HA THR 21 -2.163 -4.292 -1.786 164 HB THR 21 HB THR 21 -5.013 -5.393 -1.554 165 HG1 THR 21 HG1 THR 21 -5.235 -3.221 -1.173 166 HG21 THR 21 3HG2 THR 21 -2.695 -5.265 0.439 167 HG22 THR 21 1HG2 THR 21 -4.352 -5.865 0.788 168 HG23 THR 21 2HG2 THR 21 -3.308 -6.741 -0.381 169 H THR 22 H THR 22 -1.058 -5.375 -3.771 170 HA THR 22 HA THR 22 -1.908 -8.176 -3.879 171 HB THR 22 HB THR 22 0.161 -6.613 -5.511 172 HG1 THR 22 HG1 THR 22 -1.410 -7.032 -7.225 173 HG21 THR 22 3HG2 THR 22 -0.784 -9.513 -5.748 174 HG22 THR 22 1HG2 THR 22 0.312 -8.666 -6.892 175 HG23 THR 22 2HG2 THR 22 0.838 -8.967 -5.201 176 HA PRO 23 HA PRO 23 1.137 -8.938 -0.758 177 HB2 PRO 23 2HB PRO 23 1.070 -11.751 -1.002 178 HB3 PRO 23 3HB PRO 23 -0.187 -10.851 -0.144 179 HG2 PRO 23 2HG PRO 23 -0.182 -11.879 -2.995 180 HG3 PRO 23 3HG PRO 23 -1.479 -11.935 -1.794 181 HD2 PRO 23 2HD PRO 23 -1.519 -10.065 -3.751 182 HD3 PRO 23 3HD PRO 23 -2.064 -9.648 -2.121 183 H GLU 24 H GLU 24 1.460 -10.447 -4.017 184 HA GLU 24 HA GLU 24 4.180 -11.146 -3.634 185 HB2 GLU 24 2HB GLU 24 2.463 -10.602 -6.100 186 HB3 GLU 24 3HB GLU 24 4.149 -11.129 -6.194 187 HG2 GLU 24 2HG GLU 24 3.599 -13.220 -5.003 188 HG3 GLU 24 3HG GLU 24 1.927 -12.687 -4.784 189 H ASP 25 H ASP 25 2.493 -8.127 -4.666 190 HA ASP 25 HA ASP 25 4.843 -6.972 -5.798 191 HB2 ASP 25 2HB ASP 25 2.115 -5.900 -4.958 192 HB3 ASP 25 3HB ASP 25 3.378 -4.857 -5.623 193 H ILE 26 H ILE 26 3.177 -6.766 -2.575 194 HA ILE 26 HA ILE 26 4.700 -4.545 -1.733 195 HB ILE 26 HB ILE 26 3.790 -5.087 0.517 196 HG12 ILE 26 2HG1 ILE 26 2.577 -7.545 -0.830 197 HG13 ILE 26 3HG1 ILE 26 3.995 -7.590 0.226 198 HG21 ILE 26 1HG2 ILE 26 1.393 -4.894 -0.053 199 HG22 ILE 26 2HG2 ILE 26 2.412 -3.828 -1.078 200 HG23 ILE 26 3HG2 ILE 26 1.762 -5.362 -1.747 201 HD11 ILE 26 3HD1 ILE 26 1.208 -6.638 1.025 202 HD12 ILE 26 1HD1 ILE 26 1.961 -8.212 1.450 203 HD13 ILE 26 2HD1 ILE 26 2.647 -6.683 2.098 204 H LYS 27 H LYS 27 5.547 -7.880 -2.158 205 HA LYS 27 HA LYS 27 7.374 -8.285 -0.102 206 HB2 LYS 27 2HB LYS 27 7.359 -9.117 -3.038 207 HB3 LYS 27 3HB LYS 27 8.562 -9.692 -1.876 208 HG2 LYS 27 2HG LYS 27 6.760 -10.704 -0.492 209 HG3 LYS 27 3HG LYS 27 5.541 -10.104 -1.624 210 HD2 LYS 27 2HD LYS 27 6.566 -11.447 -3.460 211 HD3 LYS 27 3HD LYS 27 7.816 -12.026 -2.351 212 HE2 LYS 27 2HE LYS 27 6.062 -13.071 -0.910 213 HE3 LYS 27 3HE LYS 27 4.805 -12.480 -2.004 214 HZ1 LYS 27 3HZ LYS 27 6.955 -14.361 -2.743 215 HZ2 LYS 27 1HZ LYS 27 5.392 -14.751 -2.477 216 HZ3 LYS 27 2HZ LYS 27 5.794 -13.815 -3.753 217 H GLN 28 H GLN 28 7.474 -6.021 -2.839 218 HA GLN 28 HA GLN 28 10.297 -5.610 -2.725 219 HB2 GLN 28 2HB GLN 28 7.995 -3.884 -3.769 220 HB3 GLN 28 3HB GLN 28 9.710 -3.529 -4.017 221 HG2 GLN 28 2HG GLN 28 8.230 -6.004 -5.026 222 HG3 GLN 28 3HG GLN 28 8.687 -4.598 -5.997 223 HE21 GLN 28 1HE2 GLN 28 9.480 -7.644 -5.719 224 HE22 GLN 28 2HE2 GLN 28 11.204 -7.602 -5.887 225 H TRP 29 H TRP 29 7.648 -4.742 -0.625 226 HA TRP 29 HA TRP 29 8.964 -2.308 0.293 227 HB2 TRP 29 2HB TRP 29 6.400 -3.724 1.178 228 HB3 TRP 29 3HB TRP 29 6.964 -2.158 1.777 229 HD1 TRP 29 HD1 TRP 29 7.811 -2.032 -1.764 230 HE1 TRP 29 HE1 TRP 29 5.970 -0.865 -3.156 231 HE3 TRP 29 HE3 TRP 29 3.998 -2.159 1.679 232 HZ2 TRP 29 HZ2 TRP 29 3.278 -0.104 -2.850 233 HZ3 TRP 29 HZ3 TRP 29 1.796 -1.186 1.052 234 HH2 TRP 29 HH2 TRP 29 1.439 -0.185 -1.152 235 H ASN 30 H ASN 30 10.321 -4.998 0.630 236 HA ASN 30 HA ASN 30 9.880 -6.078 3.135 237 HB2 ASN 30 2HB ASN 30 12.045 -7.095 2.912 238 HB3 ASN 30 3HB ASN 30 11.235 -7.102 1.339 239 HD21 ASN 30 1HD2 ASN 30 12.314 -6.396 -0.339 240 HD22 ASN 30 2HD2 ASN 30 13.708 -5.368 -0.312 241 H ALA 31 H ALA 31 11.313 -5.966 5.116 242 HA ALA 31 HA ALA 31 11.539 -3.132 5.760 243 HB1 ALA 31 3HB ALA 31 11.607 -5.663 7.473 244 HB2 ALA 31 1HB ALA 31 11.619 -3.978 8.092 245 HB3 ALA 31 2HB ALA 31 10.187 -4.598 7.203 246 H ALA 32 H ALA 32 13.576 -6.133 5.662 247 HA ALA 32 HA ALA 32 15.858 -4.503 6.537 248 HB1 ALA 32 3HB ALA 32 15.483 -7.523 6.230 249 HB2 ALA 32 1HB ALA 32 16.966 -6.706 6.829 250 HB3 ALA 32 2HB ALA 32 15.439 -6.595 7.767 251 H SER 33 H SER 33 15.741 -7.385 4.320 252 HA SER 33 HA SER 33 16.650 -5.724 2.112 253 HB2 SER 33 2HB SER 33 18.741 -6.181 3.286 254 HB3 SER 33 3HB SER 33 18.347 -7.901 3.411 255 HG SER 33 HG SER 33 19.800 -7.449 1.666 256 H ASP 34 H ASP 34 16.643 -6.921 0.041 257 HA ASP 34 HA ASP 34 14.419 -8.713 -0.015 258 HB2 ASP 34 2HB ASP 34 14.773 -8.672 -2.433 259 HB3 ASP 34 3HB ASP 34 14.838 -7.033 -1.774 260 H ASP 35 H ASP 35 17.599 -9.278 0.913 261 HA ASP 35 HA ASP 35 17.507 -12.008 -0.205 262 HB2 ASP 35 2HB ASP 35 19.843 -10.359 0.876 263 HB3 ASP 35 3HB ASP 35 19.948 -12.051 0.374 264 H TRP 36 H TRP 36 17.610 -9.990 2.763 265 HA TRP 36 HA TRP 36 18.070 -12.436 4.338 266 HB2 TRP 36 2HB TRP 36 18.466 -9.477 5.011 267 HB3 TRP 36 3HB TRP 36 18.729 -10.814 6.138 268 HD1 TRP 36 HD1 TRP 36 20.422 -8.879 3.360 269 HE1 TRP 36 HE1 TRP 36 22.794 -9.826 2.950 270 HE3 TRP 36 HE3 TRP 36 20.066 -13.172 6.160 271 HZ2 TRP 36 HZ2 TRP 36 24.309 -12.072 3.704 272 HZ3 TRP 36 HZ3 TRP 36 22.035 -14.690 6.270 273 HH2 TRP 36 HH2 TRP 36 24.107 -14.156 5.081 274 H HIS 37 H HIS 37 15.525 -10.522 3.230 275 HA HIS 37 HA HIS 37 14.062 -10.826 5.774 276 HB2 HIS 37 2HB HIS 37 14.439 -8.467 4.866 277 HB3 HIS 37 3HB HIS 37 13.459 -8.919 3.464 278 HD2 HIS 37 HD2 HIS 37 12.988 -8.152 7.302 279 HE1 HIS 37 HE1 HIS 37 9.132 -8.456 5.471 280 H THR 38 H THR 38 12.154 -12.032 5.776 281 HA THR 38 HA THR 38 11.279 -13.007 3.151 282 HB THR 38 HB THR 38 10.781 -14.102 5.970 283 HG1 THR 38 HG1 THR 38 12.070 -15.885 5.109 284 HG21 THR 38 3HG2 THR 38 9.901 -15.160 3.239 285 HG22 THR 38 1HG2 THR 38 9.693 -16.002 4.812 286 HG23 THR 38 2HG2 THR 38 8.832 -14.458 4.499 287 H THR 39 H THR 39 9.344 -12.236 2.341 288 HA THR 39 HA THR 39 7.560 -10.941 4.285 289 HB THR 39 HB THR 39 8.031 -10.265 1.333 290 HG1 THR 39 HG1 THR 39 8.844 -8.260 2.284 291 HG21 THR 39 3HG2 THR 39 6.211 -8.969 3.421 292 HG22 THR 39 1HG2 THR 39 6.506 -8.359 1.758 293 HG23 THR 39 2HG2 THR 39 5.679 -9.934 2.003 294 H ALA 40 H ALA 40 5.555 -11.898 4.488 295 HA ALA 40 HA ALA 40 4.454 -13.198 2.091 296 HB1 ALA 40 3HB ALA 40 4.461 -14.316 4.939 297 HB2 ALA 40 1HB ALA 40 3.565 -15.008 3.544 298 HB3 ALA 40 2HB ALA 40 5.361 -14.979 3.534 299 H ALA 41 H ALA 41 2.170 -13.024 1.862 300 HA ALA 41 HA ALA 41 0.733 -11.622 3.977 301 HB1 ALA 41 3HB ALA 41 1.027 -10.570 1.122 302 HB2 ALA 41 1HB ALA 41 -0.096 -9.925 2.367 303 HB3 ALA 41 2HB ALA 41 1.680 -9.807 2.611 304 H THR 42 H THR 42 -1.506 -12.091 3.984 305 HA THR 42 HA THR 42 -2.477 -13.492 1.590 306 HB THR 42 HB THR 42 -3.324 -13.892 4.507 307 HG1 THR 42 HG1 THR 42 -2.482 -16.060 4.080 308 HG21 THR 42 3HG2 THR 42 -4.322 -15.208 1.933 309 HG22 THR 42 1HG2 THR 42 -4.798 -15.667 3.603 310 HG23 THR 42 2HG2 THR 42 -5.237 -14.050 2.955 311 H VAL 43 H VAL 43 -4.398 -12.673 0.666 312 HA VAL 43 HA VAL 43 -5.557 -10.377 2.073 313 HB VAL 43 HB VAL 43 -3.864 -9.547 0.458 314 HG11 VAL 43 1HG1 VAL 43 -4.194 -9.894 -1.969 315 HG12 VAL 43 2HG1 VAL 43 -3.885 -11.440 -1.108 316 HG13 VAL 43 3HG1 VAL 43 -5.553 -11.015 -1.619 317 HG21 VAL 43 3HG2 VAL 43 -5.887 -8.214 0.875 318 HG22 VAL 43 1HG2 VAL 43 -5.346 -8.038 -0.828 319 HG23 VAL 43 2HG2 VAL 43 -6.749 -9.088 -0.435 320 H ASP 44 H ASP 44 -7.817 -10.430 2.051 321 HA ASP 44 HA ASP 44 -9.086 -11.918 -0.143 322 HB2 ASP 44 2HB ASP 44 -9.801 -12.383 2.208 323 HB3 ASP 44 3HB ASP 44 -10.241 -10.681 2.405 324 H LEU 45 H LEU 45 -9.416 -10.701 -1.976 325 HA LEU 45 HA LEU 45 -9.267 -7.829 -1.738 326 HB2 LEU 45 2HB LEU 45 -9.614 -9.733 -4.105 327 HB3 LEU 45 3HB LEU 45 -9.440 -7.979 -4.254 328 HG LEU 45 HG LEU 45 -7.338 -9.839 -3.022 329 HD11 LEU 45 1HD1 LEU 45 -6.076 -9.411 -5.097 330 HD12 LEU 45 2HD1 LEU 45 -7.635 -10.238 -5.432 331 HD13 LEU 45 3HD1 LEU 45 -7.465 -8.479 -5.752 332 HD21 LEU 45 3HD2 LEU 45 -7.314 -7.543 -2.114 333 HD22 LEU 45 1HD2 LEU 45 -5.892 -7.838 -3.171 334 HD23 LEU 45 2HD2 LEU 45 -7.282 -6.878 -3.782 335 H ARG 46 H ARG 46 -11.264 -7.392 -0.510 336 HA ARG 46 HA ARG 46 -13.385 -6.781 -2.297 337 HB2 ARG 46 2HB ARG 46 -15.154 -8.064 -1.343 338 HB3 ARG 46 3HB ARG 46 -13.907 -9.144 -1.979 339 HG2 ARG 46 2HG ARG 46 -13.036 -9.493 0.322 340 HG3 ARG 46 3HG ARG 46 -14.287 -8.416 0.958 341 HD2 ARG 46 2HD ARG 46 -16.028 -9.917 0.231 342 HD3 ARG 46 3HD ARG 46 -14.850 -10.954 -0.585 343 HE ARG 46 HE ARG 46 -14.238 -11.869 1.463 344 HH11 ARG 46 1HH1 ARG 46 -16.353 -9.117 2.021 345 HH12 ARG 46 2HH1 ARG 46 -16.644 -9.532 3.678 346 HH21 ARG 46 1HH2 ARG 46 -14.610 -12.380 3.589 347 HH22 ARG 46 2HH2 ARG 46 -15.644 -11.404 4.579 348 H GLU 47 H GLU 47 -15.063 -5.415 -1.229 349 HA GLU 47 HA GLU 47 -14.182 -3.909 0.972 350 HB2 GLU 47 2HB GLU 47 -15.886 -3.216 -0.736 351 HB3 GLU 47 3HB GLU 47 -17.015 -4.402 -0.068 352 HG2 GLU 47 2HG GLU 47 -17.026 -3.208 2.101 353 HG3 GLU 47 3HG GLU 47 -15.835 -2.051 1.493 354 H GLY 48 H GLY 48 -14.199 -4.314 3.161 355 HA2 GLY 48 2HA GLY 48 -15.007 -5.196 5.123 356 HA3 GLY 48 3HA GLY 48 -16.111 -6.241 4.220 357 H GLY 49 H GLY 49 -13.238 -6.667 2.563 358 HA2 GLY 49 2HA GLY 49 -12.935 -9.274 3.685 359 HA3 GLY 49 3HA GLY 49 -11.991 -8.534 2.386 360 H ALA 50 H ALA 50 -10.851 -10.189 4.485 361 HA ALA 50 HA ALA 50 -9.541 -8.240 6.242 362 HB1 ALA 50 3HB ALA 50 -9.583 -11.297 6.217 363 HB2 ALA 50 1HB ALA 50 -8.758 -10.270 7.437 364 HB3 ALA 50 2HB ALA 50 -10.547 -10.228 7.290 365 H PHE 51 H PHE 51 -7.254 -7.982 6.312 366 HA PHE 51 HA PHE 51 -5.740 -9.581 4.359 367 HB2 PHE 51 2HB PHE 51 -6.054 -7.414 3.317 368 HB3 PHE 51 3HB PHE 51 -5.652 -6.564 4.815 369 HD1 PHE 51 HD1 PHE 51 -4.171 -8.988 2.349 370 HD2 PHE 51 HD2 PHE 51 -3.469 -5.823 5.166 371 HE1 PHE 51 HE1 PHE 51 -1.795 -8.909 1.667 372 HE2 PHE 51 HE2 PHE 51 -1.093 -5.741 4.481 373 HZ PHE 51 HZ PHE 51 -0.250 -7.286 2.730 374 H SER 52 H SER 52 -3.637 -10.191 5.041 375 HA SER 52 HA SER 52 -2.767 -9.180 7.656 376 HB2 SER 52 2HB SER 52 -4.027 -11.245 8.104 377 HB3 SER 52 3HB SER 52 -3.094 -12.113 6.877 378 HG SER 52 HG SER 52 -2.298 -12.478 9.019 379 H SER 53 H SER 53 -0.593 -8.726 7.684 380 HA SER 53 HA SER 53 1.025 -9.943 5.531 381 HB2 SER 53 2HB SER 53 0.583 -7.584 5.044 382 HB3 SER 53 3HB SER 53 1.082 -7.115 6.675 383 HG SER 53 HG SER 53 2.760 -6.805 5.111 384 H ARG 54 H ARG 54 2.676 -11.190 6.287 385 HA ARG 54 HA ARG 54 3.579 -10.629 9.034 386 HB2 ARG 54 2HB ARG 54 2.404 -12.767 8.813 387 HB3 ARG 54 3HB ARG 54 3.539 -13.273 7.556 388 HG2 ARG 54 2HG ARG 54 5.411 -13.096 9.199 389 HG3 ARG 54 3HG ARG 54 4.250 -12.638 10.453 390 HD2 ARG 54 2HD ARG 54 3.163 -14.764 10.333 391 HD3 ARG 54 3HD ARG 54 4.095 -15.225 8.903 392 HE ARG 54 HE ARG 54 5.924 -15.722 10.255 393 HH11 ARG 54 1HH1 ARG 54 3.454 -14.139 12.191 394 HH12 ARG 54 2HH1 ARG 54 4.183 -14.592 13.696 395 HH21 ARG 54 1HH2 ARG 54 6.851 -16.283 12.190 396 HH22 ARG 54 2HH2 ARG 54 6.132 -15.821 13.697 397 H MET 55 H MET 55 5.627 -9.838 9.213 398 HA MET 55 HA MET 55 7.473 -10.420 6.982 399 HB2 MET 55 2HB MET 55 7.369 -8.130 9.001 400 HB3 MET 55 3HB MET 55 8.691 -8.391 7.856 401 HG2 MET 55 2HG MET 55 6.956 -8.231 5.980 402 HG3 MET 55 3HG MET 55 5.788 -7.719 7.205 403 HE1 MET 55 3HE MET 55 7.509 -5.706 9.186 404 HE2 MET 55 1HE MET 55 6.928 -4.246 8.316 405 HE3 MET 55 2HE MET 55 5.836 -5.655 8.536 406 H GLU 56 H GLU 56 9.396 -11.491 7.398 407 HA GLU 56 HA GLU 56 10.123 -11.819 10.232 408 HB2 GLU 56 2HB GLU 56 9.953 -13.949 8.050 409 HB3 GLU 56 3HB GLU 56 10.884 -14.166 9.538 410 HG2 GLU 56 2HG GLU 56 8.776 -13.802 10.870 411 HG3 GLU 56 3HG GLU 56 7.869 -13.685 9.356 412 H ALA 57 H ALA 57 12.393 -11.778 10.655 413 HA ALA 57 HA ALA 57 14.136 -11.303 8.368 414 HB1 ALA 57 3HB ALA 57 14.653 -11.473 11.377 415 HB2 ALA 57 1HB ALA 57 15.863 -11.020 10.129 416 HB3 ALA 57 2HB ALA 57 14.434 -9.971 10.417 417 H LYS 58 H LYS 58 15.538 -12.801 7.477 418 HA LYS 58 HA LYS 58 15.002 -15.527 7.951 419 HB2 LYS 58 2HB LYS 58 17.182 -14.020 6.444 420 HB3 LYS 58 3HB LYS 58 17.116 -15.786 6.497 421 HG2 LYS 58 2HG LYS 58 14.782 -15.674 5.518 422 HG3 LYS 58 3HG LYS 58 14.973 -13.923 5.362 423 HD2 LYS 58 2HD LYS 58 16.987 -14.268 3.917 424 HD3 LYS 58 3HD LYS 58 16.804 -16.020 4.078 425 HE2 LYS 58 2HE LYS 58 14.545 -15.890 3.022 426 HE3 LYS 58 3HE LYS 58 14.705 -14.134 2.881 427 HZ1 LYS 58 3HZ LYS 58 16.384 -16.153 1.542 428 HZ2 LYS 58 1HZ LYS 58 15.310 -15.144 0.839 429 HZ3 LYS 58 2HZ LYS 58 16.681 -14.548 1.494 430 H ASP 59 H ASP 59 17.244 -13.229 9.468 431 HA ASP 59 HA ASP 59 18.880 -15.361 10.563 432 HB2 ASP 59 2HB ASP 59 20.092 -13.551 11.641 433 HB3 ASP 59 3HB ASP 59 19.852 -13.167 9.931 434 H GLY 60 H GLY 60 15.746 -14.200 11.216 435 HA2 GLY 60 2HA GLY 60 14.371 -14.916 12.847 436 HA3 GLY 60 3HA GLY 60 15.710 -15.835 13.546 437 H SER 61 H SER 61 16.283 -12.376 13.023 438 HA SER 61 HA SER 61 16.702 -12.131 15.872 439 HB2 SER 61 2HB SER 61 17.700 -10.001 15.280 440 HB3 SER 61 3HB SER 61 18.300 -11.253 14.185 441 HG SER 61 HG SER 61 17.081 -10.462 12.530 442 H MET 62 H MET 62 14.159 -11.330 13.539 443 HA MET 62 HA MET 62 12.533 -10.195 15.603 444 HB2 MET 62 2HB MET 62 12.293 -7.971 14.560 445 HB3 MET 62 3HB MET 62 13.932 -8.238 15.169 446 HG2 MET 62 2HG MET 62 14.299 -7.222 13.094 447 HG3 MET 62 3HG MET 62 14.533 -8.939 12.740 448 HE1 MET 62 3HE MET 62 14.388 -7.631 10.341 449 HE2 MET 62 1HE MET 62 12.827 -7.282 9.524 450 HE3 MET 62 2HE MET 62 13.470 -6.145 10.757 451 H GLY 63 H GLY 63 10.289 -9.794 14.815 452 HA2 GLY 63 2HA GLY 63 9.870 -9.900 11.964 453 HA3 GLY 63 3HA GLY 63 9.222 -11.300 12.828 454 H PHE 64 H PHE 64 7.537 -9.455 11.407 455 HA PHE 64 HA PHE 64 6.149 -8.160 13.663 456 HB2 PHE 64 2HB PHE 64 6.566 -7.036 10.850 457 HB3 PHE 64 3HB PHE 64 5.579 -6.301 12.120 458 HD1 PHE 64 HD1 PHE 64 6.653 -5.337 14.145 459 HD2 PHE 64 HD2 PHE 64 8.971 -6.864 10.867 460 HE1 PHE 64 HE1 PHE 64 8.641 -4.123 14.984 461 HE2 PHE 64 HE2 PHE 64 10.960 -5.659 11.714 462 HZ PHE 64 HZ PHE 64 10.799 -4.287 13.771 463 H ASP 65 H ASP 65 3.848 -8.204 13.560 464 HA ASP 65 HA ASP 65 2.738 -9.667 11.252 465 HB2 ASP 65 2HB ASP 65 2.949 -11.167 13.229 466 HB3 ASP 65 3HB ASP 65 2.034 -10.013 14.208 467 H PHE 66 H PHE 66 1.341 -8.335 10.180 468 HA PHE 66 HA PHE 66 -0.204 -6.436 11.834 469 HB2 PHE 66 2HB PHE 66 0.829 -6.214 8.965 470 HB3 PHE 66 3HB PHE 66 -0.333 -5.093 9.686 471 HD1 PHE 66 HD1 PHE 66 0.353 -3.557 11.496 472 HD2 PHE 66 HD2 PHE 66 3.174 -6.180 9.591 473 HE1 PHE 66 HE1 PHE 66 2.219 -2.224 12.423 474 HE2 PHE 66 HE2 PHE 66 5.039 -4.847 10.522 475 HZ PHE 66 HZ PHE 66 4.568 -2.867 11.939 476 H ALA 67 H ALA 67 -2.442 -6.466 11.647 477 HA ALA 67 HA ALA 67 -3.590 -7.934 9.389 478 HB1 ALA 67 3HB ALA 67 -4.207 -8.473 12.335 479 HB2 ALA 67 1HB ALA 67 -5.106 -9.149 10.936 480 HB3 ALA 67 2HB ALA 67 -3.386 -9.593 11.197 481 H GLY 68 H GLY 68 -5.694 -7.210 8.780 482 HA2 GLY 68 2HA GLY 68 -7.156 -5.429 10.484 483 HA3 GLY 68 3HA GLY 68 -6.308 -4.568 9.193 484 H THR 69 H THR 69 -8.954 -4.258 8.992 485 HA THR 69 HA THR 69 -9.692 -6.165 6.887 486 HB THR 69 HB THR 69 -12.066 -5.913 7.591 487 HG1 THR 69 HG1 THR 69 -12.461 -4.922 9.699 488 HG21 THR 69 3HG2 THR 69 -10.202 -6.821 9.840 489 HG22 THR 69 1HG2 THR 69 -11.934 -7.261 9.667 490 HG23 THR 69 2HG2 THR 69 -10.741 -7.814 8.444 491 H TYR 70 H TYR 70 -11.086 -5.238 5.165 492 HA TYR 70 HA TYR 70 -10.573 -2.439 4.711 493 HB2 TYR 70 2HB TYR 70 -12.118 -4.615 3.220 494 HB3 TYR 70 3HB TYR 70 -12.023 -2.943 2.652 495 HD1 TYR 70 HD1 TYR 70 -9.609 -1.952 2.328 496 HD2 TYR 70 HD2 TYR 70 -10.442 -6.156 2.622 497 HE1 TYR 70 HE1 TYR 70 -7.459 -2.455 1.212 498 HE2 TYR 70 HE2 TYR 70 -8.288 -6.661 1.511 499 HH TYR 70 HH TYR 70 -6.159 -4.017 0.331 500 H THR 71 H THR 71 -12.129 -0.738 4.604 501 HA THR 71 HA THR 71 -14.668 -1.410 5.919 502 HB THR 71 HB THR 71 -14.753 0.968 6.599 503 HG1 THR 71 HG1 THR 71 -13.082 2.388 6.067 504 HG21 THR 71 3HG2 THR 71 -12.086 -0.370 7.269 505 HG22 THR 71 1HG2 THR 71 -12.864 0.953 8.202 506 HG23 THR 71 2HG2 THR 71 -13.654 -0.656 8.097 507 H LYS 72 H LYS 72 -13.105 -0.045 3.022 508 HA LYS 72 HA LYS 72 -15.672 0.045 1.709 509 HB2 LYS 72 2HB LYS 72 -15.519 2.279 2.836 510 HB3 LYS 72 3HB LYS 72 -13.987 2.577 2.004 511 HG2 LYS 72 2HG LYS 72 -15.114 2.515 -0.185 512 HG3 LYS 72 3HG LYS 72 -16.647 2.079 0.581 513 HD2 LYS 72 2HD LYS 72 -16.594 4.241 1.872 514 HD3 LYS 72 3HD LYS 72 -15.091 4.679 1.050 515 HE2 LYS 72 2HE LYS 72 -16.245 4.586 -1.153 516 HE3 LYS 72 3HE LYS 72 -17.745 4.083 -0.363 517 HZ1 LYS 72 3HZ LYS 72 -16.362 6.650 0.090 518 HZ2 LYS 72 1HZ LYS 72 -17.718 6.438 -0.794 519 HZ3 LYS 72 2HZ LYS 72 -17.747 6.187 0.819 520 H VAL 73 H VAL 73 -15.388 -0.642 -0.394 521 HA VAL 73 HA VAL 73 -12.893 0.151 -1.688 522 HB VAL 73 HB VAL 73 -14.105 -2.659 -1.778 523 HG11 VAL 73 1HG1 VAL 73 -12.182 -3.204 -3.238 524 HG12 VAL 73 2HG1 VAL 73 -13.247 -1.959 -3.972 525 HG13 VAL 73 3HG1 VAL 73 -11.687 -1.478 -3.223 526 HG21 VAL 73 3HG2 VAL 73 -12.837 -2.229 0.283 527 HG22 VAL 73 1HG2 VAL 73 -11.946 -3.360 -0.790 528 HG23 VAL 73 2HG2 VAL 73 -11.442 -1.640 -0.682 529 H VAL 74 H VAL 74 -13.302 1.092 -3.679 530 HA VAL 74 HA VAL 74 -15.911 0.501 -4.883 531 HB VAL 74 HB VAL 74 -14.652 3.264 -4.477 532 HG11 VAL 74 1HG1 VAL 74 -16.700 4.125 -5.567 533 HG12 VAL 74 2HG1 VAL 74 -15.745 3.078 -6.671 534 HG13 VAL 74 3HG1 VAL 74 -17.231 2.440 -5.890 535 HG21 VAL 74 3HG2 VAL 74 -15.713 2.373 -2.445 536 HG22 VAL 74 1HG2 VAL 74 -16.682 3.718 -3.134 537 HG23 VAL 74 2HG2 VAL 74 -17.212 2.018 -3.369 538 H GLU 75 H GLU 75 -15.553 -0.284 -6.944 539 HA GLU 75 HA GLU 75 -14.674 -0.516 -8.979 540 HB2 GLU 75 2HB GLU 75 -14.368 2.506 -8.635 541 HB3 GLU 75 3HB GLU 75 -14.253 1.650 -10.179 542 HG2 GLU 75 2HG GLU 75 -16.611 0.864 -9.912 543 HG3 GLU 75 3HG GLU 75 -16.724 1.735 -8.377 544 H ASN 76 H ASN 76 -12.730 -0.946 -6.794 545 HA ASN 76 HA ASN 76 -10.555 -1.095 -6.411 546 HB2 ASN 76 2HB ASN 76 -10.378 -1.102 -9.448 547 HB3 ASN 76 3HB ASN 76 -9.144 -1.691 -8.326 548 HD21 ASN 76 1HD2 ASN 76 -11.625 -2.574 -10.288 549 HD22 ASN 76 2HD2 ASN 76 -11.934 -4.152 -9.645 550 H LYS 77 H LYS 77 -11.420 1.633 -6.230 551 HA LYS 77 HA LYS 77 -9.249 3.110 -7.521 552 HB2 LYS 77 2HB LYS 77 -11.169 3.082 -9.109 553 HB3 LYS 77 3HB LYS 77 -12.227 3.719 -7.843 554 HG2 LYS 77 2HG LYS 77 -10.853 5.798 -7.737 555 HG3 LYS 77 3HG LYS 77 -9.789 5.162 -8.999 556 HD2 LYS 77 2HD LYS 77 -11.786 4.987 -10.541 557 HD3 LYS 77 3HD LYS 77 -12.789 5.722 -9.284 558 HE2 LYS 77 2HE LYS 77 -11.312 7.748 -9.299 559 HE3 LYS 77 3HE LYS 77 -10.323 7.013 -10.568 560 HZ1 LYS 77 3HZ LYS 77 -13.189 7.673 -10.811 561 HZ2 LYS 77 1HZ LYS 77 -11.954 8.512 -11.474 562 HZ3 LYS 77 2HZ LYS 77 -12.276 6.995 -11.983 563 H ARG 78 H ARG 78 -11.951 2.909 -5.132 564 HA ARG 78 HA ARG 78 -10.333 4.755 -3.515 565 HB2 ARG 78 2HB ARG 78 -13.355 4.659 -3.679 566 HB3 ARG 78 3HB ARG 78 -12.442 5.496 -2.416 567 HG2 ARG 78 2HG ARG 78 -12.119 6.093 -5.385 568 HG3 ARG 78 3HG ARG 78 -13.295 6.916 -4.352 569 HD2 ARG 78 2HD ARG 78 -11.442 7.657 -2.888 570 HD3 ARG 78 3HD ARG 78 -10.292 6.892 -3.992 571 HE ARG 78 HE ARG 78 -11.756 9.385 -4.414 572 HH11 ARG 78 1HH1 ARG 78 -9.747 6.888 -5.854 573 HH12 ARG 78 2HH1 ARG 78 -9.294 7.871 -7.206 574 HH21 ARG 78 1HH2 ARG 78 -11.157 10.639 -6.145 575 HH22 ARG 78 2HH2 ARG 78 -10.103 10.026 -7.374 576 H ILE 79 H ILE 79 -9.450 3.641 -1.828 577 HA ILE 79 HA ILE 79 -11.047 1.426 -0.754 578 HB ILE 79 HB ILE 79 -8.051 1.458 -1.383 579 HG12 ILE 79 2HG1 ILE 79 -9.106 -0.812 -2.511 580 HG13 ILE 79 3HG1 ILE 79 -10.483 0.287 -2.663 581 HG21 ILE 79 1HG2 ILE 79 -8.021 -0.835 -0.461 582 HG22 ILE 79 2HG2 ILE 79 -8.469 0.380 0.783 583 HG23 ILE 79 3HG2 ILE 79 -9.736 -0.652 0.039 584 HD11 ILE 79 3HD1 ILE 79 -7.656 0.819 -3.684 585 HD12 ILE 79 1HD1 ILE 79 -9.078 0.345 -4.674 586 HD13 ILE 79 2HD1 ILE 79 -9.054 1.935 -3.839 587 H GLU 80 H GLU 80 -11.389 1.659 1.440 588 HA GLU 80 HA GLU 80 -9.291 3.086 2.950 589 HB2 GLU 80 2HB GLU 80 -11.540 4.193 2.907 590 HB3 GLU 80 3HB GLU 80 -12.258 2.729 3.593 591 HG2 GLU 80 2HG GLU 80 -10.837 2.995 5.632 592 HG3 GLU 80 3HG GLU 80 -10.136 4.467 4.947 593 H TYR 81 H TYR 81 -8.267 1.985 4.625 594 HA TYR 81 HA TYR 81 -9.266 -0.714 5.204 595 HB2 TYR 81 2HB TYR 81 -7.745 -1.009 3.327 596 HB3 TYR 81 3HB TYR 81 -6.531 0.038 4.073 597 HD1 TYR 81 HD1 TYR 81 -8.424 -3.153 4.728 598 HD2 TYR 81 HD2 TYR 81 -4.806 -0.922 5.327 599 HE1 TYR 81 HE1 TYR 81 -7.396 -5.122 5.821 600 HE2 TYR 81 HE2 TYR 81 -3.773 -2.888 6.419 601 HH TYR 81 HH TYR 81 -4.017 -4.987 7.062 602 H ALA 82 H ALA 82 -8.617 -1.538 7.255 603 HA ALA 82 HA ALA 82 -7.104 0.391 8.904 604 HB1 ALA 82 3HB ALA 82 -9.396 -1.480 9.680 605 HB2 ALA 82 1HB ALA 82 -8.459 -0.445 10.810 606 HB3 ALA 82 2HB ALA 82 -9.482 0.309 9.540 607 H PHE 83 H PHE 83 -5.465 -0.425 10.252 608 HA PHE 83 HA PHE 83 -5.220 -3.321 10.477 609 HB2 PHE 83 2HB PHE 83 -2.831 -3.237 9.810 610 HB3 PHE 83 3HB PHE 83 -3.923 -2.860 8.470 611 HD1 PHE 83 HD1 PHE 83 -4.125 -0.537 7.626 612 HD2 PHE 83 HD2 PHE 83 -1.312 -1.579 10.702 613 HE1 PHE 83 HE1 PHE 83 -2.905 1.579 7.228 614 HE2 PHE 83 HE2 PHE 83 -0.097 0.541 10.307 615 HZ PHE 83 HZ PHE 83 -0.889 2.123 8.570 616 H GLY 84 H GLY 84 -4.466 -3.917 12.509 617 HA2 GLY 84 2HA GLY 84 -3.831 -3.669 14.641 618 HA3 GLY 84 3HA GLY 84 -2.684 -2.453 14.062 619 H ASP 85 H ASP 85 -2.878 -0.542 15.193 620 HA ASP 85 HA ASP 85 -5.629 0.369 15.750 621 HB2 ASP 85 2HB ASP 85 -4.614 1.761 17.516 622 HB3 ASP 85 3HB ASP 85 -4.327 0.038 17.789 623 H ARG 86 H ARG 86 -3.942 0.599 13.172 624 HA ARG 86 HA ARG 86 -4.204 3.524 13.024 625 HB2 ARG 86 2HB ARG 86 -1.995 1.861 11.789 626 HB3 ARG 86 3HB ARG 86 -2.327 3.558 11.416 627 HG2 ARG 86 2HG ARG 86 -1.655 2.523 14.203 628 HG3 ARG 86 3HG ARG 86 -0.457 3.146 13.062 629 HD2 ARG 86 2HD ARG 86 -1.660 5.303 13.011 630 HD3 ARG 86 3HD ARG 86 -2.807 4.672 14.200 631 HE ARG 86 HE ARG 86 -0.035 5.494 14.680 632 HH11 ARG 86 1HH1 ARG 86 -2.941 4.003 15.979 633 HH12 ARG 86 2HH1 ARG 86 -2.437 4.187 17.625 634 HH21 ARG 86 1HH2 ARG 86 0.591 5.734 16.795 635 HH22 ARG 86 2HH2 ARG 86 -0.410 5.181 18.095 636 H THR 87 H THR 87 -4.538 4.296 10.696 637 HA THR 87 HA THR 87 -5.873 2.206 9.130 638 HB THR 87 HB THR 87 -7.666 3.819 8.562 639 HG1 THR 87 HG1 THR 87 -7.786 5.804 9.837 640 HG21 THR 87 3HG2 THR 87 -7.265 3.473 11.575 641 HG22 THR 87 1HG2 THR 87 -8.819 3.845 10.756 642 HG23 THR 87 2HG2 THR 87 -8.002 2.274 10.459 643 H ALA 88 H ALA 88 -6.064 2.765 6.771 644 HA ALA 88 HA ALA 88 -4.619 5.133 5.905 645 HB1 ALA 88 3HB ALA 88 -3.795 2.301 5.101 646 HB2 ALA 88 1HB ALA 88 -3.187 3.820 4.360 647 HB3 ALA 88 2HB ALA 88 -2.828 3.454 6.082 648 H LYS 89 H LYS 89 -5.053 5.667 3.629 649 HA LYS 89 HA LYS 89 -7.271 4.107 2.486 650 HB2 LYS 89 2HB LYS 89 -8.116 6.149 3.685 651 HB3 LYS 89 3HB LYS 89 -7.080 7.153 2.662 652 HG2 LYS 89 2HG LYS 89 -8.313 6.389 0.641 653 HG3 LYS 89 3HG LYS 89 -9.332 5.349 1.644 654 HD2 LYS 89 2HD LYS 89 -10.116 7.375 2.916 655 HD3 LYS 89 3HD LYS 89 -9.127 8.400 1.868 656 HE2 LYS 89 2HE LYS 89 -10.400 7.631 -0.125 657 HE3 LYS 89 3HE LYS 89 -11.361 6.545 0.888 658 HZ1 LYS 89 3HZ LYS 89 -11.296 9.485 1.132 659 HZ2 LYS 89 1HZ LYS 89 -12.503 8.607 0.471 660 HZ3 LYS 89 2HZ LYS 89 -12.182 8.483 2.067 661 H VAL 90 H VAL 90 -6.995 3.624 0.331 662 HA VAL 90 HA VAL 90 -4.786 5.029 -1.000 663 HB VAL 90 HB VAL 90 -5.992 2.264 -1.535 664 HG11 VAL 90 1HG1 VAL 90 -4.105 1.991 -3.114 665 HG12 VAL 90 2HG1 VAL 90 -5.191 3.338 -3.596 666 HG13 VAL 90 3HG1 VAL 90 -3.613 3.692 -2.814 667 HG21 VAL 90 3HG2 VAL 90 -4.674 2.341 0.537 668 HG22 VAL 90 1HG2 VAL 90 -3.809 1.416 -0.736 669 HG23 VAL 90 2HG2 VAL 90 -3.305 3.096 -0.346 670 H GLU 91 H GLU 91 -5.239 6.253 -2.821 671 HA GLU 91 HA GLU 91 -7.885 5.828 -4.058 672 HB2 GLU 91 2HB GLU 91 -6.417 8.464 -3.566 673 HB3 GLU 91 3HB GLU 91 -7.929 8.283 -4.466 674 HG2 GLU 91 2HG GLU 91 -9.038 7.410 -2.391 675 HG3 GLU 91 3HG GLU 91 -7.530 7.652 -1.500 676 H PHE 92 H PHE 92 -7.978 5.984 -6.346 677 HA PHE 92 HA PHE 92 -5.335 6.223 -7.641 678 HB2 PHE 92 2HB PHE 92 -7.753 4.478 -8.302 679 HB3 PHE 92 3HB PHE 92 -6.406 4.738 -9.417 680 HD1 PHE 92 HD1 PHE 92 -4.164 3.834 -8.917 681 HD2 PHE 92 HD2 PHE 92 -7.510 3.087 -6.329 682 HE1 PHE 92 HE1 PHE 92 -2.918 1.988 -7.840 683 HE2 PHE 92 HE2 PHE 92 -6.259 1.243 -5.247 684 HZ PHE 92 HZ PHE 92 -3.962 0.692 -5.997 685 H LEU 93 H LEU 93 -5.121 7.827 -9.165 686 HA LEU 93 HA LEU 93 -7.628 8.906 -10.300 687 HB2 LEU 93 2HB LEU 93 -6.463 10.572 -8.954 688 HB3 LEU 93 3HB LEU 93 -4.922 10.207 -9.741 689 HG LEU 93 HG LEU 93 -5.892 11.051 -11.926 690 HD11 LEU 93 1HD1 LEU 93 -7.956 12.396 -11.823 691 HD12 LEU 93 2HD1 LEU 93 -8.267 10.679 -11.400 692 HD13 LEU 93 3HD1 LEU 93 -8.183 11.921 -10.106 693 HD21 LEU 93 3HD2 LEU 93 -4.480 12.460 -10.470 694 HD22 LEU 93 1HD2 LEU 93 -5.756 13.435 -11.275 695 HD23 LEU 93 2HD2 LEU 93 -5.933 12.974 -9.548 696 H GLU 94 H GLU 94 -7.955 8.499 -12.444 697 HA GLU 94 HA GLU 94 -5.855 7.203 -13.929 698 HB2 GLU 94 2HB GLU 94 -8.259 6.540 -14.061 699 HB3 GLU 94 3HB GLU 94 -8.658 8.129 -14.726 700 HG2 GLU 94 2HG GLU 94 -7.208 7.663 -16.705 701 HG3 GLU 94 3HG GLU 94 -6.812 6.073 -16.040 702 H ALA 95 H ALA 95 -4.290 8.266 -15.069 703 HA ALA 95 HA ALA 95 -4.974 10.956 -16.074 704 HB1 ALA 95 3HB ALA 95 -2.272 9.701 -15.386 705 HB2 ALA 95 1HB ALA 95 -2.523 11.344 -16.067 706 HB3 ALA 95 2HB ALA 95 -3.143 10.946 -14.429 707 HA PRO 96 HA PRO 96 -4.376 9.513 -20.224 708 HB2 PRO 96 2HB PRO 96 -3.192 11.750 -21.373 709 HB3 PRO 96 3HB PRO 96 -4.903 11.752 -20.927 710 HG2 PRO 96 2HG PRO 96 -2.530 12.856 -19.387 711 HG3 PRO 96 3HG PRO 96 -4.104 13.604 -19.684 712 HD2 PRO 96 2HD PRO 96 -3.570 12.383 -17.312 713 HD3 PRO 96 3HD PRO 96 -5.189 12.310 -18.020 714 H GLN 97 H GLN 97 -1.582 10.595 -18.326 715 HA GLN 97 HA GLN 97 0.182 9.374 -20.321 716 HB2 GLN 97 2HB GLN 97 0.755 10.974 -17.776 717 HB3 GLN 97 3HB GLN 97 1.981 10.364 -18.895 718 HG2 GLN 97 2HG GLN 97 -0.184 12.419 -19.538 719 HG3 GLN 97 3HG GLN 97 1.532 12.755 -19.268 720 HE21 GLN 97 1HE2 GLN 97 -0.555 12.799 -21.645 721 HE22 GLN 97 2HE2 GLN 97 0.369 12.169 -22.968 722 H GLY 98 H GLY 98 -1.440 8.659 -17.283 723 HA2 GLY 98 2HA GLY 98 -0.397 6.079 -17.073 724 HA3 GLY 98 3HA GLY 98 0.601 7.133 -16.063 725 H VAL 99 H VAL 99 -0.320 5.699 -14.270 726 HA VAL 99 HA VAL 99 -2.936 6.770 -13.460 727 HB VAL 99 HB VAL 99 -1.537 4.173 -12.640 728 HG11 VAL 99 1HG1 VAL 99 -3.640 3.681 -11.430 729 HG12 VAL 99 2HG1 VAL 99 -2.826 5.147 -10.788 730 HG13 VAL 99 3HG1 VAL 99 -4.261 5.311 -11.856 731 HG21 VAL 99 3HG2 VAL 99 -2.446 4.094 -14.921 732 HG22 VAL 99 1HG2 VAL 99 -3.420 3.074 -13.809 733 HG23 VAL 99 2HG2 VAL 99 -4.034 4.681 -14.323 734 H THR 100 H THR 100 -2.985 8.064 -11.632 735 HA THR 100 HA THR 100 -0.470 8.309 -10.173 736 HB THR 100 HB THR 100 -2.994 10.043 -10.251 737 HG1 THR 100 HG1 THR 100 -0.269 10.566 -11.132 738 HG21 THR 100 3HG2 THR 100 -0.351 10.467 -8.769 739 HG22 THR 100 1HG2 THR 100 -1.691 11.657 -8.894 740 HG23 THR 100 2HG2 THR 100 -1.943 10.110 -8.017 741 H VAL 101 H VAL 101 -0.235 7.438 -8.128 742 HA VAL 101 HA VAL 101 -2.707 6.457 -6.881 743 HB VAL 101 HB VAL 101 0.179 5.483 -6.563 744 HG11 VAL 101 1HG1 VAL 101 -0.843 3.602 -5.319 745 HG12 VAL 101 2HG1 VAL 101 -1.157 5.179 -4.520 746 HG13 VAL 101 3HG1 VAL 101 -2.454 4.382 -5.473 747 HG21 VAL 101 3HG2 VAL 101 -0.741 4.950 -8.778 748 HG22 VAL 101 1HG2 VAL 101 -0.603 3.470 -7.770 749 HG23 VAL 101 2HG2 VAL 101 -2.205 4.244 -8.015 750 H ARG 102 H ARG 102 -3.327 7.444 -4.983 751 HA ARG 102 HA ARG 102 -1.206 8.830 -3.479 752 HB2 ARG 102 2HB ARG 102 -2.750 10.394 -4.562 753 HB3 ARG 102 3HB ARG 102 -4.120 9.615 -3.758 754 HG2 ARG 102 2HG ARG 102 -3.286 10.283 -1.564 755 HG3 ARG 102 3HG ARG 102 -1.800 10.924 -2.277 756 HD2 ARG 102 2HD ARG 102 -3.195 12.755 -1.784 757 HD3 ARG 102 3HD ARG 102 -3.164 12.568 -3.542 758 HE ARG 102 HE ARG 102 -5.419 11.182 -2.536 759 HH11 ARG 102 1HH1 ARG 102 -4.255 14.484 -2.830 760 HH12 ARG 102 2HH1 ARG 102 -5.846 15.155 -2.968 761 HH21 ARG 102 1HH2 ARG 102 -7.451 12.054 -2.701 762 HH22 ARG 102 2HH2 ARG 102 -7.683 13.760 -2.893 763 H VAL 103 H VAL 103 -0.844 8.094 -1.426 764 HA VAL 103 HA VAL 103 -3.020 6.531 -0.216 765 HB VAL 103 HB VAL 103 -0.001 6.049 -0.016 766 HG11 VAL 103 1HG1 VAL 103 -0.635 4.036 1.277 767 HG12 VAL 103 2HG1 VAL 103 -1.166 5.547 2.090 768 HG13 VAL 103 3HG1 VAL 103 -2.358 4.537 1.204 769 HG21 VAL 103 3HG2 VAL 103 -0.929 5.353 -2.183 770 HG22 VAL 103 1HG2 VAL 103 -0.499 3.924 -1.183 771 HG23 VAL 103 2HG2 VAL 103 -2.217 4.422 -1.346 772 H SER 104 H SER 104 -3.721 7.353 1.735 773 HA SER 104 HA SER 104 -1.817 9.063 3.215 774 HB2 SER 104 2HB SER 104 -3.631 10.364 2.134 775 HB3 SER 104 3HB SER 104 -4.842 9.339 2.914 776 HG SER 104 HG SER 104 -3.187 11.355 3.996 777 H PHE 105 H PHE 105 -1.543 8.607 5.398 778 HA PHE 105 HA PHE 105 -3.270 6.536 6.544 779 HB2 PHE 105 2HB PHE 105 -1.367 5.155 7.145 780 HB3 PHE 105 3HB PHE 105 -1.388 5.379 5.391 781 HD1 PHE 105 HD1 PHE 105 0.233 6.970 4.317 782 HD2 PHE 105 HD2 PHE 105 0.458 5.937 8.482 783 HE1 PHE 105 HE1 PHE 105 2.565 7.796 4.397 784 HE2 PHE 105 HE2 PHE 105 2.790 6.762 8.559 785 HZ PHE 105 HZ PHE 105 3.849 7.690 6.518 786 H VAL 106 H VAL 106 -2.901 6.279 8.937 787 HA VAL 106 HA VAL 106 -2.321 8.831 10.122 788 HB VAL 106 HB VAL 106 -3.064 6.120 11.336 789 HG11 VAL 106 1HG1 VAL 106 -3.576 7.405 13.386 790 HG12 VAL 106 2HG1 VAL 106 -1.838 7.513 12.945 791 HG13 VAL 106 3HG1 VAL 106 -2.937 8.892 12.608 792 HG21 VAL 106 3HG2 VAL 106 -4.824 7.068 9.907 793 HG22 VAL 106 1HG2 VAL 106 -5.294 7.150 11.639 794 HG23 VAL 106 2HG2 VAL 106 -4.721 8.627 10.793 795 H ALA 107 H ALA 107 -0.417 9.449 11.137 796 HA ALA 107 HA ALA 107 1.856 7.754 10.771 797 HB1 ALA 107 3HB ALA 107 1.487 10.424 12.215 798 HB2 ALA 107 1HB ALA 107 3.061 9.654 11.819 799 HB3 ALA 107 2HB ALA 107 1.970 10.198 10.500 800 H GLU 108 H GLU 108 3.161 6.712 12.343 801 HA GLU 108 HA GLU 108 1.788 5.949 14.745 802 HB2 GLU 108 2HB GLU 108 3.331 4.503 13.297 803 HB3 GLU 108 3HB GLU 108 4.687 5.444 13.933 804 HG2 GLU 108 2HG GLU 108 4.596 3.480 15.271 805 HG3 GLU 108 3HG GLU 108 3.922 4.764 16.283 806 H THR 109 H THR 109 1.923 6.882 16.753 807 HA THR 109 HA THR 109 3.266 9.335 17.013 808 HB THR 109 HB THR 109 2.552 9.203 19.391 809 HG1 THR 109 HG1 THR 109 1.380 7.261 20.056 810 HG21 THR 109 3HG2 THR 109 0.439 8.202 17.419 811 HG22 THR 109 1HG2 THR 109 0.114 8.998 18.996 812 HG23 THR 109 2HG2 THR 109 0.922 9.912 17.679 813 H GLU 110 H GLU 110 4.297 5.989 17.503 814 HA GLU 110 HA GLU 110 6.309 6.558 19.444 815 HB2 GLU 110 2HB GLU 110 5.848 4.251 17.499 816 HB3 GLU 110 3HB GLU 110 7.154 4.280 18.691 817 HG2 GLU 110 2HG GLU 110 5.514 4.382 20.535 818 HG3 GLU 110 3HG GLU 110 4.180 4.460 19.377 819 H TYR 111 H TYR 111 6.027 7.245 16.045 820 HA TYR 111 HA TYR 111 8.948 7.630 15.937 821 HB2 TYR 111 2HB TYR 111 7.092 6.613 13.729 822 HB3 TYR 111 3HB TYR 111 8.783 7.077 13.494 823 HD1 TYR 111 HD1 TYR 111 6.506 4.542 14.916 824 HD2 TYR 111 HD2 TYR 111 10.607 5.669 14.343 825 HE1 TYR 111 HE1 TYR 111 7.214 2.248 15.519 826 HE2 TYR 111 HE2 TYR 111 11.323 3.378 14.944 827 HH TYR 111 HH TYR 111 10.703 1.347 15.548 828 HA PRO 112 HA PRO 112 7.927 11.766 14.639 829 HB2 PRO 112 2HB PRO 112 10.162 12.298 13.076 830 HB3 PRO 112 3HB PRO 112 10.274 12.239 14.840 831 HG2 PRO 112 2HG PRO 112 10.944 10.077 12.813 832 HG3 PRO 112 3HG PRO 112 11.872 10.598 14.226 833 HD2 PRO 112 2HD PRO 112 10.316 8.367 14.327 834 HD3 PRO 112 3HD PRO 112 10.490 9.412 15.744 835 H VAL 113 H VAL 113 7.046 12.964 12.958 836 HA VAL 113 HA VAL 113 5.697 11.436 11.100 837 HB VAL 113 HB VAL 113 5.175 13.632 10.002 838 HG11 VAL 113 1HG1 VAL 113 4.060 14.652 11.963 839 HG12 VAL 113 2HG1 VAL 113 3.878 12.865 11.944 840 HG13 VAL 113 3HG1 VAL 113 5.061 13.636 13.054 841 HG21 VAL 113 3HG2 VAL 113 7.367 14.708 10.276 842 HG22 VAL 113 1HG2 VAL 113 6.067 15.712 11.003 843 HG23 VAL 113 2HG2 VAL 113 7.144 14.736 12.058 844 H GLU 114 H GLU 114 8.932 12.986 10.914 845 HA GLU 114 HA GLU 114 9.205 12.890 8.115 846 HB2 GLU 114 2HB GLU 114 11.201 12.803 10.424 847 HB3 GLU 114 3HB GLU 114 11.692 12.865 8.726 848 HG2 GLU 114 2HG GLU 114 10.572 15.037 8.433 849 HG3 GLU 114 3HG GLU 114 9.926 14.965 10.078 850 H GLN 115 H GLN 115 9.849 10.450 10.724 851 HA GLN 115 HA GLN 115 11.185 8.629 9.034 852 HB2 GLN 115 2HB GLN 115 11.290 8.614 11.523 853 HB3 GLN 115 3HB GLN 115 9.573 8.196 11.601 854 HG2 GLN 115 2HG GLN 115 10.896 6.196 11.958 855 HG3 GLN 115 3HG GLN 115 10.042 6.055 10.416 856 HE21 GLN 115 1HE2 GLN 115 11.340 4.857 9.145 857 HE22 GLN 115 2HE2 GLN 115 13.012 5.173 8.825 858 H GLN 116 H GLN 116 7.688 9.106 9.890 859 HA GLN 116 HA GLN 116 6.855 6.690 8.644 860 HB2 GLN 116 2HB GLN 116 5.413 9.258 9.459 861 HB3 GLN 116 3HB GLN 116 4.581 7.857 8.773 862 HG2 GLN 116 2HG GLN 116 6.215 7.862 11.353 863 HG3 GLN 116 3HG GLN 116 4.451 7.929 11.251 864 HE21 GLN 116 1HE2 GLN 116 6.896 5.898 11.936 865 HE22 GLN 116 2HE2 GLN 116 6.228 4.385 11.423 866 H GLN 117 H GLN 117 7.056 10.166 7.574 867 HA GLN 117 HA GLN 117 5.743 9.763 5.124 868 HB2 GLN 117 2HB GLN 117 6.136 11.976 6.175 869 HB3 GLN 117 3HB GLN 117 7.882 11.784 5.968 870 HG2 GLN 117 2HG GLN 117 7.577 11.735 3.491 871 HG3 GLN 117 3HG GLN 117 5.834 11.941 3.705 872 HE21 GLN 117 1HE2 GLN 117 6.631 13.824 2.213 873 HE22 GLN 117 2HE2 GLN 117 6.956 15.323 3.018 874 H GLN 118 H GLN 118 9.302 9.756 5.983 875 HA GLN 118 HA GLN 118 10.111 9.285 3.309 876 HB2 GLN 118 2HB GLN 118 11.447 8.931 6.033 877 HB3 GLN 118 3HB GLN 118 12.281 8.583 4.512 878 HG2 GLN 118 2HG GLN 118 11.989 10.918 3.775 879 HG3 GLN 118 3HG GLN 118 11.054 11.287 5.230 880 HE21 GLN 118 1HE2 GLN 118 13.093 12.901 4.913 881 HE22 GLN 118 2HE2 GLN 118 14.436 12.514 5.937 882 H GLY 119 H GLY 119 9.279 7.121 6.098 883 HA2 GLY 119 2HA GLY 119 10.344 4.760 5.032 884 HA3 GLY 119 3HA GLY 119 9.026 4.899 6.203 885 H TRP 120 H TRP 120 7.000 6.218 4.709 886 HA TRP 120 HA TRP 120 6.062 4.088 3.081 887 HB2 TRP 120 2HB TRP 120 5.121 6.664 4.168 888 HB3 TRP 120 3HB TRP 120 4.563 6.410 2.509 889 HD1 TRP 120 HD1 TRP 120 2.439 4.932 2.239 890 HE1 TRP 120 HE1 TRP 120 1.104 3.335 3.776 891 HE3 TRP 120 HE3 TRP 120 5.606 4.865 6.284 892 HZ2 TRP 120 HZ2 TRP 120 1.347 2.196 6.337 893 HZ3 TRP 120 HZ3 TRP 120 4.985 3.490 8.255 894 HH2 TRP 120 HH2 TRP 120 2.885 2.169 8.277 895 H GLN 121 H GLN 121 7.720 7.227 2.423 896 HA GLN 121 HA GLN 121 7.200 7.255 -0.346 897 HB2 GLN 121 2HB GLN 121 7.993 9.199 1.009 898 HB3 GLN 121 3HB GLN 121 9.545 8.388 1.261 899 HG2 GLN 121 2HG GLN 121 9.805 10.029 -0.494 900 HG3 GLN 121 3HG GLN 121 9.944 8.417 -1.207 901 HE21 GLN 121 1HE2 GLN 121 9.026 8.359 -3.158 902 HE22 GLN 121 2HE2 GLN 121 7.539 9.118 -3.617 903 H ALA 122 H ALA 122 9.812 5.728 1.662 904 HA ALA 122 HA ALA 122 11.492 5.113 -0.515 905 HB1 ALA 122 3HB ALA 122 11.166 3.797 2.225 906 HB2 ALA 122 1HB ALA 122 12.545 3.553 1.101 907 HB3 ALA 122 2HB ALA 122 12.252 5.170 1.825 908 H ILE 123 H ILE 123 8.865 3.214 1.155 909 HA ILE 123 HA ILE 123 9.314 0.944 -0.497 910 HB ILE 123 HB ILE 123 7.197 0.117 0.492 911 HG12 ILE 123 2HG1 ILE 123 7.027 2.876 1.794 912 HG13 ILE 123 3HG1 ILE 123 6.012 2.323 0.455 913 HG21 ILE 123 1HG2 ILE 123 7.892 0.157 2.866 914 HG22 ILE 123 2HG2 ILE 123 9.285 -0.115 1.766 915 HG23 ILE 123 3HG2 ILE 123 9.028 1.501 2.507 916 HD11 ILE 123 3HD1 ILE 123 6.127 1.075 3.238 917 HD12 ILE 123 1HD1 ILE 123 4.829 2.137 2.596 918 HD13 ILE 123 2HD1 ILE 123 5.097 0.513 1.878 919 H LEU 124 H LEU 124 7.246 3.886 -0.676 920 HA LEU 124 HA LEU 124 5.620 2.980 -2.811 921 HB2 LEU 124 2HB LEU 124 5.246 4.969 -1.254 922 HB3 LEU 124 3HB LEU 124 6.512 5.824 -2.146 923 HG LEU 124 HG LEU 124 5.150 5.593 -4.253 924 HD11 LEU 124 1HD1 LEU 124 2.791 4.901 -4.057 925 HD12 LEU 124 2HD1 LEU 124 3.909 3.561 -3.632 926 HD13 LEU 124 3HD1 LEU 124 3.059 4.467 -2.335 927 HD21 LEU 124 3HD2 LEU 124 5.042 7.621 -2.849 928 HD22 LEU 124 1HD2 LEU 124 3.448 7.263 -3.594 929 HD23 LEU 124 2HD2 LEU 124 3.737 6.876 -1.865 930 H ASN 125 H ASN 125 8.910 4.465 -2.645 931 HA ASN 125 HA ASN 125 9.154 4.988 -5.386 932 HB2 ASN 125 2HB ASN 125 11.166 4.341 -3.208 933 HB3 ASN 125 3HB ASN 125 11.644 4.702 -4.873 934 HD21 ASN 125 1HD2 ASN 125 12.510 6.208 -2.772 935 HD22 ASN 125 2HD2 ASN 125 11.864 7.808 -2.931 936 H ASN 126 H ASN 126 9.785 1.987 -3.425 937 HA ASN 126 HA ASN 126 10.737 0.481 -5.612 938 HB2 ASN 126 2HB ASN 126 9.445 -0.255 -2.966 939 HB3 ASN 126 3HB ASN 126 9.967 -1.469 -4.142 940 HD21 ASN 126 1HD2 ASN 126 11.037 -1.603 -1.739 941 HD22 ASN 126 2HD2 ASN 126 12.707 -1.149 -1.787 942 H PHE 127 H PHE 127 7.416 1.119 -4.293 943 HA PHE 127 HA PHE 127 6.039 -0.671 -5.938 944 HB2 PHE 127 2HB PHE 127 4.983 0.447 -4.055 945 HB3 PHE 127 3HB PHE 127 5.300 2.042 -4.751 946 HD1 PHE 127 HD1 PHE 127 3.342 -1.098 -5.196 947 HD2 PHE 127 HD2 PHE 127 3.825 3.011 -6.352 948 HE1 PHE 127 HE1 PHE 127 1.146 -1.162 -6.342 949 HE2 PHE 127 HE2 PHE 127 1.631 2.948 -7.496 950 HZ PHE 127 HZ PHE 127 0.288 0.860 -7.493 951 H LYS 128 H LYS 128 7.042 2.790 -6.519 952 HA LYS 128 HA LYS 128 5.740 3.061 -8.972 953 HB2 LYS 128 2HB LYS 128 6.727 4.892 -7.564 954 HB3 LYS 128 3HB LYS 128 8.345 4.336 -8.012 955 HG2 LYS 128 2HG LYS 128 6.408 4.993 -10.234 956 HG3 LYS 128 3HG LYS 128 7.106 6.331 -9.312 957 HD2 LYS 128 2HD LYS 128 9.414 5.300 -9.744 958 HD3 LYS 128 3HD LYS 128 8.626 4.155 -10.838 959 HE2 LYS 128 2HE LYS 128 7.787 6.004 -12.242 960 HE3 LYS 128 3HE LYS 128 8.427 7.200 -11.108 961 HZ1 LYS 128 3HZ LYS 128 10.051 5.275 -12.646 962 HZ2 LYS 128 1HZ LYS 128 9.897 6.869 -12.967 963 HZ3 LYS 128 2HZ LYS 128 10.642 6.380 -11.598 964 H ARG 129 H ARG 129 9.147 1.973 -8.218 965 HA ARG 129 HA ARG 129 9.805 1.719 -10.966 966 HB2 ARG 129 2HB ARG 129 11.115 0.744 -8.424 967 HB3 ARG 129 3HB ARG 129 11.759 0.394 -10.033 968 HG2 ARG 129 2HG ARG 129 11.957 2.814 -10.499 969 HG3 ARG 129 3HG ARG 129 11.269 3.188 -8.913 970 HD2 ARG 129 2HD ARG 129 13.159 2.099 -7.817 971 HD3 ARG 129 3HD ARG 129 13.839 1.665 -9.390 972 HE ARG 129 HE ARG 129 13.497 4.462 -9.359 973 HH11 ARG 129 1HH1 ARG 129 15.388 2.047 -7.644 974 HH12 ARG 129 2HH1 ARG 129 16.718 3.122 -7.365 975 HH21 ARG 129 1HH2 ARG 129 15.202 5.830 -8.985 976 HH22 ARG 129 2HH2 ARG 129 16.612 5.294 -8.134 977 H HIS 130 H HIS 130 8.424 -0.505 -8.490 978 HA HIS 130 HA HIS 130 8.869 -2.872 -9.959 979 HB2 HIS 130 2HB HIS 130 8.371 -2.854 -7.550 980 HB3 HIS 130 3HB HIS 130 6.789 -2.122 -7.847 981 HD2 HIS 130 HD2 HIS 130 4.785 -3.976 -7.998 982 HE1 HIS 130 HE1 HIS 130 7.192 -7.373 -9.000 983 H VAL 131 H VAL 131 5.974 -0.646 -9.711 984 HA VAL 131 HA VAL 131 4.445 -2.149 -11.534 985 HB VAL 131 HB VAL 131 4.320 0.766 -10.620 986 HG11 VAL 131 1HG1 VAL 131 2.044 0.815 -11.593 987 HG12 VAL 131 2HG1 VAL 131 3.303 0.569 -12.850 988 HG13 VAL 131 3HG1 VAL 131 2.311 -0.819 -12.288 989 HG21 VAL 131 3HG2 VAL 131 3.894 -0.907 -8.872 990 HG22 VAL 131 1HG2 VAL 131 2.384 -0.035 -9.303 991 HG23 VAL 131 2HG2 VAL 131 2.664 -1.701 -9.913 992 H GLU 132 H GLU 132 6.743 0.637 -11.907 993 HA GLU 132 HA GLU 132 6.160 1.337 -14.512 994 HB2 GLU 132 2HB GLU 132 7.706 2.564 -13.039 995 HB3 GLU 132 3HB GLU 132 8.838 1.205 -13.045 996 HG2 GLU 132 2HG GLU 132 9.205 1.507 -15.488 997 HG3 GLU 132 3HG GLU 132 8.051 2.847 -15.504 998 H SER 133 H SER 133 7.958 -1.527 -13.265 999 HA SER 133 HA SER 133 9.193 -2.065 -15.799 1000 HB2 SER 133 2HB SER 133 10.049 -4.025 -14.687 1001 HB3 SER 133 3HB SER 133 10.166 -2.658 -13.571 1002 HG SER 133 HG SER 133 7.936 -3.478 -12.835 1003 H HIS 134 H HIS 134 5.969 -2.324 -14.785 1004 HA HIS 134 HA HIS 134 5.509 -4.918 -16.027 1005 HB2 HIS 134 2HB HIS 134 3.649 -2.899 -14.678 1006 HB3 HIS 134 3HB HIS 134 3.137 -4.464 -15.324 1007 HD2 HIS 134 HD2 HIS 134 6.288 -5.548 -13.829 1008 HE1 HIS 134 HE1 HIS 134 3.655 -5.316 -10.462 1009 H LEU 135 H LEU 135 5.956 -1.752 -17.148 1010 HA LEU 135 HA LEU 135 4.762 -2.511 -19.668 1011 HB2 LEU 135 2HB LEU 135 2.850 -1.447 -18.542 1012 HB3 LEU 135 3HB LEU 135 3.840 -0.048 -18.109 1013 HG LEU 135 HG LEU 135 4.131 0.445 -20.580 1014 HD11 LEU 135 1HD1 LEU 135 2.586 -0.658 -22.157 1015 HD12 LEU 135 2HD1 LEU 135 3.728 -1.833 -21.421 1016 HD13 LEU 135 3HD1 LEU 135 2.028 -1.753 -20.848 1017 HD21 LEU 135 3HD2 LEU 135 2.449 1.595 -19.185 1018 HD22 LEU 135 1HD2 LEU 135 1.837 1.333 -20.854 1019 HD23 LEU 135 2HD2 LEU 135 1.270 0.280 -19.514 1020 H GLU 136 H GLU 136 6.324 -2.071 -21.161 1021 HA GLU 136 HA GLU 136 8.359 -0.110 -20.525 1022 HB2 GLU 136 2HB GLU 136 7.886 -1.910 -22.950 1023 HB3 GLU 136 3HB GLU 136 9.293 -0.862 -22.731 1024 HG2 GLU 136 2HG GLU 136 9.900 -2.134 -20.658 1025 HG3 GLU 136 3HG GLU 136 8.512 -3.199 -20.919 1026 H HIS 137 H HIS 137 8.798 1.816 -21.748 1027 HA HIS 137 HA HIS 137 6.574 2.638 -23.500 1028 HB2 HIS 137 2HB HIS 137 6.442 3.751 -21.277 1029 HB3 HIS 137 3HB HIS 137 8.108 4.319 -21.454 1030 HD2 HIS 137 HD2 HIS 137 8.309 6.786 -22.636 1031 HE1 HIS 137 HE1 HIS 137 4.390 6.922 -24.354 1032 H HIS 138 H HIS 138 10.027 3.400 -22.523 1033 HA HIS 138 HA HIS 138 10.823 3.344 -25.277 1034 HB2 HIS 138 2HB HIS 138 9.785 5.602 -25.144 1035 HB3 HIS 138 3HB HIS 138 10.816 6.002 -23.763 1036 HD2 HIS 138 HD2 HIS 138 13.218 7.139 -24.461 1037 HE1 HIS 138 HE1 HIS 138 13.184 6.045 -28.600 Start of MODEL 10 1 H1 MET 1 1H MET 1 -1.605 14.533 14.080 2 H2 MET 1 2H MET 1 -2.721 13.755 13.177 3 H3 MET 1 3H MET 1 -1.457 12.931 13.802 4 HA MET 1 HA MET 1 -1.199 15.110 11.883 5 HB2 MET 1 2HB MET 1 0.736 12.973 12.895 6 HB3 MET 1 3HB MET 1 1.079 14.088 11.565 7 HG2 MET 1 2HG MET 1 0.495 14.898 14.455 8 HG3 MET 1 3HG MET 1 2.098 14.812 13.714 9 HE1 MET 1 3HE MET 1 1.778 15.965 10.829 10 HE2 MET 1 1HE MET 1 2.054 17.718 11.105 11 HE3 MET 1 2HE MET 1 3.050 16.505 11.977 12 H ASN 2 H ASN 2 -2.006 14.672 9.872 13 HA ASN 2 HA ASN 2 -2.159 11.857 9.074 14 HB2 ASN 2 2HB ASN 2 -3.359 14.380 7.873 15 HB3 ASN 2 3HB ASN 2 -3.498 12.765 7.165 16 HD21 ASN 2 1HD2 ASN 2 -5.012 14.998 9.010 17 HD22 ASN 2 2HD2 ASN 2 -6.164 13.974 9.799 18 H ILE 3 H ILE 3 -0.704 10.995 7.628 19 HA ILE 3 HA ILE 3 1.028 12.922 6.248 20 HB ILE 3 HB ILE 3 1.480 9.957 6.866 21 HG12 ILE 3 2HG1 ILE 3 1.514 11.335 8.898 22 HG13 ILE 3 3HG1 ILE 3 3.131 10.741 8.500 23 HG21 ILE 3 1HG2 ILE 3 3.794 10.401 6.117 24 HG22 ILE 3 2HG2 ILE 3 2.600 10.685 4.805 25 HG23 ILE 3 3HG2 ILE 3 3.325 12.078 5.676 26 HD11 ILE 3 3HD1 ILE 3 2.070 13.544 7.923 27 HD12 ILE 3 1HD1 ILE 3 3.205 13.081 9.236 28 HD13 ILE 3 2HD1 ILE 3 3.712 12.941 7.519 29 H THR 4 H THR 4 0.992 13.013 4.001 30 HA THR 4 HA THR 4 -0.576 10.907 2.678 31 HB THR 4 HB THR 4 -0.466 13.901 2.035 32 HG1 THR 4 HG1 THR 4 -2.750 13.755 2.633 33 HG21 THR 4 3HG2 THR 4 -2.027 11.622 0.724 34 HG22 THR 4 1HG2 THR 4 -2.187 13.369 0.336 35 HG23 THR 4 2HG2 THR 4 -0.643 12.513 0.004 36 H VAL 5 H VAL 5 0.340 9.990 0.812 37 HA VAL 5 HA VAL 5 2.607 11.450 -0.348 38 HB VAL 5 HB VAL 5 3.648 9.234 -0.873 39 HG11 VAL 5 1HG1 VAL 5 4.477 8.771 1.415 40 HG12 VAL 5 2HG1 VAL 5 4.400 10.533 1.075 41 HG13 VAL 5 3HG1 VAL 5 3.139 9.759 2.093 42 HG21 VAL 5 3HG2 VAL 5 1.625 7.843 -0.773 43 HG22 VAL 5 1HG2 VAL 5 2.882 7.224 0.351 44 HG23 VAL 5 2HG2 VAL 5 1.483 8.153 0.990 45 H GLU 6 H GLU 6 2.986 10.874 -2.704 46 HA GLU 6 HA GLU 6 0.691 9.690 -4.041 47 HB2 GLU 6 2HB GLU 6 0.039 12.064 -3.673 48 HB3 GLU 6 3HB GLU 6 1.536 12.601 -4.448 49 HG2 GLU 6 2HG GLU 6 0.818 11.543 -6.585 50 HG3 GLU 6 3HG GLU 6 -0.671 10.982 -5.814 51 H THR 7 H THR 7 1.230 8.850 -6.089 52 HA THR 7 HA THR 7 3.752 9.675 -7.254 53 HB THR 7 HB THR 7 4.273 7.755 -5.675 54 HG1 THR 7 HG1 THR 7 5.622 6.800 -7.201 55 HG21 THR 7 3HG2 THR 7 2.528 6.204 -7.651 56 HG22 THR 7 1HG2 THR 7 3.549 5.486 -6.359 57 HG23 THR 7 2HG2 THR 7 2.148 6.523 -5.925 58 H THR 8 H THR 8 3.746 9.467 -9.537 59 HA THR 8 HA THR 8 1.260 8.387 -10.640 60 HB THR 8 HB THR 8 3.377 10.255 -11.826 61 HG1 THR 8 HG1 THR 8 0.575 10.760 -11.255 62 HG21 THR 8 3HG2 THR 8 0.741 9.243 -13.003 63 HG22 THR 8 1HG2 THR 8 1.808 10.490 -13.732 64 HG23 THR 8 2HG2 THR 8 2.390 8.800 -13.560 65 H VAL 9 H VAL 9 1.293 6.483 -11.822 66 HA VAL 9 HA VAL 9 3.973 5.436 -12.425 67 HB VAL 9 HB VAL 9 1.399 3.947 -11.698 68 HG11 VAL 9 1HG1 VAL 9 2.820 1.918 -11.727 69 HG12 VAL 9 2HG1 VAL 9 2.742 2.703 -13.340 70 HG13 VAL 9 3HG1 VAL 9 4.203 2.902 -12.315 71 HG21 VAL 9 3HG2 VAL 9 2.449 5.052 -9.770 72 HG22 VAL 9 1HG2 VAL 9 2.651 3.270 -9.673 73 HG23 VAL 9 2HG2 VAL 9 4.028 4.303 -10.185 74 H ALA 10 H ALA 10 4.396 4.806 -14.547 75 HA ALA 10 HA ALA 10 2.322 5.418 -16.483 76 HB1 ALA 10 3HB ALA 10 5.239 4.540 -16.764 77 HB2 ALA 10 1HB ALA 10 4.168 5.067 -18.106 78 HB3 ALA 10 2HB ALA 10 4.625 6.227 -16.814 79 H ALA 11 H ALA 11 0.936 3.517 -15.636 80 HA ALA 11 HA ALA 11 1.471 1.261 -17.383 81 HB1 ALA 11 3HB ALA 11 1.152 0.968 -14.356 82 HB2 ALA 11 1HB ALA 11 1.145 -0.377 -15.545 83 HB3 ALA 11 2HB ALA 11 2.630 0.606 -15.310 84 HA PRO 12 HA PRO 12 -2.918 1.210 -17.695 85 HB2 PRO 12 2HB PRO 12 -3.497 -1.506 -17.799 86 HB3 PRO 12 3HB PRO 12 -2.683 -0.693 -19.142 87 HG2 PRO 12 2HG PRO 12 -1.466 -2.319 -16.880 88 HG3 PRO 12 3HG PRO 12 -1.123 -2.403 -18.613 89 HD2 PRO 12 2HD PRO 12 0.524 -1.031 -16.949 90 HD3 PRO 12 3HD PRO 12 0.209 -0.436 -18.584 91 H VAL 13 H VAL 13 -4.931 0.980 -16.645 92 HA VAL 13 HA VAL 13 -4.577 1.431 -13.930 93 HB VAL 13 HB VAL 13 -7.095 1.354 -13.838 94 HG11 VAL 13 1HG1 VAL 13 -7.448 3.247 -15.393 95 HG12 VAL 13 2HG1 VAL 13 -5.909 3.409 -14.482 96 HG13 VAL 13 3HG1 VAL 13 -5.886 2.873 -16.196 97 HG21 VAL 13 3HG2 VAL 13 -7.458 -0.465 -15.450 98 HG22 VAL 13 1HG2 VAL 13 -8.340 1.017 -15.950 99 HG23 VAL 13 2HG2 VAL 13 -6.811 0.561 -16.774 100 H GLY 14 H GLY 14 -5.405 -1.575 -15.746 101 HA2 GLY 14 2HA GLY 14 -6.455 -3.037 -13.594 102 HA3 GLY 14 3HA GLY 14 -5.706 -3.685 -15.060 103 H LYS 15 H LYS 15 -3.026 -2.630 -14.784 104 HA LYS 15 HA LYS 15 -2.041 -4.564 -12.916 105 HB2 LYS 15 2HB LYS 15 -0.700 -2.461 -14.680 106 HB3 LYS 15 3HB LYS 15 0.188 -3.616 -13.678 107 HG2 LYS 15 2HG LYS 15 -0.982 -5.493 -14.943 108 HG3 LYS 15 3HG LYS 15 -1.665 -4.268 -16.020 109 HD2 LYS 15 2HD LYS 15 0.753 -3.463 -16.437 110 HD3 LYS 15 3HD LYS 15 1.294 -4.913 -15.582 111 HE2 LYS 15 2HE LYS 15 -0.158 -6.274 -17.224 112 HE3 LYS 15 3HE LYS 15 -0.364 -4.780 -18.148 113 HZ1 LYS 15 3HZ LYS 15 2.177 -6.156 -17.576 114 HZ2 LYS 15 1HZ LYS 15 1.460 -5.964 -19.030 115 HZ3 LYS 15 2HZ LYS 15 2.095 -4.674 -18.256 116 H VAL 16 H VAL 16 -2.366 -0.959 -13.004 117 HA VAL 16 HA VAL 16 -0.620 -0.559 -10.812 118 HB VAL 16 HB VAL 16 -2.787 1.184 -12.087 119 HG11 VAL 16 1HG1 VAL 16 -1.750 3.071 -10.865 120 HG12 VAL 16 2HG1 VAL 16 -2.444 1.850 -9.745 121 HG13 VAL 16 3HG1 VAL 16 -0.669 1.919 -10.012 122 HG21 VAL 16 3HG2 VAL 16 -0.886 0.659 -13.553 123 HG22 VAL 16 1HG2 VAL 16 -0.855 2.385 -13.058 124 HG23 VAL 16 2HG2 VAL 16 0.260 1.208 -12.284 125 H TRP 17 H TRP 17 -4.261 -0.682 -11.149 126 HA TRP 17 HA TRP 17 -4.730 0.155 -8.500 127 HB2 TRP 17 2HB TRP 17 -6.428 -1.397 -10.512 128 HB3 TRP 17 3HB TRP 17 -7.039 -0.789 -8.968 129 HD1 TRP 17 HD1 TRP 17 -4.777 1.863 -9.942 130 HE1 TRP 17 HE1 TRP 17 -5.980 3.754 -11.233 131 HE3 TRP 17 HE3 TRP 17 -9.121 -0.613 -11.132 132 HZ2 TRP 17 HZ2 TRP 17 -8.422 4.152 -12.570 133 HZ3 TRP 17 HZ3 TRP 17 -10.865 0.599 -12.432 134 HH2 TRP 17 HH2 TRP 17 -10.529 2.920 -13.136 135 H ARG 18 H ARG 18 -4.411 -3.132 -10.020 136 HA ARG 18 HA ARG 18 -5.356 -4.483 -7.722 137 HB2 ARG 18 2HB ARG 18 -3.817 -5.376 -10.163 138 HB3 ARG 18 3HB ARG 18 -4.248 -6.476 -8.848 139 HG2 ARG 18 2HG ARG 18 -6.643 -5.983 -9.191 140 HG3 ARG 18 3HG ARG 18 -6.238 -4.829 -10.468 141 HD2 ARG 18 2HD ARG 18 -5.247 -6.635 -11.795 142 HD3 ARG 18 3HD ARG 18 -5.633 -7.793 -10.515 143 HE ARG 18 HE ARG 18 -8.040 -6.533 -11.234 144 HH11 ARG 18 1HH1 ARG 18 -5.631 -8.574 -12.778 145 HH12 ARG 18 2HH1 ARG 18 -6.779 -9.327 -13.834 146 HH21 ARG 18 1HH2 ARG 18 -9.497 -7.497 -12.599 147 HH22 ARG 18 2HH2 ARG 18 -9.001 -8.709 -13.733 148 H ALA 19 H ALA 19 -2.196 -3.120 -8.625 149 HA ALA 19 HA ALA 19 -0.684 -5.022 -7.110 150 HB1 ALA 19 3HB ALA 19 0.028 -2.297 -8.301 151 HB2 ALA 19 1HB ALA 19 1.196 -3.491 -7.643 152 HB3 ALA 19 2HB ALA 19 0.227 -3.893 -9.100 153 H TYR 20 H TYR 20 -2.706 -2.427 -6.151 154 HA TYR 20 HA TYR 20 -1.058 -1.018 -4.392 155 HB2 TYR 20 2HB TYR 20 -2.994 0.076 -3.789 156 HB3 TYR 20 3HB TYR 20 -3.509 -0.613 -5.334 157 HD1 TYR 20 HD1 TYR 20 -4.705 -2.951 -5.226 158 HD2 TYR 20 HD2 TYR 20 -4.260 -0.333 -1.855 159 HE1 TYR 20 HE1 TYR 20 -6.585 -4.095 -4.093 160 HE2 TYR 20 HE2 TYR 20 -6.139 -1.473 -0.715 161 HH TYR 20 HH TYR 20 -7.303 -3.589 -0.740 162 H THR 21 H THR 21 -2.721 -4.175 -4.047 163 HA THR 21 HA THR 21 -1.118 -4.487 -1.637 164 HB THR 21 HB THR 21 -4.039 -5.387 -1.799 165 HG1 THR 21 HG1 THR 21 -4.263 -3.240 -1.407 166 HG21 THR 21 3HG2 THR 21 -2.009 -5.362 0.489 167 HG22 THR 21 1HG2 THR 21 -3.728 -5.867 0.613 168 HG23 THR 21 2HG2 THR 21 -2.586 -6.811 -0.402 169 H THR 22 H THR 22 0.073 -5.572 -3.635 170 HA THR 22 HA THR 22 -0.910 -8.334 -3.789 171 HB THR 22 HB THR 22 1.183 -6.842 -5.455 172 HG1 THR 22 HG1 THR 22 -0.428 -7.211 -7.143 173 HG21 THR 22 3HG2 THR 22 0.140 -9.710 -5.671 174 HG22 THR 22 1HG2 THR 22 1.245 -8.901 -6.834 175 HG23 THR 22 2HG2 THR 22 1.787 -9.217 -5.151 176 HA PRO 23 HA PRO 23 2.167 -9.305 -0.757 177 HB2 PRO 23 2HB PRO 23 2.143 -12.094 -1.232 178 HB3 PRO 23 3HB PRO 23 0.892 -11.286 -0.278 179 HG2 PRO 23 2HG PRO 23 0.853 -12.075 -3.204 180 HG3 PRO 23 3HG PRO 23 -0.418 -12.249 -1.986 181 HD2 PRO 23 2HD PRO 23 -0.534 -10.224 -3.778 182 HD3 PRO 23 3HD PRO 23 -1.032 -9.943 -2.104 183 H GLU 24 H GLU 24 2.491 -10.611 -4.110 184 HA GLU 24 HA GLU 24 5.230 -11.204 -3.871 185 HB2 GLU 24 2HB GLU 24 3.456 -10.391 -6.219 186 HB3 GLU 24 3HB GLU 24 5.156 -10.840 -6.407 187 HG2 GLU 24 2HG GLU 24 4.695 -13.092 -5.493 188 HG3 GLU 24 3HG GLU 24 3.007 -12.652 -5.198 189 H ASP 25 H ASP 25 3.447 -8.131 -4.569 190 HA ASP 25 HA ASP 25 5.833 -6.649 -5.070 191 HB2 ASP 25 2HB ASP 25 2.970 -5.907 -4.325 192 HB3 ASP 25 3HB ASP 25 4.236 -4.696 -4.568 193 H ILE 26 H ILE 26 3.863 -7.439 -2.137 194 HA ILE 26 HA ILE 26 5.090 -5.582 -0.453 195 HB ILE 26 HB ILE 26 3.743 -8.279 0.042 196 HG12 ILE 26 2HG1 ILE 26 2.837 -5.439 0.697 197 HG13 ILE 26 3HG1 ILE 26 2.432 -6.264 -0.814 198 HG21 ILE 26 1HG2 ILE 26 3.693 -7.681 2.439 199 HG22 ILE 26 2HG2 ILE 26 5.372 -7.897 1.837 200 HG23 ILE 26 3HG2 ILE 26 4.717 -6.246 2.098 201 HD11 ILE 26 3HD1 ILE 26 1.699 -7.221 1.991 202 HD12 ILE 26 1HD1 ILE 26 0.597 -6.438 0.807 203 HD13 ILE 26 2HD1 ILE 26 1.288 -8.059 0.456 204 H LYS 27 H LYS 27 6.088 -8.858 -1.570 205 HA LYS 27 HA LYS 27 8.150 -9.305 0.250 206 HB2 LYS 27 2HB LYS 27 7.768 -10.021 -2.689 207 HB3 LYS 27 3HB LYS 27 9.160 -10.574 -1.748 208 HG2 LYS 27 2HG LYS 27 7.666 -11.754 -0.171 209 HG3 LYS 27 3HG LYS 27 6.244 -11.143 -1.027 210 HD2 LYS 27 2HD LYS 27 7.027 -12.314 -3.117 211 HD3 LYS 27 3HD LYS 27 8.406 -12.962 -2.218 212 HE2 LYS 27 2HE LYS 27 6.854 -14.117 -0.646 213 HE3 LYS 27 3HE LYS 27 5.464 -13.448 -1.511 214 HZ1 LYS 27 3HZ LYS 27 7.479 -15.264 -2.673 215 HZ2 LYS 27 1HZ LYS 27 5.963 -15.677 -2.227 216 HZ3 LYS 27 2HZ LYS 27 6.196 -14.647 -3.472 217 H GLN 28 H GLN 28 7.914 -7.024 -2.502 218 HA GLN 28 HA GLN 28 10.743 -6.430 -2.365 219 HB2 GLN 28 2HB GLN 28 8.412 -5.058 -3.800 220 HB3 GLN 28 3HB GLN 28 10.119 -4.639 -3.998 221 HG2 GLN 28 2HG GLN 28 8.820 -7.307 -4.722 222 HG3 GLN 28 3HG GLN 28 9.314 -6.042 -5.855 223 HE21 GLN 28 1HE2 GLN 28 10.169 -8.977 -5.071 224 HE22 GLN 28 2HE2 GLN 28 11.899 -8.891 -5.109 225 H TRP 29 H TRP 29 7.858 -5.552 -0.607 226 HA TRP 29 HA TRP 29 9.026 -3.004 0.228 227 HB2 TRP 29 2HB TRP 29 6.397 -4.386 0.964 228 HB3 TRP 29 3HB TRP 29 6.886 -2.765 1.474 229 HD1 TRP 29 HD1 TRP 29 8.146 -2.466 -1.786 230 HE1 TRP 29 HE1 TRP 29 6.413 -1.633 -3.515 231 HE3 TRP 29 HE3 TRP 29 3.846 -3.464 0.843 232 HZ2 TRP 29 HZ2 TRP 29 3.617 -1.424 -3.745 233 HZ3 TRP 29 HZ3 TRP 29 1.654 -2.918 -0.206 234 HH2 TRP 29 HH2 TRP 29 1.537 -1.927 -2.441 235 H ASN 30 H ASN 30 10.363 -5.647 0.896 236 HA ASN 30 HA ASN 30 9.427 -6.541 3.399 237 HB2 ASN 30 2HB ASN 30 11.386 -7.940 3.420 238 HB3 ASN 30 3HB ASN 30 10.674 -7.939 1.801 239 HD21 ASN 30 1HD2 ASN 30 12.183 -8.068 0.345 240 HD22 ASN 30 2HD2 ASN 30 13.645 -7.141 0.290 241 H ALA 31 H ALA 31 11.174 -6.738 5.328 242 HA ALA 31 HA ALA 31 11.400 -3.947 6.106 243 HB1 ALA 31 3HB ALA 31 11.729 -6.570 7.647 244 HB2 ALA 31 1HB ALA 31 11.733 -4.924 8.366 245 HB3 ALA 31 2HB ALA 31 10.249 -5.555 7.576 246 H ALA 32 H ALA 32 13.547 -6.886 5.836 247 HA ALA 32 HA ALA 32 15.808 -5.118 6.493 248 HB1 ALA 32 3HB ALA 32 15.513 -8.162 6.539 249 HB2 ALA 32 1HB ALA 32 16.994 -7.245 6.979 250 HB3 ALA 32 2HB ALA 32 15.503 -7.069 7.965 251 H SER 33 H SER 33 15.789 -8.249 4.660 252 HA SER 33 HA SER 33 16.563 -6.840 2.233 253 HB2 SER 33 2HB SER 33 18.686 -7.010 3.434 254 HB3 SER 33 3HB SER 33 18.406 -8.723 3.771 255 HG SER 33 HG SER 33 19.815 -8.393 1.965 256 H ASP 34 H ASP 34 16.565 -8.273 0.335 257 HA ASP 34 HA ASP 34 14.459 -10.195 0.601 258 HB2 ASP 34 2HB ASP 34 14.657 -10.372 -1.824 259 HB3 ASP 34 3HB ASP 34 14.664 -8.671 -1.338 260 H ASP 35 H ASP 35 17.668 -10.470 1.454 261 HA ASP 35 HA ASP 35 17.820 -13.247 0.470 262 HB2 ASP 35 2HB ASP 35 19.983 -11.347 1.498 263 HB3 ASP 35 3HB ASP 35 20.249 -13.040 1.061 264 H TRP 36 H TRP 36 17.882 -11.102 3.378 265 HA TRP 36 HA TRP 36 18.351 -13.503 5.022 266 HB2 TRP 36 2HB TRP 36 18.728 -10.533 5.662 267 HB3 TRP 36 3HB TRP 36 19.084 -11.879 6.754 268 HD1 TRP 36 HD1 TRP 36 20.604 -9.823 3.978 269 HE1 TRP 36 HE1 TRP 36 22.974 -10.702 3.424 270 HE3 TRP 36 HE3 TRP 36 20.463 -14.231 6.614 271 HZ2 TRP 36 HZ2 TRP 36 24.567 -12.942 4.018 272 HZ3 TRP 36 HZ3 TRP 36 22.467 -15.707 6.576 273 HH2 TRP 36 HH2 TRP 36 24.472 -15.082 5.318 274 H HIS 37 H HIS 37 15.793 -11.667 3.860 275 HA HIS 37 HA HIS 37 14.335 -11.933 6.412 276 HB2 HIS 37 2HB HIS 37 14.830 -9.548 5.690 277 HB3 HIS 37 3HB HIS 37 13.891 -9.846 4.222 278 HD2 HIS 37 HD2 HIS 37 13.296 -9.282 8.072 279 HE1 HIS 37 HE1 HIS 37 9.503 -9.331 6.089 280 H THR 38 H THR 38 12.399 -13.072 6.339 281 HA THR 38 HA THR 38 11.564 -13.974 3.681 282 HB THR 38 HB THR 38 10.875 -14.992 6.486 283 HG1 THR 38 HG1 THR 38 12.120 -16.849 5.721 284 HG21 THR 38 3HG2 THR 38 10.088 -16.062 3.729 285 HG22 THR 38 1HG2 THR 38 9.762 -16.865 5.302 286 HG23 THR 38 2HG2 THR 38 8.988 -15.290 4.921 287 H THR 39 H THR 39 9.746 -13.077 2.754 288 HA THR 39 HA THR 39 7.863 -11.765 4.593 289 HB THR 39 HB THR 39 8.710 -10.891 1.781 290 HG1 THR 39 HG1 THR 39 9.958 -10.474 4.016 291 HG21 THR 39 3HG2 THR 39 6.720 -9.657 3.749 292 HG22 THR 39 1HG2 THR 39 7.240 -8.937 2.188 293 HG23 THR 39 2HG2 THR 39 6.313 -10.475 2.203 294 H ALA 40 H ALA 40 5.739 -12.470 4.424 295 HA ALA 40 HA ALA 40 4.804 -13.278 1.784 296 HB1 ALA 40 3HB ALA 40 4.541 -15.020 4.285 297 HB2 ALA 40 1HB ALA 40 3.715 -15.307 2.717 298 HB3 ALA 40 2HB ALA 40 5.506 -15.402 2.820 299 H ALA 41 H ALA 41 2.530 -12.955 1.491 300 HA ALA 41 HA ALA 41 1.111 -11.805 3.781 301 HB1 ALA 41 3HB ALA 41 1.508 -10.433 1.077 302 HB2 ALA 41 1HB ALA 41 0.407 -9.878 2.382 303 HB3 ALA 41 2HB ALA 41 2.183 -9.897 2.652 304 H THR 42 H THR 42 -1.154 -12.113 3.704 305 HA THR 42 HA THR 42 -2.160 -13.246 1.189 306 HB THR 42 HB THR 42 -2.972 -13.997 4.046 307 HG1 THR 42 HG1 THR 42 -2.145 -16.098 3.350 308 HG21 THR 42 3HG2 THR 42 -4.006 -14.986 1.345 309 HG22 THR 42 1HG2 THR 42 -4.464 -15.643 2.952 310 HG23 THR 42 2HG2 THR 42 -4.904 -13.958 2.512 311 H VAL 43 H VAL 43 -4.050 -12.277 0.381 312 HA VAL 43 HA VAL 43 -5.251 -10.237 2.113 313 HB VAL 43 HB VAL 43 -3.581 -9.151 0.630 314 HG11 VAL 43 1HG1 VAL 43 -3.930 -9.138 -1.822 315 HG12 VAL 43 2HG1 VAL 43 -3.588 -10.789 -1.204 316 HG13 VAL 43 3HG1 VAL 43 -5.268 -10.320 -1.632 317 HG21 VAL 43 3HG2 VAL 43 -5.622 -7.928 1.254 318 HG22 VAL 43 1HG2 VAL 43 -5.100 -7.493 -0.409 319 HG23 VAL 43 2HG2 VAL 43 -6.481 -8.614 -0.166 320 H ASP 44 H ASP 44 -7.513 -10.273 2.053 321 HA ASP 44 HA ASP 44 -8.758 -11.516 -0.300 322 HB2 ASP 44 2HB ASP 44 -9.487 -12.243 1.977 323 HB3 ASP 44 3HB ASP 44 -9.935 -10.576 2.362 324 H LEU 45 H LEU 45 -9.024 -10.088 -1.991 325 HA LEU 45 HA LEU 45 -8.972 -7.260 -1.415 326 HB2 LEU 45 2HB LEU 45 -9.149 -8.912 -3.980 327 HB3 LEU 45 3HB LEU 45 -9.105 -7.144 -3.955 328 HG LEU 45 HG LEU 45 -6.901 -8.977 -2.870 329 HD11 LEU 45 1HD1 LEU 45 -5.619 -8.184 -4.824 330 HD12 LEU 45 2HD1 LEU 45 -7.101 -9.068 -5.322 331 HD13 LEU 45 3HD1 LEU 45 -7.057 -7.274 -5.400 332 HD21 LEU 45 3HD2 LEU 45 -7.075 -6.829 -1.666 333 HD22 LEU 45 1HD2 LEU 45 -5.607 -6.874 -2.699 334 HD23 LEU 45 2HD2 LEU 45 -7.049 -5.944 -3.228 335 H ARG 46 H ARG 46 -10.990 -6.904 -0.259 336 HA ARG 46 HA ARG 46 -13.096 -6.248 -2.043 337 HB2 ARG 46 2HB ARG 46 -14.845 -7.637 -1.208 338 HB3 ARG 46 3HB ARG 46 -13.558 -8.637 -1.893 339 HG2 ARG 46 2HG ARG 46 -12.716 -9.127 0.389 340 HG3 ARG 46 3HG ARG 46 -13.994 -8.118 1.080 341 HD2 ARG 46 2HD ARG 46 -15.698 -9.597 0.241 342 HD3 ARG 46 3HD ARG 46 -14.499 -10.550 -0.643 343 HE ARG 46 HE ARG 46 -13.880 -11.604 1.336 344 HH11 ARG 46 1HH1 ARG 46 -16.032 -8.930 2.087 345 HH12 ARG 46 2HH1 ARG 46 -16.322 -9.468 3.708 346 HH21 ARG 46 1HH2 ARG 46 -14.249 -12.273 3.418 347 HH22 ARG 46 2HH2 ARG 46 -15.298 -11.387 4.474 348 H GLU 47 H GLU 47 -14.860 -5.036 -0.904 349 HA GLU 47 HA GLU 47 -14.039 -3.595 1.360 350 HB2 GLU 47 2HB GLU 47 -15.760 -2.841 -0.250 351 HB3 GLU 47 3HB GLU 47 -16.819 -4.174 0.229 352 HG2 GLU 47 2HG GLU 47 -17.013 -3.243 2.510 353 HG3 GLU 47 3HG GLU 47 -15.878 -1.949 2.104 354 H GLY 48 H GLY 48 -13.931 -4.167 3.504 355 HA2 GLY 48 2HA GLY 48 -14.650 -5.181 5.436 356 HA3 GLY 48 3HA GLY 48 -15.772 -6.189 4.511 357 H GLY 49 H GLY 49 -12.928 -6.424 2.743 358 HA2 GLY 49 2HA GLY 49 -12.565 -9.109 3.614 359 HA3 GLY 49 3HA GLY 49 -11.631 -8.229 2.398 360 H ALA 50 H ALA 50 -10.618 -10.091 4.503 361 HA ALA 50 HA ALA 50 -9.274 -8.259 6.354 362 HB1 ALA 50 3HB ALA 50 -9.414 -11.310 6.196 363 HB2 ALA 50 1HB ALA 50 -8.593 -10.364 7.482 364 HB3 ALA 50 2HB ALA 50 -10.375 -10.256 7.287 365 H PHE 51 H PHE 51 -6.973 -8.125 6.528 366 HA PHE 51 HA PHE 51 -5.476 -9.625 4.485 367 HB2 PHE 51 2HB PHE 51 -5.665 -7.363 3.632 368 HB3 PHE 51 3HB PHE 51 -5.276 -6.666 5.210 369 HD1 PHE 51 HD1 PHE 51 -3.825 -8.898 2.557 370 HD2 PHE 51 HD2 PHE 51 -3.074 -6.072 5.705 371 HE1 PHE 51 HE1 PHE 51 -1.424 -8.855 1.949 372 HE2 PHE 51 HE2 PHE 51 -0.677 -6.029 5.096 373 HZ PHE 51 HZ PHE 51 0.154 -7.421 3.215 374 H SER 52 H SER 52 -3.439 -10.416 5.164 375 HA SER 52 HA SER 52 -2.454 -9.528 7.767 376 HB2 SER 52 2HB SER 52 -3.898 -11.442 8.295 377 HB3 SER 52 3HB SER 52 -3.111 -12.420 7.048 378 HG SER 52 HG SER 52 -2.280 -12.845 9.165 379 H SER 53 H SER 53 -0.262 -9.227 7.674 380 HA SER 53 HA SER 53 1.172 -10.670 5.529 381 HB2 SER 53 2HB SER 53 1.047 -8.277 5.070 382 HB3 SER 53 3HB SER 53 1.591 -7.889 6.707 383 HG SER 53 HG SER 53 3.302 -7.773 5.154 384 H ARG 54 H ARG 54 2.789 -12.033 6.183 385 HA ARG 54 HA ARG 54 3.622 -11.781 8.994 386 HB2 ARG 54 2HB ARG 54 2.448 -13.848 8.543 387 HB3 ARG 54 3HB ARG 54 3.529 -14.214 7.192 388 HG2 ARG 54 2HG ARG 54 5.439 -14.410 8.721 389 HG3 ARG 54 3HG ARG 54 4.430 -13.927 10.091 390 HD2 ARG 54 2HD ARG 54 3.066 -15.922 9.829 391 HD3 ARG 54 3HD ARG 54 3.991 -16.394 8.398 392 HE ARG 54 HE ARG 54 5.808 -16.108 10.538 393 HH11 ARG 54 1HH1 ARG 54 3.094 -18.165 9.667 394 HH12 ARG 54 2HH1 ARG 54 3.718 -19.541 10.513 395 HH21 ARG 54 1HH2 ARG 54 6.589 -17.875 11.627 396 HH22 ARG 54 2HH2 ARG 54 5.724 -19.376 11.640 397 H MET 55 H MET 55 5.637 -10.946 9.301 398 HA MET 55 HA MET 55 7.636 -11.521 7.203 399 HB2 MET 55 2HB MET 55 7.296 -9.117 9.055 400 HB3 MET 55 3HB MET 55 8.748 -9.418 8.092 401 HG2 MET 55 2HG MET 55 7.334 -9.354 6.009 402 HG3 MET 55 3HG MET 55 5.929 -8.956 7.007 403 HE1 MET 55 3HE MET 55 5.738 -6.852 5.228 404 HE2 MET 55 1HE MET 55 7.022 -5.608 5.059 405 HE3 MET 55 2HE MET 55 7.314 -7.283 4.483 406 H GLU 56 H GLU 56 9.605 -12.425 7.835 407 HA GLU 56 HA GLU 56 10.135 -12.565 10.717 408 HB2 GLU 56 2HB GLU 56 10.169 -14.942 8.796 409 HB3 GLU 56 3HB GLU 56 10.754 -14.964 10.465 410 HG2 GLU 56 2HG GLU 56 8.432 -14.400 11.256 411 HG3 GLU 56 3HG GLU 56 7.867 -14.464 9.582 412 H ALA 57 H ALA 57 12.398 -12.659 11.240 413 HA ALA 57 HA ALA 57 14.224 -12.213 9.023 414 HB1 ALA 57 3HB ALA 57 14.636 -12.447 12.044 415 HB2 ALA 57 1HB ALA 57 15.893 -11.986 10.847 416 HB3 ALA 57 2HB ALA 57 14.468 -10.924 11.108 417 H LYS 58 H LYS 58 15.594 -13.727 8.123 418 HA LYS 58 HA LYS 58 15.010 -16.451 8.579 419 HB2 LYS 58 2HB LYS 58 17.217 -14.982 7.067 420 HB3 LYS 58 3HB LYS 58 17.080 -16.746 7.089 421 HG2 LYS 58 2HG LYS 58 14.756 -16.537 6.126 422 HG3 LYS 58 3HG LYS 58 14.987 -14.787 6.023 423 HD2 LYS 58 2HD LYS 58 17.012 -15.164 4.569 424 HD3 LYS 58 3HD LYS 58 16.714 -16.906 4.636 425 HE2 LYS 58 2HE LYS 58 14.448 -16.549 3.620 426 HE3 LYS 58 3HE LYS 58 14.767 -14.811 3.534 427 HZ1 LYS 58 3HZ LYS 58 16.162 -16.952 2.078 428 HZ2 LYS 58 1HZ LYS 58 15.300 -15.712 1.459 429 HZ3 LYS 58 2HZ LYS 58 16.747 -15.430 2.160 430 H ASP 59 H ASP 59 17.252 -14.194 10.128 431 HA ASP 59 HA ASP 59 18.942 -16.317 11.133 432 HB2 ASP 59 2HB ASP 59 20.105 -14.527 12.285 433 HB3 ASP 59 3HB ASP 59 19.826 -14.053 10.604 434 H GLY 60 H GLY 60 15.776 -15.253 11.863 435 HA2 GLY 60 2HA GLY 60 14.426 -16.129 13.435 436 HA3 GLY 60 3HA GLY 60 15.791 -17.060 14.063 437 H SER 61 H SER 61 16.334 -13.580 13.809 438 HA SER 61 HA SER 61 16.651 -13.497 16.675 439 HB2 SER 61 2HB SER 61 17.579 -11.294 16.244 440 HB3 SER 61 3HB SER 61 18.260 -12.455 15.097 441 HG SER 61 HG SER 61 17.031 -11.626 13.456 442 H MET 62 H MET 62 14.276 -12.337 14.237 443 HA MET 62 HA MET 62 12.449 -11.616 16.332 444 HB2 MET 62 2HB MET 62 12.251 -9.255 15.707 445 HB3 MET 62 3HB MET 62 13.873 -9.608 16.318 446 HG2 MET 62 2HG MET 62 14.643 -9.803 13.890 447 HG3 MET 62 3HG MET 62 13.048 -9.211 13.406 448 HE1 MET 62 3HE MET 62 16.356 -8.619 15.108 449 HE2 MET 62 1HE MET 62 16.443 -6.855 15.433 450 HE3 MET 62 2HE MET 62 15.486 -7.922 16.516 451 H GLY 63 H GLY 63 10.271 -11.067 15.441 452 HA2 GLY 63 2HA GLY 63 10.128 -11.305 12.501 453 HA3 GLY 63 3HA GLY 63 9.043 -12.236 13.542 454 H PHE 64 H PHE 64 7.549 -10.792 11.975 455 HA PHE 64 HA PHE 64 6.636 -8.574 13.612 456 HB2 PHE 64 2HB PHE 64 8.259 -7.463 12.164 457 HB3 PHE 64 3HB PHE 64 7.602 -8.264 10.730 458 HD1 PHE 64 HD1 PHE 64 6.607 -5.941 13.510 459 HD2 PHE 64 HD2 PHE 64 5.946 -7.212 9.461 460 HE1 PHE 64 HE1 PHE 64 5.038 -4.055 13.172 461 HE2 PHE 64 HE2 PHE 64 4.380 -5.325 9.123 462 HZ PHE 64 HZ PHE 64 3.921 -3.745 10.981 463 H ASP 65 H ASP 65 4.402 -8.414 13.551 464 HA ASP 65 HA ASP 65 3.071 -10.045 11.480 465 HB2 ASP 65 2HB ASP 65 3.046 -11.115 13.731 466 HB3 ASP 65 3HB ASP 65 2.319 -9.656 14.419 467 H PHE 66 H PHE 66 1.873 -8.783 10.119 468 HA PHE 66 HA PHE 66 0.680 -6.348 11.287 469 HB2 PHE 66 2HB PHE 66 2.403 -5.891 9.567 470 HB3 PHE 66 3HB PHE 66 1.575 -6.960 8.426 471 HD1 PHE 66 HD1 PHE 66 1.311 -3.748 10.289 472 HD2 PHE 66 HD2 PHE 66 -0.334 -6.219 7.183 473 HE1 PHE 66 HE1 PHE 66 -0.061 -1.846 9.499 474 HE2 PHE 66 HE2 PHE 66 -1.705 -4.315 6.395 475 HZ PHE 66 HZ PHE 66 -1.572 -2.124 7.555 476 H ALA 67 H ALA 67 -1.539 -6.149 11.224 477 HA ALA 67 HA ALA 67 -3.006 -7.910 9.399 478 HB1 ALA 67 3HB ALA 67 -3.460 -7.704 12.416 479 HB2 ALA 67 1HB ALA 67 -4.529 -8.556 11.251 480 HB3 ALA 67 2HB ALA 67 -2.854 -9.141 11.526 481 H GLY 68 H GLY 68 -5.082 -7.093 8.767 482 HA2 GLY 68 2HA GLY 68 -6.222 -4.851 10.131 483 HA3 GLY 68 3HA GLY 68 -5.416 -4.370 8.632 484 H THR 69 H THR 69 -8.094 -3.884 8.666 485 HA THR 69 HA THR 69 -9.069 -5.958 6.844 486 HB THR 69 HB THR 69 -11.356 -5.687 7.782 487 HG1 THR 69 HG1 THR 69 -11.542 -4.580 9.860 488 HG21 THR 69 3HG2 THR 69 -9.255 -6.450 9.868 489 HG22 THR 69 1HG2 THR 69 -10.990 -6.912 9.904 490 HG23 THR 69 2HG2 THR 69 -9.924 -7.525 8.595 491 H TYR 70 H TYR 70 -10.514 -5.149 5.161 492 HA TYR 70 HA TYR 70 -10.098 -2.351 4.573 493 HB2 TYR 70 2HB TYR 70 -11.508 -4.662 3.161 494 HB3 TYR 70 3HB TYR 70 -11.522 -3.008 2.534 495 HD1 TYR 70 HD1 TYR 70 -9.257 -1.887 2.031 496 HD2 TYR 70 HD2 TYR 70 -9.673 -6.099 2.745 497 HE1 TYR 70 HE1 TYR 70 -7.079 -2.285 0.928 498 HE2 TYR 70 HE2 TYR 70 -7.492 -6.505 1.644 499 HH TYR 70 HH TYR 70 -5.584 -3.773 0.273 500 H THR 71 H THR 71 -11.713 -0.721 4.427 501 HA THR 71 HA THR 71 -14.162 -1.434 5.884 502 HB THR 71 HB THR 71 -14.251 0.960 6.548 503 HG1 THR 71 HG1 THR 71 -12.819 2.414 5.771 504 HG21 THR 71 3HG2 THR 71 -11.558 -0.371 7.126 505 HG22 THR 71 1HG2 THR 71 -12.304 0.953 8.082 506 HG23 THR 71 2HG2 THR 71 -13.094 -0.658 8.011 507 H LYS 72 H LYS 72 -12.773 0.010 2.926 508 HA LYS 72 HA LYS 72 -15.424 0.130 1.766 509 HB2 LYS 72 2HB LYS 72 -15.124 2.348 2.917 510 HB3 LYS 72 3HB LYS 72 -13.661 2.620 1.962 511 HG2 LYS 72 2HG LYS 72 -14.959 2.629 -0.123 512 HG3 LYS 72 3HG LYS 72 -16.433 2.183 0.747 513 HD2 LYS 72 2HD LYS 72 -16.261 4.317 2.081 514 HD3 LYS 72 3HD LYS 72 -14.830 4.766 1.144 515 HE2 LYS 72 2HE LYS 72 -16.160 4.731 -0.953 516 HE3 LYS 72 3HE LYS 72 -17.591 4.202 -0.059 517 HZ1 LYS 72 3HZ LYS 72 -16.182 6.762 0.348 518 HZ2 LYS 72 1HZ LYS 72 -17.604 6.567 -0.430 519 HZ3 LYS 72 2HZ LYS 72 -17.503 6.274 1.174 520 H VAL 73 H VAL 73 -15.315 -0.470 -0.384 521 HA VAL 73 HA VAL 73 -12.863 0.243 -1.802 522 HB VAL 73 HB VAL 73 -14.224 -2.498 -1.879 523 HG11 VAL 73 1HG1 VAL 73 -12.470 -3.094 -3.523 524 HG12 VAL 73 2HG1 VAL 73 -13.532 -1.777 -4.126 525 HG13 VAL 73 3HG1 VAL 73 -11.889 -1.394 -3.511 526 HG21 VAL 73 3HG2 VAL 73 -12.755 -2.188 0.067 527 HG22 VAL 73 1HG2 VAL 73 -12.023 -3.331 -1.110 528 HG23 VAL 73 2HG2 VAL 73 -11.425 -1.640 -1.008 529 H VAL 74 H VAL 74 -13.321 1.243 -3.753 530 HA VAL 74 HA VAL 74 -16.034 0.830 -4.804 531 HB VAL 74 HB VAL 74 -14.444 3.444 -4.669 532 HG11 VAL 74 1HG1 VAL 74 -16.465 4.471 -5.666 533 HG12 VAL 74 2HG1 VAL 74 -15.724 3.255 -6.760 534 HG13 VAL 74 3HG1 VAL 74 -17.205 2.842 -5.832 535 HG21 VAL 74 3HG2 VAL 74 -15.433 2.809 -2.510 536 HG22 VAL 74 1HG2 VAL 74 -16.298 4.214 -3.220 537 HG23 VAL 74 2HG2 VAL 74 -17.031 2.576 -3.295 538 H GLU 75 H GLU 75 -15.546 -0.509 -6.586 539 HA GLU 75 HA GLU 75 -14.798 -1.034 -8.620 540 HB2 GLU 75 2HB GLU 75 -14.823 2.010 -8.898 541 HB3 GLU 75 3HB GLU 75 -14.749 0.867 -10.245 542 HG2 GLU 75 2HG GLU 75 -16.973 -0.066 -9.549 543 HG3 GLU 75 3HG GLU 75 -17.047 1.123 -8.242 544 H ASN 76 H ASN 76 -12.673 -0.724 -6.539 545 HA ASN 76 HA ASN 76 -10.484 -0.549 -6.320 546 HB2 ASN 76 2HB ASN 76 -10.468 -0.940 -9.338 547 HB3 ASN 76 3HB ASN 76 -9.072 -1.111 -8.267 548 HD21 ASN 76 1HD2 ASN 76 -11.340 -2.757 -9.911 549 HD22 ASN 76 2HD2 ASN 76 -11.318 -4.244 -9.023 550 H LYS 77 H LYS 77 -11.857 1.973 -6.465 551 HA LYS 77 HA LYS 77 -9.850 3.607 -7.875 552 HB2 LYS 77 2HB LYS 77 -12.887 3.898 -7.833 553 HB3 LYS 77 3HB LYS 77 -11.797 5.211 -8.299 554 HG2 LYS 77 2HG LYS 77 -10.958 3.932 -10.203 555 HG3 LYS 77 3HG LYS 77 -11.829 2.484 -9.682 556 HD2 LYS 77 2HD LYS 77 -14.006 3.752 -9.942 557 HD3 LYS 77 3HD LYS 77 -13.093 5.132 -10.567 558 HE2 LYS 77 2HE LYS 77 -12.260 3.796 -12.457 559 HE3 LYS 77 3HE LYS 77 -12.995 2.330 -11.796 560 HZ1 LYS 77 3HZ LYS 77 -14.444 4.713 -12.753 561 HZ2 LYS 77 1HZ LYS 77 -14.382 3.253 -13.480 562 HZ3 LYS 77 2HZ LYS 77 -15.158 3.422 -12.054 563 H ARG 78 H ARG 78 -12.292 3.312 -5.202 564 HA ARG 78 HA ARG 78 -10.491 5.065 -3.684 565 HB2 ARG 78 2HB ARG 78 -13.517 5.189 -3.641 566 HB3 ARG 78 3HB ARG 78 -12.446 5.983 -2.478 567 HG2 ARG 78 2HG ARG 78 -12.366 6.498 -5.481 568 HG3 ARG 78 3HG ARG 78 -13.341 7.442 -4.347 569 HD2 ARG 78 2HD ARG 78 -11.280 8.034 -3.112 570 HD3 ARG 78 3HD ARG 78 -10.331 7.147 -4.312 571 HE ARG 78 HE ARG 78 -11.591 9.761 -4.635 572 HH11 ARG 78 1HH1 ARG 78 -10.031 7.052 -6.239 573 HH12 ARG 78 2HH1 ARG 78 -9.651 7.964 -7.661 574 HH21 ARG 78 1HH2 ARG 78 -11.086 10.921 -6.457 575 HH22 ARG 78 2HH2 ARG 78 -10.256 10.187 -7.788 576 H ILE 79 H ILE 79 -9.669 3.974 -1.948 577 HA ILE 79 HA ILE 79 -11.301 1.791 -0.874 578 HB ILE 79 HB ILE 79 -8.369 1.643 -1.741 579 HG12 ILE 79 2HG1 ILE 79 -10.834 0.060 -2.613 580 HG13 ILE 79 3HG1 ILE 79 -10.085 1.368 -3.537 581 HG21 ILE 79 1HG2 ILE 79 -8.421 -0.672 -0.877 582 HG22 ILE 79 2HG2 ILE 79 -8.683 0.535 0.427 583 HG23 ILE 79 3HG2 ILE 79 -10.074 -0.391 -0.233 584 HD11 ILE 79 3HD1 ILE 79 -8.747 -1.266 -2.773 585 HD12 ILE 79 1HD1 ILE 79 -9.392 -0.826 -4.390 586 HD13 ILE 79 2HD1 ILE 79 -7.987 0.063 -3.711 587 H GLU 80 H GLU 80 -11.344 1.784 1.366 588 HA GLU 80 HA GLU 80 -9.184 3.278 2.719 589 HB2 GLU 80 2HB GLU 80 -11.473 4.333 2.818 590 HB3 GLU 80 3HB GLU 80 -12.079 2.871 3.608 591 HG2 GLU 80 2HG GLU 80 -10.493 3.237 5.501 592 HG3 GLU 80 3HG GLU 80 -9.891 4.701 4.712 593 H TYR 81 H TYR 81 -8.092 2.244 4.408 594 HA TYR 81 HA TYR 81 -8.995 -0.481 5.037 595 HB2 TYR 81 2HB TYR 81 -7.444 -0.771 3.198 596 HB3 TYR 81 3HB TYR 81 -6.297 0.379 3.897 597 HD1 TYR 81 HD1 TYR 81 -7.877 -2.973 4.447 598 HD2 TYR 81 HD2 TYR 81 -4.629 -0.342 5.425 599 HE1 TYR 81 HE1 TYR 81 -6.728 -4.831 5.614 600 HE2 TYR 81 HE2 TYR 81 -3.475 -2.196 6.590 601 HH TYR 81 HH TYR 81 -3.444 -4.394 6.983 602 H ALA 82 H ALA 82 -8.442 -1.191 7.136 603 HA ALA 82 HA ALA 82 -7.185 0.905 8.792 604 HB1 ALA 82 3HB ALA 82 -9.507 -0.977 9.441 605 HB2 ALA 82 1HB ALA 82 -8.736 0.171 10.588 606 HB3 ALA 82 2HB ALA 82 -9.619 0.792 9.153 607 H PHE 83 H PHE 83 -5.643 0.262 10.314 608 HA PHE 83 HA PHE 83 -5.236 -2.602 10.698 609 HB2 PHE 83 2HB PHE 83 -2.815 -2.368 10.142 610 HB3 PHE 83 3HB PHE 83 -3.872 -2.168 8.738 611 HD1 PHE 83 HD1 PHE 83 -4.189 0.051 7.704 612 HD2 PHE 83 HD2 PHE 83 -1.509 -0.513 11.015 613 HE1 PHE 83 HE1 PHE 83 -3.126 2.232 7.217 614 HE2 PHE 83 HE2 PHE 83 -0.451 1.671 10.527 615 HZ PHE 83 HZ PHE 83 -1.257 3.046 8.629 616 H GLY 84 H GLY 84 -4.588 -3.050 12.797 617 HA2 GLY 84 2HA GLY 84 -3.912 -2.701 14.903 618 HA3 GLY 84 3HA GLY 84 -2.811 -1.478 14.256 619 H ASP 85 H ASP 85 -3.026 0.421 15.403 620 HA ASP 85 HA ASP 85 -5.778 1.270 16.035 621 HB2 ASP 85 2HB ASP 85 -4.715 2.749 17.702 622 HB3 ASP 85 3HB ASP 85 -4.341 1.047 18.000 623 H ARG 86 H ARG 86 -4.264 1.489 13.353 624 HA ARG 86 HA ARG 86 -4.699 4.382 13.123 625 HB2 ARG 86 2HB ARG 86 -2.353 2.855 11.969 626 HB3 ARG 86 3HB ARG 86 -2.834 4.485 11.479 627 HG2 ARG 86 2HG ARG 86 -2.072 3.700 14.325 628 HG3 ARG 86 3HG ARG 86 -0.945 4.375 13.141 629 HD2 ARG 86 2HD ARG 86 -2.414 6.378 12.963 630 HD3 ARG 86 3HD ARG 86 -3.423 5.707 14.251 631 HE ARG 86 HE ARG 86 -0.795 6.939 14.529 632 HH11 ARG 86 1HH1 ARG 86 -3.267 4.975 16.073 633 HH12 ARG 86 2HH1 ARG 86 -2.677 5.284 17.671 634 HH21 ARG 86 1HH2 ARG 86 -0.058 7.335 16.583 635 HH22 ARG 86 2HH2 ARG 86 -0.835 6.640 17.966 636 H THR 87 H THR 87 -4.821 4.960 10.612 637 HA THR 87 HA THR 87 -6.051 2.765 9.149 638 HB THR 87 HB THR 87 -7.900 3.879 10.425 639 HG1 THR 87 HG1 THR 87 -9.201 4.303 8.497 640 HG21 THR 87 3HG2 THR 87 -7.078 6.334 8.798 641 HG22 THR 87 1HG2 THR 87 -8.547 6.193 9.821 642 HG23 THR 87 2HG2 THR 87 -6.919 6.138 10.576 643 H ALA 88 H ALA 88 -6.367 3.324 6.797 644 HA ALA 88 HA ALA 88 -5.024 5.758 5.920 645 HB1 ALA 88 3HB ALA 88 -4.140 2.943 5.116 646 HB2 ALA 88 1HB ALA 88 -3.570 4.474 4.370 647 HB3 ALA 88 2HB ALA 88 -3.194 4.119 6.090 648 H LYS 89 H LYS 89 -5.445 6.249 3.621 649 HA LYS 89 HA LYS 89 -7.486 4.531 2.395 650 HB2 LYS 89 2HB LYS 89 -8.610 6.447 3.551 651 HB3 LYS 89 3HB LYS 89 -7.615 7.577 2.624 652 HG2 LYS 89 2HG LYS 89 -8.625 6.754 0.507 653 HG3 LYS 89 3HG LYS 89 -9.597 5.586 1.412 654 HD2 LYS 89 2HD LYS 89 -10.742 7.420 2.621 655 HD3 LYS 89 3HD LYS 89 -9.715 8.621 1.828 656 HE2 LYS 89 2HE LYS 89 -10.618 7.940 -0.396 657 HE3 LYS 89 3HE LYS 89 -11.627 6.712 0.381 658 HZ1 LYS 89 3HZ LYS 89 -11.819 9.619 0.853 659 HZ2 LYS 89 1HZ LYS 89 -12.851 8.726 -0.042 660 HZ3 LYS 89 2HZ LYS 89 -12.750 8.486 1.570 661 H VAL 90 H VAL 90 -7.087 4.131 0.236 662 HA VAL 90 HA VAL 90 -5.006 5.807 -0.991 663 HB VAL 90 HB VAL 90 -4.276 3.492 -0.740 664 HG11 VAL 90 1HG1 VAL 90 -5.516 1.619 -1.783 665 HG12 VAL 90 2HG1 VAL 90 -6.481 2.429 -0.503 666 HG13 VAL 90 3HG1 VAL 90 -6.836 2.749 -2.235 667 HG21 VAL 90 3HG2 VAL 90 -3.637 4.652 -2.811 668 HG22 VAL 90 1HG2 VAL 90 -3.879 2.898 -3.111 669 HG23 VAL 90 2HG2 VAL 90 -5.138 4.077 -3.612 670 H GLU 91 H GLU 91 -5.463 6.844 -2.951 671 HA GLU 91 HA GLU 91 -8.102 6.232 -4.124 672 HB2 GLU 91 2HB GLU 91 -6.688 8.938 -4.007 673 HB3 GLU 91 3HB GLU 91 -8.289 8.609 -4.681 674 HG2 GLU 91 2HG GLU 91 -9.177 8.069 -2.460 675 HG3 GLU 91 3HG GLU 91 -7.567 8.196 -1.739 676 H PHE 92 H PHE 92 -8.246 6.216 -6.422 677 HA PHE 92 HA PHE 92 -5.610 6.244 -7.755 678 HB2 PHE 92 2HB PHE 92 -8.067 4.523 -8.356 679 HB3 PHE 92 3HB PHE 92 -6.540 4.500 -9.249 680 HD1 PHE 92 HD1 PHE 92 -4.509 3.525 -8.256 681 HD2 PHE 92 HD2 PHE 92 -8.264 3.482 -6.168 682 HE1 PHE 92 HE1 PHE 92 -3.629 1.806 -6.706 683 HE2 PHE 92 HE2 PHE 92 -7.380 1.769 -4.615 684 HZ PHE 92 HZ PHE 92 -5.061 0.928 -4.881 685 H LEU 93 H LEU 93 -5.385 7.702 -9.401 686 HA LEU 93 HA LEU 93 -7.882 8.750 -10.587 687 HB2 LEU 93 2HB LEU 93 -6.742 10.461 -9.280 688 HB3 LEU 93 3HB LEU 93 -5.188 10.074 -10.031 689 HG LEU 93 HG LEU 93 -6.132 10.843 -12.258 690 HD11 LEU 93 1HD1 LEU 93 -8.193 12.201 -12.217 691 HD12 LEU 93 2HD1 LEU 93 -8.516 10.500 -11.740 692 HD13 LEU 93 3HD1 LEU 93 -8.436 11.784 -10.487 693 HD21 LEU 93 3HD2 LEU 93 -4.726 12.292 -10.838 694 HD22 LEU 93 1HD2 LEU 93 -5.989 13.246 -11.686 695 HD23 LEU 93 2HD2 LEU 93 -6.184 12.844 -9.947 696 H GLU 94 H GLU 94 -8.177 8.313 -12.732 697 HA GLU 94 HA GLU 94 -6.006 7.100 -14.207 698 HB2 GLU 94 2HB GLU 94 -8.352 6.291 -14.368 699 HB3 GLU 94 3HB GLU 94 -8.860 7.868 -14.988 700 HG2 GLU 94 2HG GLU 94 -7.392 7.552 -16.985 701 HG3 GLU 94 3HG GLU 94 -6.893 5.972 -16.366 702 H ALA 95 H ALA 95 -4.510 8.243 -15.362 703 HA ALA 95 HA ALA 95 -5.339 10.907 -16.334 704 HB1 ALA 95 3HB ALA 95 -2.583 9.872 -15.508 705 HB2 ALA 95 1HB ALA 95 -2.932 11.495 -16.193 706 HB3 ALA 95 2HB ALA 95 -3.603 11.033 -14.593 707 HA PRO 96 HA PRO 96 -4.456 9.582 -20.466 708 HB2 PRO 96 2HB PRO 96 -3.297 11.902 -21.496 709 HB3 PRO 96 3HB PRO 96 -5.036 11.791 -21.193 710 HG2 PRO 96 2HG PRO 96 -2.869 13.005 -19.444 711 HG3 PRO 96 3HG PRO 96 -4.458 13.661 -19.856 712 HD2 PRO 96 2HD PRO 96 -4.056 12.441 -17.467 713 HD3 PRO 96 3HD PRO 96 -5.593 12.245 -18.319 714 H GLN 97 H GLN 97 -1.818 10.776 -18.409 715 HA GLN 97 HA GLN 97 0.103 9.670 -20.323 716 HB2 GLN 97 2HB GLN 97 0.470 11.271 -17.740 717 HB3 GLN 97 3HB GLN 97 1.776 10.744 -18.810 718 HG2 GLN 97 2HG GLN 97 -0.466 12.693 -19.513 719 HG3 GLN 97 3HG GLN 97 1.223 13.105 -19.189 720 HE21 GLN 97 1HE2 GLN 97 -0.792 13.079 -21.627 721 HE22 GLN 97 2HE2 GLN 97 0.198 12.505 -22.927 722 H GLY 98 H GLY 98 -1.590 8.885 -17.322 723 HA2 GLY 98 2HA GLY 98 -0.498 6.326 -17.133 724 HA3 GLY 98 3HA GLY 98 0.460 7.381 -16.086 725 H VAL 99 H VAL 99 -0.497 5.844 -14.368 726 HA VAL 99 HA VAL 99 -3.132 6.879 -13.578 727 HB VAL 99 HB VAL 99 -1.752 4.246 -12.839 728 HG11 VAL 99 1HG1 VAL 99 -3.890 3.695 -11.718 729 HG12 VAL 99 2HG1 VAL 99 -3.102 5.133 -10.984 730 HG13 VAL 99 3HG1 VAL 99 -4.503 5.342 -12.088 731 HG21 VAL 99 3HG2 VAL 99 -2.593 4.270 -15.149 732 HG22 VAL 99 1HG2 VAL 99 -3.597 3.199 -14.115 733 HG23 VAL 99 2HG2 VAL 99 -4.199 4.828 -14.572 734 H THR 100 H THR 100 -3.227 8.085 -11.690 735 HA THR 100 HA THR 100 -0.706 8.301 -10.226 736 HB THR 100 HB THR 100 -3.171 10.115 -10.361 737 HG1 THR 100 HG1 THR 100 -1.598 11.543 -11.396 738 HG21 THR 100 3HG2 THR 100 -0.534 10.475 -8.855 739 HG22 THR 100 1HG2 THR 100 -1.832 11.706 -9.014 740 HG23 THR 100 2HG2 THR 100 -2.145 10.181 -8.117 741 H VAL 101 H VAL 101 -0.530 7.537 -8.127 742 HA VAL 101 HA VAL 101 -3.051 6.698 -6.868 743 HB VAL 101 HB VAL 101 -0.218 5.578 -6.544 744 HG11 VAL 101 1HG1 VAL 101 -1.304 3.833 -5.163 745 HG12 VAL 101 2HG1 VAL 101 -1.499 5.468 -4.448 746 HG13 VAL 101 3HG1 VAL 101 -2.871 4.696 -5.312 747 HG21 VAL 101 3HG2 VAL 101 -1.241 4.978 -8.695 748 HG22 VAL 101 1HG2 VAL 101 -1.154 3.551 -7.608 749 HG23 VAL 101 2HG2 VAL 101 -2.717 4.403 -7.848 750 H ARG 102 H ARG 102 -3.597 7.699 -4.948 751 HA ARG 102 HA ARG 102 -1.418 9.105 -3.550 752 HB2 ARG 102 2HB ARG 102 -2.883 10.687 -4.684 753 HB3 ARG 102 3HB ARG 102 -4.297 9.988 -3.883 754 HG2 ARG 102 2HG ARG 102 -3.484 10.702 -1.697 755 HG3 ARG 102 3HG ARG 102 -1.958 11.256 -2.398 756 HD2 ARG 102 2HD ARG 102 -3.281 13.161 -2.003 757 HD3 ARG 102 3HD ARG 102 -3.230 12.907 -3.752 758 HE ARG 102 HE ARG 102 -5.559 11.679 -2.616 759 HH11 ARG 102 1HH1 ARG 102 -4.244 14.827 -3.461 760 HH12 ARG 102 2HH1 ARG 102 -5.802 15.530 -3.745 761 HH21 ARG 102 1HH2 ARG 102 -7.549 12.598 -2.970 762 HH22 ARG 102 2HH2 ARG 102 -7.699 14.251 -3.463 763 H VAL 103 H VAL 103 -1.095 8.517 -1.438 764 HA VAL 103 HA VAL 103 -3.279 6.996 -0.188 765 HB VAL 103 HB VAL 103 -0.257 6.584 0.071 766 HG11 VAL 103 1HG1 VAL 103 -0.854 4.661 1.509 767 HG12 VAL 103 2HG1 VAL 103 -1.406 6.220 2.211 768 HG13 VAL 103 3HG1 VAL 103 -2.585 5.129 1.408 769 HG21 VAL 103 3HG2 VAL 103 -1.176 5.716 -2.036 770 HG22 VAL 103 1HG2 VAL 103 -0.722 4.371 -0.935 771 HG23 VAL 103 2HG2 VAL 103 -2.448 4.829 -1.130 772 H SER 104 H SER 104 -4.050 7.923 1.688 773 HA SER 104 HA SER 104 -2.175 9.654 3.184 774 HB2 SER 104 2HB SER 104 -3.962 10.932 2.009 775 HB3 SER 104 3HB SER 104 -5.191 9.951 2.818 776 HG SER 104 HG SER 104 -3.490 11.967 3.853 777 H PHE 105 H PHE 105 -1.941 9.215 5.368 778 HA PHE 105 HA PHE 105 -3.761 7.261 6.558 779 HB2 PHE 105 2HB PHE 105 -1.917 5.780 7.180 780 HB3 PHE 105 3HB PHE 105 -2.035 5.912 5.420 781 HD1 PHE 105 HD1 PHE 105 -0.376 7.296 4.155 782 HD2 PHE 105 HD2 PHE 105 0.033 6.525 8.362 783 HE1 PHE 105 HE1 PHE 105 2.009 7.952 4.044 784 HE2 PHE 105 HE2 PHE 105 2.417 7.183 8.250 785 HZ PHE 105 HZ PHE 105 3.409 7.899 6.093 786 H VAL 106 H VAL 106 -3.304 6.985 8.952 787 HA VAL 106 HA VAL 106 -2.622 9.581 10.022 788 HB VAL 106 HB VAL 106 -3.645 7.024 11.362 789 HG11 VAL 106 1HG1 VAL 106 -4.187 8.506 13.271 790 HG12 VAL 106 2HG1 VAL 106 -2.423 8.466 12.935 791 HG13 VAL 106 3HG1 VAL 106 -3.404 9.880 12.421 792 HG21 VAL 106 3HG2 VAL 106 -5.249 7.965 9.755 793 HG22 VAL 106 1HG2 VAL 106 -5.813 8.216 11.441 794 HG23 VAL 106 2HG2 VAL 106 -5.092 9.580 10.523 795 H ALA 107 H ALA 107 -0.792 10.065 11.271 796 HA ALA 107 HA ALA 107 1.389 8.230 10.946 797 HB1 ALA 107 3HB ALA 107 1.147 10.921 12.376 798 HB2 ALA 107 1HB ALA 107 2.680 10.052 12.029 799 HB3 ALA 107 2HB ALA 107 1.667 10.661 10.677 800 H GLU 108 H GLU 108 2.594 7.135 12.572 801 HA GLU 108 HA GLU 108 1.150 6.615 15.021 802 HB2 GLU 108 2HB GLU 108 3.861 5.671 13.972 803 HB3 GLU 108 3HB GLU 108 3.088 5.089 15.452 804 HG2 GLU 108 2HG GLU 108 1.204 4.165 14.146 805 HG3 GLU 108 3HG GLU 108 1.886 4.820 12.652 806 H THR 109 H THR 109 1.683 7.329 17.101 807 HA THR 109 HA THR 109 3.245 9.698 17.213 808 HB THR 109 HB THR 109 2.717 9.608 19.654 809 HG1 THR 109 HG1 THR 109 1.333 7.831 20.368 810 HG21 THR 109 3HG2 THR 109 0.353 8.967 17.825 811 HG22 THR 109 1HG2 THR 109 0.255 9.757 19.434 812 HG23 THR 109 2HG2 THR 109 1.091 10.584 18.077 813 H GLU 110 H GLU 110 3.946 6.262 17.594 814 HA GLU 110 HA GLU 110 6.108 6.590 19.435 815 HB2 GLU 110 2HB GLU 110 5.266 4.346 17.542 816 HB3 GLU 110 3HB GLU 110 6.632 4.224 18.659 817 HG2 GLU 110 2HG GLU 110 5.114 4.544 20.590 818 HG3 GLU 110 3HG GLU 110 3.738 4.750 19.499 819 H TYR 111 H TYR 111 5.713 7.229 16.023 820 HA TYR 111 HA TYR 111 8.649 7.358 15.787 821 HB2 TYR 111 2HB TYR 111 6.624 6.507 13.657 822 HB3 TYR 111 3HB TYR 111 8.349 6.774 13.375 823 HD1 TYR 111 HD1 TYR 111 10.024 5.183 14.209 824 HD2 TYR 111 HD2 TYR 111 5.836 4.528 14.881 825 HE1 TYR 111 HE1 TYR 111 10.495 2.832 14.825 826 HE2 TYR 111 HE2 TYR 111 6.298 2.176 15.499 827 HH TYR 111 HH TYR 111 7.825 0.605 15.770 828 HA PRO 112 HA PRO 112 7.937 11.555 14.454 829 HB2 PRO 112 2HB PRO 112 10.148 11.855 12.797 830 HB3 PRO 112 3HB PRO 112 10.322 11.828 14.557 831 HG2 PRO 112 2HG PRO 112 10.726 9.570 12.565 832 HG3 PRO 112 3HG PRO 112 11.748 10.041 13.930 833 HD2 PRO 112 2HD PRO 112 10.011 7.956 14.143 834 HD3 PRO 112 3HD PRO 112 10.329 9.011 15.526 835 H VAL 113 H VAL 113 7.079 12.780 12.789 836 HA VAL 113 HA VAL 113 5.567 11.321 10.991 837 HB VAL 113 HB VAL 113 5.145 13.537 9.896 838 HG11 VAL 113 1HG1 VAL 113 4.157 14.633 11.883 839 HG12 VAL 113 2HG1 VAL 113 3.866 12.861 11.882 840 HG13 VAL 113 3HG1 VAL 113 5.127 13.563 12.950 841 HG21 VAL 113 3HG2 VAL 113 7.404 14.481 10.094 842 HG22 VAL 113 1HG2 VAL 113 6.191 15.565 10.854 843 HG23 VAL 113 2HG2 VAL 113 7.241 14.531 11.881 844 H GLU 114 H GLU 114 8.898 12.614 10.716 845 HA GLU 114 HA GLU 114 9.108 12.460 7.912 846 HB2 GLU 114 2HB GLU 114 11.130 12.217 10.186 847 HB3 GLU 114 3HB GLU 114 11.593 12.209 8.479 848 HG2 GLU 114 2HG GLU 114 10.677 14.472 8.172 849 HG3 GLU 114 3HG GLU 114 10.055 14.483 9.828 850 H GLN 115 H GLN 115 9.643 10.011 10.547 851 HA GLN 115 HA GLN 115 10.683 8.032 8.831 852 HB2 GLN 115 2HB GLN 115 10.918 8.045 11.307 853 HB3 GLN 115 3HB GLN 115 9.173 7.812 11.483 854 HG2 GLN 115 2HG GLN 115 10.295 5.689 11.815 855 HG3 GLN 115 3HG GLN 115 9.352 5.614 10.321 856 HE21 GLN 115 1HE2 GLN 115 10.451 4.266 9.010 857 HE22 GLN 115 2HE2 GLN 115 12.128 4.401 8.600 858 H GLN 116 H GLN 116 7.304 8.877 9.864 859 HA GLN 116 HA GLN 116 6.111 6.586 8.735 860 HB2 GLN 116 2HB GLN 116 5.093 9.393 9.384 861 HB3 GLN 116 3HB GLN 116 4.042 8.108 8.774 862 HG2 GLN 116 2HG GLN 116 5.697 7.920 11.333 863 HG3 GLN 116 3HG GLN 116 3.994 8.394 11.270 864 HE21 GLN 116 1HE2 GLN 116 5.754 5.933 12.209 865 HE22 GLN 116 2HE2 GLN 116 4.795 4.578 11.715 866 H GLN 117 H GLN 117 6.736 9.933 7.423 867 HA GLN 117 HA GLN 117 5.356 9.507 5.013 868 HB2 GLN 117 2HB GLN 117 5.982 11.734 5.911 869 HB3 GLN 117 3HB GLN 117 7.697 11.352 5.710 870 HG2 GLN 117 2HG GLN 117 7.361 11.168 3.244 871 HG3 GLN 117 3HG GLN 117 5.650 11.566 3.451 872 HE21 GLN 117 1HE2 GLN 117 6.627 13.253 1.831 873 HE22 GLN 117 2HE2 GLN 117 7.110 14.760 2.533 874 H GLN 118 H GLN 118 8.886 9.133 5.888 875 HA GLN 118 HA GLN 118 9.655 8.522 3.238 876 HB2 GLN 118 2HB GLN 118 10.916 8.083 5.985 877 HB3 GLN 118 3HB GLN 118 11.718 7.584 4.490 878 HG2 GLN 118 2HG GLN 118 11.731 9.904 3.673 879 HG3 GLN 118 3HG GLN 118 10.816 10.439 5.089 880 HE21 GLN 118 1HE2 GLN 118 13.023 11.797 4.797 881 HE22 GLN 118 2HE2 GLN 118 14.296 11.286 5.856 882 H GLY 119 H GLY 119 8.538 6.516 6.040 883 HA2 GLY 119 2HA GLY 119 9.379 4.033 5.049 884 HA3 GLY 119 3HA GLY 119 8.057 4.332 6.185 885 H TRP 120 H TRP 120 6.192 5.794 4.644 886 HA TRP 120 HA TRP 120 5.099 3.754 2.994 887 HB2 TRP 120 2HB TRP 120 4.393 6.456 4.000 888 HB3 TRP 120 3HB TRP 120 3.797 6.149 2.364 889 HD1 TRP 120 HD1 TRP 120 1.592 4.765 2.174 890 HE1 TRP 120 HE1 TRP 120 0.144 3.396 3.822 891 HE3 TRP 120 HE3 TRP 120 4.715 4.842 6.256 892 HZ2 TRP 120 HZ2 TRP 120 0.287 2.473 6.476 893 HZ3 TRP 120 HZ3 TRP 120 3.986 3.693 8.329 894 HH2 TRP 120 HH2 TRP 120 1.804 2.518 8.434 895 H GLN 121 H GLN 121 7.025 6.751 2.366 896 HA GLN 121 HA GLN 121 6.595 6.773 -0.419 897 HB2 GLN 121 2HB GLN 121 7.488 8.665 0.986 898 HB3 GLN 121 3HB GLN 121 8.989 7.757 1.214 899 HG2 GLN 121 2HG GLN 121 9.333 9.399 -0.528 900 HG3 GLN 121 3HG GLN 121 9.367 7.788 -1.258 901 HE21 GLN 121 1HE2 GLN 121 8.487 7.895 -3.231 902 HE22 GLN 121 2HE2 GLN 121 7.024 8.717 -3.656 903 H ALA 122 H ALA 122 8.937 5.020 1.702 904 HA ALA 122 HA ALA 122 10.736 4.318 -0.339 905 HB1 ALA 122 3HB ALA 122 10.025 2.925 2.289 906 HB2 ALA 122 1HB ALA 122 11.479 2.595 1.288 907 HB3 ALA 122 2HB ALA 122 11.268 4.202 2.062 908 H ILE 123 H ILE 123 7.808 2.600 0.995 909 HA ILE 123 HA ILE 123 8.196 0.396 -0.774 910 HB ILE 123 HB ILE 123 5.995 -0.345 0.047 911 HG12 ILE 123 2HG1 ILE 123 5.866 2.323 1.527 912 HG13 ILE 123 3HG1 ILE 123 4.976 1.968 0.041 913 HG21 ILE 123 1HG2 ILE 123 6.515 -0.458 2.462 914 HG22 ILE 123 2HG2 ILE 123 7.969 -0.754 1.451 915 HG23 ILE 123 3HG2 ILE 123 7.743 0.836 2.255 916 HD11 ILE 123 3HD1 ILE 123 4.693 0.474 2.687 917 HD12 ILE 123 1HD1 ILE 123 3.548 1.684 2.016 918 HD13 ILE 123 2HD1 ILE 123 3.789 0.114 1.177 919 H LEU 124 H LEU 124 6.499 3.545 -0.910 920 HA LEU 124 HA LEU 124 4.870 2.905 -3.152 921 HB2 LEU 124 2HB LEU 124 4.653 4.851 -1.482 922 HB3 LEU 124 3HB LEU 124 5.997 5.621 -2.335 923 HG LEU 124 HG LEU 124 4.648 5.601 -4.454 924 HD11 LEU 124 1HD1 LEU 124 2.240 5.080 -4.322 925 HD12 LEU 124 2HD1 LEU 124 3.247 3.641 -3.947 926 HD13 LEU 124 3HD1 LEU 124 2.446 4.547 -2.620 927 HD21 LEU 124 3HD2 LEU 124 4.666 7.564 -2.955 928 HD22 LEU 124 1HD2 LEU 124 3.063 7.362 -3.738 929 HD23 LEU 124 2HD2 LEU 124 3.293 6.873 -2.025 930 H ASN 125 H ASN 125 8.280 4.016 -2.748 931 HA ASN 125 HA ASN 125 8.672 4.707 -5.446 932 HB2 ASN 125 2HB ASN 125 10.532 3.835 -3.215 933 HB3 ASN 125 3HB ASN 125 11.118 4.221 -4.838 934 HD21 ASN 125 1HD2 ASN 125 11.935 5.574 -2.589 935 HD22 ASN 125 2HD2 ASN 125 11.426 7.223 -2.736 936 H ASN 126 H ASN 126 9.098 1.577 -3.624 937 HA ASN 126 HA ASN 126 10.047 0.158 -5.874 938 HB2 ASN 126 2HB ASN 126 8.727 -0.663 -3.269 939 HB3 ASN 126 3HB ASN 126 9.203 -1.840 -4.501 940 HD21 ASN 126 1HD2 ASN 126 10.261 -2.080 -2.078 941 HD22 ASN 126 2HD2 ASN 126 11.950 -1.697 -2.119 942 H PHE 127 H PHE 127 6.735 0.851 -4.575 943 HA PHE 127 HA PHE 127 5.299 -0.823 -6.269 944 HB2 PHE 127 2HB PHE 127 4.266 0.363 -4.412 945 HB3 PHE 127 3HB PHE 127 4.699 1.934 -5.099 946 HD1 PHE 127 HD1 PHE 127 2.538 -1.064 -5.555 947 HD2 PHE 127 HD2 PHE 127 3.347 2.978 -6.771 948 HE1 PHE 127 HE1 PHE 127 0.374 -0.989 -6.755 949 HE2 PHE 127 HE2 PHE 127 1.181 3.051 -7.966 950 HZ PHE 127 HZ PHE 127 -0.311 1.068 -7.960 951 H LYS 128 H LYS 128 6.445 2.605 -6.818 952 HA LYS 128 HA LYS 128 5.267 2.839 -9.357 953 HB2 LYS 128 2HB LYS 128 6.021 4.754 -8.016 954 HB3 LYS 128 3HB LYS 128 7.696 4.192 -8.093 955 HG2 LYS 128 2HG LYS 128 7.620 4.479 -10.608 956 HG3 LYS 128 3HG LYS 128 5.999 5.167 -10.442 957 HD2 LYS 128 2HD LYS 128 6.887 6.972 -8.981 958 HD3 LYS 128 3HD LYS 128 8.506 6.266 -9.061 959 HE2 LYS 128 2HE LYS 128 8.471 6.568 -11.572 960 HE3 LYS 128 3HE LYS 128 6.900 7.366 -11.427 961 HZ1 LYS 128 3HZ LYS 128 9.402 8.296 -10.170 962 HZ2 LYS 128 1HZ LYS 128 8.693 8.950 -11.487 963 HZ3 LYS 128 2HZ LYS 128 7.951 9.032 -10.035 964 H ARG 129 H ARG 129 8.656 1.874 -8.365 965 HA ARG 129 HA ARG 129 9.581 1.868 -11.024 966 HB2 ARG 129 2HB ARG 129 10.662 0.704 -8.457 967 HB3 ARG 129 3HB ARG 129 11.485 0.515 -10.011 968 HG2 ARG 129 2HG ARG 129 11.616 2.979 -10.251 969 HG3 ARG 129 3HG ARG 129 10.773 3.180 -8.709 970 HD2 ARG 129 2HD ARG 129 12.599 2.064 -7.540 971 HD3 ARG 129 3HD ARG 129 13.434 1.787 -9.075 972 HE ARG 129 HE ARG 129 12.964 4.567 -8.807 973 HH11 ARG 129 1HH1 ARG 129 14.863 2.044 -7.264 974 HH12 ARG 129 2HH1 ARG 129 16.136 3.125 -6.805 975 HH21 ARG 129 1HH2 ARG 129 14.596 5.941 -8.201 976 HH22 ARG 129 2HH2 ARG 129 15.984 5.363 -7.341 977 H HIS 130 H HIS 130 8.097 -0.673 -8.935 978 HA HIS 130 HA HIS 130 8.819 -2.810 -10.672 979 HB2 HIS 130 2HB HIS 130 8.310 -3.130 -8.275 980 HB3 HIS 130 3HB HIS 130 6.662 -2.536 -8.519 981 HD2 HIS 130 HD2 HIS 130 4.838 -4.476 -9.242 982 HE1 HIS 130 HE1 HIS 130 7.659 -7.588 -10.073 983 H VAL 131 H VAL 131 5.720 -0.925 -10.155 984 HA VAL 131 HA VAL 131 4.339 -2.580 -11.994 985 HB VAL 131 HB VAL 131 3.668 0.124 -10.727 986 HG11 VAL 131 1HG1 VAL 131 1.338 -0.314 -11.440 987 HG12 VAL 131 2HG1 VAL 131 2.446 -0.143 -12.843 988 HG13 VAL 131 3HG1 VAL 131 1.889 -1.772 -12.331 989 HG21 VAL 131 3HG2 VAL 131 3.876 -1.735 -9.132 990 HG22 VAL 131 1HG2 VAL 131 2.161 -1.229 -9.304 991 HG23 VAL 131 2HG2 VAL 131 2.742 -2.722 -10.115 992 H GLU 132 H GLU 132 5.910 0.689 -12.181 993 HA GLU 132 HA GLU 132 4.785 1.518 -14.578 994 HB2 GLU 132 2HB GLU 132 6.139 2.917 -13.022 995 HB3 GLU 132 3HB GLU 132 7.590 2.006 -13.461 996 HG2 GLU 132 2HG GLU 132 7.440 2.811 -15.789 997 HG3 GLU 132 3HG GLU 132 5.916 3.637 -15.436 998 H SER 133 H SER 133 7.374 -0.885 -13.948 999 HA SER 133 HA SER 133 8.487 -0.707 -16.578 1000 HB2 SER 133 2HB SER 133 9.834 -2.572 -15.871 1001 HB3 SER 133 3HB SER 133 9.718 -1.433 -14.523 1002 HG SER 133 HG SER 133 8.026 -2.773 -13.629 1003 H HIS 134 H HIS 134 5.478 -1.865 -15.531 1004 HA HIS 134 HA HIS 134 5.509 -4.238 -17.220 1005 HB2 HIS 134 2HB HIS 134 3.330 -2.960 -15.494 1006 HB3 HIS 134 3HB HIS 134 3.163 -4.484 -16.376 1007 HD2 HIS 134 HD2 HIS 134 6.518 -5.128 -15.220 1008 HE1 HIS 134 HE1 HIS 134 4.206 -5.813 -11.683 1009 H LEU 135 H LEU 135 5.409 -1.016 -17.937 1010 HA LEU 135 HA LEU 135 3.932 -1.639 -20.373 1011 HB2 LEU 135 2HB LEU 135 2.237 -0.605 -18.916 1012 HB3 LEU 135 3HB LEU 135 3.327 0.737 -18.545 1013 HG LEU 135 HG LEU 135 3.271 1.413 -20.977 1014 HD11 LEU 135 1HD1 LEU 135 1.530 0.428 -22.420 1015 HD12 LEU 135 2HD1 LEU 135 2.747 -0.797 -21.926 1016 HD13 LEU 135 3HD1 LEU 135 1.135 -0.763 -21.135 1017 HD21 LEU 135 3HD2 LEU 135 1.793 2.450 -19.296 1018 HD22 LEU 135 1HD2 LEU 135 0.971 2.314 -20.886 1019 HD23 LEU 135 2HD2 LEU 135 0.571 1.162 -19.568 1020 H GLU 136 H GLU 136 5.389 -1.240 -21.979 1021 HA GLU 136 HA GLU 136 7.554 0.610 -21.492 1022 HB2 GLU 136 2HB GLU 136 6.756 -1.092 -23.901 1023 HB3 GLU 136 3HB GLU 136 8.217 -0.100 -23.817 1024 HG2 GLU 136 2HG GLU 136 8.998 -1.444 -21.850 1025 HG3 GLU 136 3HG GLU 136 7.550 -2.451 -21.977 1026 H HIS 137 H HIS 137 7.979 2.555 -22.687 1027 HA HIS 137 HA HIS 137 5.735 3.483 -24.354 1028 HB2 HIS 137 2HB HIS 137 7.281 5.065 -22.240 1029 HB3 HIS 137 3HB HIS 137 6.163 5.778 -23.410 1030 HD2 HIS 137 HD2 HIS 137 6.086 4.027 -19.965 1031 HE1 HIS 137 HE1 HIS 137 2.030 4.442 -21.274 1032 H HIS 138 H HIS 138 9.259 3.618 -23.517 1033 HA HIS 138 HA HIS 138 9.703 4.643 -26.247 1034 HB2 HIS 138 2HB HIS 138 11.268 5.313 -23.704 1035 HB3 HIS 138 3HB HIS 138 11.690 5.837 -25.340 1036 HD2 HIS 138 HD2 HIS 138 9.245 6.800 -22.452 1037 HE1 HIS 138 HE1 HIS 138 8.577 9.494 -25.711 Start of MODEL 11 1 H1 MET 1 1H MET 1 -0.962 13.386 14.507 2 H2 MET 1 2H MET 1 -2.227 12.845 13.628 3 H3 MET 1 3H MET 1 -0.980 11.846 13.966 4 HA MET 1 HA MET 1 -0.882 14.240 12.300 5 HB2 MET 1 2HB MET 1 1.211 13.884 13.535 6 HB3 MET 1 3HB MET 1 1.253 12.186 13.043 7 HG2 MET 1 2HG MET 1 2.819 13.448 11.688 8 HG3 MET 1 3HG MET 1 1.494 12.881 10.663 9 HE1 MET 1 3HE MET 1 3.234 15.741 12.451 10 HE2 MET 1 1HE MET 1 2.382 17.233 11.927 11 HE3 MET 1 2HE MET 1 1.636 16.157 13.157 12 H ASN 2 H ASN 2 -1.828 13.885 10.333 13 HA ASN 2 HA ASN 2 -1.874 11.143 9.323 14 HB2 ASN 2 2HB ASN 2 -3.203 13.707 8.370 15 HB3 ASN 2 3HB ASN 2 -3.309 12.154 7.530 16 HD21 ASN 2 1HD2 ASN 2 -4.849 14.157 9.591 17 HD22 ASN 2 2HD2 ASN 2 -5.926 13.024 10.337 18 H ILE 3 H ILE 3 -0.492 10.434 7.724 19 HA ILE 3 HA ILE 3 1.169 12.499 6.466 20 HB ILE 3 HB ILE 3 1.630 9.498 6.850 21 HG12 ILE 3 2HG1 ILE 3 3.128 11.882 8.029 22 HG13 ILE 3 3HG1 ILE 3 1.836 11.022 8.876 23 HG21 ILE 3 1HG2 ILE 3 3.876 9.927 5.911 24 HG22 ILE 3 2HG2 ILE 3 2.576 10.278 4.723 25 HG23 ILE 3 3HG2 ILE 3 3.405 11.626 5.571 26 HD11 ILE 3 3HD1 ILE 3 4.456 9.795 7.905 27 HD12 ILE 3 1HD1 ILE 3 4.044 10.233 9.598 28 HD13 ILE 3 2HD1 ILE 3 3.143 8.921 8.765 29 H THR 4 H THR 4 1.080 12.796 4.236 30 HA THR 4 HA THR 4 -0.470 10.786 2.752 31 HB THR 4 HB THR 4 -0.199 13.801 2.275 32 HG1 THR 4 HG1 THR 4 -2.589 12.236 2.781 33 HG21 THR 4 3HG2 THR 4 -1.732 11.668 0.708 34 HG22 THR 4 1HG2 THR 4 -1.805 13.439 0.422 35 HG23 THR 4 2HG2 THR 4 -0.270 12.548 0.149 36 H VAL 5 H VAL 5 0.536 9.823 0.983 37 HA VAL 5 HA VAL 5 2.900 11.201 -0.074 38 HB VAL 5 HB VAL 5 3.942 8.934 -0.429 39 HG11 VAL 5 1HG1 VAL 5 4.673 8.631 1.917 40 HG12 VAL 5 2HG1 VAL 5 4.632 10.364 1.447 41 HG13 VAL 5 3HG1 VAL 5 3.323 9.679 2.468 42 HG21 VAL 5 3HG2 VAL 5 1.897 7.574 -0.310 43 HG22 VAL 5 1HG2 VAL 5 3.100 7.026 0.906 44 HG23 VAL 5 2HG2 VAL 5 1.690 8.013 1.419 45 H GLU 6 H GLU 6 3.415 10.559 -2.369 46 HA GLU 6 HA GLU 6 1.112 9.405 -3.771 47 HB2 GLU 6 2HB GLU 6 2.380 12.132 -4.322 48 HB3 GLU 6 3HB GLU 6 1.284 11.299 -5.433 49 HG2 GLU 6 2HG GLU 6 -0.515 11.361 -3.700 50 HG3 GLU 6 3HG GLU 6 0.580 12.201 -2.595 51 H THR 7 H THR 7 1.677 8.257 -5.659 52 HA THR 7 HA THR 7 4.282 8.869 -6.800 53 HB THR 7 HB THR 7 3.324 6.044 -6.108 54 HG1 THR 7 HG1 THR 7 5.588 6.178 -5.065 55 HG21 THR 7 3HG2 THR 7 5.794 6.983 -7.648 56 HG22 THR 7 1HG2 THR 7 5.444 5.293 -7.151 57 HG23 THR 7 2HG2 THR 7 4.379 6.119 -8.338 58 H THR 8 H THR 8 4.200 8.936 -9.058 59 HA THR 8 HA THR 8 1.619 8.167 -10.211 60 HB THR 8 HB THR 8 3.814 10.064 -11.193 61 HG1 THR 8 HG1 THR 8 2.094 11.643 -10.837 62 HG21 THR 8 3HG2 THR 8 1.106 9.359 -12.430 63 HG22 THR 8 1HG2 THR 8 2.227 10.638 -13.009 64 HG23 THR 8 2HG2 THR 8 2.719 8.912 -13.083 65 H VAL 9 H VAL 9 1.520 6.382 -11.549 66 HA VAL 9 HA VAL 9 4.097 5.406 -12.576 67 HB VAL 9 HB VAL 9 3.216 3.110 -12.308 68 HG11 VAL 9 1HG1 VAL 9 3.269 2.994 -9.835 69 HG12 VAL 9 2HG1 VAL 9 4.532 4.097 -10.480 70 HG13 VAL 9 3HG1 VAL 9 3.037 4.773 -9.751 71 HG21 VAL 9 3HG2 VAL 9 0.821 3.601 -12.562 72 HG22 VAL 9 1HG2 VAL 9 1.133 2.709 -11.034 73 HG23 VAL 9 2HG2 VAL 9 0.822 4.478 -10.994 74 H ALA 10 H ALA 10 4.076 4.427 -14.703 75 HA ALA 10 HA ALA 10 1.865 5.316 -16.354 76 HB1 ALA 10 3HB ALA 10 4.482 3.865 -16.987 77 HB2 ALA 10 1HB ALA 10 3.318 4.502 -18.197 78 HB3 ALA 10 2HB ALA 10 4.189 5.632 -17.106 79 H ALA 11 H ALA 11 0.227 3.847 -15.294 80 HA ALA 11 HA ALA 11 0.041 1.432 -16.854 81 HB1 ALA 11 3HB ALA 11 0.239 1.312 -13.803 82 HB2 ALA 11 1HB ALA 11 -0.242 -0.045 -14.877 83 HB3 ALA 11 2HB ALA 11 1.419 0.631 -14.974 84 HA PRO 12 HA PRO 12 -4.219 2.481 -16.507 85 HB2 PRO 12 2HB PRO 12 -5.354 -0.052 -16.834 86 HB3 PRO 12 3HB PRO 12 -4.640 0.829 -18.191 87 HG2 PRO 12 2HG PRO 12 -3.403 -1.341 -16.464 88 HG3 PRO 12 3HG PRO 12 -3.362 -1.165 -18.223 89 HD2 PRO 12 2HD PRO 12 -1.234 -0.409 -16.725 90 HD3 PRO 12 3HD PRO 12 -1.695 0.531 -18.151 91 H VAL 13 H VAL 13 -6.068 2.478 -15.167 92 HA VAL 13 HA VAL 13 -5.201 2.513 -12.538 93 HB VAL 13 HB VAL 13 -8.012 2.540 -13.741 94 HG11 VAL 13 1HG1 VAL 13 -8.759 3.463 -11.568 95 HG12 VAL 13 2HG1 VAL 13 -8.124 1.791 -11.401 96 HG13 VAL 13 3HG1 VAL 13 -7.118 3.189 -10.892 97 HG21 VAL 13 3HG2 VAL 13 -6.568 4.414 -14.411 98 HG22 VAL 13 1HG2 VAL 13 -7.865 4.972 -13.301 99 HG23 VAL 13 2HG2 VAL 13 -6.190 4.755 -12.689 100 H GLY 14 H GLY 14 -7.091 0.004 -14.365 101 HA2 GLY 14 2HA GLY 14 -7.979 -1.440 -12.136 102 HA3 GLY 14 3HA GLY 14 -7.776 -2.047 -13.784 103 H LYS 15 H LYS 15 -4.977 -1.855 -14.192 104 HA LYS 15 HA LYS 15 -4.096 -4.122 -12.740 105 HB2 LYS 15 2HB LYS 15 -2.725 -2.116 -14.586 106 HB3 LYS 15 3HB LYS 15 -1.878 -3.495 -13.873 107 HG2 LYS 15 2HG LYS 15 -3.549 -5.037 -14.968 108 HG3 LYS 15 3HG LYS 15 -4.295 -3.634 -15.743 109 HD2 LYS 15 2HD LYS 15 -2.088 -3.079 -16.820 110 HD3 LYS 15 3HD LYS 15 -1.378 -4.517 -16.075 111 HE2 LYS 15 2HE LYS 15 -3.037 -5.959 -17.267 112 HE3 LYS 15 3HE LYS 15 -3.757 -4.523 -18.006 113 HZ1 LYS 15 3HZ LYS 15 -0.973 -5.419 -18.390 114 HZ2 LYS 15 1HZ LYS 15 -2.187 -5.578 -19.471 115 HZ3 LYS 15 2HZ LYS 15 -1.638 -4.093 -19.073 116 H VAL 16 H VAL 16 -3.522 -0.556 -12.416 117 HA VAL 16 HA VAL 16 -1.418 -0.758 -10.596 118 HB VAL 16 HB VAL 16 -3.555 1.375 -11.066 119 HG11 VAL 16 1HG1 VAL 16 -2.131 2.899 -9.732 120 HG12 VAL 16 2HG1 VAL 16 -2.767 1.542 -8.742 121 HG13 VAL 16 3HG1 VAL 16 -1.062 1.519 -9.306 122 HG21 VAL 16 3HG2 VAL 16 -1.986 0.997 -12.919 123 HG22 VAL 16 1HG2 VAL 16 -1.682 2.585 -12.138 124 HG23 VAL 16 2HG2 VAL 16 -0.596 1.195 -11.799 125 H TRP 17 H TRP 17 -5.027 -0.512 -10.081 126 HA TRP 17 HA TRP 17 -4.883 -0.434 -7.275 127 HB2 TRP 17 2HB TRP 17 -6.873 0.196 -8.639 128 HB3 TRP 17 3HB TRP 17 -7.059 -1.484 -9.158 129 HD1 TRP 17 HD1 TRP 17 -7.601 0.811 -6.100 130 HE1 TRP 17 HE1 TRP 17 -9.069 -0.439 -4.377 131 HE3 TRP 17 HE3 TRP 17 -7.670 -3.830 -8.309 132 HZ2 TRP 17 HZ2 TRP 17 -10.121 -3.020 -3.995 133 HZ3 TRP 17 HZ3 TRP 17 -8.931 -5.654 -7.197 134 HH2 TRP 17 HH2 TRP 17 -10.143 -5.254 -5.069 135 H ARG 18 H ARG 18 -5.154 -3.211 -9.620 136 HA ARG 18 HA ARG 18 -5.562 -5.136 -7.605 137 HB2 ARG 18 2HB ARG 18 -4.669 -5.286 -10.480 138 HB3 ARG 18 3HB ARG 18 -4.747 -6.719 -9.446 139 HG2 ARG 18 2HG ARG 18 -7.150 -6.319 -9.039 140 HG3 ARG 18 3HG ARG 18 -7.087 -4.849 -10.019 141 HD2 ARG 18 2HD ARG 18 -6.473 -6.177 -11.984 142 HD3 ARG 18 3HD ARG 18 -6.517 -7.651 -11.007 143 HE ARG 18 HE ARG 18 -9.026 -6.402 -10.749 144 HH11 ARG 18 1HH1 ARG 18 -7.098 -7.849 -13.307 145 HH12 ARG 18 2HH1 ARG 18 -8.480 -8.389 -14.201 146 HH21 ARG 18 1HH2 ARG 18 -10.787 -7.088 -11.912 147 HH22 ARG 18 2HH2 ARG 18 -10.599 -7.952 -13.401 148 H ALA 19 H ALA 19 -2.576 -3.809 -9.176 149 HA ALA 19 HA ALA 19 -0.843 -5.728 -8.021 150 HB1 ALA 19 3HB ALA 19 -0.353 -2.887 -9.040 151 HB2 ALA 19 1HB ALA 19 0.916 -4.107 -8.684 152 HB3 ALA 19 2HB ALA 19 -0.261 -4.397 -10.009 153 H TYR 20 H TYR 20 -2.181 -2.578 -6.883 154 HA TYR 20 HA TYR 20 -0.325 -2.228 -4.786 155 HB2 TYR 20 2HB TYR 20 -1.739 -0.420 -5.700 156 HB3 TYR 20 3HB TYR 20 -3.200 -1.258 -5.161 157 HD1 TYR 20 HD1 TYR 20 -0.045 0.331 -3.896 158 HD2 TYR 20 HD2 TYR 20 -4.048 -0.920 -2.980 159 HE1 TYR 20 HE1 TYR 20 0.099 1.485 -1.711 160 HE2 TYR 20 HE2 TYR 20 -3.912 0.231 -0.794 161 HH TYR 20 HH TYR 20 -1.210 2.353 0.006 162 H THR 21 H THR 21 -3.145 -4.351 -5.177 163 HA THR 21 HA THR 21 -3.117 -4.802 -2.271 164 HB THR 21 HB THR 21 -5.474 -5.602 -2.566 165 HG1 THR 21 HG1 THR 21 -5.300 -4.404 -5.206 166 HG21 THR 21 3HG2 THR 21 -4.940 -2.771 -3.591 167 HG22 THR 21 1HG2 THR 21 -6.490 -3.368 -2.908 168 HG23 THR 21 2HG2 THR 21 -5.027 -3.278 -1.870 169 H THR 22 H THR 22 -1.574 -6.085 -4.743 170 HA THR 22 HA THR 22 -2.419 -8.831 -4.301 171 HB THR 22 HB THR 22 -0.210 -7.600 -6.030 172 HG1 THR 22 HG1 THR 22 -2.234 -7.197 -6.949 173 HG21 THR 22 3HG2 THR 22 -1.190 -10.490 -5.827 174 HG22 THR 22 1HG2 THR 22 -0.006 -9.861 -7.022 175 HG23 THR 22 2HG2 THR 22 0.402 -9.868 -5.273 176 HA PRO 23 HA PRO 23 0.395 -9.100 -0.870 177 HB2 PRO 23 2HB PRO 23 0.250 -11.898 -0.629 178 HB3 PRO 23 3HB PRO 23 -1.010 -10.825 -0.005 179 HG2 PRO 23 2HG PRO 23 -0.921 -12.337 -2.635 180 HG3 PRO 23 3HG PRO 23 -2.269 -12.149 -1.506 181 HD2 PRO 23 2HD PRO 23 -2.167 -10.634 -3.741 182 HD3 PRO 23 3HD PRO 23 -2.740 -9.923 -2.227 183 H GLU 24 H GLU 24 0.854 -11.267 -3.737 184 HA GLU 24 HA GLU 24 3.515 -11.895 -3.140 185 HB2 GLU 24 2HB GLU 24 1.919 -11.667 -5.726 186 HB3 GLU 24 3HB GLU 24 3.619 -12.154 -5.714 187 HG2 GLU 24 2HG GLU 24 1.364 -13.595 -4.233 188 HG3 GLU 24 3HG GLU 24 2.049 -14.092 -5.786 189 H ASP 25 H ASP 25 2.019 -9.001 -4.702 190 HA ASP 25 HA ASP 25 4.563 -7.944 -5.506 191 HB2 ASP 25 2HB ASP 25 1.726 -6.836 -5.329 192 HB3 ASP 25 3HB ASP 25 3.103 -5.845 -5.829 193 H ILE 26 H ILE 26 2.243 -7.400 -2.749 194 HA ILE 26 HA ILE 26 3.453 -5.062 -1.860 195 HB ILE 26 HB ILE 26 1.790 -7.203 -0.453 196 HG12 ILE 26 2HG1 ILE 26 1.085 -4.338 -1.226 197 HG13 ILE 26 3HG1 ILE 26 0.827 -5.713 -2.306 198 HG21 ILE 26 1HG2 ILE 26 1.503 -5.592 1.400 199 HG22 ILE 26 2HG2 ILE 26 3.213 -6.112 1.224 200 HG23 ILE 26 3HG2 ILE 26 2.700 -4.497 0.628 201 HD11 ILE 26 3HD1 ILE 26 -0.394 -5.374 0.470 202 HD12 ILE 26 1HD1 ILE 26 -1.231 -5.137 -1.101 203 HD13 ILE 26 2HD1 ILE 26 -0.657 -6.771 -0.627 204 H LYS 27 H LYS 27 4.062 -8.546 -0.989 205 HA LYS 27 HA LYS 27 5.666 -7.997 1.245 206 HB2 LYS 27 2HB LYS 27 6.253 -10.312 1.141 207 HB3 LYS 27 3HB LYS 27 4.562 -10.183 0.642 208 HG2 LYS 27 2HG LYS 27 5.303 -10.304 -1.766 209 HG3 LYS 27 3HG LYS 27 6.967 -10.535 -1.214 210 HD2 LYS 27 2HD LYS 27 6.185 -12.568 0.100 211 HD3 LYS 27 3HD LYS 27 4.583 -12.365 -0.620 212 HE2 LYS 27 2HE LYS 27 5.639 -12.536 -2.914 213 HE3 LYS 27 3HE LYS 27 7.198 -12.849 -2.140 214 HZ1 LYS 27 3HZ LYS 27 4.817 -14.548 -2.177 215 HZ2 LYS 27 1HZ LYS 27 6.361 -14.931 -2.543 216 HZ3 LYS 27 2HZ LYS 27 5.918 -14.727 -0.985 217 H GLN 28 H GLN 28 6.312 -7.654 -2.199 218 HA GLN 28 HA GLN 28 9.179 -7.970 -1.836 219 HB2 GLN 28 2HB GLN 28 7.390 -7.280 -4.215 220 HB3 GLN 28 3HB GLN 28 9.156 -7.306 -4.308 221 HG2 GLN 28 2HG GLN 28 9.131 -9.715 -3.603 222 HG3 GLN 28 3HG GLN 28 7.363 -9.673 -3.589 223 HE21 GLN 28 1HE2 GLN 28 6.260 -9.974 -5.472 224 HE22 GLN 28 2HE2 GLN 28 6.992 -10.132 -7.033 225 H TRP 29 H TRP 29 6.725 -5.404 -1.821 226 HA TRP 29 HA TRP 29 8.596 -3.390 -2.735 227 HB2 TRP 29 2HB TRP 29 5.706 -3.272 -1.741 228 HB3 TRP 29 3HB TRP 29 6.615 -1.879 -2.342 229 HD1 TRP 29 HD1 TRP 29 7.958 -4.056 -4.701 230 HE1 TRP 29 HE1 TRP 29 6.520 -4.350 -6.830 231 HE3 TRP 29 HE3 TRP 29 3.469 -2.337 -2.883 232 HZ2 TRP 29 HZ2 TRP 29 3.860 -3.923 -7.637 233 HZ3 TRP 29 HZ3 TRP 29 1.498 -2.312 -4.406 234 HH2 TRP 29 HH2 TRP 29 1.682 -3.088 -6.720 235 H ASN 30 H ASN 30 7.965 -4.946 0.263 236 HA ASN 30 HA ASN 30 7.927 -3.103 2.193 237 HB2 ASN 30 2HB ASN 30 8.199 -5.540 2.517 238 HB3 ASN 30 3HB ASN 30 9.891 -5.420 2.016 239 HD21 ASN 30 1HD2 ASN 30 9.043 -6.453 4.454 240 HD22 ASN 30 2HD2 ASN 30 9.709 -5.458 5.705 241 H ALA 31 H ALA 31 9.290 -1.526 3.150 242 HA ALA 31 HA ALA 31 11.004 -0.369 1.153 243 HB1 ALA 31 3HB ALA 31 10.210 0.518 3.970 244 HB2 ALA 31 1HB ALA 31 11.083 1.521 2.762 245 HB3 ALA 31 2HB ALA 31 9.399 0.987 2.438 246 H ALA 32 H ALA 32 11.504 -2.574 3.785 247 HA ALA 32 HA ALA 32 14.083 -1.464 4.519 248 HB1 ALA 32 3HB ALA 32 12.589 -3.994 5.369 249 HB2 ALA 32 1HB ALA 32 14.114 -3.384 6.095 250 HB3 ALA 32 2HB ALA 32 12.603 -2.423 6.239 251 H SER 33 H SER 33 15.553 -3.870 4.987 252 HA SER 33 HA SER 33 16.682 -4.010 2.357 253 HB2 SER 33 2HB SER 33 18.471 -5.161 3.440 254 HB3 SER 33 3HB SER 33 17.942 -3.894 4.555 255 HG SER 33 HG SER 33 16.739 -5.470 5.725 256 H ASP 34 H ASP 34 16.976 -5.888 1.022 257 HA ASP 34 HA ASP 34 14.993 -7.962 1.369 258 HB2 ASP 34 2HB ASP 34 17.209 -7.423 -0.658 259 HB3 ASP 34 3HB ASP 34 16.205 -8.879 -0.701 260 H ASP 35 H ASP 35 17.797 -7.388 3.042 261 HA ASP 35 HA ASP 35 18.870 -10.106 2.669 262 HB2 ASP 35 2HB ASP 35 20.156 -7.561 3.773 263 HB3 ASP 35 3HB ASP 35 20.948 -9.138 3.657 264 H TRP 36 H TRP 36 18.181 -7.584 5.234 265 HA TRP 36 HA TRP 36 18.483 -9.727 7.221 266 HB2 TRP 36 2HB TRP 36 18.476 -6.675 7.404 267 HB3 TRP 36 3HB TRP 36 18.503 -7.739 8.816 268 HD1 TRP 36 HD1 TRP 36 20.763 -6.204 6.196 269 HE1 TRP 36 HE1 TRP 36 23.203 -6.970 6.585 270 HE3 TRP 36 HE3 TRP 36 19.902 -9.907 9.654 271 HZ2 TRP 36 HZ2 TRP 36 24.579 -8.870 8.137 272 HZ3 TRP 36 HZ3 TRP 36 21.849 -11.168 10.558 273 HH2 TRP 36 HH2 TRP 36 24.129 -10.665 9.825 274 H HIS 37 H HIS 37 16.011 -8.722 5.335 275 HA HIS 37 HA HIS 37 14.104 -9.109 7.536 276 HB2 HIS 37 2HB HIS 37 13.866 -7.068 5.270 277 HB3 HIS 37 3HB HIS 37 12.578 -7.477 6.411 278 HD2 HIS 37 HD2 HIS 37 12.807 -6.301 8.957 279 HE1 HIS 37 HE1 HIS 37 16.384 -4.108 8.110 280 H THR 38 H THR 38 12.727 -10.806 7.110 281 HA THR 38 HA THR 38 12.330 -11.471 4.278 282 HB THR 38 HB THR 38 11.890 -13.137 6.813 283 HG1 THR 38 HG1 THR 38 13.647 -14.395 5.857 284 HG21 THR 38 3HG2 THR 38 11.535 -13.864 3.863 285 HG22 THR 38 1HG2 THR 38 11.409 -14.999 5.249 286 HG23 THR 38 2HG2 THR 38 10.221 -13.663 5.071 287 H THR 39 H THR 39 10.230 -11.421 3.391 288 HA THR 39 HA THR 39 8.157 -10.478 5.245 289 HB THR 39 HB THR 39 8.764 -9.342 2.464 290 HG1 THR 39 HG1 THR 39 9.979 -7.892 3.492 291 HG21 THR 39 3HG2 THR 39 6.767 -8.501 4.623 292 HG22 THR 39 1HG2 THR 39 7.070 -7.640 3.076 293 HG23 THR 39 2HG2 THR 39 6.369 -9.293 3.061 294 H ALA 40 H ALA 40 6.108 -11.393 4.906 295 HA ALA 40 HA ALA 40 5.496 -12.323 2.209 296 HB1 ALA 40 3HB ALA 40 5.201 -14.039 4.723 297 HB2 ALA 40 1HB ALA 40 4.551 -14.441 3.097 298 HB3 ALA 40 2HB ALA 40 6.326 -14.339 3.355 299 H ALA 41 H ALA 41 3.234 -12.250 1.709 300 HA ALA 41 HA ALA 41 1.570 -11.049 3.814 301 HB1 ALA 41 3HB ALA 41 1.974 -9.995 0.970 302 HB2 ALA 41 1HB ALA 41 0.764 -9.388 2.151 303 HB3 ALA 41 2HB ALA 41 2.518 -9.202 2.487 304 H THR 42 H THR 42 -0.682 -11.536 3.653 305 HA THR 42 HA THR 42 -1.493 -12.757 1.120 306 HB THR 42 HB THR 42 -2.362 -13.670 3.913 307 HG1 THR 42 HG1 THR 42 -1.341 -15.677 3.193 308 HG21 THR 42 3HG2 THR 42 -3.187 -14.641 1.133 309 HG22 THR 42 1HG2 THR 42 -3.669 -15.386 2.694 310 HG23 THR 42 2HG2 THR 42 -4.216 -13.726 2.285 311 H VAL 43 H VAL 43 -3.396 -11.873 0.270 312 HA VAL 43 HA VAL 43 -4.830 -10.035 2.055 313 HB VAL 43 HB VAL 43 -4.016 -9.556 -0.857 314 HG11 VAL 43 1HG1 VAL 43 -5.067 -7.335 -0.561 315 HG12 VAL 43 2HG1 VAL 43 -6.256 -8.668 -0.378 316 HG13 VAL 43 3HG1 VAL 43 -5.624 -7.822 1.075 317 HG21 VAL 43 3HG2 VAL 43 -2.158 -9.250 0.723 318 HG22 VAL 43 1HG2 VAL 43 -2.710 -7.670 0.073 319 HG23 VAL 43 2HG2 VAL 43 -3.178 -8.171 1.733 320 H ASP 44 H ASP 44 -7.044 -10.403 2.082 321 HA ASP 44 HA ASP 44 -8.213 -11.964 -0.084 322 HB2 ASP 44 2HB ASP 44 -8.806 -12.396 2.305 323 HB3 ASP 44 3HB ASP 44 -9.420 -10.744 2.447 324 H LEU 45 H LEU 45 -8.995 -10.978 -1.906 325 HA LEU 45 HA LEU 45 -9.120 -8.080 -1.895 326 HB2 LEU 45 2HB LEU 45 -9.376 -10.235 -4.044 327 HB3 LEU 45 3HB LEU 45 -9.581 -8.510 -4.377 328 HG LEU 45 HG LEU 45 -7.033 -9.812 -3.281 329 HD11 LEU 45 1HD1 LEU 45 -6.106 -9.281 -5.504 330 HD12 LEU 45 2HD1 LEU 45 -7.496 -10.412 -5.622 331 HD13 LEU 45 3HD1 LEU 45 -7.713 -8.677 -6.032 332 HD21 LEU 45 3HD2 LEU 45 -7.366 -7.502 -2.477 333 HD22 LEU 45 1HD2 LEU 45 -6.034 -7.584 -3.680 334 HD23 LEU 45 2HD2 LEU 45 -7.643 -6.949 -4.164 335 H ARG 46 H ARG 46 -11.031 -7.754 -0.516 336 HA ARG 46 HA ARG 46 -13.294 -7.424 -2.196 337 HB2 ARG 46 2HB ARG 46 -14.917 -8.722 -0.990 338 HB3 ARG 46 3HB ARG 46 -13.678 -9.763 -1.703 339 HG2 ARG 46 2HG ARG 46 -12.551 -9.880 0.545 340 HG3 ARG 46 3HG ARG 46 -13.887 -8.941 1.225 341 HD2 ARG 46 2HD ARG 46 -15.462 -10.668 0.721 342 HD3 ARG 46 3HD ARG 46 -14.263 -11.568 -0.218 343 HE ARG 46 HE ARG 46 -13.303 -12.353 1.760 344 HH11 ARG 46 1HH1 ARG 46 -15.756 -9.951 2.517 345 HH12 ARG 46 2HH1 ARG 46 -15.838 -10.395 4.189 346 HH21 ARG 46 1HH2 ARG 46 -13.410 -12.900 3.908 347 HH22 ARG 46 2HH2 ARG 46 -14.492 -12.087 4.989 348 H GLU 47 H GLU 47 -14.914 -6.005 -1.206 349 HA GLU 47 HA GLU 47 -13.964 -4.304 0.832 350 HB2 GLU 47 2HB GLU 47 -15.683 -3.765 -0.939 351 HB3 GLU 47 3HB GLU 47 -16.830 -4.816 -0.098 352 HG2 GLU 47 2HG GLU 47 -16.885 -3.371 1.836 353 HG3 GLU 47 3HG GLU 47 -15.490 -2.442 1.272 354 H GLY 48 H GLY 48 -13.956 -4.525 3.053 355 HA2 GLY 48 2HA GLY 48 -14.687 -5.317 5.087 356 HA3 GLY 48 3HA GLY 48 -15.785 -6.441 4.275 357 H GLY 49 H GLY 49 -13.027 -6.927 2.506 358 HA2 GLY 49 2HA GLY 49 -12.536 -9.416 3.800 359 HA3 GLY 49 3HA GLY 49 -11.685 -8.731 2.409 360 H ALA 50 H ALA 50 -10.461 -10.186 4.667 361 HA ALA 50 HA ALA 50 -9.096 -8.038 6.122 362 HB1 ALA 50 3HB ALA 50 -9.123 -11.077 6.472 363 HB2 ALA 50 1HB ALA 50 -8.256 -9.909 7.525 364 HB3 ALA 50 2HB ALA 50 -10.050 -9.885 7.444 365 H PHE 51 H PHE 51 -6.733 -7.982 6.248 366 HA PHE 51 HA PHE 51 -5.337 -9.769 4.401 367 HB2 PHE 51 2HB PHE 51 -4.037 -7.896 3.474 368 HB3 PHE 51 3HB PHE 51 -5.755 -7.734 3.088 369 HD1 PHE 51 HD1 PHE 51 -2.947 -6.374 5.058 370 HD2 PHE 51 HD2 PHE 51 -7.109 -5.957 4.078 371 HE1 PHE 51 HE1 PHE 51 -2.952 -4.097 6.032 372 HE2 PHE 51 HE2 PHE 51 -7.111 -3.681 5.049 373 HZ PHE 51 HZ PHE 51 -5.030 -2.746 6.026 374 H SER 52 H SER 52 -2.961 -9.859 4.861 375 HA SER 52 HA SER 52 -2.169 -8.827 7.458 376 HB2 SER 52 2HB SER 52 -3.427 -10.846 8.061 377 HB3 SER 52 3HB SER 52 -2.528 -11.801 6.874 378 HG SER 52 HG SER 52 -1.108 -10.347 8.880 379 H SER 53 H SER 53 0.115 -8.816 7.735 380 HA SER 53 HA SER 53 1.677 -10.172 5.645 381 HB2 SER 53 2HB SER 53 1.408 -7.834 4.927 382 HB3 SER 53 3HB SER 53 1.942 -7.259 6.512 383 HG SER 53 HG SER 53 3.621 -9.055 5.076 384 H ARG 54 H ARG 54 3.342 -11.344 6.513 385 HA ARG 54 HA ARG 54 4.007 -10.760 9.312 386 HB2 ARG 54 2HB ARG 54 3.133 -13.005 8.837 387 HB3 ARG 54 3HB ARG 54 4.457 -13.284 7.699 388 HG2 ARG 54 2HG ARG 54 6.089 -12.952 9.580 389 HG3 ARG 54 3HG ARG 54 4.726 -12.790 10.695 390 HD2 ARG 54 2HD ARG 54 3.990 -15.046 10.178 391 HD3 ARG 54 3HD ARG 54 5.276 -15.218 8.977 392 HE ARG 54 HE ARG 54 6.843 -15.491 10.692 393 HH11 ARG 54 1HH1 ARG 54 3.710 -14.679 12.063 394 HH12 ARG 54 2HH1 ARG 54 4.151 -15.182 13.661 395 HH21 ARG 54 1HH2 ARG 54 7.396 -16.122 12.746 396 HH22 ARG 54 2HH2 ARG 54 6.267 -16.010 14.054 397 H MET 55 H MET 55 5.958 -9.833 9.788 398 HA MET 55 HA MET 55 8.091 -10.139 7.765 399 HB2 MET 55 2HB MET 55 7.478 -7.802 9.635 400 HB3 MET 55 3HB MET 55 8.923 -7.936 8.625 401 HG2 MET 55 2HG MET 55 7.506 -7.944 6.583 402 HG3 MET 55 3HG MET 55 6.052 -7.834 7.585 403 HE1 MET 55 3HE MET 55 5.153 -5.681 6.411 404 HE2 MET 55 1HE MET 55 6.152 -4.227 6.076 405 HE3 MET 55 2HE MET 55 6.532 -5.784 5.266 406 H GLU 56 H GLU 56 10.065 -10.928 8.483 407 HA GLU 56 HA GLU 56 10.446 -11.033 11.403 408 HB2 GLU 56 2HB GLU 56 10.961 -13.228 9.342 409 HB3 GLU 56 3HB GLU 56 11.595 -13.253 10.993 410 HG2 GLU 56 2HG GLU 56 9.248 -13.197 11.876 411 HG3 GLU 56 3HG GLU 56 8.637 -13.225 10.216 412 H ALA 57 H ALA 57 12.628 -10.749 12.120 413 HA ALA 57 HA ALA 57 14.438 -9.586 10.210 414 HB1 ALA 57 3HB ALA 57 14.755 -10.385 13.144 415 HB2 ALA 57 1HB ALA 57 15.933 -9.427 12.185 416 HB3 ALA 57 2HB ALA 57 14.299 -8.762 12.525 417 H LYS 58 H LYS 58 16.271 -10.502 9.269 418 HA LYS 58 HA LYS 58 16.236 -13.263 8.852 419 HB2 LYS 58 2HB LYS 58 17.220 -11.595 7.307 420 HB3 LYS 58 3HB LYS 58 18.476 -11.216 8.493 421 HG2 LYS 58 2HG LYS 58 19.469 -12.677 6.871 422 HG3 LYS 58 3HG LYS 58 19.254 -13.629 8.346 423 HD2 LYS 58 2HD LYS 58 17.195 -14.651 7.442 424 HD3 LYS 58 3HD LYS 58 17.274 -13.619 6.008 425 HE2 LYS 58 2HE LYS 58 19.473 -14.647 5.391 426 HE3 LYS 58 3HE LYS 58 19.386 -15.684 6.822 427 HZ1 LYS 58 3HZ LYS 58 17.446 -15.689 4.598 428 HZ2 LYS 58 1HZ LYS 58 18.600 -16.813 4.863 429 HZ3 LYS 58 2HZ LYS 58 17.366 -16.646 5.918 430 H ASP 59 H ASP 59 17.872 -11.267 11.349 431 HA ASP 59 HA ASP 59 19.663 -13.415 12.067 432 HB2 ASP 59 2HB ASP 59 20.474 -11.873 13.740 433 HB3 ASP 59 3HB ASP 59 20.284 -10.997 12.215 434 H GLY 60 H GLY 60 16.321 -12.823 12.609 435 HA2 GLY 60 2HA GLY 60 14.947 -14.287 13.641 436 HA3 GLY 60 3HA GLY 60 16.353 -15.168 14.254 437 H SER 61 H SER 61 16.345 -11.705 14.927 438 HA SER 61 HA SER 61 16.232 -12.361 17.748 439 HB2 SER 61 2HB SER 61 16.963 -10.060 18.042 440 HB3 SER 61 3HB SER 61 17.954 -10.848 16.807 441 HG SER 61 HG SER 61 16.915 -9.726 15.198 442 H MET 62 H MET 62 14.100 -10.957 15.254 443 HA MET 62 HA MET 62 12.003 -10.620 17.211 444 HB2 MET 62 2HB MET 62 11.676 -8.237 16.765 445 HB3 MET 62 3HB MET 62 13.265 -8.520 17.488 446 HG2 MET 62 2HG MET 62 14.255 -8.438 15.143 447 HG3 MET 62 3HG MET 62 12.661 -7.949 14.551 448 HE1 MET 62 3HE MET 62 15.971 -5.920 16.534 449 HE2 MET 62 1HE MET 62 14.843 -5.979 17.930 450 HE3 MET 62 2HE MET 62 15.294 -7.493 17.076 451 H GLY 63 H GLY 63 9.884 -10.096 16.139 452 HA2 GLY 63 2HA GLY 63 9.887 -9.645 13.309 453 HA3 GLY 63 3HA GLY 63 9.362 -11.281 13.726 454 H PHE 64 H PHE 64 7.608 -9.387 12.463 455 HA PHE 64 HA PHE 64 5.786 -8.708 14.679 456 HB2 PHE 64 2HB PHE 64 6.505 -6.960 12.275 457 HB3 PHE 64 3HB PHE 64 5.268 -6.593 13.484 458 HD1 PHE 64 HD1 PHE 64 5.900 -5.971 15.789 459 HD2 PHE 64 HD2 PHE 64 8.870 -6.712 12.773 460 HE1 PHE 64 HE1 PHE 64 7.605 -4.850 17.190 461 HE2 PHE 64 HE2 PHE 64 10.573 -5.594 14.179 462 HZ PHE 64 HZ PHE 64 9.946 -4.663 16.389 463 H ASP 65 H ASP 65 3.598 -9.122 14.275 464 HA ASP 65 HA ASP 65 2.964 -10.083 11.564 465 HB2 ASP 65 2HB ASP 65 2.556 -11.651 13.454 466 HB3 ASP 65 3HB ASP 65 1.515 -10.450 14.229 467 H PHE 66 H PHE 66 1.819 -8.731 10.239 468 HA PHE 66 HA PHE 66 0.507 -6.436 11.545 469 HB2 PHE 66 2HB PHE 66 1.732 -6.831 8.776 470 HB3 PHE 66 3HB PHE 66 0.730 -5.438 9.202 471 HD1 PHE 66 HD1 PHE 66 2.033 -5.741 12.224 472 HD2 PHE 66 HD2 PHE 66 3.484 -5.085 8.233 473 HE1 PHE 66 HE1 PHE 66 4.026 -4.589 13.136 474 HE2 PHE 66 HE2 PHE 66 5.477 -3.935 9.148 475 HZ PHE 66 HZ PHE 66 5.749 -3.684 11.600 476 H ALA 67 H ALA 67 -1.664 -5.950 11.093 477 HA ALA 67 HA ALA 67 -3.055 -7.737 9.237 478 HB1 ALA 67 3HB ALA 67 -3.747 -7.381 12.194 479 HB2 ALA 67 1HB ALA 67 -4.753 -8.237 10.978 480 HB3 ALA 67 2HB ALA 67 -3.134 -8.879 11.416 481 H GLY 68 H GLY 68 -4.983 -6.835 8.349 482 HA2 GLY 68 2HA GLY 68 -6.106 -4.491 9.632 483 HA3 GLY 68 3HA GLY 68 -5.354 -4.188 8.060 484 H THR 69 H THR 69 -8.053 -3.660 8.242 485 HA THR 69 HA THR 69 -9.177 -5.889 6.707 486 HB THR 69 HB THR 69 -10.626 -4.297 8.887 487 HG1 THR 69 HG1 THR 69 -10.725 -6.430 9.903 488 HG21 THR 69 3HG2 THR 69 -11.574 -6.573 7.077 489 HG22 THR 69 1HG2 THR 69 -12.512 -5.834 8.419 490 HG23 THR 69 2HG2 THR 69 -12.085 -4.854 6.976 491 H TYR 70 H TYR 70 -10.526 -5.251 4.952 492 HA TYR 70 HA TYR 70 -10.204 -2.493 4.155 493 HB2 TYR 70 2HB TYR 70 -11.509 -4.953 2.893 494 HB3 TYR 70 3HB TYR 70 -11.499 -3.360 2.125 495 HD1 TYR 70 HD1 TYR 70 -9.040 -2.226 2.033 496 HD2 TYR 70 HD2 TYR 70 -9.815 -6.441 2.308 497 HE1 TYR 70 HE1 TYR 70 -6.804 -2.696 1.075 498 HE2 TYR 70 HE2 TYR 70 -7.579 -6.917 1.357 499 HH TYR 70 HH TYR 70 -5.290 -5.629 1.288 500 H THR 71 H THR 71 -11.892 -0.960 3.803 501 HA THR 71 HA THR 71 -14.362 -1.663 5.231 502 HB THR 71 HB THR 71 -14.569 0.731 5.766 503 HG1 THR 71 HG1 THR 71 -13.101 2.239 5.019 504 HG21 THR 71 3HG2 THR 71 -11.781 -0.357 6.399 505 HG22 THR 71 1HG2 THR 71 -12.618 0.967 7.277 506 HG23 THR 71 2HG2 THR 71 -13.286 -0.700 7.317 507 H LYS 72 H LYS 72 -12.917 -0.261 2.249 508 HA LYS 72 HA LYS 72 -15.533 -0.095 1.021 509 HB2 LYS 72 2HB LYS 72 -15.285 2.042 2.338 510 HB3 LYS 72 3HB LYS 72 -13.817 2.400 1.420 511 HG2 LYS 72 2HG LYS 72 -15.091 2.530 -0.673 512 HG3 LYS 72 3HG LYS 72 -16.566 1.997 0.143 513 HD2 LYS 72 2HD LYS 72 -16.441 4.037 1.629 514 HD3 LYS 72 3HD LYS 72 -15.022 4.580 0.723 515 HE2 LYS 72 2HE LYS 72 -16.366 4.627 -1.377 516 HE3 LYS 72 3HE LYS 72 -17.784 4.047 -0.493 517 HZ1 LYS 72 3HZ LYS 72 -16.382 6.592 0.023 518 HZ2 LYS 72 1HZ LYS 72 -17.812 6.427 -0.746 519 HZ3 LYS 72 2HZ LYS 72 -17.691 6.056 0.839 520 H VAL 73 H VAL 73 -15.359 -0.498 -1.179 521 HA VAL 73 HA VAL 73 -12.859 0.338 -2.443 522 HB VAL 73 HB VAL 73 -14.241 -2.361 -2.871 523 HG11 VAL 73 1HG1 VAL 73 -12.393 -2.808 -4.457 524 HG12 VAL 73 2HG1 VAL 73 -13.399 -1.414 -4.978 525 HG13 VAL 73 3HG1 VAL 73 -11.794 -1.131 -4.223 526 HG21 VAL 73 3HG2 VAL 73 -12.896 -2.290 -0.815 527 HG22 VAL 73 1HG2 VAL 73 -12.104 -3.312 -2.061 528 HG23 VAL 73 2HG2 VAL 73 -11.494 -1.654 -1.739 529 H VAL 74 H VAL 74 -13.241 1.511 -4.319 530 HA VAL 74 HA VAL 74 -15.939 1.279 -5.456 531 HB VAL 74 HB VAL 74 -14.378 3.847 -4.867 532 HG11 VAL 74 1HG1 VAL 74 -16.353 5.014 -5.794 533 HG12 VAL 74 2HG1 VAL 74 -15.549 3.980 -7.023 534 HG13 VAL 74 3HG1 VAL 74 -17.071 3.431 -6.245 535 HG21 VAL 74 3HG2 VAL 74 -15.464 2.887 -2.883 536 HG22 VAL 74 1HG2 VAL 74 -16.304 4.384 -3.409 537 HG23 VAL 74 2HG2 VAL 74 -17.020 2.778 -3.772 538 H GLU 75 H GLU 75 -15.886 0.901 -7.660 539 HA GLU 75 HA GLU 75 -15.113 0.747 -9.744 540 HB2 GLU 75 2HB GLU 75 -14.101 3.534 -9.002 541 HB3 GLU 75 3HB GLU 75 -14.152 2.900 -10.652 542 HG2 GLU 75 2HG GLU 75 -16.629 2.656 -10.484 543 HG3 GLU 75 3HG GLU 75 -16.580 3.284 -8.832 544 H ASN 76 H ASN 76 -13.320 -0.465 -7.747 545 HA ASN 76 HA ASN 76 -11.186 -0.880 -7.232 546 HB2 ASN 76 2HB ASN 76 -11.016 -0.936 -10.268 547 HB3 ASN 76 3HB ASN 76 -9.839 -1.654 -9.160 548 HD21 ASN 76 1HD2 ASN 76 -12.324 -2.336 -11.120 549 HD22 ASN 76 2HD2 ASN 76 -12.857 -3.824 -10.411 550 H LYS 77 H LYS 77 -11.315 1.784 -6.714 551 HA LYS 77 HA LYS 77 -9.169 3.093 -8.158 552 HB2 LYS 77 2HB LYS 77 -11.110 3.293 -9.697 553 HB3 LYS 77 3HB LYS 77 -12.082 3.987 -8.394 554 HG2 LYS 77 2HG LYS 77 -10.582 5.950 -8.275 555 HG3 LYS 77 3HG LYS 77 -9.522 5.245 -9.503 556 HD2 LYS 77 2HD LYS 77 -11.434 5.253 -11.136 557 HD3 LYS 77 3HD LYS 77 -12.468 5.993 -9.907 558 HE2 LYS 77 2HE LYS 77 -10.896 7.943 -9.772 559 HE3 LYS 77 3HE LYS 77 -9.883 7.205 -11.020 560 HZ1 LYS 77 3HZ LYS 77 -12.700 8.013 -11.374 561 HZ2 LYS 77 1HZ LYS 77 -11.397 8.813 -11.946 562 HZ3 LYS 77 2HZ LYS 77 -11.765 7.332 -12.526 563 H ARG 78 H ARG 78 -11.711 2.989 -5.635 564 HA ARG 78 HA ARG 78 -9.962 4.740 -4.073 565 HB2 ARG 78 2HB ARG 78 -12.974 5.048 -4.169 566 HB3 ARG 78 3HB ARG 78 -11.860 5.905 -3.097 567 HG2 ARG 78 2HG ARG 78 -10.769 6.955 -5.063 568 HG3 ARG 78 3HG ARG 78 -11.875 6.092 -6.141 569 HD2 ARG 78 2HD ARG 78 -12.760 8.227 -5.968 570 HD3 ARG 78 3HD ARG 78 -13.772 7.230 -4.915 571 HE ARG 78 HE ARG 78 -11.638 8.492 -3.449 572 HH11 ARG 78 1HH1 ARG 78 -14.782 9.122 -4.885 573 HH12 ARG 78 2HH1 ARG 78 -15.168 10.387 -3.767 574 HH21 ARG 78 1HH2 ARG 78 -12.140 10.124 -2.031 575 HH22 ARG 78 2HH2 ARG 78 -13.652 10.964 -2.128 576 H ILE 79 H ILE 79 -9.474 3.837 -2.087 577 HA ILE 79 HA ILE 79 -11.146 1.611 -1.217 578 HB ILE 79 HB ILE 79 -9.528 0.616 -2.800 579 HG12 ILE 79 2HG1 ILE 79 -8.654 0.006 0.059 580 HG13 ILE 79 3HG1 ILE 79 -10.214 -0.505 -0.599 581 HG21 ILE 79 1HG2 ILE 79 -7.100 0.716 -2.339 582 HG22 ILE 79 2HG2 ILE 79 -7.782 2.343 -2.676 583 HG23 ILE 79 3HG2 ILE 79 -7.406 1.858 -0.988 584 HD11 ILE 79 3HD1 ILE 79 -7.475 -1.273 -1.706 585 HD12 ILE 79 1HD1 ILE 79 -8.563 -2.316 -0.729 586 HD13 ILE 79 2HD1 ILE 79 -9.059 -1.792 -2.374 587 H GLU 80 H GLU 80 -11.302 1.590 1.013 588 HA GLU 80 HA GLU 80 -9.152 2.972 2.491 589 HB2 GLU 80 2HB GLU 80 -11.258 4.306 2.383 590 HB3 GLU 80 3HB GLU 80 -12.157 2.940 3.056 591 HG2 GLU 80 2HG GLU 80 -10.643 3.080 5.113 592 HG3 GLU 80 3HG GLU 80 -9.985 4.579 4.444 593 H TYR 81 H TYR 81 -8.436 1.990 4.423 594 HA TYR 81 HA TYR 81 -9.831 -0.393 5.337 595 HB2 TYR 81 2HB TYR 81 -7.684 -1.710 5.260 596 HB3 TYR 81 3HB TYR 81 -8.413 -1.396 3.679 597 HD1 TYR 81 HD1 TYR 81 -5.576 -0.628 5.915 598 HD2 TYR 81 HD2 TYR 81 -7.344 0.130 2.079 599 HE1 TYR 81 HE1 TYR 81 -3.446 0.362 5.133 600 HE2 TYR 81 HE2 TYR 81 -5.217 1.117 1.288 601 HH TYR 81 HH TYR 81 -2.954 1.229 1.739 602 H ALA 82 H ALA 82 -8.823 -1.227 7.427 603 HA ALA 82 HA ALA 82 -7.560 1.031 8.854 604 HB1 ALA 82 3HB ALA 82 -9.538 -1.076 9.853 605 HB2 ALA 82 1HB ALA 82 -8.748 0.183 10.862 606 HB3 ALA 82 2HB ALA 82 -9.889 0.661 9.560 607 H PHE 83 H PHE 83 -5.735 0.604 10.123 608 HA PHE 83 HA PHE 83 -4.738 -2.166 9.876 609 HB2 PHE 83 2HB PHE 83 -3.708 -0.638 8.201 610 HB3 PHE 83 3HB PHE 83 -3.220 0.460 9.497 611 HD1 PHE 83 HD1 PHE 83 -2.648 -2.874 7.979 612 HD2 PHE 83 HD2 PHE 83 -1.325 -0.029 10.916 613 HE1 PHE 83 HE1 PHE 83 -0.541 -4.144 8.264 614 HE2 PHE 83 HE2 PHE 83 0.781 -1.297 11.195 615 HZ PHE 83 HZ PHE 83 1.179 -3.356 9.868 616 H GLY 84 H GLY 84 -4.861 -2.938 11.982 617 HA2 GLY 84 2HA GLY 84 -4.333 -3.123 14.154 618 HA3 GLY 84 3HA GLY 84 -3.134 -1.842 13.934 619 H ASP 85 H ASP 85 -3.462 -0.177 15.380 620 HA ASP 85 HA ASP 85 -6.232 0.526 16.033 621 HB2 ASP 85 2HB ASP 85 -5.207 1.901 17.796 622 HB3 ASP 85 3HB ASP 85 -4.675 0.218 17.906 623 H ARG 86 H ARG 86 -4.462 1.133 13.416 624 HA ARG 86 HA ARG 86 -5.070 4.015 13.460 625 HB2 ARG 86 2HB ARG 86 -2.732 2.564 12.213 626 HB3 ARG 86 3HB ARG 86 -3.250 4.171 11.687 627 HG2 ARG 86 2HG ARG 86 -2.961 4.988 14.048 628 HG3 ARG 86 3HG ARG 86 -2.337 3.393 14.489 629 HD2 ARG 86 2HD ARG 86 -1.123 5.097 12.314 630 HD3 ARG 86 3HD ARG 86 -0.657 5.224 14.015 631 HE ARG 86 HE ARG 86 0.234 2.988 13.902 632 HH11 ARG 86 1HH1 ARG 86 -0.783 4.255 10.787 633 HH12 ARG 86 2HH1 ARG 86 0.224 3.170 9.888 634 HH21 ARG 86 1HH2 ARG 86 1.510 1.598 12.740 635 HH22 ARG 86 2HH2 ARG 86 1.542 1.643 11.009 636 H THR 87 H THR 87 -5.321 4.878 11.068 637 HA THR 87 HA THR 87 -6.679 2.818 9.479 638 HB THR 87 HB THR 87 -8.397 4.496 8.858 639 HG1 THR 87 HG1 THR 87 -8.474 6.490 10.127 640 HG21 THR 87 3HG2 THR 87 -8.089 4.145 11.880 641 HG22 THR 87 1HG2 THR 87 -9.605 4.577 11.019 642 HG23 THR 87 2HG2 THR 87 -8.843 2.974 10.747 643 H ALA 88 H ALA 88 -6.767 3.320 7.118 644 HA ALA 88 HA ALA 88 -5.204 5.623 6.262 645 HB1 ALA 88 3HB ALA 88 -4.555 2.740 5.473 646 HB2 ALA 88 1HB ALA 88 -3.842 4.213 4.734 647 HB3 ALA 88 2HB ALA 88 -3.524 3.831 6.460 648 H LYS 89 H LYS 89 -5.709 6.315 4.103 649 HA LYS 89 HA LYS 89 -7.827 4.753 2.783 650 HB2 LYS 89 2HB LYS 89 -8.812 6.657 4.086 651 HB3 LYS 89 3HB LYS 89 -7.785 7.782 3.188 652 HG2 LYS 89 2HG LYS 89 -8.905 7.179 1.075 653 HG3 LYS 89 3HG LYS 89 -9.870 5.950 1.903 654 HD2 LYS 89 2HD LYS 89 -10.901 7.721 3.337 655 HD3 LYS 89 3HD LYS 89 -9.931 8.952 2.519 656 HE2 LYS 89 2HE LYS 89 -11.005 8.392 0.349 657 HE3 LYS 89 3HE LYS 89 -11.936 7.103 1.123 658 HZ1 LYS 89 3HZ LYS 89 -12.134 9.973 1.780 659 HZ2 LYS 89 1HZ LYS 89 -13.217 9.114 0.911 660 HZ3 LYS 89 2HZ LYS 89 -12.993 8.783 2.495 661 H VAL 90 H VAL 90 -7.455 4.445 0.606 662 HA VAL 90 HA VAL 90 -5.259 6.043 -0.525 663 HB VAL 90 HB VAL 90 -5.999 3.122 -1.065 664 HG11 VAL 90 1HG1 VAL 90 -3.943 3.093 -2.446 665 HG12 VAL 90 2HG1 VAL 90 -5.156 4.258 -3.077 666 HG13 VAL 90 3HG1 VAL 90 -3.732 4.854 -2.159 667 HG21 VAL 90 3HG2 VAL 90 -4.916 3.435 1.121 668 HG22 VAL 90 1HG2 VAL 90 -3.806 2.619 -0.031 669 HG23 VAL 90 2HG2 VAL 90 -3.588 4.362 0.344 670 H GLU 91 H GLU 91 -5.591 6.969 -2.572 671 HA GLU 91 HA GLU 91 -8.059 6.169 -3.970 672 HB2 GLU 91 2HB GLU 91 -6.983 8.990 -3.499 673 HB3 GLU 91 3HB GLU 91 -8.298 8.588 -4.612 674 HG2 GLU 91 2HG GLU 91 -9.643 7.712 -2.696 675 HG3 GLU 91 3HG GLU 91 -8.331 8.131 -1.588 676 H PHE 92 H PHE 92 -7.954 6.230 -6.280 677 HA PHE 92 HA PHE 92 -5.219 6.637 -7.318 678 HB2 PHE 92 2HB PHE 92 -7.368 4.643 -8.193 679 HB3 PHE 92 3HB PHE 92 -5.822 4.898 -9.015 680 HD1 PHE 92 HD1 PHE 92 -7.402 3.701 -5.863 681 HD2 PHE 92 HD2 PHE 92 -3.799 3.922 -8.191 682 HE1 PHE 92 HE1 PHE 92 -6.332 2.043 -4.368 683 HE2 PHE 92 HE2 PHE 92 -2.734 2.258 -6.701 684 HZ PHE 92 HZ PHE 92 -3.999 1.315 -4.785 685 H LEU 93 H LEU 93 -5.001 8.116 -8.968 686 HA LEU 93 HA LEU 93 -7.531 9.198 -10.040 687 HB2 LEU 93 2HB LEU 93 -6.386 10.779 -8.568 688 HB3 LEU 93 3HB LEU 93 -4.849 10.517 -9.403 689 HG LEU 93 HG LEU 93 -5.885 11.501 -11.503 690 HD11 LEU 93 1HD1 LEU 93 -7.970 12.796 -11.247 691 HD12 LEU 93 2HD1 LEU 93 -8.241 11.045 -10.951 692 HD13 LEU 93 3HD1 LEU 93 -8.146 12.186 -9.567 693 HD21 LEU 93 3HD2 LEU 93 -4.462 12.818 -9.973 694 HD22 LEU 93 1HD2 LEU 93 -5.772 13.829 -10.670 695 HD23 LEU 93 2HD2 LEU 93 -5.901 13.232 -8.982 696 H GLU 94 H GLU 94 -7.850 9.003 -12.221 697 HA GLU 94 HA GLU 94 -5.726 7.933 -13.843 698 HB2 GLU 94 2HB GLU 94 -8.125 7.272 -14.078 699 HB3 GLU 94 3HB GLU 94 -8.533 8.930 -14.539 700 HG2 GLU 94 2HG GLU 94 -7.081 8.735 -16.554 701 HG3 GLU 94 3HG GLU 94 -6.650 7.084 -16.090 702 H ALA 95 H ALA 95 -4.170 9.138 -14.837 703 HA ALA 95 HA ALA 95 -4.875 11.926 -15.505 704 HB1 ALA 95 3HB ALA 95 -2.165 10.628 -14.945 705 HB2 ALA 95 1HB ALA 95 -2.430 12.339 -15.424 706 HB3 ALA 95 2HB ALA 95 -3.061 11.738 -13.854 707 HA PRO 96 HA PRO 96 -4.273 11.079 -19.803 708 HB2 PRO 96 2HB PRO 96 -2.859 13.361 -20.589 709 HB3 PRO 96 3HB PRO 96 -4.591 13.413 -20.239 710 HG2 PRO 96 2HG PRO 96 -2.258 14.135 -18.433 711 HG3 PRO 96 3HG PRO 96 -3.768 15.016 -18.701 712 HD2 PRO 96 2HD PRO 96 -3.473 13.472 -16.496 713 HD3 PRO 96 3HD PRO 96 -5.035 13.539 -17.324 714 H GLN 97 H GLN 97 -1.416 11.717 -17.780 715 HA GLN 97 HA GLN 97 0.234 10.572 -19.925 716 HB2 GLN 97 2HB GLN 97 0.953 12.081 -17.361 717 HB3 GLN 97 3HB GLN 97 2.129 11.425 -18.508 718 HG2 GLN 97 2HG GLN 97 1.204 12.900 -20.294 719 HG3 GLN 97 3HG GLN 97 0.037 13.560 -19.141 720 HE21 GLN 97 1HE2 GLN 97 1.228 15.571 -19.948 721 HE22 GLN 97 2HE2 GLN 97 2.606 16.086 -19.034 722 H GLY 98 H GLY 98 -1.442 9.663 -17.045 723 HA2 GLY 98 2HA GLY 98 -0.420 7.094 -16.926 724 HA3 GLY 98 3HA GLY 98 0.576 8.065 -15.834 725 H VAL 99 H VAL 99 -0.493 6.413 -14.244 726 HA VAL 99 HA VAL 99 -2.969 7.680 -13.288 727 HB VAL 99 HB VAL 99 -1.963 4.805 -12.985 728 HG11 VAL 99 1HG1 VAL 99 -4.006 4.405 -11.647 729 HG12 VAL 99 2HG1 VAL 99 -2.908 5.585 -10.855 730 HG13 VAL 99 3HG1 VAL 99 -4.382 6.160 -11.705 731 HG21 VAL 99 3HG2 VAL 99 -3.066 5.298 -15.126 732 HG22 VAL 99 1HG2 VAL 99 -4.098 4.240 -14.105 733 HG23 VAL 99 2HG2 VAL 99 -4.476 5.989 -14.256 734 H THR 100 H THR 100 -2.945 8.542 -11.200 735 HA THR 100 HA THR 100 -0.340 8.400 -9.881 736 HB THR 100 HB THR 100 -2.662 10.380 -9.649 737 HG1 THR 100 HG1 THR 100 0.081 10.783 -10.521 738 HG21 THR 100 3HG2 THR 100 0.047 10.351 -8.229 739 HG22 THR 100 1HG2 THR 100 -1.159 11.680 -8.168 740 HG23 THR 100 2HG2 THR 100 -1.555 10.076 -7.464 741 H VAL 101 H VAL 101 -0.109 7.512 -7.818 742 HA VAL 101 HA VAL 101 -2.592 6.491 -6.628 743 HB VAL 101 HB VAL 101 0.317 5.602 -6.249 744 HG11 VAL 101 1HG1 VAL 101 -0.660 3.689 -5.026 745 HG12 VAL 101 2HG1 VAL 101 -1.033 5.254 -4.229 746 HG13 VAL 101 3HG1 VAL 101 -2.293 4.418 -5.198 747 HG21 VAL 101 3HG2 VAL 101 -0.540 5.053 -8.482 748 HG22 VAL 101 1HG2 VAL 101 -0.377 3.573 -7.478 749 HG23 VAL 101 2HG2 VAL 101 -1.997 4.298 -7.752 750 H ARG 102 H ARG 102 -3.312 7.533 -4.800 751 HA ARG 102 HA ARG 102 -1.290 9.024 -3.266 752 HB2 ARG 102 2HB ARG 102 -2.819 10.538 -4.296 753 HB3 ARG 102 3HB ARG 102 -4.218 9.608 -3.743 754 HG2 ARG 102 2HG ARG 102 -3.689 10.155 -1.399 755 HG3 ARG 102 3HG ARG 102 -2.239 11.030 -1.911 756 HD2 ARG 102 2HD ARG 102 -5.074 11.740 -2.691 757 HD3 ARG 102 3HD ARG 102 -4.170 12.470 -1.358 758 HE ARG 102 HE ARG 102 -2.585 12.813 -3.626 759 HH11 ARG 102 1HH1 ARG 102 -5.830 13.746 -2.656 760 HH12 ARG 102 2HH1 ARG 102 -5.806 15.215 -3.573 761 HH21 ARG 102 1HH2 ARG 102 -2.572 14.691 -4.806 762 HH22 ARG 102 2HH2 ARG 102 -3.936 15.758 -4.810 763 H VAL 103 H VAL 103 -0.841 8.246 -1.252 764 HA VAL 103 HA VAL 103 -2.948 6.629 0.006 765 HB VAL 103 HB VAL 103 0.095 6.392 0.240 766 HG11 VAL 103 1HG1 VAL 103 -0.372 4.430 1.676 767 HG12 VAL 103 2HG1 VAL 103 -1.004 5.950 2.394 768 HG13 VAL 103 3HG1 VAL 103 -2.128 4.797 1.598 769 HG21 VAL 103 3HG2 VAL 103 -0.800 5.477 -1.860 770 HG22 VAL 103 1HG2 VAL 103 -0.255 4.157 -0.770 771 HG23 VAL 103 2HG2 VAL 103 -2.007 4.515 -0.941 772 H SER 104 H SER 104 -3.815 7.589 1.825 773 HA SER 104 HA SER 104 -1.989 9.277 3.425 774 HB2 SER 104 2HB SER 104 -5.014 9.361 3.040 775 HB3 SER 104 3HB SER 104 -4.156 10.267 4.293 776 HG SER 104 HG SER 104 -4.524 11.524 2.385 777 H PHE 105 H PHE 105 -1.600 8.678 5.537 778 HA PHE 105 HA PHE 105 -3.294 6.615 6.720 779 HB2 PHE 105 2HB PHE 105 -1.388 5.150 7.168 780 HB3 PHE 105 3HB PHE 105 -1.596 5.366 5.425 781 HD1 PHE 105 HD1 PHE 105 -0.057 6.944 4.182 782 HD2 PHE 105 HD2 PHE 105 0.627 5.792 8.264 783 HE1 PHE 105 HE1 PHE 105 2.302 7.665 3.991 784 HE2 PHE 105 HE2 PHE 105 2.985 6.518 8.072 785 HZ PHE 105 HZ PHE 105 3.827 7.455 5.936 786 H VAL 106 H VAL 106 -2.834 6.313 9.067 787 HA VAL 106 HA VAL 106 -2.070 8.813 10.246 788 HB VAL 106 HB VAL 106 -2.920 6.132 11.453 789 HG11 VAL 106 1HG1 VAL 106 -3.258 7.402 13.550 790 HG12 VAL 106 2HG1 VAL 106 -1.538 7.407 13.034 791 HG13 VAL 106 3HG1 VAL 106 -2.558 8.862 12.773 792 HG21 VAL 106 3HG2 VAL 106 -4.677 7.224 10.124 793 HG22 VAL 106 1HG2 VAL 106 -5.064 7.298 11.877 794 HG23 VAL 106 2HG2 VAL 106 -4.433 8.753 11.035 795 H ALA 107 H ALA 107 -0.172 9.281 11.405 796 HA ALA 107 HA ALA 107 2.082 7.660 10.823 797 HB1 ALA 107 3HB ALA 107 1.692 10.006 12.747 798 HB2 ALA 107 1HB ALA 107 3.272 9.326 12.231 799 HB3 ALA 107 2HB ALA 107 2.197 10.113 11.026 800 H GLU 108 H GLU 108 3.251 6.202 12.092 801 HA GLU 108 HA GLU 108 1.906 5.203 14.446 802 HB2 GLU 108 2HB GLU 108 2.951 3.681 12.807 803 HB3 GLU 108 3HB GLU 108 4.522 4.456 13.052 804 HG2 GLU 108 2HG GLU 108 4.472 2.364 14.286 805 HG3 GLU 108 3HG GLU 108 4.511 3.704 15.440 806 H THR 109 H THR 109 2.322 5.802 16.543 807 HA THR 109 HA THR 109 3.950 8.054 16.939 808 HB THR 109 HB THR 109 3.384 7.745 19.344 809 HG1 THR 109 HG1 THR 109 2.030 5.887 19.893 810 HG21 THR 109 3HG2 THR 109 1.047 7.212 17.444 811 HG22 THR 109 1HG2 THR 109 0.919 7.864 19.112 812 HG23 THR 109 2HG2 THR 109 1.749 8.818 17.836 813 H GLU 110 H GLU 110 4.605 4.568 17.077 814 HA GLU 110 HA GLU 110 6.763 4.751 18.938 815 HB2 GLU 110 2HB GLU 110 5.903 2.647 16.898 816 HB3 GLU 110 3HB GLU 110 7.262 2.432 18.009 817 HG2 GLU 110 2HG GLU 110 5.734 2.655 19.952 818 HG3 GLU 110 3HG GLU 110 4.368 2.934 18.865 819 H TYR 111 H TYR 111 6.402 5.573 15.553 820 HA TYR 111 HA TYR 111 9.341 5.596 15.308 821 HB2 TYR 111 2HB TYR 111 7.245 4.871 13.203 822 HB3 TYR 111 3HB TYR 111 8.955 5.155 12.853 823 HD1 TYR 111 HD1 TYR 111 6.526 2.852 14.427 824 HD2 TYR 111 HD2 TYR 111 10.665 3.525 13.502 825 HE1 TYR 111 HE1 TYR 111 7.022 0.480 14.929 826 HE2 TYR 111 HE2 TYR 111 11.165 1.155 14.004 827 HH TYR 111 HH TYR 111 10.375 -0.807 14.636 828 HA PRO 112 HA PRO 112 9.043 9.875 14.261 829 HB2 PRO 112 2HB PRO 112 10.877 9.192 11.923 830 HB3 PRO 112 3HB PRO 112 11.122 10.397 13.195 831 HG2 PRO 112 2HG PRO 112 12.511 8.124 13.270 832 HG3 PRO 112 3HG PRO 112 11.852 8.785 14.772 833 HD2 PRO 112 2HD PRO 112 10.804 6.476 13.086 834 HD3 PRO 112 3HD PRO 112 10.905 6.608 14.847 835 H VAL 113 H VAL 113 7.807 11.247 13.087 836 HA VAL 113 HA VAL 113 5.962 10.211 11.314 837 HB VAL 113 HB VAL 113 7.030 13.047 11.711 838 HG11 VAL 113 1HG1 VAL 113 5.012 13.820 10.502 839 HG12 VAL 113 2HG1 VAL 113 6.095 12.851 9.446 840 HG13 VAL 113 3HG1 VAL 113 4.598 12.116 10.114 841 HG21 VAL 113 3HG2 VAL 113 5.889 12.060 13.651 842 HG22 VAL 113 1HG2 VAL 113 4.894 13.365 12.921 843 HG23 VAL 113 2HG2 VAL 113 4.475 11.644 12.625 844 H GLU 114 H GLU 114 9.137 11.887 10.661 845 HA GLU 114 HA GLU 114 8.824 11.961 7.867 846 HB2 GLU 114 2HB GLU 114 11.259 11.945 9.708 847 HB3 GLU 114 3HB GLU 114 11.379 12.134 7.954 848 HG2 GLU 114 2HG GLU 114 10.044 14.202 8.042 849 HG3 GLU 114 3HG GLU 114 9.773 13.991 9.777 850 H GLN 115 H GLN 115 10.119 9.431 10.116 851 HA GLN 115 HA GLN 115 11.322 7.875 8.102 852 HB2 GLN 115 2HB GLN 115 11.797 7.711 10.551 853 HB3 GLN 115 3HB GLN 115 10.164 7.088 10.825 854 HG2 GLN 115 2HG GLN 115 11.734 5.237 10.817 855 HG3 GLN 115 3HG GLN 115 10.680 5.108 9.403 856 HE21 GLN 115 1HE2 GLN 115 11.901 4.155 7.871 857 HE22 GLN 115 2HE2 GLN 115 13.461 4.695 7.345 858 H GLN 116 H GLN 116 7.975 7.914 9.517 859 HA GLN 116 HA GLN 116 7.157 5.558 8.160 860 HB2 GLN 116 2HB GLN 116 5.672 7.912 9.420 861 HB3 GLN 116 3HB GLN 116 4.838 6.534 8.691 862 HG2 GLN 116 2HG GLN 116 6.838 6.334 10.992 863 HG3 GLN 116 3HG GLN 116 5.081 6.387 11.185 864 HE21 GLN 116 1HE2 GLN 116 7.640 4.340 11.159 865 HE22 GLN 116 2HE2 GLN 116 6.877 2.877 10.632 866 H GLN 117 H GLN 117 7.004 9.108 7.385 867 HA GLN 117 HA GLN 117 5.413 8.876 5.104 868 HB2 GLN 117 2HB GLN 117 5.973 11.010 6.228 869 HB3 GLN 117 3HB GLN 117 7.677 10.817 5.794 870 HG2 GLN 117 2HG GLN 117 7.083 10.950 3.382 871 HG3 GLN 117 3HG GLN 117 5.376 11.129 3.808 872 HE21 GLN 117 1HE2 GLN 117 5.976 13.120 2.376 873 HE22 GLN 117 2HE2 GLN 117 6.401 14.560 3.239 874 H GLN 118 H GLN 118 9.051 8.742 5.474 875 HA GLN 118 HA GLN 118 9.499 8.523 2.693 876 HB2 GLN 118 2HB GLN 118 11.146 7.852 5.178 877 HB3 GLN 118 3HB GLN 118 11.773 7.635 3.538 878 HG2 GLN 118 2HG GLN 118 11.487 10.041 3.074 879 HG3 GLN 118 3HG GLN 118 10.755 10.287 4.665 880 HE21 GLN 118 1HE2 GLN 118 12.809 11.863 4.235 881 HE22 GLN 118 2HE2 GLN 118 14.250 11.338 5.040 882 H GLY 119 H GLY 119 8.968 6.089 5.332 883 HA2 GLY 119 2HA GLY 119 9.817 3.841 3.887 884 HA3 GLY 119 3HA GLY 119 8.684 3.868 5.245 885 H TRP 120 H TRP 120 6.496 5.347 4.214 886 HA TRP 120 HA TRP 120 5.242 3.353 2.653 887 HB2 TRP 120 2HB TRP 120 4.585 5.979 3.888 888 HB3 TRP 120 3HB TRP 120 3.685 5.638 2.404 889 HD1 TRP 120 HD1 TRP 120 1.455 4.432 2.845 890 HE1 TRP 120 HE1 TRP 120 0.531 2.816 4.640 891 HE3 TRP 120 HE3 TRP 120 5.686 3.917 5.714 892 HZ2 TRP 120 HZ2 TRP 120 1.455 1.501 6.949 893 HZ3 TRP 120 HZ3 TRP 120 5.591 2.448 7.723 894 HH2 TRP 120 HH2 TRP 120 3.535 1.266 8.327 895 H GLN 121 H GLN 121 6.797 6.528 1.848 896 HA GLN 121 HA GLN 121 5.947 6.578 -0.837 897 HB2 GLN 121 2HB GLN 121 6.900 8.509 0.434 898 HB3 GLN 121 3HB GLN 121 8.471 7.698 0.480 899 HG2 GLN 121 2HG GLN 121 8.530 9.343 -1.278 900 HG3 GLN 121 3HG GLN 121 8.535 7.742 -2.029 901 HE21 GLN 121 1HE2 GLN 121 7.359 7.738 -3.838 902 HE22 GLN 121 2HE2 GLN 121 5.842 8.537 -4.078 903 H ALA 122 H ALA 122 8.826 5.085 0.811 904 HA ALA 122 HA ALA 122 10.147 4.365 -1.570 905 HB1 ALA 122 3HB ALA 122 10.193 3.124 1.225 906 HB2 ALA 122 1HB ALA 122 11.388 2.814 -0.080 907 HB3 ALA 122 2HB ALA 122 11.243 4.456 0.634 908 H ILE 123 H ILE 123 7.590 2.716 0.399 909 HA ILE 123 HA ILE 123 7.710 0.286 -0.982 910 HB ILE 123 HB ILE 123 5.461 1.732 0.500 911 HG12 ILE 123 2HG1 ILE 123 7.063 -0.750 1.261 912 HG13 ILE 123 3HG1 ILE 123 7.545 0.889 1.720 913 HG21 ILE 123 1HG2 ILE 123 4.239 -0.419 0.467 914 HG22 ILE 123 2HG2 ILE 123 4.466 0.245 -1.186 915 HG23 ILE 123 3HG2 ILE 123 5.495 -1.112 -0.615 916 HD11 ILE 123 3HD1 ILE 123 4.916 -0.471 2.466 917 HD12 ILE 123 1HD1 ILE 123 6.331 -0.219 3.543 918 HD13 ILE 123 2HD1 ILE 123 5.405 1.193 2.932 919 H LEU 124 H LEU 124 5.738 3.307 -1.554 920 HA LEU 124 HA LEU 124 4.429 2.279 -3.850 921 HB2 LEU 124 2HB LEU 124 5.036 5.103 -2.858 922 HB3 LEU 124 3HB LEU 124 4.053 4.762 -4.288 923 HG LEU 124 HG LEU 124 3.399 3.814 -1.449 924 HD11 LEU 124 1HD1 LEU 124 1.608 5.511 -1.549 925 HD12 LEU 124 2HD1 LEU 124 3.235 6.260 -1.685 926 HD13 LEU 124 3HD1 LEU 124 2.214 6.058 -3.149 927 HD21 LEU 124 3HD2 LEU 124 2.561 2.315 -3.220 928 HD22 LEU 124 1HD2 LEU 124 1.216 3.219 -2.447 929 HD23 LEU 124 2HD2 LEU 124 1.819 3.716 -4.064 930 H ASN 125 H ASN 125 7.620 3.851 -3.300 931 HA ASN 125 HA ASN 125 8.134 4.416 -6.008 932 HB2 ASN 125 2HB ASN 125 9.920 3.912 -3.607 933 HB3 ASN 125 3HB ASN 125 10.560 4.299 -5.210 934 HD21 ASN 125 1HD2 ASN 125 11.137 5.889 -3.116 935 HD22 ASN 125 2HD2 ASN 125 10.383 7.433 -3.340 936 H ASN 126 H ASN 126 8.692 1.469 -3.954 937 HA ASN 126 HA ASN 126 9.971 -0.007 -5.981 938 HB2 ASN 126 2HB ASN 126 8.380 -0.760 -3.513 939 HB3 ASN 126 3HB ASN 126 9.039 -1.979 -4.612 940 HD21 ASN 126 1HD2 ASN 126 9.575 -0.856 -1.769 941 HD22 ASN 126 2HD2 ASN 126 11.305 -0.865 -1.703 942 H PHE 127 H PHE 127 6.486 0.562 -5.165 943 HA PHE 127 HA PHE 127 5.403 -1.278 -6.970 944 HB2 PHE 127 2HB PHE 127 4.139 -0.065 -5.208 945 HB3 PHE 127 3HB PHE 127 4.390 1.461 -6.066 946 HD1 PHE 127 HD1 PHE 127 3.990 -1.121 -8.458 947 HD2 PHE 127 HD2 PHE 127 1.765 1.341 -5.728 948 HE1 PHE 127 HE1 PHE 127 1.931 -1.520 -9.773 949 HE2 PHE 127 HE2 PHE 127 -0.293 0.936 -7.042 950 HZ PHE 127 HZ PHE 127 -0.214 -0.493 -9.068 951 H LYS 128 H LYS 128 6.515 2.160 -7.433 952 HA LYS 128 HA LYS 128 5.673 2.407 -10.084 953 HB2 LYS 128 2HB LYS 128 6.439 4.270 -8.637 954 HB3 LYS 128 3HB LYS 128 8.079 3.609 -8.632 955 HG2 LYS 128 2HG LYS 128 8.303 4.009 -11.046 956 HG3 LYS 128 3HG LYS 128 6.614 4.521 -11.157 957 HD2 LYS 128 2HD LYS 128 7.114 6.404 -9.547 958 HD3 LYS 128 3HD LYS 128 8.813 5.913 -9.537 959 HE2 LYS 128 2HE LYS 128 7.304 6.617 -12.103 960 HE3 LYS 128 3HE LYS 128 8.180 7.819 -11.146 961 HZ1 LYS 128 3HZ LYS 128 9.374 5.402 -12.347 962 HZ2 LYS 128 1HZ LYS 128 9.538 6.928 -12.904 963 HZ3 LYS 128 2HZ LYS 128 10.183 6.512 -11.463 964 H ARG 129 H ARG 129 8.816 1.165 -8.699 965 HA ARG 129 HA ARG 129 10.023 0.749 -11.195 966 HB2 ARG 129 2HB ARG 129 10.493 -0.614 -8.531 967 HB3 ARG 129 3HB ARG 129 11.518 -0.795 -9.961 968 HG2 ARG 129 2HG ARG 129 10.965 1.821 -8.496 969 HG3 ARG 129 3HG ARG 129 12.416 0.826 -8.314 970 HD2 ARG 129 2HD ARG 129 12.815 1.126 -10.782 971 HD3 ARG 129 3HD ARG 129 11.485 2.292 -10.787 972 HE ARG 129 HE ARG 129 13.438 2.965 -8.790 973 HH11 ARG 129 1HH1 ARG 129 12.897 3.051 -12.262 974 HH12 ARG 129 2HH1 ARG 129 13.912 4.434 -12.500 975 HH21 ARG 129 1HH2 ARG 129 14.746 4.727 -9.114 976 HH22 ARG 129 2HH2 ARG 129 14.974 5.396 -10.695 977 H HIS 130 H HIS 130 7.774 -1.286 -9.230 978 HA HIS 130 HA HIS 130 8.045 -3.628 -10.739 979 HB2 HIS 130 2HB HIS 130 6.892 -3.488 -8.551 980 HB3 HIS 130 3HB HIS 130 5.637 -2.460 -9.256 981 HD2 HIS 130 HD2 HIS 130 3.498 -3.849 -10.281 982 HE1 HIS 130 HE1 HIS 130 5.334 -7.716 -10.384 983 H VAL 131 H VAL 131 5.834 -0.749 -11.157 984 HA VAL 131 HA VAL 131 4.493 -1.769 -13.376 985 HB VAL 131 HB VAL 131 5.126 1.080 -12.475 986 HG11 VAL 131 1HG1 VAL 131 3.371 1.821 -14.058 987 HG12 VAL 131 2HG1 VAL 131 4.768 1.077 -14.907 988 HG13 VAL 131 3HG1 VAL 131 3.247 0.147 -14.695 989 HG21 VAL 131 3HG2 VAL 131 3.681 -0.220 -10.972 990 HG22 VAL 131 1HG2 VAL 131 2.746 1.074 -11.794 991 HG23 VAL 131 2HG2 VAL 131 2.598 -0.628 -12.345 992 H GLU 132 H GLU 132 7.614 0.062 -13.071 993 HA GLU 132 HA GLU 132 7.889 0.666 -15.793 994 HB2 GLU 132 2HB GLU 132 9.857 0.286 -13.495 995 HB3 GLU 132 3HB GLU 132 10.388 0.733 -15.122 996 HG2 GLU 132 2HG GLU 132 9.007 2.789 -15.035 997 HG3 GLU 132 3HG GLU 132 8.400 2.335 -13.437 998 H SER 133 H SER 133 8.514 -2.336 -13.930 999 HA SER 133 HA SER 133 10.143 -3.514 -15.971 1000 HB2 SER 133 2HB SER 133 10.033 -5.473 -14.600 1001 HB3 SER 133 3HB SER 133 10.187 -4.084 -13.516 1002 HG SER 133 HG SER 133 7.970 -4.190 -13.054 1003 H HIS 134 H HIS 134 6.718 -2.929 -15.629 1004 HA HIS 134 HA HIS 134 6.068 -5.169 -17.395 1005 HB2 HIS 134 2HB HIS 134 4.398 -3.097 -15.895 1006 HB3 HIS 134 3HB HIS 134 3.706 -4.242 -17.052 1007 HD2 HIS 134 HD2 HIS 134 4.318 -4.060 -13.344 1008 HE1 HIS 134 HE1 HIS 134 4.276 -8.238 -14.277 1009 H LEU 135 H LEU 135 7.527 -2.292 -17.934 1010 HA LEU 135 HA LEU 135 5.864 -1.558 -20.228 1011 HB2 LEU 135 2HB LEU 135 8.473 -0.367 -19.168 1012 HB3 LEU 135 3HB LEU 135 7.451 0.314 -20.441 1013 HG LEU 135 HG LEU 135 6.629 -0.025 -17.507 1014 HD11 LEU 135 1HD1 LEU 135 6.781 2.434 -17.438 1015 HD12 LEU 135 2HD1 LEU 135 8.366 1.687 -17.828 1016 HD13 LEU 135 3HD1 LEU 135 7.388 2.447 -19.129 1017 HD21 LEU 135 3HD2 LEU 135 4.739 -0.223 -19.080 1018 HD22 LEU 135 1HD2 LEU 135 4.669 1.326 -18.174 1019 HD23 LEU 135 2HD2 LEU 135 5.236 1.308 -19.878 1020 H GLU 136 H GLU 136 8.961 -0.724 -21.077 1021 HA GLU 136 HA GLU 136 8.976 -2.701 -23.138 1022 HB2 GLU 136 2HB GLU 136 9.707 -0.266 -23.320 1023 HB3 GLU 136 3HB GLU 136 11.135 -0.684 -22.364 1024 HG2 GLU 136 2HG GLU 136 11.880 -2.271 -24.099 1025 HG3 GLU 136 3HG GLU 136 10.408 -1.984 -25.036 1026 H HIS 137 H HIS 137 9.083 -4.663 -21.661 1027 HA HIS 137 HA HIS 137 11.368 -5.126 -20.080 1028 HB2 HIS 137 2HB HIS 137 9.117 -6.318 -19.983 1029 HB3 HIS 137 3HB HIS 137 9.566 -7.169 -21.467 1030 HD2 HIS 137 HD2 HIS 137 10.135 -7.417 -17.654 1031 HE1 HIS 137 HE1 HIS 137 12.724 -10.274 -19.516 1032 H HIS 138 H HIS 138 13.344 -6.181 -20.513 1033 HA HIS 138 HA HIS 138 13.869 -6.603 -23.387 1034 HB2 HIS 138 2HB HIS 138 15.759 -5.792 -21.120 1035 HB3 HIS 138 3HB HIS 138 16.251 -6.121 -22.787 1036 HD2 HIS 138 HD2 HIS 138 14.669 -3.252 -20.675 1037 HE1 HIS 138 HE1 HIS 138 14.910 -1.924 -24.737 Start of MODEL 12 1 H1 MET 1 1H MET 1 -1.371 14.171 14.403 2 H2 MET 1 2H MET 1 -2.477 13.353 13.523 3 H3 MET 1 3H MET 1 -1.126 12.598 14.043 4 HA MET 1 HA MET 1 -1.115 14.878 12.229 5 HB2 MET 1 2HB MET 1 0.994 12.807 13.005 6 HB3 MET 1 3HB MET 1 1.195 14.015 11.729 7 HG2 MET 1 2HG MET 1 0.720 14.634 14.684 8 HG3 MET 1 3HG MET 1 2.291 14.659 13.873 9 HE1 MET 1 3HE MET 1 1.665 16.155 10.977 10 HE2 MET 1 1HE MET 1 2.217 17.743 11.609 11 HE3 MET 1 2HE MET 1 3.040 16.234 12.130 12 H ASN 2 H ASN 2 -2.009 14.498 10.243 13 HA ASN 2 HA ASN 2 -2.064 11.727 9.299 14 HB2 ASN 2 2HB ASN 2 -3.426 14.257 8.303 15 HB3 ASN 2 3HB ASN 2 -3.517 12.689 7.492 16 HD21 ASN 2 1HD2 ASN 2 -5.073 14.713 9.520 17 HD22 ASN 2 2HD2 ASN 2 -6.136 13.581 10.288 18 H ILE 3 H ILE 3 -0.739 11.006 7.650 19 HA ILE 3 HA ILE 3 0.937 13.056 6.386 20 HB ILE 3 HB ILE 3 1.347 10.043 6.737 21 HG12 ILE 3 2HG1 ILE 3 2.906 12.403 7.889 22 HG13 ILE 3 3HG1 ILE 3 1.637 11.537 8.765 23 HG21 ILE 3 1HG2 ILE 3 3.576 10.430 5.738 24 HG22 ILE 3 2HG2 ILE 3 2.253 10.813 4.587 25 HG23 ILE 3 3HG2 ILE 3 3.132 12.140 5.418 26 HD11 ILE 3 3HD1 ILE 3 4.222 10.313 7.700 27 HD12 ILE 3 1HD1 ILE 3 3.865 10.733 9.409 28 HD13 ILE 3 2HD1 ILE 3 2.934 9.433 8.590 29 H THR 4 H THR 4 0.763 13.415 4.177 30 HA THR 4 HA THR 4 -0.813 11.432 2.685 31 HB THR 4 HB THR 4 -0.643 14.468 2.305 32 HG1 THR 4 HG1 THR 4 -2.990 12.859 2.835 33 HG21 THR 4 3HG2 THR 4 -2.196 12.348 0.742 34 HG22 THR 4 1HG2 THR 4 -2.325 14.126 0.520 35 HG23 THR 4 2HG2 THR 4 -0.783 13.284 0.145 36 H VAL 5 H VAL 5 0.161 10.552 0.856 37 HA VAL 5 HA VAL 5 2.425 12.040 -0.260 38 HB VAL 5 HB VAL 5 3.609 9.880 -0.638 39 HG11 VAL 5 1HG1 VAL 5 4.315 9.494 1.701 40 HG12 VAL 5 2HG1 VAL 5 4.168 11.244 1.327 41 HG13 VAL 5 3HG1 VAL 5 2.889 10.419 2.280 42 HG21 VAL 5 3HG2 VAL 5 1.658 8.385 -0.643 43 HG22 VAL 5 1HG2 VAL 5 2.870 7.849 0.568 44 HG23 VAL 5 2HG2 VAL 5 1.388 8.711 1.103 45 H GLU 6 H GLU 6 2.961 11.250 -2.565 46 HA GLU 6 HA GLU 6 0.657 10.050 -3.901 47 HB2 GLU 6 2HB GLU 6 0.260 12.526 -3.819 48 HB3 GLU 6 3HB GLU 6 1.811 12.785 -4.628 49 HG2 GLU 6 2HG GLU 6 1.006 11.570 -6.627 50 HG3 GLU 6 3HG GLU 6 -0.526 11.214 -5.818 51 H THR 7 H THR 7 1.266 8.789 -5.658 52 HA THR 7 HA THR 7 3.905 9.308 -6.793 53 HB THR 7 HB THR 7 2.890 6.568 -5.870 54 HG1 THR 7 HG1 THR 7 5.084 6.805 -4.705 55 HG21 THR 7 3HG2 THR 7 5.454 7.361 -7.336 56 HG22 THR 7 1HG2 THR 7 5.066 5.725 -6.704 57 HG23 THR 7 2HG2 THR 7 4.080 6.433 -8.028 58 H THR 8 H THR 8 3.891 9.189 -9.043 59 HA THR 8 HA THR 8 1.358 8.281 -10.204 60 HB THR 8 HB THR 8 3.516 10.179 -11.265 61 HG1 THR 8 HG1 THR 8 1.744 11.727 -11.038 62 HG21 THR 8 3HG2 THR 8 0.851 9.319 -12.494 63 HG22 THR 8 1HG2 THR 8 1.946 10.589 -13.138 64 HG23 THR 8 2HG2 THR 8 2.486 8.877 -13.091 65 H VAL 9 H VAL 9 1.347 6.450 -11.491 66 HA VAL 9 HA VAL 9 3.975 5.515 -12.418 67 HB VAL 9 HB VAL 9 3.167 3.199 -12.075 68 HG11 VAL 9 1HG1 VAL 9 3.205 3.178 -9.600 69 HG12 VAL 9 2HG1 VAL 9 4.437 4.295 -10.279 70 HG13 VAL 9 3HG1 VAL 9 2.916 4.951 -9.585 71 HG21 VAL 9 3HG2 VAL 9 0.761 3.598 -12.363 72 HG22 VAL 9 1HG2 VAL 9 1.090 2.777 -10.800 73 HG23 VAL 9 2HG2 VAL 9 0.719 4.534 -10.830 74 H ALA 10 H ALA 10 4.013 4.432 -14.497 75 HA ALA 10 HA ALA 10 1.791 5.222 -16.203 76 HB1 ALA 10 3HB ALA 10 4.507 3.944 -16.787 77 HB2 ALA 10 1HB ALA 10 3.326 4.506 -18.018 78 HB3 ALA 10 2HB ALA 10 4.102 5.689 -16.912 79 H ALA 11 H ALA 11 0.277 3.621 -15.082 80 HA ALA 11 HA ALA 11 0.243 1.239 -16.722 81 HB1 ALA 11 3HB ALA 11 0.351 1.088 -13.669 82 HB2 ALA 11 1HB ALA 11 -0.027 -0.278 -14.773 83 HB3 ALA 11 2HB ALA 11 1.599 0.483 -14.809 84 HA PRO 12 HA PRO 12 -4.104 2.021 -16.638 85 HB2 PRO 12 2HB PRO 12 -4.332 -1.016 -16.443 86 HB3 PRO 12 3HB PRO 12 -5.079 0.067 -17.625 87 HG2 PRO 12 2HG PRO 12 -2.992 -1.420 -18.359 88 HG3 PRO 12 3HG PRO 12 -3.095 0.257 -18.910 89 HD2 PRO 12 2HD PRO 12 -1.383 -0.918 -16.688 90 HD3 PRO 12 3HD PRO 12 -0.960 0.316 -17.882 91 H VAL 13 H VAL 13 -5.869 2.187 -15.272 92 HA VAL 13 HA VAL 13 -5.070 2.377 -12.631 93 HB VAL 13 HB VAL 13 -7.851 2.298 -13.901 94 HG11 VAL 13 1HG1 VAL 13 -8.665 3.333 -11.805 95 HG12 VAL 13 2HG1 VAL 13 -8.014 1.682 -11.527 96 HG13 VAL 13 3HG1 VAL 13 -7.038 3.121 -11.074 97 HG21 VAL 13 3HG2 VAL 13 -6.414 4.149 -14.642 98 HG22 VAL 13 1HG2 VAL 13 -7.745 4.752 -13.597 99 HG23 VAL 13 2HG2 VAL 13 -6.084 4.593 -12.933 100 H GLY 14 H GLY 14 -6.972 -0.227 -14.331 101 HA2 GLY 14 2HA GLY 14 -7.762 -1.575 -11.988 102 HA3 GLY 14 3HA GLY 14 -7.677 -2.235 -13.627 103 H LYS 15 H LYS 15 -4.842 -1.947 -14.146 104 HA LYS 15 HA LYS 15 -3.867 -4.220 -12.771 105 HB2 LYS 15 2HB LYS 15 -2.574 -2.111 -14.559 106 HB3 LYS 15 3HB LYS 15 -1.685 -3.494 -13.907 107 HG2 LYS 15 2HG LYS 15 -3.306 -5.041 -15.049 108 HG3 LYS 15 3HG LYS 15 -4.127 -3.637 -15.744 109 HD2 LYS 15 2HD LYS 15 -1.984 -2.944 -16.852 110 HD3 LYS 15 3HD LYS 15 -1.181 -4.366 -16.174 111 HE2 LYS 15 2HE LYS 15 -2.798 -5.852 -17.377 112 HE3 LYS 15 3HE LYS 15 -3.598 -4.429 -18.057 113 HZ1 LYS 15 3HZ LYS 15 -0.781 -5.180 -18.519 114 HZ2 LYS 15 1HZ LYS 15 -2.005 -5.362 -19.583 115 HZ3 LYS 15 2HZ LYS 15 -1.519 -3.866 -19.147 116 H VAL 16 H VAL 16 -3.396 -0.649 -12.349 117 HA VAL 16 HA VAL 16 -1.292 -0.876 -10.515 118 HB VAL 16 HB VAL 16 -3.416 1.272 -10.984 119 HG11 VAL 16 1HG1 VAL 16 -1.991 2.775 -9.631 120 HG12 VAL 16 2HG1 VAL 16 -2.640 1.412 -8.657 121 HG13 VAL 16 3HG1 VAL 16 -0.932 1.387 -9.212 122 HG21 VAL 16 3HG2 VAL 16 -1.841 0.905 -12.835 123 HG22 VAL 16 1HG2 VAL 16 -1.531 2.483 -12.035 124 HG23 VAL 16 2HG2 VAL 16 -0.455 1.084 -11.707 125 H TRP 17 H TRP 17 -4.908 -0.635 -10.061 126 HA TRP 17 HA TRP 17 -4.836 -0.578 -7.258 127 HB2 TRP 17 2HB TRP 17 -6.801 -0.002 -8.696 128 HB3 TRP 17 3HB TRP 17 -6.944 -1.698 -9.176 129 HD1 TRP 17 HD1 TRP 17 -7.697 0.687 -6.262 130 HE1 TRP 17 HE1 TRP 17 -9.137 -0.556 -4.508 131 HE3 TRP 17 HE3 TRP 17 -7.381 -4.069 -8.181 132 HZ2 TRP 17 HZ2 TRP 17 -10.021 -3.176 -3.997 133 HZ3 TRP 17 HZ3 TRP 17 -8.554 -5.907 -6.996 134 HH2 TRP 17 HH2 TRP 17 -9.860 -5.465 -4.932 135 H ARG 18 H ARG 18 -5.014 -3.361 -9.609 136 HA ARG 18 HA ARG 18 -5.409 -5.282 -7.581 137 HB2 ARG 18 2HB ARG 18 -4.541 -5.440 -10.467 138 HB3 ARG 18 3HB ARG 18 -4.602 -6.869 -9.427 139 HG2 ARG 18 2HG ARG 18 -7.011 -6.437 -8.983 140 HG3 ARG 18 3HG ARG 18 -6.946 -5.017 -10.036 141 HD2 ARG 18 2HD ARG 18 -6.379 -6.422 -11.941 142 HD3 ARG 18 3HD ARG 18 -6.352 -7.853 -10.903 143 HE ARG 18 HE ARG 18 -8.893 -6.619 -10.668 144 HH11 ARG 18 1HH1 ARG 18 -6.981 -8.317 -13.078 145 HH12 ARG 18 2HH1 ARG 18 -8.367 -8.976 -13.880 146 HH21 ARG 18 1HH2 ARG 18 -10.659 -7.459 -11.711 147 HH22 ARG 18 2HH2 ARG 18 -10.481 -8.483 -13.096 148 H ALA 19 H ALA 19 -2.444 -3.965 -9.207 149 HA ALA 19 HA ALA 19 -0.673 -5.830 -8.038 150 HB1 ALA 19 3HB ALA 19 -0.246 -2.973 -9.039 151 HB2 ALA 19 1HB ALA 19 1.050 -4.165 -8.685 152 HB3 ALA 19 2HB ALA 19 -0.117 -4.474 -10.016 153 H TYR 20 H TYR 20 -2.093 -2.724 -6.879 154 HA TYR 20 HA TYR 20 -0.226 -2.282 -4.825 155 HB2 TYR 20 2HB TYR 20 -1.803 -0.582 -5.715 156 HB3 TYR 20 3HB TYR 20 -3.172 -1.500 -5.076 157 HD1 TYR 20 HD1 TYR 20 -0.004 0.202 -3.973 158 HD2 TYR 20 HD2 TYR 20 -3.962 -1.067 -2.909 159 HE1 TYR 20 HE1 TYR 20 0.194 1.408 -1.820 160 HE2 TYR 20 HE2 TYR 20 -3.772 0.134 -0.753 161 HH TYR 20 HH TYR 20 -1.071 2.300 -0.082 162 H THR 21 H THR 21 -2.957 -4.545 -5.119 163 HA THR 21 HA THR 21 -2.668 -5.108 -2.247 164 HB THR 21 HB THR 21 -5.054 -5.844 -2.294 165 HG1 THR 21 HG1 THR 21 -5.103 -4.580 -4.917 166 HG21 THR 21 3HG2 THR 21 -4.593 -2.980 -3.263 167 HG22 THR 21 1HG2 THR 21 -6.061 -3.583 -2.423 168 HG23 THR 21 2HG2 THR 21 -4.483 -3.557 -1.566 169 H THR 22 H THR 22 -1.275 -6.285 -4.752 170 HA THR 22 HA THR 22 -2.183 -9.036 -4.430 171 HB THR 22 HB THR 22 0.001 -7.772 -6.168 172 HG1 THR 22 HG1 THR 22 -2.096 -7.319 -6.953 173 HG21 THR 22 3HG2 THR 22 -1.012 -10.655 -6.043 174 HG22 THR 22 1HG2 THR 22 0.150 -9.999 -7.245 175 HG23 THR 22 2HG2 THR 22 0.601 -10.074 -5.508 176 HA PRO 23 HA PRO 23 0.642 -9.503 -0.998 177 HB2 PRO 23 2HB PRO 23 0.238 -12.428 -1.800 178 HB3 PRO 23 3HB PRO 23 0.096 -11.701 -0.193 179 HG2 PRO 23 2HG PRO 23 -2.119 -12.334 -1.530 180 HG3 PRO 23 3HG PRO 23 -2.058 -10.810 -0.636 181 HD2 PRO 23 2HD PRO 23 -1.809 -11.277 -3.625 182 HD3 PRO 23 3HD PRO 23 -2.618 -9.958 -2.769 183 H GLU 24 H GLU 24 1.131 -11.362 -4.071 184 HA GLU 24 HA GLU 24 3.815 -11.978 -3.496 185 HB2 GLU 24 2HB GLU 24 2.237 -11.686 -6.091 186 HB3 GLU 24 3HB GLU 24 3.923 -12.219 -6.045 187 HG2 GLU 24 2HG GLU 24 3.298 -14.174 -4.663 188 HG3 GLU 24 3HG GLU 24 1.617 -13.626 -4.610 189 H ASP 25 H ASP 25 2.235 -9.074 -4.948 190 HA ASP 25 HA ASP 25 4.739 -7.928 -5.747 191 HB2 ASP 25 2HB ASP 25 1.893 -6.865 -5.459 192 HB3 ASP 25 3HB ASP 25 3.247 -5.856 -5.983 193 H ILE 26 H ILE 26 2.505 -7.631 -2.898 194 HA ILE 26 HA ILE 26 3.670 -5.305 -1.895 195 HB ILE 26 HB ILE 26 2.120 -7.587 -0.576 196 HG12 ILE 26 2HG1 ILE 26 1.292 -4.714 -1.182 197 HG13 ILE 26 3HG1 ILE 26 1.034 -6.051 -2.309 198 HG21 ILE 26 1HG2 ILE 26 1.834 -6.094 1.372 199 HG22 ILE 26 2HG2 ILE 26 3.556 -6.537 1.116 200 HG23 ILE 26 3HG2 ILE 26 2.965 -4.913 0.629 201 HD11 ILE 26 3HD1 ILE 26 -0.085 -5.868 0.525 202 HD12 ILE 26 1HD1 ILE 26 -0.992 -5.595 -1.001 203 HD13 ILE 26 2HD1 ILE 26 -0.347 -7.227 -0.620 204 H LYS 27 H LYS 27 4.394 -8.822 -1.280 205 HA LYS 27 HA LYS 27 6.079 -8.373 0.916 206 HB2 LYS 27 2HB LYS 27 6.727 -10.665 0.627 207 HB3 LYS 27 3HB LYS 27 5.005 -10.547 0.240 208 HG2 LYS 27 2HG LYS 27 5.557 -10.538 -2.197 209 HG3 LYS 27 3HG LYS 27 7.277 -10.663 -1.807 210 HD2 LYS 27 2HD LYS 27 6.807 -12.820 -0.576 211 HD3 LYS 27 3HD LYS 27 5.113 -12.704 -1.070 212 HE2 LYS 27 2HE LYS 27 5.813 -12.719 -3.474 213 HE3 LYS 27 3HE LYS 27 7.506 -12.839 -2.978 214 HZ1 LYS 27 3HZ LYS 27 5.412 -14.830 -2.374 215 HZ2 LYS 27 1HZ LYS 27 6.583 -14.987 -3.501 216 HZ3 LYS 27 2HZ LYS 27 6.976 -14.941 -1.917 217 H GLN 28 H GLN 28 6.566 -7.796 -2.520 218 HA GLN 28 HA GLN 28 9.451 -8.042 -2.315 219 HB2 GLN 28 2HB GLN 28 7.529 -7.175 -4.527 220 HB3 GLN 28 3HB GLN 28 9.288 -7.142 -4.706 221 HG2 GLN 28 2HG GLN 28 9.373 -9.597 -4.272 222 HG3 GLN 28 3HG GLN 28 7.612 -9.625 -4.111 223 HE21 GLN 28 1HE2 GLN 28 6.354 -9.753 -5.924 224 HE22 GLN 28 2HE2 GLN 28 6.961 -9.741 -7.546 225 H TRP 29 H TRP 29 6.948 -5.567 -1.900 226 HA TRP 29 HA TRP 29 8.737 -3.408 -2.626 227 HB2 TRP 29 2HB TRP 29 5.919 -3.435 -1.431 228 HB3 TRP 29 3HB TRP 29 6.775 -1.996 -2.000 229 HD1 TRP 29 HD1 TRP 29 7.896 -4.048 -4.604 230 HE1 TRP 29 HE1 TRP 29 6.290 -4.170 -6.626 231 HE3 TRP 29 HE3 TRP 29 3.615 -2.343 -2.331 232 HZ2 TRP 29 HZ2 TRP 29 3.587 -3.628 -7.190 233 HZ3 TRP 29 HZ3 TRP 29 1.533 -2.174 -3.688 234 HH2 TRP 29 HH2 TRP 29 1.515 -2.797 -6.054 235 H ASN 30 H ASN 30 8.223 -5.351 0.181 236 HA ASN 30 HA ASN 30 8.435 -3.639 2.284 237 HB2 ASN 30 2HB ASN 30 8.332 -6.127 2.380 238 HB3 ASN 30 3HB ASN 30 10.024 -6.201 1.871 239 HD21 ASN 30 1HD2 ASN 30 8.855 -7.212 4.273 240 HD22 ASN 30 2HD2 ASN 30 9.720 -6.469 5.577 241 H ALA 31 H ALA 31 10.064 -2.384 3.284 242 HA ALA 31 HA ALA 31 11.836 -1.256 1.383 243 HB1 ALA 31 3HB ALA 31 11.578 -0.882 4.407 244 HB2 ALA 31 1HB ALA 31 12.502 0.182 3.294 245 HB3 ALA 31 2HB ALA 31 10.717 0.057 3.140 246 H ALA 32 H ALA 32 12.200 -3.793 3.867 247 HA ALA 32 HA ALA 32 15.023 -3.366 4.167 248 HB1 ALA 32 3HB ALA 32 13.178 -5.665 4.985 249 HB2 ALA 32 1HB ALA 32 14.879 -5.446 5.518 250 HB3 ALA 32 2HB ALA 32 13.628 -4.250 5.996 251 H SER 33 H SER 33 16.183 -5.892 4.100 252 HA SER 33 HA SER 33 16.664 -5.923 1.257 253 HB2 SER 33 2HB SER 33 18.585 -7.246 1.842 254 HB3 SER 33 3HB SER 33 18.455 -5.934 3.021 255 HG SER 33 HG SER 33 18.865 -7.857 4.123 256 H ASP 34 H ASP 34 16.725 -7.906 -0.067 257 HA ASP 34 HA ASP 34 14.596 -9.748 0.643 258 HB2 ASP 34 2HB ASP 34 14.922 -10.606 -1.618 259 HB3 ASP 34 3HB ASP 34 14.766 -8.845 -1.648 260 H ASP 35 H ASP 35 17.623 -9.536 1.831 261 HA ASP 35 HA ASP 35 18.352 -12.328 1.215 262 HB2 ASP 35 2HB ASP 35 19.927 -10.563 0.400 263 HB3 ASP 35 3HB ASP 35 20.097 -9.960 2.054 264 H TRP 36 H TRP 36 18.335 -9.781 3.839 265 HA TRP 36 HA TRP 36 18.752 -11.964 5.767 266 HB2 TRP 36 2HB TRP 36 19.096 -8.932 5.989 267 HB3 TRP 36 3HB TRP 36 19.344 -10.075 7.316 268 HD1 TRP 36 HD1 TRP 36 21.129 -8.484 4.416 269 HE1 TRP 36 HE1 TRP 36 23.504 -9.482 4.172 270 HE3 TRP 36 HE3 TRP 36 20.647 -12.495 7.590 271 HZ2 TRP 36 HZ2 TRP 36 24.975 -11.656 5.180 272 HZ3 TRP 36 HZ3 TRP 36 22.598 -14.007 7.905 273 HH2 TRP 36 HH2 TRP 36 24.711 -13.601 6.737 274 H HIS 37 H HIS 37 16.161 -10.521 4.312 275 HA HIS 37 HA HIS 37 14.586 -10.706 6.782 276 HB2 HIS 37 2HB HIS 37 15.083 -8.293 6.321 277 HB3 HIS 37 3HB HIS 37 14.371 -8.464 4.712 278 HD2 HIS 37 HD2 HIS 37 11.620 -8.155 4.625 279 HE1 HIS 37 HE1 HIS 37 10.959 -8.130 8.854 280 H THR 38 H THR 38 12.764 -11.963 6.506 281 HA THR 38 HA THR 38 12.093 -12.621 3.726 282 HB THR 38 HB THR 38 11.591 -14.148 6.334 283 HG1 THR 38 HG1 THR 38 13.089 -15.664 5.311 284 HG21 THR 38 3HG2 THR 38 10.943 -14.885 3.436 285 HG22 THR 38 1HG2 THR 38 10.753 -15.959 4.863 286 HG23 THR 38 2HG2 THR 38 9.753 -14.474 4.717 287 H THR 39 H THR 39 10.007 -12.223 2.949 288 HA THR 39 HA THR 39 8.075 -11.258 4.939 289 HB THR 39 HB THR 39 8.591 -10.095 2.152 290 HG1 THR 39 HG1 THR 39 9.732 -8.555 3.171 291 HG21 THR 39 3HG2 THR 39 6.652 -9.264 4.367 292 HG22 THR 39 1HG2 THR 39 6.932 -8.382 2.827 293 HG23 THR 39 2HG2 THR 39 6.211 -10.027 2.802 294 H ALA 40 H ALA 40 5.971 -12.079 4.706 295 HA ALA 40 HA ALA 40 5.177 -13.004 2.059 296 HB1 ALA 40 3HB ALA 40 5.025 -14.730 4.580 297 HB2 ALA 40 1HB ALA 40 4.264 -15.115 2.999 298 HB3 ALA 40 2HB ALA 40 6.053 -15.037 3.140 299 H ALA 41 H ALA 41 2.901 -12.859 1.696 300 HA ALA 41 HA ALA 41 1.405 -11.607 3.894 301 HB1 ALA 41 3HB ALA 41 1.750 -10.498 1.066 302 HB2 ALA 41 1HB ALA 41 0.627 -9.859 2.313 303 HB3 ALA 41 2HB ALA 41 2.401 -9.781 2.578 304 H THR 42 H THR 42 -0.903 -11.887 3.761 305 HA THR 42 HA THR 42 -1.838 -13.102 1.267 306 HB THR 42 HB THR 42 -2.729 -13.868 4.099 307 HG1 THR 42 HG1 THR 42 -1.871 -15.966 3.427 308 HG21 THR 42 3HG2 THR 42 -3.668 -14.857 1.361 309 HG22 THR 42 1HG2 THR 42 -4.178 -15.518 2.951 310 HG23 THR 42 2HG2 THR 42 -4.609 -13.834 2.499 311 H VAL 43 H VAL 43 -3.644 -12.068 0.396 312 HA VAL 43 HA VAL 43 -4.953 -10.115 2.157 313 HB VAL 43 HB VAL 43 -4.072 -9.737 -0.751 314 HG11 VAL 43 1HG1 VAL 43 -5.011 -7.458 -0.525 315 HG12 VAL 43 2HG1 VAL 43 -6.274 -8.722 -0.344 316 HG13 VAL 43 3HG1 VAL 43 -5.632 -7.880 1.106 317 HG21 VAL 43 3HG2 VAL 43 -2.239 -9.498 0.869 318 HG22 VAL 43 1HG2 VAL 43 -2.689 -7.905 0.173 319 HG23 VAL 43 2HG2 VAL 43 -3.223 -8.344 1.831 320 H ASP 44 H ASP 44 -7.173 -10.389 2.216 321 HA ASP 44 HA ASP 44 -8.433 -11.852 0.021 322 HB2 ASP 44 2HB ASP 44 -8.953 -12.434 2.392 323 HB3 ASP 44 3HB ASP 44 -9.527 -10.784 2.670 324 H LEU 45 H LEU 45 -9.196 -10.720 -1.724 325 HA LEU 45 HA LEU 45 -9.302 -7.828 -1.481 326 HB2 LEU 45 2HB LEU 45 -9.638 -9.737 -3.847 327 HB3 LEU 45 3HB LEU 45 -9.617 -7.972 -3.964 328 HG LEU 45 HG LEU 45 -7.292 -9.717 -2.995 329 HD11 LEU 45 1HD1 LEU 45 -6.223 -9.016 -5.105 330 HD12 LEU 45 2HD1 LEU 45 -7.738 -9.933 -5.406 331 HD13 LEU 45 3HD1 LEU 45 -7.722 -8.146 -5.577 332 HD21 LEU 45 3HD2 LEU 45 -7.368 -7.511 -1.888 333 HD22 LEU 45 1HD2 LEU 45 -6.011 -7.600 -3.062 334 HD23 LEU 45 2HD2 LEU 45 -7.510 -6.707 -3.487 335 H ARG 46 H ARG 46 -11.221 -7.493 -0.178 336 HA ARG 46 HA ARG 46 -13.501 -7.187 -1.834 337 HB2 ARG 46 2HB ARG 46 -15.088 -8.547 -0.650 338 HB3 ARG 46 3HB ARG 46 -13.825 -9.547 -1.380 339 HG2 ARG 46 2HG ARG 46 -12.694 -9.683 0.858 340 HG3 ARG 46 3HG ARG 46 -14.034 -8.768 1.560 341 HD2 ARG 46 2HD ARG 46 -15.594 -10.504 1.045 342 HD3 ARG 46 3HD ARG 46 -14.393 -11.380 0.087 343 HE ARG 46 HE ARG 46 -13.422 -12.190 2.045 344 HH11 ARG 46 1HH1 ARG 46 -15.857 -9.790 2.860 345 HH12 ARG 46 2HH1 ARG 46 -15.911 -10.245 4.530 346 HH21 ARG 46 1HH2 ARG 46 -13.496 -12.756 4.189 347 HH22 ARG 46 2HH2 ARG 46 -14.556 -11.947 5.295 348 H GLU 47 H GLU 47 -15.204 -5.891 -0.751 349 HA GLU 47 HA GLU 47 -14.285 -4.139 1.241 350 HB2 GLU 47 2HB GLU 47 -16.145 -3.715 -0.387 351 HB3 GLU 47 3HB GLU 47 -17.140 -4.905 0.461 352 HG2 GLU 47 2HG GLU 47 -17.070 -3.521 2.522 353 HG3 GLU 47 3HG GLU 47 -16.031 -2.342 1.711 354 H GLY 48 H GLY 48 -14.056 -4.387 3.438 355 HA2 GLY 48 2HA GLY 48 -14.586 -5.166 5.528 356 HA3 GLY 48 3HA GLY 48 -15.757 -6.293 4.830 357 H GLY 49 H GLY 49 -13.065 -6.747 2.885 358 HA2 GLY 49 2HA GLY 49 -12.576 -9.281 4.102 359 HA3 GLY 49 3HA GLY 49 -11.790 -8.591 2.676 360 H ALA 50 H ALA 50 -10.486 -10.112 4.858 361 HA ALA 50 HA ALA 50 -9.034 -8.009 6.300 362 HB1 ALA 50 3HB ALA 50 -9.156 -11.044 6.654 363 HB2 ALA 50 1HB ALA 50 -8.233 -9.904 7.690 364 HB3 ALA 50 2HB ALA 50 -10.027 -9.821 7.640 365 H PHE 51 H PHE 51 -6.672 -8.013 6.366 366 HA PHE 51 HA PHE 51 -5.374 -9.868 4.507 367 HB2 PHE 51 2HB PHE 51 -3.998 -8.060 3.580 368 HB3 PHE 51 3HB PHE 51 -5.711 -7.789 3.231 369 HD1 PHE 51 HD1 PHE 51 -6.947 -5.967 4.310 370 HD2 PHE 51 HD2 PHE 51 -2.779 -6.612 5.129 371 HE1 PHE 51 HE1 PHE 51 -6.794 -3.710 5.310 372 HE2 PHE 51 HE2 PHE 51 -2.629 -4.356 6.135 373 HZ PHE 51 HZ PHE 51 -4.635 -2.900 6.228 374 H SER 52 H SER 52 -3.021 -10.114 4.962 375 HA SER 52 HA SER 52 -2.138 -9.091 7.541 376 HB2 SER 52 2HB SER 52 -3.453 -11.069 8.160 377 HB3 SER 52 3HB SER 52 -2.601 -12.050 6.961 378 HG SER 52 HG SER 52 -1.105 -10.639 8.941 379 H SER 53 H SER 53 0.139 -9.088 7.745 380 HA SER 53 HA SER 53 1.616 -10.478 5.607 381 HB2 SER 53 2HB SER 53 1.457 -8.102 4.999 382 HB3 SER 53 3HB SER 53 2.016 -7.622 6.607 383 HG SER 53 HG SER 53 3.716 -7.605 5.036 384 H ARG 54 H ARG 54 3.124 -11.849 6.451 385 HA ARG 54 HA ARG 54 3.965 -11.328 9.217 386 HB2 ARG 54 2HB ARG 54 2.847 -13.471 8.826 387 HB3 ARG 54 3HB ARG 54 4.055 -13.892 7.605 388 HG2 ARG 54 2HG ARG 54 5.835 -13.730 9.374 389 HG3 ARG 54 3HG ARG 54 4.571 -13.430 10.574 390 HD2 ARG 54 2HD ARG 54 3.584 -15.594 10.148 391 HD3 ARG 54 3HD ARG 54 4.724 -15.895 8.830 392 HE ARG 54 HE ARG 54 6.409 -16.345 10.388 393 HH11 ARG 54 1HH1 ARG 54 3.530 -15.205 12.048 394 HH12 ARG 54 2HH1 ARG 54 4.066 -15.759 13.599 395 HH21 ARG 54 1HH2 ARG 54 7.087 -17.040 12.382 396 HH22 ARG 54 2HH2 ARG 54 6.108 -16.812 13.793 397 H MET 55 H MET 55 6.024 -10.622 9.607 398 HA MET 55 HA MET 55 7.997 -11.078 7.454 399 HB2 MET 55 2HB MET 55 7.702 -8.742 9.403 400 HB3 MET 55 3HB MET 55 9.072 -8.976 8.310 401 HG2 MET 55 2HG MET 55 7.547 -8.812 6.352 402 HG3 MET 55 3HG MET 55 6.168 -8.598 7.438 403 HE1 MET 55 3HE MET 55 7.452 -6.539 9.759 404 HE2 MET 55 1HE MET 55 6.687 -5.105 8.995 405 HE3 MET 55 2HE MET 55 5.820 -6.677 9.021 406 H GLU 56 H GLU 56 9.931 -12.054 8.028 407 HA GLU 56 HA GLU 56 10.464 -12.295 10.917 408 HB2 GLU 56 2HB GLU 56 10.650 -14.449 8.759 409 HB3 GLU 56 3HB GLU 56 11.380 -14.595 10.363 410 HG2 GLU 56 2HG GLU 56 9.104 -14.354 11.397 411 HG3 GLU 56 3HG GLU 56 8.395 -14.274 9.779 412 H ALA 57 H ALA 57 12.683 -12.192 11.520 413 HA ALA 57 HA ALA 57 14.485 -11.149 9.524 414 HB1 ALA 57 3HB ALA 57 14.871 -11.955 12.448 415 HB2 ALA 57 1HB ALA 57 16.070 -11.086 11.433 416 HB3 ALA 57 2HB ALA 57 14.503 -10.306 11.837 417 H LYS 58 H LYS 58 16.252 -12.181 8.560 418 HA LYS 58 HA LYS 58 16.053 -14.938 8.156 419 HB2 LYS 58 2HB LYS 58 17.122 -13.393 6.575 420 HB3 LYS 58 3HB LYS 58 18.368 -12.983 7.761 421 HG2 LYS 58 2HG LYS 58 19.361 -14.525 6.216 422 HG3 LYS 58 3HG LYS 58 19.111 -15.411 7.726 423 HD2 LYS 58 2HD LYS 58 17.063 -16.453 6.839 424 HD3 LYS 58 3HD LYS 58 17.152 -15.469 5.372 425 HE2 LYS 58 2HE LYS 58 19.354 -16.530 4.806 426 HE3 LYS 58 3HE LYS 58 19.241 -17.526 6.262 427 HZ1 LYS 58 3HZ LYS 58 17.327 -17.572 4.018 428 HZ2 LYS 58 1HZ LYS 58 18.467 -18.699 4.326 429 HZ3 LYS 58 2HZ LYS 58 17.223 -18.492 5.363 430 H ASP 59 H ASP 59 17.773 -13.036 10.662 431 HA ASP 59 HA ASP 59 19.463 -15.276 11.369 432 HB2 ASP 59 2HB ASP 59 20.371 -13.772 13.027 433 HB3 ASP 59 3HB ASP 59 20.229 -12.903 11.493 434 H GLY 60 H GLY 60 16.164 -14.500 11.926 435 HA2 GLY 60 2HA GLY 60 14.713 -15.856 12.990 436 HA3 GLY 60 3HA GLY 60 16.067 -16.840 13.560 437 H SER 61 H SER 61 16.237 -13.367 14.255 438 HA SER 61 HA SER 61 16.201 -14.073 17.075 439 HB2 SER 61 2HB SER 61 17.138 -11.848 17.377 440 HB3 SER 61 3HB SER 61 18.017 -12.695 16.098 441 HG SER 61 HG SER 61 17.043 -11.455 14.543 442 H MET 62 H MET 62 14.129 -12.424 14.671 443 HA MET 62 HA MET 62 12.120 -11.910 16.665 444 HB2 MET 62 2HB MET 62 12.111 -9.483 16.406 445 HB3 MET 62 3HB MET 62 13.654 -10.024 17.082 446 HG2 MET 62 2HG MET 62 14.678 -9.851 14.790 447 HG3 MET 62 3HG MET 62 13.142 -9.224 14.178 448 HE1 MET 62 3HE MET 62 12.305 -6.756 16.642 449 HE2 MET 62 1HE MET 62 12.769 -5.780 15.207 450 HE3 MET 62 2HE MET 62 11.953 -7.366 14.990 451 H GLY 63 H GLY 63 10.125 -10.894 15.624 452 HA2 GLY 63 2HA GLY 63 10.168 -10.358 12.829 453 HA3 GLY 63 3HA GLY 63 9.463 -11.946 13.156 454 H PHE 64 H PHE 64 7.792 -10.085 11.988 455 HA PHE 64 HA PHE 64 6.135 -9.167 14.248 456 HB2 PHE 64 2HB PHE 64 6.721 -7.750 11.602 457 HB3 PHE 64 3HB PHE 64 5.495 -7.238 12.769 458 HD1 PHE 64 HD1 PHE 64 6.183 -6.412 15.029 459 HD2 PHE 64 HD2 PHE 64 9.053 -7.295 11.955 460 HE1 PHE 64 HE1 PHE 64 7.890 -5.091 16.242 461 HE2 PHE 64 HE2 PHE 64 10.760 -5.977 13.172 462 HZ PHE 64 HZ PHE 64 10.181 -4.871 15.314 463 H ASP 65 H ASP 65 3.886 -9.517 14.041 464 HA ASP 65 HA ASP 65 3.014 -10.588 11.430 465 HB2 ASP 65 2HB ASP 65 2.830 -12.213 13.301 466 HB3 ASP 65 3HB ASP 65 1.875 -11.049 14.229 467 H PHE 66 H PHE 66 1.914 -9.059 10.265 468 HA PHE 66 HA PHE 66 0.543 -6.958 11.818 469 HB2 PHE 66 2HB PHE 66 1.929 -6.987 9.105 470 HB3 PHE 66 3HB PHE 66 0.774 -5.722 9.544 471 HD1 PHE 66 HD1 PHE 66 1.973 -6.341 12.631 472 HD2 PHE 66 HD2 PHE 66 3.428 -4.883 8.862 473 HE1 PHE 66 HE1 PHE 66 3.772 -5.107 13.802 474 HE2 PHE 66 HE2 PHE 66 5.228 -3.652 10.033 475 HZ PHE 66 HZ PHE 66 5.398 -3.756 12.505 476 H ALA 67 H ALA 67 -1.622 -6.435 11.338 477 HA ALA 67 HA ALA 67 -2.905 -7.963 9.197 478 HB1 ALA 67 3HB ALA 67 -3.755 -8.000 12.135 479 HB2 ALA 67 1HB ALA 67 -4.691 -8.686 10.765 480 HB3 ALA 67 2HB ALA 67 -3.095 -9.384 11.200 481 H GLY 68 H GLY 68 -4.899 -7.011 8.432 482 HA2 GLY 68 2HA GLY 68 -5.905 -4.683 9.847 483 HA3 GLY 68 3HA GLY 68 -5.146 -4.347 8.285 484 H THR 69 H THR 69 -7.796 -3.673 8.468 485 HA THR 69 HA THR 69 -9.109 -5.855 7.009 486 HB THR 69 HB THR 69 -10.378 -4.032 9.121 487 HG1 THR 69 HG1 THR 69 -10.654 -6.094 10.240 488 HG21 THR 69 3HG2 THR 69 -11.559 -6.295 7.436 489 HG22 THR 69 1HG2 THR 69 -12.404 -5.410 8.751 490 HG23 THR 69 2HG2 THR 69 -11.913 -4.543 7.257 491 H TYR 70 H TYR 70 -10.340 -5.199 5.191 492 HA TYR 70 HA TYR 70 -9.976 -2.459 4.347 493 HB2 TYR 70 2HB TYR 70 -11.331 -4.914 3.128 494 HB3 TYR 70 3HB TYR 70 -11.289 -3.333 2.336 495 HD1 TYR 70 HD1 TYR 70 -8.784 -2.256 2.269 496 HD2 TYR 70 HD2 TYR 70 -9.694 -6.446 2.511 497 HE1 TYR 70 HE1 TYR 70 -6.562 -2.791 1.315 498 HE2 TYR 70 HE2 TYR 70 -7.471 -6.986 1.562 499 HH TYR 70 HH TYR 70 -5.142 -5.772 1.508 500 H THR 71 H THR 71 -11.686 -0.941 3.893 501 HA THR 71 HA THR 71 -14.080 -1.526 5.491 502 HB THR 71 HB THR 71 -14.246 0.893 5.881 503 HG1 THR 71 HG1 THR 71 -12.765 2.340 4.980 504 HG21 THR 71 3HG2 THR 71 -11.416 -0.152 6.388 505 HG22 THR 71 1HG2 THR 71 -12.195 1.229 7.233 506 HG23 THR 71 2HG2 THR 71 -12.851 -0.431 7.430 507 H LYS 72 H LYS 72 -12.801 -0.347 2.342 508 HA LYS 72 HA LYS 72 -15.426 -0.352 1.179 509 HB2 LYS 72 2HB LYS 72 -15.345 1.831 2.463 510 HB3 LYS 72 3HB LYS 72 -13.948 2.305 1.487 511 HG2 LYS 72 2HG LYS 72 -15.311 2.213 -0.572 512 HG3 LYS 72 3HG LYS 72 -16.706 1.631 0.346 513 HD2 LYS 72 2HD LYS 72 -16.580 3.762 1.745 514 HD3 LYS 72 3HD LYS 72 -15.320 4.345 0.649 515 HE2 LYS 72 2HE LYS 72 -16.899 4.112 -1.283 516 HE3 LYS 72 3HE LYS 72 -18.158 3.540 -0.181 517 HZ1 LYS 72 3HZ LYS 72 -16.868 6.190 -0.059 518 HZ2 LYS 72 1HZ LYS 72 -18.368 5.883 -0.624 519 HZ3 LYS 72 2HZ LYS 72 -18.030 5.662 0.958 520 H VAL 73 H VAL 73 -15.272 -0.646 -1.053 521 HA VAL 73 HA VAL 73 -12.798 0.259 -2.312 522 HB VAL 73 HB VAL 73 -14.066 -2.502 -2.710 523 HG11 VAL 73 1HG1 VAL 73 -12.200 -2.890 -4.291 524 HG12 VAL 73 2HG1 VAL 73 -13.263 -1.547 -4.829 525 HG13 VAL 73 3HG1 VAL 73 -11.671 -1.187 -4.078 526 HG21 VAL 73 3HG2 VAL 73 -12.729 -2.348 -0.655 527 HG22 VAL 73 1HG2 VAL 73 -11.894 -3.353 -1.888 528 HG23 VAL 73 2HG2 VAL 73 -11.353 -1.667 -1.586 529 H VAL 74 H VAL 74 -13.166 1.280 -4.296 530 HA VAL 74 HA VAL 74 -15.947 1.153 -5.241 531 HB VAL 74 HB VAL 74 -14.106 3.593 -5.058 532 HG11 VAL 74 1HG1 VAL 74 -16.063 4.860 -5.896 533 HG12 VAL 74 2HG1 VAL 74 -15.495 3.642 -7.088 534 HG13 VAL 74 3HG1 VAL 74 -16.963 3.320 -6.106 535 HG21 VAL 74 3HG2 VAL 74 -15.050 2.934 -2.886 536 HG22 VAL 74 1HG2 VAL 74 -15.806 4.452 -3.477 537 HG23 VAL 74 2HG2 VAL 74 -16.698 2.898 -3.599 538 H GLU 75 H GLU 75 -15.932 0.181 -7.259 539 HA GLU 75 HA GLU 75 -15.342 -0.275 -9.363 540 HB2 GLU 75 2HB GLU 75 -14.650 2.700 -9.253 541 HB3 GLU 75 3HB GLU 75 -14.829 1.762 -10.742 542 HG2 GLU 75 2HG GLU 75 -17.216 1.248 -10.062 543 HG3 GLU 75 3HG GLU 75 -17.010 2.327 -8.676 544 H ASN 76 H ASN 76 -13.174 -0.746 -7.352 545 HA ASN 76 HA ASN 76 -10.987 -1.018 -7.157 546 HB2 ASN 76 2HB ASN 76 -11.030 -1.145 -10.196 547 HB3 ASN 76 3HB ASN 76 -9.756 -1.762 -9.136 548 HD21 ASN 76 1HD2 ASN 76 -12.268 -2.648 -10.971 549 HD22 ASN 76 2HD2 ASN 76 -12.663 -4.158 -10.220 550 H LYS 77 H LYS 77 -11.623 1.683 -6.883 551 HA LYS 77 HA LYS 77 -9.508 3.045 -8.392 552 HB2 LYS 77 2HB LYS 77 -12.479 3.708 -8.354 553 HB3 LYS 77 3HB LYS 77 -11.259 4.952 -8.654 554 HG2 LYS 77 2HG LYS 77 -10.459 3.772 -10.646 555 HG3 LYS 77 3HG LYS 77 -11.513 2.393 -10.307 556 HD2 LYS 77 2HD LYS 77 -13.498 4.043 -10.439 557 HD3 LYS 77 3HD LYS 77 -12.353 5.234 -11.071 558 HE2 LYS 77 2HE LYS 77 -11.786 3.757 -12.962 559 HE3 LYS 77 3HE LYS 77 -12.795 2.464 -12.300 560 HZ1 LYS 77 3HZ LYS 77 -13.705 5.063 -13.341 561 HZ2 LYS 77 1HZ LYS 77 -14.033 3.578 -13.936 562 HZ3 LYS 77 2HZ LYS 77 -14.684 4.050 -12.515 563 H ARG 78 H ARG 78 -11.704 2.784 -5.572 564 HA ARG 78 HA ARG 78 -9.676 4.327 -4.143 565 HB2 ARG 78 2HB ARG 78 -12.655 4.820 -3.950 566 HB3 ARG 78 3HB ARG 78 -11.480 5.352 -2.740 567 HG2 ARG 78 2HG ARG 78 -10.293 6.666 -4.511 568 HG3 ARG 78 3HG ARG 78 -11.531 6.176 -5.675 569 HD2 ARG 78 2HD ARG 78 -13.245 7.313 -4.418 570 HD3 ARG 78 3HD ARG 78 -12.103 7.688 -3.120 571 HE ARG 78 HE ARG 78 -11.126 9.356 -4.464 572 HH11 ARG 78 1HH1 ARG 78 -13.651 7.668 -6.233 573 HH12 ARG 78 2HH1 ARG 78 -13.798 8.908 -7.433 574 HH21 ARG 78 1HH2 ARG 78 -11.317 10.930 -6.014 575 HH22 ARG 78 2HH2 ARG 78 -12.458 10.781 -7.309 576 H ILE 79 H ILE 79 -9.172 3.495 -2.090 577 HA ILE 79 HA ILE 79 -10.806 1.288 -1.136 578 HB ILE 79 HB ILE 79 -9.211 0.234 -2.723 579 HG12 ILE 79 2HG1 ILE 79 -8.338 -0.333 0.143 580 HG13 ILE 79 3HG1 ILE 79 -9.921 -0.811 -0.486 581 HG21 ILE 79 1HG2 ILE 79 -6.783 0.298 -2.262 582 HG22 ILE 79 2HG2 ILE 79 -7.434 1.928 -2.638 583 HG23 ILE 79 3HG2 ILE 79 -7.068 1.477 -0.938 584 HD11 ILE 79 3HD1 ILE 79 -7.220 -1.685 -1.607 585 HD12 ILE 79 1HD1 ILE 79 -8.327 -2.674 -0.595 586 HD13 ILE 79 2HD1 ILE 79 -8.827 -2.171 -2.245 587 H GLU 80 H GLU 80 -10.912 1.362 1.098 588 HA GLU 80 HA GLU 80 -8.728 2.799 2.465 589 HB2 GLU 80 2HB GLU 80 -10.802 4.165 2.331 590 HB3 GLU 80 3HB GLU 80 -11.727 2.846 3.061 591 HG2 GLU 80 2HG GLU 80 -10.245 3.036 5.116 592 HG3 GLU 80 3HG GLU 80 -9.496 4.461 4.385 593 H TYR 81 H TYR 81 -8.002 1.914 4.447 594 HA TYR 81 HA TYR 81 -9.376 -0.453 5.449 595 HB2 TYR 81 2HB TYR 81 -7.194 -1.722 5.428 596 HB3 TYR 81 3HB TYR 81 -7.937 -1.492 3.840 597 HD1 TYR 81 HD1 TYR 81 -6.939 0.054 2.191 598 HD2 TYR 81 HD2 TYR 81 -5.086 -0.627 6.003 599 HE1 TYR 81 HE1 TYR 81 -4.841 1.061 1.348 600 HE2 TYR 81 HE2 TYR 81 -2.984 0.375 5.166 601 HH TYR 81 HH TYR 81 -2.584 1.234 1.747 602 H ALA 82 H ALA 82 -8.486 -1.145 7.597 603 HA ALA 82 HA ALA 82 -7.238 1.172 8.941 604 HB1 ALA 82 3HB ALA 82 -9.332 -0.809 9.963 605 HB2 ALA 82 1HB ALA 82 -8.561 0.494 10.930 606 HB3 ALA 82 2HB ALA 82 -9.613 0.913 9.536 607 H PHE 83 H PHE 83 -5.511 0.785 10.344 608 HA PHE 83 HA PHE 83 -4.706 -2.042 10.595 609 HB2 PHE 83 2HB PHE 83 -3.430 -0.920 8.775 610 HB3 PHE 83 3HB PHE 83 -2.948 0.362 9.895 611 HD1 PHE 83 HD1 PHE 83 -2.722 -3.337 9.338 612 HD2 PHE 83 HD2 PHE 83 -1.030 0.124 11.239 613 HE1 PHE 83 HE1 PHE 83 -0.752 -4.674 10.020 614 HE2 PHE 83 HE2 PHE 83 0.939 -1.212 11.919 615 HZ PHE 83 HZ PHE 83 1.083 -3.612 11.308 616 H GLY 84 H GLY 84 -4.947 -2.462 12.777 617 HA2 GLY 84 2HA GLY 84 -4.573 -2.306 14.981 618 HA3 GLY 84 3HA GLY 84 -3.262 -1.172 14.629 619 H ASP 85 H ASP 85 -3.502 0.805 15.620 620 HA ASP 85 HA ASP 85 -6.241 1.719 16.149 621 HB2 ASP 85 2HB ASP 85 -3.519 2.638 17.193 622 HB3 ASP 85 3HB ASP 85 -5.066 3.381 17.622 623 H ARG 86 H ARG 86 -4.382 1.830 13.509 624 HA ARG 86 HA ARG 86 -4.804 4.719 13.110 625 HB2 ARG 86 2HB ARG 86 -2.524 2.946 12.260 626 HB3 ARG 86 3HB ARG 86 -2.943 4.397 11.340 627 HG2 ARG 86 2HG ARG 86 -1.331 5.219 12.772 628 HG3 ARG 86 3HG ARG 86 -2.812 5.624 13.649 629 HD2 ARG 86 2HD ARG 86 -1.247 4.769 15.201 630 HD3 ARG 86 3HD ARG 86 -2.539 3.577 15.007 631 HE ARG 86 HE ARG 86 -0.467 2.867 13.234 632 HH11 ARG 86 1HH1 ARG 86 -0.938 3.153 16.706 633 HH12 ARG 86 2HH1 ARG 86 0.185 1.888 17.078 634 HH21 ARG 86 1HH2 ARG 86 0.978 1.258 13.727 635 HH22 ARG 86 2HH2 ARG 86 1.286 0.799 15.368 636 H THR 87 H THR 87 -5.086 5.296 10.694 637 HA THR 87 HA THR 87 -6.378 3.080 9.274 638 HB THR 87 HB THR 87 -8.159 4.626 8.515 639 HG1 THR 87 HG1 THR 87 -8.330 6.713 9.614 640 HG21 THR 87 3HG2 THR 87 -7.858 4.540 11.558 641 HG22 THR 87 1HG2 THR 87 -9.385 4.831 10.659 642 HG23 THR 87 2HG2 THR 87 -8.552 3.246 10.524 643 H ALA 88 H ALA 88 -6.497 3.443 6.870 644 HA ALA 88 HA ALA 88 -4.968 5.720 5.881 645 HB1 ALA 88 3HB ALA 88 -4.298 2.805 5.245 646 HB2 ALA 88 1HB ALA 88 -3.603 4.243 4.424 647 HB3 ALA 88 2HB ALA 88 -3.273 3.957 6.166 648 H LYS 89 H LYS 89 -5.536 6.327 3.728 649 HA LYS 89 HA LYS 89 -7.646 4.690 2.494 650 HB2 LYS 89 2HB LYS 89 -8.678 6.551 3.804 651 HB3 LYS 89 3HB LYS 89 -7.700 7.718 2.905 652 HG2 LYS 89 2HG LYS 89 -8.829 7.119 0.803 653 HG3 LYS 89 3HG LYS 89 -9.726 5.827 1.611 654 HD2 LYS 89 2HD LYS 89 -10.822 7.513 3.098 655 HD3 LYS 89 3HD LYS 89 -9.919 8.808 2.301 656 HE2 LYS 89 2HE LYS 89 -10.992 8.262 0.133 657 HE3 LYS 89 3HE LYS 89 -11.842 6.899 0.872 658 HZ1 LYS 89 3HZ LYS 89 -12.191 9.730 1.626 659 HZ2 LYS 89 1HZ LYS 89 -13.234 8.842 0.740 660 HZ3 LYS 89 2HZ LYS 89 -12.975 8.471 2.309 661 H VAL 90 H VAL 90 -7.328 4.373 0.311 662 HA VAL 90 HA VAL 90 -5.193 6.009 -0.881 663 HB VAL 90 HB VAL 90 -5.962 3.107 -1.477 664 HG11 VAL 90 1HG1 VAL 90 -3.909 3.100 -2.861 665 HG12 VAL 90 2HG1 VAL 90 -5.111 4.296 -3.453 666 HG13 VAL 90 3HG1 VAL 90 -3.679 4.848 -2.520 667 HG21 VAL 90 3HG2 VAL 90 -4.876 3.338 0.716 668 HG22 VAL 90 1HG2 VAL 90 -3.775 2.548 -0.462 669 HG23 VAL 90 2HG2 VAL 90 -3.539 4.275 -0.031 670 H GLU 91 H GLU 91 -5.617 7.011 -2.867 671 HA GLU 91 HA GLU 91 -8.121 6.206 -4.207 672 HB2 GLU 91 2HB GLU 91 -6.875 8.985 -3.947 673 HB3 GLU 91 3HB GLU 91 -8.270 8.590 -4.958 674 HG2 GLU 91 2HG GLU 91 -9.536 7.892 -2.909 675 HG3 GLU 91 3HG GLU 91 -8.146 8.340 -1.913 676 H PHE 92 H PHE 92 -8.067 6.064 -6.501 677 HA PHE 92 HA PHE 92 -5.370 6.382 -7.663 678 HB2 PHE 92 2HB PHE 92 -7.560 4.352 -8.333 679 HB3 PHE 92 3HB PHE 92 -6.039 4.539 -9.216 680 HD1 PHE 92 HD1 PHE 92 -7.560 3.485 -6.001 681 HD2 PHE 92 HD2 PHE 92 -3.964 3.676 -8.345 682 HE1 PHE 92 HE1 PHE 92 -6.457 1.912 -4.439 683 HE2 PHE 92 HE2 PHE 92 -2.863 2.102 -6.782 684 HZ PHE 92 HZ PHE 92 -4.109 1.218 -4.827 685 H LEU 93 H LEU 93 -5.230 7.873 -9.293 686 HA LEU 93 HA LEU 93 -7.805 8.821 -10.391 687 HB2 LEU 93 2HB LEU 93 -5.225 10.377 -9.879 688 HB3 LEU 93 3HB LEU 93 -6.729 11.034 -10.538 689 HG LEU 93 HG LEU 93 -6.425 9.856 -7.726 690 HD11 LEU 93 1HD1 LEU 93 -6.587 12.203 -6.978 691 HD12 LEU 93 2HD1 LEU 93 -5.142 11.939 -8.011 692 HD13 LEU 93 3HD1 LEU 93 -6.594 12.749 -8.688 693 HD21 LEU 93 3HD2 LEU 93 -8.693 9.631 -8.673 694 HD22 LEU 93 1HD2 LEU 93 -8.656 10.863 -7.368 695 HD23 LEU 93 2HD2 LEU 93 -8.700 11.378 -9.088 696 H GLU 94 H GLU 94 -8.042 8.813 -12.601 697 HA GLU 94 HA GLU 94 -5.871 7.771 -14.181 698 HB2 GLU 94 2HB GLU 94 -8.254 7.131 -14.532 699 HB3 GLU 94 3HB GLU 94 -8.646 8.807 -14.936 700 HG2 GLU 94 2HG GLU 94 -7.105 8.689 -16.901 701 HG3 GLU 94 3HG GLU 94 -6.727 7.008 -16.499 702 H ALA 95 H ALA 95 -4.241 9.030 -14.990 703 HA ALA 95 HA ALA 95 -4.939 11.807 -15.700 704 HB1 ALA 95 3HB ALA 95 -2.243 10.497 -15.094 705 HB2 ALA 95 1HB ALA 95 -2.493 12.211 -15.570 706 HB3 ALA 95 2HB ALA 95 -3.156 11.605 -14.015 707 HA PRO 96 HA PRO 96 -4.207 10.957 -19.980 708 HB2 PRO 96 2HB PRO 96 -2.839 13.256 -20.758 709 HB3 PRO 96 3HB PRO 96 -4.571 13.291 -20.400 710 HG2 PRO 96 2HG PRO 96 -2.237 14.040 -18.606 711 HG3 PRO 96 3HG PRO 96 -3.754 14.908 -18.872 712 HD2 PRO 96 2HD PRO 96 -3.425 13.358 -16.667 713 HD3 PRO 96 3HD PRO 96 -4.998 13.445 -17.471 714 H GLN 97 H GLN 97 -1.403 11.664 -17.901 715 HA GLN 97 HA GLN 97 0.311 10.524 -20.000 716 HB2 GLN 97 2HB GLN 97 0.948 12.072 -17.437 717 HB3 GLN 97 3HB GLN 97 2.159 11.426 -18.553 718 HG2 GLN 97 2HG GLN 97 1.251 12.870 -20.370 719 HG3 GLN 97 3HG GLN 97 0.047 13.519 -19.250 720 HE21 GLN 97 1HE2 GLN 97 1.173 15.561 -19.994 721 HE22 GLN 97 2HE2 GLN 97 2.537 16.103 -19.074 722 H GLY 98 H GLY 98 -1.405 9.626 -17.137 723 HA2 GLY 98 2HA GLY 98 -0.327 7.067 -17.005 724 HA3 GLY 98 3HA GLY 98 0.584 8.061 -15.861 725 H VAL 99 H VAL 99 -0.482 6.416 -14.293 726 HA VAL 99 HA VAL 99 -3.067 7.566 -13.490 727 HB VAL 99 HB VAL 99 -1.881 4.789 -12.992 728 HG11 VAL 99 1HG1 VAL 99 -3.968 4.310 -11.752 729 HG12 VAL 99 2HG1 VAL 99 -3.005 5.605 -10.964 730 HG13 VAL 99 3HG1 VAL 99 -4.462 6.028 -11.926 731 HG21 VAL 99 3HG2 VAL 99 -2.885 5.095 -15.216 732 HG22 VAL 99 1HG2 VAL 99 -3.900 4.017 -14.199 733 HG23 VAL 99 2HG2 VAL 99 -4.389 5.724 -14.464 734 H THR 100 H THR 100 -3.147 8.605 -11.498 735 HA THR 100 HA THR 100 -0.610 8.650 -10.048 736 HB THR 100 HB THR 100 -3.026 10.533 -10.044 737 HG1 THR 100 HG1 THR 100 -0.261 10.963 -10.847 738 HG21 THR 100 3HG2 THR 100 -0.387 10.718 -8.511 739 HG22 THR 100 1HG2 THR 100 -1.652 11.991 -8.588 740 HG23 THR 100 2HG2 THR 100 -2.008 10.416 -7.800 741 H VAL 101 H VAL 101 -0.433 7.821 -7.966 742 HA VAL 101 HA VAL 101 -2.949 6.898 -6.762 743 HB VAL 101 HB VAL 101 -0.084 5.876 -6.382 744 HG11 VAL 101 1HG1 VAL 101 -1.140 4.047 -5.103 745 HG12 VAL 101 2HG1 VAL 101 -1.427 5.649 -4.344 746 HG13 VAL 101 3HG1 VAL 101 -2.737 4.851 -5.278 747 HG21 VAL 101 3HG2 VAL 101 -0.991 5.314 -8.594 748 HG22 VAL 101 1HG2 VAL 101 -0.891 3.853 -7.554 749 HG23 VAL 101 2HG2 VAL 101 -2.476 4.651 -7.831 750 H ARG 102 H ARG 102 -3.596 7.988 -4.930 751 HA ARG 102 HA ARG 102 -1.492 9.455 -3.481 752 HB2 ARG 102 2HB ARG 102 -2.967 10.948 -4.735 753 HB3 ARG 102 3HB ARG 102 -4.380 10.257 -3.926 754 HG2 ARG 102 2HG ARG 102 -3.520 11.047 -1.737 755 HG3 ARG 102 3HG ARG 102 -2.098 11.729 -2.538 756 HD2 ARG 102 2HD ARG 102 -4.962 12.542 -3.080 757 HD3 ARG 102 3HD ARG 102 -3.858 13.375 -1.978 758 HE ARG 102 HE ARG 102 -2.507 13.334 -4.383 759 HH11 ARG 102 1HH1 ARG 102 -5.689 14.450 -3.392 760 HH12 ARG 102 2HH1 ARG 102 -5.725 15.736 -4.551 761 HH21 ARG 102 1HH2 ARG 102 -2.575 14.978 -5.873 762 HH22 ARG 102 2HH2 ARG 102 -3.940 16.039 -5.976 763 H VAL 103 H VAL 103 -1.251 9.001 -1.322 764 HA VAL 103 HA VAL 103 -3.391 7.380 -0.128 765 HB VAL 103 HB VAL 103 -0.369 7.111 0.294 766 HG11 VAL 103 1HG1 VAL 103 -0.975 5.101 1.607 767 HG12 VAL 103 2HG1 VAL 103 -1.670 6.598 2.317 768 HG13 VAL 103 3HG1 VAL 103 -2.715 5.481 1.376 769 HG21 VAL 103 3HG2 VAL 103 -1.063 6.282 -1.912 770 HG22 VAL 103 1HG2 VAL 103 -0.626 4.920 -0.826 771 HG23 VAL 103 2HG2 VAL 103 -2.353 5.292 -1.149 772 H SER 104 H SER 104 -4.248 8.275 1.739 773 HA SER 104 HA SER 104 -2.425 9.970 3.333 774 HB2 SER 104 2HB SER 104 -5.462 9.995 3.040 775 HB3 SER 104 3HB SER 104 -4.579 10.905 4.273 776 HG SER 104 HG SER 104 -5.042 12.177 2.394 777 H PHE 105 H PHE 105 -1.907 9.257 5.372 778 HA PHE 105 HA PHE 105 -3.583 7.189 6.577 779 HB2 PHE 105 2HB PHE 105 -1.680 5.696 6.914 780 HB3 PHE 105 3HB PHE 105 -1.942 5.965 5.186 781 HD1 PHE 105 HD1 PHE 105 -0.384 7.399 3.887 782 HD2 PHE 105 HD2 PHE 105 0.329 6.455 8.017 783 HE1 PHE 105 HE1 PHE 105 1.976 8.103 3.640 784 HE2 PHE 105 HE2 PHE 105 2.690 7.161 7.768 785 HZ PHE 105 HZ PHE 105 3.517 7.987 5.582 786 H VAL 106 H VAL 106 -3.077 6.853 8.899 787 HA VAL 106 HA VAL 106 -2.385 9.368 10.076 788 HB VAL 106 HB VAL 106 -3.131 6.655 11.288 789 HG11 VAL 106 1HG1 VAL 106 -3.521 7.919 13.382 790 HG12 VAL 106 2HG1 VAL 106 -1.801 7.993 12.867 791 HG13 VAL 106 3HG1 VAL 106 -2.880 9.404 12.600 792 HG21 VAL 106 3HG2 VAL 106 -4.925 7.673 9.952 793 HG22 VAL 106 1HG2 VAL 106 -5.319 7.734 11.703 794 HG23 VAL 106 2HG2 VAL 106 -4.745 9.212 10.859 795 H ALA 107 H ALA 107 -0.452 9.951 11.066 796 HA ALA 107 HA ALA 107 1.828 8.315 10.706 797 HB1 ALA 107 3HB ALA 107 1.345 10.782 12.449 798 HB2 ALA 107 1HB ALA 107 2.949 10.084 12.041 799 HB3 ALA 107 2HB ALA 107 1.915 10.777 10.746 800 H GLU 108 H GLU 108 2.921 6.917 12.085 801 HA GLU 108 HA GLU 108 1.435 5.974 14.359 802 HB2 GLU 108 2HB GLU 108 4.184 5.263 13.223 803 HB3 GLU 108 3HB GLU 108 3.397 4.410 14.557 804 HG2 GLU 108 2HG GLU 108 1.475 3.863 12.998 805 HG3 GLU 108 3HG GLU 108 2.392 4.599 11.677 806 H THR 109 H THR 109 1.859 6.294 16.551 807 HA THR 109 HA THR 109 3.333 8.615 17.193 808 HB THR 109 HB THR 109 2.770 8.020 19.545 809 HG1 THR 109 HG1 THR 109 1.507 6.050 19.875 810 HG21 THR 109 3HG2 THR 109 0.474 7.583 17.572 811 HG22 THR 109 1HG2 THR 109 0.304 8.042 19.300 812 HG23 THR 109 2HG2 THR 109 1.092 9.168 18.145 813 H GLU 110 H GLU 110 4.141 5.151 17.018 814 HA GLU 110 HA GLU 110 6.311 5.327 18.887 815 HB2 GLU 110 2HB GLU 110 5.461 3.238 16.825 816 HB3 GLU 110 3HB GLU 110 6.830 3.033 17.926 817 HG2 GLU 110 2HG GLU 110 5.308 3.201 19.879 818 HG3 GLU 110 3HG GLU 110 3.931 3.466 18.802 819 H TYR 111 H TYR 111 5.859 6.239 15.545 820 HA TYR 111 HA TYR 111 8.787 6.230 15.188 821 HB2 TYR 111 2HB TYR 111 6.612 5.662 13.113 822 HB3 TYR 111 3HB TYR 111 8.335 5.843 12.758 823 HD1 TYR 111 HD1 TYR 111 9.949 4.103 13.412 824 HD2 TYR 111 HD2 TYR 111 5.757 3.645 14.214 825 HE1 TYR 111 HE1 TYR 111 10.298 1.689 13.842 826 HE2 TYR 111 HE2 TYR 111 6.099 1.231 14.645 827 HH TYR 111 HH TYR 111 7.535 -0.443 14.736 828 HA PRO 112 HA PRO 112 8.453 10.577 14.327 829 HB2 PRO 112 2HB PRO 112 10.442 9.955 12.106 830 HB3 PRO 112 3HB PRO 112 10.592 11.135 13.415 831 HG2 PRO 112 2HG PRO 112 12.003 8.875 13.531 832 HG3 PRO 112 3HG PRO 112 11.246 9.499 15.002 833 HD2 PRO 112 2HD PRO 112 10.321 7.220 13.204 834 HD3 PRO 112 3HD PRO 112 10.327 7.305 14.970 835 H VAL 113 H VAL 113 7.323 11.966 13.055 836 HA VAL 113 HA VAL 113 5.545 10.878 11.233 837 HB VAL 113 HB VAL 113 6.558 13.736 11.631 838 HG11 VAL 113 1HG1 VAL 113 4.559 14.458 10.358 839 HG12 VAL 113 2HG1 VAL 113 5.684 13.492 9.344 840 HG13 VAL 113 3HG1 VAL 113 4.183 12.742 9.984 841 HG21 VAL 113 3HG2 VAL 113 5.383 12.756 13.554 842 HG22 VAL 113 1HG2 VAL 113 4.388 14.035 12.781 843 HG23 VAL 113 2HG2 VAL 113 4.003 12.304 12.498 844 H GLU 114 H GLU 114 8.711 12.611 10.675 845 HA GLU 114 HA GLU 114 8.484 12.620 7.865 846 HB2 GLU 114 2HB GLU 114 10.853 12.748 9.787 847 HB3 GLU 114 3HB GLU 114 11.025 12.906 8.034 848 HG2 GLU 114 2HG GLU 114 9.610 14.919 8.030 849 HG3 GLU 114 3HG GLU 114 9.279 14.731 9.757 850 H GLN 115 H GLN 115 9.816 10.208 10.221 851 HA GLN 115 HA GLN 115 11.098 8.624 8.279 852 HB2 GLN 115 2HB GLN 115 11.535 8.536 10.733 853 HB3 GLN 115 3HB GLN 115 9.908 7.898 11.005 854 HG2 GLN 115 2HG GLN 115 11.504 6.074 11.083 855 HG3 GLN 115 3HG GLN 115 10.474 5.881 9.658 856 HE21 GLN 115 1HE2 GLN 115 11.738 4.892 8.181 857 HE22 GLN 115 2HE2 GLN 115 13.295 5.442 7.658 858 H GLN 116 H GLN 116 7.725 8.608 9.632 859 HA GLN 116 HA GLN 116 6.969 6.209 8.346 860 HB2 GLN 116 2HB GLN 116 5.472 8.614 9.474 861 HB3 GLN 116 3HB GLN 116 4.618 7.281 8.685 862 HG2 GLN 116 2HG GLN 116 6.424 7.047 11.138 863 HG3 GLN 116 3HG GLN 116 4.656 7.033 11.145 864 HE21 GLN 116 1HE2 GLN 116 3.688 5.326 9.541 865 HE22 GLN 116 2HE2 GLN 116 4.409 3.752 9.609 866 H GLN 117 H GLN 117 6.821 9.710 7.368 867 HA GLN 117 HA GLN 117 5.304 9.295 5.049 868 HB2 GLN 117 2HB GLN 117 5.685 11.503 6.093 869 HB3 GLN 117 3HB GLN 117 7.417 11.394 5.753 870 HG2 GLN 117 2HG GLN 117 6.935 11.384 3.308 871 HG3 GLN 117 3HG GLN 117 5.204 11.498 3.650 872 HE21 GLN 117 1HE2 GLN 117 5.775 13.450 2.156 873 HE22 GLN 117 2HE2 GLN 117 6.093 14.945 2.970 874 H GLN 118 H GLN 118 8.927 9.404 5.556 875 HA GLN 118 HA GLN 118 9.435 9.192 2.771 876 HB2 GLN 118 2HB GLN 118 11.133 8.818 5.284 877 HB3 GLN 118 3HB GLN 118 11.795 8.657 3.652 878 HG2 GLN 118 2HG GLN 118 11.200 10.987 3.137 879 HG3 GLN 118 3HG GLN 118 10.409 11.165 4.708 880 HE21 GLN 118 1HE2 GLN 118 12.249 12.993 4.248 881 HE22 GLN 118 2HE2 GLN 118 13.726 12.693 5.102 882 H GLY 119 H GLY 119 9.341 6.800 5.520 883 HA2 GLY 119 2HA GLY 119 10.391 4.642 4.059 884 HA3 GLY 119 3HA GLY 119 9.381 4.561 5.509 885 H TRP 120 H TRP 120 6.941 5.731 4.599 886 HA TRP 120 HA TRP 120 5.822 3.571 3.160 887 HB2 TRP 120 2HB TRP 120 4.631 5.043 4.814 888 HB3 TRP 120 3HB TRP 120 4.737 6.385 3.667 889 HD1 TRP 120 HD1 TRP 120 2.888 6.538 1.816 890 HE1 TRP 120 HE1 TRP 120 0.844 5.088 1.171 891 HE3 TRP 120 HE3 TRP 120 3.870 2.425 4.734 892 HZ2 TRP 120 HZ2 TRP 120 -0.208 2.556 1.800 893 HZ3 TRP 120 HZ3 TRP 120 2.284 0.506 4.661 894 HH2 TRP 120 HH2 TRP 120 0.299 0.563 3.232 895 H GLN 121 H GLN 121 6.941 6.889 2.187 896 HA GLN 121 HA GLN 121 5.986 6.773 -0.442 897 HB2 GLN 121 2HB GLN 121 6.822 8.824 0.661 898 HB3 GLN 121 3HB GLN 121 8.447 8.134 0.764 899 HG2 GLN 121 2HG GLN 121 8.417 9.674 -1.082 900 HG3 GLN 121 3HG GLN 121 8.529 8.039 -1.748 901 HE21 GLN 121 1HE2 GLN 121 7.437 8.009 -3.620 902 HE22 GLN 121 2HE2 GLN 121 5.846 8.642 -3.882 903 H ALA 122 H ALA 122 9.046 5.532 1.075 904 HA ALA 122 HA ALA 122 10.303 4.820 -1.333 905 HB1 ALA 122 3HB ALA 122 10.486 3.608 1.468 906 HB2 ALA 122 1HB ALA 122 11.651 3.334 0.129 907 HB3 ALA 122 2HB ALA 122 11.462 4.975 0.834 908 H ILE 123 H ILE 123 7.858 3.106 0.716 909 HA ILE 123 HA ILE 123 8.028 0.667 -0.652 910 HB ILE 123 HB ILE 123 5.767 2.036 0.885 911 HG12 ILE 123 2HG1 ILE 123 7.507 -0.361 1.620 912 HG13 ILE 123 3HG1 ILE 123 7.913 1.304 2.060 913 HG21 ILE 123 1HG2 ILE 123 4.639 -0.163 0.910 914 HG22 ILE 123 2HG2 ILE 123 4.790 0.491 -0.756 915 HG23 ILE 123 3HG2 ILE 123 5.891 -0.814 -0.201 916 HD11 ILE 123 3HD1 ILE 123 5.379 -0.187 2.876 917 HD12 ILE 123 1HD1 ILE 123 6.805 0.145 3.917 918 HD13 ILE 123 2HD1 ILE 123 5.791 1.503 3.322 919 H LEU 124 H LEU 124 5.951 3.624 -1.181 920 HA LEU 124 HA LEU 124 4.568 2.524 -3.400 921 HB2 LEU 124 2HB LEU 124 5.136 5.384 -2.490 922 HB3 LEU 124 3HB LEU 124 4.078 4.977 -3.848 923 HG LEU 124 HG LEU 124 3.632 4.062 -0.959 924 HD11 LEU 124 1HD1 LEU 124 1.795 5.709 -0.960 925 HD12 LEU 124 2HD1 LEU 124 3.390 6.498 -1.207 926 HD13 LEU 124 3HD1 LEU 124 2.283 6.254 -2.601 927 HD21 LEU 124 3HD2 LEU 124 2.722 2.520 -2.661 928 HD22 LEU 124 1HD2 LEU 124 1.405 3.399 -1.814 929 HD23 LEU 124 2HD2 LEU 124 1.893 3.893 -3.470 930 H ASN 125 H ASN 125 7.716 4.242 -3.029 931 HA ASN 125 HA ASN 125 8.125 4.693 -5.776 932 HB2 ASN 125 2HB ASN 125 10.010 4.323 -3.425 933 HB3 ASN 125 3HB ASN 125 10.577 4.670 -5.064 934 HD21 ASN 125 1HD2 ASN 125 11.182 6.337 -3.031 935 HD22 ASN 125 2HD2 ASN 125 10.388 7.856 -3.282 936 H ASN 126 H ASN 126 8.773 1.838 -3.627 937 HA ASN 126 HA ASN 126 10.066 0.311 -5.602 938 HB2 ASN 126 2HB ASN 126 8.474 -0.390 -3.119 939 HB3 ASN 126 3HB ASN 126 9.177 -1.626 -4.170 940 HD21 ASN 126 1HD2 ASN 126 9.825 -1.301 -1.491 941 HD22 ASN 126 2HD2 ASN 126 11.512 -0.918 -1.401 942 H PHE 127 H PHE 127 6.564 0.808 -4.780 943 HA PHE 127 HA PHE 127 5.531 -1.087 -6.560 944 HB2 PHE 127 2HB PHE 127 4.239 0.107 -4.801 945 HB3 PHE 127 3HB PHE 127 4.436 1.629 -5.678 946 HD1 PHE 127 HD1 PHE 127 4.119 -0.931 -8.080 947 HD2 PHE 127 HD2 PHE 127 1.805 1.364 -5.281 948 HE1 PHE 127 HE1 PHE 127 2.066 -1.413 -9.378 949 HE2 PHE 127 HE2 PHE 127 -0.246 0.879 -6.580 950 HZ PHE 127 HZ PHE 127 -0.118 -0.508 -8.632 951 H LYS 128 H LYS 128 6.488 2.395 -7.061 952 HA LYS 128 HA LYS 128 5.650 2.568 -9.719 953 HB2 LYS 128 2HB LYS 128 6.315 4.487 -8.305 954 HB3 LYS 128 3HB LYS 128 7.984 3.902 -8.266 955 HG2 LYS 128 2HG LYS 128 8.222 4.267 -10.685 956 HG3 LYS 128 3HG LYS 128 6.515 4.705 -10.825 957 HD2 LYS 128 2HD LYS 128 6.904 6.640 -9.262 958 HD3 LYS 128 3HD LYS 128 8.619 6.214 -9.185 959 HE2 LYS 128 2HE LYS 128 7.226 6.734 -11.850 960 HE3 LYS 128 3HE LYS 128 7.875 8.059 -10.876 961 HZ1 LYS 128 3HZ LYS 128 9.395 5.789 -11.979 962 HZ2 LYS 128 1HZ LYS 128 9.514 7.359 -12.410 963 HZ3 LYS 128 2HZ LYS 128 10.027 6.876 -10.938 964 H ARG 129 H ARG 129 8.823 1.454 -8.299 965 HA ARG 129 HA ARG 129 10.063 1.062 -10.785 966 HB2 ARG 129 2HB ARG 129 10.552 -0.111 -8.044 967 HB3 ARG 129 3HB ARG 129 11.538 -0.513 -9.456 968 HG2 ARG 129 2HG ARG 129 12.171 1.846 -9.731 969 HG3 ARG 129 3HG ARG 129 11.113 2.312 -8.392 970 HD2 ARG 129 2HD ARG 129 12.463 0.953 -6.855 971 HD3 ARG 129 3HD ARG 129 13.522 0.493 -8.194 972 HE ARG 129 HE ARG 129 13.480 3.302 -8.102 973 HH11 ARG 129 1HH1 ARG 129 14.490 0.661 -6.017 974 HH12 ARG 129 2HH1 ARG 129 15.772 1.571 -5.290 975 HH21 ARG 129 1HH2 ARG 129 15.118 4.462 -7.153 976 HH22 ARG 129 2HH2 ARG 129 16.132 3.754 -5.941 977 H HIS 130 H HIS 130 7.857 -1.011 -8.821 978 HA HIS 130 HA HIS 130 8.214 -3.361 -10.306 979 HB2 HIS 130 2HB HIS 130 7.038 -3.231 -8.126 980 HB3 HIS 130 3HB HIS 130 5.757 -2.254 -8.856 981 HD2 HIS 130 HD2 HIS 130 3.686 -3.720 -9.923 982 HE1 HIS 130 HE1 HIS 130 5.633 -7.533 -9.894 983 H VAL 131 H VAL 131 5.920 -0.553 -10.759 984 HA VAL 131 HA VAL 131 4.677 -1.595 -13.025 985 HB VAL 131 HB VAL 131 5.212 1.270 -12.101 986 HG11 VAL 131 1HG1 VAL 131 3.478 1.965 -13.726 987 HG12 VAL 131 2HG1 VAL 131 4.914 1.257 -14.541 988 HG13 VAL 131 3HG1 VAL 131 3.412 0.287 -14.365 989 HG21 VAL 131 3HG2 VAL 131 3.765 -0.067 -10.631 990 HG22 VAL 131 1HG2 VAL 131 2.818 1.204 -11.477 991 HG23 VAL 131 2HG2 VAL 131 2.726 -0.503 -12.030 992 H GLU 132 H GLU 132 7.718 0.358 -12.623 993 HA GLU 132 HA GLU 132 8.167 0.792 -15.358 994 HB2 GLU 132 2HB GLU 132 10.002 0.569 -12.931 995 HB3 GLU 132 3HB GLU 132 10.602 0.963 -14.547 996 HG2 GLU 132 2HG GLU 132 9.273 3.009 -14.618 997 HG3 GLU 132 3HG GLU 132 8.444 2.583 -13.114 998 H SER 133 H SER 133 8.695 -2.070 -13.259 999 HA SER 133 HA SER 133 10.413 -3.401 -15.119 1000 HB2 SER 133 2HB SER 133 8.687 -4.390 -12.803 1001 HB3 SER 133 3HB SER 133 9.856 -5.382 -13.685 1002 HG SER 133 HG SER 133 10.380 -3.018 -12.122 1003 H HIS 134 H HIS 134 6.988 -2.720 -15.057 1004 HA HIS 134 HA HIS 134 6.406 -5.017 -16.769 1005 HB2 HIS 134 2HB HIS 134 4.703 -2.803 -15.536 1006 HB3 HIS 134 3HB HIS 134 4.068 -3.977 -16.697 1007 HD2 HIS 134 HD2 HIS 134 4.355 -3.630 -12.958 1008 HE1 HIS 134 HE1 HIS 134 4.193 -7.844 -13.694 1009 H LEU 135 H LEU 135 8.081 -2.300 -17.358 1010 HA LEU 135 HA LEU 135 6.662 -1.503 -19.770 1011 HB2 LEU 135 2HB LEU 135 9.427 -0.768 -18.689 1012 HB3 LEU 135 3HB LEU 135 8.614 -0.007 -20.064 1013 HG LEU 135 HG LEU 135 7.617 0.061 -17.168 1014 HD11 LEU 135 1HD1 LEU 135 8.264 2.440 -17.262 1015 HD12 LEU 135 2HD1 LEU 135 9.680 1.363 -17.503 1016 HD13 LEU 135 3HD1 LEU 135 8.935 2.195 -18.910 1017 HD21 LEU 135 3HD2 LEU 135 5.797 0.123 -18.835 1018 HD22 LEU 135 1HD2 LEU 135 6.005 1.722 -18.043 1019 HD23 LEU 135 2HD2 LEU 135 6.632 1.454 -19.705 1020 H GLU 136 H GLU 136 9.256 -1.123 -21.267 1021 HA GLU 136 HA GLU 136 9.087 -3.583 -22.679 1022 HB2 GLU 136 2HB GLU 136 9.550 -1.265 -23.629 1023 HB3 GLU 136 3HB GLU 136 11.164 -1.353 -22.911 1024 HG2 GLU 136 2HG GLU 136 11.714 -3.321 -24.292 1025 HG3 GLU 136 3HG GLU 136 10.073 -3.355 -24.950 1026 H HIS 137 H HIS 137 9.650 -5.098 -20.848 1027 HA HIS 137 HA HIS 137 12.214 -5.025 -19.674 1028 HB2 HIS 137 2HB HIS 137 10.135 -6.244 -18.843 1029 HB3 HIS 137 3HB HIS 137 10.393 -7.438 -20.121 1030 HD2 HIS 137 HD2 HIS 137 11.638 -6.644 -16.551 1031 HE1 HIS 137 HE1 HIS 137 14.128 -9.763 -18.100 1032 H HIS 138 H HIS 138 14.192 -5.917 -20.292 1033 HA HIS 138 HA HIS 138 14.201 -7.218 -22.937 1034 HB2 HIS 138 2HB HIS 138 16.369 -5.622 -21.485 1035 HB3 HIS 138 3HB HIS 138 16.584 -6.447 -23.034 1036 HD2 HIS 138 HD2 HIS 138 15.159 -3.117 -21.632 1037 HE1 HIS 138 HE1 HIS 138 14.350 -3.208 -25.834 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.410 14.014 14.382 2 H2 MET 1 2H MET 1 -2.464 13.087 13.548 3 H3 MET 1 3H MET 1 -0.971 12.521 13.891 4 HA MET 1 HA MET 1 -1.462 14.882 12.258 5 HB2 MET 1 2HB MET 1 0.972 13.079 12.664 6 HB3 MET 1 3HB MET 1 0.876 14.391 11.481 7 HG2 MET 1 2HG MET 1 0.638 14.722 14.509 8 HG3 MET 1 3HG MET 1 2.095 15.031 13.556 9 HE1 MET 1 3HE MET 1 0.714 17.328 10.907 10 HE2 MET 1 1HE MET 1 1.989 18.045 11.949 11 HE3 MET 1 2HE MET 1 2.063 16.306 11.507 12 H ASN 2 H ASN 2 -2.327 14.566 10.247 13 HA ASN 2 HA ASN 2 -2.343 11.823 9.223 14 HB2 ASN 2 2HB ASN 2 -3.862 14.323 8.389 15 HB3 ASN 2 3HB ASN 2 -3.959 12.767 7.556 16 HD21 ASN 2 1HD2 ASN 2 -5.417 14.701 9.749 17 HD22 ASN 2 2HD2 ASN 2 -6.388 13.520 10.562 18 H ILE 3 H ILE 3 -1.035 11.201 7.531 19 HA ILE 3 HA ILE 3 0.363 13.377 6.136 20 HB ILE 3 HB ILE 3 1.217 10.485 6.676 21 HG12 ILE 3 2HG1 ILE 3 2.426 13.125 7.626 22 HG13 ILE 3 3HG1 ILE 3 1.331 12.131 8.596 23 HG21 ILE 3 1HG2 ILE 3 3.344 11.121 5.586 24 HG22 ILE 3 2HG2 ILE 3 1.955 11.228 4.453 25 HG23 ILE 3 3HG2 ILE 3 2.648 12.723 5.169 26 HD11 ILE 3 3HD1 ILE 3 4.048 11.257 7.516 27 HD12 ILE 3 1HD1 ILE 3 3.672 11.725 9.208 28 HD13 ILE 3 2HD1 ILE 3 2.937 10.247 8.501 29 H THR 4 H THR 4 0.172 13.505 3.891 30 HA THR 4 HA THR 4 -1.246 11.265 2.623 31 HB THR 4 HB THR 4 -1.197 14.239 1.889 32 HG1 THR 4 HG1 THR 4 -3.449 12.572 2.647 33 HG21 THR 4 3HG2 THR 4 -2.650 11.886 0.583 34 HG22 THR 4 1HG2 THR 4 -2.851 13.617 0.150 35 HG23 THR 4 2HG2 THR 4 -1.273 12.802 -0.117 36 H VAL 5 H VAL 5 -0.268 10.264 0.849 37 HA VAL 5 HA VAL 5 2.109 11.610 -0.229 38 HB VAL 5 HB VAL 5 3.161 9.360 -0.482 39 HG11 VAL 5 1HG1 VAL 5 3.731 9.029 1.904 40 HG12 VAL 5 2HG1 VAL 5 3.718 10.768 1.456 41 HG13 VAL 5 3HG1 VAL 5 2.343 10.067 2.375 42 HG21 VAL 5 3HG2 VAL 5 1.112 8.000 -0.521 43 HG22 VAL 5 1HG2 VAL 5 2.230 7.436 0.766 44 HG23 VAL 5 2HG2 VAL 5 0.789 8.417 1.196 45 H GLU 6 H GLU 6 2.641 10.971 -2.501 46 HA GLU 6 HA GLU 6 0.430 9.663 -3.913 47 HB2 GLU 6 2HB GLU 6 -0.043 12.089 -3.976 48 HB3 GLU 6 3HB GLU 6 1.591 12.415 -4.567 49 HG2 GLU 6 2HG GLU 6 1.073 11.059 -6.631 50 HG3 GLU 6 3HG GLU 6 -0.584 10.854 -6.046 51 H THR 7 H THR 7 1.127 8.374 -5.633 52 HA THR 7 HA THR 7 3.708 9.077 -6.797 53 HB THR 7 HB THR 7 2.878 6.245 -5.971 54 HG1 THR 7 HG1 THR 7 5.181 6.663 -4.929 55 HG21 THR 7 3HG2 THR 7 5.354 7.252 -7.457 56 HG22 THR 7 1HG2 THR 7 5.079 5.571 -6.889 57 HG23 THR 7 2HG2 THR 7 4.021 6.275 -8.158 58 H THR 8 H THR 8 3.569 9.154 -9.033 59 HA THR 8 HA THR 8 1.221 7.858 -10.217 60 HB THR 8 HB THR 8 3.013 10.119 -11.251 61 HG1 THR 8 HG1 THR 8 1.015 11.347 -10.961 62 HG21 THR 8 3HG2 THR 8 0.503 8.852 -12.457 63 HG22 THR 8 1HG2 THR 8 1.360 10.298 -13.089 64 HG23 THR 8 2HG2 THR 8 2.177 8.699 -13.089 65 H VAL 9 H VAL 9 1.509 6.133 -11.632 66 HA VAL 9 HA VAL 9 4.299 5.573 -12.367 67 HB VAL 9 HB VAL 9 3.746 3.152 -12.103 68 HG11 VAL 9 1HG1 VAL 9 3.740 3.121 -9.627 69 HG12 VAL 9 2HG1 VAL 9 4.856 4.369 -10.277 70 HG13 VAL 9 3HG1 VAL 9 3.259 4.851 -9.611 71 HG21 VAL 9 3HG2 VAL 9 1.315 3.291 -12.433 72 HG22 VAL 9 1HG2 VAL 9 1.703 2.500 -10.868 73 HG23 VAL 9 2HG2 VAL 9 1.146 4.208 -10.898 74 H ALA 10 H ALA 10 4.614 4.431 -14.416 75 HA ALA 10 HA ALA 10 2.469 4.966 -16.300 76 HB1 ALA 10 3HB ALA 10 5.314 3.897 -16.638 77 HB2 ALA 10 1HB ALA 10 4.190 4.323 -17.972 78 HB3 ALA 10 2HB ALA 10 4.783 5.599 -16.855 79 H ALA 11 H ALA 11 1.080 3.236 -15.090 80 HA ALA 11 HA ALA 11 1.353 0.794 -16.644 81 HB1 ALA 11 3HB ALA 11 1.240 0.830 -13.587 82 HB2 ALA 11 1HB ALA 11 1.076 -0.627 -14.624 83 HB3 ALA 11 2HB ALA 11 2.623 0.284 -14.594 84 HA PRO 12 HA PRO 12 -3.044 1.175 -16.737 85 HB2 PRO 12 2HB PRO 12 -3.741 -1.514 -17.001 86 HB3 PRO 12 3HB PRO 12 -3.040 -0.604 -18.346 87 HG2 PRO 12 2HG PRO 12 -1.663 -2.466 -16.380 88 HG3 PRO 12 3HG PRO 12 -1.482 -2.377 -18.137 89 HD2 PRO 12 2HD PRO 12 0.352 -1.220 -16.506 90 HD3 PRO 12 3HD PRO 12 -0.096 -0.450 -18.034 91 H VAL 13 H VAL 13 -4.983 0.930 -15.555 92 HA VAL 13 HA VAL 13 -4.427 1.175 -12.860 93 HB VAL 13 HB VAL 13 -7.049 0.649 -14.345 94 HG11 VAL 13 1HG1 VAL 13 -8.188 1.450 -12.299 95 HG12 VAL 13 2HG1 VAL 13 -7.276 -0.069 -12.005 96 HG13 VAL 13 3HG1 VAL 13 -6.609 1.502 -11.446 97 HG21 VAL 13 3HG2 VAL 13 -5.911 2.747 -14.929 98 HG22 VAL 13 1HG2 VAL 13 -7.402 3.071 -13.983 99 HG23 VAL 13 2HG2 VAL 13 -5.794 3.183 -13.191 100 H GLY 14 H GLY 14 -5.595 -1.692 -14.760 101 HA2 GLY 14 2HA GLY 14 -6.416 -3.248 -12.586 102 HA3 GLY 14 3HA GLY 14 -5.894 -3.831 -14.173 103 H LYS 15 H LYS 15 -3.166 -3.047 -14.261 104 HA LYS 15 HA LYS 15 -2.006 -5.044 -12.624 105 HB2 LYS 15 2HB LYS 15 -0.889 -2.811 -14.374 106 HB3 LYS 15 3HB LYS 15 0.149 -3.944 -13.498 107 HG2 LYS 15 2HG LYS 15 -0.992 -5.850 -14.711 108 HG3 LYS 15 3HG LYS 15 -1.905 -4.660 -15.648 109 HD2 LYS 15 2HD LYS 15 0.267 -3.660 -16.449 110 HD3 LYS 15 3HD LYS 15 1.150 -4.904 -15.555 111 HE2 LYS 15 2HE LYS 15 0.000 -6.681 -16.888 112 HE3 LYS 15 3HE LYS 15 -0.890 -5.439 -17.779 113 HZ1 LYS 15 3HZ LYS 15 2.047 -5.739 -17.753 114 HZ2 LYS 15 1HZ LYS 15 1.053 -6.166 -18.976 115 HZ3 LYS 15 2HZ LYS 15 1.225 -4.592 -18.575 116 H VAL 16 H VAL 16 -2.241 -1.431 -12.380 117 HA VAL 16 HA VAL 16 -0.441 -1.219 -10.238 118 HB VAL 16 HB VAL 16 -2.769 0.530 -11.174 119 HG11 VAL 16 1HG1 VAL 16 -1.808 2.311 -9.750 120 HG12 VAL 16 2HG1 VAL 16 -2.379 0.913 -8.778 121 HG13 VAL 16 3HG1 VAL 16 -0.624 1.135 -9.087 122 HG21 VAL 16 3HG2 VAL 16 -0.897 0.329 -12.754 123 HG22 VAL 16 1HG2 VAL 16 -0.954 1.975 -12.038 124 HG23 VAL 16 2HG2 VAL 16 0.261 0.786 -11.460 125 H TRP 17 H TRP 17 -4.056 -1.647 -10.396 126 HA TRP 17 HA TRP 17 -4.537 -1.406 -7.657 127 HB2 TRP 17 2HB TRP 17 -6.311 -1.394 -9.353 128 HB3 TRP 17 3HB TRP 17 -5.915 -3.047 -9.839 129 HD1 TRP 17 HD1 TRP 17 -6.864 -5.042 -8.352 130 HE1 TRP 17 HE1 TRP 17 -8.579 -5.144 -6.419 131 HE3 TRP 17 HE3 TRP 17 -7.131 -0.032 -7.251 132 HZ2 TRP 17 HZ2 TRP 17 -9.868 -3.361 -4.666 133 HZ3 TRP 17 HZ3 TRP 17 -8.641 0.707 -5.414 134 HH2 TRP 17 HH2 TRP 17 -9.973 -0.911 -4.149 135 H ARG 18 H ARG 18 -3.753 -4.363 -9.664 136 HA ARG 18 HA ARG 18 -4.025 -6.119 -7.473 137 HB2 ARG 18 2HB ARG 18 -2.705 -6.373 -10.178 138 HB3 ARG 18 3HB ARG 18 -2.690 -7.675 -8.982 139 HG2 ARG 18 2HG ARG 18 -5.160 -7.710 -8.961 140 HG3 ARG 18 3HG ARG 18 -5.201 -6.373 -10.117 141 HD2 ARG 18 2HD ARG 18 -4.063 -7.760 -11.778 142 HD3 ARG 18 3HD ARG 18 -3.988 -9.096 -10.622 143 HE ARG 18 HE ARG 18 -6.693 -8.338 -10.890 144 HH11 ARG 18 1HH1 ARG 18 -4.150 -9.720 -12.883 145 HH12 ARG 18 2HH1 ARG 18 -5.252 -10.638 -13.854 146 HH21 ARG 18 1HH2 ARG 18 -8.094 -9.510 -12.150 147 HH22 ARG 18 2HH2 ARG 18 -7.516 -10.518 -13.435 148 H ALA 19 H ALA 19 -1.268 -4.184 -8.757 149 HA ALA 19 HA ALA 19 0.724 -5.702 -7.423 150 HB1 ALA 19 3HB ALA 19 0.708 -2.838 -8.497 151 HB2 ALA 19 1HB ALA 19 2.166 -3.766 -8.006 152 HB3 ALA 19 2HB ALA 19 1.182 -4.314 -9.405 153 H TYR 20 H TYR 20 -1.488 -3.108 -6.393 154 HA TYR 20 HA TYR 20 0.098 -1.943 -4.422 155 HB2 TYR 20 2HB TYR 20 -2.058 -1.049 -5.328 156 HB3 TYR 20 3HB TYR 20 -2.932 -2.347 -4.504 157 HD1 TYR 20 HD1 TYR 20 -0.510 0.444 -3.763 158 HD2 TYR 20 HD2 TYR 20 -3.779 -1.959 -2.362 159 HE1 TYR 20 HE1 TYR 20 -0.656 1.840 -1.724 160 HE2 TYR 20 HE2 TYR 20 -3.932 -0.568 -0.322 161 HH TYR 20 HH TYR 20 -2.090 2.420 0.015 162 H THR 21 H THR 21 -1.731 -5.025 -4.450 163 HA THR 21 HA THR 21 -0.747 -5.460 -1.722 164 HB THR 21 HB THR 21 -2.854 -6.728 -1.237 165 HG1 THR 21 HG1 THR 21 -3.477 -7.107 -3.470 166 HG21 THR 21 3HG2 THR 21 -3.269 -3.811 -2.055 167 HG22 THR 21 1HG2 THR 21 -4.310 -4.747 -0.931 168 HG23 THR 21 2HG2 THR 21 -2.607 -4.389 -0.489 169 H THR 22 H THR 22 0.814 -6.356 -3.804 170 HA THR 22 HA THR 22 0.223 -9.232 -3.648 171 HB THR 22 HB THR 22 1.960 -7.693 -5.648 172 HG1 THR 22 HG1 THR 22 -0.326 -7.568 -6.066 173 HG21 THR 22 3HG2 THR 22 1.367 -10.684 -5.411 174 HG22 THR 22 1HG2 THR 22 2.268 -9.892 -6.748 175 HG23 THR 22 2HG2 THR 22 2.942 -9.886 -5.084 176 HA PRO 23 HA PRO 23 3.599 -9.218 -0.749 177 HB2 PRO 23 2HB PRO 23 3.909 -12.026 -0.727 178 HB3 PRO 23 3HB PRO 23 2.633 -11.211 0.188 179 HG2 PRO 23 2HG PRO 23 2.486 -12.528 -2.538 180 HG3 PRO 23 3HG PRO 23 1.342 -12.623 -1.192 181 HD2 PRO 23 2HD PRO 23 0.833 -10.993 -3.294 182 HD3 PRO 23 3HD PRO 23 0.410 -10.477 -1.657 183 H GLU 24 H GLU 24 3.801 -10.999 -3.875 184 HA GLU 24 HA GLU 24 6.605 -11.299 -3.791 185 HB2 GLU 24 2HB GLU 24 4.577 -11.097 -6.062 186 HB3 GLU 24 3HB GLU 24 6.297 -11.406 -6.332 187 HG2 GLU 24 2HG GLU 24 6.159 -13.488 -4.997 188 HG3 GLU 24 3HG GLU 24 4.456 -13.169 -4.640 189 H ASP 25 H ASP 25 4.456 -8.545 -4.655 190 HA ASP 25 HA ASP 25 6.647 -6.981 -5.671 191 HB2 ASP 25 2HB ASP 25 3.790 -6.318 -4.814 192 HB3 ASP 25 3HB ASP 25 4.920 -5.127 -5.473 193 H ILE 26 H ILE 26 4.865 -7.327 -2.523 194 HA ILE 26 HA ILE 26 5.850 -5.029 -1.340 195 HB ILE 26 HB ILE 26 4.989 -7.729 -0.196 196 HG12 ILE 26 2HG1 ILE 26 3.618 -5.004 -0.136 197 HG13 ILE 26 3HG1 ILE 26 3.338 -6.206 -1.403 198 HG21 ILE 26 1HG2 ILE 26 4.877 -6.616 2.010 199 HG22 ILE 26 2HG2 ILE 26 6.558 -6.684 1.380 200 HG23 ILE 26 3HG2 ILE 26 5.631 -5.147 1.303 201 HD11 ILE 26 3HD1 ILE 26 2.824 -6.607 1.578 202 HD12 ILE 26 1HD1 ILE 26 1.587 -6.305 0.311 203 HD13 ILE 26 2HD1 ILE 26 2.540 -7.827 0.291 204 H LYS 27 H LYS 27 7.265 -8.376 -1.516 205 HA LYS 27 HA LYS 27 9.371 -7.898 0.279 206 HB2 LYS 27 2HB LYS 27 10.306 -9.921 -0.595 207 HB3 LYS 27 3HB LYS 27 8.550 -10.128 -0.552 208 HG2 LYS 27 2HG LYS 27 8.427 -9.655 -2.997 209 HG3 LYS 27 3HG LYS 27 10.180 -9.427 -3.045 210 HD2 LYS 27 2HD LYS 27 10.468 -11.790 -2.177 211 HD3 LYS 27 3HD LYS 27 8.714 -12.002 -2.264 212 HE2 LYS 27 2HE LYS 27 8.759 -11.540 -4.709 213 HE3 LYS 27 3HE LYS 27 10.505 -11.265 -4.639 214 HZ1 LYS 27 3HZ LYS 27 9.155 -13.807 -3.984 215 HZ2 LYS 27 1HZ LYS 27 9.988 -13.491 -5.353 216 HZ3 LYS 27 2HZ LYS 27 10.767 -13.553 -3.920 217 H GLN 28 H GLN 28 8.840 -6.843 -3.068 218 HA GLN 28 HA GLN 28 11.643 -6.264 -3.482 219 HB2 GLN 28 2HB GLN 28 9.078 -5.599 -5.007 220 HB3 GLN 28 3HB GLN 28 10.683 -5.071 -5.527 221 HG2 GLN 28 2HG GLN 28 9.817 -7.978 -5.162 222 HG3 GLN 28 3HG GLN 28 9.894 -7.120 -6.706 223 HE21 GLN 28 1HE2 GLN 28 11.407 -9.475 -5.364 224 HE22 GLN 28 2HE2 GLN 28 13.072 -9.126 -5.688 225 H TRP 29 H TRP 29 8.733 -4.630 -2.193 226 HA TRP 29 HA TRP 29 9.930 -2.010 -2.431 227 HB2 TRP 29 2HB TRP 29 7.486 -2.915 -0.834 228 HB3 TRP 29 3HB TRP 29 7.900 -1.261 -1.301 229 HD1 TRP 29 HD1 TRP 29 8.748 -2.849 -4.366 230 HE1 TRP 29 HE1 TRP 29 6.771 -2.987 -6.029 231 HE3 TRP 29 HE3 TRP 29 4.882 -1.991 -1.091 232 HZ2 TRP 29 HZ2 TRP 29 3.968 -2.767 -5.973 233 HZ3 TRP 29 HZ3 TRP 29 2.554 -1.969 -1.977 234 HH2 TRP 29 HH2 TRP 29 2.103 -2.354 -4.351 235 H ASN 30 H ASN 30 10.044 -4.699 -0.161 236 HA ASN 30 HA ASN 30 10.559 -3.128 2.154 237 HB2 ASN 30 2HB ASN 30 11.052 -6.034 1.430 238 HB3 ASN 30 3HB ASN 30 11.507 -5.345 2.994 239 HD21 ASN 30 1HD2 ASN 30 9.663 -7.452 2.500 240 HD22 ASN 30 2HD2 ASN 30 8.152 -6.948 3.179 241 H ALA 31 H ALA 31 12.622 -2.805 3.248 242 HA ALA 31 HA ALA 31 14.685 -2.112 1.410 243 HB1 ALA 31 3HB ALA 31 14.611 -2.232 4.465 244 HB2 ALA 31 1HB ALA 31 15.888 -1.445 3.478 245 HB3 ALA 31 2HB ALA 31 14.208 -0.809 3.446 246 H ALA 32 H ALA 32 14.288 -4.749 3.897 247 HA ALA 32 HA ALA 32 16.816 -5.889 3.526 248 HB1 ALA 32 3HB ALA 32 14.128 -7.168 4.227 249 HB2 ALA 32 1HB ALA 32 15.741 -7.925 4.454 250 HB3 ALA 32 2HB ALA 32 15.301 -6.453 5.384 251 H SER 33 H SER 33 16.639 -8.507 2.714 252 HA SER 33 HA SER 33 16.714 -7.871 -0.132 253 HB2 SER 33 2HB SER 33 18.746 -8.718 0.862 254 HB3 SER 33 3HB SER 33 17.892 -10.073 1.611 255 HG SER 33 HG SER 33 19.007 -10.689 -0.322 256 H ASP 34 H ASP 34 15.769 -9.201 -1.778 257 HA ASP 34 HA ASP 34 13.378 -10.575 -0.944 258 HB2 ASP 34 2HB ASP 34 13.001 -10.841 -3.343 259 HB3 ASP 34 3HB ASP 34 13.437 -9.168 -2.972 260 H ASP 35 H ASP 35 16.470 -11.543 -0.561 261 HA ASP 35 HA ASP 35 15.825 -14.306 -1.384 262 HB2 ASP 35 2HB ASP 35 18.546 -12.959 -1.035 263 HB3 ASP 35 3HB ASP 35 18.288 -14.667 -1.413 264 H TRP 36 H TRP 36 16.619 -12.061 1.239 265 HA TRP 36 HA TRP 36 16.962 -14.380 3.034 266 HB2 TRP 36 2HB TRP 36 18.054 -11.528 3.207 267 HB3 TRP 36 3HB TRP 36 18.163 -12.715 4.513 268 HD1 TRP 36 HD1 TRP 36 19.803 -11.705 1.231 269 HE1 TRP 36 HE1 TRP 36 21.860 -13.209 0.795 270 HE3 TRP 36 HE3 TRP 36 19.028 -15.211 4.908 271 HZ2 TRP 36 HZ2 TRP 36 23.007 -15.550 1.855 272 HZ3 TRP 36 HZ3 TRP 36 20.665 -17.071 5.143 273 HH2 TRP 36 HH2 TRP 36 22.605 -17.242 3.658 274 H HIS 37 H HIS 37 14.656 -12.197 1.994 275 HA HIS 37 HA HIS 37 13.411 -12.255 4.668 276 HB2 HIS 37 2HB HIS 37 14.077 -9.938 4.016 277 HB3 HIS 37 3HB HIS 37 13.161 -10.096 2.511 278 HD2 HIS 37 HD2 HIS 37 10.505 -9.390 2.719 279 HE1 HIS 37 HE1 HIS 37 10.303 -9.255 6.992 280 H THR 38 H THR 38 11.427 -13.269 4.750 281 HA THR 38 HA THR 38 10.287 -14.024 2.157 282 HB THR 38 HB THR 38 9.919 -15.214 4.955 283 HG1 THR 38 HG1 THR 38 11.033 -17.031 3.934 284 HG21 THR 38 3HG2 THR 38 8.795 -16.095 2.249 285 HG22 THR 38 1HG2 THR 38 8.640 -16.995 3.796 286 HG23 THR 38 2HG2 THR 38 7.855 -15.391 3.608 287 H THR 39 H THR 39 8.358 -13.102 1.517 288 HA THR 39 HA THR 39 6.706 -11.948 3.656 289 HB THR 39 HB THR 39 7.179 -10.876 0.823 290 HG1 THR 39 HG1 THR 39 8.053 -9.050 2.044 291 HG21 THR 39 3HG2 THR 39 5.401 -9.834 3.082 292 HG22 THR 39 1HG2 THR 39 5.714 -9.004 1.520 293 HG23 THR 39 2HG2 THR 39 4.839 -10.572 1.545 294 H ALA 40 H ALA 40 4.568 -12.651 3.687 295 HA ALA 40 HA ALA 40 3.427 -13.521 1.129 296 HB1 ALA 40 3HB ALA 40 3.235 -15.030 3.784 297 HB2 ALA 40 1HB ALA 40 2.313 -15.415 2.292 298 HB3 ALA 40 2HB ALA 40 4.101 -15.577 2.309 299 H ALA 41 H ALA 41 1.329 -12.794 0.790 300 HA ALA 41 HA ALA 41 0.016 -11.520 3.096 301 HB1 ALA 41 3HB ALA 41 0.443 -10.321 0.315 302 HB2 ALA 41 1HB ALA 41 -0.568 -9.611 1.619 303 HB3 ALA 41 2HB ALA 41 1.207 -9.765 1.843 304 H THR 42 H THR 42 -2.191 -11.889 3.217 305 HA THR 42 HA THR 42 -3.443 -12.888 0.752 306 HB THR 42 HB THR 42 -4.067 -13.645 3.654 307 HG1 THR 42 HG1 THR 42 -3.408 -15.774 2.867 308 HG21 THR 42 3HG2 THR 42 -5.364 -14.537 1.031 309 HG22 THR 42 1HG2 THR 42 -5.725 -15.198 2.662 310 HG23 THR 42 2HG2 THR 42 -6.112 -13.486 2.280 311 H VAL 43 H VAL 43 -5.234 -11.729 0.045 312 HA VAL 43 HA VAL 43 -6.366 -9.815 1.960 313 HB VAL 43 HB VAL 43 -5.594 -9.265 -0.951 314 HG11 VAL 43 1HG1 VAL 43 -6.366 -6.958 -0.489 315 HG12 VAL 43 2HG1 VAL 43 -7.697 -8.153 -0.329 316 HG13 VAL 43 3HG1 VAL 43 -6.919 -7.475 1.140 317 HG21 VAL 43 3HG2 VAL 43 -3.660 -9.271 0.565 318 HG22 VAL 43 1HG2 VAL 43 -4.043 -7.601 0.025 319 HG23 VAL 43 2HG2 VAL 43 -4.509 -8.142 1.673 320 H ASP 44 H ASP 44 -8.587 -10.072 2.099 321 HA ASP 44 HA ASP 44 -9.993 -11.202 -0.200 322 HB2 ASP 44 2HB ASP 44 -10.486 -11.990 2.121 323 HB3 ASP 44 3HB ASP 44 -10.959 -10.346 2.572 324 H LEU 45 H LEU 45 -10.529 -9.781 -1.823 325 HA LEU 45 HA LEU 45 -10.566 -6.952 -1.214 326 HB2 LEU 45 2HB LEU 45 -10.924 -8.558 -3.790 327 HB3 LEU 45 3HB LEU 45 -10.904 -6.792 -3.710 328 HG LEU 45 HG LEU 45 -8.579 -8.607 -2.880 329 HD11 LEU 45 1HD1 LEU 45 -7.505 -7.775 -4.940 330 HD12 LEU 45 2HD1 LEU 45 -9.013 -8.680 -5.303 331 HD13 LEU 45 3HD1 LEU 45 -9.006 -6.885 -5.366 332 HD21 LEU 45 3HD2 LEU 45 -8.673 -6.472 -1.644 333 HD22 LEU 45 1HD2 LEU 45 -7.310 -6.484 -2.814 334 HD23 LEU 45 2HD2 LEU 45 -8.811 -5.575 -3.193 335 H ARG 46 H ARG 46 -12.480 -6.707 0.117 336 HA ARG 46 HA ARG 46 -14.770 -6.164 -1.461 337 HB2 ARG 46 2HB ARG 46 -16.364 -7.647 -0.487 338 HB3 ARG 46 3HB ARG 46 -15.093 -8.574 -1.296 339 HG2 ARG 46 2HG ARG 46 -14.023 -9.019 0.906 340 HG3 ARG 46 3HG ARG 46 -15.303 -8.102 1.710 341 HD2 ARG 46 2HD ARG 46 -16.970 -9.684 1.004 342 HD3 ARG 46 3HD ARG 46 -15.797 -10.544 -0.002 343 HE ARG 46 HE ARG 46 -14.932 -11.579 1.894 344 HH11 ARG 46 1HH1 ARG 46 -17.182 -9.068 2.882 345 HH12 ARG 46 2HH1 ARG 46 -17.291 -9.645 4.511 346 HH21 ARG 46 1HH2 ARG 46 -15.071 -12.301 3.987 347 HH22 ARG 46 2HH2 ARG 46 -16.077 -11.502 5.148 348 H GLU 47 H GLU 47 -16.478 -5.042 -0.170 349 HA GLU 47 HA GLU 47 -15.527 -3.520 1.976 350 HB2 GLU 47 2HB GLU 47 -17.448 -2.894 0.564 351 HB3 GLU 47 3HB GLU 47 -18.363 -4.292 1.141 352 HG2 GLU 47 2HG GLU 47 -18.415 -3.366 3.427 353 HG3 GLU 47 3HG GLU 47 -17.393 -2.010 2.932 354 H GLY 48 H GLY 48 -15.124 -4.055 4.095 355 HA2 GLY 48 2HA GLY 48 -15.543 -5.047 6.116 356 HA3 GLY 48 3HA GLY 48 -16.770 -6.082 5.373 357 H GLY 49 H GLY 49 -14.172 -6.332 3.253 358 HA2 GLY 49 2HA GLY 49 -13.695 -9.004 4.117 359 HA3 GLY 49 3HA GLY 49 -12.936 -8.148 2.768 360 H ALA 50 H ALA 50 -11.638 -9.969 4.746 361 HA ALA 50 HA ALA 50 -10.082 -8.075 6.368 362 HB1 ALA 50 3HB ALA 50 -10.368 -11.118 6.466 363 HB2 ALA 50 1HB ALA 50 -9.380 -10.121 7.587 364 HB3 ALA 50 2HB ALA 50 -11.166 -9.938 7.559 365 H PHE 51 H PHE 51 -7.747 -8.124 6.362 366 HA PHE 51 HA PHE 51 -6.517 -9.905 4.391 367 HB2 PHE 51 2HB PHE 51 -5.159 -8.089 3.482 368 HB3 PHE 51 3HB PHE 51 -6.876 -7.749 3.229 369 HD1 PHE 51 HD1 PHE 51 -7.999 -5.942 4.444 370 HD2 PHE 51 HD2 PHE 51 -3.824 -6.761 5.043 371 HE1 PHE 51 HE1 PHE 51 -7.726 -3.746 5.550 372 HE2 PHE 51 HE2 PHE 51 -3.554 -4.567 6.154 373 HZ PHE 51 HZ PHE 51 -5.501 -3.052 6.405 374 H SER 52 H SER 52 -4.177 -10.229 4.790 375 HA SER 52 HA SER 52 -3.061 -9.092 7.199 376 HB2 SER 52 2HB SER 52 -4.423 -10.898 8.146 377 HB3 SER 52 3HB SER 52 -3.751 -12.057 6.992 378 HG SER 52 HG SER 52 -1.997 -10.558 8.676 379 H SER 53 H SER 53 -0.797 -9.131 7.150 380 HA SER 53 HA SER 53 0.399 -10.721 4.967 381 HB2 SER 53 2HB SER 53 0.253 -8.365 4.289 382 HB3 SER 53 3HB SER 53 1.002 -7.850 5.806 383 HG SER 53 HG SER 53 2.517 -7.951 4.059 384 H ARG 54 H ARG 54 2.007 -12.073 5.653 385 HA ARG 54 HA ARG 54 3.110 -11.513 8.325 386 HB2 ARG 54 2HB ARG 54 1.780 -13.552 8.228 387 HB3 ARG 54 3HB ARG 54 2.767 -14.161 6.893 388 HG2 ARG 54 2HG ARG 54 4.760 -14.181 8.362 389 HG3 ARG 54 3HG ARG 54 3.793 -13.541 9.697 390 HD2 ARG 54 2HD ARG 54 2.350 -15.559 9.558 391 HD3 ARG 54 3HD ARG 54 3.424 -16.202 8.309 392 HE ARG 54 HE ARG 54 3.905 -16.120 11.168 393 HH11 ARG 54 1HH1 ARG 54 5.417 -16.402 8.008 394 HH12 ARG 54 2HH1 ARG 54 6.850 -17.148 8.634 395 HH21 ARG 54 1HH2 ARG 54 5.741 -17.087 11.953 396 HH22 ARG 54 2HH2 ARG 54 7.037 -17.543 10.899 397 H MET 55 H MET 55 5.231 -10.920 8.426 398 HA MET 55 HA MET 55 6.926 -11.702 6.135 399 HB2 MET 55 2HB MET 55 7.013 -9.239 7.941 400 HB3 MET 55 3HB MET 55 8.268 -9.663 6.769 401 HG2 MET 55 2HG MET 55 6.436 -9.599 4.968 402 HG3 MET 55 3HG MET 55 5.374 -8.895 6.194 403 HE1 MET 55 3HE MET 55 7.472 -6.615 7.788 404 HE2 MET 55 1HE MET 55 6.540 -5.424 6.818 405 HE3 MET 55 2HE MET 55 5.733 -6.901 7.444 406 H GLU 56 H GLU 56 8.929 -12.676 6.569 407 HA GLU 56 HA GLU 56 9.688 -12.931 9.388 408 HB2 GLU 56 2HB GLU 56 8.240 -14.883 8.818 409 HB3 GLU 56 3HB GLU 56 9.296 -15.265 7.451 410 HG2 GLU 56 2HG GLU 56 11.194 -15.653 9.020 411 HG3 GLU 56 3HG GLU 56 10.147 -15.260 10.390 412 H ALA 57 H ALA 57 11.944 -13.178 9.712 413 HA ALA 57 HA ALA 57 13.608 -12.593 7.438 414 HB1 ALA 57 3HB ALA 57 14.244 -13.268 10.351 415 HB2 ALA 57 1HB ALA 57 15.421 -12.675 9.131 416 HB3 ALA 57 2HB ALA 57 14.062 -11.623 9.653 417 H LYS 58 H LYS 58 14.915 -13.991 6.264 418 HA LYS 58 HA LYS 58 14.514 -16.753 6.360 419 HB2 LYS 58 2HB LYS 58 15.403 -15.477 4.419 420 HB3 LYS 58 3HB LYS 58 16.884 -15.126 5.320 421 HG2 LYS 58 2HG LYS 58 17.403 -16.941 3.852 422 HG3 LYS 58 3HG LYS 58 17.291 -17.639 5.473 423 HD2 LYS 58 2HD LYS 58 15.001 -18.437 5.024 424 HD3 LYS 58 3HD LYS 58 14.987 -17.626 3.453 425 HE2 LYS 58 2HE LYS 58 16.914 -19.056 2.712 426 HE3 LYS 58 3HE LYS 58 16.893 -19.881 4.276 427 HZ1 LYS 58 3HZ LYS 58 14.665 -19.846 2.342 428 HZ2 LYS 58 1HZ LYS 58 15.673 -21.101 2.618 429 HZ3 LYS 58 2HZ LYS 58 14.646 -20.607 3.787 430 H ASP 59 H ASP 59 16.597 -14.624 8.310 431 HA ASP 59 HA ASP 59 18.320 -16.798 9.125 432 HB2 ASP 59 2HB ASP 59 18.000 -13.880 9.951 433 HB3 ASP 59 3HB ASP 59 19.122 -14.982 10.758 434 H GLY 60 H GLY 60 15.111 -15.835 9.913 435 HA2 GLY 60 2HA GLY 60 13.723 -16.810 11.388 436 HA3 GLY 60 3HA GLY 60 15.047 -17.864 11.902 437 H SER 61 H SER 61 15.525 -14.329 12.021 438 HA SER 61 HA SER 61 15.925 -14.605 14.889 439 HB2 SER 61 2HB SER 61 16.408 -12.328 12.915 440 HB3 SER 61 3HB SER 61 16.824 -12.280 14.633 441 HG SER 61 HG SER 61 18.617 -12.892 13.304 442 H MET 62 H MET 62 13.709 -12.920 12.568 443 HA MET 62 HA MET 62 11.905 -12.271 14.709 444 HB2 MET 62 2HB MET 62 12.049 -9.847 14.456 445 HB3 MET 62 3HB MET 62 13.597 -10.499 15.009 446 HG2 MET 62 2HG MET 62 14.461 -10.378 12.656 447 HG3 MET 62 3HG MET 62 12.926 -9.663 12.148 448 HE1 MET 62 3HE MET 62 12.321 -7.370 14.673 449 HE2 MET 62 1HE MET 62 12.866 -6.156 13.467 450 HE3 MET 62 2HE MET 62 11.952 -7.606 12.932 451 H GLY 63 H GLY 63 9.924 -11.079 13.819 452 HA2 GLY 63 2HA GLY 63 9.813 -10.792 10.942 453 HA3 GLY 63 3HA GLY 63 8.827 -12.113 11.582 454 H PHE 64 H PHE 64 7.302 -10.305 10.361 455 HA PHE 64 HA PHE 64 6.254 -8.616 12.539 456 HB2 PHE 64 2HB PHE 64 6.484 -7.906 9.574 457 HB3 PHE 64 3HB PHE 64 5.699 -6.920 10.815 458 HD1 PHE 64 HD1 PHE 64 7.039 -5.787 12.559 459 HD2 PHE 64 HD2 PHE 64 8.896 -8.015 9.390 460 HE1 PHE 64 HE1 PHE 64 9.199 -4.686 13.052 461 HE2 PHE 64 HE2 PHE 64 11.059 -6.915 9.885 462 HZ PHE 64 HZ PHE 64 11.216 -5.248 11.715 463 H ASP 65 H ASP 65 3.935 -8.323 12.544 464 HA ASP 65 HA ASP 65 2.498 -10.019 10.609 465 HB2 ASP 65 2HB ASP 65 2.670 -11.163 12.813 466 HB3 ASP 65 3HB ASP 65 1.974 -9.746 13.608 467 H PHE 66 H PHE 66 1.325 -8.629 9.340 468 HA PHE 66 HA PHE 66 0.036 -6.359 10.719 469 HB2 PHE 66 2HB PHE 66 0.865 -6.810 7.816 470 HB3 PHE 66 3HB PHE 66 -0.209 -5.499 8.320 471 HD1 PHE 66 HD1 PHE 66 3.223 -6.899 8.729 472 HD2 PHE 66 HD2 PHE 66 0.646 -3.510 9.314 473 HE1 PHE 66 HE1 PHE 66 5.190 -5.493 9.269 474 HE2 PHE 66 HE2 PHE 66 2.613 -2.108 9.849 475 HZ PHE 66 HZ PHE 66 4.889 -3.096 9.829 476 H ALA 67 H ALA 67 -2.204 -6.207 10.729 477 HA ALA 67 HA ALA 67 -3.701 -7.896 8.882 478 HB1 ALA 67 3HB ALA 67 -3.993 -8.009 11.923 479 HB2 ALA 67 1HB ALA 67 -5.095 -8.782 10.735 480 HB3 ALA 67 2HB ALA 67 -3.388 -9.325 10.862 481 H GLY 68 H GLY 68 -5.843 -7.108 8.455 482 HA2 GLY 68 2HA GLY 68 -6.940 -5.001 10.058 483 HA3 GLY 68 3HA GLY 68 -6.245 -4.400 8.547 484 H THR 69 H THR 69 -8.942 -4.002 8.832 485 HA THR 69 HA THR 69 -9.952 -5.938 6.875 486 HB THR 69 HB THR 69 -12.225 -5.673 7.864 487 HG1 THR 69 HG1 THR 69 -12.348 -4.676 10.002 488 HG21 THR 69 3HG2 THR 69 -10.100 -6.589 9.863 489 HG22 THR 69 1HG2 THR 69 -11.843 -7.021 9.906 490 HG23 THR 69 2HG2 THR 69 -10.813 -7.579 8.545 491 H TYR 70 H TYR 70 -11.385 -5.026 5.241 492 HA TYR 70 HA TYR 70 -11.009 -2.210 4.786 493 HB2 TYR 70 2HB TYR 70 -12.609 -4.393 3.366 494 HB3 TYR 70 3HB TYR 70 -12.521 -2.718 2.804 495 HD1 TYR 70 HD1 TYR 70 -9.415 -2.832 4.031 496 HD2 TYR 70 HD2 TYR 70 -11.693 -4.872 1.017 497 HE1 TYR 70 HE1 TYR 70 -7.327 -3.350 2.808 498 HE2 TYR 70 HE2 TYR 70 -9.608 -5.394 -0.210 499 HH TYR 70 HH TYR 70 -6.435 -4.778 1.201 500 H THR 71 H THR 71 -12.593 -0.550 4.856 501 HA THR 71 HA THR 71 -15.003 -1.288 6.345 502 HB THR 71 HB THR 71 -15.193 1.130 6.840 503 HG1 THR 71 HG1 THR 71 -13.523 2.566 6.121 504 HG21 THR 71 3HG2 THR 71 -12.388 0.025 7.350 505 HG22 THR 71 1HG2 THR 71 -13.168 1.371 8.247 506 HG23 THR 71 2HG2 THR 71 -13.848 -0.289 8.347 507 H LYS 72 H LYS 72 -13.798 -0.031 3.228 508 HA LYS 72 HA LYS 72 -16.366 -0.371 2.046 509 HB2 LYS 72 2HB LYS 72 -16.660 1.843 3.205 510 HB3 LYS 72 3HB LYS 72 -15.286 2.477 2.291 511 HG2 LYS 72 2HG LYS 72 -16.502 2.109 0.161 512 HG3 LYS 72 3HG LYS 72 -17.865 1.405 1.042 513 HD2 LYS 72 2HD LYS 72 -18.098 3.588 2.319 514 HD3 LYS 72 3HD LYS 72 -16.825 4.275 1.301 515 HE2 LYS 72 2HE LYS 72 -18.199 3.801 -0.736 516 HE3 LYS 72 3HE LYS 72 -19.472 3.115 0.282 517 HZ1 LYS 72 3HZ LYS 72 -18.516 5.903 0.402 518 HZ2 LYS 72 1HZ LYS 72 -19.917 5.400 -0.269 519 HZ3 LYS 72 2HZ LYS 72 -19.691 5.270 1.342 520 H VAL 73 H VAL 73 -16.142 -0.681 -0.191 521 HA VAL 73 HA VAL 73 -13.723 0.419 -1.407 522 HB VAL 73 HB VAL 73 -13.216 -1.947 -0.927 523 HG11 VAL 73 1HG1 VAL 73 -14.552 -3.757 -1.956 524 HG12 VAL 73 2HG1 VAL 73 -15.518 -2.797 -0.784 525 HG13 VAL 73 3HG1 VAL 73 -15.734 -2.542 -2.549 526 HG21 VAL 73 3HG2 VAL 73 -12.348 -0.959 -3.003 527 HG22 VAL 73 1HG2 VAL 73 -12.728 -2.700 -3.233 528 HG23 VAL 73 2HG2 VAL 73 -13.842 -1.445 -3.873 529 H VAL 74 H VAL 74 -14.083 1.279 -3.481 530 HA VAL 74 HA VAL 74 -16.837 0.949 -4.459 531 HB VAL 74 HB VAL 74 -15.081 3.456 -4.468 532 HG11 VAL 74 1HG1 VAL 74 -17.063 4.581 -5.436 533 HG12 VAL 74 2HG1 VAL 74 -16.436 3.286 -6.511 534 HG13 VAL 74 3HG1 VAL 74 -17.910 3.000 -5.526 535 HG21 VAL 74 3HG2 VAL 74 -16.034 2.958 -2.259 536 HG22 VAL 74 1HG2 VAL 74 -16.831 4.392 -2.990 537 HG23 VAL 74 2HG2 VAL 74 -17.669 2.804 -2.985 538 H GLU 75 H GLU 75 -16.794 -0.151 -6.406 539 HA GLU 75 HA GLU 75 -16.210 -0.717 -8.481 540 HB2 GLU 75 2HB GLU 75 -15.407 2.232 -8.549 541 HB3 GLU 75 3HB GLU 75 -15.627 1.208 -9.974 542 HG2 GLU 75 2HG GLU 75 -18.026 0.870 -9.353 543 HG3 GLU 75 3HG GLU 75 -17.802 1.908 -7.938 544 H ASN 76 H ASN 76 -14.082 -1.103 -6.393 545 HA ASN 76 HA ASN 76 -11.929 -1.549 -6.201 546 HB2 ASN 76 2HB ASN 76 -12.071 -1.860 -9.224 547 HB3 ASN 76 3HB ASN 76 -10.753 -2.431 -8.192 548 HD21 ASN 76 1HD2 ASN 76 -13.380 -3.388 -9.819 549 HD22 ASN 76 2HD2 ASN 76 -13.767 -4.828 -8.937 550 H LYS 77 H LYS 77 -12.311 1.174 -6.015 551 HA LYS 77 HA LYS 77 -10.108 2.283 -7.620 552 HB2 LYS 77 2HB LYS 77 -12.937 3.365 -7.276 553 HB3 LYS 77 3HB LYS 77 -11.577 4.407 -7.715 554 HG2 LYS 77 2HG LYS 77 -11.186 3.101 -9.769 555 HG3 LYS 77 3HG LYS 77 -12.449 1.950 -9.315 556 HD2 LYS 77 2HD LYS 77 -14.134 3.827 -9.344 557 HD3 LYS 77 3HD LYS 77 -12.861 4.937 -9.867 558 HE2 LYS 77 2HE LYS 77 -12.494 3.605 -11.922 559 HE3 LYS 77 3HE LYS 77 -13.681 2.407 -11.388 560 HZ1 LYS 77 3HZ LYS 77 -14.282 5.243 -11.942 561 HZ2 LYS 77 1HZ LYS 77 -14.612 3.993 -12.939 562 HZ3 LYS 77 2HZ LYS 77 -15.370 4.109 -11.498 563 H ARG 78 H ARG 78 -11.890 1.996 -4.583 564 HA ARG 78 HA ARG 78 -9.936 3.706 -3.298 565 HB2 ARG 78 2HB ARG 78 -11.618 5.322 -3.974 566 HB3 ARG 78 3HB ARG 78 -12.894 4.357 -3.220 567 HG2 ARG 78 2HG ARG 78 -11.847 4.692 -0.999 568 HG3 ARG 78 3HG ARG 78 -10.551 5.635 -1.745 569 HD2 ARG 78 2HD ARG 78 -13.478 6.369 -1.909 570 HD3 ARG 78 3HD ARG 78 -12.390 6.931 -0.632 571 HE ARG 78 HE ARG 78 -11.040 7.764 -2.775 572 HH11 ARG 78 1HH1 ARG 78 -14.503 7.901 -2.199 573 HH12 ARG 78 2HH1 ARG 78 -14.712 9.360 -3.109 574 HH21 ARG 78 1HH2 ARG 78 -11.325 9.625 -3.949 575 HH22 ARG 78 2HH2 ARG 78 -12.890 10.349 -4.115 576 H ILE 79 H ILE 79 -9.453 2.971 -1.238 577 HA ILE 79 HA ILE 79 -11.399 1.185 0.010 578 HB ILE 79 HB ILE 79 -8.463 0.541 -0.550 579 HG12 ILE 79 2HG1 ILE 79 -11.098 -0.855 -1.219 580 HG13 ILE 79 3HG1 ILE 79 -10.022 -0.032 -2.357 581 HG21 ILE 79 1HG2 ILE 79 -8.795 -1.477 0.837 582 HG22 ILE 79 2HG2 ILE 79 -8.969 0.031 1.797 583 HG23 ILE 79 3HG2 ILE 79 -10.428 -0.888 1.296 584 HD11 ILE 79 3HD1 ILE 79 -9.333 -2.528 -0.740 585 HD12 ILE 79 1HD1 ILE 79 -9.750 -2.467 -2.486 586 HD13 ILE 79 2HD1 ILE 79 -8.242 -1.692 -1.896 587 H GLU 80 H GLU 80 -11.484 1.416 2.279 588 HA GLU 80 HA GLU 80 -9.261 2.934 3.490 589 HB2 GLU 80 2HB GLU 80 -11.409 4.190 3.461 590 HB3 GLU 80 3HB GLU 80 -12.213 2.843 4.278 591 HG2 GLU 80 2HG GLU 80 -10.676 3.154 6.243 592 HG3 GLU 80 3HG GLU 80 -9.950 4.546 5.429 593 H TYR 81 H TYR 81 -8.234 2.008 5.266 594 HA TYR 81 HA TYR 81 -9.467 -0.302 6.534 595 HB2 TYR 81 2HB TYR 81 -7.459 -1.706 6.123 596 HB3 TYR 81 3HB TYR 81 -8.346 -1.341 4.637 597 HD1 TYR 81 HD1 TYR 81 -7.408 0.229 2.965 598 HD2 TYR 81 HD2 TYR 81 -5.212 -0.840 6.494 599 HE1 TYR 81 HE1 TYR 81 -5.334 1.107 1.935 600 HE2 TYR 81 HE2 TYR 81 -3.136 0.041 5.475 601 HH TYR 81 HH TYR 81 -3.058 1.106 2.080 602 H ALA 82 H ALA 82 -7.968 -1.110 8.394 603 HA ALA 82 HA ALA 82 -6.632 1.253 9.543 604 HB1 ALA 82 3HB ALA 82 -8.710 -0.560 10.865 605 HB2 ALA 82 1HB ALA 82 -7.774 0.734 11.687 606 HB3 ALA 82 2HB ALA 82 -8.944 1.156 10.390 607 H PHE 83 H PHE 83 -4.941 0.800 11.068 608 HA PHE 83 HA PHE 83 -4.435 -2.048 11.577 609 HB2 PHE 83 2HB PHE 83 -2.976 -1.378 9.701 610 HB3 PHE 83 3HB PHE 83 -2.397 0.020 10.618 611 HD1 PHE 83 HD1 PHE 83 -2.691 -3.720 10.979 612 HD2 PHE 83 HD2 PHE 83 -0.391 -0.178 11.764 613 HE1 PHE 83 HE1 PHE 83 -0.884 -5.107 11.953 614 HE2 PHE 83 HE2 PHE 83 1.417 -1.563 12.730 615 HZ PHE 83 HZ PHE 83 1.171 -4.031 12.830 616 H GLY 84 H GLY 84 -4.473 -2.316 13.778 617 HA2 GLY 84 2HA GLY 84 -4.138 -1.912 15.958 618 HA3 GLY 84 3HA GLY 84 -2.881 -0.755 15.502 619 H ASP 85 H ASP 85 -3.238 1.293 16.288 620 HA ASP 85 HA ASP 85 -6.044 2.101 16.660 621 HB2 ASP 85 2HB ASP 85 -5.127 3.770 18.220 622 HB3 ASP 85 3HB ASP 85 -4.665 2.129 18.689 623 H ARG 86 H ARG 86 -3.957 2.207 14.176 624 HA ARG 86 HA ARG 86 -4.606 5.019 13.584 625 HB2 ARG 86 2HB ARG 86 -2.174 3.405 12.791 626 HB3 ARG 86 3HB ARG 86 -2.646 4.916 12.003 627 HG2 ARG 86 2HG ARG 86 -2.539 6.050 14.258 628 HG3 ARG 86 3HG ARG 86 -1.912 4.542 14.937 629 HD2 ARG 86 2HD ARG 86 -0.613 6.045 12.658 630 HD3 ARG 86 3HD ARG 86 -0.217 6.295 14.364 631 HE ARG 86 HE ARG 86 0.697 4.070 14.444 632 HH11 ARG 86 1HH1 ARG 86 -0.233 5.084 11.211 633 HH12 ARG 86 2HH1 ARG 86 0.810 3.943 10.429 634 HH21 ARG 86 1HH2 ARG 86 2.018 2.606 13.431 635 HH22 ARG 86 2HH2 ARG 86 2.103 2.518 11.703 636 H THR 87 H THR 87 -4.758 5.420 11.105 637 HA THR 87 HA THR 87 -5.977 3.066 9.846 638 HB THR 87 HB THR 87 -7.753 4.522 8.924 639 HG1 THR 87 HG1 THR 87 -7.955 6.699 9.819 640 HG21 THR 87 3HG2 THR 87 -7.503 4.720 11.966 641 HG22 THR 87 1HG2 THR 87 -9.016 4.916 11.020 642 HG23 THR 87 2HG2 THR 87 -8.172 3.331 11.045 643 H ALA 88 H ALA 88 -6.029 3.193 7.422 644 HA ALA 88 HA ALA 88 -4.638 5.469 6.253 645 HB1 ALA 88 3HB ALA 88 -3.767 2.565 5.853 646 HB2 ALA 88 1HB ALA 88 -3.170 3.977 4.918 647 HB3 ALA 88 2HB ALA 88 -2.827 3.855 6.677 648 H LYS 89 H LYS 89 -5.231 5.850 4.047 649 HA LYS 89 HA LYS 89 -7.372 4.094 3.058 650 HB2 LYS 89 2HB LYS 89 -8.331 6.021 4.366 651 HB3 LYS 89 3HB LYS 89 -7.513 7.139 3.267 652 HG2 LYS 89 2HG LYS 89 -8.842 6.353 1.372 653 HG3 LYS 89 3HG LYS 89 -9.550 5.056 2.344 654 HD2 LYS 89 2HD LYS 89 -10.587 6.764 3.858 655 HD3 LYS 89 3HD LYS 89 -9.887 8.056 2.873 656 HE2 LYS 89 2HE LYS 89 -11.163 7.280 0.893 657 HE3 LYS 89 3HE LYS 89 -11.810 5.918 1.816 658 HZ1 LYS 89 3HZ LYS 89 -12.289 8.765 2.425 659 HZ2 LYS 89 1HZ LYS 89 -13.357 7.743 1.731 660 HZ3 LYS 89 2HZ LYS 89 -12.887 7.508 3.277 661 H VAL 90 H VAL 90 -7.227 3.700 0.865 662 HA VAL 90 HA VAL 90 -5.255 5.349 -0.564 663 HB VAL 90 HB VAL 90 -4.379 3.097 -0.152 664 HG11 VAL 90 1HG1 VAL 90 -5.527 1.092 -1.043 665 HG12 VAL 90 2HG1 VAL 90 -6.513 1.927 0.204 666 HG13 VAL 90 3HG1 VAL 90 -6.919 2.114 -1.535 667 HG21 VAL 90 3HG2 VAL 90 -3.849 4.153 -2.306 668 HG22 VAL 90 1HG2 VAL 90 -3.994 2.372 -2.486 669 HG23 VAL 90 2HG2 VAL 90 -5.329 3.441 -3.034 670 H GLU 91 H GLU 91 -5.823 6.104 -2.645 671 HA GLU 91 HA GLU 91 -8.193 4.899 -3.883 672 HB2 GLU 91 2HB GLU 91 -9.092 7.077 -4.465 673 HB3 GLU 91 3HB GLU 91 -8.939 6.956 -2.707 674 HG2 GLU 91 2HG GLU 91 -6.792 8.270 -2.838 675 HG3 GLU 91 3HG GLU 91 -7.034 8.446 -4.581 676 H PHE 92 H PHE 92 -8.224 5.110 -6.237 677 HA PHE 92 HA PHE 92 -5.533 5.718 -7.293 678 HB2 PHE 92 2HB PHE 92 -7.548 3.561 -8.109 679 HB3 PHE 92 3HB PHE 92 -6.052 3.923 -8.982 680 HD1 PHE 92 HD1 PHE 92 -7.422 2.693 -5.744 681 HD2 PHE 92 HD2 PHE 92 -3.953 3.076 -8.244 682 HE1 PHE 92 HE1 PHE 92 -6.187 1.136 -4.265 683 HE2 PHE 92 HE2 PHE 92 -2.715 1.522 -6.766 684 HZ PHE 92 HZ PHE 92 -3.828 0.552 -4.771 685 H LEU 93 H LEU 93 -5.420 7.122 -9.027 686 HA LEU 93 HA LEU 93 -8.005 7.897 -10.230 687 HB2 LEU 93 2HB LEU 93 -7.195 9.662 -8.753 688 HB3 LEU 93 3HB LEU 93 -5.574 9.576 -9.455 689 HG LEU 93 HG LEU 93 -6.549 10.350 -11.668 690 HD11 LEU 93 1HD1 LEU 93 -8.798 11.367 -11.634 691 HD12 LEU 93 2HD1 LEU 93 -8.865 9.606 -11.287 692 HD13 LEU 93 3HD1 LEU 93 -9.034 10.792 -9.949 693 HD21 LEU 93 3HD2 LEU 93 -5.440 11.891 -10.092 694 HD22 LEU 93 1HD2 LEU 93 -6.808 12.697 -10.933 695 HD23 LEU 93 2HD2 LEU 93 -6.998 12.144 -9.235 696 H GLU 94 H GLU 94 -8.138 7.658 -12.428 697 HA GLU 94 HA GLU 94 -5.828 6.693 -13.835 698 HB2 GLU 94 2HB GLU 94 -8.152 5.871 -14.231 699 HB3 GLU 94 3HB GLU 94 -8.624 7.481 -14.788 700 HG2 GLU 94 2HG GLU 94 -6.981 7.307 -16.667 701 HG3 GLU 94 3HG GLU 94 -6.527 5.690 -16.115 702 H ALA 95 H ALA 95 -4.241 8.010 -14.631 703 HA ALA 95 HA ALA 95 -5.026 10.719 -15.464 704 HB1 ALA 95 3HB ALA 95 -2.297 9.447 -14.942 705 HB2 ALA 95 1HB ALA 95 -2.583 11.150 -15.436 706 HB3 ALA 95 2HB ALA 95 -3.179 10.563 -13.846 707 HA PRO 96 HA PRO 96 -4.443 9.800 -19.764 708 HB2 PRO 96 2HB PRO 96 -3.147 12.115 -20.617 709 HB3 PRO 96 3HB PRO 96 -4.869 12.118 -20.214 710 HG2 PRO 96 2HG PRO 96 -2.508 12.950 -18.495 711 HG3 PRO 96 3HG PRO 96 -4.052 13.778 -18.735 712 HD2 PRO 96 2HD PRO 96 -3.626 12.273 -16.514 713 HD3 PRO 96 3HD PRO 96 -5.222 12.310 -17.276 714 H GLN 97 H GLN 97 -1.596 10.611 -17.778 715 HA GLN 97 HA GLN 97 0.082 9.485 -19.913 716 HB2 GLN 97 2HB GLN 97 0.760 11.120 -17.415 717 HB3 GLN 97 3HB GLN 97 1.949 10.489 -18.563 718 HG2 GLN 97 2HG GLN 97 0.912 11.853 -20.378 719 HG3 GLN 97 3HG GLN 97 -0.264 12.491 -19.222 720 HE21 GLN 97 1HE2 GLN 97 0.826 14.519 -20.148 721 HE22 GLN 97 2HE2 GLN 97 2.182 15.140 -19.267 722 H GLY 98 H GLY 98 -1.478 8.626 -16.939 723 HA2 GLY 98 2HA GLY 98 -0.232 6.125 -16.756 724 HA3 GLY 98 3HA GLY 98 0.599 7.229 -15.652 725 H VAL 99 H VAL 99 -0.303 5.644 -13.972 726 HA VAL 99 HA VAL 99 -3.017 6.530 -13.266 727 HB VAL 99 HB VAL 99 -1.515 3.962 -12.551 728 HG11 VAL 99 1HG1 VAL 99 -3.565 3.320 -11.321 729 HG12 VAL 99 2HG1 VAL 99 -2.790 4.778 -10.613 730 HG13 VAL 99 3HG1 VAL 99 -4.257 4.948 -11.634 731 HG21 VAL 99 3HG2 VAL 99 -2.481 3.977 -14.811 732 HG22 VAL 99 1HG2 VAL 99 -3.388 2.860 -13.736 733 HG23 VAL 99 2HG2 VAL 99 -4.073 4.470 -14.141 734 H THR 100 H THR 100 -3.268 7.660 -11.337 735 HA THR 100 HA THR 100 -0.809 8.069 -9.813 736 HB THR 100 HB THR 100 -3.451 9.617 -9.911 737 HG1 THR 100 HG1 THR 100 -0.756 10.354 -10.731 738 HG21 THR 100 3HG2 THR 100 -0.870 10.197 -8.373 739 HG22 THR 100 1HG2 THR 100 -2.290 11.289 -8.496 740 HG23 THR 100 2HG2 THR 100 -2.444 9.708 -7.658 741 H VAL 101 H VAL 101 -0.574 7.204 -7.766 742 HA VAL 101 HA VAL 101 -3.009 6.101 -6.549 743 HB VAL 101 HB VAL 101 -0.058 5.413 -6.083 744 HG11 VAL 101 1HG1 VAL 101 -0.935 3.538 -4.735 745 HG12 VAL 101 2HG1 VAL 101 -1.405 5.131 -4.052 746 HG13 VAL 101 3HG1 VAL 101 -2.605 4.156 -4.966 747 HG21 VAL 101 3HG2 VAL 101 -0.860 4.662 -8.277 748 HG22 VAL 101 1HG2 VAL 101 -0.622 3.267 -7.171 749 HG23 VAL 101 2HG2 VAL 101 -2.278 3.875 -7.504 750 H ARG 102 H ARG 102 -3.799 7.145 -4.747 751 HA ARG 102 HA ARG 102 -1.906 8.902 -3.330 752 HB2 ARG 102 2HB ARG 102 -4.820 9.320 -4.001 753 HB3 ARG 102 3HB ARG 102 -3.988 10.222 -2.728 754 HG2 ARG 102 2HG ARG 102 -2.379 11.113 -4.358 755 HG3 ARG 102 3HG ARG 102 -3.102 10.139 -5.645 756 HD2 ARG 102 2HD ARG 102 -5.151 11.371 -5.530 757 HD3 ARG 102 3HD ARG 102 -4.622 12.225 -4.075 758 HE ARG 102 HE ARG 102 -2.734 12.802 -6.060 759 HH11 ARG 102 1HH1 ARG 102 -6.184 13.291 -5.593 760 HH12 ARG 102 2HH1 ARG 102 -6.214 14.763 -6.506 761 HH21 ARG 102 1HH2 ARG 102 -2.792 14.684 -7.234 762 HH22 ARG 102 2HH2 ARG 102 -4.269 15.563 -7.448 763 H VAL 103 H VAL 103 -1.557 8.423 -1.201 764 HA VAL 103 HA VAL 103 -3.644 6.840 0.128 765 HB VAL 103 HB VAL 103 -0.607 6.567 0.409 766 HG11 VAL 103 1HG1 VAL 103 -1.135 4.690 1.934 767 HG12 VAL 103 2HG1 VAL 103 -1.759 6.254 2.558 768 HG13 VAL 103 3HG1 VAL 103 -2.883 5.077 1.799 769 HG21 VAL 103 3HG2 VAL 103 -1.473 5.560 -1.660 770 HG22 VAL 103 1HG2 VAL 103 -0.972 4.290 -0.494 771 HG23 VAL 103 2HG2 VAL 103 -2.714 4.664 -0.720 772 H SER 104 H SER 104 -4.407 7.784 2.012 773 HA SER 104 HA SER 104 -2.580 9.661 3.381 774 HB2 SER 104 2HB SER 104 -5.624 9.567 3.224 775 HB3 SER 104 3HB SER 104 -4.720 10.605 4.334 776 HG SER 104 HG SER 104 -5.309 11.697 2.380 777 H PHE 105 H PHE 105 -2.046 9.230 5.511 778 HA PHE 105 HA PHE 105 -3.481 7.068 6.856 779 HB2 PHE 105 2HB PHE 105 -1.434 5.800 7.237 780 HB3 PHE 105 3HB PHE 105 -1.695 5.978 5.497 781 HD1 PHE 105 HD1 PHE 105 -0.334 7.637 4.195 782 HD2 PHE 105 HD2 PHE 105 0.500 6.712 8.307 783 HE1 PHE 105 HE1 PHE 105 1.934 8.600 3.950 784 HE2 PHE 105 HE2 PHE 105 2.767 7.677 8.064 785 HZ PHE 105 HZ PHE 105 3.491 8.621 5.884 786 H VAL 106 H VAL 106 -2.879 6.908 9.191 787 HA VAL 106 HA VAL 106 -2.201 9.508 10.229 788 HB VAL 106 HB VAL 106 -2.913 6.862 11.593 789 HG11 VAL 106 1HG1 VAL 106 -3.229 8.230 13.632 790 HG12 VAL 106 2HG1 VAL 106 -1.528 8.272 13.056 791 HG13 VAL 106 3HG1 VAL 106 -2.613 9.671 12.755 792 HG21 VAL 106 3HG2 VAL 106 -4.753 7.816 10.272 793 HG22 VAL 106 1HG2 VAL 106 -5.084 7.967 12.031 794 HG23 VAL 106 2HG2 VAL 106 -4.538 9.399 11.093 795 H ALA 107 H ALA 107 -0.273 10.085 11.288 796 HA ALA 107 HA ALA 107 1.981 8.411 10.727 797 HB1 ALA 107 3HB ALA 107 1.684 11.021 12.294 798 HB2 ALA 107 1HB ALA 107 3.237 10.271 11.794 799 HB3 ALA 107 2HB ALA 107 2.086 10.866 10.550 800 H GLU 108 H GLU 108 3.308 7.244 12.160 801 HA GLU 108 HA GLU 108 2.092 6.416 14.613 802 HB2 GLU 108 2HB GLU 108 3.448 4.912 13.192 803 HB3 GLU 108 3HB GLU 108 4.865 5.946 13.417 804 HG2 GLU 108 2HG GLU 108 5.019 3.987 14.871 805 HG3 GLU 108 3HG GLU 108 4.860 5.450 15.851 806 H THR 109 H THR 109 2.296 7.334 16.625 807 HA THR 109 HA THR 109 3.567 9.822 16.820 808 HB THR 109 HB THR 109 2.963 9.677 19.232 809 HG1 THR 109 HG1 THR 109 1.885 7.701 19.948 810 HG21 THR 109 3HG2 THR 109 0.807 8.602 17.349 811 HG22 THR 109 1HG2 THR 109 0.520 9.394 18.936 812 HG23 THR 109 2HG2 THR 109 1.245 10.328 17.584 813 H GLU 110 H GLU 110 4.739 6.516 17.307 814 HA GLU 110 HA GLU 110 6.808 7.191 19.152 815 HB2 GLU 110 2HB GLU 110 6.344 4.831 17.267 816 HB3 GLU 110 3HB GLU 110 7.703 4.927 18.395 817 HG2 GLU 110 2HG GLU 110 6.138 5.019 20.313 818 HG3 GLU 110 3HG GLU 110 4.755 5.007 19.211 819 H TYR 111 H TYR 111 6.365 7.783 15.748 820 HA TYR 111 HA TYR 111 9.261 8.288 15.524 821 HB2 TYR 111 2HB TYR 111 7.326 7.197 13.421 822 HB3 TYR 111 3HB TYR 111 8.961 7.771 13.065 823 HD1 TYR 111 HD1 TYR 111 6.965 5.089 14.634 824 HD2 TYR 111 HD2 TYR 111 10.930 6.479 13.758 825 HE1 TYR 111 HE1 TYR 111 7.865 2.844 15.159 826 HE2 TYR 111 HE2 TYR 111 11.837 4.237 14.280 827 HH TYR 111 HH TYR 111 11.395 2.169 14.914 828 HA PRO 112 HA PRO 112 8.086 12.400 14.366 829 HB2 PRO 112 2HB PRO 112 10.194 13.017 12.654 830 HB3 PRO 112 3HB PRO 112 10.429 12.924 14.405 831 HG2 PRO 112 2HG PRO 112 10.998 10.820 12.289 832 HG3 PRO 112 3HG PRO 112 12.010 11.329 13.647 833 HD2 PRO 112 2HD PRO 112 10.515 9.065 13.805 834 HD3 PRO 112 3HD PRO 112 10.753 10.087 15.229 835 H VAL 113 H VAL 113 7.107 13.659 12.770 836 HA VAL 113 HA VAL 113 5.586 12.188 11.013 837 HB VAL 113 HB VAL 113 6.354 15.147 11.027 838 HG11 VAL 113 1HG1 VAL 113 4.414 15.504 9.531 839 HG12 VAL 113 2HG1 VAL 113 5.682 14.498 8.753 840 HG13 VAL 113 3HG1 VAL 113 4.194 13.727 9.399 841 HG21 VAL 113 3HG2 VAL 113 5.109 14.365 12.996 842 HG22 VAL 113 1HG2 VAL 113 4.085 15.429 11.973 843 HG23 VAL 113 2HG2 VAL 113 3.852 13.649 11.932 844 H GLU 114 H GLU 114 8.740 13.900 10.463 845 HA GLU 114 HA GLU 114 8.672 13.799 7.667 846 HB2 GLU 114 2HB GLU 114 10.949 13.864 9.699 847 HB3 GLU 114 3HB GLU 114 11.215 13.961 7.953 848 HG2 GLU 114 2HG GLU 114 9.904 16.039 7.821 849 HG3 GLU 114 3HG GLU 114 9.477 15.918 9.533 850 H GLN 115 H GLN 115 9.849 11.405 10.134 851 HA GLN 115 HA GLN 115 11.119 9.731 8.254 852 HB2 GLN 115 2HB GLN 115 11.560 9.721 10.703 853 HB3 GLN 115 3HB GLN 115 9.918 9.138 11.005 854 HG2 GLN 115 2HG GLN 115 11.466 7.276 11.152 855 HG3 GLN 115 3HG GLN 115 10.425 7.053 9.739 856 HE21 GLN 115 1HE2 GLN 115 11.646 5.985 8.287 857 HE22 GLN 115 2HE2 GLN 115 13.219 6.465 7.742 858 H GLN 116 H GLN 116 7.747 9.819 9.612 859 HA GLN 116 HA GLN 116 6.983 7.364 8.416 860 HB2 GLN 116 2HB GLN 116 5.472 9.778 9.515 861 HB3 GLN 116 3HB GLN 116 4.637 8.380 8.827 862 HG2 GLN 116 2HG GLN 116 6.565 8.294 11.194 863 HG3 GLN 116 3HG GLN 116 4.800 8.299 11.310 864 HE21 GLN 116 1HE2 GLN 116 7.279 6.312 11.694 865 HE22 GLN 116 2HE2 GLN 116 6.632 4.815 11.109 866 H GLN 117 H GLN 117 6.759 10.848 7.385 867 HA GLN 117 HA GLN 117 5.147 10.374 5.144 868 HB2 GLN 117 2HB GLN 117 5.547 12.604 6.143 869 HB3 GLN 117 3HB GLN 117 7.260 12.516 5.710 870 HG2 GLN 117 2HG GLN 117 6.643 12.461 3.295 871 HG3 GLN 117 3HG GLN 117 4.932 12.557 3.731 872 HE21 GLN 117 1HE2 GLN 117 5.418 14.492 2.172 873 HE22 GLN 117 2HE2 GLN 117 5.748 16.005 2.948 874 H GLN 118 H GLN 118 8.788 10.585 5.468 875 HA GLN 118 HA GLN 118 9.181 10.230 2.680 876 HB2 GLN 118 2HB GLN 118 10.992 9.992 5.130 877 HB3 GLN 118 3HB GLN 118 11.580 9.768 3.478 878 HG2 GLN 118 2HG GLN 118 10.936 12.064 2.890 879 HG3 GLN 118 3HG GLN 118 10.209 12.302 4.485 880 HE21 GLN 118 1HE2 GLN 118 12.004 14.131 3.871 881 HE22 GLN 118 2HE2 GLN 118 13.520 13.883 4.671 882 H GLY 119 H GLY 119 9.194 7.984 5.545 883 HA2 GLY 119 2HA GLY 119 10.281 5.783 4.162 884 HA3 GLY 119 3HA GLY 119 9.340 5.749 5.659 885 H TRP 120 H TRP 120 6.817 6.766 4.819 886 HA TRP 120 HA TRP 120 5.746 4.455 3.576 887 HB2 TRP 120 2HB TRP 120 4.710 6.199 5.260 888 HB3 TRP 120 3HB TRP 120 4.346 7.145 3.811 889 HD1 TRP 120 HD1 TRP 120 2.323 6.343 2.284 890 HE1 TRP 120 HE1 TRP 120 0.531 4.491 2.535 891 HE3 TRP 120 HE3 TRP 120 4.396 3.736 6.197 892 HZ2 TRP 120 HZ2 TRP 120 0.051 2.244 4.156 893 HZ3 TRP 120 HZ3 TRP 120 3.204 1.732 7.053 894 HH2 TRP 120 HH2 TRP 120 1.063 0.995 6.041 895 H GLN 121 H GLN 121 6.587 7.785 2.387 896 HA GLN 121 HA GLN 121 5.527 7.470 -0.186 897 HB2 GLN 121 2HB GLN 121 6.317 9.618 0.764 898 HB3 GLN 121 3HB GLN 121 7.975 9.006 0.824 899 HG2 GLN 121 2HG GLN 121 7.850 10.398 -1.103 900 HG3 GLN 121 3HG GLN 121 7.883 8.734 -1.702 901 HE21 GLN 121 1HE2 GLN 121 6.679 8.701 -3.511 902 HE22 GLN 121 2HE2 GLN 121 5.076 9.337 -3.674 903 H ALA 122 H ALA 122 8.679 6.422 1.279 904 HA ALA 122 HA ALA 122 9.933 5.764 -1.139 905 HB1 ALA 122 3HB ALA 122 10.245 4.597 1.671 906 HB2 ALA 122 1HB ALA 122 11.404 4.389 0.315 907 HB3 ALA 122 2HB ALA 122 11.116 6.021 1.007 908 H ILE 123 H ILE 123 7.530 3.994 0.868 909 HA ILE 123 HA ILE 123 7.929 1.485 -0.295 910 HB ILE 123 HB ILE 123 5.473 2.824 0.941 911 HG12 ILE 123 2HG1 ILE 123 7.291 0.624 2.021 912 HG13 ILE 123 3HG1 ILE 123 7.555 2.344 2.339 913 HG21 ILE 123 1HG2 ILE 123 4.488 0.561 1.076 914 HG22 ILE 123 2HG2 ILE 123 4.736 1.081 -0.625 915 HG23 ILE 123 3HG2 ILE 123 5.867 -0.092 0.129 916 HD11 ILE 123 3HD1 ILE 123 5.060 0.755 3.089 917 HD12 ILE 123 1HD1 ILE 123 6.372 1.271 4.202 918 HD13 ILE 123 2HD1 ILE 123 5.328 2.502 3.413 919 H LEU 124 H LEU 124 5.700 4.236 -1.201 920 HA LEU 124 HA LEU 124 4.630 2.836 -3.446 921 HB2 LEU 124 2HB LEU 124 4.686 5.775 -2.615 922 HB3 LEU 124 3HB LEU 124 3.826 5.176 -4.039 923 HG LEU 124 HG LEU 124 3.262 4.317 -1.153 924 HD11 LEU 124 1HD1 LEU 124 1.186 5.622 -1.428 925 HD12 LEU 124 2HD1 LEU 124 2.644 6.659 -1.590 926 HD13 LEU 124 3HD1 LEU 124 1.734 6.154 -3.054 927 HD21 LEU 124 3HD2 LEU 124 2.794 2.553 -2.814 928 HD22 LEU 124 1HD2 LEU 124 1.272 3.235 -2.146 929 HD23 LEU 124 2HD2 LEU 124 1.829 3.716 -3.785 930 H ASN 125 H ASN 125 7.480 4.957 -2.893 931 HA ASN 125 HA ASN 125 8.022 5.432 -5.615 932 HB2 ASN 125 2HB ASN 125 9.776 5.350 -3.137 933 HB3 ASN 125 3HB ASN 125 10.386 5.776 -4.741 934 HD21 ASN 125 1HD2 ASN 125 10.658 7.537 -2.756 935 HD22 ASN 125 2HD2 ASN 125 9.649 8.915 -3.048 936 H ASN 126 H ASN 126 8.885 2.726 -3.357 937 HA ASN 126 HA ASN 126 10.500 1.392 -5.279 938 HB2 ASN 126 2HB ASN 126 9.108 0.535 -2.725 939 HB3 ASN 126 3HB ASN 126 10.015 -0.599 -3.735 940 HD21 ASN 126 1HD2 ASN 126 10.669 -0.100 -1.120 941 HD22 ASN 126 2HD2 ASN 126 12.242 0.626 -1.079 942 H PHE 127 H PHE 127 6.973 1.429 -4.508 943 HA PHE 127 HA PHE 127 6.220 -0.690 -6.174 944 HB2 PHE 127 2HB PHE 127 4.707 0.430 -4.584 945 HB3 PHE 127 3HB PHE 127 4.836 1.948 -5.483 946 HD1 PHE 127 HD1 PHE 127 4.854 -0.774 -7.769 947 HD2 PHE 127 HD2 PHE 127 2.233 1.579 -5.311 948 HE1 PHE 127 HE1 PHE 127 2.932 -1.441 -9.179 949 HE2 PHE 127 HE2 PHE 127 0.311 0.909 -6.719 950 HZ PHE 127 HZ PHE 127 0.658 -0.606 -8.654 951 H LYS 128 H LYS 128 6.876 2.819 -6.911 952 HA LYS 128 HA LYS 128 6.293 2.677 -9.642 953 HB2 LYS 128 2HB LYS 128 6.687 4.762 -8.353 954 HB3 LYS 128 3HB LYS 128 8.384 4.317 -8.133 955 HG2 LYS 128 2HG LYS 128 8.736 4.421 -10.600 956 HG3 LYS 128 3HG LYS 128 7.037 4.856 -10.827 957 HD2 LYS 128 2HD LYS 128 7.361 6.913 -9.461 958 HD3 LYS 128 3HD LYS 128 9.049 6.471 -9.172 959 HE2 LYS 128 2HE LYS 128 9.461 6.530 -11.659 960 HE3 LYS 128 3HE LYS 128 7.787 7.044 -11.905 961 HZ1 LYS 128 3HZ LYS 128 9.811 8.527 -10.354 962 HZ2 LYS 128 1HZ LYS 128 9.285 8.909 -11.852 963 HZ3 LYS 128 2HZ LYS 128 8.265 9.002 -10.581 964 H ARG 129 H ARG 129 9.314 1.841 -7.794 965 HA ARG 129 HA ARG 129 10.930 1.355 -9.999 966 HB2 ARG 129 2HB ARG 129 11.746 1.505 -7.707 967 HB3 ARG 129 3HB ARG 129 10.919 -0.002 -7.291 968 HG2 ARG 129 2HG ARG 129 12.317 -1.194 -9.005 969 HG3 ARG 129 3HG ARG 129 13.187 0.316 -9.304 970 HD2 ARG 129 2HD ARG 129 14.543 -0.893 -7.856 971 HD3 ARG 129 3HD ARG 129 13.774 0.342 -6.851 972 HE ARG 129 HE ARG 129 12.704 -1.315 -5.653 973 HH11 ARG 129 1HH1 ARG 129 13.989 -2.748 -8.593 974 HH12 ARG 129 2HH1 ARG 129 13.708 -4.372 -8.061 975 HH21 ARG 129 1HH2 ARG 129 12.341 -3.401 -4.988 976 HH22 ARG 129 2HH2 ARG 129 12.761 -4.748 -5.992 977 H HIS 130 H HIS 130 8.502 -0.793 -8.352 978 HA HIS 130 HA HIS 130 9.100 -3.096 -9.832 979 HB2 HIS 130 2HB HIS 130 7.741 -3.165 -7.811 980 HB3 HIS 130 3HB HIS 130 6.535 -2.082 -8.518 981 HD2 HIS 130 HD2 HIS 130 4.412 -3.445 -9.565 982 HE1 HIS 130 HE1 HIS 130 6.379 -7.185 -10.249 983 H VAL 131 H VAL 131 6.836 -0.317 -10.496 984 HA VAL 131 HA VAL 131 5.792 -1.420 -12.849 985 HB VAL 131 HB VAL 131 6.135 1.464 -11.887 986 HG11 VAL 131 1HG1 VAL 131 4.500 2.086 -13.638 987 HG12 VAL 131 2HG1 VAL 131 6.019 1.438 -14.342 988 HG13 VAL 131 3HG1 VAL 131 4.550 0.408 -14.275 989 HG21 VAL 131 3HG2 VAL 131 4.639 0.065 -10.526 990 HG22 VAL 131 1HG2 VAL 131 3.705 1.296 -11.442 991 HG23 VAL 131 2HG2 VAL 131 3.727 -0.412 -11.997 992 H GLU 132 H GLU 132 8.724 0.617 -12.182 993 HA GLU 132 HA GLU 132 9.381 1.104 -14.869 994 HB2 GLU 132 2HB GLU 132 10.995 0.917 -12.288 995 HB3 GLU 132 3HB GLU 132 11.745 1.309 -13.841 996 HG2 GLU 132 2HG GLU 132 10.370 3.326 -14.062 997 HG3 GLU 132 3HG GLU 132 9.443 2.905 -12.616 998 H SER 133 H SER 133 9.821 -1.770 -12.762 999 HA SER 133 HA SER 133 11.715 -3.065 -14.433 1000 HB2 SER 133 2HB SER 133 9.645 -4.132 -12.460 1001 HB3 SER 133 3HB SER 133 10.940 -5.092 -13.187 1002 HG SER 133 HG SER 133 11.233 -2.776 -11.492 1003 H HIS 134 H HIS 134 8.337 -2.315 -14.874 1004 HA HIS 134 HA HIS 134 7.922 -4.581 -16.659 1005 HB2 HIS 134 2HB HIS 134 6.151 -2.211 -15.883 1006 HB3 HIS 134 3HB HIS 134 5.659 -3.543 -16.937 1007 HD2 HIS 134 HD2 HIS 134 7.444 -5.558 -14.494 1008 HE1 HIS 134 HE1 HIS 134 3.751 -4.723 -12.499 1009 H LEU 135 H LEU 135 9.774 -1.893 -16.973 1010 HA LEU 135 HA LEU 135 8.796 -1.048 -19.570 1011 HB2 LEU 135 2HB LEU 135 11.365 -0.429 -18.031 1012 HB3 LEU 135 3HB LEU 135 10.858 0.350 -19.535 1013 HG LEU 135 HG LEU 135 9.333 0.497 -16.880 1014 HD11 LEU 135 1HD1 LEU 135 10.107 2.837 -16.840 1015 HD12 LEU 135 2HD1 LEU 135 11.485 1.686 -16.805 1016 HD13 LEU 135 3HD1 LEU 135 11.072 2.546 -18.326 1017 HD21 LEU 135 3HD2 LEU 135 7.878 0.637 -18.870 1018 HD22 LEU 135 1HD2 LEU 135 8.010 2.230 -18.049 1019 HD23 LEU 135 2HD2 LEU 135 8.934 1.917 -19.558 1020 H GLU 136 H GLU 136 11.223 -0.764 -21.006 1021 HA GLU 136 HA GLU 136 11.421 -3.434 -22.022 1022 HB2 GLU 136 2HB GLU 136 12.889 -0.842 -22.712 1023 HB3 GLU 136 3HB GLU 136 13.013 -2.348 -23.631 1024 HG2 GLU 136 2HG GLU 136 10.626 -2.246 -24.212 1025 HG3 GLU 136 3HG GLU 136 10.400 -0.826 -23.183 1026 H HIS 137 H HIS 137 12.264 -4.278 -19.791 1027 HA HIS 137 HA HIS 137 14.887 -3.622 -18.995 1028 HB2 HIS 137 2HB HIS 137 13.066 -4.783 -17.636 1029 HB3 HIS 137 3HB HIS 137 13.373 -6.246 -18.582 1030 HD2 HIS 137 HD2 HIS 137 14.786 -4.404 -15.499 1031 HE1 HIS 137 HE1 HIS 137 17.556 -7.510 -16.495 1032 H HIS 138 H HIS 138 16.901 -4.394 -19.623 1033 HA HIS 138 HA HIS 138 16.862 -6.329 -21.843 1034 HB2 HIS 138 2HB HIS 138 18.954 -4.250 -21.024 1035 HB3 HIS 138 3HB HIS 138 19.115 -5.382 -22.374 1036 HD2 HIS 138 HD2 HIS 138 17.500 -1.945 -21.584 1037 HE1 HIS 138 HE1 HIS 138 16.280 -3.068 -25.530 Start of MODEL 14 1 H1 MET 1 1H MET 1 -0.729 12.839 14.636 2 H2 MET 1 2H MET 1 -1.773 11.977 13.724 3 H3 MET 1 3H MET 1 -0.303 11.363 14.083 4 HA MET 1 HA MET 1 -0.708 13.806 12.549 5 HB2 MET 1 2HB MET 1 1.700 11.972 12.964 6 HB3 MET 1 3HB MET 1 1.655 13.339 11.842 7 HG2 MET 1 2HG MET 1 1.309 13.525 14.874 8 HG3 MET 1 3HG MET 1 2.798 13.879 13.987 9 HE1 MET 1 3HE MET 1 1.729 15.633 11.343 10 HE2 MET 1 1HE MET 1 2.154 17.170 12.170 11 HE3 MET 1 2HE MET 1 3.177 15.713 12.402 12 H ASN 2 H ASN 2 -1.601 13.555 10.547 13 HA ASN 2 HA ASN 2 -1.621 10.866 9.409 14 HB2 ASN 2 2HB ASN 2 -3.054 13.438 8.650 15 HB3 ASN 2 3HB ASN 2 -3.166 11.929 7.735 16 HD21 ASN 2 1HD2 ASN 2 -4.658 13.781 9.961 17 HD22 ASN 2 2HD2 ASN 2 -5.666 12.583 10.701 18 H ILE 3 H ILE 3 -0.355 10.266 7.667 19 HA ILE 3 HA ILE 3 1.195 12.426 6.423 20 HB ILE 3 HB ILE 3 1.731 9.419 6.644 21 HG12 ILE 3 2HG1 ILE 3 3.260 11.805 7.785 22 HG13 ILE 3 3HG1 ILE 3 2.087 10.850 8.701 23 HG21 ILE 3 1HG2 ILE 3 3.885 9.914 5.536 24 HG22 ILE 3 2HG2 ILE 3 2.486 10.282 4.472 25 HG23 ILE 3 3HG2 ILE 3 3.365 11.616 5.292 26 HD11 ILE 3 3HD1 ILE 3 4.656 9.789 7.442 27 HD12 ILE 3 1HD1 ILE 3 4.383 10.132 9.184 28 HD13 ILE 3 2HD1 ILE 3 3.466 8.818 8.372 29 H THR 4 H THR 4 0.953 12.830 4.218 30 HA THR 4 HA THR 4 -0.635 10.852 2.731 31 HB THR 4 HB THR 4 -0.394 13.881 2.335 32 HG1 THR 4 HG1 THR 4 -2.742 12.281 2.931 33 HG21 THR 4 3HG2 THR 4 -2.001 11.786 0.791 34 HG22 THR 4 1HG2 THR 4 -2.090 13.564 0.556 35 HG23 THR 4 2HG2 THR 4 -0.570 12.683 0.183 36 H VAL 5 H VAL 5 0.300 9.952 0.892 37 HA VAL 5 HA VAL 5 2.661 11.329 -0.171 38 HB VAL 5 HB VAL 5 2.358 8.315 0.268 39 HG11 VAL 5 1HG1 VAL 5 4.692 8.197 -0.553 40 HG12 VAL 5 2HG1 VAL 5 3.576 8.849 -1.800 41 HG13 VAL 5 3HG1 VAL 5 4.656 9.960 -0.892 42 HG21 VAL 5 3HG2 VAL 5 2.809 9.521 2.361 43 HG22 VAL 5 1HG2 VAL 5 4.250 8.583 1.841 44 HG23 VAL 5 2HG2 VAL 5 4.198 10.361 1.592 45 H GLU 6 H GLU 6 3.068 10.901 -2.493 46 HA GLU 6 HA GLU 6 0.760 9.726 -3.879 47 HB2 GLU 6 2HB GLU 6 1.988 12.484 -4.349 48 HB3 GLU 6 3HB GLU 6 0.897 11.679 -5.485 49 HG2 GLU 6 2HG GLU 6 -0.900 11.662 -3.770 50 HG3 GLU 6 3HG GLU 6 0.189 12.426 -2.605 51 H THR 7 H THR 7 1.312 8.552 -5.725 52 HA THR 7 HA THR 7 3.942 9.084 -6.870 53 HB THR 7 HB THR 7 2.876 6.300 -6.161 54 HG1 THR 7 HG1 THR 7 5.276 6.610 -5.135 55 HG21 THR 7 3HG2 THR 7 5.453 7.168 -7.563 56 HG22 THR 7 1HG2 THR 7 5.035 5.491 -7.072 57 HG23 THR 7 2HG2 THR 7 4.061 6.329 -8.327 58 H THR 8 H THR 8 3.880 9.129 -9.124 59 HA THR 8 HA THR 8 1.333 8.296 -10.313 60 HB THR 8 HB THR 8 3.486 10.247 -11.290 61 HG1 THR 8 HG1 THR 8 1.725 11.786 -10.955 62 HG21 THR 8 3HG2 THR 8 0.803 9.465 -12.530 63 HG22 THR 8 1HG2 THR 8 1.895 10.764 -13.117 64 HG23 THR 8 2HG2 THR 8 2.428 9.050 -13.171 65 H VAL 9 H VAL 9 1.323 6.490 -11.626 66 HA VAL 9 HA VAL 9 3.950 5.597 -12.598 67 HB VAL 9 HB VAL 9 3.095 3.267 -12.357 68 HG11 VAL 9 1HG1 VAL 9 3.206 3.150 -9.888 69 HG12 VAL 9 2HG1 VAL 9 4.444 4.264 -10.561 70 HG13 VAL 9 3HG1 VAL 9 2.960 4.927 -9.797 71 HG21 VAL 9 3HG2 VAL 9 0.689 3.738 -12.556 72 HG22 VAL 9 1HG2 VAL 9 1.043 2.848 -11.037 73 HG23 VAL 9 2HG2 VAL 9 0.718 4.613 -10.988 74 H ALA 10 H ALA 10 4.014 4.640 -14.725 75 HA ALA 10 HA ALA 10 1.807 5.454 -16.421 76 HB1 ALA 10 3HB ALA 10 4.494 4.116 -17.003 77 HB2 ALA 10 1HB ALA 10 3.335 4.721 -18.235 78 HB3 ALA 10 2HB ALA 10 4.134 5.872 -17.111 79 H ALA 11 H ALA 11 0.205 3.908 -15.412 80 HA ALA 11 HA ALA 11 0.160 1.493 -16.984 81 HB1 ALA 11 3HB ALA 11 0.296 1.371 -13.931 82 HB2 ALA 11 1HB ALA 11 -0.101 -0.002 -15.019 83 HB3 ALA 11 2HB ALA 11 1.530 0.748 -15.077 84 HA PRO 12 HA PRO 12 -4.171 2.278 -16.803 85 HB2 PRO 12 2HB PRO 12 -4.480 -0.743 -16.601 86 HB3 PRO 12 3HB PRO 12 -5.154 0.350 -17.817 87 HG2 PRO 12 2HG PRO 12 -3.100 -1.223 -18.468 88 HG3 PRO 12 3HG PRO 12 -3.136 0.446 -19.052 89 HD2 PRO 12 2HD PRO 12 -1.536 -0.727 -16.737 90 HD3 PRO 12 3HD PRO 12 -1.016 0.431 -17.969 91 H VAL 13 H VAL 13 -5.967 2.403 -15.445 92 HA VAL 13 HA VAL 13 -5.207 2.550 -12.782 93 HB VAL 13 HB VAL 13 -7.962 2.503 -14.107 94 HG11 VAL 13 1HG1 VAL 13 -8.817 3.478 -12.000 95 HG12 VAL 13 2HG1 VAL 13 -8.170 1.821 -11.756 96 HG13 VAL 13 3HG1 VAL 13 -7.205 3.246 -11.244 97 HG21 VAL 13 3HG2 VAL 13 -6.510 4.373 -14.769 98 HG22 VAL 13 1HG2 VAL 13 -7.861 4.948 -13.735 99 HG23 VAL 13 2HG2 VAL 13 -6.214 4.770 -13.043 100 H GLY 14 H GLY 14 -7.014 -0.031 -14.601 101 HA2 GLY 14 2HA GLY 14 -7.887 -1.442 -12.325 102 HA3 GLY 14 3HA GLY 14 -7.719 -2.064 -13.972 103 H LYS 15 H LYS 15 -4.879 -1.745 -14.374 104 HA LYS 15 HA LYS 15 -3.967 -4.059 -13.013 105 HB2 LYS 15 2HB LYS 15 -2.611 -1.949 -14.750 106 HB3 LYS 15 3HB LYS 15 -1.754 -3.350 -14.094 107 HG2 LYS 15 2HG LYS 15 -3.370 -4.864 -15.285 108 HG3 LYS 15 3HG LYS 15 -4.160 -3.444 -15.980 109 HD2 LYS 15 2HD LYS 15 -1.981 -2.765 -17.035 110 HD3 LYS 15 3HD LYS 15 -1.218 -4.214 -16.365 111 HE2 LYS 15 2HE LYS 15 -2.834 -5.650 -17.625 112 HE3 LYS 15 3HE LYS 15 -3.603 -4.203 -18.291 113 HZ1 LYS 15 3HZ LYS 15 -0.790 -4.985 -18.721 114 HZ2 LYS 15 1HZ LYS 15 -2.000 -5.130 -19.808 115 HZ3 LYS 15 2HZ LYS 15 -1.500 -3.649 -19.336 116 H VAL 16 H VAL 16 -3.435 -0.497 -12.554 117 HA VAL 16 HA VAL 16 -1.400 -0.778 -10.652 118 HB VAL 16 HB VAL 16 -3.466 1.407 -11.192 119 HG11 VAL 16 1HG1 VAL 16 -2.098 2.876 -9.746 120 HG12 VAL 16 2HG1 VAL 16 -2.817 1.513 -8.824 121 HG13 VAL 16 3HG1 VAL 16 -1.082 1.469 -9.285 122 HG21 VAL 16 3HG2 VAL 16 -1.796 1.036 -12.957 123 HG22 VAL 16 1HG2 VAL 16 -1.510 2.602 -12.125 124 HG23 VAL 16 2HG2 VAL 16 -0.472 1.185 -11.752 125 H TRP 17 H TRP 17 -5.025 -0.517 -10.325 126 HA TRP 17 HA TRP 17 -5.028 -0.435 -7.515 127 HB2 TRP 17 2HB TRP 17 -6.933 0.210 -8.988 128 HB3 TRP 17 3HB TRP 17 -7.120 -1.475 -9.490 129 HD1 TRP 17 HD1 TRP 17 -7.606 0.816 -6.396 130 HE1 TRP 17 HE1 TRP 17 -9.239 -0.349 -4.764 131 HE3 TRP 17 HE3 TRP 17 -8.027 -3.719 -8.778 132 HZ2 TRP 17 HZ2 TRP 17 -10.530 -2.834 -4.511 133 HZ3 TRP 17 HZ3 TRP 17 -9.494 -5.462 -7.771 134 HH2 TRP 17 HH2 TRP 17 -10.720 -5.034 -5.696 135 H ARG 18 H ARG 18 -5.198 -3.210 -9.872 136 HA ARG 18 HA ARG 18 -5.731 -5.117 -7.858 137 HB2 ARG 18 2HB ARG 18 -4.769 -5.315 -10.711 138 HB3 ARG 18 3HB ARG 18 -4.935 -6.734 -9.669 139 HG2 ARG 18 2HG ARG 18 -7.341 -6.165 -9.311 140 HG3 ARG 18 3HG ARG 18 -7.161 -4.785 -10.403 141 HD2 ARG 18 2HD ARG 18 -6.606 -6.267 -12.244 142 HD3 ARG 18 3HD ARG 18 -6.666 -7.669 -11.168 143 HE ARG 18 HE ARG 18 -9.162 -6.337 -11.040 144 HH11 ARG 18 1HH1 ARG 18 -7.245 -8.156 -13.356 145 HH12 ARG 18 2HH1 ARG 18 -8.631 -8.780 -14.187 146 HH21 ARG 18 1HH2 ARG 18 -10.928 -7.134 -12.122 147 HH22 ARG 18 2HH2 ARG 18 -10.746 -8.193 -13.480 148 H ALA 19 H ALA 19 -2.676 -3.897 -9.390 149 HA ALA 19 HA ALA 19 -1.039 -5.871 -8.168 150 HB1 ALA 19 3HB ALA 19 -0.410 -3.099 -9.293 151 HB2 ALA 19 1HB ALA 19 0.798 -4.363 -8.882 152 HB3 ALA 19 2HB ALA 19 -0.386 -4.648 -10.202 153 H TYR 20 H TYR 20 -2.251 -2.636 -7.150 154 HA TYR 20 HA TYR 20 -0.368 -2.238 -5.099 155 HB2 TYR 20 2HB TYR 20 -1.789 -0.455 -6.045 156 HB3 TYR 20 3HB TYR 20 -3.244 -1.262 -5.446 157 HD1 TYR 20 HD1 TYR 20 -0.080 0.405 -4.337 158 HD2 TYR 20 HD2 TYR 20 -4.017 -0.895 -3.229 159 HE1 TYR 20 HE1 TYR 20 0.118 1.641 -2.202 160 HE2 TYR 20 HE2 TYR 20 -3.830 0.341 -1.094 161 HH TYR 20 HH TYR 20 -0.971 2.388 -0.394 162 H THR 21 H THR 21 -3.173 -4.383 -5.352 163 HA THR 21 HA THR 21 -3.059 -4.753 -2.436 164 HB THR 21 HB THR 21 -5.442 -5.505 -2.608 165 HG1 THR 21 HG1 THR 21 -5.365 -4.365 -5.278 166 HG21 THR 21 3HG2 THR 21 -4.897 -2.708 -3.717 167 HG22 THR 21 1HG2 THR 21 -6.426 -3.257 -2.952 168 HG23 THR 21 2HG2 THR 21 -4.916 -3.177 -1.983 169 H THR 22 H THR 22 -1.536 -6.116 -4.794 170 HA THR 22 HA THR 22 -2.453 -8.835 -4.321 171 HB THR 22 HB THR 22 -0.121 -7.710 -5.960 172 HG1 THR 22 HG1 THR 22 -2.286 -7.291 -6.798 173 HG21 THR 22 3HG2 THR 22 -1.229 -10.554 -5.755 174 HG22 THR 22 1HG2 THR 22 0.043 -10.000 -6.895 175 HG23 THR 22 2HG2 THR 22 0.355 -9.985 -5.126 176 HA PRO 23 HA PRO 23 0.185 -9.071 -0.753 177 HB2 PRO 23 2HB PRO 23 0.014 -11.865 -0.475 178 HB3 PRO 23 3HB PRO 23 -1.274 -10.778 0.062 179 HG2 PRO 23 2HG PRO 23 -1.046 -12.332 -2.534 180 HG3 PRO 23 3HG PRO 23 -2.453 -12.125 -1.483 181 HD2 PRO 23 2HD PRO 23 -2.226 -10.644 -3.732 182 HD3 PRO 23 3HD PRO 23 -2.878 -9.910 -2.262 183 H GLU 24 H GLU 24 0.781 -11.330 -3.524 184 HA GLU 24 HA GLU 24 3.423 -11.903 -2.776 185 HB2 GLU 24 2HB GLU 24 1.983 -11.805 -5.464 186 HB3 GLU 24 3HB GLU 24 3.658 -12.346 -5.290 187 HG2 GLU 24 2HG GLU 24 2.949 -14.186 -3.805 188 HG3 GLU 24 3HG GLU 24 1.276 -13.615 -3.851 189 H ASP 25 H ASP 25 1.960 -9.107 -4.529 190 HA ASP 25 HA ASP 25 4.509 -8.075 -5.335 191 HB2 ASP 25 2HB ASP 25 1.668 -6.967 -5.241 192 HB3 ASP 25 3HB ASP 25 3.049 -5.998 -5.772 193 H ILE 26 H ILE 26 2.175 -7.444 -2.616 194 HA ILE 26 HA ILE 26 3.378 -5.054 -1.825 195 HB ILE 26 HB ILE 26 1.645 -7.104 -0.372 196 HG12 ILE 26 2HG1 ILE 26 1.032 -4.256 -1.277 197 HG13 ILE 26 3HG1 ILE 26 0.746 -5.675 -2.292 198 HG21 ILE 26 1HG2 ILE 26 1.358 -5.424 1.418 199 HG22 ILE 26 2HG2 ILE 26 3.058 -5.989 1.298 200 HG23 ILE 26 3HG2 ILE 26 2.596 -4.384 0.636 201 HD11 ILE 26 3HD1 ILE 26 -0.497 -5.164 0.447 202 HD12 ILE 26 1HD1 ILE 26 -1.308 -4.980 -1.145 203 HD13 ILE 26 2HD1 ILE 26 -0.788 -6.605 -0.584 204 H LYS 27 H LYS 27 3.943 -8.501 -0.809 205 HA LYS 27 HA LYS 27 5.490 -7.885 1.447 206 HB2 LYS 27 2HB LYS 27 6.089 -10.206 1.420 207 HB3 LYS 27 3HB LYS 27 4.405 -10.090 0.892 208 HG2 LYS 27 2HG LYS 27 5.164 -10.297 -1.495 209 HG3 LYS 27 3HG LYS 27 6.831 -10.475 -0.932 210 HD2 LYS 27 2HD LYS 27 6.110 -12.483 0.433 211 HD3 LYS 27 3HD LYS 27 4.487 -12.329 -0.252 212 HE2 LYS 27 2HE LYS 27 5.465 -12.570 -2.560 213 HE3 LYS 27 3HE LYS 27 7.066 -12.787 -1.841 214 HZ1 LYS 27 3HZ LYS 27 4.740 -14.543 -1.375 215 HZ2 LYS 27 1HZ LYS 27 6.022 -14.887 -2.326 216 HZ3 LYS 27 2HZ LYS 27 6.219 -14.743 -0.711 217 H GLN 28 H GLN 28 6.224 -7.627 -1.984 218 HA GLN 28 HA GLN 28 9.080 -7.951 -1.536 219 HB2 GLN 28 2HB GLN 28 7.359 -7.346 -3.990 220 HB3 GLN 28 3HB GLN 28 9.127 -7.390 -4.032 221 HG2 GLN 28 2HG GLN 28 9.069 -9.766 -3.248 222 HG3 GLN 28 3HG GLN 28 7.302 -9.714 -3.257 223 HE21 GLN 28 1HE2 GLN 28 6.214 -10.059 -5.147 224 HE22 GLN 28 2HE2 GLN 28 6.966 -10.289 -6.691 225 H TRP 29 H TRP 29 6.646 -5.390 -1.592 226 HA TRP 29 HA TRP 29 8.514 -3.394 -2.552 227 HB2 TRP 29 2HB TRP 29 5.629 -3.262 -1.545 228 HB3 TRP 29 3HB TRP 29 6.536 -1.873 -2.159 229 HD1 TRP 29 HD1 TRP 29 7.880 -4.021 -4.522 230 HE1 TRP 29 HE1 TRP 29 6.431 -4.351 -6.638 231 HE3 TRP 29 HE3 TRP 29 3.373 -2.399 -2.666 232 HZ2 TRP 29 HZ2 TRP 29 3.754 -3.982 -7.421 233 HZ3 TRP 29 HZ3 TRP 29 1.388 -2.418 -4.171 234 HH2 TRP 29 HH2 TRP 29 1.568 -3.191 -6.486 235 H ASN 30 H ASN 30 7.884 -4.904 0.471 236 HA ASN 30 HA ASN 30 7.779 -2.926 2.314 237 HB2 ASN 30 2HB ASN 30 7.836 -5.380 2.746 238 HB3 ASN 30 3HB ASN 30 9.576 -5.378 2.430 239 HD21 ASN 30 1HD2 ASN 30 8.338 -6.212 4.807 240 HD22 ASN 30 2HD2 ASN 30 8.951 -5.208 6.079 241 H ALA 31 H ALA 31 9.311 -1.571 3.457 242 HA ALA 31 HA ALA 31 11.322 -0.690 1.524 243 HB1 ALA 31 3HB ALA 31 10.028 0.677 3.933 244 HB2 ALA 31 1HB ALA 31 11.196 1.436 2.799 245 HB3 ALA 31 2HB ALA 31 9.583 0.911 2.209 246 H ALA 32 H ALA 32 11.350 -2.795 4.082 247 HA ALA 32 HA ALA 32 13.564 -1.612 5.537 248 HB1 ALA 32 3HB ALA 32 12.148 -4.315 5.744 249 HB2 ALA 32 1HB ALA 32 13.388 -3.692 6.883 250 HB3 ALA 32 2HB ALA 32 11.806 -2.855 6.733 251 H SER 33 H SER 33 15.263 -3.672 6.134 252 HA SER 33 HA SER 33 16.949 -3.688 3.912 253 HB2 SER 33 2HB SER 33 17.760 -3.942 6.191 254 HB3 SER 33 3HB SER 33 16.817 -5.421 6.418 255 HG SER 33 HG SER 33 19.122 -5.714 5.903 256 H ASP 34 H ASP 34 17.209 -5.031 2.151 257 HA ASP 34 HA ASP 34 15.326 -7.145 1.721 258 HB2 ASP 34 2HB ASP 34 17.812 -6.153 0.256 259 HB3 ASP 34 3HB ASP 34 16.875 -7.548 -0.294 260 H ASP 35 H ASP 35 18.053 -6.966 3.734 261 HA ASP 35 HA ASP 35 18.973 -9.665 2.987 262 HB2 ASP 35 2HB ASP 35 20.379 -7.411 4.502 263 HB3 ASP 35 3HB ASP 35 21.067 -9.006 4.171 264 H TRP 36 H TRP 36 18.256 -7.494 5.846 265 HA TRP 36 HA TRP 36 18.324 -9.937 7.500 266 HB2 TRP 36 2HB TRP 36 18.888 -7.001 8.145 267 HB3 TRP 36 3HB TRP 36 18.734 -8.263 9.374 268 HD1 TRP 36 HD1 TRP 36 21.187 -6.814 6.858 269 HE1 TRP 36 HE1 TRP 36 23.456 -8.038 7.056 270 HE3 TRP 36 HE3 TRP 36 19.745 -10.690 9.908 271 HZ2 TRP 36 HZ2 TRP 36 24.499 -10.326 8.320 272 HZ3 TRP 36 HZ3 TRP 36 21.450 -12.374 10.580 273 HH2 TRP 36 HH2 TRP 36 23.767 -12.202 9.808 274 H HIS 37 H HIS 37 15.990 -8.675 5.855 275 HA HIS 37 HA HIS 37 14.149 -8.946 8.116 276 HB2 HIS 37 2HB HIS 37 14.406 -6.502 7.639 277 HB3 HIS 37 3HB HIS 37 13.944 -6.789 5.956 278 HD2 HIS 37 HD2 HIS 37 11.227 -6.728 5.496 279 HE1 HIS 37 HE1 HIS 37 9.977 -6.863 9.589 280 H THR 38 H THR 38 12.567 -10.446 7.668 281 HA THR 38 HA THR 38 12.243 -11.159 4.841 282 HB THR 38 HB THR 38 11.623 -12.728 7.399 283 HG1 THR 38 HG1 THR 38 13.356 -14.093 6.547 284 HG21 THR 38 3HG2 THR 38 11.348 -13.523 4.458 285 HG22 THR 38 1HG2 THR 38 11.115 -14.610 5.869 286 HG23 THR 38 2HG2 THR 38 10.000 -13.227 5.607 287 H THR 39 H THR 39 10.187 -11.055 3.866 288 HA THR 39 HA THR 39 8.031 -10.117 5.627 289 HB THR 39 HB THR 39 8.696 -9.092 2.817 290 HG1 THR 39 HG1 THR 39 9.661 -7.422 3.815 291 HG21 THR 39 3HG2 THR 39 6.546 -8.256 4.824 292 HG22 THR 39 1HG2 THR 39 6.890 -7.454 3.255 293 HG23 THR 39 2HG2 THR 39 6.274 -9.140 3.285 294 H ALA 40 H ALA 40 6.020 -11.126 5.287 295 HA ALA 40 HA ALA 40 5.508 -12.158 2.604 296 HB1 ALA 40 3HB ALA 40 5.136 -13.772 5.176 297 HB2 ALA 40 1HB ALA 40 4.549 -14.247 3.546 298 HB3 ALA 40 2HB ALA 40 6.312 -14.117 3.863 299 H ALA 41 H ALA 41 3.307 -12.026 1.986 300 HA ALA 41 HA ALA 41 1.516 -10.874 4.019 301 HB1 ALA 41 3HB ALA 41 1.988 -9.857 1.174 302 HB2 ALA 41 1HB ALA 41 0.718 -9.269 2.299 303 HB3 ALA 41 2HB ALA 41 2.453 -9.021 2.694 304 H THR 42 H THR 42 -0.672 -11.507 3.852 305 HA THR 42 HA THR 42 -1.395 -12.840 1.346 306 HB THR 42 HB THR 42 -2.201 -13.726 4.168 307 HG1 THR 42 HG1 THR 42 -1.045 -15.679 3.508 308 HG21 THR 42 3HG2 THR 42 -2.958 -14.836 1.420 309 HG22 THR 42 1HG2 THR 42 -3.388 -15.565 3.004 310 HG23 THR 42 2HG2 THR 42 -4.048 -13.959 2.546 311 H VAL 43 H VAL 43 -3.307 -12.049 0.446 312 HA VAL 43 HA VAL 43 -4.878 -10.275 2.178 313 HB VAL 43 HB VAL 43 -3.886 -9.707 -0.662 314 HG11 VAL 43 1HG1 VAL 43 -5.075 -7.549 -0.430 315 HG12 VAL 43 2HG1 VAL 43 -6.203 -8.944 -0.360 316 HG13 VAL 43 3HG1 VAL 43 -5.738 -8.089 1.149 317 HG21 VAL 43 3HG2 VAL 43 -2.183 -9.330 1.071 318 HG22 VAL 43 1HG2 VAL 43 -2.761 -7.770 0.394 319 HG23 VAL 43 2HG2 VAL 43 -3.338 -8.319 2.003 320 H ASP 44 H ASP 44 -7.081 -10.743 2.074 321 HA ASP 44 HA ASP 44 -8.078 -12.083 -0.330 322 HB2 ASP 44 2HB ASP 44 -8.795 -12.891 1.905 323 HB3 ASP 44 3HB ASP 44 -9.420 -11.285 2.298 324 H LEU 45 H LEU 45 -8.625 -10.785 -2.054 325 HA LEU 45 HA LEU 45 -8.799 -7.936 -1.532 326 HB2 LEU 45 2HB LEU 45 -7.365 -8.865 -3.337 327 HB3 LEU 45 3HB LEU 45 -8.785 -9.586 -4.107 328 HG LEU 45 HG LEU 45 -9.718 -7.358 -4.590 329 HD11 LEU 45 1HD1 LEU 45 -8.437 -5.316 -4.064 330 HD12 LEU 45 2HD1 LEU 45 -8.911 -6.199 -2.574 331 HD13 LEU 45 3HD1 LEU 45 -7.223 -6.302 -3.181 332 HD21 LEU 45 3HD2 LEU 45 -8.136 -8.369 -6.189 333 HD22 LEU 45 1HD2 LEU 45 -7.981 -6.580 -6.167 334 HD23 LEU 45 2HD2 LEU 45 -6.762 -7.598 -5.327 335 H ARG 46 H ARG 46 -10.855 -7.528 -0.594 336 HA ARG 46 HA ARG 46 -12.924 -7.206 -2.476 337 HB2 ARG 46 2HB ARG 46 -14.614 -8.671 -1.588 338 HB3 ARG 46 3HB ARG 46 -13.251 -9.590 -2.240 339 HG2 ARG 46 2HG ARG 46 -12.385 -9.884 0.100 340 HG3 ARG 46 3HG ARG 46 -13.823 -9.054 0.707 341 HD2 ARG 46 2HD ARG 46 -15.263 -10.772 -0.118 342 HD3 ARG 46 3HD ARG 46 -13.937 -11.543 -1.000 343 HE ARG 46 HE ARG 46 -13.170 -12.494 0.984 344 HH11 ARG 46 1HH1 ARG 46 -15.742 -10.212 1.710 345 HH12 ARG 46 2HH1 ARG 46 -15.971 -10.807 3.321 346 HH21 ARG 46 1HH2 ARG 46 -13.468 -13.238 3.053 347 HH22 ARG 46 2HH2 ARG 46 -14.666 -12.543 4.093 348 H GLU 47 H GLU 47 -14.795 -6.036 -1.533 349 HA GLU 47 HA GLU 47 -14.109 -4.365 0.632 350 HB2 GLU 47 2HB GLU 47 -15.723 -3.840 -1.223 351 HB3 GLU 47 3HB GLU 47 -16.848 -5.028 -0.552 352 HG2 GLU 47 2HG GLU 47 -17.154 -3.723 1.471 353 HG3 GLU 47 3HG GLU 47 -15.829 -2.632 1.044 354 H GLY 48 H GLY 48 -14.191 -4.717 2.829 355 HA2 GLY 48 2HA GLY 48 -14.959 -5.654 4.781 356 HA3 GLY 48 3HA GLY 48 -15.996 -6.756 3.865 357 H GLY 49 H GLY 49 -13.193 -7.107 2.162 358 HA2 GLY 49 2HA GLY 49 -12.683 -9.647 3.299 359 HA3 GLY 49 3HA GLY 49 -11.759 -8.828 2.033 360 H ALA 50 H ALA 50 -10.782 -10.444 4.392 361 HA ALA 50 HA ALA 50 -9.447 -8.346 5.954 362 HB1 ALA 50 3HB ALA 50 -9.678 -11.370 6.344 363 HB2 ALA 50 1HB ALA 50 -8.840 -10.232 7.451 364 HB3 ALA 50 2HB ALA 50 -10.616 -10.109 7.214 365 H PHE 51 H PHE 51 -7.109 -8.401 6.270 366 HA PHE 51 HA PHE 51 -5.637 -10.272 4.586 367 HB2 PHE 51 2HB PHE 51 -4.254 -8.458 3.639 368 HB3 PHE 51 3HB PHE 51 -5.941 -8.329 3.123 369 HD1 PHE 51 HD1 PHE 51 -7.375 -6.515 3.936 370 HD2 PHE 51 HD2 PHE 51 -3.265 -6.818 5.151 371 HE1 PHE 51 HE1 PHE 51 -7.444 -4.178 4.754 372 HE2 PHE 51 HE2 PHE 51 -3.338 -4.483 5.975 373 HZ PHE 51 HZ PHE 51 -5.425 -3.160 5.779 374 H SER 52 H SER 52 -3.232 -10.216 5.131 375 HA SER 52 HA SER 52 -2.635 -9.086 7.744 376 HB2 SER 52 2HB SER 52 -3.765 -11.188 8.314 377 HB3 SER 52 3HB SER 52 -2.741 -12.084 7.184 378 HG SER 52 HG SER 52 -1.549 -10.505 9.250 379 H SER 53 H SER 53 -0.379 -8.888 8.122 380 HA SER 53 HA SER 53 1.339 -9.935 5.963 381 HB2 SER 53 2HB SER 53 0.936 -7.534 5.603 382 HB3 SER 53 3HB SER 53 1.395 -7.180 7.274 383 HG SER 53 HG SER 53 3.021 -7.035 5.360 384 H ARG 54 H ARG 54 3.002 -11.178 6.717 385 HA ARG 54 HA ARG 54 3.605 -10.945 9.582 386 HB2 ARG 54 2HB ARG 54 2.838 -13.134 8.877 387 HB3 ARG 54 3HB ARG 54 4.097 -13.213 7.637 388 HG2 ARG 54 2HG ARG 54 5.847 -13.198 9.364 389 HG3 ARG 54 3HG ARG 54 4.629 -13.013 10.632 390 HD2 ARG 54 2HD ARG 54 3.678 -15.184 10.070 391 HD3 ARG 54 3HD ARG 54 4.839 -15.369 8.748 392 HE ARG 54 HE ARG 54 6.251 -14.942 11.180 393 HH11 ARG 54 1HH1 ARG 54 4.275 -17.390 9.615 394 HH12 ARG 54 2HH1 ARG 54 5.076 -18.706 10.406 395 HH21 ARG 54 1HH2 ARG 54 7.260 -16.637 12.195 396 HH22 ARG 54 2HH2 ARG 54 6.789 -18.275 11.888 397 H MET 55 H MET 55 5.385 -9.748 10.094 398 HA MET 55 HA MET 55 7.638 -9.856 8.184 399 HB2 MET 55 2HB MET 55 6.664 -7.553 9.940 400 HB3 MET 55 3HB MET 55 8.178 -7.552 9.026 401 HG2 MET 55 2HG MET 55 6.891 -7.785 6.901 402 HG3 MET 55 3HG MET 55 5.379 -7.775 7.819 403 HE1 MET 55 3HE MET 55 4.306 -5.666 6.585 404 HE2 MET 55 1HE MET 55 5.295 -4.241 6.119 405 HE3 MET 55 2HE MET 55 5.707 -5.868 5.480 406 H GLU 56 H GLU 56 9.627 -10.445 9.023 407 HA GLU 56 HA GLU 56 9.945 -10.340 11.933 408 HB2 GLU 56 2HB GLU 56 10.400 -12.805 10.183 409 HB3 GLU 56 3HB GLU 56 10.940 -12.645 11.859 410 HG2 GLU 56 2HG GLU 56 8.548 -12.361 12.576 411 HG3 GLU 56 3HG GLU 56 8.036 -12.593 10.900 412 H ALA 57 H ALA 57 12.186 -10.227 12.620 413 HA ALA 57 HA ALA 57 13.974 -9.238 10.579 414 HB1 ALA 57 3HB ALA 57 14.324 -9.762 13.571 415 HB2 ALA 57 1HB ALA 57 15.501 -8.917 12.510 416 HB3 ALA 57 2HB ALA 57 13.884 -8.197 12.808 417 H LYS 58 H LYS 58 15.752 -10.281 9.681 418 HA LYS 58 HA LYS 58 15.703 -13.066 9.557 419 HB2 LYS 58 2HB LYS 58 16.684 -11.547 7.851 420 HB3 LYS 58 3HB LYS 58 17.972 -11.103 8.978 421 HG2 LYS 58 2HG LYS 58 18.896 -12.725 7.476 422 HG3 LYS 58 3HG LYS 58 18.678 -13.543 9.028 423 HD2 LYS 58 2HD LYS 58 16.579 -14.577 8.242 424 HD3 LYS 58 3HD LYS 58 16.660 -13.671 6.726 425 HE2 LYS 58 2HE LYS 58 18.825 -14.808 6.169 426 HE3 LYS 58 3HE LYS 58 18.728 -15.723 7.680 427 HZ1 LYS 58 3HZ LYS 58 16.759 -15.850 5.485 428 HZ2 LYS 58 1HZ LYS 58 17.884 -16.983 5.827 429 HZ3 LYS 58 2HZ LYS 58 16.670 -16.695 6.879 430 H ASP 59 H ASP 59 17.325 -10.850 11.857 431 HA ASP 59 HA ASP 59 19.177 -12.886 12.730 432 HB2 ASP 59 2HB ASP 59 19.964 -11.197 14.257 433 HB3 ASP 59 3HB ASP 59 19.715 -10.440 12.678 434 H GLY 60 H GLY 60 15.823 -12.356 13.248 435 HA2 GLY 60 2HA GLY 60 14.488 -13.745 14.417 436 HA3 GLY 60 3HA GLY 60 15.919 -14.574 15.043 437 H SER 61 H SER 61 15.916 -11.084 15.521 438 HA SER 61 HA SER 61 15.829 -11.554 18.376 439 HB2 SER 61 2HB SER 61 16.531 -9.239 18.517 440 HB3 SER 61 3HB SER 61 17.498 -10.060 17.285 441 HG SER 61 HG SER 61 16.373 -9.042 15.664 442 H MET 62 H MET 62 13.663 -10.292 15.818 443 HA MET 62 HA MET 62 11.537 -10.014 17.749 444 HB2 MET 62 2HB MET 62 11.115 -7.651 17.282 445 HB3 MET 62 3HB MET 62 12.704 -7.863 18.029 446 HG2 MET 62 2HG MET 62 13.719 -7.757 15.691 447 HG3 MET 62 3HG MET 62 12.115 -7.326 15.083 448 HE1 MET 62 3HE MET 62 15.310 -5.137 17.139 449 HE2 MET 62 1HE MET 62 14.157 -5.323 18.504 450 HE3 MET 62 2HE MET 62 14.728 -6.771 17.607 451 H GLY 63 H GLY 63 9.412 -9.566 16.645 452 HA2 GLY 63 2HA GLY 63 9.438 -9.138 13.810 453 HA3 GLY 63 3HA GLY 63 8.966 -10.790 14.232 454 H PHE 64 H PHE 64 7.156 -8.993 12.930 455 HA PHE 64 HA PHE 64 5.253 -8.422 15.103 456 HB2 PHE 64 2HB PHE 64 5.970 -6.615 12.743 457 HB3 PHE 64 3HB PHE 64 4.633 -6.339 13.866 458 HD1 PHE 64 HD1 PHE 64 5.069 -5.699 16.212 459 HD2 PHE 64 HD2 PHE 64 8.270 -6.200 13.392 460 HE1 PHE 64 HE1 PHE 64 6.595 -4.478 17.729 461 HE2 PHE 64 HE2 PHE 64 9.797 -4.979 14.912 462 HZ PHE 64 HZ PHE 64 8.964 -4.115 17.081 463 H ASP 65 H ASP 65 3.096 -8.933 14.636 464 HA ASP 65 HA ASP 65 2.598 -9.898 11.895 465 HB2 ASP 65 2HB ASP 65 2.349 -11.585 13.716 466 HB3 ASP 65 3HB ASP 65 1.181 -10.536 14.530 467 H PHE 66 H PHE 66 1.238 -8.696 10.622 468 HA PHE 66 HA PHE 66 -0.274 -6.573 12.008 469 HB2 PHE 66 2HB PHE 66 0.853 -6.677 9.167 470 HB3 PHE 66 3HB PHE 66 -0.073 -5.339 9.860 471 HD1 PHE 66 HD1 PHE 66 0.894 -4.019 11.777 472 HD2 PHE 66 HD2 PHE 66 3.189 -6.924 9.596 473 HE1 PHE 66 HE1 PHE 66 2.986 -3.016 12.640 474 HE2 PHE 66 HE2 PHE 66 5.280 -5.921 10.464 475 HZ PHE 66 HZ PHE 66 5.184 -3.966 11.984 476 H ALA 67 H ALA 67 -2.470 -6.250 11.500 477 HA ALA 67 HA ALA 67 -3.604 -8.020 9.450 478 HB1 ALA 67 3HB ALA 67 -4.618 -7.690 12.316 479 HB2 ALA 67 1HB ALA 67 -5.468 -8.564 10.997 480 HB3 ALA 67 2HB ALA 67 -3.892 -9.172 11.607 481 H GLY 68 H GLY 68 -5.581 -7.219 8.477 482 HA2 GLY 68 2HA GLY 68 -6.763 -4.814 9.548 483 HA3 GLY 68 3HA GLY 68 -5.857 -4.556 8.051 484 H THR 69 H THR 69 -8.599 -4.038 8.029 485 HA THR 69 HA THR 69 -9.436 -6.167 6.204 486 HB THR 69 HB THR 69 -11.777 -5.929 6.993 487 HG1 THR 69 HG1 THR 69 -12.115 -4.781 9.034 488 HG21 THR 69 3HG2 THR 69 -9.797 -6.600 9.226 489 HG22 THR 69 1HG2 THR 69 -11.521 -7.100 9.162 490 HG23 THR 69 2HG2 THR 69 -10.361 -7.717 7.937 491 H TYR 70 H TYR 70 -10.835 -5.411 4.442 492 HA TYR 70 HA TYR 70 -10.493 -2.588 3.867 493 HB2 TYR 70 2HB TYR 70 -11.794 -4.898 2.337 494 HB3 TYR 70 3HB TYR 70 -11.612 -3.254 1.711 495 HD1 TYR 70 HD1 TYR 70 -9.138 -2.297 1.710 496 HD2 TYR 70 HD2 TYR 70 -10.112 -6.475 1.919 497 HE1 TYR 70 HE1 TYR 70 -6.878 -2.864 0.870 498 HE2 TYR 70 HE2 TYR 70 -7.852 -7.046 1.087 499 HH TYR 70 HH TYR 70 -5.507 -5.861 1.148 500 H THR 71 H THR 71 -12.189 -1.051 3.628 501 HA THR 71 HA THR 71 -14.601 -1.877 5.077 502 HB THR 71 HB THR 71 -14.842 0.506 5.677 503 HG1 THR 71 HG1 THR 71 -13.156 1.997 5.067 504 HG21 THR 71 3HG2 THR 71 -12.024 -0.562 6.197 505 HG22 THR 71 1HG2 THR 71 -12.851 0.727 7.135 506 HG23 THR 71 2HG2 THR 71 -13.498 -0.948 7.148 507 H LYS 72 H LYS 72 -13.340 -0.468 2.042 508 HA LYS 72 HA LYS 72 -15.948 -0.435 0.863 509 HB2 LYS 72 2HB LYS 72 -15.906 1.669 2.296 510 HB3 LYS 72 3HB LYS 72 -14.546 2.239 1.320 511 HG2 LYS 72 2HG LYS 72 -15.929 2.273 -0.700 512 HG3 LYS 72 3HG LYS 72 -17.278 1.513 0.156 513 HD2 LYS 72 2HD LYS 72 -17.317 3.508 1.737 514 HD3 LYS 72 3HD LYS 72 -16.082 4.274 0.730 515 HE2 LYS 72 2HE LYS 72 -17.601 4.160 -1.243 516 HE3 LYS 72 3HE LYS 72 -18.832 3.357 -0.260 517 HZ1 LYS 72 3HZ LYS 72 -17.780 6.072 0.217 518 HZ2 LYS 72 1HZ LYS 72 -19.234 5.710 -0.431 519 HZ3 LYS 72 2HZ LYS 72 -18.917 5.331 1.125 520 H VAL 73 H VAL 73 -15.768 -0.569 -1.387 521 HA VAL 73 HA VAL 73 -13.279 0.434 -2.545 522 HB VAL 73 HB VAL 73 -14.536 -2.293 -3.141 523 HG11 VAL 73 1HG1 VAL 73 -12.661 -2.572 -4.732 524 HG12 VAL 73 2HG1 VAL 73 -13.726 -1.199 -5.187 525 HG13 VAL 73 3HG1 VAL 73 -12.140 -0.884 -4.406 526 HG21 VAL 73 3HG2 VAL 73 -13.210 -2.272 -1.072 527 HG22 VAL 73 1HG2 VAL 73 -12.364 -3.189 -2.364 528 HG23 VAL 73 2HG2 VAL 73 -11.832 -1.525 -1.948 529 H VAL 74 H VAL 74 -13.695 1.737 -4.319 530 HA VAL 74 HA VAL 74 -16.348 1.438 -5.544 531 HB VAL 74 HB VAL 74 -14.913 4.034 -4.783 532 HG11 VAL 74 1HG1 VAL 74 -16.924 5.165 -5.680 533 HG12 VAL 74 2HG1 VAL 74 -16.055 4.238 -6.950 534 HG13 VAL 74 3HG1 VAL 74 -17.564 3.580 -6.231 535 HG21 VAL 74 3HG2 VAL 74 -15.987 2.921 -2.874 536 HG22 VAL 74 1HG2 VAL 74 -16.884 4.408 -3.335 537 HG23 VAL 74 2HG2 VAL 74 -17.523 2.794 -3.796 538 H GLU 75 H GLU 75 -16.226 1.167 -7.760 539 HA GLU 75 HA GLU 75 -15.408 1.168 -9.832 540 HB2 GLU 75 2HB GLU 75 -14.550 3.961 -8.934 541 HB3 GLU 75 3HB GLU 75 -14.568 3.411 -10.615 542 HG2 GLU 75 2HG GLU 75 -17.032 3.035 -10.466 543 HG3 GLU 75 3HG GLU 75 -17.014 3.584 -8.785 544 H ASN 76 H ASN 76 -13.592 -0.069 -7.888 545 HA ASN 76 HA ASN 76 -11.462 -0.493 -7.416 546 HB2 ASN 76 2HB ASN 76 -11.138 -0.091 -10.415 547 HB3 ASN 76 3HB ASN 76 -10.048 -0.992 -9.353 548 HD21 ASN 76 1HD2 ASN 76 -12.463 -1.279 -11.534 549 HD22 ASN 76 2HD2 ASN 76 -13.019 -2.869 -11.129 550 H LYS 77 H LYS 77 -11.856 2.176 -6.680 551 HA LYS 77 HA LYS 77 -9.751 3.703 -8.032 552 HB2 LYS 77 2HB LYS 77 -11.871 3.999 -9.322 553 HB3 LYS 77 3HB LYS 77 -12.688 4.532 -7.847 554 HG2 LYS 77 2HG LYS 77 -11.199 6.498 -7.692 555 HG3 LYS 77 3HG LYS 77 -10.287 5.949 -9.105 556 HD2 LYS 77 2HD LYS 77 -12.304 6.150 -10.530 557 HD3 LYS 77 3HD LYS 77 -13.284 6.594 -9.126 558 HE2 LYS 77 2HE LYS 77 -12.690 8.629 -10.316 559 HE3 LYS 77 3HE LYS 77 -11.824 8.614 -8.774 560 HZ1 LYS 77 3HZ LYS 77 -10.636 7.737 -11.327 561 HZ2 LYS 77 1HZ LYS 77 -10.445 9.228 -10.688 562 HZ3 LYS 77 2HZ LYS 77 -9.859 7.922 -9.903 563 H ARG 78 H ARG 78 -12.045 3.202 -5.316 564 HA ARG 78 HA ARG 78 -10.210 4.806 -3.701 565 HB2 ARG 78 2HB ARG 78 -11.954 6.359 -4.140 566 HB3 ARG 78 3HB ARG 78 -13.208 5.163 -3.789 567 HG2 ARG 78 2HG ARG 78 -12.374 5.067 -1.412 568 HG3 ARG 78 3HG ARG 78 -11.242 6.370 -1.798 569 HD2 ARG 78 2HD ARG 78 -14.240 6.578 -2.111 570 HD3 ARG 78 3HD ARG 78 -13.359 7.046 -0.652 571 HE ARG 78 HE ARG 78 -12.088 8.524 -2.510 572 HH11 ARG 78 1HH1 ARG 78 -15.528 7.993 -2.023 573 HH12 ARG 78 2HH1 ARG 78 -15.969 9.567 -2.596 574 HH21 ARG 78 1HH2 ARG 78 -12.668 10.530 -3.254 575 HH22 ARG 78 2HH2 ARG 78 -14.327 11.025 -3.304 576 H ILE 79 H ILE 79 -9.644 3.775 -1.798 577 HA ILE 79 HA ILE 79 -11.269 1.515 -0.962 578 HB ILE 79 HB ILE 79 -9.761 0.602 -2.722 579 HG12 ILE 79 2HG1 ILE 79 -8.815 -0.269 0.044 580 HG13 ILE 79 3HG1 ILE 79 -10.422 -0.657 -0.587 581 HG21 ILE 79 1HG2 ILE 79 -7.317 0.563 -2.343 582 HG22 ILE 79 2HG2 ILE 79 -7.938 2.238 -2.528 583 HG23 ILE 79 3HG2 ILE 79 -7.528 1.607 -0.897 584 HD11 ILE 79 3HD1 ILE 79 -7.766 -1.457 -1.861 585 HD12 ILE 79 1HD1 ILE 79 -8.865 -2.525 -0.923 586 HD13 ILE 79 2HD1 ILE 79 -9.397 -1.851 -2.501 587 H GLU 80 H GLU 80 -11.238 1.342 1.272 588 HA GLU 80 HA GLU 80 -9.025 2.732 2.649 589 HB2 GLU 80 2HB GLU 80 -11.167 3.977 2.789 590 HB3 GLU 80 3HB GLU 80 -11.980 2.535 3.412 591 HG2 GLU 80 2HG GLU 80 -10.456 2.578 5.416 592 HG3 GLU 80 3HG GLU 80 -9.721 4.064 4.799 593 H TYR 81 H TYR 81 -8.044 1.648 4.381 594 HA TYR 81 HA TYR 81 -9.223 -0.844 5.299 595 HB2 TYR 81 2HB TYR 81 -7.191 -2.143 4.752 596 HB3 TYR 81 3HB TYR 81 -8.023 -1.578 3.298 597 HD1 TYR 81 HD1 TYR 81 -5.019 -1.161 5.422 598 HD2 TYR 81 HD2 TYR 81 -7.003 0.074 1.824 599 HE1 TYR 81 HE1 TYR 81 -2.916 -0.121 4.627 600 HE2 TYR 81 HE2 TYR 81 -4.904 1.113 1.019 601 HH TYR 81 HH TYR 81 -2.639 1.181 1.332 602 H ALA 82 H ALA 82 -7.785 -1.832 7.091 603 HA ALA 82 HA ALA 82 -6.422 0.374 8.506 604 HB1 ALA 82 3HB ALA 82 -8.038 -1.979 9.603 605 HB2 ALA 82 1HB ALA 82 -7.158 -0.762 10.588 606 HB3 ALA 82 2HB ALA 82 -8.551 -0.258 9.572 607 H PHE 83 H PHE 83 -4.379 -0.015 9.378 608 HA PHE 83 HA PHE 83 -3.318 -2.725 8.884 609 HB2 PHE 83 2HB PHE 83 -2.503 -0.921 7.295 610 HB3 PHE 83 3HB PHE 83 -1.829 -0.064 8.688 611 HD1 PHE 83 HD1 PHE 83 -1.699 -3.357 6.896 612 HD2 PHE 83 HD2 PHE 83 0.320 -0.578 9.476 613 HE1 PHE 83 HE1 PHE 83 0.373 -4.700 6.722 614 HE2 PHE 83 HE2 PHE 83 2.392 -1.920 9.298 615 HZ PHE 83 HZ PHE 83 2.420 -3.985 7.923 616 H GLY 84 H GLY 84 -3.315 -3.642 10.947 617 HA2 GLY 84 2HA GLY 84 -2.674 -3.942 13.080 618 HA3 GLY 84 3HA GLY 84 -1.565 -2.574 12.915 619 H ASP 85 H ASP 85 -1.953 -1.096 14.537 620 HA ASP 85 HA ASP 85 -4.719 -0.670 15.378 621 HB2 ASP 85 2HB ASP 85 -3.703 0.633 17.192 622 HB3 ASP 85 3HB ASP 85 -3.007 -0.991 17.109 623 H ARG 86 H ARG 86 -3.173 0.324 12.725 624 HA ARG 86 HA ARG 86 -4.048 3.117 13.060 625 HB2 ARG 86 2HB ARG 86 -1.628 2.028 11.616 626 HB3 ARG 86 3HB ARG 86 -2.325 3.612 11.249 627 HG2 ARG 86 2HG ARG 86 -2.003 4.290 13.626 628 HG3 ARG 86 3HG ARG 86 -1.275 2.714 13.967 629 HD2 ARG 86 2HD ARG 86 -0.199 4.607 11.876 630 HD3 ARG 86 3HD ARG 86 0.279 4.677 13.577 631 HE ARG 86 HE ARG 86 1.293 2.495 13.339 632 HH11 ARG 86 1HH1 ARG 86 0.209 3.904 10.305 633 HH12 ARG 86 2HH1 ARG 86 1.283 2.944 9.344 634 HH21 ARG 86 1HH2 ARG 86 2.653 1.264 12.093 635 HH22 ARG 86 2HH2 ARG 86 2.686 1.427 10.369 636 H THR 87 H THR 87 -4.439 4.152 10.739 637 HA THR 87 HA THR 87 -5.838 2.136 9.131 638 HB THR 87 HB THR 87 -7.704 3.741 8.823 639 HG1 THR 87 HG1 THR 87 -7.757 5.629 10.242 640 HG21 THR 87 3HG2 THR 87 -7.054 3.196 11.762 641 HG22 THR 87 1HG2 THR 87 -8.676 3.587 11.098 642 HG23 THR 87 2HG2 THR 87 -7.857 2.060 10.625 643 H ALA 88 H ALA 88 -6.245 2.852 6.842 644 HA ALA 88 HA ALA 88 -4.869 5.279 6.015 645 HB1 ALA 88 3HB ALA 88 -4.139 2.501 4.965 646 HB2 ALA 88 1HB ALA 88 -3.580 4.062 4.275 647 HB3 ALA 88 2HB ALA 88 -3.084 3.584 5.934 648 H LYS 89 H LYS 89 -5.557 6.031 3.902 649 HA LYS 89 HA LYS 89 -7.686 4.424 2.667 650 HB2 LYS 89 2HB LYS 89 -8.691 6.174 4.162 651 HB3 LYS 89 3HB LYS 89 -7.820 7.420 3.258 652 HG2 LYS 89 2HG LYS 89 -9.062 6.860 1.205 653 HG3 LYS 89 3HG LYS 89 -9.865 5.512 2.021 654 HD2 LYS 89 2HD LYS 89 -10.913 7.103 3.637 655 HD3 LYS 89 3HD LYS 89 -10.095 8.456 2.845 656 HE2 LYS 89 2HE LYS 89 -11.285 7.970 0.722 657 HE3 LYS 89 3HE LYS 89 -12.057 6.558 1.454 658 HZ1 LYS 89 3HZ LYS 89 -12.421 9.347 2.345 659 HZ2 LYS 89 1HZ LYS 89 -13.498 8.469 1.488 660 HZ3 LYS 89 2HZ LYS 89 -13.133 8.043 3.021 661 H VAL 90 H VAL 90 -7.538 4.343 0.430 662 HA VAL 90 HA VAL 90 -5.401 6.020 -0.697 663 HB VAL 90 HB VAL 90 -6.135 3.134 -1.409 664 HG11 VAL 90 1HG1 VAL 90 -4.099 3.214 -2.811 665 HG12 VAL 90 2HG1 VAL 90 -5.324 4.417 -3.340 666 HG13 VAL 90 3HG1 VAL 90 -3.890 4.950 -2.400 667 HG21 VAL 90 3HG2 VAL 90 -5.031 3.289 0.782 668 HG22 VAL 90 1HG2 VAL 90 -3.930 2.565 -0.439 669 HG23 VAL 90 2HG2 VAL 90 -3.715 4.277 0.063 670 H GLU 91 H GLU 91 -5.824 7.043 -2.689 671 HA GLU 91 HA GLU 91 -8.306 6.221 -4.053 672 HB2 GLU 91 2HB GLU 91 -7.182 9.028 -3.613 673 HB3 GLU 91 3HB GLU 91 -8.480 8.648 -4.752 674 HG2 GLU 91 2HG GLU 91 -9.842 7.749 -2.817 675 HG3 GLU 91 3HG GLU 91 -8.564 8.283 -1.718 676 H PHE 92 H PHE 92 -8.236 6.218 -6.364 677 HA PHE 92 HA PHE 92 -5.522 6.602 -7.466 678 HB2 PHE 92 2HB PHE 92 -7.706 4.623 -8.283 679 HB3 PHE 92 3HB PHE 92 -6.169 4.851 -9.126 680 HD1 PHE 92 HD1 PHE 92 -7.681 3.785 -5.883 681 HD2 PHE 92 HD2 PHE 92 -4.186 3.778 -8.380 682 HE1 PHE 92 HE1 PHE 92 -6.614 2.124 -4.388 683 HE2 PHE 92 HE2 PHE 92 -3.122 2.116 -6.887 684 HZ PHE 92 HZ PHE 92 -4.333 1.289 -4.885 685 H LEU 93 H LEU 93 -5.334 8.104 -9.091 686 HA LEU 93 HA LEU 93 -7.874 9.106 -10.221 687 HB2 LEU 93 2HB LEU 93 -5.288 10.632 -9.650 688 HB3 LEU 93 3HB LEU 93 -6.779 11.308 -10.321 689 HG LEU 93 HG LEU 93 -6.521 10.103 -7.514 690 HD11 LEU 93 1HD1 LEU 93 -6.670 12.441 -6.747 691 HD12 LEU 93 2HD1 LEU 93 -5.214 12.172 -7.764 692 HD13 LEU 93 3HD1 LEU 93 -6.649 13.005 -8.452 693 HD21 LEU 93 3HD2 LEU 93 -8.779 9.907 -8.496 694 HD22 LEU 93 1HD2 LEU 93 -8.748 11.127 -7.178 695 HD23 LEU 93 2HD2 LEU 93 -8.763 11.658 -8.894 696 H GLU 94 H GLU 94 -8.075 8.985 -12.422 697 HA GLU 94 HA GLU 94 -5.850 7.990 -13.950 698 HB2 GLU 94 2HB GLU 94 -8.222 7.295 -14.322 699 HB3 GLU 94 3HB GLU 94 -8.633 8.954 -14.777 700 HG2 GLU 94 2HG GLU 94 -7.066 8.816 -16.711 701 HG3 GLU 94 3HG GLU 94 -6.641 7.161 -16.253 702 H ALA 95 H ALA 95 -4.231 9.278 -14.727 703 HA ALA 95 HA ALA 95 -4.945 12.045 -15.441 704 HB1 ALA 95 3HB ALA 95 -2.244 10.696 -14.960 705 HB2 ALA 95 1HB ALA 95 -2.492 12.418 -15.403 706 HB3 ALA 95 2HB ALA 95 -3.100 11.799 -13.831 707 HA PRO 96 HA PRO 96 -4.438 11.243 -19.763 708 HB2 PRO 96 2HB PRO 96 -3.076 13.551 -20.552 709 HB3 PRO 96 3HB PRO 96 -4.799 13.578 -20.156 710 HG2 PRO 96 2HG PRO 96 -2.427 14.309 -18.405 711 HG3 PRO 96 3HG PRO 96 -3.955 15.173 -18.619 712 HD2 PRO 96 2HD PRO 96 -3.570 13.599 -16.446 713 HD3 PRO 96 3HD PRO 96 -5.159 13.672 -17.219 714 H GLN 97 H GLN 97 -1.555 11.887 -17.779 715 HA GLN 97 HA GLN 97 0.069 10.768 -19.961 716 HB2 GLN 97 2HB GLN 97 0.811 12.317 -17.428 717 HB3 GLN 97 3HB GLN 97 1.980 11.656 -18.579 718 HG2 GLN 97 2HG GLN 97 1.024 13.093 -20.376 719 HG3 GLN 97 3HG GLN 97 -0.143 13.756 -19.224 720 HE21 GLN 97 1HE2 GLN 97 0.990 15.779 -20.043 721 HE22 GLN 97 2HE2 GLN 97 2.376 16.323 -19.160 722 H GLY 98 H GLY 98 -1.563 9.822 -17.087 723 HA2 GLY 98 2HA GLY 98 -0.421 7.290 -16.962 724 HA3 GLY 98 3HA GLY 98 0.477 8.309 -15.829 725 H VAL 99 H VAL 99 -0.536 6.635 -14.254 726 HA VAL 99 HA VAL 99 -3.109 7.769 -13.391 727 HB VAL 99 HB VAL 99 -1.952 4.965 -12.993 728 HG11 VAL 99 1HG1 VAL 99 -4.021 4.481 -11.721 729 HG12 VAL 99 2HG1 VAL 99 -3.023 5.740 -10.919 730 HG13 VAL 99 3HG1 VAL 99 -4.493 6.209 -11.839 731 HG21 VAL 99 3HG2 VAL 99 -2.999 5.343 -15.185 732 HG22 VAL 99 1HG2 VAL 99 -4.007 4.252 -14.176 733 HG23 VAL 99 2HG2 VAL 99 -4.479 5.972 -14.384 734 H THR 100 H THR 100 -3.185 8.682 -11.330 735 HA THR 100 HA THR 100 -0.628 8.667 -9.908 736 HB THR 100 HB THR 100 -3.031 10.564 -9.779 737 HG1 THR 100 HG1 THR 100 -0.291 10.999 -10.658 738 HG21 THR 100 3HG2 THR 100 -0.344 10.666 -8.321 739 HG22 THR 100 1HG2 THR 100 -1.602 11.948 -8.303 740 HG23 THR 100 2HG2 THR 100 -1.945 10.343 -7.573 741 H VAL 101 H VAL 101 -0.452 7.843 -7.813 742 HA VAL 101 HA VAL 101 -2.958 6.807 -6.678 743 HB VAL 101 HB VAL 101 -0.080 5.840 -6.279 744 HG11 VAL 101 1HG1 VAL 101 -1.132 3.940 -5.092 745 HG12 VAL 101 2HG1 VAL 101 -1.476 5.506 -4.284 746 HG13 VAL 101 3HG1 VAL 101 -2.741 4.716 -5.285 747 HG21 VAL 101 3HG2 VAL 101 -0.930 5.330 -8.529 748 HG22 VAL 101 1HG2 VAL 101 -0.817 3.838 -7.535 749 HG23 VAL 101 2HG2 VAL 101 -2.414 4.610 -7.819 750 H ARG 102 H ARG 102 -3.649 7.779 -4.798 751 HA ARG 102 HA ARG 102 -1.613 9.273 -3.283 752 HB2 ARG 102 2HB ARG 102 -3.128 10.802 -4.314 753 HB3 ARG 102 3HB ARG 102 -4.535 9.888 -3.756 754 HG2 ARG 102 2HG ARG 102 -3.953 10.420 -1.403 755 HG3 ARG 102 3HG ARG 102 -2.537 11.325 -1.954 756 HD2 ARG 102 2HD ARG 102 -5.413 11.968 -2.641 757 HD3 ARG 102 3HD ARG 102 -4.465 12.737 -1.362 758 HE ARG 102 HE ARG 102 -2.968 13.104 -3.661 759 HH11 ARG 102 1HH1 ARG 102 -6.265 13.874 -2.718 760 HH12 ARG 102 2HH1 ARG 102 -6.331 15.304 -3.693 761 HH21 ARG 102 1HH2 ARG 102 -3.072 14.931 -4.914 762 HH22 ARG 102 2HH2 ARG 102 -4.499 15.912 -4.955 763 H VAL 103 H VAL 103 -1.205 8.563 -1.233 764 HA VAL 103 HA VAL 103 -3.302 6.914 0.003 765 HB VAL 103 HB VAL 103 -0.264 6.633 0.268 766 HG11 VAL 103 1HG1 VAL 103 -0.802 4.588 1.556 767 HG12 VAL 103 2HG1 VAL 103 -1.454 6.065 2.343 768 HG13 VAL 103 3HG1 VAL 103 -2.551 4.975 1.430 769 HG21 VAL 103 3HG2 VAL 103 -1.077 5.863 -1.920 770 HG22 VAL 103 1HG2 VAL 103 -0.585 4.472 -0.897 771 HG23 VAL 103 2HG2 VAL 103 -2.326 4.854 -1.116 772 H SER 104 H SER 104 -4.094 7.776 1.908 773 HA SER 104 HA SER 104 -2.209 9.406 3.497 774 HB2 SER 104 2HB SER 104 -5.253 9.424 3.317 775 HB3 SER 104 3HB SER 104 -4.332 10.289 4.554 776 HG SER 104 HG SER 104 -4.865 11.632 2.746 777 H PHE 105 H PHE 105 -1.602 8.625 5.485 778 HA PHE 105 HA PHE 105 -3.200 6.483 6.669 779 HB2 PHE 105 2HB PHE 105 -1.286 4.990 6.834 780 HB3 PHE 105 3HB PHE 105 -1.598 5.363 5.134 781 HD1 PHE 105 HD1 PHE 105 -0.112 6.979 3.920 782 HD2 PHE 105 HD2 PHE 105 0.777 5.597 7.889 783 HE1 PHE 105 HE1 PHE 105 2.238 7.713 3.649 784 HE2 PHE 105 HE2 PHE 105 3.125 6.332 7.617 785 HZ PHE 105 HZ PHE 105 3.860 7.392 5.500 786 H VAL 106 H VAL 106 -2.464 5.979 8.937 787 HA VAL 106 HA VAL 106 -1.724 8.419 10.243 788 HB VAL 106 HB VAL 106 -2.253 5.594 11.298 789 HG11 VAL 106 1HG1 VAL 106 -2.466 6.677 13.515 790 HG12 VAL 106 2HG1 VAL 106 -0.813 6.861 12.836 791 HG13 VAL 106 3HG1 VAL 106 -1.961 8.242 12.793 792 HG21 VAL 106 3HG2 VAL 106 -4.213 6.634 10.239 793 HG22 VAL 106 1HG2 VAL 106 -4.422 6.546 12.020 794 HG23 VAL 106 2HG2 VAL 106 -3.990 8.107 11.243 795 H ALA 107 H ALA 107 0.271 8.961 11.155 796 HA ALA 107 HA ALA 107 2.555 7.470 10.386 797 HB1 ALA 107 3HB ALA 107 2.177 9.715 12.426 798 HB2 ALA 107 1HB ALA 107 3.751 9.128 11.792 799 HB3 ALA 107 2HB ALA 107 2.573 9.912 10.686 800 H GLU 108 H GLU 108 3.825 5.982 11.498 801 HA GLU 108 HA GLU 108 2.617 4.687 13.737 802 HB2 GLU 108 2HB GLU 108 3.874 3.434 12.058 803 HB3 GLU 108 3HB GLU 108 5.319 4.413 12.340 804 HG2 GLU 108 2HG GLU 108 5.465 2.172 13.409 805 HG3 GLU 108 3HG GLU 108 5.589 3.486 14.587 806 H THR 109 H THR 109 2.921 5.052 15.909 807 HA THR 109 HA THR 109 4.302 7.378 16.677 808 HB THR 109 HB THR 109 3.751 6.646 18.994 809 HG1 THR 109 HG1 THR 109 2.587 4.603 19.221 810 HG21 THR 109 3HG2 THR 109 1.496 6.187 16.979 811 HG22 THR 109 1HG2 THR 109 1.289 6.557 18.724 812 HG23 THR 109 2HG2 THR 109 2.029 7.773 17.630 813 H GLU 110 H GLU 110 5.276 3.960 16.376 814 HA GLU 110 HA GLU 110 7.394 4.117 18.286 815 HB2 GLU 110 2HB GLU 110 6.711 2.180 16.026 816 HB3 GLU 110 3HB GLU 110 8.093 1.962 17.107 817 HG2 GLU 110 2HG GLU 110 6.582 1.828 19.061 818 HG3 GLU 110 3HG GLU 110 5.181 2.134 18.026 819 H TYR 111 H TYR 111 6.990 5.364 15.065 820 HA TYR 111 HA TYR 111 9.916 5.651 14.861 821 HB2 TYR 111 2HB TYR 111 7.926 4.955 12.647 822 HB3 TYR 111 3HB TYR 111 9.595 5.465 12.361 823 HD1 TYR 111 HD1 TYR 111 7.429 2.740 13.602 824 HD2 TYR 111 HD2 TYR 111 11.475 3.974 12.871 825 HE1 TYR 111 HE1 TYR 111 8.184 0.396 13.848 826 HE2 TYR 111 HE2 TYR 111 12.237 1.631 13.112 827 HH TYR 111 HH TYR 111 11.663 -0.469 13.494 828 HA PRO 112 HA PRO 112 9.153 9.988 14.284 829 HB2 PRO 112 2HB PRO 112 11.216 9.751 12.058 830 HB3 PRO 112 3HB PRO 112 11.226 10.837 13.454 831 HG2 PRO 112 2HG PRO 112 12.869 8.738 13.425 832 HG3 PRO 112 3HG PRO 112 12.035 9.162 14.925 833 HD2 PRO 112 2HD PRO 112 11.379 6.943 12.944 834 HD3 PRO 112 3HD PRO 112 11.353 6.894 14.711 835 H VAL 113 H VAL 113 7.929 11.374 13.083 836 HA VAL 113 HA VAL 113 6.204 10.213 11.269 837 HB VAL 113 HB VAL 113 6.979 13.132 11.744 838 HG11 VAL 113 1HG1 VAL 113 4.878 13.721 10.575 839 HG12 VAL 113 2HG1 VAL 113 6.042 12.896 9.484 840 HG13 VAL 113 3HG1 VAL 113 4.638 11.993 10.147 841 HG21 VAL 113 3HG2 VAL 113 5.970 11.985 13.669 842 HG22 VAL 113 1HG2 VAL 113 4.837 13.197 12.982 843 HG23 VAL 113 2HG2 VAL 113 4.595 11.450 12.646 844 H GLU 114 H GLU 114 9.185 12.237 10.681 845 HA GLU 114 HA GLU 114 8.837 12.404 7.897 846 HB2 GLU 114 2HB GLU 114 11.278 12.569 9.722 847 HB3 GLU 114 3HB GLU 114 11.361 12.850 7.978 848 HG2 GLU 114 2HG GLU 114 9.812 14.756 8.166 849 HG3 GLU 114 3HG GLU 114 9.576 14.437 9.889 850 H GLN 115 H GLN 115 10.565 9.984 9.996 851 HA GLN 115 HA GLN 115 11.778 8.647 7.826 852 HB2 GLN 115 2HB GLN 115 11.068 7.790 10.676 853 HB3 GLN 115 3HB GLN 115 12.007 6.790 9.560 854 HG2 GLN 115 2HG GLN 115 12.790 9.568 10.559 855 HG3 GLN 115 3HG GLN 115 13.447 8.033 11.142 856 HE21 GLN 115 1HE2 GLN 115 14.463 10.523 9.529 857 HE22 GLN 115 2HE2 GLN 115 15.403 9.810 8.261 858 H GLN 116 H GLN 116 8.584 8.299 9.488 859 HA GLN 116 HA GLN 116 7.954 5.821 8.257 860 HB2 GLN 116 2HB GLN 116 6.905 6.770 10.348 861 HB3 GLN 116 3HB GLN 116 6.120 8.008 9.359 862 HG2 GLN 116 2HG GLN 116 4.542 6.219 9.837 863 HG3 GLN 116 3HG GLN 116 4.897 6.248 8.105 864 HE21 GLN 116 1HE2 GLN 116 4.656 4.162 7.496 865 HE22 GLN 116 2HE2 GLN 116 5.497 2.814 8.186 866 H GLN 117 H GLN 117 7.369 9.300 7.381 867 HA GLN 117 HA GLN 117 5.727 8.801 5.176 868 HB2 GLN 117 2HB GLN 117 6.069 11.026 6.194 869 HB3 GLN 117 3HB GLN 117 7.773 11.008 5.724 870 HG2 GLN 117 2HG GLN 117 7.126 10.995 3.328 871 HG3 GLN 117 3HG GLN 117 5.417 10.974 3.780 872 HE21 GLN 117 1HE2 GLN 117 5.743 12.969 2.269 873 HE22 GLN 117 2HE2 GLN 117 5.993 14.482 3.074 874 H GLN 118 H GLN 118 9.363 9.038 5.442 875 HA GLN 118 HA GLN 118 9.781 8.746 2.665 876 HB2 GLN 118 2HB GLN 118 11.526 8.278 5.129 877 HB3 GLN 118 3HB GLN 118 12.130 8.089 3.477 878 HG2 GLN 118 2HG GLN 118 11.631 10.451 2.986 879 HG3 GLN 118 3HG GLN 118 10.915 10.660 4.590 880 HE21 GLN 118 1HE2 GLN 118 12.828 12.394 4.069 881 HE22 GLN 118 2HE2 GLN 118 14.321 12.010 4.859 882 H GLY 119 H GLY 119 9.507 6.376 5.404 883 HA2 GLY 119 2HA GLY 119 10.476 4.151 3.993 884 HA3 GLY 119 3HA GLY 119 9.408 4.139 5.403 885 H TRP 120 H TRP 120 7.052 5.368 4.469 886 HA TRP 120 HA TRP 120 5.897 3.302 2.931 887 HB2 TRP 120 2HB TRP 120 4.728 4.787 4.601 888 HB3 TRP 120 3HB TRP 120 4.899 6.141 3.476 889 HD1 TRP 120 HD1 TRP 120 3.050 6.408 1.650 890 HE1 TRP 120 HE1 TRP 120 0.991 5.021 0.923 891 HE3 TRP 120 HE3 TRP 120 3.943 2.151 4.386 892 HZ2 TRP 120 HZ2 TRP 120 -0.105 2.481 1.425 893 HZ3 TRP 120 HZ3 TRP 120 2.330 0.262 4.208 894 HH2 TRP 120 HH2 TRP 120 0.359 0.416 2.767 895 H GLN 121 H GLN 121 7.204 6.579 2.086 896 HA GLN 121 HA GLN 121 6.236 6.635 -0.539 897 HB2 GLN 121 2HB GLN 121 7.217 8.568 0.695 898 HB3 GLN 121 3HB GLN 121 8.804 7.789 0.662 899 HG2 GLN 121 2HG GLN 121 8.835 7.908 -1.809 900 HG3 GLN 121 3HG GLN 121 7.220 8.628 -1.811 901 HE21 GLN 121 1HE2 GLN 121 8.758 10.192 -3.090 902 HE22 GLN 121 2HE2 GLN 121 9.392 11.516 -2.172 903 H ALA 122 H ALA 122 9.217 5.139 0.901 904 HA ALA 122 HA ALA 122 10.385 4.415 -1.552 905 HB1 ALA 122 3HB ALA 122 10.530 3.120 1.215 906 HB2 ALA 122 1HB ALA 122 11.647 2.796 -0.153 907 HB3 ALA 122 2HB ALA 122 11.593 4.428 0.595 908 H ILE 123 H ILE 123 7.836 2.854 0.479 909 HA ILE 123 HA ILE 123 7.857 0.410 -0.896 910 HB ILE 123 HB ILE 123 5.702 1.904 0.673 911 HG12 ILE 123 2HG1 ILE 123 7.310 -0.600 1.355 912 HG13 ILE 123 3HG1 ILE 123 7.789 1.033 1.834 913 HG21 ILE 123 1HG2 ILE 123 4.430 -0.214 0.687 914 HG22 ILE 123 2HG2 ILE 123 4.606 0.449 -0.973 915 HG23 ILE 123 3HG2 ILE 123 5.623 -0.934 -0.446 916 HD11 ILE 123 3HD1 ILE 123 5.192 -0.364 2.618 917 HD12 ILE 123 1HD1 ILE 123 6.632 -0.121 3.663 918 HD13 ILE 123 2HD1 ILE 123 5.679 1.295 3.105 919 H LEU 124 H LEU 124 5.900 3.461 -1.374 920 HA LEU 124 HA LEU 124 4.465 2.460 -3.598 921 HB2 LEU 124 2HB LEU 124 5.172 5.265 -2.623 922 HB3 LEU 124 3HB LEU 124 4.138 4.962 -4.026 923 HG LEU 124 HG LEU 124 3.541 3.969 -1.191 924 HD11 LEU 124 1HD1 LEU 124 1.824 5.741 -1.169 925 HD12 LEU 124 2HD1 LEU 124 3.476 6.426 -1.333 926 HD13 LEU 124 3HD1 LEU 124 2.400 6.322 -2.768 927 HD21 LEU 124 3HD2 LEU 124 2.583 2.573 -2.988 928 HD22 LEU 124 1HD2 LEU 124 1.303 3.502 -2.139 929 HD23 LEU 124 2HD2 LEU 124 1.877 4.035 -3.755 930 H ASN 125 H ASN 125 7.680 4.066 -3.239 931 HA ASN 125 HA ASN 125 8.082 4.517 -5.984 932 HB2 ASN 125 2HB ASN 125 9.938 4.124 -3.621 933 HB3 ASN 125 3HB ASN 125 10.553 4.366 -5.262 934 HD21 ASN 125 1HD2 ASN 125 11.115 6.071 -3.174 935 HD22 ASN 125 2HD2 ASN 125 10.445 7.623 -3.552 936 H ASN 126 H ASN 126 8.642 1.629 -3.861 937 HA ASN 126 HA ASN 126 9.945 0.108 -5.848 938 HB2 ASN 126 2HB ASN 126 8.384 -0.581 -3.343 939 HB3 ASN 126 3HB ASN 126 9.045 -1.831 -4.406 940 HD21 ASN 126 1HD2 ASN 126 9.691 -1.269 -1.664 941 HD22 ASN 126 2HD2 ASN 126 11.403 -1.006 -1.625 942 H PHE 127 H PHE 127 6.450 0.622 -5.009 943 HA PHE 127 HA PHE 127 5.406 -1.252 -6.813 944 HB2 PHE 127 2HB PHE 127 4.103 -0.102 -5.048 945 HB3 PHE 127 3HB PHE 127 4.335 1.451 -5.863 946 HD1 PHE 127 HD1 PHE 127 3.933 -1.262 -8.188 947 HD2 PHE 127 HD2 PHE 127 1.763 1.471 -5.681 948 HE1 PHE 127 HE1 PHE 127 1.885 -1.658 -9.524 949 HE2 PHE 127 HE2 PHE 127 -0.281 1.072 -7.016 950 HZ PHE 127 HZ PHE 127 -0.223 -0.494 -8.941 951 H LYS 128 H LYS 128 6.363 2.240 -7.261 952 HA LYS 128 HA LYS 128 5.560 2.473 -9.912 953 HB2 LYS 128 2HB LYS 128 6.293 4.345 -8.473 954 HB3 LYS 128 3HB LYS 128 7.939 3.698 -8.437 955 HG2 LYS 128 2HG LYS 128 8.133 4.041 -10.899 956 HG3 LYS 128 3HG LYS 128 6.483 4.675 -10.945 957 HD2 LYS 128 2HD LYS 128 7.127 6.523 -9.407 958 HD3 LYS 128 3HD LYS 128 8.769 5.875 -9.292 959 HE2 LYS 128 2HE LYS 128 9.033 6.166 -11.779 960 HE3 LYS 128 3HE LYS 128 7.412 6.869 -11.853 961 HZ1 LYS 128 3HZ LYS 128 9.673 7.967 -10.306 962 HZ2 LYS 128 1HZ LYS 128 9.104 8.558 -11.718 963 HZ3 LYS 128 2HZ LYS 128 8.177 8.617 -10.375 964 H ARG 129 H ARG 129 8.693 1.222 -8.517 965 HA ARG 129 HA ARG 129 9.916 0.831 -11.011 966 HB2 ARG 129 2HB ARG 129 10.370 -0.525 -8.341 967 HB3 ARG 129 3HB ARG 129 11.393 -0.741 -9.767 968 HG2 ARG 129 2HG ARG 129 10.872 1.912 -8.355 969 HG3 ARG 129 3HG ARG 129 12.301 0.896 -8.128 970 HD2 ARG 129 2HD ARG 129 12.750 1.132 -10.591 971 HD3 ARG 129 3HD ARG 129 11.434 2.313 -10.653 972 HE ARG 129 HE ARG 129 13.346 3.024 -8.634 973 HH11 ARG 129 1HH1 ARG 129 12.909 2.994 -12.121 974 HH12 ARG 129 2HH1 ARG 129 13.954 4.351 -12.378 975 HH21 ARG 129 1HH2 ARG 129 14.691 4.753 -8.980 976 HH22 ARG 129 2HH2 ARG 129 14.978 5.362 -10.577 977 H HIS 130 H HIS 130 7.675 -1.229 -9.054 978 HA HIS 130 HA HIS 130 7.929 -3.551 -10.592 979 HB2 HIS 130 2HB HIS 130 6.778 -3.436 -8.406 980 HB3 HIS 130 3HB HIS 130 5.533 -2.384 -9.091 981 HD2 HIS 130 HD2 HIS 130 3.386 -3.729 -10.168 982 HE1 HIS 130 HE1 HIS 130 5.163 -7.622 -10.271 983 H VAL 131 H VAL 131 5.763 -0.640 -10.992 984 HA VAL 131 HA VAL 131 4.405 -1.607 -13.220 985 HB VAL 131 HB VAL 131 5.145 1.223 -12.327 986 HG11 VAL 131 1HG1 VAL 131 3.418 2.020 -13.910 987 HG12 VAL 131 2HG1 VAL 131 4.783 1.218 -14.758 988 HG13 VAL 131 3HG1 VAL 131 3.228 0.348 -14.538 989 HG21 VAL 131 3HG2 VAL 131 3.655 -0.017 -10.815 990 HG22 VAL 131 1HG2 VAL 131 2.769 1.309 -11.640 991 HG23 VAL 131 2HG2 VAL 131 2.555 -0.389 -12.185 992 H GLU 132 H GLU 132 7.588 0.116 -12.909 993 HA GLU 132 HA GLU 132 7.911 0.664 -15.640 994 HB2 GLU 132 2HB GLU 132 9.844 0.244 -13.320 995 HB3 GLU 132 3HB GLU 132 10.401 0.652 -14.948 996 HG2 GLU 132 2HG GLU 132 9.080 2.756 -14.890 997 HG3 GLU 132 3HG GLU 132 8.471 2.343 -13.281 998 H SER 133 H SER 133 8.445 -2.319 -13.706 999 HA SER 133 HA SER 133 10.065 -3.589 -15.685 1000 HB2 SER 133 2HB SER 133 9.843 -5.521 -14.291 1001 HB3 SER 133 3HB SER 133 10.002 -4.123 -13.220 1002 HG SER 133 HG SER 133 7.507 -4.168 -13.347 1003 H HIS 134 H HIS 134 6.654 -2.871 -15.479 1004 HA HIS 134 HA HIS 134 5.964 -5.097 -17.232 1005 HB2 HIS 134 2HB HIS 134 4.357 -2.827 -15.966 1006 HB3 HIS 134 3HB HIS 134 3.667 -4.005 -17.091 1007 HD2 HIS 134 HD2 HIS 134 4.140 -3.610 -13.355 1008 HE1 HIS 134 HE1 HIS 134 3.706 -7.816 -14.034 1009 H LEU 135 H LEU 135 7.642 -2.302 -17.735 1010 HA LEU 135 HA LEU 135 6.229 -1.545 -20.177 1011 HB2 LEU 135 2HB LEU 135 8.865 -0.566 -18.979 1012 HB3 LEU 135 3HB LEU 135 8.003 0.156 -20.345 1013 HG LEU 135 HG LEU 135 6.950 0.014 -17.470 1014 HD11 LEU 135 1HD1 LEU 135 7.336 2.450 -17.472 1015 HD12 LEU 135 2HD1 LEU 135 8.865 1.540 -17.720 1016 HD13 LEU 135 3HD1 LEU 135 8.058 2.337 -19.113 1017 HD21 LEU 135 3HD2 LEU 135 5.165 -0.061 -19.175 1018 HD22 LEU 135 1HD2 LEU 135 5.184 1.521 -18.326 1019 HD23 LEU 135 2HD2 LEU 135 5.867 1.382 -19.981 1020 H GLU 136 H GLU 136 9.026 -0.885 -21.357 1021 HA GLU 136 HA GLU 136 9.032 -3.195 -23.014 1022 HB2 GLU 136 2HB GLU 136 9.550 -0.781 -23.669 1023 HB3 GLU 136 3HB GLU 136 11.099 -0.954 -22.833 1024 HG2 GLU 136 2HG GLU 136 11.771 -2.763 -24.364 1025 HG3 GLU 136 3HG GLU 136 10.188 -2.728 -25.151 1026 H HIS 137 H HIS 137 9.436 -4.857 -21.248 1027 HA HIS 137 HA HIS 137 11.894 -4.895 -19.873 1028 HB2 HIS 137 2HB HIS 137 9.760 -6.182 -19.331 1029 HB3 HIS 137 3HB HIS 137 10.133 -7.256 -20.686 1030 HD2 HIS 137 HD2 HIS 137 11.062 -6.800 -16.966 1031 HE1 HIS 137 HE1 HIS 137 13.711 -9.750 -18.580 1032 H HIS 138 H HIS 138 13.905 -5.832 -20.359 1033 HA HIS 138 HA HIS 138 14.154 -6.830 -23.126 1034 HB2 HIS 138 2HB HIS 138 16.197 -5.430 -21.328 1035 HB3 HIS 138 3HB HIS 138 16.535 -6.083 -22.937 1036 HD2 HIS 138 HD2 HIS 138 14.917 -2.935 -21.291 1037 HE1 HIS 138 HE1 HIS 138 14.650 -2.494 -25.541 Start of MODEL 15 1 H1 MET 1 1H MET 1 -1.210 13.122 14.467 2 H2 MET 1 2H MET 1 -2.249 12.294 13.518 3 H3 MET 1 3H MET 1 -0.855 11.597 14.005 4 HA MET 1 HA MET 1 -0.978 13.992 12.350 5 HB2 MET 1 2HB MET 1 1.254 12.017 13.024 6 HB3 MET 1 3HB MET 1 1.390 13.313 11.828 7 HG2 MET 1 2HG MET 1 0.842 13.713 14.807 8 HG3 MET 1 3HG MET 1 2.418 13.890 14.023 9 HE1 MET 1 3HE MET 1 1.716 15.537 11.213 10 HE2 MET 1 1HE MET 1 2.182 17.099 11.966 11 HE3 MET 1 2HE MET 1 3.076 15.598 12.384 12 H ASN 2 H ASN 2 -1.875 13.677 10.356 13 HA ASN 2 HA ASN 2 -1.889 10.971 9.276 14 HB2 ASN 2 2HB ASN 2 -3.179 13.566 8.352 15 HB3 ASN 2 3HB ASN 2 -3.294 12.029 7.485 16 HD21 ASN 2 1HD2 ASN 2 -4.829 14.015 9.571 17 HD22 ASN 2 2HD2 ASN 2 -5.930 12.883 10.280 18 H ILE 3 H ILE 3 -0.365 10.277 7.821 19 HA ILE 3 HA ILE 3 1.248 12.357 6.533 20 HB ILE 3 HB ILE 3 1.768 9.373 6.982 21 HG12 ILE 3 2HG1 ILE 3 3.176 11.819 8.150 22 HG13 ILE 3 3HG1 ILE 3 1.899 10.924 8.986 23 HG21 ILE 3 1HG2 ILE 3 4.024 9.835 6.080 24 HG22 ILE 3 2HG2 ILE 3 2.742 10.136 4.859 25 HG23 ILE 3 3HG2 ILE 3 3.523 11.517 5.699 26 HD11 ILE 3 3HD1 ILE 3 4.577 9.776 8.075 27 HD12 ILE 3 1HD1 ILE 3 4.121 10.221 9.755 28 HD13 ILE 3 2HD1 ILE 3 3.281 8.868 8.924 29 H THR 4 H THR 4 1.187 12.625 4.302 30 HA THR 4 HA THR 4 -0.380 10.611 2.841 31 HB THR 4 HB THR 4 -0.105 13.623 2.342 32 HG1 THR 4 HG1 THR 4 -2.466 12.045 2.954 33 HG21 THR 4 3HG2 THR 4 -1.686 11.488 0.830 34 HG22 THR 4 1HG2 THR 4 -1.754 13.258 0.532 35 HG23 THR 4 2HG2 THR 4 -0.231 12.354 0.231 36 H VAL 5 H VAL 5 0.593 9.651 1.044 37 HA VAL 5 HA VAL 5 2.953 11.021 -0.030 38 HB VAL 5 HB VAL 5 3.942 8.742 -0.460 39 HG11 VAL 5 1HG1 VAL 5 4.702 8.362 1.867 40 HG12 VAL 5 2HG1 VAL 5 4.691 10.108 1.444 41 HG13 VAL 5 3HG1 VAL 5 3.382 9.422 2.465 42 HG21 VAL 5 3HG2 VAL 5 1.872 7.423 -0.347 43 HG22 VAL 5 1HG2 VAL 5 3.081 6.817 0.835 44 HG23 VAL 5 2HG2 VAL 5 1.700 7.819 1.397 45 H GLU 6 H GLU 6 3.391 10.507 -2.350 46 HA GLU 6 HA GLU 6 1.075 9.367 -3.744 47 HB2 GLU 6 2HB GLU 6 2.307 12.114 -4.276 48 HB3 GLU 6 3HB GLU 6 1.136 11.306 -5.326 49 HG2 GLU 6 2HG GLU 6 -0.536 11.331 -3.458 50 HG3 GLU 6 3HG GLU 6 0.635 12.175 -2.436 51 H THR 7 H THR 7 1.629 8.245 -5.637 52 HA THR 7 HA THR 7 4.209 8.902 -6.823 53 HB THR 7 HB THR 7 3.278 6.068 -6.125 54 HG1 THR 7 HG1 THR 7 5.866 6.809 -5.446 55 HG21 THR 7 3HG2 THR 7 5.700 7.020 -7.733 56 HG22 THR 7 1HG2 THR 7 5.368 5.327 -7.233 57 HG23 THR 7 2HG2 THR 7 4.268 6.155 -8.386 58 H THR 8 H THR 8 4.116 8.954 -9.083 59 HA THR 8 HA THR 8 1.523 8.179 -10.209 60 HB THR 8 HB THR 8 3.672 10.124 -11.201 61 HG1 THR 8 HG1 THR 8 1.935 11.673 -10.791 62 HG21 THR 8 3HG2 THR 8 0.952 9.395 -12.397 63 HG22 THR 8 1HG2 THR 8 2.043 10.697 -12.980 64 HG23 THR 8 2HG2 THR 8 2.558 8.980 -13.085 65 H VAL 9 H VAL 9 1.440 6.407 -11.568 66 HA VAL 9 HA VAL 9 4.027 5.478 -12.613 67 HB VAL 9 HB VAL 9 3.130 3.178 -12.441 68 HG11 VAL 9 1HG1 VAL 9 3.134 2.976 -9.973 69 HG12 VAL 9 2HG1 VAL 9 4.414 4.093 -10.554 70 HG13 VAL 9 3HG1 VAL 9 2.908 4.752 -9.832 71 HG21 VAL 9 3HG2 VAL 9 0.743 3.688 -12.724 72 HG22 VAL 9 1HG2 VAL 9 1.021 2.743 -11.222 73 HG23 VAL 9 2HG2 VAL 9 0.717 4.511 -11.127 74 H ALA 10 H ALA 10 4.058 4.624 -14.780 75 HA ALA 10 HA ALA 10 1.843 5.495 -16.436 76 HB1 ALA 10 3HB ALA 10 4.495 4.110 -17.070 77 HB2 ALA 10 1HB ALA 10 3.331 4.750 -18.279 78 HB3 ALA 10 2HB ALA 10 4.168 5.873 -17.155 79 H ALA 11 H ALA 11 0.200 3.991 -15.479 80 HA ALA 11 HA ALA 11 0.070 1.604 -17.064 81 HB1 ALA 11 3HB ALA 11 0.310 1.400 -14.020 82 HB2 ALA 11 1HB ALA 11 -0.154 0.063 -15.126 83 HB3 ALA 11 2HB ALA 11 1.490 0.781 -15.224 84 HA PRO 12 HA PRO 12 -4.201 2.543 -16.668 85 HB2 PRO 12 2HB PRO 12 -5.281 -0.017 -17.011 86 HB3 PRO 12 3HB PRO 12 -4.608 0.900 -18.365 87 HG2 PRO 12 2HG PRO 12 -3.294 -1.260 -16.684 88 HG3 PRO 12 3HG PRO 12 -3.280 -1.059 -18.441 89 HD2 PRO 12 2HD PRO 12 -1.150 -0.267 -16.967 90 HD3 PRO 12 3HD PRO 12 -1.661 0.688 -18.365 91 H VAL 13 H VAL 13 -6.011 2.536 -15.299 92 HA VAL 13 HA VAL 13 -5.136 2.498 -12.677 93 HB VAL 13 HB VAL 13 -7.951 2.552 -13.868 94 HG11 VAL 13 1HG1 VAL 13 -8.694 3.412 -11.669 95 HG12 VAL 13 2HG1 VAL 13 -8.055 1.738 -11.551 96 HG13 VAL 13 3HG1 VAL 13 -7.051 3.123 -11.006 97 HG21 VAL 13 3HG2 VAL 13 -6.514 4.445 -14.491 98 HG22 VAL 13 1HG2 VAL 13 -7.808 4.970 -13.361 99 HG23 VAL 13 2HG2 VAL 13 -6.131 4.740 -12.761 100 H GLY 14 H GLY 14 -7.004 0.023 -14.568 101 HA2 GLY 14 2HA GLY 14 -7.922 -1.448 -12.363 102 HA3 GLY 14 3HA GLY 14 -7.729 -2.024 -14.024 103 H LYS 15 H LYS 15 -4.911 -1.828 -14.410 104 HA LYS 15 HA LYS 15 -4.045 -4.138 -13.020 105 HB2 LYS 15 2HB LYS 15 -2.651 -2.068 -14.775 106 HB3 LYS 15 3HB LYS 15 -1.811 -3.468 -14.096 107 HG2 LYS 15 2HG LYS 15 -3.471 -4.973 -15.265 108 HG3 LYS 15 3HG LYS 15 -4.193 -3.542 -16.013 109 HD2 LYS 15 2HD LYS 15 -1.959 -2.969 -17.024 110 HD3 LYS 15 3HD LYS 15 -1.277 -4.438 -16.313 111 HE2 LYS 15 2HE LYS 15 -2.923 -5.823 -17.586 112 HE3 LYS 15 3HE LYS 15 -3.614 -4.357 -18.292 113 HZ1 LYS 15 3HZ LYS 15 -0.829 -5.266 -18.648 114 HZ2 LYS 15 1HZ LYS 15 -2.021 -5.378 -19.759 115 HZ3 LYS 15 2HZ LYS 15 -1.467 -3.912 -19.300 116 H VAL 16 H VAL 16 -3.465 -0.584 -12.579 117 HA VAL 16 HA VAL 16 -1.404 -0.865 -10.714 118 HB VAL 16 HB VAL 16 -3.484 1.323 -11.180 119 HG11 VAL 16 1HG1 VAL 16 -2.034 2.788 -9.807 120 HG12 VAL 16 2HG1 VAL 16 -2.711 1.429 -8.848 121 HG13 VAL 16 3HG1 VAL 16 -1.003 1.376 -9.399 122 HG21 VAL 16 3HG2 VAL 16 -1.911 0.944 -13.028 123 HG22 VAL 16 1HG2 VAL 16 -1.575 2.509 -12.213 124 HG23 VAL 16 2HG2 VAL 16 -0.525 1.087 -11.895 125 H TRP 17 H TRP 17 -5.021 -0.599 -10.308 126 HA TRP 17 HA TRP 17 -4.951 -0.548 -7.491 127 HB2 TRP 17 2HB TRP 17 -6.881 0.155 -8.901 128 HB3 TRP 17 3HB TRP 17 -7.108 -1.516 -9.432 129 HD1 TRP 17 HD1 TRP 17 -7.642 0.784 -6.387 130 HE1 TRP 17 HE1 TRP 17 -9.185 -0.414 -4.694 131 HE3 TRP 17 HE3 TRP 17 -7.813 -3.851 -8.599 132 HZ2 TRP 17 HZ2 TRP 17 -10.327 -2.961 -4.339 133 HZ3 TRP 17 HZ3 TRP 17 -9.167 -5.638 -7.517 134 HH2 TRP 17 HH2 TRP 17 -10.396 -5.209 -5.445 135 H ARG 18 H ARG 18 -5.231 -3.277 -9.890 136 HA ARG 18 HA ARG 18 -5.743 -5.215 -7.903 137 HB2 ARG 18 2HB ARG 18 -4.830 -5.368 -10.776 138 HB3 ARG 18 3HB ARG 18 -4.990 -6.807 -9.760 139 HG2 ARG 18 2HG ARG 18 -7.378 -6.281 -9.371 140 HG3 ARG 18 3HG ARG 18 -7.225 -4.820 -10.357 141 HD2 ARG 18 2HD ARG 18 -6.658 -6.184 -12.307 142 HD3 ARG 18 3HD ARG 18 -6.780 -7.650 -11.327 143 HE ARG 18 HE ARG 18 -9.232 -6.284 -11.103 144 HH11 ARG 18 1HH1 ARG 18 -7.345 -7.849 -13.621 145 HH12 ARG 18 2HH1 ARG 18 -8.741 -8.330 -14.527 146 HH21 ARG 18 1HH2 ARG 18 -11.009 -6.900 -12.278 147 HH22 ARG 18 2HH2 ARG 18 -10.845 -7.785 -13.757 148 H ALA 19 H ALA 19 -2.703 -3.959 -9.416 149 HA ALA 19 HA ALA 19 -1.044 -5.948 -8.255 150 HB1 ALA 19 3HB ALA 19 -0.452 -3.121 -9.258 151 HB2 ALA 19 1HB ALA 19 0.774 -4.380 -8.887 152 HB3 ALA 19 2HB ALA 19 -0.392 -4.630 -10.230 153 H TYR 20 H TYR 20 -2.343 -2.793 -7.108 154 HA TYR 20 HA TYR 20 -0.481 -2.509 -4.987 155 HB2 TYR 20 2HB TYR 20 -1.815 -0.652 -5.968 156 HB3 TYR 20 3HB TYR 20 -3.303 -1.400 -5.375 157 HD1 TYR 20 HD1 TYR 20 -0.088 0.162 -4.279 158 HD2 TYR 20 HD2 TYR 20 -4.036 -1.069 -3.129 159 HE1 TYR 20 HE1 TYR 20 0.168 1.363 -2.128 160 HE2 TYR 20 HE2 TYR 20 -3.787 0.128 -0.978 161 HH TYR 20 HH TYR 20 -0.755 1.915 -0.201 162 H THR 21 H THR 21 -3.394 -4.486 -5.435 163 HA THR 21 HA THR 21 -3.519 -4.866 -2.525 164 HB THR 21 HB THR 21 -5.848 -5.679 -2.941 165 HG1 THR 21 HG1 THR 21 -5.514 -4.608 -5.617 166 HG21 THR 21 3HG2 THR 21 -5.241 -2.903 -4.073 167 HG22 THR 21 1HG2 THR 21 -6.835 -3.467 -3.465 168 HG23 THR 21 2HG2 THR 21 -5.445 -3.320 -2.338 169 H THR 22 H THR 22 -1.834 -6.249 -4.867 170 HA THR 22 HA THR 22 -2.682 -8.979 -4.312 171 HB THR 22 HB THR 22 -0.432 -7.832 -6.046 172 HG1 THR 22 HG1 THR 22 -2.492 -7.479 -6.973 173 HG21 THR 22 3HG2 THR 22 -1.423 -10.707 -5.717 174 HG22 THR 22 1HG2 THR 22 -0.206 -10.143 -6.912 175 HG23 THR 22 2HG2 THR 22 0.154 -10.058 -5.155 176 HA PRO 23 HA PRO 23 0.069 -9.067 -0.817 177 HB2 PRO 23 2HB PRO 23 -0.061 -11.847 -0.445 178 HB3 PRO 23 3HB PRO 23 -1.350 -10.761 0.092 179 HG2 PRO 23 2HG PRO 23 -1.170 -12.398 -2.458 180 HG3 PRO 23 3HG PRO 23 -2.550 -12.176 -1.374 181 HD2 PRO 23 2HD PRO 23 -2.401 -10.768 -3.679 182 HD3 PRO 23 3HD PRO 23 -3.039 -10.002 -2.219 183 H GLU 24 H GLU 24 0.588 -11.383 -3.554 184 HA GLU 24 HA GLU 24 3.249 -11.940 -2.901 185 HB2 GLU 24 2HB GLU 24 1.726 -11.833 -5.542 186 HB3 GLU 24 3HB GLU 24 3.409 -12.366 -5.428 187 HG2 GLU 24 2HG GLU 24 2.751 -14.210 -3.914 188 HG3 GLU 24 3HG GLU 24 1.071 -13.655 -3.935 189 H ASP 25 H ASP 25 1.738 -9.136 -4.600 190 HA ASP 25 HA ASP 25 4.273 -8.089 -5.441 191 HB2 ASP 25 2HB ASP 25 1.421 -7.020 -5.317 192 HB3 ASP 25 3HB ASP 25 2.781 -6.008 -5.821 193 H ILE 26 H ILE 26 1.951 -7.455 -2.706 194 HA ILE 26 HA ILE 26 3.144 -5.076 -1.908 195 HB ILE 26 HB ILE 26 1.497 -7.171 -0.418 196 HG12 ILE 26 2HG1 ILE 26 0.777 -4.346 -1.317 197 HG13 ILE 26 3HG1 ILE 26 0.513 -5.775 -2.324 198 HG21 ILE 26 1HG2 ILE 26 1.201 -5.488 1.370 199 HG22 ILE 26 2HG2 ILE 26 2.915 -6.002 1.214 200 HG23 ILE 26 3HG2 ILE 26 2.389 -4.417 0.553 201 HD11 ILE 26 3HD1 ILE 26 -0.686 -5.297 0.441 202 HD12 ILE 26 1HD1 ILE 26 -1.537 -5.141 -1.133 203 HD13 ILE 26 2HD1 ILE 26 -0.955 -6.748 -0.581 204 H LYS 27 H LYS 27 3.775 -8.518 -0.895 205 HA LYS 27 HA LYS 27 5.372 -7.850 1.314 206 HB2 LYS 27 2HB LYS 27 5.971 -10.175 1.322 207 HB3 LYS 27 3HB LYS 27 4.268 -10.062 0.858 208 HG2 LYS 27 2HG LYS 27 4.920 -10.341 -1.547 209 HG3 LYS 27 3HG LYS 27 6.613 -10.493 -1.060 210 HD2 LYS 27 2HD LYS 27 5.987 -12.472 0.381 211 HD3 LYS 27 3HD LYS 27 4.322 -12.341 -0.201 212 HE2 LYS 27 2HE LYS 27 5.124 -12.661 -2.553 213 HE3 LYS 27 3HE LYS 27 6.786 -12.800 -1.966 214 HZ1 LYS 27 3HZ LYS 27 4.569 -14.611 -1.244 215 HZ2 LYS 27 1HZ LYS 27 5.779 -14.949 -2.288 216 HZ3 LYS 27 2HZ LYS 27 6.104 -14.740 -0.702 217 H GLN 28 H GLN 28 6.015 -7.670 -2.136 218 HA GLN 28 HA GLN 28 8.873 -8.043 -1.791 219 HB2 GLN 28 2HB GLN 28 7.059 -7.371 -4.155 220 HB3 GLN 28 3HB GLN 28 8.823 -7.398 -4.282 221 HG2 GLN 28 2HG GLN 28 8.802 -9.796 -3.515 222 HG3 GLN 28 3HG GLN 28 7.034 -9.749 -3.508 223 HE21 GLN 28 1HE2 GLN 28 5.934 -10.072 -5.391 224 HE22 GLN 28 2HE2 GLN 28 6.671 -10.261 -6.947 225 H TRP 29 H TRP 29 6.498 -5.393 -1.826 226 HA TRP 29 HA TRP 29 8.461 -3.487 -2.796 227 HB2 TRP 29 2HB TRP 29 5.534 -3.241 -1.940 228 HB3 TRP 29 3HB TRP 29 6.508 -1.900 -2.556 229 HD1 TRP 29 HD1 TRP 29 7.937 -4.040 -4.816 230 HE1 TRP 29 HE1 TRP 29 6.571 -4.464 -6.969 231 HE3 TRP 29 HE3 TRP 29 3.318 -2.541 -3.142 232 HZ2 TRP 29 HZ2 TRP 29 3.909 -4.202 -7.847 233 HZ3 TRP 29 HZ3 TRP 29 1.386 -2.658 -4.707 234 HH2 TRP 29 HH2 TRP 29 1.669 -3.471 -7.000 235 H ASN 30 H ASN 30 7.693 -4.882 0.234 236 HA ASN 30 HA ASN 30 7.547 -2.872 2.030 237 HB2 ASN 30 2HB ASN 30 7.654 -5.359 2.456 238 HB3 ASN 30 3HB ASN 30 9.412 -5.260 2.286 239 HD21 ASN 30 1HD2 ASN 30 8.226 -6.193 4.562 240 HD22 ASN 30 2HD2 ASN 30 8.601 -5.113 5.863 241 H ALA 31 H ALA 31 9.057 -1.462 3.172 242 HA ALA 31 HA ALA 31 10.727 -0.391 1.071 243 HB1 ALA 31 3HB ALA 31 9.905 0.674 3.817 244 HB2 ALA 31 1HB ALA 31 10.777 1.602 2.551 245 HB3 ALA 31 2HB ALA 31 9.101 1.031 2.251 246 H ALA 32 H ALA 32 11.286 -2.538 3.674 247 HA ALA 32 HA ALA 32 13.711 -1.212 4.589 248 HB1 ALA 32 3HB ALA 32 12.304 -3.792 5.439 249 HB2 ALA 32 1HB ALA 32 13.729 -3.060 6.251 250 HB3 ALA 32 2HB ALA 32 12.158 -2.189 6.234 251 H SER 33 H SER 33 15.248 -3.537 5.287 252 HA SER 33 HA SER 33 16.607 -3.735 2.770 253 HB2 SER 33 2HB SER 33 18.338 -4.768 4.049 254 HB3 SER 33 3HB SER 33 17.676 -3.467 5.047 255 HG SER 33 HG SER 33 16.305 -5.146 6.059 256 H ASP 34 H ASP 34 17.053 -5.640 1.530 257 HA ASP 34 HA ASP 34 15.152 -7.784 1.801 258 HB2 ASP 34 2HB ASP 34 17.550 -7.252 -0.009 259 HB3 ASP 34 3HB ASP 34 16.618 -8.754 -0.076 260 H ASP 35 H ASP 35 17.698 -7.025 3.758 261 HA ASP 35 HA ASP 35 18.963 -9.679 3.604 262 HB2 ASP 35 2HB ASP 35 19.947 -7.029 4.767 263 HB3 ASP 35 3HB ASP 35 20.839 -8.555 4.816 264 H TRP 36 H TRP 36 17.881 -7.138 6.017 265 HA TRP 36 HA TRP 36 18.051 -9.241 8.066 266 HB2 TRP 36 2HB TRP 36 17.973 -6.187 8.225 267 HB3 TRP 36 3HB TRP 36 17.958 -7.258 9.633 268 HD1 TRP 36 HD1 TRP 36 20.307 -5.580 7.212 269 HE1 TRP 36 HE1 TRP 36 22.745 -6.296 7.697 270 HE3 TRP 36 HE3 TRP 36 19.374 -9.468 10.441 271 HZ2 TRP 36 HZ2 TRP 36 24.092 -8.228 9.234 272 HZ3 TRP 36 HZ3 TRP 36 21.307 -10.717 11.391 273 HH2 TRP 36 HH2 TRP 36 23.607 -10.115 10.808 274 H HIS 37 H HIS 37 15.744 -8.143 5.959 275 HA HIS 37 HA HIS 37 13.648 -8.458 8.002 276 HB2 HIS 37 2HB HIS 37 13.667 -6.540 5.620 277 HB3 HIS 37 3HB HIS 37 12.262 -6.871 6.642 278 HD2 HIS 37 HD2 HIS 37 12.251 -5.565 9.132 279 HE1 HIS 37 HE1 HIS 37 15.949 -3.484 8.558 280 H THR 38 H THR 38 12.415 -10.260 7.578 281 HA THR 38 HA THR 38 12.124 -10.997 4.752 282 HB THR 38 HB THR 38 11.642 -12.611 7.313 283 HG1 THR 38 HG1 THR 38 13.464 -13.845 6.447 284 HG21 THR 38 3HG2 THR 38 11.407 -13.419 4.372 285 HG22 THR 38 1HG2 THR 38 11.263 -14.523 5.782 286 HG23 THR 38 2HG2 THR 38 10.048 -13.224 5.530 287 H THR 39 H THR 39 10.046 -11.065 3.802 288 HA THR 39 HA THR 39 7.899 -10.086 5.553 289 HB THR 39 HB THR 39 8.576 -9.108 2.731 290 HG1 THR 39 HG1 THR 39 9.530 -7.420 3.714 291 HG21 THR 39 3HG2 THR 39 6.409 -8.243 4.709 292 HG22 THR 39 1HG2 THR 39 6.763 -7.464 3.130 293 HG23 THR 39 2HG2 THR 39 6.148 -9.151 3.181 294 H ALA 40 H ALA 40 5.900 -11.116 5.255 295 HA ALA 40 HA ALA 40 5.352 -12.189 2.598 296 HB1 ALA 40 3HB ALA 40 5.069 -13.788 5.190 297 HB2 ALA 40 1HB ALA 40 4.454 -14.288 3.579 298 HB3 ALA 40 2HB ALA 40 6.221 -14.123 3.854 299 H ALA 41 H ALA 41 3.137 -12.092 2.025 300 HA ALA 41 HA ALA 41 1.353 -11.001 4.089 301 HB1 ALA 41 3HB ALA 41 1.830 -9.843 1.299 302 HB2 ALA 41 1HB ALA 41 0.552 -9.319 2.448 303 HB3 ALA 41 2HB ALA 41 2.284 -9.081 2.861 304 H THR 42 H THR 42 -0.860 -11.586 3.840 305 HA THR 42 HA THR 42 -1.535 -12.783 1.254 306 HB THR 42 HB THR 42 -2.438 -13.792 4.002 307 HG1 THR 42 HG1 THR 42 -1.303 -15.734 3.275 308 HG21 THR 42 3HG2 THR 42 -3.135 -14.746 1.181 309 HG22 THR 42 1HG2 THR 42 -3.625 -15.546 2.713 310 HG23 THR 42 2HG2 THR 42 -4.241 -13.905 2.319 311 H VAL 43 H VAL 43 -3.408 -11.917 0.345 312 HA VAL 43 HA VAL 43 -5.008 -10.217 2.128 313 HB VAL 43 HB VAL 43 -4.052 -9.575 -0.710 314 HG11 VAL 43 1HG1 VAL 43 -5.210 -7.414 -0.382 315 HG12 VAL 43 2HG1 VAL 43 -6.351 -8.800 -0.326 316 HG13 VAL 43 3HG1 VAL 43 -5.839 -7.996 1.196 317 HG21 VAL 43 3HG2 VAL 43 -2.302 -9.271 0.988 318 HG22 VAL 43 1HG2 VAL 43 -2.879 -7.685 0.375 319 HG23 VAL 43 2HG2 VAL 43 -3.420 -8.278 1.981 320 H ASP 44 H ASP 44 -7.223 -10.614 1.982 321 HA ASP 44 HA ASP 44 -8.211 -12.026 -0.377 322 HB2 ASP 44 2HB ASP 44 -8.989 -12.656 1.907 323 HB3 ASP 44 3HB ASP 44 -9.606 -11.017 2.150 324 H LEU 45 H LEU 45 -8.745 -10.854 -2.183 325 HA LEU 45 HA LEU 45 -8.884 -7.973 -1.903 326 HB2 LEU 45 2HB LEU 45 -8.837 -9.924 -4.247 327 HB3 LEU 45 3HB LEU 45 -9.069 -8.184 -4.464 328 HG LEU 45 HG LEU 45 -6.840 -7.817 -3.271 329 HD11 LEU 45 1HD1 LEU 45 -5.317 -9.752 -3.131 330 HD12 LEU 45 2HD1 LEU 45 -6.757 -9.969 -2.079 331 HD13 LEU 45 3HD1 LEU 45 -6.649 -10.841 -3.646 332 HD21 LEU 45 3HD2 LEU 45 -7.089 -7.739 -5.725 333 HD22 LEU 45 1HD2 LEU 45 -5.513 -8.459 -5.256 334 HD23 LEU 45 2HD2 LEU 45 -6.854 -9.517 -5.811 335 H ARG 46 H ARG 46 -10.924 -7.618 -0.817 336 HA ARG 46 HA ARG 46 -13.024 -7.276 -2.678 337 HB2 ARG 46 2HB ARG 46 -14.721 -8.676 -1.729 338 HB3 ARG 46 3HB ARG 46 -13.380 -9.653 -2.341 339 HG2 ARG 46 2HG ARG 46 -12.511 -9.853 0.009 340 HG3 ARG 46 3HG ARG 46 -13.934 -8.970 0.578 341 HD2 ARG 46 2HD ARG 46 -15.404 -10.703 -0.186 342 HD3 ARG 46 3HD ARG 46 -14.078 -11.544 -1.000 343 HE ARG 46 HE ARG 46 -13.357 -12.390 1.048 344 HH11 ARG 46 1HH1 ARG 46 -15.915 -10.040 1.593 345 HH12 ARG 46 2HH1 ARG 46 -16.183 -10.542 3.229 346 HH21 ARG 46 1HH2 ARG 46 -13.705 -13.013 3.149 347 HH22 ARG 46 2HH2 ARG 46 -14.915 -12.247 4.123 348 H GLU 47 H GLU 47 -14.886 -6.082 -1.688 349 HA GLU 47 HA GLU 47 -14.124 -4.393 0.452 350 HB2 GLU 47 2HB GLU 47 -15.763 -3.855 -1.385 351 HB3 GLU 47 3HB GLU 47 -16.895 -5.017 -0.679 352 HG2 GLU 47 2HG GLU 47 -17.147 -3.688 1.330 353 HG3 GLU 47 3HG GLU 47 -15.798 -2.635 0.885 354 H GLY 48 H GLY 48 -14.177 -4.750 2.649 355 HA2 GLY 48 2HA GLY 48 -14.973 -5.649 4.612 356 HA3 GLY 48 3HA GLY 48 -16.020 -6.748 3.705 357 H GLY 49 H GLY 49 -13.226 -7.156 2.006 358 HA2 GLY 49 2HA GLY 49 -12.686 -9.662 3.196 359 HA3 GLY 49 3HA GLY 49 -11.761 -8.852 1.925 360 H ALA 50 H ALA 50 -10.794 -10.415 4.330 361 HA ALA 50 HA ALA 50 -9.477 -8.265 5.842 362 HB1 ALA 50 3HB ALA 50 -9.730 -11.272 6.340 363 HB2 ALA 50 1HB ALA 50 -8.899 -10.098 7.415 364 HB3 ALA 50 2HB ALA 50 -10.672 -9.976 7.152 365 H PHE 51 H PHE 51 -7.125 -8.474 6.307 366 HA PHE 51 HA PHE 51 -5.662 -10.286 4.563 367 HB2 PHE 51 2HB PHE 51 -4.262 -8.453 3.665 368 HB3 PHE 51 3HB PHE 51 -5.943 -8.324 3.130 369 HD1 PHE 51 HD1 PHE 51 -7.404 -6.535 3.975 370 HD2 PHE 51 HD2 PHE 51 -3.294 -6.822 5.198 371 HE1 PHE 51 HE1 PHE 51 -7.495 -4.214 4.830 372 HE2 PHE 51 HE2 PHE 51 -3.389 -4.500 6.053 373 HZ PHE 51 HZ PHE 51 -5.487 -3.194 5.873 374 H SER 52 H SER 52 -3.263 -10.261 5.115 375 HA SER 52 HA SER 52 -2.647 -9.120 7.722 376 HB2 SER 52 2HB SER 52 -3.735 -11.244 8.297 377 HB3 SER 52 3HB SER 52 -2.710 -12.117 7.150 378 HG SER 52 HG SER 52 -1.497 -10.525 9.185 379 H SER 53 H SER 53 -0.414 -8.797 8.023 380 HA SER 53 HA SER 53 1.336 -9.934 5.938 381 HB2 SER 53 2HB SER 53 0.826 -7.607 5.335 382 HB3 SER 53 3HB SER 53 1.255 -7.060 6.961 383 HG SER 53 HG SER 53 2.978 -6.766 5.444 384 H ARG 54 H ARG 54 3.023 -11.050 6.823 385 HA ARG 54 HA ARG 54 3.640 -10.454 9.634 386 HB2 ARG 54 2HB ARG 54 2.798 -12.718 9.179 387 HB3 ARG 54 3HB ARG 54 4.134 -12.989 8.052 388 HG2 ARG 54 2HG ARG 54 5.752 -12.630 9.930 389 HG3 ARG 54 3HG ARG 54 4.389 -12.443 11.041 390 HD2 ARG 54 2HD ARG 54 3.652 -14.712 10.566 391 HD3 ARG 54 3HD ARG 54 4.950 -14.908 9.380 392 HE ARG 54 HE ARG 54 6.496 -15.158 11.112 393 HH11 ARG 54 1HH1 ARG 54 3.373 -14.253 12.449 394 HH12 ARG 54 2HH1 ARG 54 3.806 -14.706 14.064 395 HH21 ARG 54 1HH2 ARG 54 7.039 -15.721 13.187 396 HH22 ARG 54 2HH2 ARG 54 5.910 -15.547 14.489 397 H MET 55 H MET 55 5.596 -9.544 10.132 398 HA MET 55 HA MET 55 7.745 -9.867 8.130 399 HB2 MET 55 2HB MET 55 6.896 -7.566 8.112 400 HB3 MET 55 3HB MET 55 7.029 -7.464 9.873 401 HG2 MET 55 2HG MET 55 9.486 -7.659 9.730 402 HG3 MET 55 3HG MET 55 9.391 -7.861 7.976 403 HE1 MET 55 3HE MET 55 8.985 -5.609 11.022 404 HE2 MET 55 1HE MET 55 8.667 -3.969 10.365 405 HE3 MET 55 2HE MET 55 7.363 -5.204 10.365 406 H GLU 56 H GLU 56 9.718 -10.606 8.904 407 HA GLU 56 HA GLU 56 10.019 -10.669 11.835 408 HB2 GLU 56 2HB GLU 56 10.620 -12.867 9.800 409 HB3 GLU 56 3HB GLU 56 11.221 -12.875 11.463 410 HG2 GLU 56 2HG GLU 56 8.853 -12.846 12.298 411 HG3 GLU 56 3HG GLU 56 8.279 -12.897 10.626 412 H ALA 57 H ALA 57 12.154 -10.296 12.618 413 HA ALA 57 HA ALA 57 14.020 -9.167 10.735 414 HB1 ALA 57 3HB ALA 57 14.219 -9.817 13.716 415 HB2 ALA 57 1HB ALA 57 15.419 -8.878 12.765 416 HB3 ALA 57 2HB ALA 57 13.757 -8.237 12.997 417 H LYS 58 H LYS 58 15.816 -10.127 9.819 418 HA LYS 58 HA LYS 58 15.917 -12.905 9.643 419 HB2 LYS 58 2HB LYS 58 16.857 -11.291 7.994 420 HB3 LYS 58 3HB LYS 58 18.102 -10.823 9.160 421 HG2 LYS 58 2HG LYS 58 19.119 -12.364 7.626 422 HG3 LYS 58 3HG LYS 58 18.922 -13.223 9.159 423 HD2 LYS 58 2HD LYS 58 16.886 -14.341 8.326 424 HD3 LYS 58 3HD LYS 58 16.939 -13.398 6.831 425 HE2 LYS 58 2HE LYS 58 19.160 -14.417 6.272 426 HE3 LYS 58 3HE LYS 58 19.094 -15.369 7.761 427 HZ1 LYS 58 3HZ LYS 58 17.154 -15.543 5.545 428 HZ2 LYS 58 1HZ LYS 58 18.329 -16.627 5.874 429 HZ3 LYS 58 2HZ LYS 58 17.093 -16.421 6.920 430 H ASP 59 H ASP 59 17.433 -10.644 11.989 431 HA ASP 59 HA ASP 59 19.331 -12.604 12.894 432 HB2 ASP 59 2HB ASP 59 19.957 -10.925 14.502 433 HB3 ASP 59 3HB ASP 59 19.713 -10.126 12.943 434 H GLY 60 H GLY 60 15.917 -12.178 13.368 435 HA2 GLY 60 2HA GLY 60 14.648 -13.790 14.327 436 HA3 GLY 60 3HA GLY 60 16.101 -14.535 15.005 437 H SER 61 H SER 61 15.878 -11.108 15.688 438 HA SER 61 HA SER 61 15.631 -11.792 18.492 439 HB2 SER 61 2HB SER 61 16.247 -9.455 18.836 440 HB3 SER 61 3HB SER 61 17.348 -10.211 17.676 441 HG SER 61 HG SER 61 16.342 -9.155 15.982 442 H MET 62 H MET 62 13.588 -10.431 15.897 443 HA MET 62 HA MET 62 11.393 -10.113 17.754 444 HB2 MET 62 2HB MET 62 11.067 -7.737 17.285 445 HB3 MET 62 3HB MET 62 12.626 -8.003 18.077 446 HG2 MET 62 2HG MET 62 13.720 -7.915 15.783 447 HG3 MET 62 3HG MET 62 12.148 -7.459 15.111 448 HE1 MET 62 3HE MET 62 15.333 -5.389 17.226 449 HE2 MET 62 1HE MET 62 14.138 -5.391 18.567 450 HE3 MET 62 2HE MET 62 14.619 -6.938 17.790 451 H GLY 63 H GLY 63 9.323 -9.605 16.582 452 HA2 GLY 63 2HA GLY 63 9.448 -9.163 13.756 453 HA3 GLY 63 3HA GLY 63 8.930 -10.808 14.148 454 H PHE 64 H PHE 64 7.202 -8.951 12.805 455 HA PHE 64 HA PHE 64 5.269 -8.307 14.933 456 HB2 PHE 64 2HB PHE 64 6.049 -6.555 12.553 457 HB3 PHE 64 3HB PHE 64 4.751 -6.214 13.705 458 HD1 PHE 64 HD1 PHE 64 5.268 -5.573 16.035 459 HD2 PHE 64 HD2 PHE 64 8.379 -6.233 13.146 460 HE1 PHE 64 HE1 PHE 64 6.882 -4.406 17.504 461 HE2 PHE 64 HE2 PHE 64 9.991 -5.069 14.619 462 HZ PHE 64 HZ PHE 64 9.247 -4.151 16.798 463 H ASP 65 H ASP 65 3.110 -8.770 14.433 464 HA ASP 65 HA ASP 65 2.614 -9.658 11.660 465 HB2 ASP 65 2HB ASP 65 2.468 -11.465 13.379 466 HB3 ASP 65 3HB ASP 65 1.264 -10.520 14.265 467 H PHE 66 H PHE 66 1.143 -8.467 10.499 468 HA PHE 66 HA PHE 66 -0.440 -6.518 12.054 469 HB2 PHE 66 2HB PHE 66 0.774 -6.316 9.254 470 HB3 PHE 66 3HB PHE 66 -0.304 -5.114 9.976 471 HD1 PHE 66 HD1 PHE 66 0.448 -3.765 11.929 472 HD2 PHE 66 HD2 PHE 66 3.092 -6.468 9.892 473 HE1 PHE 66 HE1 PHE 66 2.393 -2.646 12.973 474 HE2 PHE 66 HE2 PHE 66 5.039 -5.349 10.937 475 HZ PHE 66 HZ PHE 66 4.693 -3.435 12.475 476 H ALA 67 H ALA 67 -2.654 -6.369 11.647 477 HA ALA 67 HA ALA 67 -3.662 -7.986 9.397 478 HB1 ALA 67 3HB ALA 67 -4.812 -7.745 12.220 479 HB2 ALA 67 1HB ALA 67 -5.592 -8.588 10.839 480 HB3 ALA 67 2HB ALA 67 -4.041 -9.201 11.505 481 H GLY 68 H GLY 68 -5.676 -7.203 8.425 482 HA2 GLY 68 2HA GLY 68 -6.821 -4.770 9.497 483 HA3 GLY 68 3HA GLY 68 -5.963 -4.564 7.965 484 H THR 69 H THR 69 -8.698 -4.010 8.026 485 HA THR 69 HA THR 69 -9.636 -6.161 6.288 486 HB THR 69 HB THR 69 -11.313 -4.822 8.475 487 HG1 THR 69 HG1 THR 69 -11.403 -7.041 9.288 488 HG21 THR 69 3HG2 THR 69 -12.029 -6.957 6.403 489 HG22 THR 69 1HG2 THR 69 -13.096 -6.375 7.726 490 HG23 THR 69 2HG2 THR 69 -12.601 -5.254 6.412 491 H TYR 70 H TYR 70 -10.970 -5.423 4.532 492 HA TYR 70 HA TYR 70 -10.562 -2.620 3.948 493 HB2 TYR 70 2HB TYR 70 -11.801 -4.955 2.404 494 HB3 TYR 70 3HB TYR 70 -11.645 -3.317 1.754 495 HD1 TYR 70 HD1 TYR 70 -9.140 -2.301 1.990 496 HD2 TYR 70 HD2 TYR 70 -10.122 -6.482 1.882 497 HE1 TYR 70 HE1 TYR 70 -6.842 -2.818 1.228 498 HE2 TYR 70 HE2 TYR 70 -7.822 -7.004 1.128 499 HH TYR 70 HH TYR 70 -5.484 -5.830 1.380 500 H THR 71 H THR 71 -12.168 -1.019 3.743 501 HA THR 71 HA THR 71 -14.649 -1.767 5.094 502 HB THR 71 HB THR 71 -14.872 0.648 5.573 503 HG1 THR 71 HG1 THR 71 -13.115 2.071 4.946 504 HG21 THR 71 3HG2 THR 71 -12.080 -0.435 6.196 505 HG22 THR 71 1HG2 THR 71 -12.905 0.908 7.058 506 HG23 THR 71 2HG2 THR 71 -13.576 -0.756 7.136 507 H LYS 72 H LYS 72 -13.324 -0.483 2.024 508 HA LYS 72 HA LYS 72 -15.889 -0.521 0.772 509 HB2 LYS 72 2HB LYS 72 -16.110 1.579 2.065 510 HB3 LYS 72 3HB LYS 72 -14.582 2.170 1.400 511 HG2 LYS 72 2HG LYS 72 -15.577 2.137 -0.895 512 HG3 LYS 72 3HG LYS 72 -17.108 1.569 -0.217 513 HD2 LYS 72 2HD LYS 72 -15.728 4.180 0.599 514 HD3 LYS 72 3HD LYS 72 -17.006 4.071 -0.618 515 HE2 LYS 72 2HE LYS 72 -18.507 3.011 1.137 516 HE3 LYS 72 3HE LYS 72 -17.238 3.295 2.336 517 HZ1 LYS 72 3HZ LYS 72 -18.581 5.391 0.751 518 HZ2 LYS 72 1HZ LYS 72 -18.856 5.059 2.326 519 HZ3 LYS 72 2HZ LYS 72 -17.409 5.653 1.857 520 H VAL 73 H VAL 73 -15.650 -0.619 -1.488 521 HA VAL 73 HA VAL 73 -13.136 0.421 -2.554 522 HB VAL 73 HB VAL 73 -14.362 -2.301 -3.240 523 HG11 VAL 73 1HG1 VAL 73 -12.441 -2.540 -4.781 524 HG12 VAL 73 2HG1 VAL 73 -13.499 -1.164 -5.241 525 HG13 VAL 73 3HG1 VAL 73 -11.938 -0.857 -4.409 526 HG21 VAL 73 3HG2 VAL 73 -13.095 -2.312 -1.134 527 HG22 VAL 73 1HG2 VAL 73 -12.208 -3.201 -2.418 528 HG23 VAL 73 2HG2 VAL 73 -11.696 -1.543 -1.956 529 H VAL 74 H VAL 74 -13.529 1.789 -4.281 530 HA VAL 74 HA VAL 74 -16.154 1.511 -5.573 531 HB VAL 74 HB VAL 74 -14.765 4.087 -4.672 532 HG11 VAL 74 1HG1 VAL 74 -16.778 5.230 -5.549 533 HG12 VAL 74 2HG1 VAL 74 -15.879 4.372 -6.845 534 HG13 VAL 74 3HG1 VAL 74 -17.389 3.663 -6.179 535 HG21 VAL 74 3HG2 VAL 74 -15.855 2.875 -2.832 536 HG22 VAL 74 1HG2 VAL 74 -16.764 4.369 -3.240 537 HG23 VAL 74 2HG2 VAL 74 -17.374 2.769 -3.784 538 H GLU 75 H GLU 75 -16.059 1.489 -7.815 539 HA GLU 75 HA GLU 75 -15.208 1.565 -9.868 540 HB2 GLU 75 2HB GLU 75 -14.066 4.166 -8.746 541 HB3 GLU 75 3HB GLU 75 -14.043 3.733 -10.461 542 HG2 GLU 75 2HG GLU 75 -16.541 3.634 -10.465 543 HG3 GLU 75 3HG GLU 75 -16.559 4.078 -8.753 544 H ASN 76 H ASN 76 -13.612 -0.034 -7.998 545 HA ASN 76 HA ASN 76 -11.536 -0.524 -7.301 546 HB2 ASN 76 2HB ASN 76 -11.161 -0.406 -10.318 547 HB3 ASN 76 3HB ASN 76 -10.064 -1.211 -9.187 548 HD21 ASN 76 1HD2 ASN 76 -12.424 -1.739 -11.329 549 HD22 ASN 76 2HD2 ASN 76 -13.033 -3.248 -10.734 550 H LYS 77 H LYS 77 -11.463 1.983 -6.471 551 HA LYS 77 HA LYS 77 -9.340 3.429 -7.817 552 HB2 LYS 77 2HB LYS 77 -11.316 3.841 -9.262 553 HB3 LYS 77 3HB LYS 77 -12.249 4.369 -7.856 554 HG2 LYS 77 2HG LYS 77 -10.697 6.282 -7.525 555 HG3 LYS 77 3HG LYS 77 -9.723 5.744 -8.900 556 HD2 LYS 77 2HD LYS 77 -11.721 5.999 -10.401 557 HD3 LYS 77 3HD LYS 77 -12.676 6.563 -9.023 558 HE2 LYS 77 2HE LYS 77 -11.066 8.465 -8.704 559 HE3 LYS 77 3HE LYS 77 -10.146 7.909 -10.108 560 HZ1 LYS 77 3HZ LYS 77 -12.966 8.773 -10.158 561 HZ2 LYS 77 1HZ LYS 77 -11.690 9.640 -10.693 562 HZ3 LYS 77 2HZ LYS 77 -12.116 8.260 -11.454 563 H ARG 78 H ARG 78 -11.690 2.934 -5.197 564 HA ARG 78 HA ARG 78 -9.998 4.637 -3.538 565 HB2 ARG 78 2HB ARG 78 -11.748 6.145 -4.115 566 HB3 ARG 78 3HB ARG 78 -12.996 4.933 -3.797 567 HG2 ARG 78 2HG ARG 78 -12.541 4.979 -1.416 568 HG3 ARG 78 3HG ARG 78 -11.111 5.993 -1.652 569 HD2 ARG 78 2HD ARG 78 -13.977 6.779 -2.213 570 HD3 ARG 78 3HD ARG 78 -13.022 7.241 -0.799 571 HE ARG 78 HE ARG 78 -11.688 8.662 -2.193 572 HH11 ARG 78 1HH1 ARG 78 -14.376 7.194 -3.917 573 HH12 ARG 78 2HH1 ARG 78 -14.369 8.385 -5.175 574 HH21 ARG 78 1HH2 ARG 78 -11.682 10.171 -3.818 575 HH22 ARG 78 2HH2 ARG 78 -12.822 10.094 -5.120 576 H ILE 79 H ILE 79 -9.478 3.629 -1.614 577 HA ILE 79 HA ILE 79 -11.106 1.379 -0.781 578 HB ILE 79 HB ILE 79 -9.620 0.446 -2.553 579 HG12 ILE 79 2HG1 ILE 79 -8.689 -0.452 0.209 580 HG13 ILE 79 3HG1 ILE 79 -10.303 -0.806 -0.421 581 HG21 ILE 79 1HG2 ILE 79 -7.177 0.361 -2.176 582 HG22 ILE 79 2HG2 ILE 79 -7.767 2.047 -2.359 583 HG23 ILE 79 3HG2 ILE 79 -7.368 1.407 -0.729 584 HD11 ILE 79 3HD1 ILE 79 -7.665 -1.652 -1.702 585 HD12 ILE 79 1HD1 ILE 79 -8.784 -2.701 -0.767 586 HD13 ILE 79 2HD1 ILE 79 -9.305 -2.011 -2.341 587 H GLU 80 H GLU 80 -11.066 1.235 1.456 588 HA GLU 80 HA GLU 80 -8.834 2.618 2.808 589 HB2 GLU 80 2HB GLU 80 -10.882 3.976 2.896 590 HB3 GLU 80 3HB GLU 80 -11.815 2.592 3.479 591 HG2 GLU 80 2HG GLU 80 -10.327 2.543 5.539 592 HG3 GLU 80 3HG GLU 80 -9.566 4.033 4.966 593 H TYR 81 H TYR 81 -7.959 1.598 4.650 594 HA TYR 81 HA TYR 81 -9.153 -0.878 5.562 595 HB2 TYR 81 2HB TYR 81 -7.154 -2.223 4.982 596 HB3 TYR 81 3HB TYR 81 -8.011 -1.652 3.544 597 HD1 TYR 81 HD1 TYR 81 -4.970 -1.197 5.631 598 HD2 TYR 81 HD2 TYR 81 -6.974 -0.111 1.994 599 HE1 TYR 81 HE1 TYR 81 -2.870 -0.207 4.775 600 HE2 TYR 81 HE2 TYR 81 -4.876 0.880 1.131 601 HH TYR 81 HH TYR 81 -2.625 0.987 1.428 602 H ALA 82 H ALA 82 -7.593 -1.930 7.271 603 HA ALA 82 HA ALA 82 -6.191 0.260 8.670 604 HB1 ALA 82 3HB ALA 82 -7.755 -2.112 9.802 605 HB2 ALA 82 1HB ALA 82 -6.831 -0.910 10.765 606 HB3 ALA 82 2HB ALA 82 -8.268 -0.391 9.821 607 H PHE 83 H PHE 83 -4.112 -0.146 9.455 608 HA PHE 83 HA PHE 83 -3.071 -2.845 8.859 609 HB2 PHE 83 2HB PHE 83 -2.304 -1.050 7.267 610 HB3 PHE 83 3HB PHE 83 -1.630 -0.157 8.637 611 HD1 PHE 83 HD1 PHE 83 -1.445 -3.484 6.906 612 HD2 PHE 83 HD2 PHE 83 0.556 -0.581 9.362 613 HE1 PHE 83 HE1 PHE 83 0.663 -4.766 6.707 614 HE2 PHE 83 HE2 PHE 83 2.665 -1.863 9.157 615 HZ PHE 83 HZ PHE 83 2.720 -3.959 7.829 616 H GLY 84 H GLY 84 -3.046 -3.786 10.920 617 HA2 GLY 84 2HA GLY 84 -2.377 -4.129 13.034 618 HA3 GLY 84 3HA GLY 84 -1.125 -2.905 12.785 619 H ASP 85 H ASP 85 -1.220 -1.308 14.326 620 HA ASP 85 HA ASP 85 -3.818 -0.759 15.543 621 HB2 ASP 85 2HB ASP 85 -2.487 0.448 17.225 622 HB3 ASP 85 3HB ASP 85 -1.922 -1.217 17.028 623 H ARG 86 H ARG 86 -2.683 0.211 12.718 624 HA ARG 86 HA ARG 86 -3.598 2.961 13.181 625 HB2 ARG 86 2HB ARG 86 -1.227 2.158 11.480 626 HB3 ARG 86 3HB ARG 86 -2.006 3.745 11.453 627 HG2 ARG 86 2HG ARG 86 -0.746 2.487 13.928 628 HG3 ARG 86 3HG ARG 86 0.087 3.606 12.841 629 HD2 ARG 86 2HD ARG 86 -1.676 5.298 13.314 630 HD3 ARG 86 3HD ARG 86 -2.383 4.180 14.488 631 HE ARG 86 HE ARG 86 0.060 5.753 14.793 632 HH11 ARG 86 1HH1 ARG 86 -1.919 3.144 16.069 633 HH12 ARG 86 2HH1 ARG 86 -1.181 3.198 17.635 634 HH21 ARG 86 1HH2 ARG 86 0.989 5.816 16.807 635 HH22 ARG 86 2HH2 ARG 86 0.487 4.730 18.060 636 H THR 87 H THR 87 -4.012 3.987 10.790 637 HA THR 87 HA THR 87 -5.362 1.912 9.226 638 HB THR 87 HB THR 87 -7.347 3.366 8.998 639 HG1 THR 87 HG1 THR 87 -7.497 5.247 10.423 640 HG21 THR 87 3HG2 THR 87 -6.564 2.875 11.914 641 HG22 THR 87 1HG2 THR 87 -8.231 3.141 11.303 642 HG23 THR 87 2HG2 THR 87 -7.314 1.681 10.803 643 H ALA 88 H ALA 88 -5.943 2.694 6.971 644 HA ALA 88 HA ALA 88 -4.585 5.129 6.132 645 HB1 ALA 88 3HB ALA 88 -3.920 2.359 5.023 646 HB2 ALA 88 1HB ALA 88 -3.370 3.924 4.335 647 HB3 ALA 88 2HB ALA 88 -2.822 3.420 5.969 648 H LYS 89 H LYS 89 -5.328 5.908 4.043 649 HA LYS 89 HA LYS 89 -7.465 4.298 2.828 650 HB2 LYS 89 2HB LYS 89 -8.473 6.059 4.292 651 HB3 LYS 89 3HB LYS 89 -7.572 7.298 3.408 652 HG2 LYS 89 2HG LYS 89 -8.794 6.780 1.338 653 HG3 LYS 89 3HG LYS 89 -9.615 5.423 2.120 654 HD2 LYS 89 2HD LYS 89 -10.680 6.993 3.745 655 HD3 LYS 89 3HD LYS 89 -9.844 8.355 2.987 656 HE2 LYS 89 2HE LYS 89 -11.003 7.903 0.838 657 HE3 LYS 89 3HE LYS 89 -11.796 6.487 1.541 658 HZ1 LYS 89 3HZ LYS 89 -12.153 9.268 2.459 659 HZ2 LYS 89 1HZ LYS 89 -13.223 8.408 1.575 660 HZ3 LYS 89 2HZ LYS 89 -12.885 7.962 3.109 661 H VAL 90 H VAL 90 -7.311 4.173 0.595 662 HA VAL 90 HA VAL 90 -5.150 5.805 -0.549 663 HB VAL 90 HB VAL 90 -6.014 2.958 -1.275 664 HG11 VAL 90 1HG1 VAL 90 -3.995 2.965 -2.710 665 HG12 VAL 90 2HG1 VAL 90 -5.176 4.221 -3.212 666 HG13 VAL 90 3HG1 VAL 90 -3.708 4.687 -2.289 667 HG21 VAL 90 3HG2 VAL 90 -4.869 3.050 0.898 668 HG22 VAL 90 1HG2 VAL 90 -3.818 2.291 -0.346 669 HG23 VAL 90 2HG2 VAL 90 -3.524 3.988 0.164 670 H GLU 91 H GLU 91 -5.588 6.936 -2.460 671 HA GLU 91 HA GLU 91 -8.084 6.201 -3.855 672 HB2 GLU 91 2HB GLU 91 -6.865 8.966 -3.403 673 HB3 GLU 91 3HB GLU 91 -8.219 8.630 -4.490 674 HG2 GLU 91 2HG GLU 91 -9.565 7.809 -2.545 675 HG3 GLU 91 3HG GLU 91 -8.213 8.172 -1.464 676 H PHE 92 H PHE 92 -8.009 6.210 -6.158 677 HA PHE 92 HA PHE 92 -5.296 6.582 -7.268 678 HB2 PHE 92 2HB PHE 92 -7.531 4.673 -8.114 679 HB3 PHE 92 3HB PHE 92 -6.011 4.905 -8.987 680 HD1 PHE 92 HD1 PHE 92 -7.502 3.679 -5.804 681 HD2 PHE 92 HD2 PHE 92 -3.988 3.852 -8.269 682 HE1 PHE 92 HE1 PHE 92 -6.425 1.953 -4.392 683 HE2 PHE 92 HE2 PHE 92 -2.914 2.125 -6.858 684 HZ PHE 92 HZ PHE 92 -4.132 1.173 -4.917 685 H LEU 93 H LEU 93 -5.099 8.215 -8.745 686 HA LEU 93 HA LEU 93 -7.621 9.282 -9.851 687 HB2 LEU 93 2HB LEU 93 -4.948 10.683 -9.356 688 HB3 LEU 93 3HB LEU 93 -6.426 11.434 -9.973 689 HG LEU 93 HG LEU 93 -6.114 10.203 -7.182 690 HD11 LEU 93 1HD1 LEU 93 -6.173 12.543 -6.407 691 HD12 LEU 93 2HD1 LEU 93 -4.764 12.239 -7.479 692 HD13 LEU 93 3HD1 LEU 93 -6.202 13.110 -8.111 693 HD21 LEU 93 3HD2 LEU 93 -8.411 10.066 -8.077 694 HD22 LEU 93 1HD2 LEU 93 -8.299 11.283 -6.760 695 HD23 LEU 93 2HD2 LEU 93 -8.366 11.817 -8.474 696 H GLU 94 H GLU 94 -7.906 9.168 -12.042 697 HA GLU 94 HA GLU 94 -5.760 8.151 -13.667 698 HB2 GLU 94 2HB GLU 94 -8.144 7.494 -13.972 699 HB3 GLU 94 3HB GLU 94 -8.559 9.169 -14.360 700 HG2 GLU 94 2HG GLU 94 -7.076 9.076 -16.362 701 HG3 GLU 94 3HG GLU 94 -6.652 7.404 -15.973 702 H ALA 95 H ALA 95 -4.199 9.383 -14.631 703 HA ALA 95 HA ALA 95 -4.906 12.186 -15.235 704 HB1 ALA 95 3HB ALA 95 -2.193 10.884 -14.694 705 HB2 ALA 95 1HB ALA 95 -2.462 12.603 -15.139 706 HB3 ALA 95 2HB ALA 95 -3.095 11.969 -13.582 707 HA PRO 96 HA PRO 96 -4.293 11.416 -19.545 708 HB2 PRO 96 2HB PRO 96 -2.915 13.731 -20.291 709 HB3 PRO 96 3HB PRO 96 -4.647 13.752 -19.937 710 HG2 PRO 96 2HG PRO 96 -2.321 14.477 -18.123 711 HG3 PRO 96 3HG PRO 96 -3.844 15.341 -18.373 712 HD2 PRO 96 2HD PRO 96 -3.518 13.760 -16.197 713 HD3 PRO 96 3HD PRO 96 -5.084 13.826 -17.016 714 H GLN 97 H GLN 97 -1.438 12.092 -17.520 715 HA GLN 97 HA GLN 97 0.236 11.014 -19.677 716 HB2 GLN 97 2HB GLN 97 0.917 12.423 -17.047 717 HB3 GLN 97 3HB GLN 97 2.106 11.834 -18.215 718 HG2 GLN 97 2HG GLN 97 1.164 13.376 -19.939 719 HG3 GLN 97 3HG GLN 97 -0.006 13.974 -18.756 720 HE21 GLN 97 1HE2 GLN 97 1.206 16.012 -19.525 721 HE22 GLN 97 2HE2 GLN 97 2.566 16.504 -18.571 722 H GLY 98 H GLY 98 -1.462 9.975 -16.856 723 HA2 GLY 98 2HA GLY 98 -0.455 7.408 -16.842 724 HA3 GLY 98 3HA GLY 98 0.564 8.320 -15.721 725 H VAL 99 H VAL 99 -0.509 6.603 -14.201 726 HA VAL 99 HA VAL 99 -3.014 7.781 -13.206 727 HB VAL 99 HB VAL 99 -1.893 4.947 -12.946 728 HG11 VAL 99 1HG1 VAL 99 -3.945 4.441 -11.656 729 HG12 VAL 99 2HG1 VAL 99 -2.912 5.652 -10.823 730 HG13 VAL 99 3HG1 VAL 99 -4.391 6.180 -11.694 731 HG21 VAL 99 3HG2 VAL 99 -2.974 5.428 -15.100 732 HG22 VAL 99 1HG2 VAL 99 -3.980 4.312 -14.116 733 HG23 VAL 99 2HG2 VAL 99 -4.429 6.046 -14.246 734 H THR 100 H THR 100 -3.019 8.636 -11.121 735 HA THR 100 HA THR 100 -0.426 8.545 -9.775 736 HB THR 100 HB THR 100 -2.820 10.437 -9.513 737 HG1 THR 100 HG1 THR 100 -0.094 10.876 -10.438 738 HG21 THR 100 3HG2 THR 100 -0.110 10.477 -8.098 739 HG22 THR 100 1HG2 THR 100 -1.364 11.760 -8.009 740 HG23 THR 100 2HG2 THR 100 -1.699 10.129 -7.337 741 H VAL 101 H VAL 101 -0.178 7.604 -7.743 742 HA VAL 101 HA VAL 101 -2.639 6.496 -6.586 743 HB VAL 101 HB VAL 101 0.274 5.597 -6.286 744 HG11 VAL 101 1HG1 VAL 101 -0.688 3.634 -5.125 745 HG12 VAL 101 2HG1 VAL 101 -1.048 5.167 -4.259 746 HG13 VAL 101 3HG1 VAL 101 -2.322 4.371 -5.243 747 HG21 VAL 101 3HG2 VAL 101 -0.632 5.131 -8.522 748 HG22 VAL 101 1HG2 VAL 101 -0.448 3.614 -7.578 749 HG23 VAL 101 2HG2 VAL 101 -2.073 4.349 -7.790 750 H ARG 102 H ARG 102 -3.338 7.434 -4.695 751 HA ARG 102 HA ARG 102 -1.314 8.919 -3.156 752 HB2 ARG 102 2HB ARG 102 -2.825 10.481 -4.073 753 HB3 ARG 102 3HB ARG 102 -4.234 9.492 -3.668 754 HG2 ARG 102 2HG ARG 102 -3.815 9.868 -1.254 755 HG3 ARG 102 3HG ARG 102 -2.389 10.837 -1.646 756 HD2 ARG 102 2HD ARG 102 -5.202 11.488 -2.543 757 HD3 ARG 102 3HD ARG 102 -4.446 12.121 -1.075 758 HE ARG 102 HE ARG 102 -2.664 12.842 -3.005 759 HH11 ARG 102 1HH1 ARG 102 -6.153 13.206 -2.790 760 HH12 ARG 102 2HH1 ARG 102 -6.166 14.691 -3.682 761 HH21 ARG 102 1HH2 ARG 102 -2.698 14.735 -4.157 762 HH22 ARG 102 2HH2 ARG 102 -4.183 15.570 -4.468 763 H VAL 103 H VAL 103 -0.822 8.088 -1.175 764 HA VAL 103 HA VAL 103 -2.910 6.454 0.097 765 HB VAL 103 HB VAL 103 0.134 6.148 0.243 766 HG11 VAL 103 1HG1 VAL 103 -0.353 4.131 1.592 767 HG12 VAL 103 2HG1 VAL 103 -0.947 5.627 2.389 768 HG13 VAL 103 3HG1 VAL 103 -2.103 4.534 1.556 769 HG21 VAL 103 3HG2 VAL 103 -0.808 5.355 -1.884 770 HG22 VAL 103 1HG2 VAL 103 -0.273 3.974 -0.868 771 HG23 VAL 103 2HG2 VAL 103 -2.020 4.371 -0.995 772 H SER 104 H SER 104 -3.670 7.327 2.004 773 HA SER 104 HA SER 104 -1.781 9.008 3.532 774 HB2 SER 104 2HB SER 104 -4.821 9.097 3.294 775 HB3 SER 104 3HB SER 104 -3.898 10.001 4.502 776 HG SER 104 HG SER 104 -4.363 11.261 2.617 777 H PHE 105 H PHE 105 -1.309 8.395 5.629 778 HA PHE 105 HA PHE 105 -2.959 6.302 6.834 779 HB2 PHE 105 2HB PHE 105 -1.042 4.880 7.259 780 HB3 PHE 105 3HB PHE 105 -1.181 5.151 5.517 781 HD1 PHE 105 HD1 PHE 105 0.377 6.772 4.382 782 HD2 PHE 105 HD2 PHE 105 0.891 5.580 8.476 783 HE1 PHE 105 HE1 PHE 105 2.722 7.560 4.317 784 HE2 PHE 105 HE2 PHE 105 3.238 6.370 8.410 785 HZ PHE 105 HZ PHE 105 4.156 7.363 6.331 786 H VAL 106 H VAL 106 -2.540 6.047 9.182 787 HA VAL 106 HA VAL 106 -1.880 8.608 10.314 788 HB VAL 106 HB VAL 106 -2.764 5.968 11.594 789 HG11 VAL 106 1HG1 VAL 106 -3.295 7.355 13.575 790 HG12 VAL 106 2HG1 VAL 106 -1.542 7.393 13.184 791 HG13 VAL 106 3HG1 VAL 106 -2.589 8.789 12.756 792 HG21 VAL 106 3HG2 VAL 106 -4.449 6.911 10.073 793 HG22 VAL 106 1HG2 VAL 106 -4.969 7.078 11.784 794 HG23 VAL 106 2HG2 VAL 106 -4.323 8.501 10.899 795 H ALA 107 H ALA 107 -0.066 9.118 11.591 796 HA ALA 107 HA ALA 107 2.219 7.477 11.131 797 HB1 ALA 107 3HB ALA 107 1.783 9.954 12.869 798 HB2 ALA 107 1HB ALA 107 3.375 9.240 12.442 799 HB3 ALA 107 2HB ALA 107 2.329 9.936 11.158 800 H GLU 108 H GLU 108 3.500 6.290 12.634 801 HA GLU 108 HA GLU 108 2.084 5.511 15.064 802 HB2 GLU 108 2HB GLU 108 4.660 4.510 13.757 803 HB3 GLU 108 3HB GLU 108 3.935 3.833 15.221 804 HG2 GLU 108 2HG GLU 108 1.904 3.195 13.937 805 HG3 GLU 108 3HG GLU 108 2.595 3.905 12.472 806 H THR 109 H THR 109 2.661 6.173 17.119 807 HA THR 109 HA THR 109 4.306 8.414 17.363 808 HB THR 109 HB THR 109 4.025 8.073 19.811 809 HG1 THR 109 HG1 THR 109 2.792 6.177 20.497 810 HG21 THR 109 3HG2 THR 109 1.499 7.491 18.188 811 HG22 THR 109 1HG2 THR 109 1.548 8.126 19.867 812 HG23 THR 109 2HG2 THR 109 2.199 9.112 18.515 813 H GLU 110 H GLU 110 5.084 4.977 17.270 814 HA GLU 110 HA GLU 110 7.418 5.190 18.939 815 HB2 GLU 110 2HB GLU 110 6.366 3.040 17.040 816 HB3 GLU 110 3HB GLU 110 7.827 2.860 18.021 817 HG2 GLU 110 2HG GLU 110 6.484 3.119 20.097 818 HG3 GLU 110 3HG GLU 110 5.019 3.348 19.134 819 H TYR 111 H TYR 111 6.658 5.987 15.622 820 HA TYR 111 HA TYR 111 9.544 5.985 15.014 821 HB2 TYR 111 2HB TYR 111 7.220 5.309 13.142 822 HB3 TYR 111 3HB TYR 111 8.912 5.477 12.655 823 HD1 TYR 111 HD1 TYR 111 10.573 3.764 13.247 824 HD2 TYR 111 HD2 TYR 111 6.463 3.349 14.414 825 HE1 TYR 111 HE1 TYR 111 10.961 1.374 13.757 826 HE2 TYR 111 HE2 TYR 111 6.845 0.958 14.928 827 HH TYR 111 HH TYR 111 8.290 -0.710 14.979 828 HA PRO 112 HA PRO 112 9.002 10.284 14.087 829 HB2 PRO 112 2HB PRO 112 11.011 9.736 11.869 830 HB3 PRO 112 3HB PRO 112 11.125 10.909 13.189 831 HG2 PRO 112 2HG PRO 112 12.611 8.698 13.280 832 HG3 PRO 112 3HG PRO 112 11.835 9.281 14.759 833 HD2 PRO 112 2HD PRO 112 10.971 6.998 12.929 834 HD3 PRO 112 3HD PRO 112 11.004 7.048 14.697 835 H VAL 113 H VAL 113 7.776 11.591 12.840 836 HA VAL 113 HA VAL 113 6.065 10.430 11.011 837 HB VAL 113 HB VAL 113 6.946 13.330 11.419 838 HG11 VAL 113 1HG1 VAL 113 4.938 13.974 10.122 839 HG12 VAL 113 2HG1 VAL 113 6.117 13.063 9.120 840 HG13 VAL 113 3HG1 VAL 113 4.640 12.246 9.734 841 HG21 VAL 113 3HG2 VAL 113 5.786 12.288 13.321 842 HG22 VAL 113 1HG2 VAL 113 4.747 13.528 12.541 843 HG23 VAL 113 2HG2 VAL 113 4.443 11.784 12.241 844 H GLU 114 H GLU 114 9.181 12.241 10.467 845 HA GLU 114 HA GLU 114 8.916 12.456 7.690 846 HB2 GLU 114 2HB GLU 114 10.517 13.739 9.086 847 HB3 GLU 114 3HB GLU 114 11.404 12.254 9.455 848 HG2 GLU 114 2HG GLU 114 11.994 11.989 7.057 849 HG3 GLU 114 3HG GLU 114 11.068 13.441 6.655 850 H GLN 115 H GLN 115 10.430 9.858 9.755 851 HA GLN 115 HA GLN 115 11.548 8.506 7.536 852 HB2 GLN 115 2HB GLN 115 10.903 7.700 10.411 853 HB3 GLN 115 3HB GLN 115 11.690 6.605 9.266 854 HG2 GLN 115 2HG GLN 115 13.536 8.290 8.979 855 HG3 GLN 115 3HG GLN 115 12.762 9.309 10.200 856 HE21 GLN 115 1HE2 GLN 115 15.196 8.745 10.883 857 HE22 GLN 115 2HE2 GLN 115 15.322 7.471 12.049 858 H GLN 116 H GLN 116 8.376 8.302 9.250 859 HA GLN 116 HA GLN 116 7.591 5.858 8.061 860 HB2 GLN 116 2HB GLN 116 6.050 8.212 9.254 861 HB3 GLN 116 3HB GLN 116 5.266 6.734 8.683 862 HG2 GLN 116 2HG GLN 116 7.470 6.715 10.788 863 HG3 GLN 116 3HG GLN 116 5.760 6.907 11.197 864 HE21 GLN 116 1HE2 GLN 116 4.961 5.048 11.950 865 HE22 GLN 116 2HE2 GLN 116 5.272 3.466 11.315 866 H GLN 117 H GLN 117 7.160 9.350 7.114 867 HA GLN 117 HA GLN 117 5.527 8.898 4.904 868 HB2 GLN 117 2HB GLN 117 6.021 11.121 5.892 869 HB3 GLN 117 3HB GLN 117 7.708 10.991 5.379 870 HG2 GLN 117 2HG GLN 117 6.993 10.960 3.001 871 HG3 GLN 117 3HG GLN 117 5.299 11.060 3.501 872 HE21 GLN 117 1HE2 GLN 117 5.706 12.998 1.936 873 HE22 GLN 117 2HE2 GLN 117 6.079 14.508 2.699 874 H GLN 118 H GLN 118 9.164 8.870 5.199 875 HA GLN 118 HA GLN 118 9.610 8.576 2.436 876 HB2 GLN 118 2HB GLN 118 11.246 7.896 4.924 877 HB3 GLN 118 3HB GLN 118 11.869 7.678 3.283 878 HG2 GLN 118 2HG GLN 118 11.612 10.086 2.827 879 HG3 GLN 118 3HG GLN 118 10.880 10.337 4.417 880 HE21 GLN 118 1HE2 GLN 118 12.948 11.892 3.997 881 HE22 GLN 118 2HE2 GLN 118 14.383 11.352 4.804 882 H GLY 119 H GLY 119 9.054 6.183 5.110 883 HA2 GLY 119 2HA GLY 119 9.894 3.921 3.666 884 HA3 GLY 119 3HA GLY 119 8.810 3.956 5.063 885 H TRP 120 H TRP 120 6.556 5.355 4.139 886 HA TRP 120 HA TRP 120 5.291 3.367 2.576 887 HB2 TRP 120 2HB TRP 120 4.619 5.962 3.877 888 HB3 TRP 120 3HB TRP 120 3.664 5.601 2.433 889 HD1 TRP 120 HD1 TRP 120 1.567 4.148 2.843 890 HE1 TRP 120 HE1 TRP 120 0.749 2.559 4.712 891 HE3 TRP 120 HE3 TRP 120 5.764 4.167 5.806 892 HZ2 TRP 120 HZ2 TRP 120 1.734 1.461 7.107 893 HZ3 TRP 120 HZ3 TRP 120 5.756 2.807 7.892 894 HH2 TRP 120 HH2 TRP 120 3.794 1.491 8.532 895 H GLN 121 H GLN 121 6.774 6.578 1.787 896 HA GLN 121 HA GLN 121 5.861 6.669 -0.872 897 HB2 GLN 121 2HB GLN 121 6.866 8.573 0.402 898 HB3 GLN 121 3HB GLN 121 8.430 7.749 0.391 899 HG2 GLN 121 2HG GLN 121 8.464 9.415 -1.341 900 HG3 GLN 121 3HG GLN 121 8.416 7.828 -2.121 901 HE21 GLN 121 1HE2 GLN 121 7.194 7.895 -3.899 902 HE22 GLN 121 2HE2 GLN 121 5.681 8.720 -4.072 903 H ALA 122 H ALA 122 8.779 5.138 0.671 904 HA ALA 122 HA ALA 122 10.022 4.432 -1.750 905 HB1 ALA 122 3HB ALA 122 10.119 3.145 1.024 906 HB2 ALA 122 1HB ALA 122 11.278 2.839 -0.314 907 HB3 ALA 122 2HB ALA 122 11.174 4.471 0.429 908 H ILE 123 H ILE 123 7.458 2.821 0.227 909 HA ILE 123 HA ILE 123 7.541 0.377 -1.123 910 HB ILE 123 HB ILE 123 5.306 1.878 0.319 911 HG12 ILE 123 2HG1 ILE 123 6.883 -0.607 1.124 912 HG13 ILE 123 3HG1 ILE 123 7.357 1.036 1.578 913 HG21 ILE 123 1HG2 ILE 123 4.053 -0.255 0.315 914 HG22 ILE 123 2HG2 ILE 123 4.298 0.380 -1.347 915 HG23 ILE 123 3HG2 ILE 123 5.303 -0.983 -0.749 916 HD11 ILE 123 3HD1 ILE 123 4.721 -0.323 2.300 917 HD12 ILE 123 1HD1 ILE 123 6.122 -0.062 3.392 918 HD13 ILE 123 2HD1 ILE 123 5.202 1.345 2.761 919 H LEU 124 H LEU 124 5.598 3.410 -1.741 920 HA LEU 124 HA LEU 124 4.294 2.363 -4.030 921 HB2 LEU 124 2HB LEU 124 4.902 5.195 -3.061 922 HB3 LEU 124 3HB LEU 124 3.923 4.843 -4.491 923 HG LEU 124 HG LEU 124 3.256 3.923 -1.645 924 HD11 LEU 124 1HD1 LEU 124 1.469 5.619 -1.769 925 HD12 LEU 124 2HD1 LEU 124 3.097 6.365 -1.907 926 HD13 LEU 124 3HD1 LEU 124 2.081 6.150 -3.372 927 HD21 LEU 124 3HD2 LEU 124 2.425 2.405 -3.405 928 HD22 LEU 124 1HD2 LEU 124 1.077 3.318 -2.647 929 HD23 LEU 124 2HD2 LEU 124 1.687 3.798 -4.266 930 H ASN 125 H ASN 125 7.455 4.027 -3.499 931 HA ASN 125 HA ASN 125 7.961 4.529 -6.222 932 HB2 ASN 125 2HB ASN 125 9.777 4.141 -3.817 933 HB3 ASN 125 3HB ASN 125 10.376 4.560 -5.427 934 HD21 ASN 125 1HD2 ASN 125 10.920 6.191 -3.383 935 HD22 ASN 125 2HD2 ASN 125 10.073 7.689 -3.583 936 H ASN 126 H ASN 126 8.593 1.660 -4.085 937 HA ASN 126 HA ASN 126 9.970 0.184 -6.044 938 HB2 ASN 126 2HB ASN 126 8.353 -0.572 -3.595 939 HB3 ASN 126 3HB ASN 126 9.090 -1.788 -4.646 940 HD21 ASN 126 1HD2 ASN 126 9.639 -1.293 -1.896 941 HD22 ASN 126 2HD2 ASN 126 11.335 -0.955 -1.793 942 H PHE 127 H PHE 127 6.442 0.572 -5.274 943 HA PHE 127 HA PHE 127 5.489 -1.321 -7.101 944 HB2 PHE 127 2HB PHE 127 4.141 -0.183 -5.341 945 HB3 PHE 127 3HB PHE 127 4.302 1.352 -6.205 946 HD1 PHE 127 HD1 PHE 127 4.094 -1.228 -8.612 947 HD2 PHE 127 HD2 PHE 127 1.680 1.026 -5.863 948 HE1 PHE 127 HE1 PHE 127 2.075 -1.765 -9.941 949 HE2 PHE 127 HE2 PHE 127 -0.337 0.484 -7.192 950 HZ PHE 127 HZ PHE 127 -0.142 -0.910 -9.235 951 H LYS 128 H LYS 128 6.438 2.166 -7.537 952 HA LYS 128 HA LYS 128 5.608 2.406 -10.187 953 HB2 LYS 128 2HB LYS 128 6.324 4.281 -8.733 954 HB3 LYS 128 3HB LYS 128 7.979 3.656 -8.714 955 HG2 LYS 128 2HG LYS 128 8.193 4.049 -11.144 956 HG3 LYS 128 3HG LYS 128 6.508 4.578 -11.234 957 HD2 LYS 128 2HD LYS 128 7.057 6.424 -9.575 958 HD3 LYS 128 3HD LYS 128 8.754 5.932 -9.647 959 HE2 LYS 128 2HE LYS 128 7.190 6.615 -12.176 960 HE3 LYS 128 3HE LYS 128 7.955 7.876 -11.200 961 HZ1 LYS 128 3HZ LYS 128 9.309 5.607 -12.504 962 HZ2 LYS 128 1HZ LYS 128 9.451 7.189 -12.879 963 HZ3 LYS 128 2HZ LYS 128 10.053 6.627 -11.469 964 H ARG 129 H ARG 129 8.802 1.271 -8.819 965 HA ARG 129 HA ARG 129 10.002 0.867 -11.312 966 HB2 ARG 129 2HB ARG 129 10.507 -0.494 -8.653 967 HB3 ARG 129 3HB ARG 129 11.535 -0.642 -10.084 968 HG2 ARG 129 2HG ARG 129 10.918 1.954 -8.610 969 HG3 ARG 129 3HG ARG 129 12.389 0.991 -8.422 970 HD2 ARG 129 2HD ARG 129 12.783 1.306 -10.895 971 HD3 ARG 129 3HD ARG 129 11.440 2.457 -10.886 972 HE ARG 129 HE ARG 129 13.399 3.124 -8.889 973 HH11 ARG 129 1HH1 ARG 129 12.810 3.268 -12.351 974 HH12 ARG 129 2HH1 ARG 129 13.799 4.672 -12.577 975 HH21 ARG 129 1HH2 ARG 129 14.676 4.912 -9.195 976 HH22 ARG 129 2HH2 ARG 129 14.873 5.617 -10.765 977 H HIS 130 H HIS 130 7.787 -1.205 -9.355 978 HA HIS 130 HA HIS 130 8.115 -3.543 -10.867 979 HB2 HIS 130 2HB HIS 130 6.958 -3.364 -8.651 980 HB3 HIS 130 3HB HIS 130 5.642 -2.467 -9.419 981 HD2 HIS 130 HD2 HIS 130 3.681 -4.041 -10.569 982 HE1 HIS 130 HE1 HIS 130 5.723 -7.786 -10.198 983 H VAL 131 H VAL 131 5.841 -0.714 -11.267 984 HA VAL 131 HA VAL 131 4.530 -1.729 -13.505 985 HB VAL 131 HB VAL 131 5.150 1.122 -12.596 986 HG11 VAL 131 1HG1 VAL 131 3.407 1.858 -14.193 987 HG12 VAL 131 2HG1 VAL 131 4.812 1.117 -15.031 988 HG13 VAL 131 3HG1 VAL 131 3.291 0.183 -14.830 989 HG21 VAL 131 3HG2 VAL 131 3.696 -0.183 -11.104 990 HG22 VAL 131 1HG2 VAL 131 2.765 1.110 -11.932 991 HG23 VAL 131 2HG2 VAL 131 2.624 -0.593 -12.485 992 H GLU 132 H GLU 132 7.626 0.153 -13.181 993 HA GLU 132 HA GLU 132 7.925 0.697 -15.916 994 HB2 GLU 132 2HB GLU 132 9.877 0.424 -13.588 995 HB3 GLU 132 3HB GLU 132 10.403 0.868 -15.217 996 HG2 GLU 132 2HG GLU 132 8.956 2.878 -15.164 997 HG3 GLU 132 3HG GLU 132 8.348 2.422 -13.568 998 H SER 133 H SER 133 8.580 -2.236 -13.963 999 HA SER 133 HA SER 133 10.259 -3.436 -15.956 1000 HB2 SER 133 2HB SER 133 10.197 -5.349 -14.524 1001 HB3 SER 133 3HB SER 133 10.301 -3.925 -13.481 1002 HG SER 133 HG SER 133 8.156 -4.121 -12.931 1003 H HIS 134 H HIS 134 6.829 -2.894 -15.671 1004 HA HIS 134 HA HIS 134 6.223 -5.213 -17.345 1005 HB2 HIS 134 2HB HIS 134 4.530 -3.094 -15.945 1006 HB3 HIS 134 3HB HIS 134 3.849 -4.253 -17.093 1007 HD2 HIS 134 HD2 HIS 134 4.270 -4.009 -13.391 1008 HE1 HIS 134 HE1 HIS 134 4.429 -8.205 -14.225 1009 H LEU 135 H LEU 135 7.662 -2.334 -17.978 1010 HA LEU 135 HA LEU 135 6.043 -1.728 -20.340 1011 HB2 LEU 135 2HB LEU 135 8.610 -0.456 -19.270 1012 HB3 LEU 135 3HB LEU 135 7.619 0.152 -20.603 1013 HG LEU 135 HG LEU 135 6.712 -0.062 -17.682 1014 HD11 LEU 135 1HD1 LEU 135 6.831 2.404 -17.726 1015 HD12 LEU 135 2HD1 LEU 135 8.437 1.661 -18.034 1016 HD13 LEU 135 3HD1 LEU 135 7.488 2.344 -19.397 1017 HD21 LEU 135 3HD2 LEU 135 4.872 -0.354 -19.301 1018 HD22 LEU 135 1HD2 LEU 135 4.757 1.233 -18.469 1019 HD23 LEU 135 2HD2 LEU 135 5.375 1.144 -20.153 1020 H GLU 136 H GLU 136 9.188 -0.910 -21.106 1021 HA GLU 136 HA GLU 136 9.274 -2.964 -23.098 1022 HB2 GLU 136 2HB GLU 136 9.989 -0.532 -23.356 1023 HB3 GLU 136 3HB GLU 136 11.388 -0.897 -22.338 1024 HG2 GLU 136 2HG GLU 136 12.199 -2.551 -23.981 1025 HG3 GLU 136 3HG GLU 136 10.759 -2.308 -24.978 1026 H HIS 137 H HIS 137 9.327 -4.833 -21.467 1027 HA HIS 137 HA HIS 137 11.630 -5.228 -19.885 1028 HB2 HIS 137 2HB HIS 137 9.367 -6.378 -19.675 1029 HB3 HIS 137 3HB HIS 137 9.774 -7.321 -21.114 1030 HD2 HIS 137 HD2 HIS 137 10.428 -7.347 -17.304 1031 HE1 HIS 137 HE1 HIS 137 12.912 -10.366 -19.047 1032 H HIS 138 H HIS 138 13.560 -6.408 -20.276 1033 HA HIS 138 HA HIS 138 14.047 -6.958 -23.136 1034 HB2 HIS 138 2HB HIS 138 15.982 -6.059 -20.944 1035 HB3 HIS 138 3HB HIS 138 16.440 -6.473 -22.601 1036 HD2 HIS 138 HD2 HIS 138 14.937 -3.486 -20.598 1037 HE1 HIS 138 HE1 HIS 138 15.103 -2.355 -24.723 Start of MODEL 16 1 H1 MET 1 1H MET 1 -1.269 13.521 14.443 2 H2 MET 1 2H MET 1 -2.376 12.765 13.511 3 H3 MET 1 3H MET 1 -1.051 11.959 14.021 4 HA MET 1 HA MET 1 -0.973 14.306 12.296 5 HB2 MET 1 2HB MET 1 1.102 12.201 13.067 6 HB3 MET 1 3HB MET 1 1.342 13.427 11.816 7 HG2 MET 1 2HG MET 1 0.813 13.998 14.771 8 HG3 MET 1 3HG MET 1 2.398 14.032 13.988 9 HE1 MET 1 3HE MET 1 1.961 15.387 11.201 10 HE2 MET 1 1HE MET 1 2.190 17.119 11.617 11 HE3 MET 1 2HE MET 1 3.239 15.869 12.368 12 H ASN 2 H ASN 2 -1.994 13.963 10.362 13 HA ASN 2 HA ASN 2 -1.992 11.239 9.296 14 HB2 ASN 2 2HB ASN 2 -3.446 13.773 8.451 15 HB3 ASN 2 3HB ASN 2 -3.535 12.233 7.585 16 HD21 ASN 2 1HD2 ASN 2 -5.049 14.147 9.754 17 HD22 ASN 2 2HD2 ASN 2 -6.059 12.965 10.517 18 H ILE 3 H ILE 3 -0.661 10.614 7.624 19 HA ILE 3 HA ILE 3 0.916 12.756 6.388 20 HB ILE 3 HB ILE 3 1.417 9.745 6.641 21 HG12 ILE 3 2HG1 ILE 3 2.936 12.118 7.820 22 HG13 ILE 3 3HG1 ILE 3 1.717 11.187 8.701 23 HG21 ILE 3 1HG2 ILE 3 3.613 10.216 5.605 24 HG22 ILE 3 2HG2 ILE 3 2.254 10.592 4.492 25 HG23 ILE 3 3HG2 ILE 3 3.116 11.921 5.338 26 HD11 ILE 3 3HD1 ILE 3 4.312 10.077 7.541 27 HD12 ILE 3 1HD1 ILE 3 3.982 10.438 9.270 28 HD13 ILE 3 2HD1 ILE 3 3.074 9.132 8.436 29 H THR 4 H THR 4 0.683 13.191 4.199 30 HA THR 4 HA THR 4 -0.882 11.225 2.672 31 HB THR 4 HB THR 4 -0.795 14.276 2.405 32 HG1 THR 4 HG1 THR 4 -3.047 12.542 3.000 33 HG21 THR 4 3HG2 THR 4 -2.350 12.174 0.817 34 HG22 THR 4 1HG2 THR 4 -2.529 13.955 0.662 35 HG23 THR 4 2HG2 THR 4 -0.981 13.165 0.208 36 H VAL 5 H VAL 5 0.061 10.444 0.786 37 HA VAL 5 HA VAL 5 2.323 11.966 -0.278 38 HB VAL 5 HB VAL 5 3.535 9.807 -0.660 39 HG11 VAL 5 1HG1 VAL 5 4.279 9.488 1.681 40 HG12 VAL 5 2HG1 VAL 5 4.104 11.226 1.265 41 HG13 VAL 5 3HG1 VAL 5 2.848 10.409 2.256 42 HG21 VAL 5 3HG2 VAL 5 1.604 8.286 -0.597 43 HG22 VAL 5 1HG2 VAL 5 2.841 7.797 0.610 44 HG23 VAL 5 2HG2 VAL 5 1.356 8.653 1.144 45 H GLU 6 H GLU 6 2.881 11.273 -2.582 46 HA GLU 6 HA GLU 6 0.628 9.971 -3.934 47 HB2 GLU 6 2HB GLU 6 1.789 12.720 -4.590 48 HB3 GLU 6 3HB GLU 6 0.752 11.796 -5.684 49 HG2 GLU 6 2HG GLU 6 -1.078 11.844 -3.977 50 HG3 GLU 6 3HG GLU 6 -0.040 12.787 -2.900 51 H THR 7 H THR 7 1.258 8.688 -5.679 52 HA THR 7 HA THR 7 3.921 9.180 -6.766 53 HB THR 7 HB THR 7 2.883 6.426 -5.912 54 HG1 THR 7 HG1 THR 7 3.659 7.616 -4.108 55 HG21 THR 7 3HG2 THR 7 5.523 7.287 -7.193 56 HG22 THR 7 1HG2 THR 7 5.120 5.633 -6.622 57 HG23 THR 7 2HG2 THR 7 4.211 6.356 -7.992 58 H THR 8 H THR 8 3.915 9.098 -9.014 59 HA THR 8 HA THR 8 1.395 8.196 -10.207 60 HB THR 8 HB THR 8 3.559 10.100 -11.244 61 HG1 THR 8 HG1 THR 8 1.803 11.660 -10.980 62 HG21 THR 8 3HG2 THR 8 0.875 9.277 -12.459 63 HG22 THR 8 1HG2 THR 8 1.974 10.547 -13.096 64 HG23 THR 8 2HG2 THR 8 2.501 8.830 -13.078 65 H VAL 9 H VAL 9 1.397 6.372 -11.500 66 HA VAL 9 HA VAL 9 4.034 5.449 -12.418 67 HB VAL 9 HB VAL 9 3.208 3.129 -12.114 68 HG11 VAL 9 1HG1 VAL 9 3.259 3.078 -9.639 69 HG12 VAL 9 2HG1 VAL 9 4.497 4.193 -10.310 70 HG13 VAL 9 3HG1 VAL 9 2.985 4.853 -9.601 71 HG21 VAL 9 3HG2 VAL 9 0.803 3.552 -12.385 72 HG22 VAL 9 1HG2 VAL 9 1.133 2.709 -10.833 73 HG23 VAL 9 2HG2 VAL 9 0.778 4.469 -10.841 74 H ALA 10 H ALA 10 4.094 4.397 -14.511 75 HA ALA 10 HA ALA 10 1.891 5.193 -16.232 76 HB1 ALA 10 3HB ALA 10 4.599 3.888 -16.790 77 HB2 ALA 10 1HB ALA 10 3.435 4.460 -18.032 78 HB3 ALA 10 2HB ALA 10 4.212 5.637 -16.920 79 H ALA 11 H ALA 11 0.327 3.623 -15.169 80 HA ALA 11 HA ALA 11 0.306 1.229 -16.789 81 HB1 ALA 11 3HB ALA 11 0.342 1.095 -13.732 82 HB2 ALA 11 1HB ALA 11 -0.025 -0.273 -14.837 83 HB3 ALA 11 2HB ALA 11 1.610 0.470 -14.840 84 HA PRO 12 HA PRO 12 -4.045 2.026 -16.781 85 HB2 PRO 12 2HB PRO 12 -4.289 -1.004 -16.524 86 HB3 PRO 12 3HB PRO 12 -5.013 0.056 -17.740 87 HG2 PRO 12 2HG PRO 12 -2.924 -1.459 -18.410 88 HG3 PRO 12 3HG PRO 12 -3.012 0.205 -19.003 89 HD2 PRO 12 2HD PRO 12 -1.337 -0.923 -16.726 90 HD3 PRO 12 3HD PRO 12 -0.889 0.277 -17.946 91 H VAL 13 H VAL 13 -5.821 2.230 -15.433 92 HA VAL 13 HA VAL 13 -5.054 2.473 -12.790 93 HB VAL 13 HB VAL 13 -7.820 2.356 -14.088 94 HG11 VAL 13 1HG1 VAL 13 -8.662 3.426 -12.022 95 HG12 VAL 13 2HG1 VAL 13 -8.008 1.783 -11.706 96 HG13 VAL 13 3HG1 VAL 13 -7.044 3.234 -11.268 97 HG21 VAL 13 3HG2 VAL 13 -6.383 4.199 -14.848 98 HG22 VAL 13 1HG2 VAL 13 -7.728 4.815 -13.830 99 HG23 VAL 13 2HG2 VAL 13 -6.073 4.677 -13.144 100 H GLY 14 H GLY 14 -6.924 -0.177 -14.451 101 HA2 GLY 14 2HA GLY 14 -7.738 -1.468 -12.083 102 HA3 GLY 14 3HA GLY 14 -7.645 -2.164 -13.706 103 H LYS 15 H LYS 15 -4.801 -1.885 -14.210 104 HA LYS 15 HA LYS 15 -3.829 -4.126 -12.780 105 HB2 LYS 15 2HB LYS 15 -2.526 -2.042 -14.588 106 HB3 LYS 15 3HB LYS 15 -1.639 -3.410 -13.902 107 HG2 LYS 15 2HG LYS 15 -3.240 -4.982 -15.037 108 HG3 LYS 15 3HG LYS 15 -4.058 -3.593 -15.765 109 HD2 LYS 15 2HD LYS 15 -1.906 -2.912 -16.862 110 HD3 LYS 15 3HD LYS 15 -1.104 -4.317 -16.148 111 HE2 LYS 15 2HE LYS 15 -2.700 -5.833 -17.343 112 HE3 LYS 15 3HE LYS 15 -3.497 -4.426 -18.060 113 HZ1 LYS 15 3HZ LYS 15 -0.672 -5.173 -18.471 114 HZ2 LYS 15 1HZ LYS 15 -1.883 -5.381 -19.547 115 HZ3 LYS 15 2HZ LYS 15 -1.408 -3.874 -19.133 116 H VAL 16 H VAL 16 -3.381 -0.543 -12.417 117 HA VAL 16 HA VAL 16 -1.305 -0.726 -10.548 118 HB VAL 16 HB VAL 16 -3.439 1.396 -11.086 119 HG11 VAL 16 1HG1 VAL 16 -2.051 2.933 -9.732 120 HG12 VAL 16 2HG1 VAL 16 -2.704 1.580 -8.748 121 HG13 VAL 16 3HG1 VAL 16 -0.987 1.561 -9.273 122 HG21 VAL 16 3HG2 VAL 16 -1.830 1.016 -12.903 123 HG22 VAL 16 1HG2 VAL 16 -1.549 2.609 -12.123 124 HG23 VAL 16 2HG2 VAL 16 -0.465 1.225 -11.755 125 H TRP 17 H TRP 17 -4.930 -0.516 -10.153 126 HA TRP 17 HA TRP 17 -4.880 -0.411 -7.344 127 HB2 TRP 17 2HB TRP 17 -6.825 0.182 -8.791 128 HB3 TRP 17 3HB TRP 17 -6.983 -1.511 -9.277 129 HD1 TRP 17 HD1 TRP 17 -7.647 0.853 -6.299 130 HE1 TRP 17 HE1 TRP 17 -9.155 -0.371 -4.590 131 HE3 TRP 17 HE3 TRP 17 -7.584 -3.846 -8.380 132 HZ2 TRP 17 HZ2 TRP 17 -10.180 -2.955 -4.169 133 HZ3 TRP 17 HZ3 TRP 17 -8.859 -5.657 -7.259 134 HH2 TRP 17 HH2 TRP 17 -10.141 -5.216 -5.181 135 H ARG 18 H ARG 18 -5.082 -3.212 -9.673 136 HA ARG 18 HA ARG 18 -5.518 -5.114 -7.639 137 HB2 ARG 18 2HB ARG 18 -4.604 -5.298 -10.509 138 HB3 ARG 18 3HB ARG 18 -4.689 -6.720 -9.460 139 HG2 ARG 18 2HG ARG 18 -7.105 -6.257 -9.050 140 HG3 ARG 18 3HG ARG 18 -7.011 -4.860 -10.130 141 HD2 ARG 18 2HD ARG 18 -6.428 -6.306 -11.997 142 HD3 ARG 18 3HD ARG 18 -6.424 -7.717 -10.931 143 HE ARG 18 HE ARG 18 -8.960 -6.457 -10.761 144 HH11 ARG 18 1HH1 ARG 18 -7.026 -8.238 -13.092 145 HH12 ARG 18 2HH1 ARG 18 -8.406 -8.910 -13.895 146 HH21 ARG 18 1HH2 ARG 18 -10.718 -7.315 -11.807 147 HH22 ARG 18 2HH2 ARG 18 -10.526 -8.380 -13.159 148 H ALA 19 H ALA 19 -2.515 -3.829 -9.217 149 HA ALA 19 HA ALA 19 -0.779 -5.699 -8.002 150 HB1 ALA 19 3HB ALA 19 -0.314 -2.850 -9.012 151 HB2 ALA 19 1HB ALA 19 0.967 -4.049 -8.628 152 HB3 ALA 19 2HB ALA 19 -0.176 -4.358 -9.978 153 H TYR 20 H TYR 20 -2.175 -2.558 -6.902 154 HA TYR 20 HA TYR 20 -0.349 -2.151 -4.800 155 HB2 TYR 20 2HB TYR 20 -1.837 -0.406 -5.755 156 HB3 TYR 20 3HB TYR 20 -3.257 -1.268 -5.148 157 HD1 TYR 20 HD1 TYR 20 -0.082 0.376 -3.995 158 HD2 TYR 20 HD2 TYR 20 -4.075 -0.825 -2.984 159 HE1 TYR 20 HE1 TYR 20 0.100 1.598 -1.851 160 HE2 TYR 20 HE2 TYR 20 -3.905 0.397 -0.839 161 HH TYR 20 HH TYR 20 -1.180 2.527 -0.144 162 H THR 21 H THR 21 -3.139 -4.329 -5.162 163 HA THR 21 HA THR 21 -3.044 -4.794 -2.259 164 HB THR 21 HB THR 21 -5.431 -5.516 -2.460 165 HG1 THR 21 HG1 THR 21 -5.275 -4.349 -5.119 166 HG21 THR 21 3HG2 THR 21 -4.858 -2.697 -3.498 167 HG22 THR 21 1HG2 THR 21 -6.394 -3.252 -2.750 168 HG23 THR 21 2HG2 THR 21 -4.886 -3.208 -1.776 169 H THR 22 H THR 22 -1.578 -6.085 -4.738 170 HA THR 22 HA THR 22 -2.471 -8.816 -4.306 171 HB THR 22 HB THR 22 -0.200 -7.623 -5.978 172 HG1 THR 22 HG1 THR 22 -2.250 -7.196 -6.893 173 HG21 THR 22 3HG2 THR 22 -1.231 -10.497 -5.794 174 HG22 THR 22 1HG2 THR 22 -0.007 -9.890 -6.960 175 HG23 THR 22 2HG2 THR 22 0.355 -9.900 -5.201 176 HA PRO 23 HA PRO 23 0.253 -9.142 -0.808 177 HB2 PRO 23 2HB PRO 23 0.082 -11.942 -0.597 178 HB3 PRO 23 3HB PRO 23 -1.186 -10.866 0.005 179 HG2 PRO 23 2HG PRO 23 -1.039 -12.352 -2.637 180 HG3 PRO 23 3HG PRO 23 -2.414 -12.168 -1.540 181 HD2 PRO 23 2HD PRO 23 -2.248 -10.627 -3.754 182 HD3 PRO 23 3HD PRO 23 -2.851 -9.929 -2.246 183 H GLU 24 H GLU 24 0.770 -11.278 -3.683 184 HA GLU 24 HA GLU 24 3.427 -11.900 -3.017 185 HB2 GLU 24 2HB GLU 24 1.921 -11.695 -5.663 186 HB3 GLU 24 3HB GLU 24 3.597 -12.249 -5.551 187 HG2 GLU 24 2HG GLU 24 2.903 -14.131 -4.096 188 HG3 GLU 24 3HG GLU 24 1.229 -13.562 -4.127 189 H ASP 25 H ASP 25 1.931 -9.039 -4.633 190 HA ASP 25 HA ASP 25 4.469 -7.974 -5.438 191 HB2 ASP 25 2HB ASP 25 1.634 -6.860 -5.258 192 HB3 ASP 25 3HB ASP 25 3.012 -5.886 -5.788 193 H ILE 26 H ILE 26 2.184 -7.486 -2.652 194 HA ILE 26 HA ILE 26 3.413 -5.141 -1.750 195 HB ILE 26 HB ILE 26 1.697 -7.267 -0.382 196 HG12 ILE 26 2HG1 ILE 26 1.063 -4.379 -1.135 197 HG13 ILE 26 3HG1 ILE 26 0.765 -5.747 -2.216 198 HG21 ILE 26 1HG2 ILE 26 1.434 -5.675 1.492 199 HG22 ILE 26 2HG2 ILE 26 3.134 -6.228 1.319 200 HG23 ILE 26 3HG2 ILE 26 2.657 -4.595 0.742 201 HD11 ILE 26 3HD1 ILE 26 -0.438 -5.378 0.565 202 HD12 ILE 26 1HD1 ILE 26 -1.274 -5.118 -1.004 203 HD13 ILE 26 2HD1 ILE 26 -0.741 -6.767 -0.533 204 H LYS 27 H LYS 27 3.957 -8.645 -0.933 205 HA LYS 27 HA LYS 27 5.597 -8.150 1.295 206 HB2 LYS 27 2HB LYS 27 6.135 -10.481 1.160 207 HB3 LYS 27 3HB LYS 27 4.434 -10.305 0.711 208 HG2 LYS 27 2HG LYS 27 5.070 -10.457 -1.708 209 HG3 LYS 27 3HG LYS 27 6.763 -10.667 -1.241 210 HD2 LYS 27 2HD LYS 27 6.070 -12.706 0.116 211 HD3 LYS 27 3HD LYS 27 4.433 -12.525 -0.528 212 HE2 LYS 27 2HE LYS 27 5.333 -12.731 -2.858 213 HE3 LYS 27 3HE LYS 27 6.965 -12.927 -2.206 214 HZ1 LYS 27 3HZ LYS 27 4.695 -14.737 -1.681 215 HZ2 LYS 27 1HZ LYS 27 5.946 -15.038 -2.688 216 HZ3 LYS 27 2HZ LYS 27 6.202 -14.919 -1.080 217 H GLN 28 H GLN 28 6.201 -7.816 -2.161 218 HA GLN 28 HA GLN 28 9.067 -8.153 -1.834 219 HB2 GLN 28 2HB GLN 28 7.252 -7.413 -4.180 220 HB3 GLN 28 3HB GLN 28 9.017 -7.445 -4.297 221 HG2 GLN 28 2HG GLN 28 8.993 -9.863 -3.634 222 HG3 GLN 28 3HG GLN 28 7.225 -9.816 -3.591 223 HE21 GLN 28 1HE2 GLN 28 6.087 -10.074 -5.463 224 HE22 GLN 28 2HE2 GLN 28 6.794 -10.210 -7.038 225 H TRP 29 H TRP 29 6.660 -5.588 -1.608 226 HA TRP 29 HA TRP 29 8.495 -3.550 -2.560 227 HB2 TRP 29 2HB TRP 29 5.643 -3.462 -1.457 228 HB3 TRP 29 3HB TRP 29 6.533 -2.048 -2.037 229 HD1 TRP 29 HD1 TRP 29 7.740 -4.296 -4.476 230 HE1 TRP 29 HE1 TRP 29 6.244 -4.453 -6.580 231 HE3 TRP 29 HE3 TRP 29 3.431 -2.263 -2.550 232 HZ2 TRP 29 HZ2 TRP 29 3.608 -3.812 -7.328 233 HZ3 TRP 29 HZ3 TRP 29 1.440 -2.069 -4.032 234 HH2 TRP 29 HH2 TRP 29 1.521 -2.821 -6.359 235 H ASN 30 H ASN 30 8.034 -5.217 0.388 236 HA ASN 30 HA ASN 30 8.063 -3.391 2.368 237 HB2 ASN 30 2HB ASN 30 8.254 -5.858 2.616 238 HB3 ASN 30 3HB ASN 30 9.947 -5.766 2.116 239 HD21 ASN 30 1HD2 ASN 30 9.089 -6.840 4.526 240 HD22 ASN 30 2HD2 ASN 30 9.777 -5.891 5.800 241 H ALA 31 H ALA 31 9.482 -1.858 3.275 242 HA ALA 31 HA ALA 31 11.263 -0.759 1.324 243 HB1 ALA 31 3HB ALA 31 10.616 0.032 4.207 244 HB2 ALA 31 1HB ALA 31 11.531 1.029 3.026 245 HB3 ALA 31 2HB ALA 31 9.803 0.644 2.727 246 H ALA 32 H ALA 32 11.643 -3.042 3.955 247 HA ALA 32 HA ALA 32 14.313 -2.177 4.631 248 HB1 ALA 32 3HB ALA 32 12.675 -4.646 5.392 249 HB2 ALA 32 1HB ALA 32 14.248 -4.168 6.116 250 HB3 ALA 32 2HB ALA 32 12.804 -3.122 6.333 251 H SER 33 H SER 33 15.744 -4.558 4.931 252 HA SER 33 HA SER 33 16.840 -4.661 2.339 253 HB2 SER 33 2HB SER 33 18.220 -4.941 4.303 254 HB3 SER 33 3HB SER 33 17.245 -6.300 4.876 255 HG SER 33 HG SER 33 19.286 -6.857 3.788 256 H ASP 34 H ASP 34 16.678 -6.148 0.658 257 HA ASP 34 HA ASP 34 14.538 -8.075 0.806 258 HB2 ASP 34 2HB ASP 34 16.589 -7.300 -1.316 259 HB3 ASP 34 3HB ASP 34 15.432 -8.618 -1.541 260 H ASP 35 H ASP 35 17.666 -8.090 2.057 261 HA ASP 35 HA ASP 35 18.181 -10.861 1.180 262 HB2 ASP 35 2HB ASP 35 20.098 -8.687 2.150 263 HB3 ASP 35 3HB ASP 35 20.558 -10.340 1.721 264 H TRP 36 H TRP 36 18.240 -8.566 4.007 265 HA TRP 36 HA TRP 36 18.587 -10.924 5.739 266 HB2 TRP 36 2HB TRP 36 19.110 -7.946 6.200 267 HB3 TRP 36 3HB TRP 36 19.252 -9.190 7.449 268 HD1 TRP 36 HD1 TRP 36 21.181 -7.568 4.643 269 HE1 TRP 36 HE1 TRP 36 23.495 -8.693 4.392 270 HE3 TRP 36 HE3 TRP 36 20.412 -11.661 7.653 271 HZ2 TRP 36 HZ2 TRP 36 24.820 -10.991 5.333 272 HZ3 TRP 36 HZ3 TRP 36 22.267 -13.297 7.933 273 HH2 TRP 36 HH2 TRP 36 24.418 -12.972 6.813 274 H HIS 37 H HIS 37 15.988 -9.823 4.417 275 HA HIS 37 HA HIS 37 14.517 -10.126 6.919 276 HB2 HIS 37 2HB HIS 37 14.702 -7.641 6.366 277 HB3 HIS 37 3HB HIS 37 13.821 -7.969 4.869 278 HD2 HIS 37 HD2 HIS 37 13.119 -7.423 8.647 279 HE1 HIS 37 HE1 HIS 37 9.412 -8.461 6.778 280 H THR 38 H THR 38 12.752 -11.500 6.681 281 HA THR 38 HA THR 38 12.078 -12.206 3.914 282 HB THR 38 HB THR 38 11.663 -13.738 6.534 283 HG1 THR 38 HG1 THR 38 13.203 -15.202 5.499 284 HG21 THR 38 3HG2 THR 38 11.006 -14.512 3.649 285 HG22 THR 38 1HG2 THR 38 10.873 -15.585 5.084 286 HG23 THR 38 2HG2 THR 38 9.819 -14.138 4.944 287 H THR 39 H THR 39 9.991 -11.812 3.153 288 HA THR 39 HA THR 39 8.075 -10.850 5.158 289 HB THR 39 HB THR 39 8.614 -9.637 2.394 290 HG1 THR 39 HG1 THR 39 9.905 -8.271 3.437 291 HG21 THR 39 3HG2 THR 39 6.704 -8.810 4.635 292 HG22 THR 39 1HG2 THR 39 6.998 -7.902 3.113 293 HG23 THR 39 2HG2 THR 39 6.239 -9.529 3.057 294 H ALA 40 H ALA 40 5.955 -11.619 4.901 295 HA ALA 40 HA ALA 40 5.217 -12.639 2.258 296 HB1 ALA 40 3HB ALA 40 4.887 -14.162 4.892 297 HB2 ALA 40 1HB ALA 40 4.182 -14.640 3.311 298 HB3 ALA 40 2HB ALA 40 5.965 -14.615 3.529 299 H ALA 41 H ALA 41 2.956 -12.476 1.797 300 HA ALA 41 HA ALA 41 1.324 -11.232 3.893 301 HB1 ALA 41 3HB ALA 41 1.756 -10.131 1.073 302 HB2 ALA 41 1HB ALA 41 0.549 -9.531 2.259 303 HB3 ALA 41 2HB ALA 41 2.304 -9.375 2.607 304 H THR 42 H THR 42 -0.940 -11.657 3.697 305 HA THR 42 HA THR 42 -1.741 -12.898 1.168 306 HB THR 42 HB THR 42 -2.648 -13.760 3.964 307 HG1 THR 42 HG1 THR 42 -1.640 -15.789 3.287 308 HG21 THR 42 3HG2 THR 42 -3.451 -14.766 1.189 309 HG22 THR 42 1HG2 THR 42 -3.957 -15.483 2.755 310 HG23 THR 42 2HG2 THR 42 -4.484 -13.824 2.316 311 H VAL 43 H VAL 43 -3.610 -11.987 0.279 312 HA VAL 43 HA VAL 43 -5.040 -10.105 2.026 313 HB VAL 43 HB VAL 43 -4.191 -9.700 -0.887 314 HG11 VAL 43 1HG1 VAL 43 -5.230 -7.462 -0.654 315 HG12 VAL 43 2HG1 VAL 43 -6.433 -8.782 -0.455 316 HG13 VAL 43 3HG1 VAL 43 -5.811 -7.909 0.986 317 HG21 VAL 43 3HG2 VAL 43 -2.352 -9.374 0.707 318 HG22 VAL 43 1HG2 VAL 43 -2.881 -7.805 0.013 319 HG23 VAL 43 2HG2 VAL 43 -3.374 -8.261 1.678 320 H ASP 44 H ASP 44 -7.250 -10.485 2.070 321 HA ASP 44 HA ASP 44 -8.438 -11.951 -0.163 322 HB2 ASP 44 2HB ASP 44 -9.020 -12.555 2.180 323 HB3 ASP 44 3HB ASP 44 -9.599 -10.909 2.467 324 H LEU 45 H LEU 45 -9.154 -10.814 -1.927 325 HA LEU 45 HA LEU 45 -9.267 -7.930 -1.698 326 HB2 LEU 45 2HB LEU 45 -9.497 -9.920 -3.999 327 HB3 LEU 45 3HB LEU 45 -9.709 -8.177 -4.213 328 HG LEU 45 HG LEU 45 -7.168 -9.550 -3.189 329 HD11 LEU 45 1HD1 LEU 45 -6.217 -8.824 -5.348 330 HD12 LEU 45 2HD1 LEU 45 -7.601 -9.945 -5.580 331 HD13 LEU 45 3HD1 LEU 45 -7.820 -8.181 -5.839 332 HD21 LEU 45 3HD2 LEU 45 -7.519 -7.320 -2.191 333 HD22 LEU 45 1HD2 LEU 45 -6.173 -7.292 -3.379 334 HD23 LEU 45 2HD2 LEU 45 -7.779 -6.623 -3.825 335 H ARG 46 H ARG 46 -11.188 -7.598 -0.374 336 HA ARG 46 HA ARG 46 -13.433 -7.203 -2.054 337 HB2 ARG 46 2HB ARG 46 -15.076 -8.533 -0.914 338 HB3 ARG 46 3HB ARG 46 -13.839 -9.554 -1.657 339 HG2 ARG 46 2HG ARG 46 -12.731 -9.765 0.596 340 HG3 ARG 46 3HG ARG 46 -14.070 -8.848 1.300 341 HD2 ARG 46 2HD ARG 46 -15.646 -10.545 0.721 342 HD3 ARG 46 3HD ARG 46 -14.451 -11.408 -0.256 343 HE ARG 46 HE ARG 46 -13.497 -12.288 1.684 344 HH11 ARG 46 1HH1 ARG 46 -15.937 -9.911 2.549 345 HH12 ARG 46 2HH1 ARG 46 -16.022 -10.430 4.199 346 HH21 ARG 46 1HH2 ARG 46 -13.610 -12.935 3.804 347 HH22 ARG 46 2HH2 ARG 46 -14.687 -12.165 4.921 348 H GLU 47 H GLU 47 -15.054 -5.809 -1.023 349 HA GLU 47 HA GLU 47 -14.113 -4.172 1.059 350 HB2 GLU 47 2HB GLU 47 -15.855 -3.608 -0.684 351 HB3 GLU 47 3HB GLU 47 -16.984 -4.684 0.149 352 HG2 GLU 47 2HG GLU 47 -17.034 -3.282 2.109 353 HG3 GLU 47 3HG GLU 47 -15.643 -2.337 1.561 354 H GLY 48 H GLY 48 -14.046 -4.487 3.265 355 HA2 GLY 48 2HA GLY 48 -14.750 -5.322 5.289 356 HA3 GLY 48 3HA GLY 48 -15.896 -6.391 4.469 357 H GLY 49 H GLY 49 -13.189 -6.904 2.629 358 HA2 GLY 49 2HA GLY 49 -12.763 -9.443 3.860 359 HA3 GLY 49 3HA GLY 49 -11.948 -8.774 2.440 360 H ALA 50 H ALA 50 -10.677 -10.309 4.618 361 HA ALA 50 HA ALA 50 -9.259 -8.228 6.125 362 HB1 ALA 50 3HB ALA 50 -9.415 -11.266 6.449 363 HB2 ALA 50 1HB ALA 50 -8.518 -10.142 7.526 364 HB3 ALA 50 2HB ALA 50 -10.308 -10.045 7.418 365 H PHE 51 H PHE 51 -6.915 -8.204 6.237 366 HA PHE 51 HA PHE 51 -5.538 -10.078 4.465 367 HB2 PHE 51 2HB PHE 51 -4.178 -8.250 3.507 368 HB3 PHE 51 3HB PHE 51 -5.884 -8.099 3.066 369 HD1 PHE 51 HD1 PHE 51 -3.123 -6.658 5.037 370 HD2 PHE 51 HD2 PHE 51 -7.265 -6.288 3.963 371 HE1 PHE 51 HE1 PHE 51 -3.147 -4.346 5.921 372 HE2 PHE 51 HE2 PHE 51 -7.286 -3.975 4.841 373 HZ PHE 51 HZ PHE 51 -5.226 -2.998 5.820 374 H SER 52 H SER 52 -3.162 -10.181 4.946 375 HA SER 52 HA SER 52 -2.419 -9.105 7.554 376 HB2 SER 52 2HB SER 52 -3.616 -11.178 8.105 377 HB3 SER 52 3HB SER 52 -2.655 -12.082 6.926 378 HG SER 52 HG SER 52 -1.347 -10.596 8.987 379 H SER 53 H SER 53 -0.147 -9.006 7.862 380 HA SER 53 HA SER 53 1.487 -10.211 5.725 381 HB2 SER 53 2HB SER 53 1.154 -7.831 5.180 382 HB3 SER 53 3HB SER 53 1.658 -7.362 6.809 383 HG SER 53 HG SER 53 3.375 -7.182 5.265 384 H ARG 54 H ARG 54 3.199 -11.371 6.514 385 HA ARG 54 HA ARG 54 3.834 -10.944 9.355 386 HB2 ARG 54 2HB ARG 54 2.924 -13.148 8.869 387 HB3 ARG 54 3HB ARG 54 4.166 -13.419 7.639 388 HG2 ARG 54 2HG ARG 54 5.926 -13.252 9.394 389 HG3 ARG 54 3HG ARG 54 4.672 -13.011 10.618 390 HD2 ARG 54 2HD ARG 54 3.719 -15.221 10.027 391 HD3 ARG 54 3HD ARG 54 5.044 -15.458 8.879 392 HE ARG 54 HE ARG 54 5.152 -15.721 11.763 393 HH11 ARG 54 1HH1 ARG 54 7.061 -15.214 8.859 394 HH12 ARG 54 2HH1 ARG 54 8.532 -15.760 9.592 395 HH21 ARG 54 1HH2 ARG 54 7.039 -16.431 12.686 396 HH22 ARG 54 2HH2 ARG 54 8.521 -16.460 11.790 397 H MET 55 H MET 55 5.761 -9.973 9.808 398 HA MET 55 HA MET 55 7.833 -10.110 7.708 399 HB2 MET 55 2HB MET 55 7.272 -8.029 9.872 400 HB3 MET 55 3HB MET 55 8.689 -8.019 8.814 401 HG2 MET 55 2HG MET 55 7.171 -7.841 6.823 402 HG3 MET 55 3HG MET 55 5.779 -7.784 7.913 403 HE1 MET 55 3HE MET 55 4.927 -5.506 6.917 404 HE2 MET 55 1HE MET 55 5.968 -4.059 6.690 405 HE3 MET 55 2HE MET 55 6.281 -5.550 5.738 406 H GLU 56 H GLU 56 9.786 -11.063 8.202 407 HA GLU 56 HA GLU 56 10.382 -11.460 11.055 408 HB2 GLU 56 2HB GLU 56 9.374 -13.542 10.100 409 HB3 GLU 56 3HB GLU 56 10.617 -13.557 8.842 410 HG2 GLU 56 2HG GLU 56 12.380 -13.771 10.620 411 HG3 GLU 56 3HG GLU 56 11.110 -13.819 11.850 412 H ALA 57 H ALA 57 12.584 -11.238 11.595 413 HA ALA 57 HA ALA 57 14.335 -10.174 9.597 414 HB1 ALA 57 3HB ALA 57 14.809 -11.123 12.465 415 HB2 ALA 57 1HB ALA 57 15.978 -10.203 11.459 416 HB3 ALA 57 2HB ALA 57 14.424 -9.447 11.947 417 H LYS 58 H LYS 58 16.059 -11.159 8.513 418 HA LYS 58 HA LYS 58 15.942 -13.923 8.082 419 HB2 LYS 58 2HB LYS 58 16.883 -12.301 6.483 420 HB3 LYS 58 3HB LYS 58 18.174 -11.889 7.619 421 HG2 LYS 58 2HG LYS 58 19.131 -13.373 5.999 422 HG3 LYS 58 3HG LYS 58 18.962 -14.304 7.493 423 HD2 LYS 58 2HD LYS 58 16.885 -15.350 6.661 424 HD3 LYS 58 3HD LYS 58 16.917 -14.338 5.211 425 HE2 LYS 58 2HE LYS 58 19.105 -15.363 4.548 426 HE3 LYS 58 3HE LYS 58 19.063 -16.381 5.994 427 HZ1 LYS 58 3HZ LYS 58 17.065 -16.425 3.824 428 HZ2 LYS 58 1HZ LYS 58 18.232 -17.539 4.072 429 HZ3 LYS 58 2HZ LYS 58 17.026 -17.365 5.158 430 H ASP 59 H ASP 59 17.652 -11.974 10.549 431 HA ASP 59 HA ASP 59 19.445 -14.117 11.239 432 HB2 ASP 59 2HB ASP 59 18.704 -11.438 12.497 433 HB3 ASP 59 3HB ASP 59 19.832 -12.567 13.259 434 H GLY 60 H GLY 60 16.076 -13.481 11.815 435 HA2 GLY 60 2HA GLY 60 14.631 -14.871 12.846 436 HA3 GLY 60 3HA GLY 60 15.985 -15.890 13.352 437 H SER 61 H SER 61 16.205 -12.451 14.179 438 HA SER 61 HA SER 61 16.193 -13.262 16.973 439 HB2 SER 61 2HB SER 61 17.176 -11.070 17.347 440 HB3 SER 61 3HB SER 61 18.026 -11.886 16.028 441 HG SER 61 HG SER 61 17.554 -9.672 15.542 442 H MET 62 H MET 62 14.096 -11.562 14.650 443 HA MET 62 HA MET 62 12.165 -11.024 16.731 444 HB2 MET 62 2HB MET 62 12.115 -8.608 16.363 445 HB3 MET 62 3HB MET 62 13.695 -9.106 16.983 446 HG2 MET 62 2HG MET 62 14.604 -9.027 14.642 447 HG3 MET 62 3HG MET 62 13.032 -8.449 14.075 448 HE1 MET 62 3HE MET 62 12.345 -5.700 16.419 449 HE2 MET 62 1HE MET 62 12.627 -5.041 14.772 450 HE3 MET 62 2HE MET 62 11.830 -6.638 14.976 451 H GLY 63 H GLY 63 10.083 -10.189 15.790 452 HA2 GLY 63 2HA GLY 63 9.897 -9.648 13.015 453 HA3 GLY 63 3HA GLY 63 9.382 -11.308 13.340 454 H PHE 64 H PHE 64 7.474 -9.583 12.313 455 HA PHE 64 HA PHE 64 5.801 -9.013 14.667 456 HB2 PHE 64 2HB PHE 64 6.230 -7.216 12.231 457 HB3 PHE 64 3HB PHE 64 5.013 -6.955 13.487 458 HD1 PHE 64 HD1 PHE 64 5.735 -6.427 15.834 459 HD2 PHE 64 HD2 PHE 64 8.521 -6.607 12.569 460 HE1 PHE 64 HE1 PHE 64 7.388 -5.159 17.172 461 HE2 PHE 64 HE2 PHE 64 10.173 -5.344 13.910 462 HZ PHE 64 HZ PHE 64 9.609 -4.617 16.213 463 H ASP 65 H ASP 65 3.581 -9.496 14.396 464 HA ASP 65 HA ASP 65 2.817 -10.441 11.710 465 HB2 ASP 65 2HB ASP 65 2.555 -12.068 13.570 466 HB3 ASP 65 3HB ASP 65 1.552 -10.910 14.453 467 H PHE 66 H PHE 66 1.667 -9.002 10.486 468 HA PHE 66 HA PHE 66 0.253 -6.868 11.956 469 HB2 PHE 66 2HB PHE 66 1.584 -6.955 9.209 470 HB3 PHE 66 3HB PHE 66 0.499 -5.652 9.714 471 HD1 PHE 66 HD1 PHE 66 1.512 -5.819 12.723 472 HD2 PHE 66 HD2 PHE 66 3.460 -5.426 8.913 473 HE1 PHE 66 HE1 PHE 66 3.410 -4.656 13.809 474 HE2 PHE 66 HE2 PHE 66 5.359 -4.273 10.002 475 HZ PHE 66 HZ PHE 66 5.336 -3.885 12.454 476 H ALA 67 H ALA 67 -1.907 -6.360 11.398 477 HA ALA 67 HA ALA 67 -3.149 -8.039 9.344 478 HB1 ALA 67 3HB ALA 67 -4.059 -7.836 12.257 479 HB2 ALA 67 1HB ALA 67 -4.970 -8.629 10.928 480 HB3 ALA 67 2HB ALA 67 -3.386 -9.293 11.451 481 H GLY 68 H GLY 68 -5.078 -7.125 8.423 482 HA2 GLY 68 2HA GLY 68 -6.202 -4.772 9.690 483 HA3 GLY 68 3HA GLY 68 -5.377 -4.468 8.156 484 H THR 69 H THR 69 -8.086 -3.892 8.265 485 HA THR 69 HA THR 69 -9.170 -6.058 6.615 486 HB THR 69 HB THR 69 -11.416 -5.644 7.605 487 HG1 THR 69 HG1 THR 69 -11.487 -4.393 9.609 488 HG21 THR 69 3HG2 THR 69 -9.262 -6.335 9.663 489 HG22 THR 69 1HG2 THR 69 -11.008 -6.735 9.792 490 HG23 THR 69 2HG2 THR 69 -10.012 -7.470 8.491 491 H TYR 70 H TYR 70 -10.595 -5.340 4.892 492 HA TYR 70 HA TYR 70 -10.213 -2.574 4.141 493 HB2 TYR 70 2HB TYR 70 -11.652 -4.958 2.879 494 HB3 TYR 70 3HB TYR 70 -11.618 -3.347 2.150 495 HD1 TYR 70 HD1 TYR 70 -9.136 -2.296 1.954 496 HD2 TYR 70 HD2 TYR 70 -10.030 -6.489 2.208 497 HE1 TYR 70 HE1 TYR 70 -6.963 -2.821 0.888 498 HE2 TYR 70 HE2 TYR 70 -7.855 -7.019 1.148 499 HH TYR 70 HH TYR 70 -5.472 -5.659 1.045 500 H THR 71 H THR 71 -11.857 -0.977 3.930 501 HA THR 71 HA THR 71 -14.304 -1.663 5.404 502 HB THR 71 HB THR 71 -14.429 0.725 6.017 503 HG1 THR 71 HG1 THR 71 -12.972 2.207 5.256 504 HG21 THR 71 3HG2 THR 71 -11.676 -0.488 6.570 505 HG22 THR 71 1HG2 THR 71 -12.450 0.836 7.505 506 HG23 THR 71 2HG2 THR 71 -13.180 -0.806 7.498 507 H LYS 72 H LYS 72 -12.899 -0.190 2.440 508 HA LYS 72 HA LYS 72 -15.552 -0.019 1.276 509 HB2 LYS 72 2HB LYS 72 -15.214 2.144 2.529 510 HB3 LYS 72 3HB LYS 72 -13.763 2.442 1.563 511 HG2 LYS 72 2HG LYS 72 -15.083 2.569 -0.494 512 HG3 LYS 72 3HG LYS 72 -16.549 2.069 0.360 513 HD2 LYS 72 2HD LYS 72 -16.334 4.134 1.824 514 HD3 LYS 72 3HD LYS 72 -14.961 4.647 0.834 515 HE2 LYS 72 2HE LYS 72 -16.398 4.683 -1.189 516 HE3 LYS 72 3HE LYS 72 -17.772 4.089 -0.248 517 HZ1 LYS 72 3HZ LYS 72 -16.384 6.654 0.202 518 HZ2 LYS 72 1HZ LYS 72 -17.842 6.467 -0.510 519 HZ3 LYS 72 2HZ LYS 72 -17.653 6.105 1.071 520 H VAL 73 H VAL 73 -15.443 -0.526 -0.902 521 HA VAL 73 HA VAL 73 -12.983 0.247 -2.281 522 HB VAL 73 HB VAL 73 -14.393 -2.457 -2.575 523 HG11 VAL 73 1HG1 VAL 73 -12.576 -2.974 -4.174 524 HG12 VAL 73 2HG1 VAL 73 -13.578 -1.589 -4.726 525 HG13 VAL 73 3HG1 VAL 73 -11.958 -1.296 -4.007 526 HG21 VAL 73 3HG2 VAL 73 -13.014 -2.325 -0.544 527 HG22 VAL 73 1HG2 VAL 73 -12.251 -3.397 -1.766 528 HG23 VAL 73 2HG2 VAL 73 -11.622 -1.734 -1.513 529 H VAL 74 H VAL 74 -13.434 1.374 -4.166 530 HA VAL 74 HA VAL 74 -16.149 1.083 -5.240 531 HB VAL 74 HB VAL 74 -14.669 3.698 -4.660 532 HG11 VAL 74 1HG1 VAL 74 -16.698 4.801 -5.554 533 HG12 VAL 74 2HG1 VAL 74 -15.876 3.802 -6.800 534 HG13 VAL 74 3HG1 VAL 74 -17.367 3.196 -6.003 535 HG21 VAL 74 3HG2 VAL 74 -15.695 2.696 -2.666 536 HG22 VAL 74 1HG2 VAL 74 -16.593 4.165 -3.176 537 HG23 VAL 74 2HG2 VAL 74 -17.259 2.536 -3.534 538 H GLU 75 H GLU 75 -16.085 0.662 -7.435 539 HA GLU 75 HA GLU 75 -15.359 0.585 -9.540 540 HB2 GLU 75 2HB GLU 75 -14.497 3.422 -8.796 541 HB3 GLU 75 3HB GLU 75 -14.570 2.800 -10.450 542 HG2 GLU 75 2HG GLU 75 -17.019 2.416 -10.206 543 HG3 GLU 75 3HG GLU 75 -16.953 3.012 -8.542 544 H ASN 76 H ASN 76 -13.443 -0.522 -7.591 545 HA ASN 76 HA ASN 76 -11.278 -0.886 -7.200 546 HB2 ASN 76 2HB ASN 76 -11.207 -0.807 -10.241 547 HB3 ASN 76 3HB ASN 76 -9.991 -1.552 -9.196 548 HD21 ASN 76 1HD2 ASN 76 -12.623 -2.123 -11.064 549 HD22 ASN 76 2HD2 ASN 76 -13.070 -3.678 -10.444 550 H LYS 77 H LYS 77 -11.619 1.825 -6.696 551 HA LYS 77 HA LYS 77 -9.474 3.186 -8.124 552 HB2 LYS 77 2HB LYS 77 -11.448 3.411 -9.604 553 HB3 LYS 77 3HB LYS 77 -12.409 4.029 -8.254 554 HG2 LYS 77 2HG LYS 77 -10.960 6.024 -8.092 555 HG3 LYS 77 3HG LYS 77 -9.907 5.395 -9.366 556 HD2 LYS 77 2HD LYS 77 -11.854 5.410 -10.959 557 HD3 LYS 77 3HD LYS 77 -12.879 6.081 -9.683 558 HE2 LYS 77 2HE LYS 77 -11.357 8.067 -9.512 559 HE3 LYS 77 3HE LYS 77 -10.345 7.398 -10.800 560 HZ1 LYS 77 3HZ LYS 77 -13.187 8.141 -11.082 561 HZ2 LYS 77 1HZ LYS 77 -11.915 8.994 -11.648 562 HZ3 LYS 77 2HZ LYS 77 -12.254 7.523 -12.270 563 H ARG 78 H ARG 78 -12.013 3.066 -5.570 564 HA ARG 78 HA ARG 78 -10.235 4.794 -4.001 565 HB2 ARG 78 2HB ARG 78 -13.249 5.031 -4.165 566 HB3 ARG 78 3HB ARG 78 -12.252 5.770 -2.906 567 HG2 ARG 78 2HG ARG 78 -11.018 7.055 -4.647 568 HG3 ARG 78 3HG ARG 78 -12.036 6.327 -5.897 569 HD2 ARG 78 2HD ARG 78 -14.024 7.331 -4.848 570 HD3 ARG 78 3HD ARG 78 -12.992 8.076 -3.620 571 HE ARG 78 HE ARG 78 -11.992 8.905 -6.099 572 HH11 ARG 78 1HH1 ARG 78 -15.022 9.199 -4.339 573 HH12 ARG 78 2HH1 ARG 78 -15.403 10.743 -5.025 574 HH21 ARG 78 1HH2 ARG 78 -12.501 10.880 -6.978 575 HH22 ARG 78 2HH2 ARG 78 -13.958 11.708 -6.540 576 H ILE 79 H ILE 79 -9.615 3.812 -2.103 577 HA ILE 79 HA ILE 79 -11.250 1.583 -1.170 578 HB ILE 79 HB ILE 79 -9.707 0.611 -2.845 579 HG12 ILE 79 2HG1 ILE 79 -8.714 -0.057 -0.039 580 HG13 ILE 79 3HG1 ILE 79 -10.310 -0.538 -0.629 581 HG21 ILE 79 1HG2 ILE 79 -7.263 0.686 -2.484 582 HG22 ILE 79 2HG2 ILE 79 -7.948 2.322 -2.765 583 HG23 ILE 79 3HG2 ILE 79 -7.506 1.807 -1.102 584 HD11 ILE 79 3HD1 ILE 79 -7.637 -1.319 -1.880 585 HD12 ILE 79 1HD1 ILE 79 -8.690 -2.366 -0.869 586 HD13 ILE 79 2HD1 ILE 79 -9.258 -1.808 -2.479 587 H GLU 80 H GLU 80 -11.278 1.511 1.067 588 HA GLU 80 HA GLU 80 -9.071 2.899 2.450 589 HB2 GLU 80 2HB GLU 80 -11.171 4.233 2.461 590 HB3 GLU 80 3HB GLU 80 -12.047 2.858 3.148 591 HG2 GLU 80 2HG GLU 80 -10.487 2.959 5.154 592 HG3 GLU 80 3HG GLU 80 -9.796 4.441 4.478 593 H TYR 81 H TYR 81 -8.246 1.892 4.323 594 HA TYR 81 HA TYR 81 -9.545 -0.546 5.242 595 HB2 TYR 81 2HB TYR 81 -7.458 -1.863 4.952 596 HB3 TYR 81 3HB TYR 81 -8.185 -1.392 3.410 597 HD1 TYR 81 HD1 TYR 81 -7.092 0.251 1.948 598 HD2 TYR 81 HD2 TYR 81 -5.322 -0.891 5.688 599 HE1 TYR 81 HE1 TYR 81 -4.950 1.263 1.238 600 HE2 TYR 81 HE2 TYR 81 -3.175 0.118 4.984 601 HH TYR 81 HH TYR 81 -2.708 1.340 1.678 602 H ALA 82 H ALA 82 -8.452 -1.408 7.253 603 HA ALA 82 HA ALA 82 -7.022 0.776 8.638 604 HB1 ALA 82 3HB ALA 82 -8.943 -1.337 9.733 605 HB2 ALA 82 1HB ALA 82 -8.046 -0.126 10.712 606 HB3 ALA 82 2HB ALA 82 -9.288 0.414 9.532 607 H PHE 83 H PHE 83 -5.078 0.284 9.667 608 HA PHE 83 HA PHE 83 -4.178 -2.497 9.251 609 HB2 PHE 83 2HB PHE 83 -3.268 -0.944 7.538 610 HB3 PHE 83 3HB PHE 83 -2.654 0.117 8.812 611 HD1 PHE 83 HD1 PHE 83 -2.317 -3.275 7.302 612 HD2 PHE 83 HD2 PHE 83 -0.588 -0.333 9.910 613 HE1 PHE 83 HE1 PHE 83 -0.208 -4.569 7.363 614 HE2 PHE 83 HE2 PHE 83 1.523 -1.627 9.967 615 HZ PHE 83 HZ PHE 83 1.715 -3.748 8.695 616 H GLY 84 H GLY 84 -4.058 -3.370 11.315 617 HA2 GLY 84 2HA GLY 84 -3.443 -3.596 13.460 618 HA3 GLY 84 3HA GLY 84 -2.252 -2.313 13.210 619 H ASP 85 H ASP 85 -2.506 -0.634 14.647 620 HA ASP 85 HA ASP 85 -5.246 0.027 15.475 621 HB2 ASP 85 2HB ASP 85 -4.146 1.323 17.252 622 HB3 ASP 85 3HB ASP 85 -3.622 -0.366 17.273 623 H ARG 86 H ARG 86 -3.630 0.721 12.803 624 HA ARG 86 HA ARG 86 -4.194 3.606 12.997 625 HB2 ARG 86 2HB ARG 86 -2.050 2.207 11.379 626 HB3 ARG 86 3HB ARG 86 -2.516 3.902 11.185 627 HG2 ARG 86 2HG ARG 86 -1.882 4.344 13.550 628 HG3 ARG 86 3HG ARG 86 -1.409 2.650 13.737 629 HD2 ARG 86 2HD ARG 86 -0.185 4.617 11.791 630 HD3 ARG 86 3HD ARG 86 0.480 4.183 13.372 631 HE ARG 86 HE ARG 86 0.685 2.676 10.926 632 HH11 ARG 86 1HH1 ARG 86 0.655 2.369 14.428 633 HH12 ARG 86 2HH1 ARG 86 1.511 0.864 14.417 634 HH21 ARG 86 1HH2 ARG 86 1.790 0.753 10.930 635 HH22 ARG 86 2HH2 ARG 86 2.164 -0.064 12.411 636 H THR 87 H THR 87 -4.713 4.586 10.735 637 HA THR 87 HA THR 87 -6.205 2.603 9.162 638 HB THR 87 HB THR 87 -7.977 4.303 8.808 639 HG1 THR 87 HG1 THR 87 -7.927 6.225 10.183 640 HG21 THR 87 3HG2 THR 87 -7.367 3.792 11.760 641 HG22 THR 87 1HG2 THR 87 -8.962 4.258 11.081 642 HG23 THR 87 2HG2 THR 87 -8.229 2.677 10.647 643 H ALA 88 H ALA 88 -6.512 3.220 6.854 644 HA ALA 88 HA ALA 88 -5.012 5.549 5.953 645 HB1 ALA 88 3HB ALA 88 -4.419 2.695 5.027 646 HB2 ALA 88 1HB ALA 88 -3.767 4.194 4.285 647 HB3 ALA 88 2HB ALA 88 -3.320 3.758 5.969 648 H LYS 89 H LYS 89 -5.697 6.315 3.874 649 HA LYS 89 HA LYS 89 -7.839 4.739 2.616 650 HB2 LYS 89 2HB LYS 89 -8.828 6.559 4.011 651 HB3 LYS 89 3HB LYS 89 -7.851 7.750 3.142 652 HG2 LYS 89 2HG LYS 89 -9.018 7.216 1.030 653 HG3 LYS 89 3HG LYS 89 -9.943 5.941 1.835 654 HD2 LYS 89 2HD LYS 89 -10.958 7.634 3.367 655 HD3 LYS 89 3HD LYS 89 -10.022 8.913 2.583 656 HE2 LYS 89 2HE LYS 89 -11.143 8.437 0.416 657 HE3 LYS 89 3HE LYS 89 -12.043 7.106 1.155 658 HZ1 LYS 89 3HZ LYS 89 -12.248 9.942 1.942 659 HZ2 LYS 89 1HZ LYS 89 -13.346 9.112 1.064 660 HZ3 LYS 89 2HZ LYS 89 -13.079 8.714 2.625 661 H VAL 90 H VAL 90 -7.573 4.506 0.413 662 HA VAL 90 HA VAL 90 -5.420 6.140 -0.745 663 HB VAL 90 HB VAL 90 -6.161 3.227 -1.333 664 HG11 VAL 90 1HG1 VAL 90 -4.132 3.236 -2.750 665 HG12 VAL 90 2HG1 VAL 90 -5.359 4.411 -3.331 666 HG13 VAL 90 3HG1 VAL 90 -3.919 4.989 -2.426 667 HG21 VAL 90 3HG2 VAL 90 -5.041 3.491 0.840 668 HG22 VAL 90 1HG2 VAL 90 -3.948 2.706 -0.350 669 HG23 VAL 90 2HG2 VAL 90 -3.729 4.440 0.063 670 H GLU 91 H GLU 91 -5.830 7.137 -2.738 671 HA GLU 91 HA GLU 91 -8.291 6.286 -4.124 672 HB2 GLU 91 2HB GLU 91 -7.160 9.101 -3.753 673 HB3 GLU 91 3HB GLU 91 -8.479 8.689 -4.857 674 HG2 GLU 91 2HG GLU 91 -9.828 7.873 -2.896 675 HG3 GLU 91 3HG GLU 91 -8.518 8.367 -1.815 676 H PHE 92 H PHE 92 -8.194 6.228 -6.430 677 HA PHE 92 HA PHE 92 -5.465 6.578 -7.508 678 HB2 PHE 92 2HB PHE 92 -7.650 4.581 -8.276 679 HB3 PHE 92 3HB PHE 92 -6.129 4.800 -9.152 680 HD1 PHE 92 HD1 PHE 92 -7.604 3.739 -5.898 681 HD2 PHE 92 HD2 PHE 92 -4.097 3.812 -8.379 682 HE1 PHE 92 HE1 PHE 92 -6.500 2.119 -4.386 683 HE2 PHE 92 HE2 PHE 92 -2.997 2.187 -6.870 684 HZ PHE 92 HZ PHE 92 -4.196 1.338 -4.870 685 H LEU 93 H LEU 93 -5.258 8.078 -9.127 686 HA LEU 93 HA LEU 93 -7.777 9.042 -10.336 687 HB2 LEU 93 2HB LEU 93 -6.748 10.701 -8.858 688 HB3 LEU 93 3HB LEU 93 -5.172 10.476 -9.629 689 HG LEU 93 HG LEU 93 -6.169 11.361 -11.795 690 HD11 LEU 93 1HD1 LEU 93 -8.305 12.586 -11.646 691 HD12 LEU 93 2HD1 LEU 93 -8.525 10.836 -11.307 692 HD13 LEU 93 3HD1 LEU 93 -8.516 12.018 -9.955 693 HD21 LEU 93 3HD2 LEU 93 -4.844 12.770 -10.261 694 HD22 LEU 93 1HD2 LEU 93 -6.164 13.713 -11.030 695 HD23 LEU 93 2HD2 LEU 93 -6.328 13.162 -9.329 696 H GLU 94 H GLU 94 -7.989 8.797 -12.524 697 HA GLU 94 HA GLU 94 -5.768 7.755 -14.025 698 HB2 GLU 94 2HB GLU 94 -8.135 7.034 -14.364 699 HB3 GLU 94 3HB GLU 94 -8.559 8.676 -14.869 700 HG2 GLU 94 2HG GLU 94 -7.004 8.485 -16.809 701 HG3 GLU 94 3HG GLU 94 -6.569 6.848 -16.302 702 H ALA 95 H ALA 95 -4.175 9.002 -14.911 703 HA ALA 95 HA ALA 95 -4.905 11.760 -15.662 704 HB1 ALA 95 3HB ALA 95 -2.195 10.481 -15.058 705 HB2 ALA 95 1HB ALA 95 -2.464 12.187 -15.551 706 HB3 ALA 95 2HB ALA 95 -3.112 11.592 -13.985 707 HA PRO 96 HA PRO 96 -4.180 10.858 -19.930 708 HB2 PRO 96 2HB PRO 96 -2.862 13.163 -20.763 709 HB3 PRO 96 3HB PRO 96 -4.586 13.185 -20.368 710 HG2 PRO 96 2HG PRO 96 -2.222 13.983 -18.635 711 HG3 PRO 96 3HG PRO 96 -3.754 14.832 -18.881 712 HD2 PRO 96 2HD PRO 96 -3.355 13.312 -16.665 713 HD3 PRO 96 3HD PRO 96 -4.948 13.385 -17.428 714 H GLN 97 H GLN 97 -1.364 11.630 -17.892 715 HA GLN 97 HA GLN 97 0.339 10.467 -19.984 716 HB2 GLN 97 2HB GLN 97 0.990 12.054 -17.450 717 HB3 GLN 97 3HB GLN 97 2.195 11.394 -18.563 718 HG2 GLN 97 2HG GLN 97 1.271 12.808 -20.398 719 HG3 GLN 97 3HG GLN 97 0.071 13.470 -19.282 720 HE21 GLN 97 1HE2 GLN 97 1.209 15.493 -20.094 721 HE22 GLN 97 2HE2 GLN 97 2.567 16.058 -19.179 722 H GLY 98 H GLY 98 -1.363 9.595 -17.110 723 HA2 GLY 98 2HA GLY 98 -0.263 7.048 -16.944 724 HA3 GLY 98 3HA GLY 98 0.634 8.065 -15.809 725 H VAL 99 H VAL 99 -0.432 6.416 -14.235 726 HA VAL 99 HA VAL 99 -3.007 7.586 -13.432 727 HB VAL 99 HB VAL 99 -1.860 4.792 -12.938 728 HG11 VAL 99 1HG1 VAL 99 -3.966 4.337 -11.717 729 HG12 VAL 99 2HG1 VAL 99 -2.993 5.619 -10.920 730 HG13 VAL 99 3HG1 VAL 99 -4.435 6.062 -11.895 731 HG21 VAL 99 3HG2 VAL 99 -2.839 5.109 -15.170 732 HG22 VAL 99 1HG2 VAL 99 -3.876 4.043 -14.162 733 HG23 VAL 99 2HG2 VAL 99 -4.343 5.757 -14.432 734 H THR 100 H THR 100 -3.079 8.606 -11.430 735 HA THR 100 HA THR 100 -0.544 8.612 -9.976 736 HB THR 100 HB THR 100 -2.944 10.515 -9.936 737 HG1 THR 100 HG1 THR 100 -0.193 10.914 -10.801 738 HG21 THR 100 3HG2 THR 100 -0.272 10.668 -8.455 739 HG22 THR 100 1HG2 THR 100 -1.527 11.952 -8.496 740 HG23 THR 100 2HG2 THR 100 -1.880 10.375 -7.712 741 H VAL 101 H VAL 101 -0.377 7.775 -7.897 742 HA VAL 101 HA VAL 101 -2.889 6.781 -6.749 743 HB VAL 101 HB VAL 101 -0.002 5.881 -6.275 744 HG11 VAL 101 1HG1 VAL 101 -1.038 3.997 -5.044 745 HG12 VAL 101 2HG1 VAL 101 -1.421 5.580 -4.289 746 HG13 VAL 101 3HG1 VAL 101 -2.657 4.737 -5.284 747 HG21 VAL 101 3HG2 VAL 101 -0.808 5.284 -8.519 748 HG22 VAL 101 1HG2 VAL 101 -0.684 3.826 -7.477 749 HG23 VAL 101 2HG2 VAL 101 -2.290 4.559 -7.808 750 H ARG 102 H ARG 102 -3.640 7.836 -4.940 751 HA ARG 102 HA ARG 102 -1.657 9.403 -3.428 752 HB2 ARG 102 2HB ARG 102 -3.222 10.848 -4.514 753 HB3 ARG 102 3HB ARG 102 -4.598 9.907 -3.924 754 HG2 ARG 102 2HG ARG 102 -4.023 10.531 -1.588 755 HG3 ARG 102 3HG ARG 102 -2.647 11.472 -2.178 756 HD2 ARG 102 2HD ARG 102 -5.549 11.979 -2.867 757 HD3 ARG 102 3HD ARG 102 -4.627 12.824 -1.617 758 HE ARG 102 HE ARG 102 -3.168 13.157 -3.963 759 HH11 ARG 102 1HH1 ARG 102 -6.439 13.912 -2.919 760 HH12 ARG 102 2HH1 ARG 102 -6.553 15.325 -3.914 761 HH21 ARG 102 1HH2 ARG 102 -3.332 14.962 -5.240 762 HH22 ARG 102 2HH2 ARG 102 -4.770 15.928 -5.248 763 H VAL 103 H VAL 103 -1.221 8.726 -1.374 764 HA VAL 103 HA VAL 103 -3.258 7.018 -0.119 765 HB VAL 103 HB VAL 103 -0.209 6.841 0.103 766 HG11 VAL 103 1HG1 VAL 103 -0.652 4.807 1.446 767 HG12 VAL 103 2HG1 VAL 103 -1.333 6.278 2.218 768 HG13 VAL 103 3HG1 VAL 103 -2.415 5.135 1.353 769 HG21 VAL 103 3HG2 VAL 103 -1.048 6.000 -2.047 770 HG22 VAL 103 1HG2 VAL 103 -0.486 4.648 -1.007 771 HG23 VAL 103 2HG2 VAL 103 -2.244 4.969 -1.191 772 H SER 104 H SER 104 -4.086 7.891 1.766 773 HA SER 104 HA SER 104 -2.230 9.543 3.367 774 HB2 SER 104 2HB SER 104 -5.276 9.518 3.180 775 HB3 SER 104 3HB SER 104 -4.368 10.396 4.419 776 HG SER 104 HG SER 104 -4.917 11.731 2.609 777 H PHE 105 H PHE 105 -1.653 8.794 5.381 778 HA PHE 105 HA PHE 105 -3.253 6.644 6.552 779 HB2 PHE 105 2HB PHE 105 -1.282 5.233 6.870 780 HB3 PHE 105 3HB PHE 105 -1.560 5.516 5.147 781 HD1 PHE 105 HD1 PHE 105 -0.083 7.060 3.871 782 HD2 PHE 105 HD2 PHE 105 0.703 6.044 7.971 783 HE1 PHE 105 HE1 PHE 105 2.244 7.875 3.629 784 HE2 PHE 105 HE2 PHE 105 3.027 6.859 7.727 785 HZ PHE 105 HZ PHE 105 3.802 7.777 5.558 786 H VAL 106 H VAL 106 -2.774 6.307 8.867 787 HA VAL 106 HA VAL 106 -2.120 8.779 10.127 788 HB VAL 106 HB VAL 106 -2.718 5.986 11.229 789 HG11 VAL 106 1HG1 VAL 106 -3.049 7.116 13.406 790 HG12 VAL 106 2HG1 VAL 106 -1.357 7.269 12.823 791 HG13 VAL 106 3HG1 VAL 106 -2.483 8.661 12.685 792 HG21 VAL 106 3HG2 VAL 106 -4.596 7.024 10.031 793 HG22 VAL 106 1HG2 VAL 106 -4.914 6.975 11.798 794 HG23 VAL 106 2HG2 VAL 106 -4.418 8.515 11.018 795 H ALA 107 H ALA 107 -0.192 9.405 11.113 796 HA ALA 107 HA ALA 107 2.132 7.802 10.702 797 HB1 ALA 107 3HB ALA 107 1.639 10.327 12.355 798 HB2 ALA 107 1HB ALA 107 3.246 9.635 11.953 799 HB3 ALA 107 2HB ALA 107 2.186 10.264 10.646 800 H GLU 108 H GLU 108 3.305 6.520 12.143 801 HA GLU 108 HA GLU 108 1.878 5.710 14.527 802 HB2 GLU 108 2HB GLU 108 2.992 4.085 12.996 803 HB3 GLU 108 3HB GLU 108 4.555 4.838 13.337 804 HG2 GLU 108 2HG GLU 108 4.391 4.182 15.714 805 HG3 GLU 108 3HG GLU 108 2.777 3.511 15.444 806 H THR 109 H THR 109 2.306 6.367 16.614 807 HA THR 109 HA THR 109 3.834 8.695 16.906 808 HB THR 109 HB THR 109 3.330 8.441 19.332 809 HG1 THR 109 HG1 THR 109 2.077 6.542 19.969 810 HG21 THR 109 3HG2 THR 109 0.988 7.735 17.495 811 HG22 THR 109 1HG2 THR 109 0.859 8.436 19.144 812 HG23 THR 109 2HG2 THR 109 1.620 9.384 17.822 813 H GLU 110 H GLU 110 4.686 5.266 17.099 814 HA GLU 110 HA GLU 110 6.839 5.597 18.946 815 HB2 GLU 110 2HB GLU 110 6.079 3.405 16.961 816 HB3 GLU 110 3HB GLU 110 7.451 3.288 18.070 817 HG2 GLU 110 2HG GLU 110 5.919 3.479 20.015 818 HG3 GLU 110 3HG GLU 110 4.537 3.654 18.926 819 H TYR 111 H TYR 111 6.413 6.378 15.572 820 HA TYR 111 HA TYR 111 9.341 6.589 15.316 821 HB2 TYR 111 2HB TYR 111 7.300 5.668 13.234 822 HB3 TYR 111 3HB TYR 111 8.968 6.116 12.853 823 HD1 TYR 111 HD1 TYR 111 6.797 3.590 14.448 824 HD2 TYR 111 HD2 TYR 111 10.843 4.675 13.511 825 HE1 TYR 111 HE1 TYR 111 7.530 1.283 14.958 826 HE2 TYR 111 HE2 TYR 111 11.582 2.370 14.015 827 HH TYR 111 HH TYR 111 10.994 0.338 14.654 828 HA PRO 112 HA PRO 112 8.687 10.837 14.229 829 HB2 PRO 112 2HB PRO 112 10.687 10.279 12.000 830 HB3 PRO 112 3HB PRO 112 10.760 11.523 13.255 831 HG2 PRO 112 2HG PRO 112 12.345 9.387 13.445 832 HG3 PRO 112 3HG PRO 112 11.559 10.012 14.900 833 HD2 PRO 112 2HD PRO 112 10.798 7.592 13.214 834 HD3 PRO 112 3HD PRO 112 10.812 7.757 14.975 835 H VAL 113 H VAL 113 7.453 12.100 12.914 836 HA VAL 113 HA VAL 113 5.723 10.813 11.182 837 HB VAL 113 HB VAL 113 6.546 13.748 11.424 838 HG11 VAL 113 1HG1 VAL 113 4.480 14.275 10.167 839 HG12 VAL 113 2HG1 VAL 113 5.648 13.340 9.173 840 HG13 VAL 113 3HG1 VAL 113 4.213 12.522 9.880 841 HG21 VAL 113 3HG2 VAL 113 5.479 12.785 13.418 842 HG22 VAL 113 1HG2 VAL 113 4.382 13.955 12.610 843 HG23 VAL 113 2HG2 VAL 113 4.112 12.190 12.416 844 H GLU 114 H GLU 114 8.763 12.706 10.485 845 HA GLU 114 HA GLU 114 8.492 12.587 7.682 846 HB2 GLU 114 2HB GLU 114 10.880 12.927 9.550 847 HB3 GLU 114 3HB GLU 114 11.012 13.019 7.789 848 HG2 GLU 114 2HG GLU 114 9.486 14.948 7.730 849 HG3 GLU 114 3HG GLU 114 9.197 14.816 9.469 850 H GLN 115 H GLN 115 9.998 10.352 10.110 851 HA GLN 115 HA GLN 115 11.301 8.732 8.212 852 HB2 GLN 115 2HB GLN 115 11.791 8.777 10.657 853 HB3 GLN 115 3HB GLN 115 10.198 8.088 10.994 854 HG2 GLN 115 2HG GLN 115 11.871 6.335 11.118 855 HG3 GLN 115 3HG GLN 115 10.816 6.033 9.732 856 HE21 GLN 115 1HE2 GLN 115 12.075 5.036 8.259 857 HE22 GLN 115 2HE2 GLN 115 13.599 5.616 7.676 858 H GLN 116 H GLN 116 7.960 8.648 9.646 859 HA GLN 116 HA GLN 116 7.247 6.183 8.476 860 HB2 GLN 116 2HB GLN 116 5.730 8.598 9.539 861 HB3 GLN 116 3HB GLN 116 4.873 7.256 8.770 862 HG2 GLN 116 2HG GLN 116 6.682 7.054 11.223 863 HG3 GLN 116 3HG GLN 116 4.914 7.038 11.231 864 HE21 GLN 116 1HE2 GLN 116 3.975 5.314 9.590 865 HE22 GLN 116 2HE2 GLN 116 4.690 3.740 9.699 866 H GLN 117 H GLN 117 6.989 9.633 7.338 867 HA GLN 117 HA GLN 117 5.447 9.071 5.067 868 HB2 GLN 117 2HB GLN 117 5.792 11.333 6.008 869 HB3 GLN 117 3HB GLN 117 7.517 11.254 5.629 870 HG2 GLN 117 2HG GLN 117 6.974 11.118 3.199 871 HG3 GLN 117 3HG GLN 117 5.249 11.204 3.582 872 HE21 GLN 117 1HE2 GLN 117 5.747 13.098 1.982 873 HE22 GLN 117 2HE2 GLN 117 6.038 14.638 2.719 874 H GLN 118 H GLN 118 9.072 9.279 5.511 875 HA GLN 118 HA GLN 118 9.559 8.926 2.736 876 HB2 GLN 118 2HB GLN 118 11.282 8.705 5.248 877 HB3 GLN 118 3HB GLN 118 11.931 8.464 3.620 878 HG2 GLN 118 2HG GLN 118 11.300 10.758 2.986 879 HG3 GLN 118 3HG GLN 118 10.527 11.010 4.556 880 HE21 GLN 118 1HE2 GLN 118 12.342 12.832 3.974 881 HE22 GLN 118 2HE2 GLN 118 13.833 12.592 4.822 882 H GLY 119 H GLY 119 9.521 6.684 5.610 883 HA2 GLY 119 2HA GLY 119 10.563 4.454 4.257 884 HA3 GLY 119 3HA GLY 119 9.563 4.445 5.716 885 H TRP 120 H TRP 120 7.116 5.575 4.742 886 HA TRP 120 HA TRP 120 5.971 3.386 3.384 887 HB2 TRP 120 2HB TRP 120 4.764 4.961 4.904 888 HB3 TRP 120 3HB TRP 120 4.986 6.262 3.726 889 HD1 TRP 120 HD1 TRP 120 3.370 6.316 1.611 890 HE1 TRP 120 HE1 TRP 120 1.235 4.996 0.983 891 HE3 TRP 120 HE3 TRP 120 3.690 2.560 5.104 892 HZ2 TRP 120 HZ2 TRP 120 -0.127 2.686 1.837 893 HZ3 TRP 120 HZ3 TRP 120 1.918 0.810 5.137 894 HH2 TRP 120 HH2 TRP 120 0.062 0.864 3.543 895 H GLN 121 H GLN 121 7.207 6.614 2.252 896 HA GLN 121 HA GLN 121 6.206 6.384 -0.364 897 HB2 GLN 121 2HB GLN 121 7.025 8.489 0.682 898 HB3 GLN 121 3HB GLN 121 8.668 7.836 0.733 899 HG2 GLN 121 2HG GLN 121 8.422 9.374 -1.150 900 HG3 GLN 121 3HG GLN 121 8.731 7.735 -1.736 901 HE21 GLN 121 1HE2 GLN 121 7.658 7.491 -3.603 902 HE22 GLN 121 2HE2 GLN 121 6.000 7.907 -3.886 903 H ALA 122 H ALA 122 9.218 5.148 1.215 904 HA ALA 122 HA ALA 122 10.546 4.376 -1.118 905 HB1 ALA 122 3HB ALA 122 10.498 3.114 1.669 906 HB2 ALA 122 1HB ALA 122 11.723 2.793 0.395 907 HB3 ALA 122 2HB ALA 122 11.586 4.432 1.116 908 H ILE 123 H ILE 123 7.917 2.750 0.773 909 HA ILE 123 HA ILE 123 8.021 0.351 -0.685 910 HB ILE 123 HB ILE 123 5.783 1.760 0.849 911 HG12 ILE 123 2HG1 ILE 123 7.413 -0.728 1.541 912 HG13 ILE 123 3HG1 ILE 123 7.860 0.903 2.059 913 HG21 ILE 123 1HG2 ILE 123 4.568 -0.393 0.770 914 HG22 ILE 123 2HG2 ILE 123 4.788 0.312 -0.867 915 HG23 ILE 123 3HG2 ILE 123 5.822 -1.056 -0.332 916 HD11 ILE 123 3HD1 ILE 123 5.256 -0.534 2.743 917 HD12 ILE 123 1HD1 ILE 123 6.662 -0.292 3.835 918 HD13 ILE 123 2HD1 ILE 123 5.710 1.122 3.270 919 H LEU 124 H LEU 124 6.101 3.426 -1.128 920 HA LEU 124 HA LEU 124 4.680 2.497 -3.388 921 HB2 LEU 124 2HB LEU 124 5.445 5.281 -2.389 922 HB3 LEU 124 3HB LEU 124 4.382 4.998 -3.773 923 HG LEU 124 HG LEU 124 3.822 4.027 -0.921 924 HD11 LEU 124 1HD1 LEU 124 2.113 5.807 -0.897 925 HD12 LEU 124 2HD1 LEU 124 3.765 6.482 -1.097 926 HD13 LEU 124 3HD1 LEU 124 2.666 6.363 -2.513 927 HD21 LEU 124 3HD2 LEU 124 2.832 2.610 -2.683 928 HD22 LEU 124 1HD2 LEU 124 1.569 3.556 -1.826 929 HD23 LEU 124 2HD2 LEU 124 2.118 4.064 -3.458 930 H ASN 125 H ASN 125 7.935 3.999 -2.965 931 HA ASN 125 HA ASN 125 8.385 4.481 -5.699 932 HB2 ASN 125 2HB ASN 125 10.215 3.959 -3.337 933 HB3 ASN 125 3HB ASN 125 10.833 4.259 -4.967 934 HD21 ASN 125 1HD2 ASN 125 11.493 5.873 -2.878 935 HD22 ASN 125 2HD2 ASN 125 10.833 7.450 -3.159 936 H ASN 126 H ASN 126 8.881 1.550 -3.605 937 HA ASN 126 HA ASN 126 10.069 -0.007 -5.625 938 HB2 ASN 126 2HB ASN 126 8.492 -0.660 -3.120 939 HB3 ASN 126 3HB ASN 126 9.100 -1.919 -4.203 940 HD21 ASN 126 1HD2 ASN 126 9.794 -1.544 -1.490 941 HD22 ASN 126 2HD2 ASN 126 11.510 -1.307 -1.444 942 H PHE 127 H PHE 127 6.617 0.681 -4.758 943 HA PHE 127 HA PHE 127 5.452 -1.155 -6.520 944 HB2 PHE 127 2HB PHE 127 4.243 0.100 -4.753 945 HB3 PHE 127 3HB PHE 127 4.534 1.618 -5.612 946 HD1 PHE 127 HD1 PHE 127 4.033 -0.894 -8.039 947 HD2 PHE 127 HD2 PHE 127 1.895 1.525 -5.205 948 HE1 PHE 127 HE1 PHE 127 1.947 -1.221 -9.330 949 HE2 PHE 127 HE2 PHE 127 -0.190 1.196 -6.497 950 HZ PHE 127 HZ PHE 127 -0.167 -0.182 -8.562 951 H LYS 128 H LYS 128 6.548 2.291 -7.039 952 HA LYS 128 HA LYS 128 5.708 2.462 -9.700 953 HB2 LYS 128 2HB LYS 128 6.418 4.372 -8.279 954 HB3 LYS 128 3HB LYS 128 8.077 3.759 -8.268 955 HG2 LYS 128 2HG LYS 128 8.306 4.143 -10.671 956 HG3 LYS 128 3HG LYS 128 6.593 4.555 -10.819 957 HD2 LYS 128 2HD LYS 128 6.950 6.508 -9.271 958 HD3 LYS 128 3HD LYS 128 8.670 6.107 -9.185 959 HE2 LYS 128 2HE LYS 128 7.287 6.573 -11.863 960 HE3 LYS 128 3HE LYS 128 7.891 7.925 -10.896 961 HZ1 LYS 128 3HZ LYS 128 9.487 5.680 -11.945 962 HZ2 LYS 128 1HZ LYS 128 9.557 7.241 -12.418 963 HZ3 LYS 128 2HZ LYS 128 10.074 6.815 -10.929 964 H ARG 129 H ARG 129 8.842 1.278 -8.258 965 HA ARG 129 HA ARG 129 10.093 0.863 -10.738 966 HB2 ARG 129 2HB ARG 129 10.543 -0.317 -7.994 967 HB3 ARG 129 3HB ARG 129 11.531 -0.738 -9.399 968 HG2 ARG 129 2HG ARG 129 12.211 1.608 -9.670 969 HG3 ARG 129 3HG ARG 129 11.148 2.097 -8.343 970 HD2 ARG 129 2HD ARG 129 12.456 0.725 -6.787 971 HD3 ARG 129 3HD ARG 129 13.518 0.231 -8.113 972 HE ARG 129 HE ARG 129 13.536 3.044 -8.038 973 HH11 ARG 129 1HH1 ARG 129 14.478 0.390 -5.935 974 HH12 ARG 129 2HH1 ARG 129 15.776 1.276 -5.208 975 HH21 ARG 129 1HH2 ARG 129 15.195 4.169 -7.092 976 HH22 ARG 129 2HH2 ARG 129 16.188 3.446 -5.871 977 H HIS 130 H HIS 130 7.833 -1.164 -8.784 978 HA HIS 130 HA HIS 130 8.149 -3.525 -10.257 979 HB2 HIS 130 2HB HIS 130 6.954 -3.347 -8.087 980 HB3 HIS 130 3HB HIS 130 5.697 -2.360 -8.845 981 HD2 HIS 130 HD2 HIS 130 3.623 -3.809 -9.934 982 HE1 HIS 130 HE1 HIS 130 5.510 -7.650 -9.815 983 H VAL 131 H VAL 131 5.906 -0.677 -10.737 984 HA VAL 131 HA VAL 131 4.678 -1.700 -13.022 985 HB VAL 131 HB VAL 131 5.239 1.158 -12.089 986 HG11 VAL 131 1HG1 VAL 131 3.522 1.869 -13.727 987 HG12 VAL 131 2HG1 VAL 131 4.954 1.142 -14.532 988 HG13 VAL 131 3HG1 VAL 131 3.440 0.191 -14.361 989 HG21 VAL 131 3HG2 VAL 131 3.768 -0.162 -10.628 990 HG22 VAL 131 1HG2 VAL 131 2.841 1.119 -11.480 991 HG23 VAL 131 2HG2 VAL 131 2.733 -0.586 -12.032 992 H GLU 132 H GLU 132 7.735 0.220 -12.577 993 HA GLU 132 HA GLU 132 8.222 0.637 -15.311 994 HB2 GLU 132 2HB GLU 132 10.021 0.428 -12.856 995 HB3 GLU 132 3HB GLU 132 10.647 0.806 -14.467 996 HG2 GLU 132 2HG GLU 132 9.320 2.855 -14.574 997 HG3 GLU 132 3HG GLU 132 8.478 2.446 -13.073 998 H SER 133 H SER 133 8.706 -2.209 -13.179 999 HA SER 133 HA SER 133 10.453 -3.557 -14.999 1000 HB2 SER 133 2HB SER 133 8.700 -4.519 -12.694 1001 HB3 SER 133 3HB SER 133 9.873 -5.525 -13.553 1002 HG SER 133 HG SER 133 10.388 -3.149 -12.007 1003 H HIS 134 H HIS 134 7.032 -2.868 -15.006 1004 HA HIS 134 HA HIS 134 6.474 -5.187 -16.695 1005 HB2 HIS 134 2HB HIS 134 4.758 -2.947 -15.522 1006 HB3 HIS 134 3HB HIS 134 4.137 -4.127 -16.685 1007 HD2 HIS 134 HD2 HIS 134 4.270 -3.743 -12.961 1008 HE1 HIS 134 HE1 HIS 134 4.233 -7.971 -13.633 1009 H LEU 135 H LEU 135 8.184 -2.505 -17.298 1010 HA LEU 135 HA LEU 135 6.796 -1.778 -19.764 1011 HB2 LEU 135 2HB LEU 135 9.468 -0.856 -18.594 1012 HB3 LEU 135 3HB LEU 135 8.647 -0.159 -19.997 1013 HG LEU 135 HG LEU 135 7.572 -0.132 -17.126 1014 HD11 LEU 135 1HD1 LEU 135 8.055 2.285 -17.235 1015 HD12 LEU 135 2HD1 LEU 135 9.548 1.306 -17.432 1016 HD13 LEU 135 3HD1 LEU 135 8.779 2.070 -18.865 1017 HD21 LEU 135 3HD2 LEU 135 5.794 -0.214 -18.838 1018 HD22 LEU 135 1HD2 LEU 135 5.871 1.403 -18.060 1019 HD23 LEU 135 2HD2 LEU 135 6.556 1.163 -19.703 1020 H GLU 136 H GLU 136 9.543 -1.268 -21.044 1021 HA GLU 136 HA GLU 136 9.556 -3.712 -22.497 1022 HB2 GLU 136 2HB GLU 136 10.043 -1.367 -23.370 1023 HB3 GLU 136 3HB GLU 136 11.594 -1.438 -22.523 1024 HG2 GLU 136 2HG GLU 136 12.295 -3.372 -23.883 1025 HG3 GLU 136 3HG GLU 136 10.713 -3.426 -24.673 1026 H HIS 137 H HIS 137 9.981 -5.195 -20.573 1027 HA HIS 137 HA HIS 137 12.481 -5.094 -19.261 1028 HB2 HIS 137 2HB HIS 137 10.359 -6.287 -18.507 1029 HB3 HIS 137 3HB HIS 137 10.671 -7.508 -19.747 1030 HD2 HIS 137 HD2 HIS 137 11.750 -6.650 -16.138 1031 HE1 HIS 137 HE1 HIS 137 14.290 -9.815 -17.504 1032 H HIS 138 H HIS 138 14.480 -6.033 -19.738 1033 HA HIS 138 HA HIS 138 14.630 -7.342 -22.376 1034 HB2 HIS 138 2HB HIS 138 16.724 -5.762 -20.802 1035 HB3 HIS 138 3HB HIS 138 17.023 -6.596 -22.333 1036 HD2 HIS 138 HD2 HIS 138 15.575 -3.238 -21.037 1037 HE1 HIS 138 HE1 HIS 138 14.970 -3.357 -25.273 Start of MODEL 17 1 H1 MET 1 1H MET 1 -1.677 13.803 14.139 2 H2 MET 1 2H MET 1 -2.729 12.957 13.219 3 H3 MET 1 3H MET 1 -1.318 12.278 13.681 4 HA MET 1 HA MET 1 -1.502 14.656 12.011 5 HB2 MET 1 2HB MET 1 0.768 12.709 12.637 6 HB3 MET 1 3HB MET 1 0.859 14.012 11.444 7 HG2 MET 1 2HG MET 1 0.388 14.384 14.440 8 HG3 MET 1 3HG MET 1 1.932 14.605 13.607 9 HE1 MET 1 3HE MET 1 0.894 17.022 10.865 10 HE2 MET 1 1HE MET 1 2.169 17.561 12.009 11 HE3 MET 1 2HE MET 1 2.081 15.838 11.508 12 H ASN 2 H ASN 2 -2.251 14.366 9.950 13 HA ASN 2 HA ASN 2 -2.278 11.624 8.918 14 HB2 ASN 2 2HB ASN 2 -3.671 14.166 7.996 15 HB3 ASN 2 3HB ASN 2 -3.745 12.618 7.145 16 HD21 ASN 2 1HD2 ASN 2 -5.306 14.573 9.247 17 HD22 ASN 2 2HD2 ASN 2 -6.362 13.412 9.980 18 H ILE 3 H ILE 3 -0.889 10.977 7.297 19 HA ILE 3 HA ILE 3 0.669 13.120 6.025 20 HB ILE 3 HB ILE 3 1.361 10.182 6.548 21 HG12 ILE 3 2HG1 ILE 3 2.627 12.748 7.616 22 HG13 ILE 3 3HG1 ILE 3 1.451 11.773 8.506 23 HG21 ILE 3 1HG2 ILE 3 3.571 10.735 5.583 24 HG22 ILE 3 2HG2 ILE 3 2.251 10.926 4.381 25 HG23 ILE 3 3HG2 ILE 3 2.972 12.375 5.160 26 HD11 ILE 3 3HD1 ILE 3 4.185 10.824 7.540 27 HD12 ILE 3 1HD1 ILE 3 3.741 11.267 9.223 28 HD13 ILE 3 2HD1 ILE 3 2.990 9.834 8.444 29 H THR 4 H THR 4 0.621 13.304 3.778 30 HA THR 4 HA THR 4 -0.864 11.183 2.385 31 HB THR 4 HB THR 4 -0.819 14.197 1.831 32 HG1 THR 4 HG1 THR 4 -3.108 12.554 2.478 33 HG21 THR 4 3HG2 THR 4 -2.305 11.922 0.427 34 HG22 THR 4 1HG2 THR 4 -2.505 13.675 0.091 35 HG23 THR 4 2HG2 THR 4 -0.936 12.868 -0.247 36 H VAL 5 H VAL 5 0.094 10.318 0.523 37 HA VAL 5 HA VAL 5 2.373 11.819 -0.556 38 HB VAL 5 HB VAL 5 3.472 9.642 -1.062 39 HG11 VAL 5 1HG1 VAL 5 4.181 9.110 1.251 40 HG12 VAL 5 2HG1 VAL 5 4.095 10.882 0.967 41 HG13 VAL 5 3HG1 VAL 5 2.793 10.055 1.887 42 HG21 VAL 5 3HG2 VAL 5 1.468 8.217 -1.120 43 HG22 VAL 5 1HG2 VAL 5 2.671 7.578 0.051 44 HG23 VAL 5 2HG2 VAL 5 1.225 8.465 0.642 45 H GLU 6 H GLU 6 2.811 11.331 -2.905 46 HA GLU 6 HA GLU 6 0.517 10.129 -4.283 47 HB2 GLU 6 2HB GLU 6 1.690 12.901 -4.814 48 HB3 GLU 6 3HB GLU 6 0.583 12.057 -5.905 49 HG2 GLU 6 2HG GLU 6 -1.161 12.038 -4.113 50 HG3 GLU 6 3HG GLU 6 -0.054 12.894 -3.031 51 H THR 7 H THR 7 1.072 9.060 -6.222 52 HA THR 7 HA THR 7 3.651 9.720 -7.385 53 HB THR 7 HB THR 7 4.054 7.761 -5.860 54 HG1 THR 7 HG1 THR 7 5.027 6.445 -7.563 55 HG21 THR 7 3HG2 THR 7 2.079 6.364 -7.731 56 HG22 THR 7 1HG2 THR 7 3.083 5.565 -6.474 57 HG23 THR 7 2HG2 THR 7 1.812 6.739 -5.995 58 H THR 8 H THR 8 3.607 9.619 -9.661 59 HA THR 8 HA THR 8 1.110 8.567 -10.795 60 HB THR 8 HB THR 8 3.060 10.675 -11.859 61 HG1 THR 8 HG1 THR 8 1.162 12.053 -11.563 62 HG21 THR 8 3HG2 THR 8 0.453 9.597 -13.043 63 HG22 THR 8 1HG2 THR 8 1.412 10.971 -13.688 64 HG23 THR 8 2HG2 THR 8 2.106 9.315 -13.686 65 H VAL 9 H VAL 9 1.242 6.793 -12.160 66 HA VAL 9 HA VAL 9 3.904 6.140 -13.198 67 HB VAL 9 HB VAL 9 3.495 3.748 -12.631 68 HG11 VAL 9 1HG1 VAL 9 3.911 3.934 -10.197 69 HG12 VAL 9 2HG1 VAL 9 4.854 5.145 -11.132 70 HG13 VAL 9 3HG1 VAL 9 3.377 5.648 -10.242 71 HG21 VAL 9 3HG2 VAL 9 1.040 3.801 -12.547 72 HG22 VAL 9 1HG2 VAL 9 1.717 3.161 -11.012 73 HG23 VAL 9 2HG2 VAL 9 1.099 4.846 -11.088 74 H ALA 10 H ALA 10 3.841 4.650 -15.097 75 HA ALA 10 HA ALA 10 1.485 5.217 -16.696 76 HB1 ALA 10 3HB ALA 10 4.149 3.854 -17.328 77 HB2 ALA 10 1HB ALA 10 2.876 4.273 -18.524 78 HB3 ALA 10 2HB ALA 10 3.735 5.575 -17.632 79 H ALA 11 H ALA 11 -0.006 3.797 -15.400 80 HA ALA 11 HA ALA 11 -0.031 1.161 -16.598 81 HB1 ALA 11 3HB ALA 11 0.089 1.564 -13.568 82 HB2 ALA 11 1HB ALA 11 -0.279 0.019 -14.406 83 HB3 ALA 11 2HB ALA 11 1.340 0.775 -14.587 84 HA PRO 12 HA PRO 12 -4.376 1.960 -16.390 85 HB2 PRO 12 2HB PRO 12 -5.337 -0.647 -16.429 86 HB3 PRO 12 3HB PRO 12 -4.620 0.083 -17.871 87 HG2 PRO 12 2HG PRO 12 -3.341 -1.771 -15.833 88 HG3 PRO 12 3HG PRO 12 -3.247 -1.828 -17.598 89 HD2 PRO 12 2HD PRO 12 -1.227 -0.751 -16.125 90 HD3 PRO 12 3HD PRO 12 -1.648 -0.086 -17.709 91 H VAL 13 H VAL 13 -6.186 2.054 -15.033 92 HA VAL 13 HA VAL 13 -5.307 2.372 -12.420 93 HB VAL 13 HB VAL 13 -8.117 2.249 -13.621 94 HG11 VAL 13 1HG1 VAL 13 -8.880 3.367 -11.547 95 HG12 VAL 13 2HG1 VAL 13 -8.224 1.727 -11.220 96 HG13 VAL 13 3HG1 VAL 13 -7.237 3.181 -10.847 97 HG21 VAL 13 3HG2 VAL 13 -6.694 4.068 -14.466 98 HG22 VAL 13 1HG2 VAL 13 -7.999 4.714 -13.415 99 HG23 VAL 13 2HG2 VAL 13 -6.323 4.577 -12.783 100 H GLY 14 H GLY 14 -7.249 -0.295 -13.972 101 HA2 GLY 14 2HA GLY 14 -8.040 -1.520 -11.571 102 HA3 GLY 14 3HA GLY 14 -7.956 -2.264 -13.173 103 H LYS 15 H LYS 15 -5.154 -2.105 -13.739 104 HA LYS 15 HA LYS 15 -4.169 -4.264 -12.221 105 HB2 LYS 15 2HB LYS 15 -3.535 -3.688 -14.576 106 HB3 LYS 15 3HB LYS 15 -2.696 -2.248 -13.983 107 HG2 LYS 15 2HG LYS 15 -1.083 -3.616 -12.751 108 HG3 LYS 15 3HG LYS 15 -1.983 -5.094 -13.119 109 HD2 LYS 15 2HD LYS 15 -1.569 -4.740 -15.562 110 HD3 LYS 15 3HD LYS 15 -0.673 -3.259 -15.198 111 HE2 LYS 15 2HE LYS 15 0.972 -4.568 -13.858 112 HE3 LYS 15 3HE LYS 15 0.066 -6.053 -14.179 113 HZ1 LYS 15 3HZ LYS 15 1.350 -4.366 -16.233 114 HZ2 LYS 15 1HZ LYS 15 1.910 -5.798 -15.685 115 HZ3 LYS 15 2HZ LYS 15 0.514 -5.737 -16.529 116 H VAL 16 H VAL 16 -3.665 -0.674 -12.011 117 HA VAL 16 HA VAL 16 -1.588 -0.806 -10.143 118 HB VAL 16 HB VAL 16 -3.696 1.317 -10.764 119 HG11 VAL 16 1HG1 VAL 16 -2.295 2.892 -9.466 120 HG12 VAL 16 2HG1 VAL 16 -2.967 1.586 -8.432 121 HG13 VAL 16 3HG1 VAL 16 -1.248 1.527 -8.949 122 HG21 VAL 16 3HG2 VAL 16 -2.082 0.846 -12.557 123 HG22 VAL 16 1HG2 VAL 16 -1.786 2.466 -11.841 124 HG23 VAL 16 2HG2 VAL 16 -0.720 1.086 -11.412 125 H TRP 17 H TRP 17 -5.209 -0.604 -9.751 126 HA TRP 17 HA TRP 17 -5.216 -0.384 -6.965 127 HB2 TRP 17 2HB TRP 17 -7.186 -0.006 -8.414 128 HB3 TRP 17 3HB TRP 17 -7.184 -1.706 -8.902 129 HD1 TRP 17 HD1 TRP 17 -8.093 0.582 -5.926 130 HE1 TRP 17 HE1 TRP 17 -9.534 -0.769 -4.255 131 HE3 TRP 17 HE3 TRP 17 -7.632 -4.078 -8.041 132 HZ2 TRP 17 HZ2 TRP 17 -10.368 -3.427 -3.874 133 HZ3 TRP 17 HZ3 TRP 17 -8.784 -5.992 -6.959 134 HH2 TRP 17 HH2 TRP 17 -10.140 -5.669 -4.906 135 H ARG 18 H ARG 18 -5.149 -3.318 -9.129 136 HA ARG 18 HA ARG 18 -5.443 -5.142 -7.001 137 HB2 ARG 18 2HB ARG 18 -4.417 -5.409 -9.829 138 HB3 ARG 18 3HB ARG 18 -4.457 -6.768 -8.698 139 HG2 ARG 18 2HG ARG 18 -6.912 -6.456 -8.422 140 HG3 ARG 18 3HG ARG 18 -6.865 -5.110 -9.568 141 HD2 ARG 18 2HD ARG 18 -6.073 -6.618 -11.323 142 HD3 ARG 18 3HD ARG 18 -6.084 -7.967 -10.180 143 HE ARG 18 HE ARG 18 -8.673 -6.839 -10.218 144 HH11 ARG 18 1HH1 ARG 18 -6.522 -8.550 -12.406 145 HH12 ARG 18 2HH1 ARG 18 -7.818 -9.301 -13.276 146 HH21 ARG 18 1HH2 ARG 18 -10.322 -7.795 -11.349 147 HH22 ARG 18 2HH2 ARG 18 -10.000 -8.868 -12.671 148 H ALA 19 H ALA 19 -2.540 -3.653 -8.591 149 HA ALA 19 HA ALA 19 -0.715 -5.478 -7.419 150 HB1 ALA 19 3HB ALA 19 -0.339 -2.666 -8.564 151 HB2 ALA 19 1HB ALA 19 0.976 -3.834 -8.200 152 HB3 ALA 19 2HB ALA 19 -0.232 -4.210 -9.475 153 H TYR 20 H TYR 20 -2.213 -2.421 -6.300 154 HA TYR 20 HA TYR 20 -0.257 -1.647 -4.481 155 HB2 TYR 20 2HB TYR 20 -2.191 -0.268 -5.221 156 HB3 TYR 20 3HB TYR 20 -3.297 -1.341 -4.353 157 HD1 TYR 20 HD1 TYR 20 -0.286 0.844 -3.767 158 HD2 TYR 20 HD2 TYR 20 -3.881 -0.845 -2.140 159 HE1 TYR 20 HE1 TYR 20 0.008 2.202 -1.718 160 HE2 TYR 20 HE2 TYR 20 -3.593 0.510 -0.089 161 HH TYR 20 HH TYR 20 -2.024 1.709 1.128 162 H THR 21 H THR 21 -2.796 -4.183 -4.254 163 HA THR 21 HA THR 21 -1.550 -4.951 -1.720 164 HB THR 21 HB THR 21 -3.824 -5.634 -0.879 165 HG1 THR 21 HG1 THR 21 -5.665 -4.623 -1.977 166 HG21 THR 21 3HG2 THR 21 -3.506 -2.668 -1.557 167 HG22 THR 21 1HG2 THR 21 -4.571 -3.347 -0.280 168 HG23 THR 21 2HG2 THR 21 -2.788 -3.516 -0.147 169 H THR 22 H THR 22 -0.849 -6.076 -4.259 170 HA THR 22 HA THR 22 -2.000 -8.738 -3.872 171 HB THR 22 HB THR 22 -0.072 -7.623 -5.975 172 HG1 THR 22 HG1 THR 22 -2.475 -7.143 -6.027 173 HG21 THR 22 3HG2 THR 22 -1.263 -10.424 -5.678 174 HG22 THR 22 1HG2 THR 22 -0.295 -9.833 -7.071 175 HG23 THR 22 2HG2 THR 22 0.461 -9.974 -5.448 176 HA PRO 23 HA PRO 23 1.334 -9.566 -1.085 177 HB2 PRO 23 2HB PRO 23 1.062 -12.391 -1.201 178 HB3 PRO 23 3HB PRO 23 0.032 -11.367 -0.192 179 HG2 PRO 23 2HG PRO 23 -0.506 -12.486 -2.955 180 HG3 PRO 23 3HG PRO 23 -1.594 -12.378 -1.565 181 HD2 PRO 23 2HD PRO 23 -1.814 -10.588 -3.574 182 HD3 PRO 23 3HD PRO 23 -2.007 -10.044 -1.902 183 H GLU 24 H GLU 24 1.171 -11.382 -4.214 184 HA GLU 24 HA GLU 24 3.874 -12.169 -4.153 185 HB2 GLU 24 2HB GLU 24 1.893 -11.636 -6.413 186 HB3 GLU 24 3HB GLU 24 3.525 -12.260 -6.689 187 HG2 GLU 24 2HG GLU 24 3.023 -14.262 -5.327 188 HG3 GLU 24 3HG GLU 24 1.417 -13.628 -4.944 189 H ASP 25 H ASP 25 2.243 -9.098 -5.111 190 HA ASP 25 HA ASP 25 4.655 -7.983 -6.196 191 HB2 ASP 25 2HB ASP 25 1.960 -6.830 -5.344 192 HB3 ASP 25 3HB ASP 25 3.273 -5.835 -5.987 193 H ILE 26 H ILE 26 2.958 -7.969 -2.995 194 HA ILE 26 HA ILE 26 4.337 -5.769 -1.969 195 HB ILE 26 HB ILE 26 2.946 -8.154 -0.668 196 HG12 ILE 26 2HG1 ILE 26 2.167 -5.206 -0.783 197 HG13 ILE 26 3HG1 ILE 26 1.652 -6.392 -1.990 198 HG21 ILE 26 1HG2 ILE 26 3.064 -6.905 1.464 199 HG22 ILE 26 2HG2 ILE 26 4.695 -7.358 0.864 200 HG23 ILE 26 3HG2 ILE 26 4.107 -5.671 0.680 201 HD11 ILE 26 3HD1 ILE 26 1.050 -6.514 1.000 202 HD12 ILE 26 1HD1 ILE 26 -0.092 -6.034 -0.301 203 HD13 ILE 26 2HD1 ILE 26 0.527 -7.718 -0.226 204 H LYS 27 H LYS 27 5.106 -9.312 -1.997 205 HA LYS 27 HA LYS 27 7.073 -9.200 0.005 206 HB2 LYS 27 2HB LYS 27 7.685 -11.406 -0.771 207 HB3 LYS 27 3HB LYS 27 5.923 -11.260 -0.804 208 HG2 LYS 27 2HG LYS 27 6.030 -10.819 -3.277 209 HG3 LYS 27 3HG LYS 27 7.783 -11.041 -3.223 210 HD2 LYS 27 2HD LYS 27 7.439 -13.364 -2.307 211 HD3 LYS 27 3HD LYS 27 5.690 -13.137 -2.432 212 HE2 LYS 27 2HE LYS 27 5.916 -12.758 -4.898 213 HE3 LYS 27 3HE LYS 27 7.665 -12.991 -4.772 214 HZ1 LYS 27 3HZ LYS 27 5.627 -15.016 -4.099 215 HZ2 LYS 27 1HZ LYS 27 6.552 -15.001 -5.444 216 HZ3 LYS 27 2HZ LYS 27 7.241 -15.231 -3.982 217 H GLN 28 H GLN 28 7.098 -8.074 -3.329 218 HA GLN 28 HA GLN 28 9.955 -8.369 -3.625 219 HB2 GLN 28 2HB GLN 28 7.825 -6.887 -5.249 220 HB3 GLN 28 3HB GLN 28 9.523 -7.035 -5.721 221 HG2 GLN 28 2HG GLN 28 7.574 -9.357 -5.342 222 HG3 GLN 28 3HG GLN 28 8.064 -8.663 -6.893 223 HE21 GLN 28 1HE2 GLN 28 8.472 -11.337 -5.267 224 HE22 GLN 28 2HE2 GLN 28 10.141 -11.702 -5.547 225 H TRP 29 H TRP 29 7.762 -6.062 -2.135 226 HA TRP 29 HA TRP 29 9.408 -3.767 -2.742 227 HB2 TRP 29 2HB TRP 29 7.060 -4.071 -0.807 228 HB3 TRP 29 3HB TRP 29 7.741 -2.556 -1.414 229 HD1 TRP 29 HD1 TRP 29 7.918 -4.130 -4.511 230 HE1 TRP 29 HE1 TRP 29 5.745 -4.009 -5.907 231 HE3 TRP 29 HE3 TRP 29 4.611 -2.991 -0.748 232 HZ2 TRP 29 HZ2 TRP 29 3.008 -3.510 -5.482 233 HZ3 TRP 29 HZ3 TRP 29 2.206 -2.707 -1.322 234 HH2 TRP 29 HH2 TRP 29 1.419 -2.964 -3.626 235 H ASN 30 H ASN 30 9.586 -6.351 -0.476 236 HA ASN 30 HA ASN 30 10.317 -4.946 1.841 237 HB2 ASN 30 2HB ASN 30 10.952 -7.737 0.830 238 HB3 ASN 30 3HB ASN 30 11.479 -7.140 2.409 239 HD21 ASN 30 1HD2 ASN 30 9.278 -8.994 0.999 240 HD22 ASN 30 2HD2 ASN 30 7.979 -8.848 2.136 241 H ALA 31 H ALA 31 12.300 -4.153 2.607 242 HA ALA 31 HA ALA 31 14.212 -3.580 0.531 243 HB1 ALA 31 3HB ALA 31 14.126 -2.915 3.515 244 HB2 ALA 31 1HB ALA 31 15.288 -2.239 2.324 245 HB3 ALA 31 2HB ALA 31 13.536 -1.875 2.175 246 H ALA 32 H ALA 32 14.073 -5.646 3.508 247 HA ALA 32 HA ALA 32 16.797 -6.313 3.536 248 HB1 ALA 32 3HB ALA 32 14.331 -7.887 4.431 249 HB2 ALA 32 1HB ALA 32 16.029 -8.246 4.896 250 HB3 ALA 32 2HB ALA 32 15.260 -6.709 5.420 251 H SER 33 H SER 33 17.125 -9.054 3.395 252 HA SER 33 HA SER 33 17.450 -9.052 0.510 253 HB2 SER 33 2HB SER 33 19.401 -9.422 1.903 254 HB3 SER 33 3HB SER 33 18.590 -10.714 2.796 255 HG SER 33 HG SER 33 20.088 -11.405 1.081 256 H ASP 34 H ASP 34 16.922 -10.859 -0.879 257 HA ASP 34 HA ASP 34 14.586 -12.323 -0.083 258 HB2 ASP 34 2HB ASP 34 16.401 -12.335 -2.535 259 HB3 ASP 34 3HB ASP 34 15.037 -13.447 -2.356 260 H ASP 35 H ASP 35 17.730 -12.696 0.926 261 HA ASP 35 HA ASP 35 17.731 -15.617 0.510 262 HB2 ASP 35 2HB ASP 35 20.045 -13.674 0.969 263 HB3 ASP 35 3HB ASP 35 20.197 -15.429 0.812 264 H TRP 36 H TRP 36 18.119 -12.917 2.881 265 HA TRP 36 HA TRP 36 18.491 -14.960 4.978 266 HB2 TRP 36 2HB TRP 36 19.379 -12.040 4.797 267 HB3 TRP 36 3HB TRP 36 19.485 -13.012 6.271 268 HD1 TRP 36 HD1 TRP 36 21.188 -12.474 2.885 269 HE1 TRP 36 HE1 TRP 36 23.381 -13.840 2.809 270 HE3 TRP 36 HE3 TRP 36 20.563 -15.231 7.176 271 HZ2 TRP 36 HZ2 TRP 36 24.675 -15.812 4.346 272 HZ3 TRP 36 HZ3 TRP 36 22.339 -16.854 7.817 273 HH2 TRP 36 HH2 TRP 36 24.346 -17.135 6.446 274 H HIS 37 H HIS 37 16.122 -13.017 3.581 275 HA HIS 37 HA HIS 37 14.773 -12.754 6.191 276 HB2 HIS 37 2HB HIS 37 15.486 -10.543 5.204 277 HB3 HIS 37 3HB HIS 37 14.514 -10.902 3.771 278 HD2 HIS 37 HD2 HIS 37 11.895 -10.093 3.970 279 HE1 HIS 37 HE1 HIS 37 11.807 -9.505 8.210 280 H THR 38 H THR 38 12.798 -13.786 6.326 281 HA THR 38 HA THR 38 11.769 -14.894 3.823 282 HB THR 38 HB THR 38 11.201 -15.596 6.752 283 HG1 THR 38 HG1 THR 38 12.323 -17.576 6.115 284 HG21 THR 38 3HG2 THR 38 10.212 -16.894 4.165 285 HG22 THR 38 1HG2 THR 38 9.942 -17.520 5.827 286 HG23 THR 38 2HG2 THR 38 9.216 -15.954 5.328 287 H THR 39 H THR 39 9.949 -13.998 2.902 288 HA THR 39 HA THR 39 8.194 -12.479 4.706 289 HB THR 39 HB THR 39 9.426 -10.907 3.290 290 HG1 THR 39 HG1 THR 39 7.150 -10.734 1.764 291 HG21 THR 39 3HG2 THR 39 8.364 -12.554 0.943 292 HG22 THR 39 1HG2 THR 39 9.267 -11.006 0.820 293 HG23 THR 39 2HG2 THR 39 10.073 -12.465 1.490 294 H ALA 40 H ALA 40 5.954 -12.863 4.488 295 HA ALA 40 HA ALA 40 4.991 -14.024 2.013 296 HB1 ALA 40 3HB ALA 40 4.650 -15.428 4.710 297 HB2 ALA 40 1HB ALA 40 3.808 -15.867 3.185 298 HB3 ALA 40 2HB ALA 40 5.593 -16.034 3.306 299 H ALA 41 H ALA 41 2.861 -13.405 1.568 300 HA ALA 41 HA ALA 41 1.417 -12.058 3.738 301 HB1 ALA 41 3HB ALA 41 2.029 -10.881 0.982 302 HB2 ALA 41 1HB ALA 41 0.920 -10.169 2.203 303 HB3 ALA 41 2HB ALA 41 2.676 -10.303 2.555 304 H THR 42 H THR 42 -0.881 -12.098 3.514 305 HA THR 42 HA THR 42 -1.851 -13.293 1.019 306 HB THR 42 HB THR 42 -2.812 -13.949 3.854 307 HG1 THR 42 HG1 THR 42 -2.080 -16.107 3.221 308 HG21 THR 42 3HG2 THR 42 -3.796 -14.926 1.128 309 HG22 THR 42 1HG2 THR 42 -4.353 -15.528 2.725 310 HG23 THR 42 2HG2 THR 42 -4.678 -13.828 2.243 311 H VAL 43 H VAL 43 -3.615 -12.206 0.114 312 HA VAL 43 HA VAL 43 -4.879 -10.185 1.829 313 HB VAL 43 HB VAL 43 -3.986 -9.849 -1.080 314 HG11 VAL 43 1HG1 VAL 43 -4.803 -7.525 -0.828 315 HG12 VAL 43 2HG1 VAL 43 -6.126 -8.724 -0.633 316 HG13 VAL 43 3HG1 VAL 43 -5.418 -7.924 0.811 317 HG21 VAL 43 3HG2 VAL 43 -2.117 -9.711 0.509 318 HG22 VAL 43 1HG2 VAL 43 -2.496 -8.093 -0.172 319 HG23 VAL 43 2HG2 VAL 43 -3.024 -8.513 1.493 320 H ASP 44 H ASP 44 -7.102 -10.459 1.882 321 HA ASP 44 HA ASP 44 -8.375 -11.744 -0.426 322 HB2 ASP 44 2HB ASP 44 -8.936 -12.516 1.876 323 HB3 ASP 44 3HB ASP 44 -9.465 -10.882 2.297 324 H LEU 45 H LEU 45 -8.957 -10.396 -2.092 325 HA LEU 45 HA LEU 45 -9.065 -7.550 -1.558 326 HB2 LEU 45 2HB LEU 45 -9.273 -9.249 -4.088 327 HB3 LEU 45 3HB LEU 45 -9.364 -7.483 -4.079 328 HG LEU 45 HG LEU 45 -6.961 -9.130 -3.129 329 HD11 LEU 45 1HD1 LEU 45 -5.875 -8.263 -5.168 330 HD12 LEU 45 2HD1 LEU 45 -7.314 -9.262 -5.562 331 HD13 LEU 45 3HD1 LEU 45 -7.413 -7.471 -5.653 332 HD21 LEU 45 3HD2 LEU 45 -7.219 -6.988 -1.930 333 HD22 LEU 45 1HD2 LEU 45 -5.823 -6.934 -3.058 334 HD23 LEU 45 2HD2 LEU 45 -7.363 -6.121 -3.496 335 H ARG 46 H ARG 46 -11.020 -7.275 -0.310 336 HA ARG 46 HA ARG 46 -13.262 -6.845 -1.992 337 HB2 ARG 46 2HB ARG 46 -14.871 -8.285 -0.950 338 HB3 ARG 46 3HB ARG 46 -13.585 -9.236 -1.704 339 HG2 ARG 46 2HG ARG 46 -12.526 -9.549 0.533 340 HG3 ARG 46 3HG ARG 46 -13.844 -8.631 1.274 341 HD2 ARG 46 2HD ARG 46 -15.454 -10.285 0.628 342 HD3 ARG 46 3HD ARG 46 -14.256 -11.150 -0.343 343 HE ARG 46 HE ARG 46 -13.370 -12.092 1.591 344 HH11 ARG 46 1HH1 ARG 46 -15.710 -9.624 2.478 345 HH12 ARG 46 2HH1 ARG 46 -15.813 -10.151 4.124 346 HH21 ARG 46 1HH2 ARG 46 -13.506 -12.749 3.706 347 HH22 ARG 46 2HH2 ARG 46 -14.549 -11.944 4.830 348 H GLU 47 H GLU 47 -15.022 -5.672 -0.825 349 HA GLU 47 HA GLU 47 -14.143 -4.022 1.265 350 HB2 GLU 47 2HB GLU 47 -16.038 -3.584 -0.338 351 HB3 GLU 47 3HB GLU 47 -16.989 -4.823 0.491 352 HG2 GLU 47 2HG GLU 47 -16.916 -3.509 2.592 353 HG3 GLU 47 3HG GLU 47 -15.898 -2.289 1.815 354 H GLY 48 H GLY 48 -13.861 -4.415 3.432 355 HA2 GLY 48 2HA GLY 48 -14.373 -5.301 5.483 356 HA3 GLY 48 3HA GLY 48 -15.543 -6.398 4.737 357 H GLY 49 H GLY 49 -12.811 -6.693 2.782 358 HA2 GLY 49 2HA GLY 49 -12.364 -9.320 3.812 359 HA3 GLY 49 3HA GLY 49 -11.557 -8.536 2.447 360 H ALA 50 H ALA 50 -10.286 -10.223 4.520 361 HA ALA 50 HA ALA 50 -8.798 -8.233 6.087 362 HB1 ALA 50 3HB ALA 50 -9.007 -11.277 6.296 363 HB2 ALA 50 1HB ALA 50 -8.056 -10.215 7.388 364 HB3 ALA 50 2HB ALA 50 -9.846 -10.079 7.338 365 H PHE 51 H PHE 51 -6.469 -8.194 6.082 366 HA PHE 51 HA PHE 51 -5.157 -10.054 4.247 367 HB2 PHE 51 2HB PHE 51 -3.821 -8.211 3.271 368 HB3 PHE 51 3HB PHE 51 -5.538 -8.077 2.870 369 HD1 PHE 51 HD1 PHE 51 -2.748 -6.613 4.785 370 HD2 PHE 51 HD2 PHE 51 -6.917 -6.284 3.803 371 HE1 PHE 51 HE1 PHE 51 -2.777 -4.304 5.673 372 HE2 PHE 51 HE2 PHE 51 -6.945 -3.975 4.691 373 HZ PHE 51 HZ PHE 51 -4.872 -2.980 5.629 374 H SER 52 H SER 52 -2.787 -10.209 4.666 375 HA SER 52 HA SER 52 -1.830 -8.975 7.110 376 HB2 SER 52 2HB SER 52 -3.089 -10.890 7.983 377 HB3 SER 52 3HB SER 52 -2.287 -11.980 6.844 378 HG SER 52 HG SER 52 -0.719 -10.375 8.614 379 H SER 53 H SER 53 0.435 -8.852 7.153 380 HA SER 53 HA SER 53 1.858 -10.473 5.142 381 HB2 SER 53 2HB SER 53 1.599 -8.207 4.241 382 HB3 SER 53 3HB SER 53 2.196 -7.502 5.749 383 HG SER 53 HG SER 53 3.837 -7.635 4.122 384 H ARG 54 H ARG 54 3.446 -11.689 6.084 385 HA ARG 54 HA ARG 54 4.241 -10.855 8.796 386 HB2 ARG 54 2HB ARG 54 2.831 -12.850 8.774 387 HB3 ARG 54 3HB ARG 54 3.954 -13.651 7.668 388 HG2 ARG 54 2HG ARG 54 5.748 -13.494 9.389 389 HG3 ARG 54 3HG ARG 54 4.608 -12.717 10.496 390 HD2 ARG 54 2HD ARG 54 3.214 -14.699 10.518 391 HD3 ARG 54 3HD ARG 54 4.251 -15.478 9.316 392 HE ARG 54 HE ARG 54 5.823 -15.935 10.969 393 HH11 ARG 54 1HH1 ARG 54 3.369 -13.788 12.281 394 HH12 ARG 54 2HH1 ARG 54 3.853 -14.053 13.923 395 HH21 ARG 54 1HH2 ARG 54 6.439 -16.253 13.075 396 HH22 ARG 54 2HH2 ARG 54 5.616 -15.467 14.380 397 H MET 55 H MET 55 6.413 -10.601 9.238 398 HA MET 55 HA MET 55 8.275 -11.549 7.147 399 HB2 MET 55 2HB MET 55 8.365 -9.068 8.925 400 HB3 MET 55 3HB MET 55 9.722 -9.632 7.942 401 HG2 MET 55 2HG MET 55 8.261 -9.405 5.891 402 HG3 MET 55 3HG MET 55 6.996 -8.714 6.915 403 HE1 MET 55 3HE MET 55 8.672 -6.742 8.989 404 HE2 MET 55 1HE MET 55 8.338 -5.285 7.994 405 HE3 MET 55 2HE MET 55 7.091 -6.567 8.154 406 H GLU 56 H GLU 56 9.975 -12.851 7.810 407 HA GLU 56 HA GLU 56 10.609 -12.830 10.682 408 HB2 GLU 56 2HB GLU 56 10.161 -15.268 8.896 409 HB3 GLU 56 3HB GLU 56 10.975 -15.335 10.465 410 HG2 GLU 56 2HG GLU 56 8.887 -14.419 11.544 411 HG3 GLU 56 3HG GLU 56 8.083 -14.471 9.969 412 H ALA 57 H ALA 57 12.843 -13.364 11.171 413 HA ALA 57 HA ALA 57 14.604 -12.856 8.896 414 HB1 ALA 57 3HB ALA 57 15.097 -12.993 11.910 415 HB2 ALA 57 1HB ALA 57 16.315 -12.549 10.668 416 HB3 ALA 57 2HB ALA 57 14.880 -11.502 10.933 417 H LYS 58 H LYS 58 16.087 -14.338 8.074 418 HA LYS 58 HA LYS 58 15.849 -17.068 8.659 419 HB2 LYS 58 2HB LYS 58 16.770 -16.115 6.557 420 HB3 LYS 58 3HB LYS 58 18.160 -15.478 7.446 421 HG2 LYS 58 2HG LYS 58 18.969 -17.715 7.945 422 HG3 LYS 58 3HG LYS 58 17.482 -18.455 7.337 423 HD2 LYS 58 2HD LYS 58 17.974 -17.806 5.056 424 HD3 LYS 58 3HD LYS 58 19.273 -16.721 5.567 425 HE2 LYS 58 2HE LYS 58 20.272 -18.763 4.698 426 HE3 LYS 58 3HE LYS 58 20.557 -18.697 6.442 427 HZ1 LYS 58 3HZ LYS 58 18.355 -20.215 5.200 428 HZ2 LYS 58 1HZ LYS 58 19.787 -20.865 5.638 429 HZ3 LYS 58 2HZ LYS 58 18.792 -20.243 6.773 430 H ASP 59 H ASP 59 17.686 -14.454 10.245 431 HA ASP 59 HA ASP 59 19.426 -16.336 11.596 432 HB2 ASP 59 2HB ASP 59 19.006 -13.318 11.726 433 HB3 ASP 59 3HB ASP 59 20.100 -14.177 12.818 434 H GLY 60 H GLY 60 16.174 -15.177 12.009 435 HA2 GLY 60 2HA GLY 60 14.695 -15.810 13.575 436 HA3 GLY 60 3HA GLY 60 15.945 -16.831 14.298 437 H SER 61 H SER 61 16.561 -13.332 13.872 438 HA SER 61 HA SER 61 16.929 -13.174 16.748 439 HB2 SER 61 2HB SER 61 17.455 -11.230 14.453 440 HB3 SER 61 3HB SER 61 17.864 -10.925 16.147 441 HG SER 61 HG SER 61 19.655 -11.759 14.940 442 H MET 62 H MET 62 14.839 -11.677 14.171 443 HA MET 62 HA MET 62 12.879 -10.941 16.116 444 HB2 MET 62 2HB MET 62 13.058 -8.523 15.843 445 HB3 MET 62 3HB MET 62 14.547 -9.170 16.545 446 HG2 MET 62 2HG MET 62 15.648 -9.061 14.313 447 HG3 MET 62 3HG MET 62 14.158 -8.419 13.608 448 HE1 MET 62 3HE MET 62 13.096 -6.194 15.810 449 HE2 MET 62 1HE MET 62 13.867 -4.842 14.913 450 HE3 MET 62 2HE MET 62 13.146 -6.220 14.015 451 H GLY 63 H GLY 63 11.001 -9.749 15.025 452 HA2 GLY 63 2HA GLY 63 11.042 -9.267 12.251 453 HA3 GLY 63 3HA GLY 63 10.366 -10.875 12.541 454 H PHE 64 H PHE 64 8.670 -9.041 11.377 455 HA PHE 64 HA PHE 64 6.924 -8.250 13.615 456 HB2 PHE 64 2HB PHE 64 7.585 -6.643 11.098 457 HB3 PHE 64 3HB PHE 64 6.326 -6.225 12.268 458 HD1 PHE 64 HD1 PHE 64 6.947 -5.536 14.583 459 HD2 PHE 64 HD2 PHE 64 9.908 -6.219 11.549 460 HE1 PHE 64 HE1 PHE 64 8.612 -4.293 15.929 461 HE2 PHE 64 HE2 PHE 64 11.574 -4.977 12.895 462 HZ PHE 64 HZ PHE 64 10.928 -4.010 15.087 463 H ASP 65 H ASP 65 4.645 -8.383 13.181 464 HA ASP 65 HA ASP 65 3.971 -9.610 10.588 465 HB2 ASP 65 2HB ASP 65 4.068 -11.307 12.438 466 HB3 ASP 65 3HB ASP 65 2.866 -10.369 13.334 467 H PHE 66 H PHE 66 2.461 -8.414 9.498 468 HA PHE 66 HA PHE 66 0.980 -6.436 11.109 469 HB2 PHE 66 2HB PHE 66 1.903 -6.406 8.193 470 HB3 PHE 66 3HB PHE 66 0.866 -5.175 8.926 471 HD1 PHE 66 HD1 PHE 66 4.252 -6.737 9.094 472 HD2 PHE 66 HD2 PHE 66 1.782 -3.412 10.233 473 HE1 PHE 66 HE1 PHE 66 6.258 -5.513 9.873 474 HE2 PHE 66 HE2 PHE 66 3.788 -2.186 11.003 475 HZ PHE 66 HZ PHE 66 6.031 -3.237 10.828 476 H ALA 67 H ALA 67 -1.264 -6.314 10.946 477 HA ALA 67 HA ALA 67 -2.535 -7.883 8.822 478 HB1 ALA 67 3HB ALA 67 -3.182 -8.073 11.805 479 HB2 ALA 67 1HB ALA 67 -4.137 -8.811 10.476 480 HB3 ALA 67 2HB ALA 67 -2.457 -9.364 10.787 481 H GLY 68 H GLY 68 -4.574 -7.050 8.132 482 HA2 GLY 68 2HA GLY 68 -5.712 -4.822 9.607 483 HA3 GLY 68 3HA GLY 68 -4.961 -4.400 8.063 484 H THR 69 H THR 69 -7.644 -3.869 8.249 485 HA THR 69 HA THR 69 -8.779 -6.002 6.589 486 HB THR 69 HB THR 69 -10.987 -5.631 7.676 487 HG1 THR 69 HG1 THR 69 -10.994 -4.419 9.703 488 HG21 THR 69 3HG2 THR 69 -8.750 -6.340 9.637 489 HG22 THR 69 1HG2 THR 69 -10.487 -6.759 9.824 490 HG23 THR 69 2HG2 THR 69 -9.534 -7.460 8.473 491 H TYR 70 H TYR 70 -10.312 -5.249 4.962 492 HA TYR 70 HA TYR 70 -9.972 -2.462 4.260 493 HB2 TYR 70 2HB TYR 70 -11.498 -4.800 3.006 494 HB3 TYR 70 3HB TYR 70 -11.441 -3.175 2.310 495 HD1 TYR 70 HD1 TYR 70 -8.931 -2.193 2.058 496 HD2 TYR 70 HD2 TYR 70 -9.951 -6.361 2.234 497 HE1 TYR 70 HE1 TYR 70 -6.815 -2.757 0.905 498 HE2 TYR 70 HE2 TYR 70 -7.834 -6.931 1.084 499 HH TYR 70 HH TYR 70 -5.412 -5.644 0.932 500 H THR 71 H THR 71 -11.704 -0.912 4.037 501 HA THR 71 HA THR 71 -14.017 -1.609 5.710 502 HB THR 71 HB THR 71 -14.163 0.780 6.279 503 HG1 THR 71 HG1 THR 71 -12.776 2.292 5.396 504 HG21 THR 71 3HG2 THR 71 -11.322 -0.310 6.610 505 HG22 THR 71 1HG2 THR 71 -12.063 1.007 7.580 506 HG23 THR 71 2HG2 THR 71 -12.723 -0.660 7.678 507 H LYS 72 H LYS 72 -12.865 -0.266 2.592 508 HA LYS 72 HA LYS 72 -15.510 -0.262 1.508 509 HB2 LYS 72 2HB LYS 72 -15.524 1.842 2.878 510 HB3 LYS 72 3HB LYS 72 -14.118 2.418 1.972 511 HG2 LYS 72 2HG LYS 72 -15.433 2.406 -0.127 512 HG3 LYS 72 3HG LYS 72 -16.834 1.754 0.732 513 HD2 LYS 72 2HD LYS 72 -16.804 3.803 2.232 514 HD3 LYS 72 3HD LYS 72 -15.492 4.462 1.246 515 HE2 LYS 72 2HE LYS 72 -16.958 4.351 -0.780 516 HE3 LYS 72 3HE LYS 72 -18.270 3.693 0.206 517 HZ1 LYS 72 3HZ LYS 72 -17.022 6.340 0.583 518 HZ2 LYS 72 1HZ LYS 72 -18.485 6.059 -0.087 519 HZ3 LYS 72 2HZ LYS 72 -18.234 5.733 1.493 520 H VAL 73 H VAL 73 -15.414 -0.381 -0.756 521 HA VAL 73 HA VAL 73 -13.096 0.790 -2.042 522 HB VAL 73 HB VAL 73 -12.403 -1.556 -1.663 523 HG11 VAL 73 1HG1 VAL 73 -13.645 -3.413 -2.728 524 HG12 VAL 73 2HG1 VAL 73 -14.632 -2.578 -1.482 525 HG13 VAL 73 3HG1 VAL 73 -14.932 -2.262 -3.224 526 HG21 VAL 73 3HG2 VAL 73 -11.687 -0.419 -3.723 527 HG22 VAL 73 1HG2 VAL 73 -11.952 -2.171 -4.018 528 HG23 VAL 73 2HG2 VAL 73 -13.176 -0.974 -4.561 529 H VAL 74 H VAL 74 -13.610 1.617 -4.113 530 HA VAL 74 HA VAL 74 -16.392 1.144 -4.933 531 HB VAL 74 HB VAL 74 -14.875 3.801 -4.859 532 HG11 VAL 74 1HG1 VAL 74 -17.006 4.790 -5.644 533 HG12 VAL 74 2HG1 VAL 74 -16.327 3.630 -6.836 534 HG13 VAL 74 3HG1 VAL 74 -17.708 3.144 -5.796 535 HG21 VAL 74 3HG2 VAL 74 -15.651 3.076 -2.642 536 HG22 VAL 74 1HG2 VAL 74 -16.616 4.471 -3.232 537 HG23 VAL 74 2HG2 VAL 74 -17.304 2.813 -3.292 538 H GLU 75 H GLU 75 -16.239 0.052 -6.894 539 HA GLU 75 HA GLU 75 -15.721 -0.332 -9.026 540 HB2 GLU 75 2HB GLU 75 -15.430 2.711 -9.013 541 HB3 GLU 75 3HB GLU 75 -15.583 1.711 -10.464 542 HG2 GLU 75 2HG GLU 75 -17.838 0.947 -9.682 543 HG3 GLU 75 3HG GLU 75 -17.684 1.982 -8.256 544 H ASN 76 H ASN 76 -13.413 -0.406 -7.094 545 HA ASN 76 HA ASN 76 -11.208 -0.528 -7.086 546 HB2 ASN 76 2HB ASN 76 -11.465 -0.724 -10.110 547 HB3 ASN 76 3HB ASN 76 -10.084 -1.237 -9.132 548 HD21 ASN 76 1HD2 ASN 76 -12.660 -2.316 -10.771 549 HD22 ASN 76 2HD2 ASN 76 -12.900 -3.835 -9.975 550 H LYS 77 H LYS 77 -12.261 2.173 -7.046 551 HA LYS 77 HA LYS 77 -10.174 3.578 -8.589 552 HB2 LYS 77 2HB LYS 77 -13.110 4.288 -8.162 553 HB3 LYS 77 3HB LYS 77 -11.903 5.471 -8.681 554 HG2 LYS 77 2HG LYS 77 -11.480 4.252 -10.744 555 HG3 LYS 77 3HG LYS 77 -12.454 2.879 -10.201 556 HD2 LYS 77 2HD LYS 77 -14.468 4.430 -10.093 557 HD3 LYS 77 3HD LYS 77 -13.467 5.708 -10.794 558 HE2 LYS 77 2HE LYS 77 -13.078 4.371 -12.821 559 HE3 LYS 77 3HE LYS 77 -13.910 2.981 -12.112 560 HZ1 LYS 77 3HZ LYS 77 -15.145 5.577 -12.772 561 HZ2 LYS 77 1HZ LYS 77 -15.362 4.168 -13.570 562 HZ3 LYS 77 2HZ LYS 77 -15.925 4.339 -12.046 563 H ARG 78 H ARG 78 -11.931 3.096 -5.533 564 HA ARG 78 HA ARG 78 -9.725 4.454 -4.280 565 HB2 ARG 78 2HB ARG 78 -11.206 5.792 -2.778 566 HB3 ARG 78 3HB ARG 78 -11.032 6.383 -4.436 567 HG2 ARG 78 2HG ARG 78 -13.236 5.334 -5.008 568 HG3 ARG 78 3HG ARG 78 -13.411 4.835 -3.320 569 HD2 ARG 78 2HD ARG 78 -14.688 6.794 -3.625 570 HD3 ARG 78 3HD ARG 78 -13.281 7.217 -2.641 571 HE ARG 78 HE ARG 78 -12.757 7.741 -5.406 572 HH11 ARG 78 1HH1 ARG 78 -14.594 8.993 -2.684 573 HH12 ARG 78 2HH1 ARG 78 -14.537 10.629 -3.252 574 HH21 ARG 78 1HH2 ARG 78 -12.701 9.840 -6.125 575 HH22 ARG 78 2HH2 ARG 78 -13.452 11.116 -5.227 576 H ILE 79 H ILE 79 -9.401 3.751 -2.071 577 HA ILE 79 HA ILE 79 -11.186 1.658 -1.153 578 HB ILE 79 HB ILE 79 -9.653 0.523 -2.777 579 HG12 ILE 79 2HG1 ILE 79 -8.957 -0.233 0.095 580 HG13 ILE 79 3HG1 ILE 79 -10.554 -0.525 -0.609 581 HG21 ILE 79 1HG2 ILE 79 -7.251 0.319 -2.226 582 HG22 ILE 79 2HG2 ILE 79 -7.718 2.022 -2.557 583 HG23 ILE 79 3HG2 ILE 79 -7.469 1.472 -0.866 584 HD11 ILE 79 3HD1 ILE 79 -7.911 -1.630 -1.665 585 HD12 ILE 79 1HD1 ILE 79 -9.151 -2.536 -0.734 586 HD13 ILE 79 2HD1 ILE 79 -9.532 -1.927 -2.380 587 H GLU 80 H GLU 80 -11.150 1.497 1.105 588 HA GLU 80 HA GLU 80 -8.952 2.936 2.451 589 HB2 GLU 80 2HB GLU 80 -11.133 4.185 2.452 590 HB3 GLU 80 3HB GLU 80 -11.899 2.805 3.250 591 HG2 GLU 80 2HG GLU 80 -10.271 3.081 5.171 592 HG3 GLU 80 3HG GLU 80 -9.652 4.540 4.384 593 H TYR 81 H TYR 81 -8.063 1.947 4.299 594 HA TYR 81 HA TYR 81 -9.357 -0.479 5.282 595 HB2 TYR 81 2HB TYR 81 -7.235 -1.748 5.108 596 HB3 TYR 81 3HB TYR 81 -7.896 -1.326 3.522 597 HD1 TYR 81 HD1 TYR 81 -6.795 0.392 2.116 598 HD2 TYR 81 HD2 TYR 81 -5.133 -0.791 5.893 599 HE1 TYR 81 HE1 TYR 81 -4.641 1.438 1.491 600 HE2 TYR 81 HE2 TYR 81 -2.976 0.257 5.275 601 HH TYR 81 HH TYR 81 -2.148 2.030 3.768 602 H ALA 82 H ALA 82 -8.362 -1.227 7.375 603 HA ALA 82 HA ALA 82 -7.227 1.112 8.777 604 HB1 ALA 82 3HB ALA 82 -9.306 -0.919 9.731 605 HB2 ALA 82 1HB ALA 82 -8.581 0.386 10.730 606 HB3 ALA 82 2HB ALA 82 -9.611 0.802 9.318 607 H PHE 83 H PHE 83 -5.544 0.739 10.245 608 HA PHE 83 HA PHE 83 -4.855 -2.095 10.694 609 HB2 PHE 83 2HB PHE 83 -3.274 -1.128 9.083 610 HB3 PHE 83 3HB PHE 83 -3.009 0.275 10.126 611 HD1 PHE 83 HD1 PHE 83 -2.388 -3.355 9.721 612 HD2 PHE 83 HD2 PHE 83 -1.565 0.151 12.062 613 HE1 PHE 83 HE1 PHE 83 -0.529 -4.542 10.848 614 HE2 PHE 83 HE2 PHE 83 0.297 -1.033 13.181 615 HZ PHE 83 HZ PHE 83 0.814 -3.383 12.581 616 H GLY 84 H GLY 84 -5.464 -2.438 12.822 617 HA2 GLY 84 2HA GLY 84 -5.417 -2.232 15.056 618 HA3 GLY 84 3HA GLY 84 -4.046 -1.128 14.882 619 H ASP 85 H ASP 85 -4.392 0.898 15.733 620 HA ASP 85 HA ASP 85 -7.170 1.857 15.807 621 HB2 ASP 85 2HB ASP 85 -6.336 3.442 17.494 622 HB3 ASP 85 3HB ASP 85 -6.006 1.769 17.964 623 H ARG 86 H ARG 86 -4.965 1.881 13.486 624 HA ARG 86 HA ARG 86 -5.300 4.761 12.964 625 HB2 ARG 86 2HB ARG 86 -3.000 2.950 12.194 626 HB3 ARG 86 3HB ARG 86 -3.269 4.566 11.527 627 HG2 ARG 86 2HG ARG 86 -3.169 5.482 13.881 628 HG3 ARG 86 3HG ARG 86 -2.738 3.862 14.444 629 HD2 ARG 86 2HD ARG 86 -1.175 5.483 12.424 630 HD3 ARG 86 3HD ARG 86 -0.820 5.390 14.154 631 HE ARG 86 HE ARG 86 -0.194 3.421 12.129 632 HH11 ARG 86 1HH1 ARG 86 -0.724 3.904 15.570 633 HH12 ARG 86 2HH1 ARG 86 0.157 2.482 16.021 634 HH21 ARG 86 1HH2 ARG 86 0.943 1.611 12.723 635 HH22 ARG 86 2HH2 ARG 86 1.115 1.166 14.388 636 H THR 87 H THR 87 -5.411 5.304 10.561 637 HA THR 87 HA THR 87 -6.666 3.098 9.094 638 HB THR 87 HB THR 87 -8.423 4.655 8.299 639 HG1 THR 87 HG1 THR 87 -8.616 6.733 9.405 640 HG21 THR 87 3HG2 THR 87 -8.201 4.545 11.347 641 HG22 THR 87 1HG2 THR 87 -9.704 4.847 10.411 642 HG23 THR 87 2HG2 THR 87 -8.871 3.261 10.286 643 H ALA 88 H ALA 88 -6.713 3.464 6.692 644 HA ALA 88 HA ALA 88 -5.243 5.803 5.760 645 HB1 ALA 88 3HB ALA 88 -4.485 2.923 5.064 646 HB2 ALA 88 1HB ALA 88 -3.829 4.399 4.279 647 HB3 ALA 88 2HB ALA 88 -3.499 4.084 6.016 648 H LYS 89 H LYS 89 -5.812 6.436 3.611 649 HA LYS 89 HA LYS 89 -7.877 4.775 2.337 650 HB2 LYS 89 2HB LYS 89 -8.939 6.588 3.718 651 HB3 LYS 89 3HB LYS 89 -8.031 7.793 2.793 652 HG2 LYS 89 2HG LYS 89 -9.196 7.164 0.726 653 HG3 LYS 89 3HG LYS 89 -10.007 5.822 1.543 654 HD2 LYS 89 2HD LYS 89 -11.137 7.443 3.082 655 HD3 LYS 89 3HD LYS 89 -10.327 8.785 2.262 656 HE2 LYS 89 2HE LYS 89 -11.443 8.196 0.128 657 HE3 LYS 89 3HE LYS 89 -12.195 6.785 0.884 658 HZ1 LYS 89 3HZ LYS 89 -12.667 9.588 1.668 659 HZ2 LYS 89 1HZ LYS 89 -13.690 8.650 0.809 660 HZ3 LYS 89 2HZ LYS 89 -13.361 8.286 2.366 661 H VAL 90 H VAL 90 -7.605 4.576 0.128 662 HA VAL 90 HA VAL 90 -5.536 6.317 -1.027 663 HB VAL 90 HB VAL 90 -6.188 3.401 -1.698 664 HG11 VAL 90 1HG1 VAL 90 -4.171 3.526 -3.129 665 HG12 VAL 90 2HG1 VAL 90 -5.439 4.681 -3.659 666 HG13 VAL 90 3HG1 VAL 90 -4.012 5.272 -2.744 667 HG21 VAL 90 3HG2 VAL 90 -5.059 3.623 0.475 668 HG22 VAL 90 1HG2 VAL 90 -3.952 2.917 -0.751 669 HG23 VAL 90 2HG2 VAL 90 -3.785 4.641 -0.278 670 H GLU 91 H GLU 91 -6.023 7.354 -2.984 671 HA GLU 91 HA GLU 91 -8.502 6.474 -4.323 672 HB2 GLU 91 2HB GLU 91 -7.396 9.292 -3.910 673 HB3 GLU 91 3HB GLU 91 -8.708 8.899 -5.029 674 HG2 GLU 91 2HG GLU 91 -10.049 8.012 -3.089 675 HG3 GLU 91 3HG GLU 91 -8.751 8.509 -1.996 676 H PHE 92 H PHE 92 -8.474 6.466 -6.635 677 HA PHE 92 HA PHE 92 -5.775 6.831 -7.780 678 HB2 PHE 92 2HB PHE 92 -7.930 4.801 -8.548 679 HB3 PHE 92 3HB PHE 92 -6.359 4.995 -9.338 680 HD1 PHE 92 HD1 PHE 92 -8.106 3.802 -6.312 681 HD2 PHE 92 HD2 PHE 92 -4.306 4.216 -8.273 682 HE1 PHE 92 HE1 PHE 92 -7.101 2.205 -4.708 683 HE2 PHE 92 HE2 PHE 92 -3.306 2.615 -6.672 684 HZ PHE 92 HZ PHE 92 -4.703 1.607 -4.886 685 H LEU 93 H LEU 93 -5.628 8.248 -9.483 686 HA LEU 93 HA LEU 93 -8.187 9.097 -10.694 687 HB2 LEU 93 2HB LEU 93 -7.262 10.849 -9.258 688 HB3 LEU 93 3HB LEU 93 -5.666 10.680 -10.001 689 HG LEU 93 HG LEU 93 -6.673 11.451 -12.203 690 HD11 LEU 93 1HD1 LEU 93 -8.869 12.573 -12.121 691 HD12 LEU 93 2HD1 LEU 93 -9.007 10.824 -11.735 692 HD13 LEU 93 3HD1 LEU 93 -9.078 12.043 -10.418 693 HD21 LEU 93 3HD2 LEU 93 -5.444 12.970 -10.693 694 HD22 LEU 93 1HD2 LEU 93 -6.798 13.823 -11.508 695 HD23 LEU 93 2HD2 LEU 93 -6.960 13.312 -9.794 696 H GLU 94 H GLU 94 -8.358 8.844 -12.888 697 HA GLU 94 HA GLU 94 -6.112 7.743 -14.307 698 HB2 GLU 94 2HB GLU 94 -8.468 7.007 -14.661 699 HB3 GLU 94 3HB GLU 94 -8.889 8.628 -15.230 700 HG2 GLU 94 2HG GLU 94 -7.286 8.370 -17.131 701 HG3 GLU 94 3HG GLU 94 -6.885 6.743 -16.566 702 H ALA 95 H ALA 95 -4.488 8.969 -15.172 703 HA ALA 95 HA ALA 95 -5.169 11.694 -16.040 704 HB1 ALA 95 3HB ALA 95 -2.489 10.294 -15.584 705 HB2 ALA 95 1HB ALA 95 -2.706 12.000 -16.102 706 HB3 ALA 95 2HB ALA 95 -3.276 11.474 -14.482 707 HA PRO 96 HA PRO 96 -4.796 10.677 -20.333 708 HB2 PRO 96 2HB PRO 96 -3.390 12.891 -21.276 709 HB3 PRO 96 3HB PRO 96 -5.094 13.006 -20.815 710 HG2 PRO 96 2HG PRO 96 -2.627 13.722 -19.194 711 HG3 PRO 96 3HG PRO 96 -4.126 14.638 -19.396 712 HD2 PRO 96 2HD PRO 96 -3.717 13.151 -17.164 713 HD3 PRO 96 3HD PRO 96 -5.332 13.265 -17.877 714 H GLN 97 H GLN 97 -1.823 11.352 -18.485 715 HA GLN 97 HA GLN 97 -0.324 10.024 -20.641 716 HB2 GLN 97 2HB GLN 97 0.573 11.768 -18.292 717 HB3 GLN 97 3HB GLN 97 1.669 10.983 -19.437 718 HG2 GLN 97 2HG GLN 97 0.651 12.286 -21.301 719 HG3 GLN 97 3HG GLN 97 -0.441 13.072 -20.154 720 HE21 GLN 97 1HE2 GLN 97 0.703 14.981 -21.218 721 HE22 GLN 97 2HE2 GLN 97 2.138 15.568 -20.446 722 H GLY 98 H GLY 98 -1.838 9.366 -17.627 723 HA2 GLY 98 2HA GLY 98 -0.657 6.859 -17.285 724 HA3 GLY 98 3HA GLY 98 0.233 8.007 -16.276 725 H VAL 99 H VAL 99 -0.660 6.622 -14.445 726 HA VAL 99 HA VAL 99 -3.304 7.699 -13.733 727 HB VAL 99 HB VAL 99 -3.250 5.201 -13.974 728 HG11 VAL 99 1HG1 VAL 99 -1.976 3.859 -12.338 729 HG12 VAL 99 2HG1 VAL 99 -0.896 4.828 -13.395 730 HG13 VAL 99 3HG1 VAL 99 -1.212 5.357 -11.709 731 HG21 VAL 99 3HG2 VAL 99 -4.809 6.264 -12.399 732 HG22 VAL 99 1HG2 VAL 99 -4.232 4.688 -11.761 733 HG23 VAL 99 2HG2 VAL 99 -3.559 6.221 -11.111 734 H THR 100 H THR 100 -3.448 8.889 -11.816 735 HA THR 100 HA THR 100 -0.950 9.158 -10.321 736 HB THR 100 HB THR 100 -3.502 10.852 -10.376 737 HG1 THR 100 HG1 THR 100 -0.771 11.360 -11.262 738 HG21 THR 100 3HG2 THR 100 -0.881 11.271 -8.854 739 HG22 THR 100 1HG2 THR 100 -2.240 12.442 -8.953 740 HG23 THR 100 2HG2 THR 100 -2.474 10.862 -8.131 741 H VAL 101 H VAL 101 -0.749 8.259 -8.282 742 HA VAL 101 HA VAL 101 -3.234 7.227 -7.098 743 HB VAL 101 HB VAL 101 -0.338 6.277 -6.770 744 HG11 VAL 101 1HG1 VAL 101 -1.328 4.388 -5.522 745 HG12 VAL 101 2HG1 VAL 101 -1.649 5.963 -4.720 746 HG13 VAL 101 3HG1 VAL 101 -2.948 5.151 -5.658 747 HG21 VAL 101 3HG2 VAL 101 -1.257 5.744 -8.981 748 HG22 VAL 101 1HG2 VAL 101 -1.102 4.262 -7.978 749 HG23 VAL 101 2HG2 VAL 101 -2.712 5.020 -8.218 750 H ARG 102 H ARG 102 -3.887 8.155 -5.180 751 HA ARG 102 HA ARG 102 -1.828 9.637 -3.684 752 HB2 ARG 102 2HB ARG 102 -3.414 11.164 -4.624 753 HB3 ARG 102 3HB ARG 102 -4.779 10.210 -4.028 754 HG2 ARG 102 2HG ARG 102 -4.113 10.698 -1.693 755 HG3 ARG 102 3HG ARG 102 -2.730 11.633 -2.276 756 HD2 ARG 102 2HD ARG 102 -5.634 12.261 -2.847 757 HD3 ARG 102 3HD ARG 102 -4.658 13.001 -1.572 758 HE ARG 102 HE ARG 102 -3.243 13.443 -3.922 759 HH11 ARG 102 1HH1 ARG 102 -6.476 14.203 -2.776 760 HH12 ARG 102 2HH1 ARG 102 -6.577 15.673 -3.687 761 HH21 ARG 102 1HH2 ARG 102 -3.390 15.322 -5.091 762 HH22 ARG 102 2HH2 ARG 102 -4.807 16.316 -5.016 763 H VAL 103 H VAL 103 -1.344 8.883 -1.667 764 HA VAL 103 HA VAL 103 -3.358 7.137 -0.427 765 HB VAL 103 HB VAL 103 -0.305 6.990 -0.241 766 HG11 VAL 103 1HG1 VAL 103 -0.707 4.927 1.069 767 HG12 VAL 103 2HG1 VAL 103 -1.393 6.376 1.878 768 HG13 VAL 103 3HG1 VAL 103 -2.475 5.237 1.007 769 HG21 VAL 103 3HG2 VAL 103 -1.166 6.179 -2.396 770 HG22 VAL 103 1HG2 VAL 103 -0.575 4.814 -1.390 771 HG23 VAL 103 2HG2 VAL 103 -2.338 5.119 -1.544 772 H SER 104 H SER 104 -4.180 7.949 1.481 773 HA SER 104 HA SER 104 -2.382 9.680 3.063 774 HB2 SER 104 2HB SER 104 -5.425 9.610 2.848 775 HB3 SER 104 3HB SER 104 -4.529 10.559 4.041 776 HG SER 104 HG SER 104 -5.097 11.797 2.170 777 H PHE 105 H PHE 105 -1.916 9.068 5.162 778 HA PHE 105 HA PHE 105 -3.514 6.923 6.344 779 HB2 PHE 105 2HB PHE 105 -1.559 5.562 6.815 780 HB3 PHE 105 3HB PHE 105 -1.652 5.831 5.070 781 HD1 PHE 105 HD1 PHE 105 -0.116 7.485 3.979 782 HD2 PHE 105 HD2 PHE 105 0.294 6.357 8.103 783 HE1 PHE 105 HE1 PHE 105 2.198 8.372 3.989 784 HE2 PHE 105 HE2 PHE 105 2.605 7.246 8.118 785 HZ PHE 105 HZ PHE 105 3.564 8.247 6.058 786 H VAL 106 H VAL 106 -3.166 6.725 8.702 787 HA VAL 106 HA VAL 106 -2.472 9.250 9.875 788 HB VAL 106 HB VAL 106 -3.306 6.563 11.083 789 HG11 VAL 106 1HG1 VAL 106 -3.705 7.845 13.164 790 HG12 VAL 106 2HG1 VAL 106 -1.975 7.873 12.684 791 HG13 VAL 106 3HG1 VAL 106 -3.012 9.309 12.389 792 HG21 VAL 106 3HG2 VAL 106 -5.046 7.622 9.707 793 HG22 VAL 106 1HG2 VAL 106 -5.473 7.699 11.450 794 HG23 VAL 106 2HG2 VAL 106 -4.844 9.159 10.614 795 H ALA 107 H ALA 107 -0.562 9.793 10.942 796 HA ALA 107 HA ALA 107 1.673 8.042 10.581 797 HB1 ALA 107 3HB ALA 107 1.341 10.681 12.089 798 HB2 ALA 107 1HB ALA 107 2.902 9.879 11.710 799 HB3 ALA 107 2HB ALA 107 1.861 10.489 10.381 800 H GLU 108 H GLU 108 2.804 6.800 12.095 801 HA GLU 108 HA GLU 108 1.379 6.072 14.464 802 HB2 GLU 108 2HB GLU 108 2.762 4.505 13.083 803 HB3 GLU 108 3HB GLU 108 4.213 5.416 13.520 804 HG2 GLU 108 2HG GLU 108 3.929 4.821 15.891 805 HG3 GLU 108 3HG GLU 108 2.391 4.020 15.540 806 H THR 109 H THR 109 1.617 6.834 16.552 807 HA THR 109 HA THR 109 2.949 9.306 16.814 808 HB THR 109 HB THR 109 2.205 9.177 19.184 809 HG1 THR 109 HG1 THR 109 0.999 7.248 19.826 810 HG21 THR 109 3HG2 THR 109 0.110 8.208 17.177 811 HG22 THR 109 1HG2 THR 109 -0.229 9.005 18.750 812 HG23 THR 109 2HG2 THR 109 0.611 9.912 17.447 813 H GLU 110 H GLU 110 3.949 5.950 17.314 814 HA GLU 110 HA GLU 110 5.906 6.500 19.315 815 HB2 GLU 110 2HB GLU 110 5.476 4.192 17.362 816 HB3 GLU 110 3HB GLU 110 6.747 4.208 18.591 817 HG2 GLU 110 2HG GLU 110 5.041 4.357 20.386 818 HG3 GLU 110 3HG GLU 110 3.751 4.410 19.177 819 H TYR 111 H TYR 111 5.740 7.153 15.897 820 HA TYR 111 HA TYR 111 8.656 7.586 15.919 821 HB2 TYR 111 2HB TYR 111 6.870 6.564 13.659 822 HB3 TYR 111 3HB TYR 111 8.520 7.152 13.417 823 HD1 TYR 111 HD1 TYR 111 6.449 4.436 14.835 824 HD2 TYR 111 HD2 TYR 111 10.448 5.847 14.171 825 HE1 TYR 111 HE1 TYR 111 7.329 2.183 15.367 826 HE2 TYR 111 HE2 TYR 111 11.334 3.599 14.702 827 HH TYR 111 HH TYR 111 10.868 1.519 15.282 828 HA PRO 112 HA PRO 112 7.663 11.756 14.756 829 HB2 PRO 112 2HB PRO 112 9.927 12.354 13.252 830 HB3 PRO 112 3HB PRO 112 10.002 12.232 15.015 831 HG2 PRO 112 2HG PRO 112 10.720 10.147 12.926 832 HG3 PRO 112 3HG PRO 112 11.615 10.617 14.377 833 HD2 PRO 112 2HD PRO 112 10.068 8.381 14.365 834 HD3 PRO 112 3HD PRO 112 10.196 9.377 15.820 835 H VAL 113 H VAL 113 6.882 13.068 13.088 836 HA VAL 113 HA VAL 113 5.463 11.674 11.200 837 HB VAL 113 HB VAL 113 6.374 14.590 11.275 838 HG11 VAL 113 1HG1 VAL 113 4.588 15.034 9.617 839 HG12 VAL 113 2HG1 VAL 113 5.866 13.960 8.952 840 HG13 VAL 113 3HG1 VAL 113 4.292 13.268 9.471 841 HG21 VAL 113 3HG2 VAL 113 4.926 13.883 13.132 842 HG22 VAL 113 1HG2 VAL 113 4.048 14.989 12.022 843 HG23 VAL 113 2HG2 VAL 113 3.731 13.222 11.965 844 H GLU 114 H GLU 114 8.738 13.214 10.929 845 HA GLU 114 HA GLU 114 8.934 13.060 8.138 846 HB2 GLU 114 2HB GLU 114 11.001 13.042 10.384 847 HB3 GLU 114 3HB GLU 114 11.442 13.086 8.672 848 HG2 GLU 114 2HG GLU 114 10.274 15.231 8.378 849 HG3 GLU 114 3HG GLU 114 9.675 15.173 10.041 850 H GLN 115 H GLN 115 9.709 10.653 10.747 851 HA GLN 115 HA GLN 115 11.069 8.877 9.033 852 HB2 GLN 115 2HB GLN 115 11.260 8.878 11.510 853 HB3 GLN 115 3HB GLN 115 9.558 8.419 11.656 854 HG2 GLN 115 2HG GLN 115 10.946 6.458 11.986 855 HG3 GLN 115 3HG GLN 115 10.036 6.276 10.481 856 HE21 GLN 115 1HE2 GLN 115 11.315 5.091 9.175 857 HE22 GLN 115 2HE2 GLN 115 12.964 5.448 8.783 858 H GLN 116 H GLN 116 7.585 9.149 10.054 859 HA GLN 116 HA GLN 116 6.817 6.736 8.775 860 HB2 GLN 116 2HB GLN 116 5.339 9.220 9.751 861 HB3 GLN 116 3HB GLN 116 4.498 7.882 8.958 862 HG2 GLN 116 2HG GLN 116 6.175 7.649 11.501 863 HG3 GLN 116 3HG GLN 116 4.411 7.764 11.446 864 HE21 GLN 116 1HE2 GLN 116 6.747 5.623 11.990 865 HE22 GLN 116 2HE2 GLN 116 6.058 4.177 11.332 866 H GLN 117 H GLN 117 6.909 10.222 7.745 867 HA GLN 117 HA GLN 117 5.483 9.842 5.357 868 HB2 GLN 117 2HB GLN 117 5.912 12.044 6.414 869 HB3 GLN 117 3HB GLN 117 7.648 11.865 6.127 870 HG2 GLN 117 2HG GLN 117 7.232 11.844 3.667 871 HG3 GLN 117 3HG GLN 117 5.500 12.043 3.963 872 HE21 GLN 117 1HE2 GLN 117 6.221 13.948 2.462 873 HE22 GLN 117 2HE2 GLN 117 6.580 15.436 3.272 874 H GLN 118 H GLN 118 9.080 9.836 6.040 875 HA GLN 118 HA GLN 118 9.720 9.481 3.296 876 HB2 GLN 118 2HB GLN 118 11.270 9.146 5.908 877 HB3 GLN 118 3HB GLN 118 12.004 8.887 4.320 878 HG2 GLN 118 2HG GLN 118 11.544 11.215 3.680 879 HG3 GLN 118 3HG GLN 118 10.679 11.495 5.197 880 HE21 GLN 118 1HE2 GLN 118 12.620 13.222 4.763 881 HE22 GLN 118 2HE2 GLN 118 14.035 12.898 5.708 882 H GLY 119 H GLY 119 9.377 7.223 6.137 883 HA2 GLY 119 2HA GLY 119 10.379 4.951 4.823 884 HA3 GLY 119 3HA GLY 119 9.297 4.986 6.221 885 H TRP 120 H TRP 120 6.969 6.235 5.145 886 HA TRP 120 HA TRP 120 5.790 4.118 3.707 887 HB2 TRP 120 2HB TRP 120 4.675 5.868 5.211 888 HB3 TRP 120 3HB TRP 120 4.870 7.028 3.891 889 HD1 TRP 120 HD1 TRP 120 3.334 6.674 1.675 890 HE1 TRP 120 HE1 TRP 120 1.141 5.352 1.302 891 HE3 TRP 120 HE3 TRP 120 3.432 3.741 5.893 892 HZ2 TRP 120 HZ2 TRP 120 -0.346 3.349 2.601 893 HZ3 TRP 120 HZ3 TRP 120 1.577 2.135 6.265 894 HH2 TRP 120 HH2 TRP 120 -0.287 1.941 4.638 895 H GLN 121 H GLN 121 7.230 7.292 2.672 896 HA GLN 121 HA GLN 121 6.415 7.133 -0.003 897 HB2 GLN 121 2HB GLN 121 7.331 9.165 1.088 898 HB3 GLN 121 3HB GLN 121 8.902 8.375 1.278 899 HG2 GLN 121 2HG GLN 121 9.005 9.879 -0.615 900 HG3 GLN 121 3HG GLN 121 9.112 8.215 -1.204 901 HE21 GLN 121 1HE2 GLN 121 8.108 8.086 -3.115 902 HE22 GLN 121 2HE2 GLN 121 6.558 8.755 -3.502 903 H ALA 122 H ALA 122 9.274 5.731 1.742 904 HA ALA 122 HA ALA 122 10.608 4.809 -0.548 905 HB1 ALA 122 3HB ALA 122 10.487 3.693 2.297 906 HB2 ALA 122 1HB ALA 122 11.707 3.259 1.052 907 HB3 ALA 122 2HB ALA 122 11.632 4.937 1.689 908 H ILE 123 H ILE 123 7.897 3.392 1.399 909 HA ILE 123 HA ILE 123 7.902 0.920 0.076 910 HB ILE 123 HB ILE 123 5.698 2.521 1.468 911 HG12 ILE 123 2HG1 ILE 123 7.183 0.013 2.368 912 HG13 ILE 123 3HG1 ILE 123 7.725 1.648 2.767 913 HG21 ILE 123 1HG2 ILE 123 4.396 0.420 1.495 914 HG22 ILE 123 2HG2 ILE 123 4.684 1.006 -0.178 915 HG23 ILE 123 3HG2 ILE 123 5.646 -0.364 0.471 916 HD11 ILE 123 3HD1 ILE 123 5.027 0.432 3.514 917 HD12 ILE 123 1HD1 ILE 123 6.430 0.671 4.609 918 HD13 ILE 123 2HD1 ILE 123 5.576 2.093 3.919 919 H LEU 124 H LEU 124 6.145 4.050 -0.588 920 HA LEU 124 HA LEU 124 4.723 3.057 -2.821 921 HB2 LEU 124 2HB LEU 124 4.273 5.156 -1.435 922 HB3 LEU 124 3HB LEU 124 5.645 5.913 -2.254 923 HG LEU 124 HG LEU 124 4.494 5.622 -4.456 924 HD11 LEU 124 1HD1 LEU 124 2.127 4.929 -4.492 925 HD12 LEU 124 2HD1 LEU 124 3.192 3.610 -3.898 926 HD13 LEU 124 3HD1 LEU 124 2.206 4.561 -2.736 927 HD21 LEU 124 3HD2 LEU 124 4.234 7.701 -3.147 928 HD22 LEU 124 1HD2 LEU 124 2.730 7.310 -4.049 929 HD23 LEU 124 2HD2 LEU 124 2.829 6.988 -2.285 930 H ASN 125 H ASN 125 8.038 4.431 -2.416 931 HA ASN 125 HA ASN 125 8.549 4.764 -5.160 932 HB2 ASN 125 2HB ASN 125 10.328 4.276 -2.750 933 HB3 ASN 125 3HB ASN 125 10.972 4.498 -4.382 934 HD21 ASN 125 1HD2 ASN 125 11.670 6.165 -2.352 935 HD22 ASN 125 2HD2 ASN 125 11.064 7.750 -2.696 936 H ASN 126 H ASN 126 8.845 1.914 -2.933 937 HA ASN 126 HA ASN 126 10.080 0.255 -4.860 938 HB2 ASN 126 2HB ASN 126 8.574 -0.183 -2.281 939 HB3 ASN 126 3HB ASN 126 8.972 -1.558 -3.320 940 HD21 ASN 126 1HD2 ASN 126 9.951 0.139 -0.734 941 HD22 ASN 126 2HD2 ASN 126 11.636 -0.262 -0.744 942 H PHE 127 H PHE 127 6.642 1.070 -4.094 943 HA PHE 127 HA PHE 127 5.438 -0.861 -5.717 944 HB2 PHE 127 2HB PHE 127 4.205 0.531 -4.121 945 HB3 PHE 127 3HB PHE 127 4.641 2.001 -5.004 946 HD1 PHE 127 HD1 PHE 127 2.648 -1.138 -5.168 947 HD2 PHE 127 HD2 PHE 127 3.430 2.692 -6.951 948 HE1 PHE 127 HE1 PHE 127 0.611 -1.367 -6.558 949 HE2 PHE 127 HE2 PHE 127 1.392 2.464 -8.335 950 HZ PHE 127 HZ PHE 127 -0.020 0.432 -8.143 951 H LYS 128 H LYS 128 6.522 2.542 -6.522 952 HA LYS 128 HA LYS 128 5.857 2.378 -9.240 953 HB2 LYS 128 2HB LYS 128 6.344 4.482 -8.050 954 HB3 LYS 128 3HB LYS 128 8.012 3.967 -7.765 955 HG2 LYS 128 2HG LYS 128 8.458 3.992 -10.206 956 HG3 LYS 128 3HG LYS 128 6.778 4.444 -10.524 957 HD2 LYS 128 2HD LYS 128 7.080 6.552 -9.234 958 HD3 LYS 128 3HD LYS 128 8.745 6.096 -8.850 959 HE2 LYS 128 2HE LYS 128 9.269 6.043 -11.315 960 HE3 LYS 128 3HE LYS 128 7.617 6.572 -11.659 961 HZ1 LYS 128 3HZ LYS 128 9.595 8.089 -10.081 962 HZ2 LYS 128 1HZ LYS 128 9.145 8.413 -11.616 963 HZ3 LYS 128 2HZ LYS 128 8.070 8.577 -10.398 964 H ARG 129 H ARG 129 8.889 1.474 -7.438 965 HA ARG 129 HA ARG 129 10.430 0.857 -9.664 966 HB2 ARG 129 2HB ARG 129 11.384 1.029 -7.475 967 HB3 ARG 129 3HB ARG 129 10.407 -0.318 -6.878 968 HG2 ARG 129 2HG ARG 129 11.576 -1.846 -8.476 969 HG3 ARG 129 3HG ARG 129 12.580 -0.492 -9.012 970 HD2 ARG 129 2HD ARG 129 13.766 -1.880 -7.440 971 HD3 ARG 129 3HD ARG 129 13.518 -0.254 -6.791 972 HE ARG 129 HE ARG 129 12.253 -1.145 -5.085 973 HH11 ARG 129 1HH1 ARG 129 12.566 -3.591 -7.588 974 HH12 ARG 129 2HH1 ARG 129 11.923 -4.855 -6.593 975 HH21 ARG 129 1HH2 ARG 129 11.418 -2.771 -3.828 976 HH22 ARG 129 2HH2 ARG 129 11.263 -4.386 -4.435 977 H HIS 130 H HIS 130 7.914 -1.107 -7.941 978 HA HIS 130 HA HIS 130 8.466 -3.478 -9.388 979 HB2 HIS 130 2HB HIS 130 7.184 -3.172 -7.170 980 HB3 HIS 130 3HB HIS 130 5.810 -2.636 -8.146 981 HD2 HIS 130 HD2 HIS 130 4.136 -4.716 -8.677 982 HE1 HIS 130 HE1 HIS 130 7.036 -7.865 -8.632 983 H VAL 131 H VAL 131 6.232 -0.665 -9.939 984 HA VAL 131 HA VAL 131 4.969 -1.723 -12.186 985 HB VAL 131 HB VAL 131 5.667 1.144 -11.380 986 HG11 VAL 131 1HG1 VAL 131 3.991 1.862 -13.055 987 HG12 VAL 131 2HG1 VAL 131 5.387 1.031 -13.820 988 HG13 VAL 131 3HG1 VAL 131 3.828 0.163 -13.614 989 HG21 VAL 131 3HG2 VAL 131 4.132 -0.033 -9.865 990 HG22 VAL 131 1HG2 VAL 131 3.269 1.250 -10.778 991 HG23 VAL 131 2HG2 VAL 131 3.079 -0.472 -11.252 992 H GLU 132 H GLU 132 8.100 0.098 -11.811 993 HA GLU 132 HA GLU 132 8.634 0.284 -14.572 994 HB2 GLU 132 2HB GLU 132 10.372 0.280 -12.068 995 HB3 GLU 132 3HB GLU 132 11.050 0.471 -13.690 996 HG2 GLU 132 2HG GLU 132 9.684 2.509 -14.045 997 HG3 GLU 132 3HG GLU 132 8.940 2.307 -12.453 998 H SER 133 H SER 133 9.039 -2.361 -12.175 999 HA SER 133 HA SER 133 10.737 -3.933 -13.848 1000 HB2 SER 133 2HB SER 133 8.894 -4.623 -11.513 1001 HB3 SER 133 3HB SER 133 10.033 -5.750 -12.260 1002 HG SER 133 HG SER 133 10.635 -3.281 -10.902 1003 H HIS 134 H HIS 134 7.352 -3.100 -13.986 1004 HA HIS 134 HA HIS 134 6.698 -5.531 -15.461 1005 HB2 HIS 134 2HB HIS 134 5.070 -3.062 -14.679 1006 HB3 HIS 134 3HB HIS 134 4.430 -4.430 -15.600 1007 HD2 HIS 134 HD2 HIS 134 6.406 -6.381 -13.258 1008 HE1 HIS 134 HE1 HIS 134 2.979 -5.313 -10.926 1009 H LEU 135 H LEU 135 8.535 -2.935 -16.250 1010 HA LEU 135 HA LEU 135 7.284 -2.336 -18.799 1011 HB2 LEU 135 2HB LEU 135 10.031 -1.648 -17.642 1012 HB3 LEU 135 3HB LEU 135 9.355 -1.002 -19.143 1013 HG LEU 135 HG LEU 135 8.183 -0.552 -16.348 1014 HD11 LEU 135 1HD1 LEU 135 8.993 1.759 -16.650 1015 HD12 LEU 135 2HD1 LEU 135 10.346 0.579 -16.673 1016 HD13 LEU 135 3HD1 LEU 135 9.750 1.293 -18.210 1017 HD21 LEU 135 3HD2 LEU 135 6.484 -0.568 -18.137 1018 HD22 LEU 135 1HD2 LEU 135 6.747 1.093 -17.506 1019 HD23 LEU 135 2HD2 LEU 135 7.460 0.607 -19.081 1020 H GLU 136 H GLU 136 9.583 -2.274 -20.487 1021 HA GLU 136 HA GLU 136 9.523 -5.015 -21.298 1022 HB2 GLU 136 2HB GLU 136 11.080 -2.590 -22.320 1023 HB3 GLU 136 3HB GLU 136 11.021 -4.163 -23.126 1024 HG2 GLU 136 2HG GLU 136 8.596 -3.939 -23.486 1025 HG3 GLU 136 3HG GLU 136 8.564 -2.431 -22.564 1026 H HIS 137 H HIS 137 10.525 -5.856 -19.179 1027 HA HIS 137 HA HIS 137 13.195 -5.268 -18.542 1028 HB2 HIS 137 2HB HIS 137 11.430 -6.413 -17.096 1029 HB3 HIS 137 3HB HIS 137 11.671 -7.874 -18.062 1030 HD2 HIS 137 HD2 HIS 137 13.259 -6.063 -15.049 1031 HE1 HIS 137 HE1 HIS 137 15.940 -9.198 -16.195 1032 H HIS 138 H HIS 138 15.168 -6.101 -19.245 1033 HA HIS 138 HA HIS 138 14.981 -7.985 -21.503 1034 HB2 HIS 138 2HB HIS 138 17.152 -5.967 -20.750 1035 HB3 HIS 138 3HB HIS 138 17.225 -7.079 -22.123 1036 HD2 HIS 138 HD2 HIS 138 15.736 -3.618 -21.210 1037 HE1 HIS 138 HE1 HIS 138 14.285 -4.660 -25.100 Start of MODEL 18 1 H1 MET 1 1H MET 1 -1.897 13.679 14.356 2 H2 MET 1 2H MET 1 -3.100 13.184 13.369 3 H3 MET 1 3H MET 1 -1.864 12.176 13.719 4 HA MET 1 HA MET 1 -1.694 14.672 12.216 5 HB2 MET 1 2HB MET 1 0.324 14.254 13.557 6 HB3 MET 1 3HB MET 1 0.417 12.593 12.958 7 HG2 MET 1 2HG MET 1 2.048 13.955 11.787 8 HG3 MET 1 3HG MET 1 0.795 13.448 10.646 9 HE1 MET 1 3HE MET 1 2.417 16.203 12.695 10 HE2 MET 1 1HE MET 1 1.555 17.714 12.249 11 HE3 MET 1 2HE MET 1 0.784 16.536 13.365 12 H ASN 2 H ASN 2 -2.479 14.449 10.167 13 HA ASN 2 HA ASN 2 -2.529 11.752 9.031 14 HB2 ASN 2 2HB ASN 2 -3.833 14.359 8.165 15 HB3 ASN 2 3HB ASN 2 -3.934 12.840 7.266 16 HD21 ASN 2 1HD2 ASN 2 -5.485 14.777 9.390 17 HD22 ASN 2 2HD2 ASN 2 -6.586 13.626 10.071 18 H ILE 3 H ILE 3 -0.961 11.118 7.604 19 HA ILE 3 HA ILE 3 0.569 13.272 6.319 20 HB ILE 3 HB ILE 3 1.375 10.382 6.940 21 HG12 ILE 3 2HG1 ILE 3 1.246 11.773 8.958 22 HG13 ILE 3 3HG1 ILE 3 2.924 11.378 8.564 23 HG21 ILE 3 1HG2 ILE 3 3.622 11.084 6.185 24 HG22 ILE 3 2HG2 ILE 3 2.406 11.211 4.870 25 HG23 ILE 3 3HG2 ILE 3 2.962 12.689 5.724 26 HD11 ILE 3 3HD1 ILE 3 1.525 14.022 7.959 27 HD12 ILE 3 1HD1 ILE 3 2.708 13.717 9.275 28 HD13 ILE 3 2HD1 ILE 3 3.229 13.622 7.559 29 H THR 4 H THR 4 0.735 13.307 4.055 30 HA THR 4 HA THR 4 -0.684 11.122 2.691 31 HB THR 4 HB THR 4 -0.573 14.103 1.985 32 HG1 THR 4 HG1 THR 4 -2.940 12.540 2.506 33 HG21 THR 4 3HG2 THR 4 -1.976 11.769 0.592 34 HG22 THR 4 1HG2 THR 4 -2.137 13.505 0.159 35 HG23 THR 4 2HG2 THR 4 -0.555 12.675 -0.029 36 H VAL 5 H VAL 5 0.377 10.147 0.944 37 HA VAL 5 HA VAL 5 2.725 11.570 -0.091 38 HB VAL 5 HB VAL 5 3.812 9.308 -0.391 39 HG11 VAL 5 1HG1 VAL 5 4.521 9.080 1.971 40 HG12 VAL 5 2HG1 VAL 5 4.456 10.799 1.455 41 HG13 VAL 5 3HG1 VAL 5 3.146 10.119 2.478 42 HG21 VAL 5 3HG2 VAL 5 1.790 7.919 -0.260 43 HG22 VAL 5 1HG2 VAL 5 2.987 7.423 0.984 44 HG23 VAL 5 2HG2 VAL 5 1.555 8.400 1.455 45 H GLU 6 H GLU 6 3.293 10.945 -2.367 46 HA GLU 6 HA GLU 6 1.017 9.779 -3.807 47 HB2 GLU 6 2HB GLU 6 2.286 12.513 -4.295 48 HB3 GLU 6 3HB GLU 6 1.247 11.686 -5.462 49 HG2 GLU 6 2HG GLU 6 -0.623 11.704 -3.805 50 HG3 GLU 6 3HG GLU 6 0.417 12.540 -2.644 51 H THR 7 H THR 7 1.629 8.552 -5.606 52 HA THR 7 HA THR 7 4.191 9.199 -6.812 53 HB THR 7 HB THR 7 3.392 6.375 -5.935 54 HG1 THR 7 HG1 THR 7 5.644 6.696 -4.907 55 HG21 THR 7 3HG2 THR 7 5.805 7.359 -7.535 56 HG22 THR 7 1HG2 THR 7 5.550 5.684 -6.939 57 HG23 THR 7 2HG2 THR 7 4.441 6.378 -8.169 58 H THR 8 H THR 8 4.098 9.075 -9.071 59 HA THR 8 HA THR 8 1.539 8.124 -10.128 60 HB THR 8 HB THR 8 3.637 10.031 -11.287 61 HG1 THR 8 HG1 THR 8 1.863 11.566 -11.000 62 HG21 THR 8 3HG2 THR 8 0.934 9.139 -12.404 63 HG22 THR 8 1HG2 THR 8 1.991 10.414 -13.099 64 HG23 THR 8 2HG2 THR 8 2.548 8.707 -13.061 65 H VAL 9 H VAL 9 1.488 6.282 -11.399 66 HA VAL 9 HA VAL 9 4.091 5.342 -12.392 67 HB VAL 9 HB VAL 9 3.301 3.031 -11.996 68 HG11 VAL 9 1HG1 VAL 9 3.410 3.043 -9.524 69 HG12 VAL 9 2HG1 VAL 9 4.618 4.155 -10.252 70 HG13 VAL 9 3HG1 VAL 9 3.115 4.815 -9.524 71 HG21 VAL 9 3HG2 VAL 9 0.884 3.422 -12.218 72 HG22 VAL 9 1HG2 VAL 9 1.261 2.622 -10.655 73 HG23 VAL 9 2HG2 VAL 9 0.887 4.378 -10.698 74 H ALA 10 H ALA 10 4.075 4.248 -14.463 75 HA ALA 10 HA ALA 10 1.803 4.976 -16.120 76 HB1 ALA 10 3HB ALA 10 4.479 3.627 -16.734 77 HB2 ALA 10 1HB ALA 10 3.270 4.160 -17.951 78 HB3 ALA 10 2HB ALA 10 4.099 5.373 -16.918 79 H ALA 11 H ALA 11 0.259 3.472 -14.962 80 HA ALA 11 HA ALA 11 0.146 1.031 -16.494 81 HB1 ALA 11 3HB ALA 11 0.329 0.971 -13.440 82 HB2 ALA 11 1HB ALA 11 -0.107 -0.418 -14.491 83 HB3 ALA 11 2HB ALA 11 1.534 0.304 -14.592 84 HA PRO 12 HA PRO 12 -4.169 1.901 -16.359 85 HB2 PRO 12 2HB PRO 12 -4.471 -1.111 -15.961 86 HB3 PRO 12 3HB PRO 12 -5.224 -0.085 -17.188 87 HG2 PRO 12 2HG PRO 12 -3.195 -1.665 -17.884 88 HG3 PRO 12 3HG PRO 12 -3.272 -0.022 -18.533 89 HD2 PRO 12 2HD PRO 12 -1.524 -1.108 -16.295 90 HD3 PRO 12 3HD PRO 12 -1.111 0.052 -17.564 91 H VAL 13 H VAL 13 -5.905 2.207 -14.978 92 HA VAL 13 HA VAL 13 -5.067 2.492 -12.348 93 HB VAL 13 HB VAL 13 -7.854 2.508 -13.606 94 HG11 VAL 13 1HG1 VAL 13 -8.597 3.681 -11.554 95 HG12 VAL 13 2HG1 VAL 13 -8.034 2.012 -11.203 96 HG13 VAL 13 3HG1 VAL 13 -6.979 3.414 -10.822 97 HG21 VAL 13 3HG2 VAL 13 -6.324 4.243 -14.436 98 HG22 VAL 13 1HG2 VAL 13 -7.614 4.963 -13.416 99 HG23 VAL 13 2HG2 VAL 13 -5.960 4.746 -12.750 100 H GLY 14 H GLY 14 -7.153 -0.062 -13.912 101 HA2 GLY 14 2HA GLY 14 -7.971 -1.254 -11.494 102 HA3 GLY 14 3HA GLY 14 -7.981 -1.981 -13.106 103 H LYS 15 H LYS 15 -5.138 -1.896 -13.702 104 HA LYS 15 HA LYS 15 -4.298 -4.210 -12.323 105 HB2 LYS 15 2HB LYS 15 -2.880 -2.198 -14.124 106 HB3 LYS 15 3HB LYS 15 -2.085 -3.640 -13.479 107 HG2 LYS 15 2HG LYS 15 -3.835 -5.064 -14.602 108 HG3 LYS 15 3HG LYS 15 -4.541 -3.601 -15.301 109 HD2 LYS 15 2HD LYS 15 -2.341 -3.089 -16.410 110 HD3 LYS 15 3HD LYS 15 -1.669 -4.581 -15.738 111 HE2 LYS 15 2HE LYS 15 -3.413 -5.911 -16.943 112 HE3 LYS 15 3HE LYS 15 -4.088 -4.420 -17.613 113 HZ1 LYS 15 3HZ LYS 15 -1.350 -5.412 -18.089 114 HZ2 LYS 15 1HZ LYS 15 -2.590 -5.482 -19.149 115 HZ3 LYS 15 2HZ LYS 15 -1.973 -4.036 -18.708 116 H VAL 16 H VAL 16 -3.548 -0.680 -11.924 117 HA VAL 16 HA VAL 16 -1.487 -1.133 -10.048 118 HB VAL 16 HB VAL 16 -3.255 1.289 -10.656 119 HG11 VAL 16 1HG1 VAL 16 -1.611 2.615 -9.365 120 HG12 VAL 16 2HG1 VAL 16 -2.458 1.415 -8.333 121 HG13 VAL 16 3HG1 VAL 16 -0.777 1.101 -8.880 122 HG21 VAL 16 3HG2 VAL 16 -1.759 0.601 -12.481 123 HG22 VAL 16 1HG2 VAL 16 -1.208 2.147 -11.752 124 HG23 VAL 16 2HG2 VAL 16 -0.359 0.614 -11.355 125 H TRP 17 H TRP 17 -5.053 -0.448 -9.761 126 HA TRP 17 HA TRP 17 -5.114 -0.180 -6.979 127 HB2 TRP 17 2HB TRP 17 -6.963 0.402 -8.554 128 HB3 TRP 17 3HB TRP 17 -7.199 -1.314 -8.914 129 HD1 TRP 17 HD1 TRP 17 -7.806 1.301 -6.135 130 HE1 TRP 17 HE1 TRP 17 -9.462 0.307 -4.414 131 HE3 TRP 17 HE3 TRP 17 -8.016 -3.519 -7.902 132 HZ2 TRP 17 HZ2 TRP 17 -10.688 -2.163 -3.867 133 HZ3 TRP 17 HZ3 TRP 17 -9.455 -5.156 -6.716 134 HH2 TRP 17 HH2 TRP 17 -10.783 -4.484 -4.731 135 H ARG 18 H ARG 18 -5.430 -3.143 -9.089 136 HA ARG 18 HA ARG 18 -5.866 -4.873 -6.898 137 HB2 ARG 18 2HB ARG 18 -4.988 -5.327 -9.752 138 HB3 ARG 18 3HB ARG 18 -5.148 -6.642 -8.580 139 HG2 ARG 18 2HG ARG 18 -7.533 -6.063 -8.240 140 HG3 ARG 18 3HG ARG 18 -7.380 -4.727 -9.389 141 HD2 ARG 18 2HD ARG 18 -6.817 -6.317 -11.168 142 HD3 ARG 18 3HD ARG 18 -6.961 -7.655 -10.020 143 HE ARG 18 HE ARG 18 -9.391 -6.206 -9.994 144 HH11 ARG 18 1HH1 ARG 18 -7.535 -8.203 -12.210 145 HH12 ARG 18 2HH1 ARG 18 -8.940 -8.795 -13.032 146 HH21 ARG 18 1HH2 ARG 18 -11.180 -6.962 -11.065 147 HH22 ARG 18 2HH2 ARG 18 -11.032 -8.084 -12.377 148 H ALA 19 H ALA 19 -2.890 -3.704 -8.593 149 HA ALA 19 HA ALA 19 -1.178 -5.619 -7.396 150 HB1 ALA 19 3HB ALA 19 -0.635 -2.854 -8.579 151 HB2 ALA 19 1HB ALA 19 0.607 -4.094 -8.199 152 HB3 ALA 19 2HB ALA 19 -0.623 -4.414 -9.468 153 H TYR 20 H TYR 20 -2.485 -2.457 -6.323 154 HA TYR 20 HA TYR 20 -0.530 -1.779 -4.479 155 HB2 TYR 20 2HB TYR 20 -2.418 -0.332 -5.221 156 HB3 TYR 20 3HB TYR 20 -3.559 -1.372 -4.358 157 HD1 TYR 20 HD1 TYR 20 -0.532 0.786 -3.801 158 HD2 TYR 20 HD2 TYR 20 -4.072 -0.946 -2.100 159 HE1 TYR 20 HE1 TYR 20 -0.195 2.124 -1.746 160 HE2 TYR 20 HE2 TYR 20 -3.744 0.393 -0.045 161 HH TYR 20 HH TYR 20 -0.945 2.640 0.266 162 H THR 21 H THR 21 -2.963 -4.370 -4.372 163 HA THR 21 HA THR 21 -2.059 -4.942 -1.642 164 HB THR 21 HB THR 21 -4.389 -5.741 -1.127 165 HG1 THR 21 HG1 THR 21 -6.069 -4.791 -2.603 166 HG21 THR 21 3HG2 THR 21 -4.161 -2.802 -1.946 167 HG22 THR 21 1HG2 THR 21 -5.372 -3.487 -0.810 168 HG23 THR 21 2HG2 THR 21 -3.627 -3.512 -0.385 169 H THR 22 H THR 22 -1.110 -6.045 -4.242 170 HA THR 22 HA THR 22 -2.060 -8.792 -3.912 171 HB THR 22 HB THR 22 -0.227 -7.500 -6.000 172 HG1 THR 22 HG1 THR 22 -2.429 -6.961 -6.323 173 HG21 THR 22 3HG2 THR 22 -1.294 -10.358 -5.787 174 HG22 THR 22 1HG2 THR 22 -0.370 -9.680 -7.170 175 HG23 THR 22 2HG2 THR 22 0.412 -9.843 -5.561 176 HA PRO 23 HA PRO 23 1.340 -9.473 -1.099 177 HB2 PRO 23 2HB PRO 23 0.794 -12.330 -2.057 178 HB3 PRO 23 3HB PRO 23 0.988 -11.748 -0.399 179 HG2 PRO 23 2HG PRO 23 -1.457 -12.293 -1.299 180 HG3 PRO 23 3HG PRO 23 -1.207 -10.846 -0.313 181 HD2 PRO 23 2HD PRO 23 -1.601 -11.066 -3.310 182 HD3 PRO 23 3HD PRO 23 -2.177 -9.816 -2.200 183 H GLU 24 H GLU 24 1.290 -11.137 -4.324 184 HA GLU 24 HA GLU 24 4.037 -11.734 -4.256 185 HB2 GLU 24 2HB GLU 24 2.044 -11.336 -6.536 186 HB3 GLU 24 3HB GLU 24 3.708 -11.881 -6.785 187 HG2 GLU 24 2HG GLU 24 1.551 -13.324 -5.166 188 HG3 GLU 24 3HG GLU 24 2.161 -13.791 -6.759 189 H ASP 25 H ASP 25 2.208 -8.787 -5.253 190 HA ASP 25 HA ASP 25 4.545 -7.535 -6.355 191 HB2 ASP 25 2HB ASP 25 1.802 -6.493 -5.503 192 HB3 ASP 25 3HB ASP 25 3.045 -5.496 -6.269 193 H ILE 26 H ILE 26 2.760 -7.461 -3.183 194 HA ILE 26 HA ILE 26 4.018 -5.179 -2.220 195 HB ILE 26 HB ILE 26 2.761 -7.592 -0.831 196 HG12 ILE 26 2HG1 ILE 26 1.784 -4.714 -1.098 197 HG13 ILE 26 3HG1 ILE 26 1.372 -5.988 -2.254 198 HG21 ILE 26 1HG2 ILE 26 2.756 -6.241 1.239 199 HG22 ILE 26 2HG2 ILE 26 4.425 -6.607 0.684 200 HG23 ILE 26 3HG2 ILE 26 3.725 -4.975 0.411 201 HD11 ILE 26 3HD1 ILE 26 0.728 -6.012 0.729 202 HD12 ILE 26 1HD1 ILE 26 -0.421 -5.673 -0.609 203 HD13 ILE 26 2HD1 ILE 26 0.309 -7.305 -0.444 204 H LYS 27 H LYS 27 5.005 -8.662 -2.130 205 HA LYS 27 HA LYS 27 6.861 -8.491 -0.079 206 HB2 LYS 27 2HB LYS 27 7.679 -10.575 -0.882 207 HB3 LYS 27 3HB LYS 27 5.947 -10.561 -1.239 208 HG2 LYS 27 2HG LYS 27 6.498 -9.865 -3.613 209 HG3 LYS 27 3HG LYS 27 8.214 -10.042 -3.225 210 HD2 LYS 27 2HD LYS 27 7.735 -12.447 -2.527 211 HD3 LYS 27 3HD LYS 27 6.081 -12.236 -3.115 212 HE2 LYS 27 2HE LYS 27 7.035 -11.591 -5.382 213 HE3 LYS 27 3HE LYS 27 8.647 -11.980 -4.767 214 HZ1 LYS 27 3HZ LYS 27 6.402 -13.801 -5.240 215 HZ2 LYS 27 1HZ LYS 27 7.938 -13.903 -5.785 216 HZ3 LYS 27 2HZ LYS 27 7.604 -14.225 -4.219 217 H GLN 28 H GLN 28 7.021 -7.214 -3.383 218 HA GLN 28 HA GLN 28 9.882 -7.153 -3.492 219 HB2 GLN 28 2HB GLN 28 7.630 -5.826 -5.068 220 HB3 GLN 28 3HB GLN 28 9.335 -5.488 -5.396 221 HG2 GLN 28 2HG GLN 28 8.060 -8.263 -5.496 222 HG3 GLN 28 3HG GLN 28 8.328 -7.224 -6.901 223 HE21 GLN 28 1HE2 GLN 28 9.472 -9.905 -5.705 224 HE22 GLN 28 2HE2 GLN 28 11.177 -9.745 -5.969 225 H TRP 29 H TRP 29 7.303 -4.995 -2.213 226 HA TRP 29 HA TRP 29 8.932 -2.645 -2.576 227 HB2 TRP 29 2HB TRP 29 6.331 -2.922 -1.008 228 HB3 TRP 29 3HB TRP 29 7.007 -1.462 -1.742 229 HD1 TRP 29 HD1 TRP 29 7.680 -3.365 -4.548 230 HE1 TRP 29 HE1 TRP 29 5.702 -3.617 -6.194 231 HE3 TRP 29 HE3 TRP 29 3.835 -2.106 -1.382 232 HZ2 TRP 29 HZ2 TRP 29 2.904 -3.332 -6.166 233 HZ3 TRP 29 HZ3 TRP 29 1.507 -2.121 -2.268 234 HH2 TRP 29 HH2 TRP 29 1.049 -2.720 -4.596 235 H ASN 30 H ASN 30 8.677 -5.124 -0.148 236 HA ASN 30 HA ASN 30 9.115 -3.739 2.186 237 HB2 ASN 30 2HB ASN 30 10.236 -6.376 1.183 238 HB3 ASN 30 3HB ASN 30 10.503 -5.776 2.824 239 HD21 ASN 30 1HD2 ASN 30 9.289 -8.158 2.414 240 HD22 ASN 30 2HD2 ASN 30 7.645 -8.056 2.950 241 H ALA 31 H ALA 31 10.845 -2.610 3.112 242 HA ALA 31 HA ALA 31 12.666 -1.583 1.166 243 HB1 ALA 31 3HB ALA 31 12.397 -1.132 4.181 244 HB2 ALA 31 1HB ALA 31 13.401 -0.151 3.060 245 HB3 ALA 31 2HB ALA 31 11.614 -0.165 2.886 246 H ALA 32 H ALA 32 12.920 -3.849 3.979 247 HA ALA 32 HA ALA 32 15.708 -3.737 4.211 248 HB1 ALA 32 3HB ALA 32 13.732 -5.994 4.814 249 HB2 ALA 32 1HB ALA 32 15.423 -5.893 5.413 250 HB3 ALA 32 2HB ALA 32 14.212 -4.672 5.931 251 H SER 33 H SER 33 16.983 -6.056 3.927 252 HA SER 33 HA SER 33 17.376 -5.955 1.094 253 HB2 SER 33 2HB SER 33 19.279 -6.021 2.584 254 HB3 SER 33 3HB SER 33 18.678 -7.475 3.392 255 HG SER 33 HG SER 33 20.335 -7.941 1.846 256 H ASP 34 H ASP 34 17.382 -7.781 -0.393 257 HA ASP 34 HA ASP 34 15.151 -9.531 0.069 258 HB2 ASP 34 2HB ASP 34 17.177 -9.177 -2.185 259 HB3 ASP 34 3HB ASP 34 15.928 -10.429 -2.214 260 H ASP 35 H ASP 35 18.104 -9.672 1.489 261 HA ASP 35 HA ASP 35 18.682 -12.443 0.673 262 HB2 ASP 35 2HB ASP 35 20.452 -10.294 1.943 263 HB3 ASP 35 3HB ASP 35 20.965 -11.946 1.572 264 H TRP 36 H TRP 36 18.327 -10.218 3.531 265 HA TRP 36 HA TRP 36 18.308 -12.640 5.219 266 HB2 TRP 36 2HB TRP 36 19.102 -9.760 5.883 267 HB3 TRP 36 3HB TRP 36 19.012 -11.083 7.052 268 HD1 TRP 36 HD1 TRP 36 20.854 -13.131 6.730 269 HE1 TRP 36 HE1 TRP 36 23.249 -13.068 5.757 270 HE3 TRP 36 HE3 TRP 36 20.562 -8.688 4.168 271 HZ2 TRP 36 HZ2 TRP 36 24.804 -11.380 4.131 272 HZ3 TRP 36 HZ3 TRP 36 22.563 -7.902 2.913 273 HH2 TRP 36 HH2 TRP 36 24.631 -9.210 2.890 274 H HIS 37 H HIS 37 16.059 -11.094 3.651 275 HA HIS 37 HA HIS 37 14.352 -10.769 6.036 276 HB2 HIS 37 2HB HIS 37 14.786 -8.618 4.822 277 HB3 HIS 37 3HB HIS 37 14.145 -9.338 3.340 278 HD2 HIS 37 HD2 HIS 37 11.426 -9.055 3.040 279 HE1 HIS 37 HE1 HIS 37 10.529 -7.934 7.074 280 H THR 38 H THR 38 12.774 -12.322 6.182 281 HA THR 38 HA THR 38 11.896 -13.534 3.661 282 HB THR 38 HB THR 38 11.586 -14.460 6.564 283 HG1 THR 38 HG1 THR 38 13.003 -16.184 5.785 284 HG21 THR 38 3HG2 THR 38 10.724 -15.790 3.947 285 HG22 THR 38 1HG2 THR 38 10.641 -16.531 5.581 286 HG23 THR 38 2HG2 THR 38 9.633 -15.096 5.194 287 H THR 39 H THR 39 9.835 -13.099 2.896 288 HA THR 39 HA THR 39 7.974 -11.863 4.791 289 HB THR 39 HB THR 39 9.073 -10.053 3.491 290 HG1 THR 39 HG1 THR 39 6.754 -9.755 2.161 291 HG21 THR 39 3HG2 THR 39 7.949 -11.530 1.059 292 HG22 THR 39 1HG2 THR 39 8.730 -9.912 1.039 293 HG23 THR 39 2HG2 THR 39 9.685 -11.365 1.490 294 H ALA 40 H ALA 40 5.787 -12.477 4.498 295 HA ALA 40 HA ALA 40 4.967 -13.428 1.895 296 HB1 ALA 40 3HB ALA 40 4.798 -15.206 4.380 297 HB2 ALA 40 1HB ALA 40 4.007 -15.534 2.801 298 HB3 ALA 40 2HB ALA 40 5.799 -15.509 2.920 299 H ALA 41 H ALA 41 2.707 -13.170 1.553 300 HA ALA 41 HA ALA 41 1.243 -11.991 3.805 301 HB1 ALA 41 3HB ALA 41 1.690 -10.692 1.072 302 HB2 ALA 41 1HB ALA 41 0.572 -10.096 2.345 303 HB3 ALA 41 2HB ALA 41 2.343 -10.118 2.644 304 H THR 42 H THR 42 -1.063 -12.156 3.627 305 HA THR 42 HA THR 42 -2.010 -13.307 1.102 306 HB THR 42 HB THR 42 -2.926 -14.073 3.926 307 HG1 THR 42 HG1 THR 42 -2.120 -16.183 3.234 308 HG21 THR 42 3HG2 THR 42 -3.891 -15.012 1.180 309 HG22 THR 42 1HG2 THR 42 -4.416 -15.675 2.764 310 HG23 THR 42 2HG2 THR 42 -4.805 -13.977 2.328 311 H VAL 43 H VAL 43 -3.795 -12.235 0.229 312 HA VAL 43 HA VAL 43 -5.101 -10.289 2.000 313 HB VAL 43 HB VAL 43 -4.182 -9.876 -0.891 314 HG11 VAL 43 1HG1 VAL 43 -5.107 -7.593 -0.642 315 HG12 VAL 43 2HG1 VAL 43 -6.381 -8.850 -0.494 316 HG13 VAL 43 3HG1 VAL 43 -5.749 -8.035 0.976 317 HG21 VAL 43 3HG2 VAL 43 -2.368 -9.675 0.753 318 HG22 VAL 43 1HG2 VAL 43 -2.797 -8.068 0.075 319 HG23 VAL 43 2HG2 VAL 43 -3.354 -8.527 1.720 320 H ASP 44 H ASP 44 -7.333 -10.498 2.004 321 HA ASP 44 HA ASP 44 -8.575 -11.877 -0.265 322 HB2 ASP 44 2HB ASP 44 -9.160 -12.555 2.059 323 HB3 ASP 44 3HB ASP 44 -9.696 -10.906 2.408 324 H LEU 45 H LEU 45 -9.180 -10.619 -1.989 325 HA LEU 45 HA LEU 45 -9.240 -7.750 -1.596 326 HB2 LEU 45 2HB LEU 45 -9.520 -9.546 -4.054 327 HB3 LEU 45 3HB LEU 45 -9.512 -7.779 -4.105 328 HG LEU 45 HG LEU 45 -7.201 -9.533 -3.119 329 HD11 LEU 45 1HD1 LEU 45 -6.076 -8.767 -5.177 330 HD12 LEU 45 2HD1 LEU 45 -7.571 -9.690 -5.548 331 HD13 LEU 45 3HD1 LEU 45 -7.568 -7.899 -5.672 332 HD21 LEU 45 3HD2 LEU 45 -7.333 -7.359 -1.958 333 HD22 LEU 45 1HD2 LEU 45 -5.941 -7.405 -3.091 334 HD23 LEU 45 2HD2 LEU 45 -7.434 -6.514 -3.540 335 H ARG 46 H ARG 46 -11.191 -7.419 -0.338 336 HA ARG 46 HA ARG 46 -13.424 -7.000 -2.036 337 HB2 ARG 46 2HB ARG 46 -15.060 -8.374 -0.950 338 HB3 ARG 46 3HB ARG 46 -13.792 -9.371 -1.677 339 HG2 ARG 46 2HG ARG 46 -12.734 -9.619 0.580 340 HG3 ARG 46 3HG ARG 46 -14.059 -8.683 1.283 341 HD2 ARG 46 2HD ARG 46 -15.662 -10.352 0.669 342 HD3 ARG 46 3HD ARG 46 -14.459 -11.240 -0.275 343 HE ARG 46 HE ARG 46 -13.577 -12.132 1.689 344 HH11 ARG 46 1HH1 ARG 46 -15.945 -9.664 2.497 345 HH12 ARG 46 2HH1 ARG 46 -16.063 -10.158 4.153 346 HH21 ARG 46 1HH2 ARG 46 -13.729 -12.744 3.815 347 HH22 ARG 46 2HH2 ARG 46 -14.791 -11.925 4.910 348 H GLU 47 H GLU 47 -15.158 -5.750 -0.909 349 HA GLU 47 HA GLU 47 -14.247 -4.074 1.152 350 HB2 GLU 47 2HB GLU 47 -16.064 -3.493 -0.411 351 HB3 GLU 47 3HB GLU 47 -17.063 -4.810 0.218 352 HG2 GLU 47 2HG GLU 47 -17.201 -3.708 2.420 353 HG3 GLU 47 3HG GLU 47 -16.103 -2.431 1.882 354 H GLY 48 H GLY 48 -14.043 -4.398 3.343 355 HA2 GLY 48 2HA GLY 48 -14.586 -5.248 5.398 356 HA3 GLY 48 3HA GLY 48 -15.762 -6.340 4.654 357 H GLY 49 H GLY 49 -13.080 -6.770 2.705 358 HA2 GLY 49 2HA GLY 49 -12.614 -9.344 3.819 359 HA3 GLY 49 3HA GLY 49 -11.783 -8.589 2.454 360 H ALA 50 H ALA 50 -10.571 -10.226 4.617 361 HA ALA 50 HA ALA 50 -9.098 -8.198 6.147 362 HB1 ALA 50 3HB ALA 50 -9.297 -11.238 6.411 363 HB2 ALA 50 1HB ALA 50 -8.365 -10.150 7.495 364 HB3 ALA 50 2HB ALA 50 -10.155 -10.024 7.419 365 H PHE 51 H PHE 51 -6.752 -8.216 6.228 366 HA PHE 51 HA PHE 51 -5.440 -10.042 4.350 367 HB2 PHE 51 2HB PHE 51 -4.043 -8.184 3.491 368 HB3 PHE 51 3HB PHE 51 -5.748 -7.992 3.060 369 HD1 PHE 51 HD1 PHE 51 -7.111 -6.220 4.060 370 HD2 PHE 51 HD2 PHE 51 -2.967 -6.682 5.092 371 HE1 PHE 51 HE1 PHE 51 -7.105 -3.953 5.053 372 HE2 PHE 51 HE2 PHE 51 -2.965 -4.418 6.093 373 HZ PHE 51 HZ PHE 51 -5.032 -3.048 6.073 374 H SER 52 H SER 52 -3.103 -10.305 4.817 375 HA SER 52 HA SER 52 -2.172 -9.203 7.340 376 HB2 SER 52 2HB SER 52 -3.481 -11.151 8.067 377 HB3 SER 52 3HB SER 52 -2.657 -12.183 6.891 378 HG SER 52 HG SER 52 -1.124 -10.699 8.791 379 H SER 53 H SER 53 0.103 -9.161 7.468 380 HA SER 53 HA SER 53 1.545 -10.674 5.394 381 HB2 SER 53 2HB SER 53 1.301 -8.359 4.597 382 HB3 SER 53 3HB SER 53 1.908 -7.735 6.136 383 HG SER 53 HG SER 53 3.547 -7.815 4.504 384 H ARG 54 H ARG 54 3.162 -11.895 6.268 385 HA ARG 54 HA ARG 54 4.017 -11.162 8.985 386 HB2 ARG 54 2HB ARG 54 2.937 -13.325 8.854 387 HB3 ARG 54 3HB ARG 54 4.036 -13.839 7.567 388 HG2 ARG 54 2HG ARG 54 5.955 -13.677 9.114 389 HG3 ARG 54 3HG ARG 54 4.887 -13.104 10.402 390 HD2 ARG 54 2HD ARG 54 3.670 -15.215 10.366 391 HD3 ARG 54 3HD ARG 54 4.674 -15.791 9.029 392 HE ARG 54 HE ARG 54 6.365 -15.076 11.194 393 HH11 ARG 54 1HH1 ARG 54 3.948 -17.497 10.389 394 HH12 ARG 54 2HH1 ARG 54 4.669 -18.714 11.388 395 HH21 ARG 54 1HH2 ARG 54 7.270 -16.641 12.479 396 HH22 ARG 54 2HH2 ARG 54 6.576 -18.224 12.590 397 H MET 55 H MET 55 6.106 -10.507 9.336 398 HA MET 55 HA MET 55 8.042 -11.111 7.187 399 HB2 MET 55 2HB MET 55 7.819 -8.689 9.037 400 HB3 MET 55 3HB MET 55 9.203 -9.018 7.987 401 HG2 MET 55 2HG MET 55 7.723 -8.891 5.990 402 HG3 MET 55 3HG MET 55 6.334 -8.572 7.038 403 HE1 MET 55 3HE MET 55 7.632 -6.365 9.275 404 HE2 MET 55 1HE MET 55 6.841 -5.033 8.367 405 HE3 MET 55 2HE MET 55 6.026 -6.626 8.516 406 H GLU 56 H GLU 56 9.946 -12.136 7.784 407 HA GLU 56 HA GLU 56 10.495 -12.280 10.675 408 HB2 GLU 56 2HB GLU 56 10.637 -14.531 8.611 409 HB3 GLU 56 3HB GLU 56 11.298 -14.630 10.248 410 HG2 GLU 56 2HG GLU 56 8.362 -13.971 9.792 411 HG3 GLU 56 3HG GLU 56 8.935 -15.644 9.759 412 H ALA 57 H ALA 57 12.710 -12.177 11.259 413 HA ALA 57 HA ALA 57 14.530 -11.297 9.211 414 HB1 ALA 57 3HB ALA 57 14.909 -11.972 12.168 415 HB2 ALA 57 1HB ALA 57 16.127 -11.188 11.107 416 HB3 ALA 57 2HB ALA 57 14.585 -10.346 11.479 417 H LYS 58 H LYS 58 16.121 -12.470 8.161 418 HA LYS 58 HA LYS 58 15.869 -15.242 8.014 419 HB2 LYS 58 2HB LYS 58 16.842 -13.806 6.251 420 HB3 LYS 58 3HB LYS 58 18.204 -13.403 7.303 421 HG2 LYS 58 2HG LYS 58 18.982 -15.073 5.768 422 HG3 LYS 58 3HG LYS 58 18.822 -15.866 7.340 423 HD2 LYS 58 2HD LYS 58 16.643 -16.827 6.684 424 HD3 LYS 58 3HD LYS 58 16.678 -15.943 5.153 425 HE2 LYS 58 2HE LYS 58 18.762 -17.170 4.496 426 HE3 LYS 58 3HE LYS 58 18.716 -18.059 6.024 427 HZ1 LYS 58 3HZ LYS 58 16.623 -18.144 3.945 428 HZ2 LYS 58 1HZ LYS 58 17.723 -19.313 4.242 429 HZ3 LYS 58 2HZ LYS 58 16.581 -18.964 5.356 430 H ASP 59 H ASP 59 17.773 -13.180 10.235 431 HA ASP 59 HA ASP 59 19.466 -15.402 11.013 432 HB2 ASP 59 2HB ASP 59 20.536 -13.783 12.457 433 HB3 ASP 59 3HB ASP 59 20.316 -13.064 10.856 434 H GLY 60 H GLY 60 16.238 -14.528 11.691 435 HA2 GLY 60 2HA GLY 60 14.847 -15.717 13.008 436 HA3 GLY 60 3HA GLY 60 16.229 -16.634 13.622 437 H SER 61 H SER 61 16.485 -13.112 13.846 438 HA SER 61 HA SER 61 16.627 -13.422 16.721 439 HB2 SER 61 2HB SER 61 17.488 -11.144 16.656 440 HB3 SER 61 3HB SER 61 18.314 -12.134 15.446 441 HG SER 61 HG SER 61 17.225 -11.136 13.812 442 H MET 62 H MET 62 14.373 -12.062 14.280 443 HA MET 62 HA MET 62 12.440 -11.510 16.347 444 HB2 MET 62 2HB MET 62 12.240 -9.121 15.833 445 HB3 MET 62 3HB MET 62 13.839 -9.491 16.491 446 HG2 MET 62 2HG MET 62 14.704 -9.557 14.087 447 HG3 MET 62 3HG MET 62 13.126 -8.943 13.576 448 HE1 MET 62 3HE MET 62 16.690 -7.129 15.378 449 HE2 MET 62 1HE MET 62 15.612 -7.149 16.814 450 HE3 MET 62 2HE MET 62 15.945 -8.671 15.920 451 H GLY 63 H GLY 63 10.311 -10.786 15.364 452 HA2 GLY 63 2HA GLY 63 10.194 -10.459 12.521 453 HA3 GLY 63 3HA GLY 63 9.548 -12.023 13.034 454 H PHE 64 H PHE 64 7.870 -10.109 11.782 455 HA PHE 64 HA PHE 64 6.199 -9.246 14.053 456 HB2 PHE 64 2HB PHE 64 6.885 -7.709 11.499 457 HB3 PHE 64 3HB PHE 64 5.595 -7.251 12.618 458 HD1 PHE 64 HD1 PHE 64 6.129 -6.427 14.888 459 HD2 PHE 64 HD2 PHE 64 9.218 -7.364 12.054 460 HE1 PHE 64 HE1 PHE 64 7.761 -5.155 16.248 461 HE2 PHE 64 HE2 PHE 64 10.852 -6.095 13.417 462 HZ PHE 64 HZ PHE 64 10.127 -4.992 15.517 463 H ASP 65 H ASP 65 3.941 -9.501 13.765 464 HA ASP 65 HA ASP 65 3.131 -10.550 11.127 465 HB2 ASP 65 2HB ASP 65 2.961 -12.224 12.960 466 HB3 ASP 65 3HB ASP 65 1.956 -11.107 13.893 467 H PHE 66 H PHE 66 1.954 -9.068 9.982 468 HA PHE 66 HA PHE 66 0.548 -7.008 11.559 469 HB2 PHE 66 2HB PHE 66 1.841 -6.993 8.795 470 HB3 PHE 66 3HB PHE 66 0.718 -5.734 9.326 471 HD1 PHE 66 HD1 PHE 66 2.008 -6.341 12.340 472 HD2 PHE 66 HD2 PHE 66 3.408 -4.986 8.511 473 HE1 PHE 66 HE1 PHE 66 3.874 -5.146 13.444 474 HE2 PHE 66 HE2 PHE 66 5.272 -3.793 9.616 475 HZ PHE 66 HZ PHE 66 5.508 -3.868 12.085 476 H ALA 67 H ALA 67 -1.644 -6.585 11.160 477 HA ALA 67 HA ALA 67 -2.918 -8.086 8.996 478 HB1 ALA 67 3HB ALA 67 -3.698 -8.262 11.948 479 HB2 ALA 67 1HB ALA 67 -4.639 -8.932 10.573 480 HB3 ALA 67 2HB ALA 67 -3.009 -9.585 10.948 481 H GLY 68 H GLY 68 -4.952 -7.177 8.301 482 HA2 GLY 68 2HA GLY 68 -6.026 -4.946 9.809 483 HA3 GLY 68 3HA GLY 68 -5.268 -4.506 8.272 484 H THR 69 H THR 69 -7.931 -3.919 8.450 485 HA THR 69 HA THR 69 -9.136 -6.035 6.812 486 HB THR 69 HB THR 69 -11.333 -5.515 7.861 487 HG1 THR 69 HG1 THR 69 -11.292 -4.245 9.855 488 HG21 THR 69 3HG2 THR 69 -9.153 -6.283 9.863 489 HG22 THR 69 1HG2 THR 69 -10.910 -6.604 10.046 490 HG23 THR 69 2HG2 THR 69 -9.985 -7.393 8.724 491 H TYR 70 H TYR 70 -10.539 -5.278 5.101 492 HA TYR 70 HA TYR 70 -10.114 -2.509 4.359 493 HB2 TYR 70 2HB TYR 70 -11.629 -4.835 3.068 494 HB3 TYR 70 3HB TYR 70 -11.467 -3.230 2.344 495 HD1 TYR 70 HD1 TYR 70 -8.843 -2.368 2.386 496 HD2 TYR 70 HD2 TYR 70 -10.169 -6.452 2.268 497 HE1 TYR 70 HE1 TYR 70 -6.683 -3.038 1.378 498 HE2 TYR 70 HE2 TYR 70 -8.008 -7.126 1.262 499 HH TYR 70 HH TYR 70 -5.432 -5.877 1.415 500 H THR 71 H THR 71 -11.836 -0.962 3.969 501 HA THR 71 HA THR 71 -14.192 -1.556 5.618 502 HB THR 71 HB THR 71 -14.360 0.872 5.996 503 HG1 THR 71 HG1 THR 71 -12.855 2.305 5.090 504 HG21 THR 71 3HG2 THR 71 -11.531 -0.184 6.485 505 HG22 THR 71 1HG2 THR 71 -12.298 1.203 7.330 506 HG23 THR 71 2HG2 THR 71 -12.960 -0.454 7.538 507 H LYS 72 H LYS 72 -12.989 -0.394 2.439 508 HA LYS 72 HA LYS 72 -15.614 -0.488 1.305 509 HB2 LYS 72 2HB LYS 72 -15.615 1.703 2.585 510 HB3 LYS 72 3HB LYS 72 -14.263 2.237 1.577 511 HG2 LYS 72 2HG LYS 72 -15.665 2.051 -0.454 512 HG3 LYS 72 3HG LYS 72 -17.012 1.425 0.506 513 HD2 LYS 72 2HD LYS 72 -16.938 3.583 1.873 514 HD3 LYS 72 3HD LYS 72 -15.736 4.201 0.732 515 HE2 LYS 72 2HE LYS 72 -17.355 3.870 -1.148 516 HE3 LYS 72 3HE LYS 72 -18.557 3.260 -0.004 517 HZ1 LYS 72 3HZ LYS 72 -17.384 5.967 0.044 518 HZ2 LYS 72 1HZ LYS 72 -18.884 5.584 -0.474 519 HZ3 LYS 72 2HZ LYS 72 -18.494 5.403 1.101 520 H VAL 73 H VAL 73 -15.470 -0.751 -0.939 521 HA VAL 73 HA VAL 73 -12.997 0.204 -2.181 522 HB VAL 73 HB VAL 73 -12.746 -1.781 -3.499 523 HG11 VAL 73 1HG1 VAL 73 -12.405 -3.544 -1.797 524 HG12 VAL 73 2HG1 VAL 73 -11.827 -1.942 -1.227 525 HG13 VAL 73 3HG1 VAL 73 -13.387 -2.598 -0.628 526 HG21 VAL 73 3HG2 VAL 73 -15.125 -2.214 -3.947 527 HG22 VAL 73 1HG2 VAL 73 -14.305 -3.701 -3.363 528 HG23 VAL 73 2HG2 VAL 73 -15.358 -2.761 -2.252 529 H VAL 74 H VAL 74 -13.322 1.235 -4.185 530 HA VAL 74 HA VAL 74 -16.084 1.181 -5.177 531 HB VAL 74 HB VAL 74 -14.323 3.649 -4.748 532 HG11 VAL 74 1HG1 VAL 74 -16.282 4.921 -5.571 533 HG12 VAL 74 2HG1 VAL 74 -15.633 3.808 -6.822 534 HG13 VAL 74 3HG1 VAL 74 -17.129 3.378 -5.926 535 HG21 VAL 74 3HG2 VAL 74 -15.329 2.813 -2.666 536 HG22 VAL 74 1HG2 VAL 74 -16.105 4.349 -3.179 537 HG23 VAL 74 2HG2 VAL 74 -16.947 2.785 -3.444 538 H GLU 75 H GLU 75 -16.104 0.621 -7.350 539 HA GLU 75 HA GLU 75 -15.500 0.519 -9.494 540 HB2 GLU 75 2HB GLU 75 -14.540 3.335 -8.797 541 HB3 GLU 75 3HB GLU 75 -14.714 2.719 -10.445 542 HG2 GLU 75 2HG GLU 75 -17.153 2.376 -10.064 543 HG3 GLU 75 3HG GLU 75 -16.983 2.977 -8.410 544 H ASN 76 H ASN 76 -13.510 -0.667 -7.700 545 HA ASN 76 HA ASN 76 -11.331 -1.096 -7.458 546 HB2 ASN 76 2HB ASN 76 -11.511 -1.060 -10.494 547 HB3 ASN 76 3HB ASN 76 -10.242 -1.841 -9.542 548 HD21 ASN 76 1HD2 ASN 76 -13.022 -2.342 -11.189 549 HD22 ASN 76 2HD2 ASN 76 -13.485 -3.862 -10.500 550 H LYS 77 H LYS 77 -11.520 1.629 -6.974 551 HA LYS 77 HA LYS 77 -9.427 2.853 -8.613 552 HB2 LYS 77 2HB LYS 77 -11.552 3.315 -9.785 553 HB3 LYS 77 3HB LYS 77 -12.274 3.918 -8.288 554 HG2 LYS 77 2HG LYS 77 -10.674 5.799 -8.232 555 HG3 LYS 77 3HG LYS 77 -9.850 5.174 -9.667 556 HD2 LYS 77 2HD LYS 77 -11.983 5.411 -10.977 557 HD3 LYS 77 3HD LYS 77 -12.777 6.075 -9.543 558 HE2 LYS 77 2HE LYS 77 -11.133 7.951 -9.489 559 HE3 LYS 77 3HE LYS 77 -10.311 7.282 -10.905 560 HZ1 LYS 77 3HZ LYS 77 -13.112 8.209 -10.845 561 HZ2 LYS 77 1HZ LYS 77 -11.854 9.008 -11.513 562 HZ3 LYS 77 2HZ LYS 77 -12.353 7.591 -12.152 563 H ARG 78 H ARG 78 -11.354 2.590 -5.641 564 HA ARG 78 HA ARG 78 -9.167 3.886 -4.290 565 HB2 ARG 78 2HB ARG 78 -10.631 5.393 -2.977 566 HB3 ARG 78 3HB ARG 78 -10.375 5.866 -4.662 567 HG2 ARG 78 2HG ARG 78 -12.603 4.917 -5.253 568 HG3 ARG 78 3HG ARG 78 -12.858 4.486 -3.557 569 HD2 ARG 78 2HD ARG 78 -14.035 6.494 -4.017 570 HD3 ARG 78 3HD ARG 78 -12.683 6.862 -2.938 571 HE ARG 78 HE ARG 78 -11.764 8.207 -4.568 572 HH11 ARG 78 1HH1 ARG 78 -14.246 6.222 -6.066 573 HH12 ARG 78 2HH1 ARG 78 -14.242 7.128 -7.542 574 HH21 ARG 78 1HH2 ARG 78 -11.762 9.352 -6.471 575 HH22 ARG 78 2HH2 ARG 78 -12.816 8.923 -7.777 576 H ILE 79 H ILE 79 -9.039 3.273 -2.039 577 HA ILE 79 HA ILE 79 -11.032 1.402 -1.102 578 HB ILE 79 HB ILE 79 -9.620 -0.014 -2.566 579 HG12 ILE 79 2HG1 ILE 79 -8.922 -0.575 0.349 580 HG13 ILE 79 3HG1 ILE 79 -10.560 -0.773 -0.288 581 HG21 ILE 79 1HG2 ILE 79 -7.234 -0.371 -2.026 582 HG22 ILE 79 2HG2 ILE 79 -7.564 1.327 -2.509 583 HG23 ILE 79 3HG2 ILE 79 -7.328 0.916 -0.777 584 HD11 ILE 79 3HD1 ILE 79 -8.067 -2.213 -1.302 585 HD12 ILE 79 1HD1 ILE 79 -9.356 -2.911 -0.264 586 HD13 ILE 79 2HD1 ILE 79 -9.730 -2.414 -1.949 587 H GLU 80 H GLU 80 -11.036 1.278 1.176 588 HA GLU 80 HA GLU 80 -8.813 2.695 2.505 589 HB2 GLU 80 2HB GLU 80 -10.872 4.065 2.452 590 HB3 GLU 80 3HB GLU 80 -11.804 2.729 3.139 591 HG2 GLU 80 2HG GLU 80 -10.379 2.841 5.212 592 HG3 GLU 80 3HG GLU 80 -9.530 4.232 4.524 593 H TYR 81 H TYR 81 -8.042 1.803 4.468 594 HA TYR 81 HA TYR 81 -9.362 -0.619 5.433 595 HB2 TYR 81 2HB TYR 81 -7.155 -1.817 5.420 596 HB3 TYR 81 3HB TYR 81 -7.835 -1.539 3.811 597 HD1 TYR 81 HD1 TYR 81 -6.848 0.200 2.314 598 HD2 TYR 81 HD2 TYR 81 -5.069 -0.789 6.094 599 HE1 TYR 81 HE1 TYR 81 -4.745 1.297 1.607 600 HE2 TYR 81 HE2 TYR 81 -2.964 0.309 5.395 601 HH TYR 81 HH TYR 81 -2.543 1.543 2.073 602 H ALA 82 H ALA 82 -8.533 -1.290 7.596 603 HA ALA 82 HA ALA 82 -7.358 1.034 8.993 604 HB1 ALA 82 3HB ALA 82 -9.467 -0.971 9.937 605 HB2 ALA 82 1HB ALA 82 -8.739 0.333 10.935 606 HB3 ALA 82 2HB ALA 82 -9.750 0.751 9.510 607 H PHE 83 H PHE 83 -5.657 0.658 10.422 608 HA PHE 83 HA PHE 83 -4.853 -2.164 10.711 609 HB2 PHE 83 2HB PHE 83 -3.554 -1.014 8.902 610 HB3 PHE 83 3HB PHE 83 -3.054 0.222 10.064 611 HD1 PHE 83 HD1 PHE 83 -2.817 -3.408 9.245 612 HD2 PHE 83 HD2 PHE 83 -1.256 -0.156 11.582 613 HE1 PHE 83 HE1 PHE 83 -0.889 -4.810 9.913 614 HE2 PHE 83 HE2 PHE 83 0.673 -1.560 12.243 615 HZ PHE 83 HZ PHE 83 0.857 -3.891 11.412 616 H GLY 84 H GLY 84 -5.113 -2.573 12.892 617 HA2 GLY 84 2HA GLY 84 -4.774 -2.390 15.104 618 HA3 GLY 84 3HA GLY 84 -3.499 -1.212 14.767 619 H ASP 85 H ASP 85 -3.835 0.745 15.766 620 HA ASP 85 HA ASP 85 -6.626 1.570 16.185 621 HB2 ASP 85 2HB ASP 85 -5.681 3.120 17.844 622 HB3 ASP 85 3HB ASP 85 -5.229 1.447 18.197 623 H ARG 86 H ARG 86 -4.642 1.799 13.661 624 HA ARG 86 HA ARG 86 -5.209 4.665 13.284 625 HB2 ARG 86 2HB ARG 86 -2.796 3.079 12.389 626 HB3 ARG 86 3HB ARG 86 -3.248 4.644 11.700 627 HG2 ARG 86 2HG ARG 86 -3.136 5.629 14.024 628 HG3 ARG 86 3HG ARG 86 -2.532 4.073 14.607 629 HD2 ARG 86 2HD ARG 86 -1.203 5.705 12.439 630 HD3 ARG 86 3HD ARG 86 -0.812 5.835 14.159 631 HE ARG 86 HE ARG 86 0.069 3.596 14.094 632 HH11 ARG 86 1HH1 ARG 86 -0.822 4.839 10.930 633 HH12 ARG 86 2HH1 ARG 86 0.210 3.738 10.080 634 HH21 ARG 86 1HH2 ARG 86 1.377 2.182 12.992 635 HH22 ARG 86 2HH2 ARG 86 1.472 2.211 11.263 636 H THR 87 H THR 87 -5.326 5.233 10.825 637 HA THR 87 HA THR 87 -6.496 2.976 9.368 638 HB THR 87 HB THR 87 -8.294 4.467 8.537 639 HG1 THR 87 HG1 THR 87 -8.571 6.546 9.626 640 HG21 THR 87 3HG2 THR 87 -8.109 4.389 11.590 641 HG22 THR 87 1HG2 THR 87 -9.608 4.634 10.633 642 HG23 THR 87 2HG2 THR 87 -8.723 3.075 10.531 643 H ALA 88 H ALA 88 -6.542 3.327 6.963 644 HA ALA 88 HA ALA 88 -5.051 5.637 6.005 645 HB1 ALA 88 3HB ALA 88 -4.198 2.748 5.480 646 HB2 ALA 88 1HB ALA 88 -3.532 4.202 4.664 647 HB3 ALA 88 2HB ALA 88 -3.287 3.971 6.428 648 H LYS 89 H LYS 89 -5.492 6.138 3.783 649 HA LYS 89 HA LYS 89 -7.389 4.359 2.434 650 HB2 LYS 89 2HB LYS 89 -8.714 6.029 3.730 651 HB3 LYS 89 3HB LYS 89 -7.830 7.341 2.940 652 HG2 LYS 89 2HG LYS 89 -8.754 6.724 0.754 653 HG3 LYS 89 3HG LYS 89 -9.516 5.281 1.435 654 HD2 LYS 89 2HD LYS 89 -10.920 6.718 2.924 655 HD3 LYS 89 3HD LYS 89 -10.151 8.165 2.260 656 HE2 LYS 89 2HE LYS 89 -10.992 7.583 -0.015 657 HE3 LYS 89 3HE LYS 89 -11.736 6.112 0.627 658 HZ1 LYS 89 3HZ LYS 89 -12.434 8.863 1.435 659 HZ2 LYS 89 1HZ LYS 89 -13.318 7.901 0.455 660 HZ3 LYS 89 2HZ LYS 89 -13.121 7.506 2.027 661 H VAL 90 H VAL 90 -7.046 4.254 0.220 662 HA VAL 90 HA VAL 90 -5.100 6.195 -0.827 663 HB VAL 90 HB VAL 90 -4.036 4.001 -0.560 664 HG11 VAL 90 1HG1 VAL 90 -4.893 2.006 -1.748 665 HG12 VAL 90 2HG1 VAL 90 -6.060 2.608 -0.523 666 HG13 VAL 90 3HG1 VAL 90 -6.337 2.941 -2.266 667 HG21 VAL 90 3HG2 VAL 90 -3.439 5.329 -2.541 668 HG22 VAL 90 1HG2 VAL 90 -3.385 3.572 -2.909 669 HG23 VAL 90 2HG2 VAL 90 -4.772 4.564 -3.470 670 H GLU 91 H GLU 91 -5.533 7.081 -2.893 671 HA GLU 91 HA GLU 91 -7.930 6.027 -4.251 672 HB2 GLU 91 2HB GLU 91 -8.463 8.139 -3.072 673 HB3 GLU 91 3HB GLU 91 -7.094 8.941 -3.853 674 HG2 GLU 91 2HG GLU 91 -8.148 8.671 -6.067 675 HG3 GLU 91 3HG GLU 91 -9.481 7.754 -5.353 676 H PHE 92 H PHE 92 -7.859 6.032 -6.561 677 HA PHE 92 HA PHE 92 -5.134 6.488 -7.607 678 HB2 PHE 92 2HB PHE 92 -7.176 4.345 -8.375 679 HB3 PHE 92 3HB PHE 92 -5.598 4.585 -9.137 680 HD1 PHE 92 HD1 PHE 92 -7.302 3.603 -5.976 681 HD2 PHE 92 HD2 PHE 92 -3.594 3.743 -8.141 682 HE1 PHE 92 HE1 PHE 92 -6.265 2.107 -4.298 683 HE2 PHE 92 HE2 PHE 92 -2.559 2.242 -6.467 684 HZ PHE 92 HZ PHE 92 -3.895 1.421 -4.540 685 H LEU 93 H LEU 93 -5.002 7.972 -9.250 686 HA LEU 93 HA LEU 93 -7.589 8.823 -10.393 687 HB2 LEU 93 2HB LEU 93 -5.043 10.431 -9.860 688 HB3 LEU 93 3HB LEU 93 -6.535 11.059 -10.572 689 HG LEU 93 HG LEU 93 -6.293 9.932 -7.731 690 HD11 LEU 93 1HD1 LEU 93 -6.519 12.286 -7.031 691 HD12 LEU 93 2HD1 LEU 93 -5.041 12.032 -8.019 692 HD13 LEU 93 3HD1 LEU 93 -6.489 12.804 -8.750 693 HD21 LEU 93 3HD2 LEU 93 -8.529 9.644 -8.737 694 HD22 LEU 93 1HD2 LEU 93 -8.552 10.901 -7.454 695 HD23 LEU 93 2HD2 LEU 93 -8.558 11.383 -9.184 696 H GLU 94 H GLU 94 -7.825 8.765 -12.601 697 HA GLU 94 HA GLU 94 -5.643 7.705 -14.148 698 HB2 GLU 94 2HB GLU 94 -8.032 7.049 -14.472 699 HB3 GLU 94 3HB GLU 94 -8.418 8.708 -14.947 700 HG2 GLU 94 2HG GLU 94 -6.877 8.508 -16.901 701 HG3 GLU 94 3HG GLU 94 -6.489 6.849 -16.425 702 H ALA 95 H ALA 95 -4.005 8.968 -14.939 703 HA ALA 95 HA ALA 95 -4.719 11.710 -15.753 704 HB1 ALA 95 3HB ALA 95 -2.020 10.427 -15.102 705 HB2 ALA 95 1HB ALA 95 -2.274 12.126 -15.627 706 HB3 ALA 95 2HB ALA 95 -2.940 11.561 -14.057 707 HA PRO 96 HA PRO 96 -3.965 10.756 -20.008 708 HB2 PRO 96 2HB PRO 96 -2.551 13.016 -20.828 709 HB3 PRO 96 3HB PRO 96 -4.287 13.083 -20.494 710 HG2 PRO 96 2HG PRO 96 -1.966 13.842 -18.685 711 HG3 PRO 96 3HG PRO 96 -3.467 14.726 -18.993 712 HD2 PRO 96 2HD PRO 96 -3.193 13.228 -16.747 713 HD3 PRO 96 3HD PRO 96 -4.752 13.310 -17.579 714 H GLN 97 H GLN 97 -1.162 11.486 -17.932 715 HA GLN 97 HA GLN 97 0.544 10.260 -19.986 716 HB2 GLN 97 2HB GLN 97 1.195 11.889 -17.477 717 HB3 GLN 97 3HB GLN 97 2.400 11.193 -18.569 718 HG2 GLN 97 2HG GLN 97 1.506 12.582 -20.436 719 HG3 GLN 97 3HG GLN 97 0.310 13.283 -19.339 720 HE21 GLN 97 1HE2 GLN 97 1.502 15.264 -20.207 721 HE22 GLN 97 2HE2 GLN 97 2.855 15.831 -19.286 722 H GLY 98 H GLY 98 -1.188 9.474 -17.105 723 HA2 GLY 98 2HA GLY 98 -0.122 6.917 -16.869 724 HA3 GLY 98 3HA GLY 98 0.784 7.951 -15.757 725 H VAL 99 H VAL 99 -0.294 6.380 -14.128 726 HA VAL 99 HA VAL 99 -2.856 7.606 -13.369 727 HB VAL 99 HB VAL 99 -1.791 4.783 -12.856 728 HG11 VAL 99 1HG1 VAL 99 -3.900 4.396 -11.617 729 HG12 VAL 99 2HG1 VAL 99 -2.884 5.652 -10.832 730 HG13 VAL 99 3HG1 VAL 99 -4.320 6.133 -11.799 731 HG21 VAL 99 3HG2 VAL 99 -2.779 5.121 -15.082 732 HG22 VAL 99 1HG2 VAL 99 -3.840 4.091 -14.062 733 HG23 VAL 99 2HG2 VAL 99 -4.257 5.816 -14.335 734 H THR 100 H THR 100 -2.941 8.602 -11.347 735 HA THR 100 HA THR 100 -0.391 8.638 -9.927 736 HB THR 100 HB THR 100 -2.833 10.483 -9.838 737 HG1 THR 100 HG1 THR 100 -0.099 10.933 -10.736 738 HG21 THR 100 3HG2 THR 100 -0.153 10.685 -8.379 739 HG22 THR 100 1HG2 THR 100 -1.437 11.940 -8.398 740 HG23 THR 100 2HG2 THR 100 -1.748 10.349 -7.625 741 H VAL 101 H VAL 101 -0.162 7.759 -7.877 742 HA VAL 101 HA VAL 101 -2.629 6.727 -6.666 743 HB VAL 101 HB VAL 101 0.293 5.895 -6.261 744 HG11 VAL 101 1HG1 VAL 101 -0.653 4.000 -4.989 745 HG12 VAL 101 2HG1 VAL 101 -1.051 5.581 -4.233 746 HG13 VAL 101 3HG1 VAL 101 -2.297 4.698 -5.179 747 HG21 VAL 101 3HG2 VAL 101 -0.557 5.275 -8.480 748 HG22 VAL 101 1HG2 VAL 101 -0.370 3.824 -7.438 749 HG23 VAL 101 2HG2 VAL 101 -2.002 4.517 -7.729 750 H ARG 102 H ARG 102 -3.366 7.783 -4.851 751 HA ARG 102 HA ARG 102 -1.364 9.317 -3.329 752 HB2 ARG 102 2HB ARG 102 -2.818 10.844 -4.428 753 HB3 ARG 102 3HB ARG 102 -4.258 9.947 -3.928 754 HG2 ARG 102 2HG ARG 102 -3.781 10.506 -1.556 755 HG3 ARG 102 3HG ARG 102 -2.341 11.402 -2.056 756 HD2 ARG 102 2HD ARG 102 -5.174 12.039 -2.906 757 HD3 ARG 102 3HD ARG 102 -4.315 12.808 -1.564 758 HE ARG 102 HE ARG 102 -2.684 13.152 -3.796 759 HH11 ARG 102 1HH1 ARG 102 -5.977 14.019 -2.930 760 HH12 ARG 102 2HH1 ARG 102 -5.965 15.472 -3.874 761 HH21 ARG 102 1HH2 ARG 102 -2.687 15.009 -5.011 762 HH22 ARG 102 2HH2 ARG 102 -4.077 16.041 -5.070 763 H VAL 103 H VAL 103 -1.020 8.651 -1.253 764 HA VAL 103 HA VAL 103 -3.159 7.034 -0.047 765 HB VAL 103 HB VAL 103 -0.128 6.867 0.354 766 HG11 VAL 103 1HG1 VAL 103 -0.642 4.926 1.805 767 HG12 VAL 103 2HG1 VAL 103 -1.348 6.446 2.449 768 HG13 VAL 103 3HG1 VAL 103 -2.397 5.253 1.613 769 HG21 VAL 103 3HG2 VAL 103 -0.879 5.891 -1.774 770 HG22 VAL 103 1HG2 VAL 103 -0.371 4.607 -0.625 771 HG23 VAL 103 2HG2 VAL 103 -2.117 4.921 -0.906 772 H SER 104 H SER 104 -4.125 8.013 1.708 773 HA SER 104 HA SER 104 -2.432 9.831 3.309 774 HB2 SER 104 2HB SER 104 -5.449 9.736 2.858 775 HB3 SER 104 3HB SER 104 -4.661 10.746 4.077 776 HG SER 104 HG SER 104 -5.060 11.888 2.103 777 H PHE 105 H PHE 105 -2.007 9.261 5.416 778 HA PHE 105 HA PHE 105 -3.598 7.091 6.577 779 HB2 PHE 105 2HB PHE 105 -1.550 5.839 7.132 780 HB3 PHE 105 3HB PHE 105 -1.768 5.972 5.382 781 HD1 PHE 105 HD1 PHE 105 -0.307 7.443 4.037 782 HD2 PHE 105 HD2 PHE 105 0.301 6.931 8.258 783 HE1 PHE 105 HE1 PHE 105 1.969 8.389 3.824 784 HE2 PHE 105 HE2 PHE 105 2.576 7.881 8.044 785 HZ PHE 105 HZ PHE 105 3.416 8.610 5.829 786 H VAL 106 H VAL 106 -3.240 6.858 8.943 787 HA VAL 106 HA VAL 106 -2.542 9.351 10.180 788 HB VAL 106 HB VAL 106 -3.278 6.613 11.337 789 HG11 VAL 106 1HG1 VAL 106 -3.655 7.834 13.455 790 HG12 VAL 106 2HG1 VAL 106 -1.941 7.923 12.928 791 HG13 VAL 106 3HG1 VAL 106 -3.025 9.336 12.697 792 HG21 VAL 106 3HG2 VAL 106 -5.087 7.648 10.034 793 HG22 VAL 106 1HG2 VAL 106 -5.467 7.677 11.789 794 HG23 VAL 106 2HG2 VAL 106 -4.905 9.172 10.968 795 H ALA 107 H ALA 107 -0.606 9.886 11.206 796 HA ALA 107 HA ALA 107 1.644 8.243 10.594 797 HB1 ALA 107 3HB ALA 107 1.337 10.751 12.317 798 HB2 ALA 107 1HB ALA 107 2.892 10.033 11.778 799 HB3 ALA 107 2HB ALA 107 1.745 10.703 10.569 800 H GLU 108 H GLU 108 2.938 6.959 11.947 801 HA GLU 108 HA GLU 108 1.674 6.051 14.369 802 HB2 GLU 108 2HB GLU 108 2.810 4.499 12.822 803 HB3 GLU 108 3HB GLU 108 4.332 5.378 13.020 804 HG2 GLU 108 2HG GLU 108 4.375 3.346 14.370 805 HG3 GLU 108 3HG GLU 108 4.383 4.760 15.433 806 H THR 109 H THR 109 2.037 6.816 16.421 807 HA THR 109 HA THR 109 3.604 9.136 16.698 808 HB THR 109 HB THR 109 3.009 8.956 19.109 809 HG1 THR 109 HG1 THR 109 1.685 7.105 19.749 810 HG21 THR 109 3HG2 THR 109 0.710 8.264 17.213 811 HG22 THR 109 1HG2 THR 109 0.546 9.008 18.839 812 HG23 THR 109 2HG2 THR 109 1.374 9.904 17.521 813 H GLU 110 H GLU 110 4.337 5.683 17.025 814 HA GLU 110 HA GLU 110 6.480 6.019 18.885 815 HB2 GLU 110 2HB GLU 110 5.675 3.785 16.963 816 HB3 GLU 110 3HB GLU 110 7.038 3.665 18.084 817 HG2 GLU 110 2HG GLU 110 5.503 3.956 20.012 818 HG3 GLU 110 3HG GLU 110 4.131 4.141 18.911 819 H TYR 111 H TYR 111 6.108 6.659 15.466 820 HA TYR 111 HA TYR 111 9.048 6.744 15.232 821 HB2 TYR 111 2HB TYR 111 6.907 6.023 13.177 822 HB3 TYR 111 3HB TYR 111 8.564 6.449 12.731 823 HD1 TYR 111 HD1 TYR 111 6.418 3.906 14.338 824 HD2 TYR 111 HD2 TYR 111 10.429 4.935 13.209 825 HE1 TYR 111 HE1 TYR 111 7.117 1.560 14.705 826 HE2 TYR 111 HE2 TYR 111 11.134 2.588 13.568 827 HH TYR 111 HH TYR 111 10.533 0.549 14.157 828 HA PRO 112 HA PRO 112 8.726 11.076 14.336 829 HB2 PRO 112 2HB PRO 112 10.668 10.451 12.071 830 HB3 PRO 112 3HB PRO 112 10.845 11.636 13.372 831 HG2 PRO 112 2HG PRO 112 12.256 9.376 13.466 832 HG3 PRO 112 3HG PRO 112 11.530 10.005 14.950 833 HD2 PRO 112 2HD PRO 112 10.572 7.718 13.182 834 HD3 PRO 112 3HD PRO 112 10.604 7.816 14.948 835 H VAL 113 H VAL 113 7.600 12.489 13.073 836 HA VAL 113 HA VAL 113 5.787 11.479 11.262 837 HB VAL 113 HB VAL 113 6.954 14.282 11.613 838 HG11 VAL 113 1HG1 VAL 113 5.014 15.095 10.308 839 HG12 VAL 113 2HG1 VAL 113 6.093 14.052 9.322 840 HG13 VAL 113 3HG1 VAL 113 4.545 13.398 9.956 841 HG21 VAL 113 3HG2 VAL 113 5.707 13.399 13.538 842 HG22 VAL 113 1HG2 VAL 113 4.792 14.720 12.736 843 HG23 VAL 113 2HG2 VAL 113 4.315 13.008 12.473 844 H GLU 114 H GLU 114 9.048 13.007 10.668 845 HA GLU 114 HA GLU 114 8.847 12.970 7.863 846 HB2 GLU 114 2HB GLU 114 11.207 12.927 9.799 847 HB3 GLU 114 3HB GLU 114 11.402 13.035 8.044 848 HG2 GLU 114 2HG GLU 114 10.162 15.163 7.994 849 HG3 GLU 114 3HG GLU 114 9.815 15.039 9.724 850 H GLN 115 H GLN 115 9.865 10.473 10.271 851 HA GLN 115 HA GLN 115 11.097 8.761 8.416 852 HB2 GLN 115 2HB GLN 115 11.350 8.654 10.901 853 HB3 GLN 115 3HB GLN 115 9.661 8.151 11.049 854 HG2 GLN 115 2HG GLN 115 11.085 6.200 11.233 855 HG3 GLN 115 3HG GLN 115 10.162 6.095 9.729 856 HE21 GLN 115 1HE2 GLN 115 11.449 5.018 8.341 857 HE22 GLN 115 2HE2 GLN 115 13.086 5.432 7.955 858 H GLN 116 H GLN 116 7.658 9.053 9.565 859 HA GLN 116 HA GLN 116 6.787 6.761 8.127 860 HB2 GLN 116 2HB GLN 116 5.395 9.190 9.342 861 HB3 GLN 116 3HB GLN 116 4.506 7.922 8.488 862 HG2 GLN 116 2HG GLN 116 6.274 7.473 10.936 863 HG3 GLN 116 3HG GLN 116 4.514 7.642 10.970 864 HE21 GLN 116 1HE2 GLN 116 6.907 5.419 11.107 865 HE22 GLN 116 2HE2 GLN 116 6.106 4.038 10.435 866 H GLN 117 H GLN 117 6.900 10.328 7.406 867 HA GLN 117 HA GLN 117 5.413 10.262 5.064 868 HB2 GLN 117 2HB GLN 117 6.138 12.316 6.255 869 HB3 GLN 117 3HB GLN 117 7.824 11.983 5.837 870 HG2 GLN 117 2HG GLN 117 7.267 12.206 3.419 871 HG3 GLN 117 3HG GLN 117 5.582 12.543 3.839 872 HE21 GLN 117 1HE2 GLN 117 6.393 14.487 2.442 873 HE22 GLN 117 2HE2 GLN 117 6.944 15.865 3.334 874 H GLN 118 H GLN 118 9.012 9.811 5.537 875 HA GLN 118 HA GLN 118 9.457 9.538 2.736 876 HB2 GLN 118 2HB GLN 118 11.111 8.913 5.229 877 HB3 GLN 118 3HB GLN 118 11.719 8.665 3.588 878 HG2 GLN 118 2HG GLN 118 11.446 11.066 3.091 879 HG3 GLN 118 3HG GLN 118 10.748 11.340 4.692 880 HE21 GLN 118 1HE2 GLN 118 12.824 12.881 4.176 881 HE22 GLN 118 2HE2 GLN 118 14.270 12.352 4.969 882 H GLY 119 H GLY 119 8.939 7.219 5.488 883 HA2 GLY 119 2HA GLY 119 9.839 4.940 4.105 884 HA3 GLY 119 3HA GLY 119 8.783 4.984 5.522 885 H TRP 120 H TRP 120 6.497 6.371 4.498 886 HA TRP 120 HA TRP 120 5.247 4.237 3.101 887 HB2 TRP 120 2HB TRP 120 4.474 7.033 3.997 888 HB3 TRP 120 3HB TRP 120 3.410 6.126 2.913 889 HD1 TRP 120 HD1 TRP 120 5.031 5.777 6.451 890 HE1 TRP 120 HE1 TRP 120 3.478 4.303 7.903 891 HE3 TRP 120 HE3 TRP 120 1.568 4.494 2.877 892 HZ2 TRP 120 HZ2 TRP 120 1.117 2.806 7.589 893 HZ3 TRP 120 HZ3 TRP 120 -0.331 3.023 3.532 894 HH2 TRP 120 HH2 TRP 120 -0.558 2.201 5.826 895 H GLN 121 H GLN 121 6.574 7.471 2.116 896 HA GLN 121 HA GLN 121 5.704 7.345 -0.551 897 HB2 GLN 121 2HB GLN 121 6.639 9.363 0.576 898 HB3 GLN 121 3HB GLN 121 8.220 8.578 0.682 899 HG2 GLN 121 2HG GLN 121 8.266 10.107 -1.180 900 HG3 GLN 121 3HG GLN 121 8.299 8.461 -1.825 901 HE21 GLN 121 1HE2 GLN 121 7.161 8.371 -3.660 902 HE22 GLN 121 2HE2 GLN 121 5.622 9.111 -3.948 903 H ALA 122 H ALA 122 8.605 5.951 1.138 904 HA ALA 122 HA ALA 122 9.934 5.153 -1.208 905 HB1 ALA 122 3HB ALA 122 9.962 3.997 1.625 906 HB2 ALA 122 1HB ALA 122 11.167 3.650 0.339 907 HB3 ALA 122 2HB ALA 122 11.015 5.312 1.002 908 H ILE 123 H ILE 123 7.325 3.599 0.753 909 HA ILE 123 HA ILE 123 7.489 1.092 -0.458 910 HB ILE 123 HB ILE 123 5.170 2.645 0.789 911 HG12 ILE 123 2HG1 ILE 123 6.726 0.226 1.807 912 HG13 ILE 123 3HG1 ILE 123 7.168 1.895 2.188 913 HG21 ILE 123 1HG2 ILE 123 3.938 0.503 0.842 914 HG22 ILE 123 2HG2 ILE 123 4.261 1.048 -0.839 915 HG23 ILE 123 3HG2 ILE 123 5.246 -0.268 -0.117 916 HD11 ILE 123 3HD1 ILE 123 4.509 0.557 2.861 917 HD12 ILE 123 1HD1 ILE 123 5.855 0.892 4.002 918 HD13 ILE 123 2HD1 ILE 123 4.957 2.253 3.248 919 H LEU 124 H LEU 124 5.569 4.070 -1.348 920 HA LEU 124 HA LEU 124 4.361 2.857 -3.614 921 HB2 LEU 124 2HB LEU 124 4.871 5.752 -2.781 922 HB3 LEU 124 3HB LEU 124 3.967 5.305 -4.234 923 HG LEU 124 HG LEU 124 3.187 4.547 -1.367 924 HD11 LEU 124 1HD1 LEU 124 1.354 6.164 -1.704 925 HD12 LEU 124 2HD1 LEU 124 2.961 6.957 -1.821 926 HD13 LEU 124 3HD1 LEU 124 2.027 6.596 -3.312 927 HD21 LEU 124 3HD2 LEU 124 2.497 2.875 -3.048 928 HD22 LEU 124 1HD2 LEU 124 1.082 3.790 -2.425 929 HD23 LEU 124 2HD2 LEU 124 1.757 4.174 -4.044 930 H ASN 125 H ASN 125 7.472 4.600 -3.058 931 HA ASN 125 HA ASN 125 8.076 4.980 -5.779 932 HB2 ASN 125 2HB ASN 125 9.795 4.730 -3.289 933 HB3 ASN 125 3HB ASN 125 10.462 5.062 -4.893 934 HD21 ASN 125 1HD2 ASN 125 10.904 6.806 -2.910 935 HD22 ASN 125 2HD2 ASN 125 10.066 8.286 -3.237 936 H ASN 126 H ASN 126 8.701 2.229 -3.479 937 HA ASN 126 HA ASN 126 10.131 0.701 -5.382 938 HB2 ASN 126 2HB ASN 126 8.629 0.030 -2.834 939 HB3 ASN 126 3HB ASN 126 9.406 -1.211 -3.826 940 HD21 ASN 126 1HD2 ASN 126 10.104 -0.785 -1.216 941 HD22 ASN 126 2HD2 ASN 126 11.746 -0.235 -1.168 942 H PHE 127 H PHE 127 6.618 1.055 -4.568 943 HA PHE 127 HA PHE 127 5.659 -0.996 -6.200 944 HB2 PHE 127 2HB PHE 127 4.341 0.354 -4.546 945 HB3 PHE 127 3HB PHE 127 4.460 1.757 -5.616 946 HD1 PHE 127 HD1 PHE 127 4.255 -1.102 -7.666 947 HD2 PHE 127 HD2 PHE 127 1.848 1.419 -5.154 948 HE1 PHE 127 HE1 PHE 127 2.222 -1.843 -8.868 949 HE2 PHE 127 HE2 PHE 127 -0.185 0.672 -6.353 950 HZ PHE 127 HZ PHE 127 -0.001 -0.960 -8.214 951 H LYS 128 H LYS 128 6.577 2.439 -6.992 952 HA LYS 128 HA LYS 128 5.813 2.346 -9.681 953 HB2 LYS 128 2HB LYS 128 6.409 4.401 -8.433 954 HB3 LYS 128 3HB LYS 128 8.083 3.849 -8.294 955 HG2 LYS 128 2HG LYS 128 8.387 3.989 -10.728 956 HG3 LYS 128 3HG LYS 128 6.678 4.380 -10.958 957 HD2 LYS 128 2HD LYS 128 6.999 6.458 -9.555 958 HD3 LYS 128 3HD LYS 128 8.721 6.077 -9.428 959 HE2 LYS 128 2HE LYS 128 7.343 6.320 -12.139 960 HE3 LYS 128 3HE LYS 128 7.952 7.744 -11.286 961 HZ1 LYS 128 3HZ LYS 128 9.550 5.410 -12.119 962 HZ2 LYS 128 1HZ LYS 128 9.603 6.908 -12.765 963 HZ3 LYS 128 2HZ LYS 128 10.133 6.657 -11.241 964 H ARG 129 H ARG 129 8.965 1.450 -8.064 965 HA ARG 129 HA ARG 129 10.335 0.758 -10.367 966 HB2 ARG 129 2HB ARG 129 11.387 0.952 -8.192 967 HB3 ARG 129 3HB ARG 129 10.482 -0.444 -7.589 968 HG2 ARG 129 2HG ARG 129 11.603 -1.808 -9.453 969 HG3 ARG 129 3HG ARG 129 12.652 -0.410 -9.721 970 HD2 ARG 129 2HD ARG 129 13.831 -1.895 -8.338 971 HD3 ARG 129 3HD ARG 129 13.332 -0.533 -7.326 972 HE ARG 129 HE ARG 129 12.042 -1.966 -6.060 973 HH11 ARG 129 1HH1 ARG 129 12.892 -3.616 -9.045 974 HH12 ARG 129 2HH1 ARG 129 12.338 -5.158 -8.485 975 HH21 ARG 129 1HH2 ARG 129 11.322 -3.945 -5.361 976 HH22 ARG 129 2HH2 ARG 129 11.436 -5.348 -6.370 977 H HIS 130 H HIS 130 7.935 -1.163 -8.434 978 HA HIS 130 HA HIS 130 8.366 -3.572 -9.823 979 HB2 HIS 130 2HB HIS 130 7.174 -3.212 -7.590 980 HB3 HIS 130 3HB HIS 130 5.792 -2.589 -8.500 981 HD2 HIS 130 HD2 HIS 130 3.981 -4.549 -9.074 982 HE1 HIS 130 HE1 HIS 130 6.646 -7.896 -8.922 983 H VAL 131 H VAL 131 6.058 -0.802 -10.372 984 HA VAL 131 HA VAL 131 4.761 -1.932 -12.559 985 HB VAL 131 HB VAL 131 5.405 0.964 -11.822 986 HG11 VAL 131 1HG1 VAL 131 3.669 1.614 -13.462 987 HG12 VAL 131 2HG1 VAL 131 5.067 0.808 -14.251 988 HG13 VAL 131 3HG1 VAL 131 3.537 -0.097 -13.993 989 HG21 VAL 131 3HG2 VAL 131 3.940 -0.229 -10.251 990 HG22 VAL 131 1HG2 VAL 131 3.021 1.017 -11.160 991 HG23 VAL 131 2HG2 VAL 131 2.864 -0.716 -11.603 992 H GLU 132 H GLU 132 7.872 -0.070 -12.315 993 HA GLU 132 HA GLU 132 8.251 0.221 -15.088 994 HB2 GLU 132 2HB GLU 132 10.133 0.137 -12.691 995 HB3 GLU 132 3HB GLU 132 10.707 0.419 -14.340 996 HG2 GLU 132 2HG GLU 132 9.418 2.474 -14.522 997 HG3 GLU 132 3HG GLU 132 8.575 2.149 -13.001 998 H SER 133 H SER 133 8.837 -2.511 -12.829 999 HA SER 133 HA SER 133 10.524 -3.932 -14.658 1000 HB2 SER 133 2HB SER 133 10.413 -5.681 -13.048 1001 HB3 SER 133 3HB SER 133 10.466 -4.168 -12.134 1002 HG SER 133 HG SER 133 7.935 -4.469 -12.403 1003 H HIS 134 H HIS 134 7.100 -3.299 -14.523 1004 HA HIS 134 HA HIS 134 6.500 -5.727 -16.037 1005 HB2 HIS 134 2HB HIS 134 4.794 -3.461 -14.905 1006 HB3 HIS 134 3HB HIS 134 4.145 -4.730 -15.952 1007 HD2 HIS 134 HD2 HIS 134 4.461 -4.100 -12.276 1008 HE1 HIS 134 HE1 HIS 134 4.535 -8.362 -12.670 1009 H LEU 135 H LEU 135 8.092 -3.019 -16.869 1010 HA LEU 135 HA LEU 135 6.582 -2.407 -19.275 1011 HB2 LEU 135 2HB LEU 135 9.388 -1.602 -18.363 1012 HB3 LEU 135 3HB LEU 135 8.521 -0.939 -19.754 1013 HG LEU 135 HG LEU 135 7.634 -0.667 -16.832 1014 HD11 LEU 135 1HD1 LEU 135 8.276 1.699 -17.117 1015 HD12 LEU 135 2HD1 LEU 135 9.682 0.604 -17.337 1016 HD13 LEU 135 3HD1 LEU 135 8.883 1.338 -18.768 1017 HD21 LEU 135 3HD2 LEU 135 5.753 -0.718 -18.429 1018 HD22 LEU 135 1HD2 LEU 135 5.990 0.931 -17.758 1019 HD23 LEU 135 2HD2 LEU 135 6.553 0.549 -19.420 1020 H GLU 136 H GLU 136 9.031 -2.136 -20.961 1021 HA GLU 136 HA GLU 136 8.841 -4.707 -22.146 1022 HB2 GLU 136 2HB GLU 136 9.197 -2.477 -23.312 1023 HB3 GLU 136 3HB GLU 136 10.849 -2.469 -22.681 1024 HG2 GLU 136 2HG GLU 136 11.373 -4.536 -23.921 1025 HG3 GLU 136 3HG GLU 136 9.700 -4.656 -24.483 1026 H HIS 137 H HIS 137 9.544 -6.094 -20.283 1027 HA HIS 137 HA HIS 137 12.153 -5.878 -19.235 1028 HB2 HIS 137 2HB HIS 137 10.149 -7.101 -18.238 1029 HB3 HIS 137 3HB HIS 137 10.386 -8.363 -19.453 1030 HD2 HIS 137 HD2 HIS 137 11.764 -7.322 -15.998 1031 HE1 HIS 137 HE1 HIS 137 14.275 -10.460 -17.472 1032 H HIS 138 H HIS 138 14.128 -6.741 -19.889 1033 HA HIS 138 HA HIS 138 14.063 -8.212 -22.444 1034 HB2 HIS 138 2HB HIS 138 16.240 -6.458 -21.201 1035 HB3 HIS 138 3HB HIS 138 16.411 -7.374 -22.704 1036 HD2 HIS 138 HD2 HIS 138 14.953 -4.000 -21.452 1037 HE1 HIS 138 HE1 HIS 138 13.929 -4.398 -25.590 Start of MODEL 19 1 H1 MET 1 1H MET 1 -1.119 13.872 14.329 2 H2 MET 1 2H MET 1 -2.231 13.072 13.440 3 H3 MET 1 3H MET 1 -0.940 12.275 14.043 4 HA MET 1 HA MET 1 -0.746 14.472 12.141 5 HB2 MET 1 2HB MET 1 1.222 12.338 13.094 6 HB3 MET 1 3HB MET 1 1.533 13.464 11.767 7 HG2 MET 1 2HG MET 1 0.983 14.265 14.664 8 HG3 MET 1 3HG MET 1 2.583 14.163 13.918 9 HE1 MET 1 3HE MET 1 2.139 15.560 10.912 10 HE2 MET 1 1HE MET 1 2.793 17.119 11.519 11 HE3 MET 1 2HE MET 1 3.471 15.566 12.116 12 H ASN 2 H ASN 2 -1.775 14.022 10.228 13 HA ASN 2 HA ASN 2 -1.779 11.243 9.317 14 HB2 ASN 2 2HB ASN 2 -3.158 13.747 8.277 15 HB3 ASN 2 3HB ASN 2 -3.236 12.165 7.492 16 HD21 ASN 2 1HD2 ASN 2 -4.806 14.210 9.489 17 HD22 ASN 2 2HD2 ASN 2 -5.864 13.085 10.273 18 H ILE 3 H ILE 3 -0.400 10.506 7.725 19 HA ILE 3 HA ILE 3 1.224 12.563 6.402 20 HB ILE 3 HB ILE 3 1.770 9.592 6.909 21 HG12 ILE 3 2HG1 ILE 3 3.180 12.064 8.017 22 HG13 ILE 3 3HG1 ILE 3 1.906 11.193 8.881 23 HG21 ILE 3 1HG2 ILE 3 4.013 10.058 5.977 24 HG22 ILE 3 2HG2 ILE 3 2.717 10.328 4.764 25 HG23 ILE 3 3HG2 ILE 3 3.495 11.729 5.574 26 HD11 ILE 3 3HD1 ILE 3 4.574 10.015 7.980 27 HD12 ILE 3 1HD1 ILE 3 4.131 10.499 9.652 28 HD13 ILE 3 2HD1 ILE 3 3.281 9.131 8.857 29 H THR 4 H THR 4 1.184 12.734 4.153 30 HA THR 4 HA THR 4 -0.369 10.659 2.764 31 HB THR 4 HB THR 4 -0.102 13.648 2.148 32 HG1 THR 4 HG1 THR 4 -2.505 12.132 2.709 33 HG21 THR 4 3HG2 THR 4 -1.641 11.443 0.691 34 HG22 THR 4 1HG2 THR 4 -1.716 13.200 0.322 35 HG23 THR 4 2HG2 THR 4 -0.182 12.297 0.085 36 H VAL 5 H VAL 5 0.621 9.637 1.013 37 HA VAL 5 HA VAL 5 3.000 10.951 -0.080 38 HB VAL 5 HB VAL 5 3.980 8.612 -0.359 39 HG11 VAL 5 1HG1 VAL 5 4.830 8.499 1.964 40 HG12 VAL 5 2HG1 VAL 5 4.805 10.184 1.342 41 HG13 VAL 5 3HG1 VAL 5 3.536 9.630 2.487 42 HG21 VAL 5 3HG2 VAL 5 1.911 7.329 -0.014 43 HG22 VAL 5 1HG2 VAL 5 3.164 6.856 1.183 44 HG23 VAL 5 2HG2 VAL 5 1.809 7.926 1.677 45 H GLU 6 H GLU 6 3.494 10.288 -2.356 46 HA GLU 6 HA GLU 6 1.141 9.196 -3.728 47 HB2 GLU 6 2HB GLU 6 2.441 11.914 -4.241 48 HB3 GLU 6 3HB GLU 6 1.306 11.128 -5.346 49 HG2 GLU 6 2HG GLU 6 -0.454 11.180 -3.580 50 HG3 GLU 6 3HG GLU 6 0.681 11.954 -2.467 51 H THR 7 H THR 7 1.642 8.105 -5.679 52 HA THR 7 HA THR 7 4.221 8.742 -6.869 53 HB THR 7 HB THR 7 4.570 6.673 -5.497 54 HG1 THR 7 HG1 THR 7 5.716 5.726 -7.124 55 HG21 THR 7 3HG2 THR 7 2.446 5.499 -7.360 56 HG22 THR 7 1HG2 THR 7 3.448 4.574 -6.191 57 HG23 THR 7 2HG2 THR 7 2.266 5.788 -5.597 58 H THR 8 H THR 8 4.138 8.780 -9.149 59 HA THR 8 HA THR 8 1.539 8.028 -10.282 60 HB THR 8 HB THR 8 3.695 9.962 -11.280 61 HG1 THR 8 HG1 THR 8 1.958 11.517 -10.893 62 HG21 THR 8 3HG2 THR 8 0.980 9.226 -12.479 63 HG22 THR 8 1HG2 THR 8 2.075 10.521 -13.070 64 HG23 THR 8 2HG2 THR 8 2.588 8.802 -13.157 65 H VAL 9 H VAL 9 1.465 6.256 -11.646 66 HA VAL 9 HA VAL 9 4.069 5.288 -12.610 67 HB VAL 9 HB VAL 9 3.167 2.995 -12.387 68 HG11 VAL 9 1HG1 VAL 9 3.150 2.864 -9.915 69 HG12 VAL 9 2HG1 VAL 9 4.438 3.961 -10.518 70 HG13 VAL 9 3HG1 VAL 9 2.927 4.643 -9.827 71 HG21 VAL 9 3HG2 VAL 9 0.782 3.501 -12.705 72 HG22 VAL 9 1HG2 VAL 9 1.045 2.599 -11.174 73 HG23 VAL 9 2HG2 VAL 9 0.744 4.369 -11.133 74 H ALA 10 H ALA 10 4.132 4.374 -14.752 75 HA ALA 10 HA ALA 10 1.949 5.218 -16.463 76 HB1 ALA 10 3HB ALA 10 4.611 3.825 -17.026 77 HB2 ALA 10 1HB ALA 10 3.469 4.443 -18.265 78 HB3 ALA 10 2HB ALA 10 4.284 5.587 -17.146 79 H ALA 11 H ALA 11 0.322 3.701 -15.428 80 HA ALA 11 HA ALA 11 0.230 1.293 -17.014 81 HB1 ALA 11 3HB ALA 11 0.324 1.170 -13.959 82 HB2 ALA 11 1HB ALA 11 -0.094 -0.193 -15.050 83 HB3 ALA 11 2HB ALA 11 1.556 0.515 -15.089 84 HA PRO 12 HA PRO 12 -4.075 2.209 -16.789 85 HB2 PRO 12 2HB PRO 12 -5.129 -0.364 -17.056 86 HB3 PRO 12 3HB PRO 12 -4.413 0.493 -18.427 87 HG2 PRO 12 2HG PRO 12 -3.151 -1.585 -16.606 88 HG3 PRO 12 3HG PRO 12 -3.081 -1.466 -18.369 89 HD2 PRO 12 2HD PRO 12 -1.004 -0.596 -16.857 90 HD3 PRO 12 3HD PRO 12 -1.463 0.280 -18.324 91 H VAL 13 H VAL 13 -5.925 2.229 -15.467 92 HA VAL 13 HA VAL 13 -5.107 2.336 -12.828 93 HB VAL 13 HB VAL 13 -7.894 2.286 -14.082 94 HG11 VAL 13 1HG1 VAL 13 -8.703 3.234 -11.943 95 HG12 VAL 13 2HG1 VAL 13 -8.040 1.578 -11.732 96 HG13 VAL 13 3HG1 VAL 13 -7.071 3.003 -11.229 97 HG21 VAL 13 3HG2 VAL 13 -6.470 4.172 -14.758 98 HG22 VAL 13 1HG2 VAL 13 -7.799 4.727 -13.685 99 HG23 VAL 13 2HG2 VAL 13 -6.134 4.551 -13.035 100 H GLY 14 H GLY 14 -6.911 -0.255 -14.628 101 HA2 GLY 14 2HA GLY 14 -7.832 -1.654 -12.385 102 HA3 GLY 14 3HA GLY 14 -7.570 -2.304 -14.009 103 H LYS 15 H LYS 15 -4.750 -2.038 -14.323 104 HA LYS 15 HA LYS 15 -3.841 -4.232 -12.781 105 HB2 LYS 15 2HB LYS 15 -2.470 -2.201 -14.598 106 HB3 LYS 15 3HB LYS 15 -1.602 -3.532 -13.820 107 HG2 LYS 15 2HG LYS 15 -3.161 -5.159 -14.964 108 HG3 LYS 15 3HG LYS 15 -3.914 -3.798 -15.806 109 HD2 LYS 15 2HD LYS 15 -1.674 -3.185 -16.779 110 HD3 LYS 15 3HD LYS 15 -0.955 -4.584 -15.970 111 HE2 LYS 15 2HE LYS 15 -2.503 -6.102 -17.217 112 HE3 LYS 15 3HE LYS 15 -3.227 -4.704 -18.023 113 HZ1 LYS 15 3HZ LYS 15 -0.398 -5.514 -18.237 114 HZ2 LYS 15 1HZ LYS 15 -1.544 -5.733 -19.379 115 HZ3 LYS 15 2HZ LYS 15 -1.066 -4.224 -18.981 116 H VAL 16 H VAL 16 -3.432 -0.639 -12.504 117 HA VAL 16 HA VAL 16 -1.378 -0.753 -10.606 118 HB VAL 16 HB VAL 16 -3.516 1.344 -11.220 119 HG11 VAL 16 1HG1 VAL 16 -2.120 2.929 -9.928 120 HG12 VAL 16 2HG1 VAL 16 -2.766 1.610 -8.894 121 HG13 VAL 16 3HG1 VAL 16 -1.052 1.574 -9.429 122 HG21 VAL 16 3HG2 VAL 16 -1.916 0.903 -13.033 123 HG22 VAL 16 1HG2 VAL 16 -1.631 2.522 -12.310 124 HG23 VAL 16 2HG2 VAL 16 -0.544 1.152 -11.901 125 H TRP 17 H TRP 17 -5.007 -0.497 -10.245 126 HA TRP 17 HA TRP 17 -4.938 -0.325 -7.428 127 HB2 TRP 17 2HB TRP 17 -6.861 0.366 -8.832 128 HB3 TRP 17 3HB TRP 17 -7.093 -1.302 -9.371 129 HD1 TRP 17 HD1 TRP 17 -7.611 0.976 -6.289 130 HE1 TRP 17 HE1 TRP 17 -9.197 -0.223 -4.635 131 HE3 TRP 17 HE3 TRP 17 -7.870 -3.610 -8.595 132 HZ2 TRP 17 HZ2 TRP 17 -10.398 -2.748 -4.335 133 HZ3 TRP 17 HZ3 TRP 17 -9.267 -5.381 -7.560 134 HH2 TRP 17 HH2 TRP 17 -10.514 -4.955 -5.457 135 H ARG 18 H ARG 18 -5.290 -3.139 -9.723 136 HA ARG 18 HA ARG 18 -5.825 -5.001 -7.681 137 HB2 ARG 18 2HB ARG 18 -4.873 -5.251 -10.532 138 HB3 ARG 18 3HB ARG 18 -5.037 -6.658 -9.472 139 HG2 ARG 18 2HG ARG 18 -7.431 -6.131 -9.123 140 HG3 ARG 18 3HG ARG 18 -7.276 -4.702 -10.152 141 HD2 ARG 18 2HD ARG 18 -6.674 -6.129 -12.053 142 HD3 ARG 18 3HD ARG 18 -6.815 -7.562 -11.026 143 HE ARG 18 HE ARG 18 -9.261 -6.128 -10.922 144 HH11 ARG 18 1HH1 ARG 18 -7.362 -7.985 -13.222 145 HH12 ARG 18 2HH1 ARG 18 -8.751 -8.535 -14.099 146 HH21 ARG 18 1HH2 ARG 18 -11.029 -6.829 -12.062 147 HH22 ARG 18 2HH2 ARG 18 -10.857 -7.871 -13.434 148 H ALA 19 H ALA 19 -2.752 -3.788 -9.151 149 HA ALA 19 HA ALA 19 -1.106 -5.771 -7.999 150 HB1 ALA 19 3HB ALA 19 -0.522 -2.897 -8.866 151 HB2 ALA 19 1HB ALA 19 0.709 -4.158 -8.518 152 HB3 ALA 19 2HB ALA 19 -0.421 -4.363 -9.899 153 H TYR 20 H TYR 20 -2.448 -2.667 -6.756 154 HA TYR 20 HA TYR 20 -0.619 -2.421 -4.616 155 HB2 TYR 20 2HB TYR 20 -2.038 -0.582 -5.551 156 HB3 TYR 20 3HB TYR 20 -3.483 -1.391 -4.932 157 HD1 TYR 20 HD1 TYR 20 -0.273 0.220 -3.877 158 HD2 TYR 20 HD2 TYR 20 -4.179 -1.099 -2.677 159 HE1 TYR 20 HE1 TYR 20 0.004 1.384 -1.709 160 HE2 TYR 20 HE2 TYR 20 -3.907 0.065 -0.508 161 HH TYR 20 HH TYR 20 -1.194 2.236 0.094 162 H THR 21 H THR 21 -3.470 -4.472 -5.135 163 HA THR 21 HA THR 21 -3.468 -5.065 -2.256 164 HB THR 21 HB THR 21 -5.826 -5.844 -2.609 165 HG1 THR 21 HG1 THR 21 -6.847 -5.187 -4.638 166 HG21 THR 21 3HG2 THR 21 -5.273 -2.967 -3.490 167 HG22 THR 21 1HG2 THR 21 -6.830 -3.590 -2.848 168 HG23 THR 21 2HG2 THR 21 -5.375 -3.556 -1.797 169 H THR 22 H THR 22 -1.910 -6.231 -4.778 170 HA THR 22 HA THR 22 -2.709 -9.005 -4.343 171 HB THR 22 HB THR 22 -0.644 -7.727 -6.210 172 HG1 THR 22 HG1 THR 22 -2.702 -7.368 -7.029 173 HG21 THR 22 3HG2 THR 22 -1.545 -10.637 -5.941 174 HG22 THR 22 1HG2 THR 22 -0.454 -9.986 -7.211 175 HG23 THR 22 2HG2 THR 22 0.065 -9.980 -5.491 176 HA PRO 23 HA PRO 23 0.356 -9.233 -1.118 177 HB2 PRO 23 2HB PRO 23 0.273 -12.027 -0.874 178 HB3 PRO 23 3HB PRO 23 -0.964 -10.981 -0.166 179 HG2 PRO 23 2HG PRO 23 -1.019 -12.488 -2.799 180 HG3 PRO 23 3HG PRO 23 -2.291 -12.336 -1.579 181 HD2 PRO 23 2HD PRO 23 -2.372 -10.812 -3.814 182 HD3 PRO 23 3HD PRO 23 -2.869 -10.125 -2.262 183 H GLU 24 H GLU 24 0.617 -11.363 -4.034 184 HA GLU 24 HA GLU 24 3.309 -12.001 -3.643 185 HB2 GLU 24 2HB GLU 24 1.550 -11.704 -6.115 186 HB3 GLU 24 3HB GLU 24 3.241 -12.212 -6.219 187 HG2 GLU 24 2HG GLU 24 1.034 -13.655 -4.670 188 HG3 GLU 24 3HG GLU 24 1.693 -14.144 -6.237 189 H ASP 25 H ASP 25 1.730 -9.090 -5.108 190 HA ASP 25 HA ASP 25 4.214 -7.991 -6.000 191 HB2 ASP 25 2HB ASP 25 1.407 -6.872 -5.574 192 HB3 ASP 25 3HB ASP 25 2.754 -5.884 -6.156 193 H ILE 26 H ILE 26 2.139 -7.654 -3.040 194 HA ILE 26 HA ILE 26 3.452 -5.438 -1.999 195 HB ILE 26 HB ILE 26 1.950 -7.763 -0.711 196 HG12 ILE 26 2HG1 ILE 26 1.204 -4.819 -1.022 197 HG13 ILE 26 3HG1 ILE 26 0.770 -6.063 -2.202 198 HG21 ILE 26 1HG2 ILE 26 1.901 -6.427 1.371 199 HG22 ILE 26 2HG2 ILE 26 3.573 -6.908 0.925 200 HG23 ILE 26 3HG2 ILE 26 3.011 -5.229 0.624 201 HD11 ILE 26 3HD1 ILE 26 -0.054 -6.028 0.735 202 HD12 ILE 26 1HD1 ILE 26 -1.091 -5.610 -0.670 203 HD13 ILE 26 2HD1 ILE 26 -0.494 -7.291 -0.463 204 H LYS 27 H LYS 27 4.233 -8.970 -1.837 205 HA LYS 27 HA LYS 27 6.097 -8.927 0.196 206 HB2 LYS 27 2HB LYS 27 5.893 -10.531 -2.387 207 HB3 LYS 27 3HB LYS 27 7.152 -10.838 -1.183 208 HG2 LYS 27 2HG LYS 27 5.450 -11.360 0.524 209 HG3 LYS 27 3HG LYS 27 4.150 -10.941 -0.601 210 HD2 LYS 27 2HD LYS 27 4.940 -12.762 -2.155 211 HD3 LYS 27 3HD LYS 27 6.189 -13.199 -0.981 212 HE2 LYS 27 2HE LYS 27 4.470 -13.735 0.713 213 HE3 LYS 27 3HE LYS 27 3.186 -13.182 -0.370 214 HZ1 LYS 27 3HZ LYS 27 5.015 -15.386 -1.059 215 HZ2 LYS 27 1HZ LYS 27 3.572 -15.614 -0.331 216 HZ3 LYS 27 2HZ LYS 27 3.638 -14.965 -1.828 217 H GLN 28 H GLN 28 6.342 -7.610 -3.120 218 HA GLN 28 HA GLN 28 9.225 -7.675 -3.093 219 HB2 GLN 28 2HB GLN 28 7.149 -6.443 -4.969 220 HB3 GLN 28 3HB GLN 28 8.894 -6.357 -5.243 221 HG2 GLN 28 2HG GLN 28 8.976 -8.873 -5.260 222 HG3 GLN 28 3HG GLN 28 7.216 -8.905 -5.091 223 HE21 GLN 28 1HE2 GLN 28 7.872 -10.196 -7.201 224 HE22 GLN 28 2HE2 GLN 28 7.729 -9.294 -8.673 225 H TRP 29 H TRP 29 6.602 -5.276 -2.391 226 HA TRP 29 HA TRP 29 8.344 -3.077 -3.021 227 HB2 TRP 29 2HB TRP 29 5.577 -3.120 -1.718 228 HB3 TRP 29 3HB TRP 29 6.381 -1.715 -2.430 229 HD1 TRP 29 HD1 TRP 29 7.345 -4.021 -4.922 230 HE1 TRP 29 HE1 TRP 29 5.632 -4.250 -6.845 231 HE3 TRP 29 HE3 TRP 29 3.245 -1.973 -2.595 232 HZ2 TRP 29 HZ2 TRP 29 2.923 -3.653 -7.320 233 HZ3 TRP 29 HZ3 TRP 29 1.105 -1.835 -3.858 234 HH2 TRP 29 HH2 TRP 29 0.941 -2.654 -6.159 235 H ASN 30 H ASN 30 7.956 -5.083 -0.240 236 HA ASN 30 HA ASN 30 8.264 -3.535 1.922 237 HB2 ASN 30 2HB ASN 30 8.453 -5.914 2.064 238 HB3 ASN 30 3HB ASN 30 9.893 -5.936 1.038 239 HD21 ASN 30 1HD2 ASN 30 10.757 -7.180 2.814 240 HD22 ASN 30 2HD2 ASN 30 11.544 -6.332 4.103 241 H ALA 31 H ALA 31 9.606 -1.880 2.634 242 HA ALA 31 HA ALA 31 11.335 -0.867 0.537 243 HB1 ALA 31 3HB ALA 31 10.393 0.299 3.202 244 HB2 ALA 31 1HB ALA 31 11.314 1.182 1.938 245 HB3 ALA 31 2HB ALA 31 9.654 0.591 1.592 246 H ALA 32 H ALA 32 11.798 -2.940 3.192 247 HA ALA 32 HA ALA 32 14.274 -1.700 4.080 248 HB1 ALA 32 3HB ALA 32 12.836 -4.279 4.878 249 HB2 ALA 32 1HB ALA 32 14.293 -3.601 5.680 250 HB3 ALA 32 2HB ALA 32 12.740 -2.700 5.729 251 H SER 33 H SER 33 15.800 -4.048 4.661 252 HA SER 33 HA SER 33 17.062 -4.246 2.099 253 HB2 SER 33 2HB SER 33 18.802 -5.357 3.300 254 HB3 SER 33 3HB SER 33 18.214 -4.058 4.346 255 HG SER 33 HG SER 33 16.809 -5.732 5.349 256 H ASP 34 H ASP 34 17.398 -6.131 0.802 257 HA ASP 34 HA ASP 34 15.399 -8.183 1.055 258 HB2 ASP 34 2HB ASP 34 17.775 -7.711 -0.797 259 HB3 ASP 34 3HB ASP 34 16.766 -9.161 -0.891 260 H ASP 35 H ASP 35 18.055 -7.628 2.952 261 HA ASP 35 HA ASP 35 19.136 -10.357 2.689 262 HB2 ASP 35 2HB ASP 35 20.346 -7.811 3.875 263 HB3 ASP 35 3HB ASP 35 21.135 -9.393 3.830 264 H TRP 36 H TRP 36 18.257 -7.808 5.171 265 HA TRP 36 HA TRP 36 18.398 -9.949 7.184 266 HB2 TRP 36 2HB TRP 36 18.525 -6.900 7.388 267 HB3 TRP 36 3HB TRP 36 18.489 -7.988 8.782 268 HD1 TRP 36 HD1 TRP 36 20.855 -6.446 6.283 269 HE1 TRP 36 HE1 TRP 36 23.256 -7.319 6.682 270 HE3 TRP 36 HE3 TRP 36 19.785 -10.281 9.531 271 HZ2 TRP 36 HZ2 TRP 36 24.528 -9.346 8.163 272 HZ3 TRP 36 HZ3 TRP 36 21.662 -11.658 10.408 273 HH2 TRP 36 HH2 TRP 36 23.976 -11.207 9.748 274 H HIS 37 H HIS 37 16.083 -8.727 5.186 275 HA HIS 37 HA HIS 37 14.055 -8.951 7.308 276 HB2 HIS 37 2HB HIS 37 14.084 -6.991 4.959 277 HB3 HIS 37 3HB HIS 37 12.700 -7.271 6.023 278 HD2 HIS 37 HD2 HIS 37 12.843 -6.017 8.538 279 HE1 HIS 37 HE1 HIS 37 16.614 -4.107 7.862 280 H THR 38 H THR 38 12.633 -10.609 6.898 281 HA THR 38 HA THR 38 12.312 -11.374 4.083 282 HB THR 38 HB THR 38 11.796 -12.958 6.654 283 HG1 THR 38 HG1 THR 38 13.569 -14.257 5.782 284 HG21 THR 38 3HG2 THR 38 11.512 -13.770 3.721 285 HG22 THR 38 1HG2 THR 38 11.342 -14.862 5.137 286 HG23 THR 38 2HG2 THR 38 10.169 -13.524 4.888 287 H THR 39 H THR 39 10.222 -11.392 3.155 288 HA THR 39 HA THR 39 8.108 -10.389 4.929 289 HB THR 39 HB THR 39 8.766 -9.469 2.080 290 HG1 THR 39 HG1 THR 39 8.625 -7.431 3.828 291 HG21 THR 39 3HG2 THR 39 6.537 -8.621 3.995 292 HG22 THR 39 1HG2 THR 39 6.900 -7.871 2.404 293 HG23 THR 39 2HG2 THR 39 6.333 -9.573 2.486 294 H ALA 40 H ALA 40 6.135 -11.474 4.739 295 HA ALA 40 HA ALA 40 5.503 -12.609 2.124 296 HB1 ALA 40 3HB ALA 40 5.326 -14.141 4.768 297 HB2 ALA 40 1HB ALA 40 4.662 -14.691 3.192 298 HB3 ALA 40 2HB ALA 40 6.435 -14.500 3.402 299 H ALA 41 H ALA 41 3.347 -12.305 1.556 300 HA ALA 41 HA ALA 41 1.680 -11.070 3.652 301 HB1 ALA 41 3HB ALA 41 2.111 -10.141 0.771 302 HB2 ALA 41 1HB ALA 41 0.927 -9.448 1.930 303 HB3 ALA 41 2HB ALA 41 2.688 -9.310 2.255 304 H THR 42 H THR 42 -0.559 -11.538 3.564 305 HA THR 42 HA THR 42 -1.461 -12.863 1.115 306 HB THR 42 HB THR 42 -2.213 -13.668 3.974 307 HG1 THR 42 HG1 THR 42 -1.203 -15.695 3.302 308 HG21 THR 42 3HG2 THR 42 -3.131 -14.759 1.268 309 HG22 THR 42 1HG2 THR 42 -3.549 -15.443 2.875 310 HG23 THR 42 2HG2 THR 42 -4.126 -13.805 2.419 311 H VAL 43 H VAL 43 -3.343 -11.955 0.278 312 HA VAL 43 HA VAL 43 -4.792 -10.141 2.075 313 HB VAL 43 HB VAL 43 -3.988 -9.618 -0.831 314 HG11 VAL 43 1HG1 VAL 43 -5.051 -7.408 -0.495 315 HG12 VAL 43 2HG1 VAL 43 -6.231 -8.750 -0.324 316 HG13 VAL 43 3HG1 VAL 43 -5.595 -7.923 1.137 317 HG21 VAL 43 3HG2 VAL 43 -2.121 -9.326 0.741 318 HG22 VAL 43 1HG2 VAL 43 -2.686 -7.739 0.119 319 HG23 VAL 43 2HG2 VAL 43 -3.140 -8.267 1.774 320 H ASP 44 H ASP 44 -7.032 -10.458 2.036 321 HA ASP 44 HA ASP 44 -8.163 -11.897 -0.246 322 HB2 ASP 44 2HB ASP 44 -8.856 -12.483 2.075 323 HB3 ASP 44 3HB ASP 44 -9.411 -10.824 2.332 324 H LEU 45 H LEU 45 -8.690 -10.710 -2.047 325 HA LEU 45 HA LEU 45 -8.771 -7.829 -1.777 326 HB2 LEU 45 2HB LEU 45 -8.895 -9.767 -4.135 327 HB3 LEU 45 3HB LEU 45 -9.005 -8.011 -4.314 328 HG LEU 45 HG LEU 45 -6.719 -7.852 -3.154 329 HD11 LEU 45 1HD1 LEU 45 -5.341 -9.901 -3.173 330 HD12 LEU 45 2HD1 LEU 45 -6.759 -10.070 -2.083 331 HD13 LEU 45 3HD1 LEU 45 -6.768 -10.858 -3.697 332 HD21 LEU 45 3HD2 LEU 45 -7.037 -7.618 -5.589 333 HD22 LEU 45 1HD2 LEU 45 -5.505 -8.478 -5.215 334 HD23 LEU 45 2HD2 LEU 45 -6.939 -9.401 -5.780 335 H ARG 46 H ARG 46 -10.764 -7.411 -0.633 336 HA ARG 46 HA ARG 46 -12.916 -7.041 -2.425 337 HB2 ARG 46 2HB ARG 46 -14.613 -8.390 -1.403 338 HB3 ARG 46 3HB ARG 46 -13.318 -9.404 -2.051 339 HG2 ARG 46 2HG ARG 46 -12.373 -9.611 0.265 340 HG3 ARG 46 3HG ARG 46 -13.745 -8.679 0.879 341 HD2 ARG 46 2HD ARG 46 -15.296 -10.370 0.190 342 HD3 ARG 46 3HD ARG 46 -14.030 -11.260 -0.665 343 HE ARG 46 HE ARG 46 -13.256 -12.108 1.364 344 HH11 ARG 46 1HH1 ARG 46 -15.710 -9.669 1.982 345 HH12 ARG 46 2HH1 ARG 46 -15.933 -10.145 3.632 346 HH21 ARG 46 1HH2 ARG 46 -13.542 -12.699 3.483 347 HH22 ARG 46 2HH2 ARG 46 -14.688 -11.885 4.495 348 H GLU 47 H GLU 47 -14.697 -5.766 -1.402 349 HA GLU 47 HA GLU 47 -13.869 -4.113 0.731 350 HB2 GLU 47 2HB GLU 47 -15.547 -3.528 -1.040 351 HB3 GLU 47 3HB GLU 47 -16.667 -4.708 -0.345 352 HG2 GLU 47 2HG GLU 47 -16.855 -3.431 1.717 353 HG3 GLU 47 3HG GLU 47 -15.547 -2.344 1.232 354 H GLY 48 H GLY 48 -13.882 -4.462 2.931 355 HA2 GLY 48 2HA GLY 48 -14.669 -5.342 4.910 356 HA3 GLY 48 3HA GLY 48 -15.719 -6.451 4.019 357 H GLY 49 H GLY 49 -12.933 -6.861 2.305 358 HA2 GLY 49 2HA GLY 49 -12.440 -9.379 3.517 359 HA3 GLY 49 3HA GLY 49 -11.547 -8.624 2.190 360 H ALA 50 H ALA 50 -10.461 -10.165 4.515 361 HA ALA 50 HA ALA 50 -9.081 -8.042 5.999 362 HB1 ALA 50 3HB ALA 50 -9.240 -11.069 6.402 363 HB2 ALA 50 1HB ALA 50 -8.368 -9.914 7.465 364 HB3 ALA 50 2HB ALA 50 -10.155 -9.823 7.316 365 H PHE 51 H PHE 51 -6.715 -8.126 6.253 366 HA PHE 51 HA PHE 51 -5.329 -9.889 4.379 367 HB2 PHE 51 2HB PHE 51 -3.993 -8.035 3.490 368 HB3 PHE 51 3HB PHE 51 -5.706 -7.805 3.117 369 HD1 PHE 51 HD1 PHE 51 -7.003 -6.023 4.185 370 HD2 PHE 51 HD2 PHE 51 -2.838 -6.579 5.080 371 HE1 PHE 51 HE1 PHE 51 -6.924 -3.774 5.213 372 HE2 PHE 51 HE2 PHE 51 -2.762 -4.330 6.111 373 HZ PHE 51 HZ PHE 51 -4.802 -2.923 6.180 374 H SER 52 H SER 52 -2.961 -10.024 4.866 375 HA SER 52 HA SER 52 -2.200 -8.999 7.492 376 HB2 SER 52 2HB SER 52 -3.316 -11.128 7.994 377 HB3 SER 52 3HB SER 52 -2.355 -11.959 6.764 378 HG SER 52 HG SER 52 -1.033 -10.505 8.836 379 H SER 53 H SER 53 0.039 -8.702 7.701 380 HA SER 53 HA SER 53 1.678 -9.778 5.493 381 HB2 SER 53 2HB SER 53 1.286 -7.378 5.136 382 HB3 SER 53 3HB SER 53 1.778 -7.019 6.796 383 HG SER 53 HG SER 53 3.341 -7.002 4.741 384 H ARG 54 H ARG 54 3.261 -11.119 6.233 385 HA ARG 54 HA ARG 54 3.983 -10.846 9.065 386 HB2 ARG 54 2HB ARG 54 3.033 -12.995 8.446 387 HB3 ARG 54 3HB ARG 54 4.251 -13.202 7.180 388 HG2 ARG 54 2HG ARG 54 6.041 -13.271 8.858 389 HG3 ARG 54 3HG ARG 54 4.880 -12.944 10.152 390 HD2 ARG 54 2HD ARG 54 3.750 -15.052 9.712 391 HD3 ARG 54 3HD ARG 54 4.831 -15.374 8.350 392 HE ARG 54 HE ARG 54 6.382 -14.981 10.705 393 HH11 ARG 54 1HH1 ARG 54 4.148 -17.313 9.318 394 HH12 ARG 54 2HH1 ARG 54 4.878 -18.662 10.123 395 HH21 ARG 54 1HH2 ARG 54 7.296 -16.716 11.739 396 HH22 ARG 54 2HH2 ARG 54 6.685 -18.321 11.514 397 H MET 55 H MET 55 5.871 -9.786 9.485 398 HA MET 55 HA MET 55 8.047 -10.141 7.519 399 HB2 MET 55 2HB MET 55 7.252 -7.673 9.136 400 HB3 MET 55 3HB MET 55 8.770 -7.830 8.242 401 HG2 MET 55 2HG MET 55 7.467 -8.125 6.121 402 HG3 MET 55 3HG MET 55 5.966 -7.909 7.031 403 HE1 MET 55 3HE MET 55 5.268 -5.055 5.599 404 HE2 MET 55 1HE MET 55 6.773 -4.970 4.622 405 HE3 MET 55 2HE MET 55 5.956 -6.549 4.877 406 H GLU 56 H GLU 56 10.025 -10.791 8.345 407 HA GLU 56 HA GLU 56 10.379 -10.637 11.250 408 HB2 GLU 56 2HB GLU 56 10.640 -13.159 9.542 409 HB3 GLU 56 3HB GLU 56 11.226 -13.008 11.204 410 HG2 GLU 56 2HG GLU 56 8.866 -12.535 11.954 411 HG3 GLU 56 3HG GLU 56 8.314 -12.792 10.294 412 H ALA 57 H ALA 57 12.621 -10.655 11.920 413 HA ALA 57 HA ALA 57 14.401 -9.675 9.879 414 HB1 ALA 57 3HB ALA 57 14.789 -10.280 12.852 415 HB2 ALA 57 1HB ALA 57 15.964 -9.430 11.793 416 HB3 ALA 57 2HB ALA 57 14.365 -8.689 12.135 417 H LYS 58 H LYS 58 16.145 -10.725 8.923 418 HA LYS 58 HA LYS 58 16.074 -13.500 8.742 419 HB2 LYS 58 2HB LYS 58 17.078 -11.934 7.079 420 HB3 LYS 58 3HB LYS 58 18.378 -11.559 8.217 421 HG2 LYS 58 2HG LYS 58 19.257 -13.149 6.650 422 HG3 LYS 58 3HG LYS 58 19.036 -14.010 8.180 423 HD2 LYS 58 2HD LYS 58 16.911 -14.978 7.381 424 HD3 LYS 58 3HD LYS 58 16.999 -14.029 5.891 425 HE2 LYS 58 2HE LYS 58 19.133 -15.190 5.282 426 HE3 LYS 58 3HE LYS 58 19.033 -16.146 6.767 427 HZ1 LYS 58 3HZ LYS 58 17.041 -16.174 4.589 428 HZ2 LYS 58 1HZ LYS 58 18.148 -17.336 4.887 429 HZ3 LYS 58 2HZ LYS 58 16.949 -17.056 5.960 430 H ASP 59 H ASP 59 17.747 -11.354 11.079 431 HA ASP 59 HA ASP 59 19.576 -13.414 11.911 432 HB2 ASP 59 2HB ASP 59 20.331 -11.784 13.512 433 HB3 ASP 59 3HB ASP 59 20.084 -10.959 11.967 434 H GLY 60 H GLY 60 16.202 -12.836 12.475 435 HA2 GLY 60 2HA GLY 60 14.865 -14.346 13.489 436 HA3 GLY 60 3HA GLY 60 16.292 -15.221 14.059 437 H SER 61 H SER 61 16.326 -11.799 14.843 438 HA SER 61 HA SER 61 16.147 -12.551 17.644 439 HB2 SER 61 2HB SER 61 17.026 -10.324 18.034 440 HB3 SER 61 3HB SER 61 17.981 -11.119 16.776 441 HG SER 61 HG SER 61 16.972 -9.890 15.195 442 H MET 62 H MET 62 14.154 -10.949 15.157 443 HA MET 62 HA MET 62 12.047 -10.492 17.070 444 HB2 MET 62 2HB MET 62 11.951 -8.074 16.753 445 HB3 MET 62 3HB MET 62 13.493 -8.535 17.487 446 HG2 MET 62 2HG MET 62 14.586 -8.368 15.233 447 HG3 MET 62 3HG MET 62 13.045 -7.838 14.546 448 HE1 MET 62 3HE MET 62 12.028 -5.208 16.848 449 HE2 MET 62 1HE MET 62 12.471 -4.434 15.288 450 HE3 MET 62 2HE MET 62 11.722 -6.066 15.300 451 H GLY 63 H GLY 63 10.038 -9.649 15.956 452 HA2 GLY 63 2HA GLY 63 10.113 -9.095 13.174 453 HA3 GLY 63 3HA GLY 63 9.553 -10.749 13.455 454 H PHE 64 H PHE 64 7.759 -9.020 12.255 455 HA PHE 64 HA PHE 64 5.908 -8.381 14.461 456 HB2 PHE 64 2HB PHE 64 6.467 -6.736 11.945 457 HB3 PHE 64 3HB PHE 64 5.181 -6.409 13.113 458 HD1 PHE 64 HD1 PHE 64 5.756 -5.692 15.440 459 HD2 PHE 64 HD2 PHE 64 8.744 -6.117 12.383 460 HE1 PHE 64 HE1 PHE 64 7.322 -4.321 16.780 461 HE2 PHE 64 HE2 PHE 64 10.312 -4.750 13.727 462 HZ PHE 64 HZ PHE 64 9.605 -3.851 15.927 463 H ASP 65 H ASP 65 3.744 -8.980 14.115 464 HA ASP 65 HA ASP 65 3.127 -9.997 11.414 465 HB2 ASP 65 2HB ASP 65 2.941 -11.654 13.268 466 HB3 ASP 65 3HB ASP 65 1.817 -10.582 14.115 467 H PHE 66 H PHE 66 1.794 -8.736 10.178 468 HA PHE 66 HA PHE 66 0.365 -6.587 11.606 469 HB2 PHE 66 2HB PHE 66 1.560 -6.787 8.804 470 HB3 PHE 66 3HB PHE 66 0.442 -5.502 9.280 471 HD1 PHE 66 HD1 PHE 66 1.824 -5.792 12.276 472 HD2 PHE 66 HD2 PHE 66 3.126 -4.851 8.292 473 HE1 PHE 66 HE1 PHE 66 3.716 -4.489 13.200 474 HE2 PHE 66 HE2 PHE 66 5.017 -3.553 9.216 475 HZ PHE 66 HZ PHE 66 5.317 -3.368 11.673 476 H ALA 67 H ALA 67 -1.846 -6.257 11.241 477 HA ALA 67 HA ALA 67 -3.127 -7.927 9.205 478 HB1 ALA 67 3HB ALA 67 -3.894 -7.858 12.165 479 HB2 ALA 67 1HB ALA 67 -4.840 -8.642 10.855 480 HB3 ALA 67 2HB ALA 67 -3.207 -9.258 11.276 481 H GLY 68 H GLY 68 -5.106 -7.051 8.388 482 HA2 GLY 68 2HA GLY 68 -6.206 -4.708 9.700 483 HA3 GLY 68 3HA GLY 68 -5.410 -4.397 8.151 484 H THR 69 H THR 69 -8.109 -3.809 8.309 485 HA THR 69 HA THR 69 -9.242 -5.967 6.685 486 HB THR 69 HB THR 69 -10.712 -4.409 8.876 487 HG1 THR 69 HG1 THR 69 -10.869 -6.564 9.835 488 HG21 THR 69 3HG2 THR 69 -11.658 -6.621 6.989 489 HG22 THR 69 1HG2 THR 69 -12.612 -5.900 8.330 490 HG23 THR 69 2HG2 THR 69 -12.138 -4.891 6.922 491 H TYR 70 H TYR 70 -10.572 -5.248 4.935 492 HA TYR 70 HA TYR 70 -10.202 -2.454 4.263 493 HB2 TYR 70 2HB TYR 70 -11.408 -4.860 2.820 494 HB3 TYR 70 3HB TYR 70 -11.397 -3.229 2.137 495 HD1 TYR 70 HD1 TYR 70 -8.964 -2.050 2.196 496 HD2 TYR 70 HD2 TYR 70 -9.661 -6.285 2.235 497 HE1 TYR 70 HE1 TYR 70 -6.686 -2.431 1.311 498 HE2 TYR 70 HE2 TYR 70 -7.382 -6.674 1.353 499 HH TYR 70 HH TYR 70 -5.296 -5.667 1.117 500 H THR 71 H THR 71 -11.898 -0.924 3.886 501 HA THR 71 HA THR 71 -14.349 -1.665 5.319 502 HB THR 71 HB THR 71 -14.586 0.739 5.820 503 HG1 THR 71 HG1 THR 71 -13.021 2.235 5.116 504 HG21 THR 71 3HG2 THR 71 -11.783 -0.313 6.439 505 HG22 THR 71 1HG2 THR 71 -12.625 1.014 7.308 506 HG23 THR 71 2HG2 THR 71 -13.276 -0.659 7.375 507 H LYS 72 H LYS 72 -12.988 -0.296 2.284 508 HA LYS 72 HA LYS 72 -15.624 -0.124 1.112 509 HB2 LYS 72 2HB LYS 72 -15.352 1.991 2.492 510 HB3 LYS 72 3HB LYS 72 -13.950 2.400 1.495 511 HG2 LYS 72 2HG LYS 72 -15.347 2.531 -0.517 512 HG3 LYS 72 3HG LYS 72 -16.758 1.944 0.373 513 HD2 LYS 72 2HD LYS 72 -16.527 3.972 1.913 514 HD3 LYS 72 3HD LYS 72 -15.264 4.577 0.833 515 HE2 LYS 72 2HE LYS 72 -16.873 4.547 -1.077 516 HE3 LYS 72 3HE LYS 72 -18.137 3.921 -0.010 517 HZ1 LYS 72 3HZ LYS 72 -16.779 6.522 0.304 518 HZ2 LYS 72 1HZ LYS 72 -18.292 6.296 -0.267 519 HZ3 LYS 72 2HZ LYS 72 -17.945 5.944 1.289 520 H VAL 73 H VAL 73 -15.491 -0.403 -1.117 521 HA VAL 73 HA VAL 73 -12.997 0.440 -2.380 522 HB VAL 73 HB VAL 73 -14.378 -2.258 -2.824 523 HG11 VAL 73 1HG1 VAL 73 -12.580 -2.672 -4.477 524 HG12 VAL 73 2HG1 VAL 73 -13.611 -1.278 -4.946 525 HG13 VAL 73 3HG1 VAL 73 -11.984 -0.994 -4.241 526 HG21 VAL 73 3HG2 VAL 73 -12.966 -2.202 -0.813 527 HG22 VAL 73 1HG2 VAL 73 -12.210 -3.204 -2.097 528 HG23 VAL 73 2HG2 VAL 73 -11.599 -1.545 -1.775 529 H VAL 74 H VAL 74 -13.395 1.660 -4.221 530 HA VAL 74 HA VAL 74 -16.118 1.486 -5.309 531 HB VAL 74 HB VAL 74 -14.519 4.016 -4.656 532 HG11 VAL 74 1HG1 VAL 74 -16.501 5.238 -5.502 533 HG12 VAL 74 2HG1 VAL 74 -15.731 4.244 -6.785 534 HG13 VAL 74 3HG1 VAL 74 -17.244 3.680 -5.998 535 HG21 VAL 74 3HG2 VAL 74 -15.581 2.995 -2.689 536 HG22 VAL 74 1HG2 VAL 74 -16.413 4.520 -3.145 537 HG23 VAL 74 2HG2 VAL 74 -17.154 2.936 -3.553 538 H GLU 75 H GLU 75 -16.158 1.287 -7.543 539 HA GLU 75 HA GLU 75 -15.469 1.278 -9.661 540 HB2 GLU 75 2HB GLU 75 -14.279 3.928 -8.712 541 HB3 GLU 75 3HB GLU 75 -14.372 3.441 -10.410 542 HG2 GLU 75 2HG GLU 75 -16.855 3.328 -10.252 543 HG3 GLU 75 3HG GLU 75 -16.775 3.785 -8.545 544 H ASN 76 H ASN 76 -13.719 -0.261 -7.902 545 HA ASN 76 HA ASN 76 -11.596 -0.768 -7.398 546 HB2 ASN 76 2HB ASN 76 -11.460 -0.631 -10.435 547 HB3 ASN 76 3HB ASN 76 -10.294 -1.460 -9.396 548 HD21 ASN 76 1HD2 ASN 76 -12.947 -1.847 -11.285 549 HD22 ASN 76 2HD2 ASN 76 -13.484 -3.385 -10.695 550 H LYS 77 H LYS 77 -11.598 1.857 -6.699 551 HA LYS 77 HA LYS 77 -9.494 3.187 -8.228 552 HB2 LYS 77 2HB LYS 77 -11.562 3.684 -9.467 553 HB3 LYS 77 3HB LYS 77 -12.372 4.186 -7.977 554 HG2 LYS 77 2HG LYS 77 -10.807 6.090 -7.736 555 HG3 LYS 77 3HG LYS 77 -9.923 5.570 -9.177 556 HD2 LYS 77 2HD LYS 77 -12.019 5.842 -10.542 557 HD3 LYS 77 3HD LYS 77 -12.871 6.405 -9.098 558 HE2 LYS 77 2HE LYS 77 -11.249 8.299 -8.879 559 HE3 LYS 77 3HE LYS 77 -10.399 7.737 -10.324 560 HZ1 LYS 77 3HZ LYS 77 -13.213 8.617 -10.241 561 HZ2 LYS 77 1HZ LYS 77 -11.960 9.476 -10.837 562 HZ3 LYS 77 2HZ LYS 77 -12.428 8.098 -11.576 563 H ARG 78 H ARG 78 -11.655 2.905 -5.389 564 HA ARG 78 HA ARG 78 -9.684 4.459 -3.902 565 HB2 ARG 78 2HB ARG 78 -12.654 5.050 -3.847 566 HB3 ARG 78 3HB ARG 78 -11.471 5.659 -2.682 567 HG2 ARG 78 2HG ARG 78 -10.230 6.593 -4.801 568 HG3 ARG 78 3HG ARG 78 -11.779 6.340 -5.616 569 HD2 ARG 78 2HD ARG 78 -11.401 7.975 -3.101 570 HD3 ARG 78 3HD ARG 78 -11.396 8.634 -4.741 571 HE ARG 78 HE ARG 78 -13.793 7.259 -4.539 572 HH11 ARG 78 1HH1 ARG 78 -12.266 9.845 -2.712 573 HH12 ARG 78 2HH1 ARG 78 -13.772 10.593 -2.294 574 HH21 ARG 78 1HH2 ARG 78 -15.713 8.221 -3.984 575 HH22 ARG 78 2HH2 ARG 78 -15.750 9.661 -3.023 576 H ILE 79 H ILE 79 -9.291 3.626 -1.831 577 HA ILE 79 HA ILE 79 -10.987 1.431 -0.970 578 HB ILE 79 HB ILE 79 -9.405 0.419 -2.616 579 HG12 ILE 79 2HG1 ILE 79 -8.624 -0.357 0.228 580 HG13 ILE 79 3HG1 ILE 79 -10.210 -0.729 -0.461 581 HG21 ILE 79 1HG2 ILE 79 -6.988 0.351 -2.100 582 HG22 ILE 79 2HG2 ILE 79 -7.562 2.028 -2.388 583 HG23 ILE 79 3HG2 ILE 79 -7.257 1.459 -0.712 584 HD11 ILE 79 3HD1 ILE 79 -7.521 -1.648 -1.576 585 HD12 ILE 79 1HD1 ILE 79 -8.691 -2.647 -0.649 586 HD13 ILE 79 2HD1 ILE 79 -9.132 -2.026 -2.276 587 H GLU 80 H GLU 80 -11.073 1.385 1.267 588 HA GLU 80 HA GLU 80 -8.894 2.786 2.684 589 HB2 GLU 80 2HB GLU 80 -10.965 4.147 2.601 590 HB3 GLU 80 3HB GLU 80 -11.898 2.795 3.255 591 HG2 GLU 80 2HG GLU 80 -10.458 2.890 5.343 592 HG3 GLU 80 3HG GLU 80 -9.680 4.337 4.689 593 H TYR 81 H TYR 81 -8.172 1.852 4.645 594 HA TYR 81 HA TYR 81 -9.528 -0.544 5.586 595 HB2 TYR 81 2HB TYR 81 -7.363 -1.829 5.504 596 HB3 TYR 81 3HB TYR 81 -8.102 -1.533 3.924 597 HD1 TYR 81 HD1 TYR 81 -7.068 0.016 2.318 598 HD2 TYR 81 HD2 TYR 81 -5.263 -0.730 6.140 599 HE1 TYR 81 HE1 TYR 81 -4.959 1.034 1.515 600 HE2 TYR 81 HE2 TYR 81 -3.149 0.284 5.344 601 HH TYR 81 HH TYR 81 -2.700 1.180 1.946 602 H ALA 82 H ALA 82 -8.530 -1.333 7.684 603 HA ALA 82 HA ALA 82 -7.331 0.970 9.093 604 HB1 ALA 82 3HB ALA 82 -9.378 -1.081 10.075 605 HB2 ALA 82 1HB ALA 82 -8.618 0.204 11.075 606 HB3 ALA 82 2HB ALA 82 -9.695 0.649 9.708 607 H PHE 83 H PHE 83 -5.611 0.565 10.511 608 HA PHE 83 HA PHE 83 -4.805 -2.264 10.746 609 HB2 PHE 83 2HB PHE 83 -3.394 -1.301 9.035 610 HB3 PHE 83 3HB PHE 83 -3.132 0.170 9.981 611 HD1 PHE 83 HD1 PHE 83 -2.494 -3.521 9.986 612 HD2 PHE 83 HD2 PHE 83 -1.322 0.332 11.478 613 HE1 PHE 83 HE1 PHE 83 -0.466 -4.525 10.987 614 HE2 PHE 83 HE2 PHE 83 0.707 -0.671 12.476 615 HZ PHE 83 HZ PHE 83 1.140 -3.103 12.233 616 H GLY 84 H GLY 84 -5.075 -2.738 12.908 617 HA2 GLY 84 2HA GLY 84 -4.716 -2.630 15.121 618 HA3 GLY 84 3HA GLY 84 -3.485 -1.396 14.826 619 H ASP 85 H ASP 85 -3.896 0.462 15.981 620 HA ASP 85 HA ASP 85 -6.706 1.247 16.317 621 HB2 ASP 85 2HB ASP 85 -5.823 2.795 18.014 622 HB3 ASP 85 3HB ASP 85 -5.353 1.125 18.357 623 H ARG 86 H ARG 86 -4.750 1.533 13.810 624 HA ARG 86 HA ARG 86 -5.245 4.421 13.508 625 HB2 ARG 86 2HB ARG 86 -2.889 2.780 12.566 626 HB3 ARG 86 3HB ARG 86 -3.304 4.359 11.885 627 HG2 ARG 86 2HG ARG 86 -3.135 5.346 14.194 628 HG3 ARG 86 3HG ARG 86 -2.601 3.770 14.792 629 HD2 ARG 86 2HD ARG 86 -1.194 5.292 12.595 630 HD3 ARG 86 3HD ARG 86 -0.817 5.479 14.313 631 HE ARG 86 HE ARG 86 0.011 3.230 14.351 632 HH11 ARG 86 1HH1 ARG 86 -0.895 4.300 11.129 633 HH12 ARG 86 2HH1 ARG 86 0.085 3.113 10.335 634 HH21 ARG 86 1HH2 ARG 86 1.255 1.709 13.320 635 HH22 ARG 86 2HH2 ARG 86 1.319 1.625 11.591 636 H THR 87 H THR 87 -5.374 5.055 11.067 637 HA THR 87 HA THR 87 -6.652 2.878 9.578 638 HB THR 87 HB THR 87 -8.391 4.463 8.798 639 HG1 THR 87 HG1 THR 87 -8.560 6.533 9.926 640 HG21 THR 87 3HG2 THR 87 -8.172 4.322 11.845 641 HG22 THR 87 1HG2 THR 87 -9.670 4.651 10.912 642 HG23 THR 87 2HG2 THR 87 -8.857 3.056 10.771 643 H ALA 88 H ALA 88 -6.725 3.298 7.175 644 HA ALA 88 HA ALA 88 -5.169 5.588 6.267 645 HB1 ALA 88 3HB ALA 88 -4.492 2.688 5.568 646 HB2 ALA 88 1HB ALA 88 -3.782 4.145 4.795 647 HB3 ALA 88 2HB ALA 88 -3.479 3.814 6.534 648 H LYS 89 H LYS 89 -5.670 6.224 4.095 649 HA LYS 89 HA LYS 89 -7.763 4.620 2.793 650 HB2 LYS 89 2HB LYS 89 -8.798 6.490 4.104 651 HB3 LYS 89 3HB LYS 89 -7.807 7.647 3.205 652 HG2 LYS 89 2HG LYS 89 -8.924 7.064 1.104 653 HG3 LYS 89 3HG LYS 89 -9.807 5.746 1.886 654 HD2 LYS 89 2HD LYS 89 -10.945 7.397 3.385 655 HD3 LYS 89 3HD LYS 89 -10.061 8.716 2.606 656 HE2 LYS 89 2HE LYS 89 -11.108 8.169 0.424 657 HE3 LYS 89 3HE LYS 89 -11.936 6.782 1.144 658 HZ1 LYS 89 3HZ LYS 89 -12.346 9.599 1.921 659 HZ2 LYS 89 1HZ LYS 89 -13.366 8.698 1.019 660 HZ3 LYS 89 2HZ LYS 89 -13.110 8.318 2.586 661 H VAL 90 H VAL 90 -7.411 4.348 0.605 662 HA VAL 90 HA VAL 90 -5.230 5.977 -0.510 663 HB VAL 90 HB VAL 90 -5.992 3.082 -1.151 664 HG11 VAL 90 1HG1 VAL 90 -3.911 3.081 -2.493 665 HG12 VAL 90 2HG1 VAL 90 -5.099 4.284 -3.101 666 HG13 VAL 90 3HG1 VAL 90 -3.686 4.827 -2.135 667 HG21 VAL 90 3HG2 VAL 90 -4.947 3.297 1.066 668 HG22 VAL 90 1HG2 VAL 90 -3.823 2.514 -0.096 669 HG23 VAL 90 2HG2 VAL 90 -3.595 4.239 0.351 670 H GLU 91 H GLU 91 -5.586 6.976 -2.517 671 HA GLU 91 HA GLU 91 -8.094 6.241 -3.891 672 HB2 GLU 91 2HB GLU 91 -6.820 9.001 -3.573 673 HB3 GLU 91 3HB GLU 91 -8.227 8.636 -4.580 674 HG2 GLU 91 2HG GLU 91 -9.442 7.861 -2.491 675 HG3 GLU 91 3HG GLU 91 -8.057 8.406 -1.537 676 H PHE 92 H PHE 92 -8.021 6.164 -6.188 677 HA PHE 92 HA PHE 92 -5.306 6.456 -7.316 678 HB2 PHE 92 2HB PHE 92 -7.540 4.497 -8.035 679 HB3 PHE 92 3HB PHE 92 -6.041 4.696 -8.953 680 HD1 PHE 92 HD1 PHE 92 -7.356 3.794 -5.563 681 HD2 PHE 92 HD2 PHE 92 -4.090 3.527 -8.343 682 HE1 PHE 92 HE1 PHE 92 -6.234 2.151 -4.090 683 HE2 PHE 92 HE2 PHE 92 -2.970 1.885 -6.869 684 HZ PHE 92 HZ PHE 92 -4.042 1.192 -4.739 685 H LEU 93 H LEU 93 -5.106 7.990 -8.901 686 HA LEU 93 HA LEU 93 -7.638 9.043 -9.998 687 HB2 LEU 93 2HB LEU 93 -4.965 10.457 -9.546 688 HB3 LEU 93 3HB LEU 93 -6.443 11.192 -10.181 689 HG LEU 93 HG LEU 93 -6.140 10.025 -7.364 690 HD11 LEU 93 1HD1 LEU 93 -6.175 12.383 -6.639 691 HD12 LEU 93 2HD1 LEU 93 -4.767 12.040 -7.700 692 HD13 LEU 93 3HD1 LEU 93 -6.194 12.912 -8.355 693 HD21 LEU 93 3HD2 LEU 93 -8.436 9.894 -8.258 694 HD22 LEU 93 1HD2 LEU 93 -8.312 11.138 -6.968 695 HD23 LEU 93 2HD2 LEU 93 -8.372 11.635 -8.693 696 H GLU 94 H GLU 94 -7.931 8.911 -12.189 697 HA GLU 94 HA GLU 94 -5.800 7.839 -13.805 698 HB2 GLU 94 2HB GLU 94 -8.193 7.200 -14.085 699 HB3 GLU 94 3HB GLU 94 -8.592 8.871 -14.505 700 HG2 GLU 94 2HG GLU 94 -7.112 8.721 -16.510 701 HG3 GLU 94 3HG GLU 94 -6.711 7.051 -16.090 702 H ALA 95 H ALA 95 -4.215 9.047 -14.756 703 HA ALA 95 HA ALA 95 -4.913 11.829 -15.459 704 HB1 ALA 95 3HB ALA 95 -2.206 10.526 -14.893 705 HB2 ALA 95 1HB ALA 95 -2.465 12.232 -15.391 706 HB3 ALA 95 2HB ALA 95 -3.093 11.652 -13.811 707 HA PRO 96 HA PRO 96 -4.302 10.910 -19.747 708 HB2 PRO 96 2HB PRO 96 -2.938 13.200 -20.576 709 HB3 PRO 96 3HB PRO 96 -4.667 13.235 -20.207 710 HG2 PRO 96 2HG PRO 96 -2.324 14.017 -18.441 711 HG3 PRO 96 3HG PRO 96 -3.848 14.875 -18.708 712 HD2 PRO 96 2HD PRO 96 -3.499 13.365 -16.483 713 HD3 PRO 96 3HD PRO 96 -5.075 13.419 -17.282 714 H GLN 97 H GLN 97 -1.457 11.653 -17.734 715 HA GLN 97 HA GLN 97 0.223 10.515 -19.855 716 HB2 GLN 97 2HB GLN 97 0.899 12.038 -17.287 717 HB3 GLN 97 3HB GLN 97 2.091 11.409 -18.433 718 HG2 GLN 97 2HG GLN 97 1.137 12.870 -20.216 719 HG3 GLN 97 3HG GLN 97 -0.039 13.506 -19.059 720 HE21 GLN 97 1HE2 GLN 97 1.126 15.533 -19.879 721 HE22 GLN 97 2HE2 GLN 97 2.487 16.075 -18.955 722 H GLY 98 H GLY 98 -1.443 9.598 -16.965 723 HA2 GLY 98 2HA GLY 98 -0.414 7.030 -16.877 724 HA3 GLY 98 3HA GLY 98 0.579 7.992 -15.775 725 H VAL 99 H VAL 99 -0.493 6.304 -14.215 726 HA VAL 99 HA VAL 99 -3.006 7.503 -13.271 727 HB VAL 99 HB VAL 99 -1.856 4.694 -12.876 728 HG11 VAL 99 1HG1 VAL 99 -3.916 4.225 -11.587 729 HG12 VAL 99 2HG1 VAL 99 -2.908 5.487 -10.800 730 HG13 VAL 99 3HG1 VAL 99 -4.383 5.955 -11.712 731 HG21 VAL 99 3HG2 VAL 99 -2.915 5.063 -15.063 732 HG22 VAL 99 1HG2 VAL 99 -3.920 3.982 -14.041 733 HG23 VAL 99 2HG2 VAL 99 -4.387 5.702 -14.257 734 H THR 100 H THR 100 -3.014 8.463 -11.236 735 HA THR 100 HA THR 100 -0.437 8.410 -9.856 736 HB THR 100 HB THR 100 -2.809 10.344 -9.715 737 HG1 THR 100 HG1 THR 100 -0.067 10.740 -10.604 738 HG21 THR 100 3HG2 THR 100 -0.114 10.419 -8.270 739 HG22 THR 100 1HG2 THR 100 -1.352 11.720 -8.256 740 HG23 THR 100 2HG2 THR 100 -1.716 10.127 -7.512 741 H VAL 101 H VAL 101 -0.232 7.559 -7.780 742 HA VAL 101 HA VAL 101 -2.728 6.534 -6.619 743 HB VAL 101 HB VAL 101 0.152 5.545 -6.299 744 HG11 VAL 101 1HG1 VAL 101 -0.877 3.635 -5.102 745 HG12 VAL 101 2HG1 VAL 101 -1.187 5.194 -4.266 746 HG13 VAL 101 3HG1 VAL 101 -2.485 4.423 -5.238 747 HG21 VAL 101 3HG2 VAL 101 -0.766 5.065 -8.526 748 HG22 VAL 101 1HG2 VAL 101 -0.634 3.562 -7.553 749 HG23 VAL 101 2HG2 VAL 101 -2.234 4.346 -7.781 750 H ARG 102 H ARG 102 -3.391 7.501 -4.728 751 HA ARG 102 HA ARG 102 -1.322 8.952 -3.216 752 HB2 ARG 102 2HB ARG 102 -2.831 10.515 -4.183 753 HB3 ARG 102 3HB ARG 102 -4.244 9.587 -3.664 754 HG2 ARG 102 2HG ARG 102 -3.746 10.072 -1.310 755 HG3 ARG 102 3HG ARG 102 -2.257 10.909 -1.767 756 HD2 ARG 102 2HD ARG 102 -5.051 11.740 -2.576 757 HD3 ARG 102 3HD ARG 102 -4.141 12.404 -1.213 758 HE ARG 102 HE ARG 102 -2.514 12.744 -3.453 759 HH11 ARG 102 1HH1 ARG 102 -5.732 13.779 -2.488 760 HH12 ARG 102 2HH1 ARG 102 -5.638 15.270 -3.365 761 HH21 ARG 102 1HH2 ARG 102 -2.414 14.652 -4.580 762 HH22 ARG 102 2HH2 ARG 102 -3.736 15.771 -4.566 763 H VAL 103 H VAL 103 -0.849 8.147 -1.221 764 HA VAL 103 HA VAL 103 -2.963 6.559 0.065 765 HB VAL 103 HB VAL 103 0.082 6.329 0.314 766 HG11 VAL 103 1HG1 VAL 103 -0.397 4.363 1.741 767 HG12 VAL 103 2HG1 VAL 103 -1.043 5.880 2.454 768 HG13 VAL 103 3HG1 VAL 103 -2.153 4.724 1.642 769 HG21 VAL 103 3HG2 VAL 103 -0.785 5.421 -1.797 770 HG22 VAL 103 1HG2 VAL 103 -0.247 4.100 -0.706 771 HG23 VAL 103 2HG2 VAL 103 -1.998 4.451 -0.897 772 H SER 104 H SER 104 -3.840 7.559 1.854 773 HA SER 104 HA SER 104 -2.028 9.282 3.428 774 HB2 SER 104 2HB SER 104 -5.052 9.327 3.036 775 HB3 SER 104 3HB SER 104 -4.210 10.261 4.279 776 HG SER 104 HG SER 104 -4.582 11.485 2.351 777 H PHE 105 H PHE 105 -1.611 8.705 5.539 778 HA PHE 105 HA PHE 105 -3.307 6.659 6.760 779 HB2 PHE 105 2HB PHE 105 -1.375 5.251 7.288 780 HB3 PHE 105 3HB PHE 105 -1.563 5.408 5.536 781 HD1 PHE 105 HD1 PHE 105 0.008 6.817 4.224 782 HD2 PHE 105 HD2 PHE 105 0.559 6.138 8.430 783 HE1 PHE 105 HE1 PHE 105 2.353 7.583 4.041 784 HE2 PHE 105 HE2 PHE 105 2.904 6.905 8.246 785 HZ PHE 105 HZ PHE 105 3.807 7.627 6.053 786 H VAL 106 H VAL 106 -2.885 6.429 9.125 787 HA VAL 106 HA VAL 106 -2.134 8.957 10.264 788 HB VAL 106 HB VAL 106 -2.976 6.295 11.521 789 HG11 VAL 106 1HG1 VAL 106 -3.343 7.616 13.584 790 HG12 VAL 106 2HG1 VAL 106 -1.619 7.627 13.080 791 HG13 VAL 106 3HG1 VAL 106 -2.653 9.063 12.773 792 HG21 VAL 106 3HG2 VAL 106 -4.731 7.333 10.152 793 HG22 VAL 106 1HG2 VAL 106 -5.133 7.446 11.899 794 HG23 VAL 106 2HG2 VAL 106 -4.511 8.887 11.026 795 H ALA 107 H ALA 107 -0.213 9.468 11.336 796 HA ALA 107 HA ALA 107 2.037 7.831 10.843 797 HB1 ALA 107 3HB ALA 107 1.625 10.209 12.720 798 HB2 ALA 107 1HB ALA 107 3.210 9.520 12.232 799 HB3 ALA 107 2HB ALA 107 2.146 10.285 11.003 800 H GLU 108 H GLU 108 3.143 6.346 12.116 801 HA GLU 108 HA GLU 108 1.707 5.318 14.387 802 HB2 GLU 108 2HB GLU 108 2.770 3.787 12.827 803 HB3 GLU 108 3HB GLU 108 4.332 4.594 13.012 804 HG2 GLU 108 2HG GLU 108 4.151 2.414 14.253 805 HG3 GLU 108 3HG GLU 108 4.587 3.787 15.279 806 H THR 109 H THR 109 2.109 5.692 16.553 807 HA THR 109 HA THR 109 3.695 7.908 17.208 808 HB THR 109 HB THR 109 3.168 7.289 19.562 809 HG1 THR 109 HG1 THR 109 2.685 4.813 18.301 810 HG21 THR 109 3HG2 THR 109 0.820 6.935 17.635 811 HG22 THR 109 1HG2 THR 109 0.699 7.370 19.373 812 HG23 THR 109 2HG2 THR 109 1.488 8.497 18.218 813 H GLU 110 H GLU 110 4.388 4.407 17.037 814 HA GLU 110 HA GLU 110 6.591 4.490 18.850 815 HB2 GLU 110 2HB GLU 110 5.671 2.503 16.722 816 HB3 GLU 110 3HB GLU 110 7.073 2.230 17.765 817 HG2 GLU 110 2HG GLU 110 5.620 2.335 19.776 818 HG3 GLU 110 3HG GLU 110 4.212 2.662 18.757 819 H TYR 111 H TYR 111 6.141 5.453 15.500 820 HA TYR 111 HA TYR 111 9.075 5.481 15.178 821 HB2 TYR 111 2HB TYR 111 6.880 4.884 13.136 822 HB3 TYR 111 3HB TYR 111 8.553 5.248 12.695 823 HD1 TYR 111 HD1 TYR 111 6.298 2.761 14.233 824 HD2 TYR 111 HD2 TYR 111 10.351 3.638 13.131 825 HE1 TYR 111 HE1 TYR 111 6.890 0.374 14.529 826 HE2 TYR 111 HE2 TYR 111 10.952 1.255 13.424 827 HH TYR 111 HH TYR 111 10.257 -0.772 13.951 828 HA PRO 112 HA PRO 112 8.752 9.847 14.479 829 HB2 PRO 112 2HB PRO 112 10.749 9.319 12.240 830 HB3 PRO 112 3HB PRO 112 10.894 10.442 13.599 831 HG2 PRO 112 2HG PRO 112 12.300 8.175 13.623 832 HG3 PRO 112 3HG PRO 112 11.539 8.738 15.117 833 HD2 PRO 112 2HD PRO 112 10.616 6.539 13.220 834 HD3 PRO 112 3HD PRO 112 10.611 6.552 14.988 835 H VAL 113 H VAL 113 7.660 11.312 13.244 836 HA VAL 113 HA VAL 113 5.899 10.378 11.339 837 HB VAL 113 HB VAL 113 7.055 13.163 11.841 838 HG11 VAL 113 1HG1 VAL 113 5.153 14.033 10.516 839 HG12 VAL 113 2HG1 VAL 113 6.260 13.031 9.518 840 HG13 VAL 113 3HG1 VAL 113 4.695 12.352 10.080 841 HG21 VAL 113 3HG2 VAL 113 5.752 12.202 13.690 842 HG22 VAL 113 1HG2 VAL 113 4.861 13.557 12.917 843 HG23 VAL 113 2HG2 VAL 113 4.391 11.858 12.569 844 H GLU 114 H GLU 114 9.173 11.931 10.905 845 HA GLU 114 HA GLU 114 9.023 12.027 8.092 846 HB2 GLU 114 2HB GLU 114 11.344 11.966 10.075 847 HB3 GLU 114 3HB GLU 114 11.571 12.153 8.331 848 HG2 GLU 114 2HG GLU 114 10.271 14.246 8.342 849 HG3 GLU 114 3HG GLU 114 9.893 14.039 10.058 850 H GLN 115 H GLN 115 10.061 9.458 10.416 851 HA GLN 115 HA GLN 115 11.402 7.877 8.516 852 HB2 GLN 115 2HB GLN 115 11.615 7.685 11.003 853 HB3 GLN 115 3HB GLN 115 9.949 7.098 11.096 854 HG2 GLN 115 2HG GLN 115 11.459 5.209 11.230 855 HG3 GLN 115 3HG GLN 115 10.572 5.125 9.702 856 HE21 GLN 115 1HE2 GLN 115 11.943 4.157 8.311 857 HE22 GLN 115 2HE2 GLN 115 13.563 4.668 7.974 858 H GLN 116 H GLN 116 7.937 7.979 9.619 859 HA GLN 116 HA GLN 116 7.183 5.723 8.063 860 HB2 GLN 116 2HB GLN 116 5.673 8.039 9.355 861 HB3 GLN 116 3HB GLN 116 4.851 6.778 8.426 862 HG2 GLN 116 2HG GLN 116 6.596 6.275 10.883 863 HG3 GLN 116 3HG GLN 116 4.832 6.396 10.903 864 HE21 GLN 116 1HE2 GLN 116 7.292 4.236 10.950 865 HE22 GLN 116 2HE2 GLN 116 6.531 2.865 10.215 866 H GLN 117 H GLN 117 7.209 9.314 7.495 867 HA GLN 117 HA GLN 117 5.736 9.327 5.147 868 HB2 GLN 117 2HB GLN 117 6.433 11.339 6.424 869 HB3 GLN 117 3HB GLN 117 8.124 11.044 5.997 870 HG2 GLN 117 2HG GLN 117 7.569 11.361 3.588 871 HG3 GLN 117 3HG GLN 117 5.880 11.658 4.017 872 HE21 GLN 117 1HE2 GLN 117 6.666 13.671 2.706 873 HE22 GLN 117 2HE2 GLN 117 7.198 15.017 3.657 874 H GLN 118 H GLN 118 9.337 8.885 5.617 875 HA GLN 118 HA GLN 118 9.812 8.768 2.815 876 HB2 GLN 118 2HB GLN 118 11.435 7.994 5.287 877 HB3 GLN 118 3HB GLN 118 12.063 7.841 3.641 878 HG2 GLN 118 2HG GLN 118 11.797 10.269 3.282 879 HG3 GLN 118 3HG GLN 118 11.080 10.450 4.888 880 HE21 GLN 118 1HE2 GLN 118 13.163 12.014 4.488 881 HE22 GLN 118 2HE2 GLN 118 14.599 11.437 5.266 882 H GLY 119 H GLY 119 9.309 6.280 5.425 883 HA2 GLY 119 2HA GLY 119 10.175 4.089 3.887 884 HA3 GLY 119 3HA GLY 119 9.135 4.048 5.317 885 H TRP 120 H TRP 120 6.852 5.520 4.405 886 HA TRP 120 HA TRP 120 5.554 3.492 2.906 887 HB2 TRP 120 2HB TRP 120 4.851 6.255 3.944 888 HB3 TRP 120 3HB TRP 120 3.766 5.444 2.806 889 HD1 TRP 120 HD1 TRP 120 5.383 4.800 6.310 890 HE1 TRP 120 HE1 TRP 120 3.770 3.310 7.673 891 HE3 TRP 120 HE3 TRP 120 1.844 3.925 2.688 892 HZ2 TRP 120 HZ2 TRP 120 1.341 1.947 7.280 893 HZ3 TRP 120 HZ3 TRP 120 -0.118 2.503 3.260 894 HH2 TRP 120 HH2 TRP 120 -0.371 1.542 5.497 895 H GLN 121 H GLN 121 6.963 6.731 2.062 896 HA GLN 121 HA GLN 121 6.008 6.766 -0.582 897 HB2 GLN 121 2HB GLN 121 6.967 8.721 0.627 898 HB3 GLN 121 3HB GLN 121 8.551 7.935 0.657 899 HG2 GLN 121 2HG GLN 121 8.545 9.571 -1.115 900 HG3 GLN 121 3HG GLN 121 8.589 7.961 -1.846 901 HE21 GLN 121 1HE2 GLN 121 7.416 7.935 -3.659 902 HE22 GLN 121 2HE2 GLN 121 5.867 8.676 -3.888 903 H ALA 122 H ALA 122 8.967 5.304 0.943 904 HA ALA 122 HA ALA 122 10.220 4.607 -1.472 905 HB1 ALA 122 3HB ALA 122 10.309 3.307 1.296 906 HB2 ALA 122 1HB ALA 122 11.478 3.016 -0.035 907 HB3 ALA 122 2HB ALA 122 11.358 4.644 0.715 908 H ILE 123 H ILE 123 7.653 2.970 0.479 909 HA ILE 123 HA ILE 123 7.760 0.546 -0.924 910 HB ILE 123 HB ILE 123 5.535 1.982 0.603 911 HG12 ILE 123 2HG1 ILE 123 7.145 -0.515 1.299 912 HG13 ILE 123 3HG1 ILE 123 7.618 1.115 1.794 913 HG21 ILE 123 1HG2 ILE 123 4.298 -0.160 0.550 914 HG22 ILE 123 2HG2 ILE 123 4.510 0.530 -1.095 915 HG23 ILE 123 3HG2 ILE 123 5.535 -0.843 -0.557 916 HD11 ILE 123 3HD1 ILE 123 5.003 -0.282 2.524 917 HD12 ILE 123 1HD1 ILE 123 6.424 -0.046 3.597 918 HD13 ILE 123 2HD1 ILE 123 5.484 1.374 3.027 919 H LEU 124 H LEU 124 5.796 3.585 -1.436 920 HA LEU 124 HA LEU 124 4.436 2.608 -3.715 921 HB2 LEU 124 2HB LEU 124 5.128 5.389 -2.670 922 HB3 LEU 124 3HB LEU 124 4.190 5.137 -4.148 923 HG LEU 124 HG LEU 124 3.395 4.195 -1.341 924 HD11 LEU 124 1HD1 LEU 124 1.612 5.884 -1.568 925 HD12 LEU 124 2HD1 LEU 124 3.242 6.632 -1.651 926 HD13 LEU 124 3HD1 LEU 124 2.288 6.389 -3.153 927 HD21 LEU 124 3HD2 LEU 124 2.641 2.646 -3.109 928 HD22 LEU 124 1HD2 LEU 124 1.260 3.567 -2.424 929 HD23 LEU 124 2HD2 LEU 124 1.938 4.022 -4.024 930 H ASN 125 H ASN 125 7.653 4.184 -3.241 931 HA ASN 125 HA ASN 125 8.137 4.653 -5.970 932 HB2 ASN 125 2HB ASN 125 9.975 4.192 -3.596 933 HB3 ASN 125 3HB ASN 125 10.563 4.585 -5.217 934 HD21 ASN 125 1HD2 ASN 125 11.190 6.185 -3.156 935 HD22 ASN 125 2HD2 ASN 125 10.409 7.719 -3.353 936 H ASN 126 H ASN 126 8.699 1.767 -3.831 937 HA ASN 126 HA ASN 126 9.985 0.242 -5.826 938 HB2 ASN 126 2HB ASN 126 8.439 -0.450 -3.311 939 HB3 ASN 126 3HB ASN 126 9.107 -1.695 -4.376 940 HD21 ASN 126 1HD2 ASN 126 9.780 -1.235 -1.665 941 HD22 ASN 126 2HD2 ASN 126 11.482 -0.917 -1.624 942 H PHE 127 H PHE 127 6.500 0.776 -4.968 943 HA PHE 127 HA PHE 127 5.404 -1.122 -6.688 944 HB2 PHE 127 2HB PHE 127 4.150 0.176 -4.981 945 HB3 PHE 127 3HB PHE 127 4.411 1.663 -5.901 946 HD1 PHE 127 HD1 PHE 127 4.004 -0.914 -8.256 947 HD2 PHE 127 HD2 PHE 127 1.763 1.479 -5.481 948 HE1 PHE 127 HE1 PHE 127 1.937 -1.349 -9.547 949 HE2 PHE 127 HE2 PHE 127 -0.303 1.041 -6.772 950 HZ PHE 127 HZ PHE 127 -0.218 -0.377 -8.806 951 H LYS 128 H LYS 128 6.479 2.304 -7.327 952 HA LYS 128 HA LYS 128 5.665 2.388 -9.996 953 HB2 LYS 128 2HB LYS 128 6.394 4.341 -8.653 954 HB3 LYS 128 3HB LYS 128 8.041 3.699 -8.589 955 HG2 LYS 128 2HG LYS 128 8.295 3.963 -11.017 956 HG3 LYS 128 3HG LYS 128 6.602 4.446 -11.182 957 HD2 LYS 128 2HD LYS 128 7.057 6.425 -9.678 958 HD3 LYS 128 3HD LYS 128 8.762 5.958 -9.619 959 HE2 LYS 128 2HE LYS 128 7.313 6.437 -12.263 960 HE3 LYS 128 3HE LYS 128 8.056 7.760 -11.355 961 HZ1 LYS 128 3HZ LYS 128 9.430 5.385 -12.431 962 HZ2 LYS 128 1HZ LYS 128 9.609 6.933 -12.918 963 HZ3 LYS 128 2HZ LYS 128 10.147 6.472 -11.447 964 H ARG 129 H ARG 129 8.802 1.257 -8.512 965 HA ARG 129 HA ARG 129 10.053 0.722 -10.957 966 HB2 ARG 129 2HB ARG 129 10.476 -0.522 -8.229 967 HB3 ARG 129 3HB ARG 129 11.531 -0.754 -9.629 968 HG2 ARG 129 2HG ARG 129 10.932 1.914 -8.280 969 HG3 ARG 129 3HG ARG 129 12.388 0.941 -8.038 970 HD2 ARG 129 2HD ARG 129 12.818 1.150 -10.512 971 HD3 ARG 129 3HD ARG 129 11.483 2.309 -10.575 972 HE ARG 129 HE ARG 129 13.412 3.057 -8.579 973 HH11 ARG 129 1HH1 ARG 129 12.895 3.032 -12.056 974 HH12 ARG 129 2HH1 ARG 129 13.904 4.413 -12.330 975 HH21 ARG 129 1HH2 ARG 129 14.710 4.817 -8.948 976 HH22 ARG 129 2HH2 ARG 129 14.947 5.438 -10.548 977 H HIS 130 H HIS 130 7.794 -1.245 -8.927 978 HA HIS 130 HA HIS 130 8.076 -3.645 -10.325 979 HB2 HIS 130 2HB HIS 130 6.874 -3.404 -8.178 980 HB3 HIS 130 3HB HIS 130 5.644 -2.397 -8.954 981 HD2 HIS 130 HD2 HIS 130 3.658 -3.797 -10.353 982 HE1 HIS 130 HE1 HIS 130 5.211 -7.708 -9.565 983 H VAL 131 H VAL 131 5.869 -0.795 -10.924 984 HA VAL 131 HA VAL 131 4.586 -1.914 -13.127 985 HB VAL 131 HB VAL 131 5.202 0.977 -12.350 986 HG11 VAL 131 1HG1 VAL 131 3.478 1.637 -14.000 987 HG12 VAL 131 2HG1 VAL 131 4.889 0.853 -14.786 988 HG13 VAL 131 3HG1 VAL 131 3.364 -0.067 -14.555 989 HG21 VAL 131 3HG2 VAL 131 3.728 -0.249 -10.812 990 HG22 VAL 131 1HG2 VAL 131 2.810 1.003 -11.713 991 HG23 VAL 131 2HG2 VAL 131 2.671 -0.725 -12.183 992 H GLU 132 H GLU 132 7.703 -0.075 -12.834 993 HA GLU 132 HA GLU 132 8.040 0.390 -15.582 994 HB2 GLU 132 2HB GLU 132 9.950 0.148 -13.217 995 HB3 GLU 132 3HB GLU 132 10.518 0.515 -14.851 996 HG2 GLU 132 2HG GLU 132 9.122 2.562 -14.903 997 HG3 GLU 132 3HG GLU 132 8.479 2.185 -13.299 998 H SER 133 H SER 133 8.605 -2.507 -13.549 999 HA SER 133 HA SER 133 10.293 -3.792 -15.474 1000 HB2 SER 133 2HB SER 133 10.148 -5.669 -14.008 1001 HB3 SER 133 3HB SER 133 10.232 -4.231 -12.982 1002 HG SER 133 HG SER 133 7.681 -4.489 -13.306 1003 H HIS 134 H HIS 134 6.866 -3.161 -15.289 1004 HA HIS 134 HA HIS 134 6.250 -5.461 -16.982 1005 HB2 HIS 134 2HB HIS 134 4.559 -3.237 -15.742 1006 HB3 HIS 134 3HB HIS 134 3.910 -4.462 -16.841 1007 HD2 HIS 134 HD2 HIS 134 4.302 -3.977 -13.129 1008 HE1 HIS 134 HE1 HIS 134 4.202 -8.218 -13.709 1009 H LEU 135 H LEU 135 7.891 -2.728 -17.619 1010 HA LEU 135 HA LEU 135 6.398 -2.021 -20.030 1011 HB2 LEU 135 2HB LEU 135 9.087 -1.032 -18.962 1012 HB3 LEU 135 3HB LEU 135 8.174 -0.340 -20.309 1013 HG LEU 135 HG LEU 135 7.239 -0.396 -17.391 1014 HD11 LEU 135 1HD1 LEU 135 7.655 2.035 -17.468 1015 HD12 LEU 135 2HD1 LEU 135 9.161 1.099 -17.752 1016 HD13 LEU 135 3HD1 LEU 135 8.311 1.872 -19.132 1017 HD21 LEU 135 3HD2 LEU 135 5.386 -0.489 -19.019 1018 HD22 LEU 135 1HD2 LEU 135 5.459 1.113 -18.211 1019 HD23 LEU 135 2HD2 LEU 135 6.071 0.924 -19.889 1020 H GLU 136 H GLU 136 9.211 -1.439 -21.282 1021 HA GLU 136 HA GLU 136 9.004 -3.708 -22.968 1022 HB2 GLU 136 2HB GLU 136 9.654 -1.345 -23.624 1023 HB3 GLU 136 3HB GLU 136 11.205 -1.596 -22.813 1024 HG2 GLU 136 2HG GLU 136 11.760 -3.435 -24.365 1025 HG3 GLU 136 3HG GLU 136 10.174 -3.298 -25.136 1026 H HIS 137 H HIS 137 9.374 -5.498 -21.383 1027 HA HIS 137 HA HIS 137 11.800 -5.796 -20.017 1028 HB2 HIS 137 2HB HIS 137 9.628 -7.090 -19.697 1029 HB3 HIS 137 3HB HIS 137 10.008 -7.985 -21.174 1030 HD2 HIS 137 HD2 HIS 137 10.875 -8.033 -17.407 1031 HE1 HIS 137 HE1 HIS 137 13.466 -10.838 -19.345 1032 H HIS 138 H HIS 138 13.787 -6.783 -20.556 1033 HA HIS 138 HA HIS 138 14.118 -7.309 -23.442 1034 HB2 HIS 138 2HB HIS 138 16.122 -6.264 -21.382 1035 HB3 HIS 138 3HB HIS 138 16.499 -6.648 -23.067 1036 HD2 HIS 138 HD2 HIS 138 14.986 -3.753 -20.963 1037 HE1 HIS 138 HE1 HIS 138 14.667 -2.666 -25.091 Start of MODEL 20 1 H1 MET 1 1H MET 1 -0.681 12.653 14.697 2 H2 MET 1 2H MET 1 -1.767 11.887 13.748 3 H3 MET 1 3H MET 1 -0.351 11.164 14.115 4 HA MET 1 HA MET 1 -0.559 13.664 12.634 5 HB2 MET 1 2HB MET 1 1.707 11.658 13.047 6 HB3 MET 1 3HB MET 1 1.777 13.040 11.946 7 HG2 MET 1 2HG MET 1 1.388 13.213 14.974 8 HG3 MET 1 3HG MET 1 2.918 13.462 14.122 9 HE1 MET 1 3HE MET 1 2.053 15.307 11.483 10 HE2 MET 1 1HE MET 1 2.553 16.813 12.324 11 HE3 MET 1 2HE MET 1 3.476 15.293 12.578 12 H ASN 2 H ASN 2 -1.539 13.486 10.662 13 HA ASN 2 HA ASN 2 -1.641 10.842 9.432 14 HB2 ASN 2 2HB ASN 2 -3.024 13.470 8.785 15 HB3 ASN 2 3HB ASN 2 -3.185 11.996 7.822 16 HD21 ASN 2 1HD2 ASN 2 -4.594 13.806 10.137 17 HD22 ASN 2 2HD2 ASN 2 -5.619 12.607 10.852 18 H ILE 3 H ILE 3 -0.423 10.274 7.645 19 HA ILE 3 HA ILE 3 1.155 12.438 6.444 20 HB ILE 3 HB ILE 3 1.620 9.413 6.525 21 HG12 ILE 3 2HG1 ILE 3 3.237 11.685 7.767 22 HG13 ILE 3 3HG1 ILE 3 2.021 10.750 8.647 23 HG21 ILE 3 1HG2 ILE 3 3.778 9.918 5.426 24 HG22 ILE 3 2HG2 ILE 3 2.380 10.373 4.395 25 HG23 ILE 3 3HG2 ILE 3 3.295 11.642 5.278 26 HD11 ILE 3 3HD1 ILE 3 4.536 9.621 7.339 27 HD12 ILE 3 1HD1 ILE 3 4.281 9.906 9.094 28 HD13 ILE 3 2HD1 ILE 3 3.302 8.671 8.233 29 H THR 4 H THR 4 0.829 12.957 4.285 30 HA THR 4 HA THR 4 -0.799 11.052 2.745 31 HB THR 4 HB THR 4 -0.663 14.107 2.547 32 HG1 THR 4 HG1 THR 4 -2.944 12.417 3.132 33 HG21 THR 4 3HG2 THR 4 -2.286 12.072 0.941 34 HG22 THR 4 1HG2 THR 4 -2.436 13.858 0.833 35 HG23 THR 4 2HG2 THR 4 -0.912 13.053 0.329 36 H VAL 5 H VAL 5 0.067 10.316 0.800 37 HA VAL 5 HA VAL 5 2.342 11.819 -0.266 38 HB VAL 5 HB VAL 5 3.478 9.647 -0.774 39 HG11 VAL 5 1HG1 VAL 5 4.263 9.191 1.529 40 HG12 VAL 5 2HG1 VAL 5 4.131 10.952 1.204 41 HG13 VAL 5 3HG1 VAL 5 2.874 10.123 2.182 42 HG21 VAL 5 3HG2 VAL 5 1.504 8.184 -0.743 43 HG22 VAL 5 1HG2 VAL 5 2.751 7.598 0.409 44 HG23 VAL 5 2HG2 VAL 5 1.304 8.469 1.019 45 H GLU 6 H GLU 6 2.812 11.205 -2.615 46 HA GLU 6 HA GLU 6 0.519 9.950 -3.942 47 HB2 GLU 6 2HB GLU 6 1.683 12.704 -4.579 48 HB3 GLU 6 3HB GLU 6 0.612 11.805 -5.662 49 HG2 GLU 6 2HG GLU 6 -1.179 11.843 -3.923 50 HG3 GLU 6 3HG GLU 6 -0.108 12.741 -2.839 51 H THR 7 H THR 7 1.094 8.727 -5.756 52 HA THR 7 HA THR 7 3.765 9.198 -6.842 53 HB THR 7 HB THR 7 2.634 6.453 -6.086 54 HG1 THR 7 HG1 THR 7 5.077 6.892 -5.056 55 HG21 THR 7 3HG2 THR 7 5.263 7.242 -7.431 56 HG22 THR 7 1HG2 THR 7 4.805 5.588 -6.903 57 HG23 THR 7 2HG2 THR 7 3.883 6.401 -8.213 58 H THR 8 H THR 8 3.763 9.208 -9.095 59 HA THR 8 HA THR 8 1.245 8.362 -10.339 60 HB THR 8 HB THR 8 3.403 10.327 -11.271 61 HG1 THR 8 HG1 THR 8 1.615 11.850 -10.994 62 HG21 THR 8 3HG2 THR 8 0.764 9.508 -12.580 63 HG22 THR 8 1HG2 THR 8 1.857 10.817 -13.144 64 HG23 THR 8 2HG2 THR 8 2.411 9.109 -13.174 65 H VAL 9 H VAL 9 1.280 6.558 -11.654 66 HA VAL 9 HA VAL 9 3.927 5.714 -12.616 67 HB VAL 9 HB VAL 9 3.132 3.365 -12.360 68 HG11 VAL 9 1HG1 VAL 9 3.286 3.259 -9.890 69 HG12 VAL 9 2HG1 VAL 9 4.486 4.399 -10.587 70 HG13 VAL 9 3HG1 VAL 9 2.999 5.030 -9.802 71 HG21 VAL 9 3HG2 VAL 9 0.714 3.772 -12.517 72 HG22 VAL 9 1HG2 VAL 9 1.117 2.898 -11.000 73 HG23 VAL 9 2HG2 VAL 9 0.748 4.655 -10.954 74 H ALA 10 H ALA 10 3.981 4.692 -14.726 75 HA ALA 10 HA ALA 10 1.755 5.466 -16.416 76 HB1 ALA 10 3HB ALA 10 4.445 4.133 -17.001 77 HB2 ALA 10 1HB ALA 10 3.271 4.710 -18.232 78 HB3 ALA 10 2HB ALA 10 4.072 5.885 -17.136 79 H ALA 11 H ALA 11 0.197 3.911 -15.317 80 HA ALA 11 HA ALA 11 0.174 1.446 -16.826 81 HB1 ALA 11 3HB ALA 11 0.292 1.454 -13.768 82 HB2 ALA 11 1HB ALA 11 -0.081 0.031 -14.798 83 HB3 ALA 11 2HB ALA 11 1.541 0.799 -14.880 84 HA PRO 12 HA PRO 12 -4.146 2.271 -16.634 85 HB2 PRO 12 2HB PRO 12 -5.126 -0.330 -16.925 86 HB3 PRO 12 3HB PRO 12 -4.421 0.554 -18.284 87 HG2 PRO 12 2HG PRO 12 -3.118 -1.497 -16.461 88 HG3 PRO 12 3HG PRO 12 -3.035 -1.367 -18.223 89 HD2 PRO 12 2HD PRO 12 -0.998 -0.449 -16.689 90 HD3 PRO 12 3HD PRO 12 -1.469 0.423 -18.154 91 H VAL 13 H VAL 13 -6.039 2.180 -15.358 92 HA VAL 13 HA VAL 13 -5.315 2.302 -12.694 93 HB VAL 13 HB VAL 13 -8.054 2.078 -14.034 94 HG11 VAL 13 1HG1 VAL 13 -8.988 2.948 -11.912 95 HG12 VAL 13 2HG1 VAL 13 -8.222 1.338 -11.696 96 HG13 VAL 13 3HG1 VAL 13 -7.367 2.820 -11.152 97 HG21 VAL 13 3HG2 VAL 13 -6.744 4.063 -14.652 98 HG22 VAL 13 1HG2 VAL 13 -8.138 4.516 -13.614 99 HG23 VAL 13 2HG2 VAL 13 -6.484 4.448 -12.917 100 H GLY 14 H GLY 14 -6.863 -0.386 -14.585 101 HA2 GLY 14 2HA GLY 14 -7.755 -1.878 -12.388 102 HA3 GLY 14 3HA GLY 14 -7.397 -2.484 -14.011 103 H LYS 15 H LYS 15 -4.593 -2.003 -14.227 104 HA LYS 15 HA LYS 15 -3.612 -4.184 -12.704 105 HB2 LYS 15 2HB LYS 15 -2.308 -2.072 -14.477 106 HB3 LYS 15 3HB LYS 15 -1.390 -3.365 -13.696 107 HG2 LYS 15 2HG LYS 15 -2.833 -5.059 -14.881 108 HG3 LYS 15 3HG LYS 15 -3.662 -3.736 -15.711 109 HD2 LYS 15 2HD LYS 15 -1.460 -2.974 -16.662 110 HD3 LYS 15 3HD LYS 15 -0.658 -4.333 -15.862 111 HE2 LYS 15 2HE LYS 15 -2.092 -5.936 -17.136 112 HE3 LYS 15 3HE LYS 15 -2.908 -4.582 -17.929 113 HZ1 LYS 15 3HZ LYS 15 -0.029 -5.194 -18.143 114 HZ2 LYS 15 1HZ LYS 15 -1.155 -5.478 -19.291 115 HZ3 LYS 15 2HZ LYS 15 -0.782 -3.944 -18.875 116 H VAL 16 H VAL 16 -3.385 -0.579 -12.382 117 HA VAL 16 HA VAL 16 -1.381 -0.601 -10.434 118 HB VAL 16 HB VAL 16 -3.621 1.366 -11.101 119 HG11 VAL 16 1HG1 VAL 16 -2.423 3.011 -9.692 120 HG12 VAL 16 2HG1 VAL 16 -3.039 1.627 -8.727 121 HG13 VAL 16 3HG1 VAL 16 -1.296 1.721 -9.152 122 HG21 VAL 16 3HG2 VAL 16 -1.887 1.077 -12.816 123 HG22 VAL 16 1HG2 VAL 16 -1.760 2.694 -12.046 124 HG23 VAL 16 2HG2 VAL 16 -0.608 1.392 -11.595 125 H TRP 17 H TRP 17 -5.024 -0.584 -10.153 126 HA TRP 17 HA TRP 17 -5.018 -0.436 -7.334 127 HB2 TRP 17 2HB TRP 17 -6.939 0.153 -8.828 128 HB3 TRP 17 3HB TRP 17 -7.106 -1.550 -9.275 129 HD1 TRP 17 HD1 TRP 17 -7.713 0.873 -6.331 130 HE1 TRP 17 HE1 TRP 17 -9.276 -0.274 -4.619 131 HE3 TRP 17 HE3 TRP 17 -7.821 -3.839 -8.376 132 HZ2 TRP 17 HZ2 TRP 17 -10.400 -2.815 -4.187 133 HZ3 TRP 17 HZ3 TRP 17 -9.175 -5.596 -7.248 134 HH2 TRP 17 HH2 TRP 17 -10.439 -5.102 -5.211 135 H ARG 18 H ARG 18 -5.153 -3.238 -9.661 136 HA ARG 18 HA ARG 18 -5.661 -5.136 -7.638 137 HB2 ARG 18 2HB ARG 18 -4.656 -5.330 -10.476 138 HB3 ARG 18 3HB ARG 18 -4.792 -6.748 -9.428 139 HG2 ARG 18 2HG ARG 18 -7.214 -6.274 -9.110 140 HG3 ARG 18 3HG ARG 18 -7.074 -4.865 -10.169 141 HD2 ARG 18 2HD ARG 18 -6.437 -6.294 -12.032 142 HD3 ARG 18 3HD ARG 18 -6.483 -7.717 -10.984 143 HE ARG 18 HE ARG 18 -9.013 -6.465 -10.862 144 HH11 ARG 18 1HH1 ARG 18 -7.012 -8.121 -13.230 145 HH12 ARG 18 2HH1 ARG 18 -8.368 -8.748 -14.107 146 HH21 ARG 18 1HH2 ARG 18 -10.740 -7.264 -12.004 147 HH22 ARG 18 2HH2 ARG 18 -10.509 -8.255 -13.405 148 H ALA 19 H ALA 19 -2.606 -3.871 -9.135 149 HA ALA 19 HA ALA 19 -0.936 -5.764 -7.837 150 HB1 ALA 19 3HB ALA 19 -0.378 -2.975 -8.959 151 HB2 ALA 19 1HB ALA 19 0.864 -4.189 -8.502 152 HB3 ALA 19 2HB ALA 19 -0.265 -4.526 -9.857 153 H TYR 20 H TYR 20 -2.334 -2.593 -6.865 154 HA TYR 20 HA TYR 20 -0.495 -2.042 -4.816 155 HB2 TYR 20 2HB TYR 20 -2.067 -0.396 -5.815 156 HB3 TYR 20 3HB TYR 20 -3.440 -1.281 -5.136 157 HD1 TYR 20 HD1 TYR 20 -0.278 0.478 -4.102 158 HD2 TYR 20 HD2 TYR 20 -4.252 -0.721 -3.004 159 HE1 TYR 20 HE1 TYR 20 -0.098 1.802 -2.020 160 HE2 TYR 20 HE2 TYR 20 -4.077 0.601 -0.920 161 HH TYR 20 HH TYR 20 -2.425 1.521 0.553 162 H THR 21 H THR 21 -3.130 -4.392 -5.035 163 HA THR 21 HA THR 21 -2.808 -4.864 -2.156 164 HB THR 21 HB THR 21 -5.214 -5.568 -2.106 165 HG1 THR 21 HG1 THR 21 -5.276 -4.351 -4.752 166 HG21 THR 21 3HG2 THR 21 -4.735 -2.713 -3.093 167 HG22 THR 21 1HG2 THR 21 -6.180 -3.287 -2.195 168 HG23 THR 21 2HG2 THR 21 -4.569 -3.291 -1.401 169 H THR 22 H THR 22 -1.497 -6.106 -4.647 170 HA THR 22 HA THR 22 -2.412 -8.837 -4.212 171 HB THR 22 HB THR 22 -0.207 -7.664 -5.984 172 HG1 THR 22 HG1 THR 22 -2.229 -7.198 -6.869 173 HG21 THR 22 3HG2 THR 22 -1.271 -10.523 -5.762 174 HG22 THR 22 1HG2 THR 22 -0.091 -9.930 -6.980 175 HG23 THR 22 2HG2 THR 22 0.349 -9.950 -5.239 176 HA PRO 23 HA PRO 23 0.456 -9.172 -0.835 177 HB2 PRO 23 2HB PRO 23 0.285 -11.968 -0.612 178 HB3 PRO 23 3HB PRO 23 -0.954 -10.887 0.038 179 HG2 PRO 23 2HG PRO 23 -0.918 -12.378 -2.606 180 HG3 PRO 23 3HG PRO 23 -2.246 -12.192 -1.453 181 HD2 PRO 23 2HD PRO 23 -2.172 -10.655 -3.675 182 HD3 PRO 23 3HD PRO 23 -2.710 -9.952 -2.143 183 H GLU 24 H GLU 24 0.847 -11.325 -3.719 184 HA GLU 24 HA GLU 24 3.528 -11.947 -3.197 185 HB2 GLU 24 2HB GLU 24 1.916 -11.668 -5.773 186 HB3 GLU 24 3HB GLU 24 3.589 -12.240 -5.740 187 HG2 GLU 24 2HG GLU 24 2.947 -14.160 -4.331 188 HG3 GLU 24 3HG GLU 24 1.284 -13.565 -4.229 189 H ASP 25 H ASP 25 1.982 -9.072 -4.773 190 HA ASP 25 HA ASP 25 4.481 -7.955 -5.583 191 HB2 ASP 25 2HB ASP 25 1.646 -6.881 -5.254 192 HB3 ASP 25 3HB ASP 25 2.994 -5.849 -5.750 193 H ILE 26 H ILE 26 2.330 -7.633 -2.675 194 HA ILE 26 HA ILE 26 3.622 -5.432 -1.577 195 HB ILE 26 HB ILE 26 2.096 -7.776 -0.345 196 HG12 ILE 26 2HG1 ILE 26 1.340 -4.835 -0.631 197 HG13 ILE 26 3HG1 ILE 26 0.952 -6.057 -1.849 198 HG21 ILE 26 1HG2 ILE 26 2.000 -6.462 1.746 199 HG22 ILE 26 2HG2 ILE 26 3.683 -6.933 1.329 200 HG23 ILE 26 3HG2 ILE 26 3.120 -5.253 1.034 201 HD11 ILE 26 3HD1 ILE 26 0.041 -6.092 1.063 202 HD12 ILE 26 1HD1 ILE 26 -0.958 -5.653 -0.363 203 HD13 ILE 26 2HD1 ILE 26 -0.352 -7.333 -0.173 204 H LYS 27 H LYS 27 4.349 -8.983 -1.354 205 HA LYS 27 HA LYS 27 6.294 -8.817 0.641 206 HB2 LYS 27 2HB LYS 27 5.290 -10.920 -0.133 207 HB3 LYS 27 3HB LYS 27 5.988 -10.700 -1.744 208 HG2 LYS 27 2HG LYS 27 8.272 -10.915 -0.815 209 HG3 LYS 27 3HG LYS 27 7.616 -11.052 0.822 210 HD2 LYS 27 2HD LYS 27 6.377 -13.122 0.154 211 HD3 LYS 27 3HD LYS 27 7.026 -12.983 -1.485 212 HE2 LYS 27 2HE LYS 27 9.354 -13.160 -0.574 213 HE3 LYS 27 3HE LYS 27 8.699 -13.309 1.062 214 HZ1 LYS 27 3HZ LYS 27 8.182 -15.187 -1.154 215 HZ2 LYS 27 1HZ LYS 27 9.186 -15.449 0.106 216 HZ3 LYS 27 2HZ LYS 27 7.577 -15.325 0.356 217 H GLN 28 H GLN 28 6.405 -7.962 -2.837 218 HA GLN 28 HA GLN 28 9.294 -8.094 -2.889 219 HB2 GLN 28 2HB GLN 28 7.170 -7.193 -4.896 220 HB3 GLN 28 3HB GLN 28 8.906 -7.155 -5.229 221 HG2 GLN 28 2HG GLN 28 9.050 -9.600 -4.938 222 HG3 GLN 28 3HG GLN 28 7.338 -9.673 -4.499 223 HE21 GLN 28 1HE2 GLN 28 7.981 -11.262 -6.503 224 HE22 GLN 28 2HE2 GLN 28 7.487 -10.636 -8.041 225 H TRP 29 H TRP 29 6.707 -5.617 -2.514 226 HA TRP 29 HA TRP 29 8.473 -3.451 -3.170 227 HB2 TRP 29 2HB TRP 29 5.707 -3.518 -1.865 228 HB3 TRP 29 3HB TRP 29 6.531 -2.063 -2.441 229 HD1 TRP 29 HD1 TRP 29 7.516 -4.224 -5.078 230 HE1 TRP 29 HE1 TRP 29 5.849 -4.261 -7.054 231 HE3 TRP 29 HE3 TRP 29 3.425 -2.204 -2.715 232 HZ2 TRP 29 HZ2 TRP 29 3.176 -3.542 -7.553 233 HZ3 TRP 29 HZ3 TRP 29 1.324 -1.902 -4.017 234 HH2 TRP 29 HH2 TRP 29 1.195 -2.556 -6.374 235 H ASN 30 H ASN 30 8.175 -5.463 -0.406 236 HA ASN 30 HA ASN 30 8.442 -3.948 1.776 237 HB2 ASN 30 2HB ASN 30 8.718 -6.340 1.829 238 HB3 ASN 30 3HB ASN 30 10.197 -6.252 0.863 239 HD21 ASN 30 1HD2 ASN 30 11.107 -7.484 2.602 240 HD22 ASN 30 2HD2 ASN 30 11.773 -6.642 3.962 241 H ALA 31 H ALA 31 9.706 -2.249 2.501 242 HA ALA 31 HA ALA 31 11.637 -1.283 0.531 243 HB1 ALA 31 3HB ALA 31 10.293 0.037 2.940 244 HB2 ALA 31 1HB ALA 31 11.383 0.853 1.770 245 HB3 ALA 31 2HB ALA 31 9.801 0.205 1.221 246 H ALA 32 H ALA 32 11.769 -3.230 3.282 247 HA ALA 32 HA ALA 32 13.974 -1.836 4.559 248 HB1 ALA 32 3HB ALA 32 12.586 -4.500 5.132 249 HB2 ALA 32 1HB ALA 32 13.832 -3.724 6.166 250 HB3 ALA 32 2HB ALA 32 12.241 -2.927 5.927 251 H SER 33 H SER 33 15.603 -3.943 5.427 252 HA SER 33 HA SER 33 17.318 -4.231 3.232 253 HB2 SER 33 2HB SER 33 18.112 -4.263 5.527 254 HB3 SER 33 3HB SER 33 17.109 -5.668 5.913 255 HG SER 33 HG SER 33 19.476 -5.983 5.380 256 H ASP 34 H ASP 34 17.551 -5.780 1.637 257 HA ASP 34 HA ASP 34 15.579 -7.837 1.401 258 HB2 ASP 34 2HB ASP 34 18.148 -7.140 -0.088 259 HB3 ASP 34 3HB ASP 34 17.161 -8.548 -0.503 260 H ASP 35 H ASP 35 18.180 -7.580 3.524 261 HA ASP 35 HA ASP 35 18.973 -10.398 3.141 262 HB2 ASP 35 2HB ASP 35 20.531 -8.047 4.322 263 HB3 ASP 35 3HB ASP 35 21.107 -9.716 4.231 264 H TRP 36 H TRP 36 18.224 -7.794 5.582 265 HA TRP 36 HA TRP 36 18.403 -9.879 7.654 266 HB2 TRP 36 2HB TRP 36 18.684 -6.837 7.737 267 HB3 TRP 36 3HB TRP 36 18.591 -7.848 9.185 268 HD1 TRP 36 HD1 TRP 36 21.006 -6.691 6.487 269 HE1 TRP 36 HE1 TRP 36 23.361 -7.651 6.961 270 HE3 TRP 36 HE3 TRP 36 19.781 -10.027 10.198 271 HZ2 TRP 36 HZ2 TRP 36 24.543 -9.551 8.665 272 HZ3 TRP 36 HZ3 TRP 36 21.595 -11.394 11.217 273 HH2 TRP 36 HH2 TRP 36 23.918 -11.164 10.479 274 H HIS 37 H HIS 37 16.063 -8.595 5.711 275 HA HIS 37 HA HIS 37 14.104 -8.703 7.906 276 HB2 HIS 37 2HB HIS 37 14.580 -6.329 7.063 277 HB3 HIS 37 3HB HIS 37 13.941 -6.835 5.494 278 HD2 HIS 37 HD2 HIS 37 12.640 -5.989 9.107 279 HE1 HIS 37 HE1 HIS 37 9.264 -6.610 6.550 280 H THR 38 H THR 38 12.551 -10.251 7.556 281 HA THR 38 HA THR 38 12.180 -11.105 4.772 282 HB THR 38 HB THR 38 11.629 -12.577 7.403 283 HG1 THR 38 HG1 THR 38 13.337 -13.975 6.558 284 HG21 THR 38 3HG2 THR 38 11.276 -13.479 4.502 285 HG22 THR 38 1HG2 THR 38 11.079 -14.513 5.958 286 HG23 THR 38 2HG2 THR 38 9.959 -13.138 5.674 287 H THR 39 H THR 39 10.114 -10.981 3.840 288 HA THR 39 HA THR 39 7.991 -10.036 5.635 289 HB THR 39 HB THR 39 8.663 -9.052 2.812 290 HG1 THR 39 HG1 THR 39 8.560 -6.978 4.313 291 HG21 THR 39 3HG2 THR 39 6.355 -8.310 4.677 292 HG22 THR 39 1HG2 THR 39 6.739 -7.519 3.111 293 HG23 THR 39 2HG2 THR 39 6.224 -9.239 3.146 294 H ALA 40 H ALA 40 5.956 -11.027 5.339 295 HA ALA 40 HA ALA 40 5.406 -12.127 2.696 296 HB1 ALA 40 3HB ALA 40 5.092 -13.704 5.299 297 HB2 ALA 40 1HB ALA 40 4.476 -14.207 3.689 298 HB3 ALA 40 2HB ALA 40 6.244 -14.064 3.969 299 H ALA 41 H ALA 41 3.177 -12.059 2.132 300 HA ALA 41 HA ALA 41 1.399 -10.925 4.176 301 HB1 ALA 41 3HB ALA 41 1.895 -9.785 1.382 302 HB2 ALA 41 1HB ALA 41 0.616 -9.248 2.522 303 HB3 ALA 41 2HB ALA 41 2.347 -9.017 2.942 304 H THR 42 H THR 42 -0.816 -11.494 3.917 305 HA THR 42 HA THR 42 -1.477 -12.738 1.347 306 HB THR 42 HB THR 42 -2.424 -13.665 4.111 307 HG1 THR 42 HG1 THR 42 -1.302 -15.637 3.448 308 HG21 THR 42 3HG2 THR 42 -3.100 -14.685 1.307 309 HG22 THR 42 1HG2 THR 42 -3.616 -15.438 2.854 310 HG23 THR 42 2HG2 THR 42 -4.209 -13.802 2.410 311 H VAL 43 H VAL 43 -3.370 -11.922 0.407 312 HA VAL 43 HA VAL 43 -4.924 -10.096 2.098 313 HB VAL 43 HB VAL 43 -3.885 -9.534 -0.727 314 HG11 VAL 43 1HG1 VAL 43 -4.913 -7.304 -0.411 315 HG12 VAL 43 2HG1 VAL 43 -6.136 -8.619 -0.352 316 HG13 VAL 43 3HG1 VAL 43 -5.580 -7.841 1.168 317 HG21 VAL 43 3HG2 VAL 43 -2.125 -9.328 0.973 318 HG22 VAL 43 1HG2 VAL 43 -2.604 -7.713 0.351 319 HG23 VAL 43 2HG2 VAL 43 -3.184 -8.264 1.959 320 H ASP 44 H ASP 44 -7.139 -10.439 1.904 321 HA ASP 44 HA ASP 44 -8.092 -11.805 -0.507 322 HB2 ASP 44 2HB ASP 44 -8.875 -12.583 1.720 323 HB3 ASP 44 3HB ASP 44 -9.497 -10.966 2.075 324 H LEU 45 H LEU 45 -8.583 -10.522 -2.253 325 HA LEU 45 HA LEU 45 -8.742 -7.670 -1.801 326 HB2 LEU 45 2HB LEU 45 -8.709 -9.459 -4.275 327 HB3 LEU 45 3HB LEU 45 -8.875 -7.701 -4.361 328 HG LEU 45 HG LEU 45 -6.649 -7.516 -3.111 329 HD11 LEU 45 1HD1 LEU 45 -5.199 -9.510 -3.128 330 HD12 LEU 45 2HD1 LEU 45 -6.658 -9.765 -2.112 331 HD13 LEU 45 3HD1 LEU 45 -6.563 -10.500 -3.747 332 HD21 LEU 45 3HD2 LEU 45 -6.867 -7.215 -5.552 333 HD22 LEU 45 1HD2 LEU 45 -5.323 -8.032 -5.134 334 HD23 LEU 45 2HD2 LEU 45 -6.695 -8.987 -5.791 335 H ARG 46 H ARG 46 -10.784 -7.333 -0.738 336 HA ARG 46 HA ARG 46 -12.888 -6.934 -2.581 337 HB2 ARG 46 2HB ARG 46 -14.574 -8.387 -1.688 338 HB3 ARG 46 3HB ARG 46 -13.226 -9.326 -2.344 339 HG2 ARG 46 2HG ARG 46 -12.350 -9.635 -0.015 340 HG3 ARG 46 3HG ARG 46 -13.758 -8.764 0.606 341 HD2 ARG 46 2HD ARG 46 -15.253 -10.450 -0.211 342 HD3 ARG 46 3HD ARG 46 -13.944 -11.268 -1.075 343 HE ARG 46 HE ARG 46 -13.210 -12.208 0.928 344 HH11 ARG 46 1HH1 ARG 46 -15.728 -9.850 1.603 345 HH12 ARG 46 2HH1 ARG 46 -15.980 -10.413 3.221 346 HH21 ARG 46 1HH2 ARG 46 -13.537 -12.912 3.006 347 HH22 ARG 46 2HH2 ARG 46 -14.722 -12.171 4.028 348 H GLU 47 H GLU 47 -14.718 -5.744 -1.577 349 HA GLU 47 HA GLU 47 -13.982 -4.138 0.620 350 HB2 GLU 47 2HB GLU 47 -15.619 -3.535 -1.181 351 HB3 GLU 47 3HB GLU 47 -16.739 -4.750 -0.552 352 HG2 GLU 47 2HG GLU 47 -17.003 -3.532 1.541 353 HG3 GLU 47 3HG GLU 47 -15.709 -2.405 1.113 354 H GLY 48 H GLY 48 -14.055 -4.532 2.810 355 HA2 GLY 48 2HA GLY 48 -14.858 -5.461 4.751 356 HA3 GLY 48 3HA GLY 48 -15.909 -6.538 3.821 357 H GLY 49 H GLY 49 -13.089 -6.934 2.145 358 HA2 GLY 49 2HA GLY 49 -12.639 -9.487 3.283 359 HA3 GLY 49 3HA GLY 49 -11.690 -8.685 2.025 360 H ALA 50 H ALA 50 -10.714 -10.320 4.339 361 HA ALA 50 HA ALA 50 -9.403 -8.269 5.973 362 HB1 ALA 50 3HB ALA 50 -9.540 -11.317 6.200 363 HB2 ALA 50 1HB ALA 50 -8.725 -10.215 7.362 364 HB3 ALA 50 2HB ALA 50 -10.507 -10.135 7.145 365 H PHE 51 H PHE 51 -7.062 -8.259 6.259 366 HA PHE 51 HA PHE 51 -5.556 -10.037 4.499 367 HB2 PHE 51 2HB PHE 51 -4.195 -8.162 3.649 368 HB3 PHE 51 3HB PHE 51 -5.880 -8.032 3.131 369 HD1 PHE 51 HD1 PHE 51 -3.259 -6.606 5.307 370 HD2 PHE 51 HD2 PHE 51 -7.324 -6.252 3.961 371 HE1 PHE 51 HE1 PHE 51 -3.370 -4.315 6.239 372 HE2 PHE 51 HE2 PHE 51 -7.430 -3.959 4.888 373 HZ PHE 51 HZ PHE 51 -5.453 -2.989 6.032 374 H SER 52 H SER 52 -3.187 -10.054 5.083 375 HA SER 52 HA SER 52 -2.575 -8.957 7.708 376 HB2 SER 52 2HB SER 52 -3.715 -11.065 8.249 377 HB3 SER 52 3HB SER 52 -2.697 -11.947 7.104 378 HG SER 52 HG SER 52 -1.486 -10.405 9.183 379 H SER 53 H SER 53 -0.325 -8.735 8.061 380 HA SER 53 HA SER 53 1.425 -9.910 6.009 381 HB2 SER 53 2HB SER 53 0.945 -7.601 5.317 382 HB3 SER 53 3HB SER 53 1.370 -7.001 6.925 383 HG SER 53 HG SER 53 3.108 -6.786 5.412 384 H ARG 54 H ARG 54 3.156 -10.945 6.917 385 HA ARG 54 HA ARG 54 3.713 -10.286 9.732 386 HB2 ARG 54 2HB ARG 54 2.841 -12.547 9.373 387 HB3 ARG 54 3HB ARG 54 4.160 -12.888 8.245 388 HG2 ARG 54 2HG ARG 54 5.806 -12.509 10.087 389 HG3 ARG 54 3HG ARG 54 4.466 -12.227 11.207 390 HD2 ARG 54 2HD ARG 54 3.647 -14.490 10.839 391 HD3 ARG 54 3HD ARG 54 4.927 -14.781 9.654 392 HE ARG 54 HE ARG 54 6.460 -15.050 11.378 393 HH11 ARG 54 1HH1 ARG 54 3.452 -13.816 12.710 394 HH12 ARG 54 2HH1 ARG 54 3.899 -14.169 14.346 395 HH21 ARG 54 1HH2 ARG 54 7.023 -15.487 13.479 396 HH22 ARG 54 2HH2 ARG 54 5.947 -15.127 14.789 397 H MET 55 H MET 55 5.681 -9.406 10.231 398 HA MET 55 HA MET 55 7.817 -9.745 8.216 399 HB2 MET 55 2HB MET 55 7.168 -7.356 10.008 400 HB3 MET 55 3HB MET 55 8.631 -7.509 9.026 401 HG2 MET 55 2HG MET 55 7.230 -7.607 6.963 402 HG3 MET 55 3HG MET 55 5.772 -7.439 7.949 403 HE1 MET 55 3HE MET 55 4.961 -5.337 6.584 404 HE2 MET 55 1HE MET 55 5.993 -3.909 6.236 405 HE3 MET 55 2HE MET 55 6.397 -5.506 5.520 406 H GLU 56 H GLU 56 9.798 -10.490 8.962 407 HA GLU 56 HA GLU 56 10.147 -10.561 11.886 408 HB2 GLU 56 2HB GLU 56 10.605 -12.806 9.867 409 HB3 GLU 56 3HB GLU 56 11.265 -12.814 11.507 410 HG2 GLU 56 2HG GLU 56 8.925 -12.678 12.420 411 HG3 GLU 56 3HG GLU 56 8.298 -12.748 10.768 412 H ALA 57 H ALA 57 12.336 -10.320 12.611 413 HA ALA 57 HA ALA 57 14.207 -9.303 10.664 414 HB1 ALA 57 3HB ALA 57 14.458 -9.946 13.641 415 HB2 ALA 57 1HB ALA 57 15.683 -9.089 12.647 416 HB3 ALA 57 2HB ALA 57 14.072 -8.344 12.926 417 H LYS 58 H LYS 58 15.994 -10.348 9.781 418 HA LYS 58 HA LYS 58 15.895 -13.120 9.539 419 HB2 LYS 58 2HB LYS 58 16.973 -11.588 7.926 420 HB3 LYS 58 3HB LYS 58 18.202 -11.160 9.124 421 HG2 LYS 58 2HG LYS 58 19.201 -12.750 7.624 422 HG3 LYS 58 3HG LYS 58 18.933 -13.589 9.158 423 HD2 LYS 58 2HD LYS 58 16.877 -14.637 8.281 424 HD3 LYS 58 3HD LYS 58 17.002 -13.708 6.781 425 HE2 LYS 58 2HE LYS 58 19.196 -14.811 6.286 426 HE3 LYS 58 3HE LYS 58 19.060 -15.747 7.780 427 HZ1 LYS 58 3HZ LYS 58 17.168 -15.870 5.517 428 HZ2 LYS 58 1HZ LYS 58 18.295 -16.993 5.883 429 HZ3 LYS 58 2HZ LYS 58 17.042 -16.734 6.896 430 H ASP 59 H ASP 59 17.453 -11.048 12.008 431 HA ASP 59 HA ASP 59 19.263 -13.140 12.831 432 HB2 ASP 59 2HB ASP 59 20.017 -11.536 14.460 433 HB3 ASP 59 3HB ASP 59 19.805 -10.689 12.922 434 H GLY 60 H GLY 60 15.895 -12.596 13.287 435 HA2 GLY 60 2HA GLY 60 14.523 -14.061 14.315 436 HA3 GLY 60 3HA GLY 60 15.933 -14.934 14.930 437 H SER 61 H SER 61 15.880 -11.474 15.627 438 HA SER 61 HA SER 61 15.717 -12.170 18.446 439 HB2 SER 61 2HB SER 61 16.543 -9.917 18.792 440 HB3 SER 61 3HB SER 61 17.515 -10.705 17.543 441 HG SER 61 HG SER 61 16.505 -9.515 15.954 442 H MET 62 H MET 62 13.711 -10.637 15.914 443 HA MET 62 HA MET 62 11.558 -10.239 17.775 444 HB2 MET 62 2HB MET 62 11.426 -7.810 17.504 445 HB3 MET 62 3HB MET 62 12.939 -8.268 18.297 446 HG2 MET 62 2HG MET 62 14.126 -8.037 16.092 447 HG3 MET 62 3HG MET 62 12.609 -7.497 15.360 448 HE1 MET 62 3HE MET 62 11.463 -5.021 17.729 449 HE2 MET 62 1HE MET 62 11.971 -4.094 16.277 450 HE3 MET 62 2HE MET 62 11.250 -5.729 16.093 451 H GLY 63 H GLY 63 9.570 -9.373 16.617 452 HA2 GLY 63 2HA GLY 63 9.727 -8.785 13.844 453 HA3 GLY 63 3HA GLY 63 9.168 -10.445 14.091 454 H PHE 64 H PHE 64 7.384 -8.749 12.857 455 HA PHE 64 HA PHE 64 5.477 -8.119 15.014 456 HB2 PHE 64 2HB PHE 64 6.119 -6.452 12.531 457 HB3 PHE 64 3HB PHE 64 4.776 -6.144 13.641 458 HD1 PHE 64 HD1 PHE 64 5.232 -5.426 15.991 459 HD2 PHE 64 HD2 PHE 64 8.373 -5.827 13.087 460 HE1 PHE 64 HE1 PHE 64 6.724 -4.057 17.414 461 HE2 PHE 64 HE2 PHE 64 9.864 -4.458 14.513 462 HZ PHE 64 HZ PHE 64 9.043 -3.573 16.678 463 H ASP 65 H ASP 65 3.298 -8.640 14.567 464 HA ASP 65 HA ASP 65 2.789 -9.679 11.850 465 HB2 ASP 65 2HB ASP 65 2.661 -11.402 13.647 466 HB3 ASP 65 3HB ASP 65 1.471 -10.417 14.507 467 H PHE 66 H PHE 66 1.366 -8.491 10.637 468 HA PHE 66 HA PHE 66 -0.225 -6.488 12.111 469 HB2 PHE 66 2HB PHE 66 0.955 -6.425 9.290 470 HB3 PHE 66 3HB PHE 66 -0.103 -5.183 9.973 471 HD1 PHE 66 HD1 PHE 66 0.682 -3.855 11.980 472 HD2 PHE 66 HD2 PHE 66 3.286 -6.464 9.773 473 HE1 PHE 66 HE1 PHE 66 2.650 -2.704 12.942 474 HE2 PHE 66 HE2 PHE 66 5.254 -5.314 10.740 475 HZ PHE 66 HZ PHE 66 4.942 -3.430 12.320 476 H ALA 67 H ALA 67 -2.438 -6.279 11.648 477 HA ALA 67 HA ALA 67 -3.477 -7.925 9.448 478 HB1 ALA 67 3HB ALA 67 -4.534 -7.861 12.316 479 HB2 ALA 67 1HB ALA 67 -5.333 -8.662 10.922 480 HB3 ALA 67 2HB ALA 67 -3.740 -9.252 11.504 481 H GLY 68 H GLY 68 -5.495 -7.143 8.536 482 HA2 GLY 68 2HA GLY 68 -6.688 -4.778 9.698 483 HA3 GLY 68 3HA GLY 68 -5.792 -4.481 8.203 484 H THR 69 H THR 69 -8.529 -3.954 8.211 485 HA THR 69 HA THR 69 -9.422 -6.076 6.401 486 HB THR 69 HB THR 69 -11.748 -5.782 7.230 487 HG1 THR 69 HG1 THR 69 -12.025 -4.614 9.265 488 HG21 THR 69 3HG2 THR 69 -9.738 -6.476 9.430 489 HG22 THR 69 1HG2 THR 69 -11.472 -6.941 9.405 490 HG23 THR 69 2HG2 THR 69 -10.350 -7.592 8.162 491 H TYR 70 H TYR 70 -10.826 -5.312 4.647 492 HA TYR 70 HA TYR 70 -10.457 -2.504 4.040 493 HB2 TYR 70 2HB TYR 70 -11.815 -4.824 2.576 494 HB3 TYR 70 3HB TYR 70 -11.680 -3.185 1.927 495 HD1 TYR 70 HD1 TYR 70 -9.187 -2.197 1.907 496 HD2 TYR 70 HD2 TYR 70 -10.162 -6.380 2.021 497 HE1 TYR 70 HE1 TYR 70 -6.954 -2.742 0.987 498 HE2 TYR 70 HE2 TYR 70 -7.928 -6.928 1.107 499 HH TYR 70 HH TYR 70 -5.523 -5.607 1.193 500 H THR 71 H THR 71 -12.149 -0.951 3.769 501 HA THR 71 HA THR 71 -14.581 -1.725 5.222 502 HB THR 71 HB THR 71 -14.768 0.652 5.865 503 HG1 THR 71 HG1 THR 71 -13.237 2.163 5.207 504 HG21 THR 71 3HG2 THR 71 -11.990 -0.507 6.410 505 HG22 THR 71 1HG2 THR 71 -12.798 0.784 7.362 506 HG23 THR 71 2HG2 THR 71 -13.490 -0.872 7.328 507 H LYS 72 H LYS 72 -13.226 -0.244 2.253 508 HA LYS 72 HA LYS 72 -15.844 -0.102 1.061 509 HB2 LYS 72 2HB LYS 72 -15.687 1.995 2.465 510 HB3 LYS 72 3HB LYS 72 -14.256 2.463 1.537 511 HG2 LYS 72 2HG LYS 72 -15.579 2.580 -0.534 512 HG3 LYS 72 3HG LYS 72 -17.010 1.964 0.302 513 HD2 LYS 72 2HD LYS 72 -16.898 3.975 1.854 514 HD3 LYS 72 3HD LYS 72 -15.566 4.605 0.876 515 HE2 LYS 72 2HE LYS 72 -17.040 4.600 -1.143 516 HE3 LYS 72 3HE LYS 72 -18.372 3.957 -0.174 517 HZ1 LYS 72 3HZ LYS 72 -17.042 6.554 0.272 518 HZ2 LYS 72 1HZ LYS 72 -18.513 6.336 -0.403 519 HZ3 LYS 72 2HZ LYS 72 -18.272 5.960 1.167 520 H VAL 73 H VAL 73 -15.666 -0.360 -1.164 521 HA VAL 73 HA VAL 73 -13.175 0.562 -2.381 522 HB VAL 73 HB VAL 73 -14.475 -2.167 -2.883 523 HG11 VAL 73 1HG1 VAL 73 -12.603 -2.523 -4.465 524 HG12 VAL 73 2HG1 VAL 73 -13.645 -1.147 -4.962 525 HG13 VAL 73 3HG1 VAL 73 -12.055 -0.836 -4.189 526 HG21 VAL 73 3HG2 VAL 73 -13.148 -2.102 -0.815 527 HG22 VAL 73 1HG2 VAL 73 -12.317 -3.073 -2.077 528 HG23 VAL 73 2HG2 VAL 73 -11.758 -1.406 -1.714 529 H VAL 74 H VAL 74 -13.568 1.759 -4.239 530 HA VAL 74 HA VAL 74 -16.255 1.486 -5.396 531 HB VAL 74 HB VAL 74 -14.716 4.068 -4.810 532 HG11 VAL 74 1HG1 VAL 74 -16.703 5.217 -5.738 533 HG12 VAL 74 2HG1 VAL 74 -15.891 4.189 -6.967 534 HG13 VAL 74 3HG1 VAL 74 -17.408 3.627 -6.186 535 HG21 VAL 74 3HG2 VAL 74 -15.794 3.103 -2.825 536 HG22 VAL 74 1HG2 VAL 74 -16.647 4.592 -3.354 537 HG23 VAL 74 2HG2 VAL 74 -17.349 2.979 -3.714 538 H GLU 75 H GLU 75 -16.184 1.081 -7.595 539 HA GLU 75 HA GLU 75 -15.407 0.940 -9.680 540 HB2 GLU 75 2HB GLU 75 -14.463 3.756 -8.961 541 HB3 GLU 75 3HB GLU 75 -14.533 3.111 -10.606 542 HG2 GLU 75 2HG GLU 75 -17.000 2.808 -10.381 543 HG3 GLU 75 3HG GLU 75 -16.930 3.452 -8.736 544 H ASN 76 H ASN 76 -13.572 -0.207 -7.678 545 HA ASN 76 HA ASN 76 -11.438 -0.627 -7.212 546 HB2 ASN 76 2HB ASN 76 -11.211 -0.503 -10.244 547 HB3 ASN 76 3HB ASN 76 -10.073 -1.297 -9.148 548 HD21 ASN 76 1HD2 ASN 76 -12.534 -1.816 -11.207 549 HD22 ASN 76 2HD2 ASN 76 -13.082 -3.351 -10.621 550 H LYS 77 H LYS 77 -11.675 2.039 -6.598 551 HA LYS 77 HA LYS 77 -9.592 3.469 -8.038 552 HB2 LYS 77 2HB LYS 77 -11.596 3.628 -9.510 553 HB3 LYS 77 3HB LYS 77 -12.545 4.258 -8.156 554 HG2 LYS 77 2HG LYS 77 -11.102 6.267 -8.041 555 HG3 LYS 77 3HG LYS 77 -10.073 5.628 -9.330 556 HD2 LYS 77 2HD LYS 77 -12.046 5.616 -10.884 557 HD3 LYS 77 3HD LYS 77 -13.056 6.283 -9.595 558 HE2 LYS 77 2HE LYS 77 -11.554 8.287 -9.464 559 HE3 LYS 77 3HE LYS 77 -10.562 7.623 -10.769 560 HZ1 LYS 77 3HZ LYS 77 -13.417 8.331 -10.995 561 HZ2 LYS 77 1HZ LYS 77 -12.167 9.195 -11.592 562 HZ3 LYS 77 2HZ LYS 77 -12.502 7.717 -12.199 563 H ARG 78 H ARG 78 -12.078 3.216 -5.456 564 HA ARG 78 HA ARG 78 -10.274 4.889 -3.868 565 HB2 ARG 78 2HB ARG 78 -13.277 5.216 -4.031 566 HB3 ARG 78 3HB ARG 78 -12.297 5.819 -2.689 567 HG2 ARG 78 2HG ARG 78 -10.960 7.177 -4.317 568 HG3 ARG 78 3HG ARG 78 -12.021 6.618 -5.617 569 HD2 ARG 78 2HD ARG 78 -13.950 7.618 -4.435 570 HD3 ARG 78 3HD ARG 78 -12.848 8.226 -3.193 571 HE ARG 78 HE ARG 78 -11.893 9.172 -5.659 572 HH11 ARG 78 1HH1 ARG 78 -14.803 9.517 -3.720 573 HH12 ARG 78 2HH1 ARG 78 -15.117 11.129 -4.272 574 HH21 ARG 78 1HH2 ARG 78 -12.312 11.229 -6.365 575 HH22 ARG 78 2HH2 ARG 78 -13.687 12.113 -5.793 576 H ILE 79 H ILE 79 -9.762 3.963 -1.892 577 HA ILE 79 HA ILE 79 -11.352 1.676 -1.053 578 HB ILE 79 HB ILE 79 -9.757 0.758 -2.721 579 HG12 ILE 79 2HG1 ILE 79 -8.842 0.029 0.096 580 HG13 ILE 79 3HG1 ILE 79 -10.417 -0.447 -0.552 581 HG21 ILE 79 1HG2 ILE 79 -7.325 0.839 -2.284 582 HG22 ILE 79 2HG2 ILE 79 -8.012 2.477 -2.548 583 HG23 ILE 79 3HG2 ILE 79 -7.616 1.926 -0.885 584 HD11 ILE 79 3HD1 ILE 79 -7.705 -1.183 -1.742 585 HD12 ILE 79 1HD1 ILE 79 -8.780 -2.259 -0.788 586 HD13 ILE 79 2HD1 ILE 79 -9.304 -1.666 -2.400 587 H GLU 80 H GLU 80 -11.403 1.557 1.184 588 HA GLU 80 HA GLU 80 -9.225 2.943 2.617 589 HB2 GLU 80 2HB GLU 80 -11.356 4.215 2.694 590 HB3 GLU 80 3HB GLU 80 -12.200 2.787 3.306 591 HG2 GLU 80 2HG GLU 80 -10.709 2.824 5.340 592 HG3 GLU 80 3HG GLU 80 -9.968 4.312 4.736 593 H TYR 81 H TYR 81 -8.338 1.873 4.416 594 HA TYR 81 HA TYR 81 -9.571 -0.611 5.287 595 HB2 TYR 81 2HB TYR 81 -7.472 -1.893 4.879 596 HB3 TYR 81 3HB TYR 81 -8.276 -1.395 3.385 597 HD1 TYR 81 HD1 TYR 81 -5.332 -0.878 5.560 598 HD2 TYR 81 HD2 TYR 81 -7.264 0.274 1.903 599 HE1 TYR 81 HE1 TYR 81 -3.234 0.188 4.790 600 HE2 TYR 81 HE2 TYR 81 -5.170 1.335 1.126 601 HH TYR 81 HH TYR 81 -2.135 0.929 2.875 602 H ALA 82 H ALA 82 -8.286 -1.574 7.181 603 HA ALA 82 HA ALA 82 -6.943 0.621 8.633 604 HB1 ALA 82 3HB ALA 82 -8.603 -1.727 9.674 605 HB2 ALA 82 1HB ALA 82 -7.754 -0.512 10.688 606 HB3 ALA 82 2HB ALA 82 -9.109 -0.005 9.623 607 H PHE 83 H PHE 83 -4.913 0.238 9.526 608 HA PHE 83 HA PHE 83 -3.831 -2.461 9.009 609 HB2 PHE 83 2HB PHE 83 -2.995 -0.704 7.434 610 HB3 PHE 83 3HB PHE 83 -2.429 0.249 8.813 611 HD1 PHE 83 HD1 PHE 83 -2.019 -3.069 7.122 612 HD2 PHE 83 HD2 PHE 83 -0.306 -0.139 9.756 613 HE1 PHE 83 HE1 PHE 83 0.130 -4.295 7.091 614 HE2 PHE 83 HE2 PHE 83 1.845 -1.364 9.719 615 HZ PHE 83 HZ PHE 83 2.067 -3.445 8.384 616 H GLY 84 H GLY 84 -3.846 -3.407 11.063 617 HA2 GLY 84 2HA GLY 84 -3.212 -3.743 13.191 618 HA3 GLY 84 3HA GLY 84 -2.068 -2.403 13.029 619 H ASP 85 H ASP 85 -2.399 -0.918 14.658 620 HA ASP 85 HA ASP 85 -5.146 -0.392 15.502 621 HB2 ASP 85 2HB ASP 85 -4.079 0.905 17.295 622 HB3 ASP 85 3HB ASP 85 -3.438 -0.742 17.233 623 H ARG 86 H ARG 86 -3.597 0.510 12.828 624 HA ARG 86 HA ARG 86 -4.328 3.348 13.139 625 HB2 ARG 86 2HB ARG 86 -2.028 2.105 11.629 626 HB3 ARG 86 3HB ARG 86 -2.650 3.719 11.261 627 HG2 ARG 86 2HG ARG 86 -2.204 4.415 13.613 628 HG3 ARG 86 3HG ARG 86 -1.554 2.806 13.956 629 HD2 ARG 86 2HD ARG 86 -0.449 4.596 11.792 630 HD3 ARG 86 3HD ARG 86 0.090 4.676 13.475 631 HE ARG 86 HE ARG 86 0.979 2.442 13.255 632 HH11 ARG 86 1HH1 ARG 86 -0.140 3.831 10.228 633 HH12 ARG 86 2HH1 ARG 86 0.847 2.793 9.254 634 HH21 ARG 86 1HH2 ARG 86 2.227 1.111 11.995 635 HH22 ARG 86 2HH2 ARG 86 2.206 1.230 10.267 636 H THR 87 H THR 87 -4.778 4.375 10.842 637 HA THR 87 HA THR 87 -6.212 2.391 9.222 638 HB THR 87 HB THR 87 -8.031 4.043 8.888 639 HG1 THR 87 HG1 THR 87 -8.053 5.934 10.305 640 HG21 THR 87 3HG2 THR 87 -7.435 3.484 11.834 641 HG22 THR 87 1HG2 THR 87 -9.037 3.918 11.148 642 HG23 THR 87 2HG2 THR 87 -8.251 2.369 10.688 643 H ALA 88 H ALA 88 -6.562 3.097 6.927 644 HA ALA 88 HA ALA 88 -5.104 5.479 6.108 645 HB1 ALA 88 3HB ALA 88 -4.455 2.673 5.078 646 HB2 ALA 88 1HB ALA 88 -3.836 4.212 4.389 647 HB3 ALA 88 2HB ALA 88 -3.376 3.725 6.055 648 H LYS 89 H LYS 89 -5.765 6.265 4.008 649 HA LYS 89 HA LYS 89 -7.904 4.708 2.726 650 HB2 LYS 89 2HB LYS 89 -8.907 6.460 4.214 651 HB3 LYS 89 3HB LYS 89 -7.987 7.700 3.352 652 HG2 LYS 89 2HG LYS 89 -9.189 7.184 1.256 653 HG3 LYS 89 3HG LYS 89 -10.056 5.862 2.049 654 HD2 LYS 89 2HD LYS 89 -11.094 7.478 3.640 655 HD3 LYS 89 3HD LYS 89 -10.201 8.807 2.890 656 HE2 LYS 89 2HE LYS 89 -11.340 8.382 0.722 657 HE3 LYS 89 3HE LYS 89 -12.194 7.001 1.422 658 HZ1 LYS 89 3HZ LYS 89 -12.464 9.799 2.320 659 HZ2 LYS 89 1HZ LYS 89 -13.552 8.973 1.426 660 HZ3 LYS 89 2HZ LYS 89 -13.252 8.524 2.966 661 H VAL 90 H VAL 90 -7.713 4.629 0.495 662 HA VAL 90 HA VAL 90 -5.565 6.312 -0.601 663 HB VAL 90 HB VAL 90 -6.280 3.419 -1.305 664 HG11 VAL 90 1HG1 VAL 90 -4.259 3.507 -2.731 665 HG12 VAL 90 2HG1 VAL 90 -5.501 4.693 -3.257 666 HG13 VAL 90 3HG1 VAL 90 -4.062 5.248 -2.336 667 HG21 VAL 90 3HG2 VAL 90 -5.153 3.603 0.872 668 HG22 VAL 90 1HG2 VAL 90 -4.058 2.880 -0.355 669 HG23 VAL 90 2HG2 VAL 90 -3.854 4.597 0.129 670 H GLU 91 H GLU 91 -5.958 7.314 -2.614 671 HA GLU 91 HA GLU 91 -8.462 6.530 -3.964 672 HB2 GLU 91 2HB GLU 91 -7.235 9.309 -3.625 673 HB3 GLU 91 3HB GLU 91 -8.587 8.935 -4.702 674 HG2 GLU 91 2HG GLU 91 -9.932 8.181 -2.721 675 HG3 GLU 91 3HG GLU 91 -8.586 8.614 -1.660 676 H PHE 92 H PHE 92 -8.399 6.449 -6.267 677 HA PHE 92 HA PHE 92 -5.685 6.741 -7.398 678 HB2 PHE 92 2HB PHE 92 -7.924 4.785 -8.115 679 HB3 PHE 92 3HB PHE 92 -6.418 4.973 -9.025 680 HD1 PHE 92 HD1 PHE 92 -7.870 3.895 -5.776 681 HD2 PHE 92 HD2 PHE 92 -4.364 3.998 -8.258 682 HE1 PHE 92 HE1 PHE 92 -6.765 2.253 -4.288 683 HE2 PHE 92 HE2 PHE 92 -3.261 2.359 -6.769 684 HZ PHE 92 HZ PHE 92 -4.461 1.481 -4.782 685 H LEU 93 H LEU 93 -5.470 8.193 -9.061 686 HA LEU 93 HA LEU 93 -7.985 9.189 -10.250 687 HB2 LEU 93 2HB LEU 93 -6.922 10.862 -8.812 688 HB3 LEU 93 3HB LEU 93 -5.355 10.599 -9.589 689 HG LEU 93 HG LEU 93 -6.341 11.463 -11.759 690 HD11 LEU 93 1HD1 LEU 93 -8.471 12.705 -11.636 691 HD12 LEU 93 2HD1 LEU 93 -8.703 10.962 -11.270 692 HD13 LEU 93 3HD1 LEU 93 -8.690 12.165 -9.937 693 HD21 LEU 93 3HD2 LEU 93 -5.014 12.891 -10.243 694 HD22 LEU 93 1HD2 LEU 93 -6.327 13.829 -11.032 695 HD23 LEU 93 2HD2 LEU 93 -6.499 13.305 -9.323 696 H GLU 94 H GLU 94 -8.225 8.843 -12.416 697 HA GLU 94 HA GLU 94 -6.027 7.732 -13.900 698 HB2 GLU 94 2HB GLU 94 -8.409 7.019 -14.173 699 HB3 GLU 94 3HB GLU 94 -8.821 8.637 -14.755 700 HG2 GLU 94 2HG GLU 94 -7.286 8.333 -16.697 701 HG3 GLU 94 3HG GLU 94 -6.862 6.718 -16.114 702 H ALA 95 H ALA 95 -4.439 8.924 -14.865 703 HA ALA 95 HA ALA 95 -5.144 11.661 -15.696 704 HB1 ALA 95 3HB ALA 95 -2.441 10.333 -15.170 705 HB2 ALA 95 1HB ALA 95 -2.689 12.029 -15.706 706 HB3 ALA 95 2HB ALA 95 -3.282 11.500 -14.095 707 HA PRO 96 HA PRO 96 -4.645 10.626 -19.974 708 HB2 PRO 96 2HB PRO 96 -3.253 12.860 -20.901 709 HB3 PRO 96 3HB PRO 96 -4.970 12.947 -20.485 710 HG2 PRO 96 2HG PRO 96 -2.558 13.716 -18.804 711 HG3 PRO 96 3HG PRO 96 -4.067 14.606 -19.052 712 HD2 PRO 96 2HD PRO 96 -3.694 13.144 -16.798 713 HD3 PRO 96 3HD PRO 96 -5.290 13.220 -17.555 714 H GLN 97 H GLN 97 -1.741 11.331 -18.041 715 HA GLN 97 HA GLN 97 -0.151 10.062 -20.165 716 HB2 GLN 97 2HB GLN 97 0.638 11.755 -17.742 717 HB3 GLN 97 3HB GLN 97 1.785 11.008 -18.862 718 HG2 GLN 97 2HG GLN 97 0.827 12.346 -20.733 719 HG3 GLN 97 3HG GLN 97 -0.319 13.093 -19.612 720 HE21 GLN 97 1HE2 GLN 97 0.816 15.057 -20.545 721 HE22 GLN 97 2HE2 GLN 97 2.223 15.633 -19.716 722 H GLY 98 H GLY 98 -1.761 9.325 -17.217 723 HA2 GLY 98 2HA GLY 98 -0.647 6.790 -16.945 724 HA3 GLY 98 3HA GLY 98 0.271 7.869 -15.887 725 H VAL 99 H VAL 99 -0.745 6.313 -14.196 726 HA VAL 99 HA VAL 99 -3.284 7.552 -13.377 727 HB VAL 99 HB VAL 99 -2.177 4.752 -12.832 728 HG11 VAL 99 1HG1 VAL 99 -4.211 4.390 -11.466 729 HG12 VAL 99 2HG1 VAL 99 -3.160 5.670 -10.773 730 HG13 VAL 99 3HG1 VAL 99 -4.650 6.120 -11.670 731 HG21 VAL 99 3HG2 VAL 99 -3.287 5.025 -15.007 732 HG22 VAL 99 1HG2 VAL 99 -4.284 4.018 -13.903 733 HG23 VAL 99 2HG2 VAL 99 -4.726 5.733 -14.198 734 H THR 100 H THR 100 -3.321 8.580 -11.367 735 HA THR 100 HA THR 100 -0.753 8.588 -9.964 736 HB THR 100 HB THR 100 -3.123 10.529 -9.920 737 HG1 THR 100 HG1 THR 100 -0.374 10.947 -10.766 738 HG21 THR 100 3HG2 THR 100 -0.440 10.657 -8.458 739 HG22 THR 100 1HG2 THR 100 -1.677 11.959 -8.505 740 HG23 THR 100 2HG2 THR 100 -2.048 10.396 -7.702 741 H VAL 101 H VAL 101 -0.579 7.859 -7.832 742 HA VAL 101 HA VAL 101 -3.088 6.864 -6.671 743 HB VAL 101 HB VAL 101 -0.211 5.917 -6.221 744 HG11 VAL 101 1HG1 VAL 101 -1.271 4.041 -5.002 745 HG12 VAL 101 2HG1 VAL 101 -1.631 5.625 -4.236 746 HG13 VAL 101 3HG1 VAL 101 -2.880 4.806 -5.234 747 HG21 VAL 101 3HG2 VAL 101 -1.029 5.346 -8.468 748 HG22 VAL 101 1HG2 VAL 101 -0.925 3.880 -7.436 749 HG23 VAL 101 2HG2 VAL 101 -2.520 4.639 -7.760 750 H ARG 102 H ARG 102 -3.793 7.922 -4.845 751 HA ARG 102 HA ARG 102 -1.760 9.438 -3.349 752 HB2 ARG 102 2HB ARG 102 -3.338 10.912 -4.392 753 HB3 ARG 102 3HB ARG 102 -4.707 9.985 -3.765 754 HG2 ARG 102 2HG ARG 102 -4.058 10.589 -1.446 755 HG3 ARG 102 3HG ARG 102 -2.680 11.507 -2.067 756 HD2 ARG 102 2HD ARG 102 -5.590 12.074 -2.667 757 HD3 ARG 102 3HD ARG 102 -4.610 12.899 -1.448 758 HE ARG 102 HE ARG 102 -3.227 13.203 -3.845 759 HH11 ARG 102 1HH1 ARG 102 -6.436 14.031 -2.678 760 HH12 ARG 102 2HH1 ARG 102 -6.554 15.449 -3.666 761 HH21 ARG 102 1HH2 ARG 102 -3.396 15.014 -5.113 762 HH22 ARG 102 2HH2 ARG 102 -4.810 16.014 -5.065 763 H VAL 103 H VAL 103 -1.280 8.704 -1.325 764 HA VAL 103 HA VAL 103 -3.309 6.991 -0.064 765 HB VAL 103 HB VAL 103 -0.257 6.820 0.111 766 HG11 VAL 103 1HG1 VAL 103 -0.666 4.775 1.445 767 HG12 VAL 103 2HG1 VAL 103 -1.334 6.239 2.242 768 HG13 VAL 103 3HG1 VAL 103 -2.432 5.100 1.392 769 HG21 VAL 103 3HG2 VAL 103 -1.138 5.994 -2.030 770 HG22 VAL 103 1HG2 VAL 103 -0.554 4.634 -1.012 771 HG23 VAL 103 2HG2 VAL 103 -2.315 4.954 -1.158 772 H SER 104 H SER 104 -4.119 7.834 1.844 773 HA SER 104 HA SER 104 -2.252 9.465 3.452 774 HB2 SER 104 2HB SER 104 -5.298 9.410 3.302 775 HB3 SER 104 3HB SER 104 -4.389 10.262 4.558 776 HG SER 104 HG SER 104 -4.971 11.644 2.794 777 H PHE 105 H PHE 105 -1.586 8.640 5.397 778 HA PHE 105 HA PHE 105 -3.163 6.498 6.603 779 HB2 PHE 105 2HB PHE 105 -1.248 4.998 6.735 780 HB3 PHE 105 3HB PHE 105 -1.587 5.374 5.041 781 HD1 PHE 105 HD1 PHE 105 -0.109 6.958 3.790 782 HD2 PHE 105 HD2 PHE 105 0.823 5.633 7.769 783 HE1 PHE 105 HE1 PHE 105 2.237 7.684 3.482 784 HE2 PHE 105 HE2 PHE 105 3.169 6.365 7.461 785 HZ PHE 105 HZ PHE 105 3.879 7.393 5.320 786 H VAL 106 H VAL 106 -2.454 6.025 8.864 787 HA VAL 106 HA VAL 106 -1.613 8.461 10.128 788 HB VAL 106 HB VAL 106 -2.321 5.696 11.241 789 HG11 VAL 106 1HG1 VAL 106 -2.500 6.843 13.428 790 HG12 VAL 106 2HG1 VAL 106 -0.830 6.916 12.770 791 HG13 VAL 106 3HG1 VAL 106 -1.896 8.359 12.678 792 HG21 VAL 106 3HG2 VAL 106 -4.201 6.819 10.127 793 HG22 VAL 106 1HG2 VAL 106 -4.439 6.786 11.907 794 HG23 VAL 106 2HG2 VAL 106 -3.909 8.300 11.100 795 H ALA 107 H ALA 107 0.383 8.894 11.113 796 HA ALA 107 HA ALA 107 2.599 7.304 10.358 797 HB1 ALA 107 3HB ALA 107 2.299 9.528 12.435 798 HB2 ALA 107 1HB ALA 107 3.853 8.878 11.813 799 HB3 ALA 107 2HB ALA 107 2.731 9.738 10.705 800 H GLU 108 H GLU 108 3.758 5.717 11.448 801 HA GLU 108 HA GLU 108 2.445 4.438 13.631 802 HB2 GLU 108 2HB GLU 108 3.665 3.160 11.948 803 HB3 GLU 108 3HB GLU 108 5.153 4.057 12.274 804 HG2 GLU 108 2HG GLU 108 5.153 1.780 13.289 805 HG3 GLU 108 3HG GLU 108 5.356 3.062 14.490 806 H THR 109 H THR 109 2.748 4.687 15.823 807 HA THR 109 HA THR 109 4.193 6.941 16.684 808 HB THR 109 HB THR 109 3.579 6.161 18.966 809 HG1 THR 109 HG1 THR 109 2.342 4.150 19.114 810 HG21 THR 109 3HG2 THR 109 1.341 5.839 16.908 811 HG22 THR 109 1HG2 THR 109 1.121 6.162 18.660 812 HG23 THR 109 2HG2 THR 109 1.917 7.386 17.615 813 H GLU 110 H GLU 110 5.031 3.485 16.341 814 HA GLU 110 HA GLU 110 7.156 3.520 18.237 815 HB2 GLU 110 2HB GLU 110 6.426 1.696 15.901 816 HB3 GLU 110 3HB GLU 110 7.811 1.401 16.961 817 HG2 GLU 110 2HG GLU 110 6.308 1.224 18.921 818 HG3 GLU 110 3HG GLU 110 4.908 1.598 17.906 819 H TYR 111 H TYR 111 6.801 4.832 15.015 820 HA TYR 111 HA TYR 111 9.733 5.095 14.867 821 HB2 TYR 111 2HB TYR 111 7.760 4.498 12.606 822 HB3 TYR 111 3HB TYR 111 9.447 4.969 12.360 823 HD1 TYR 111 HD1 TYR 111 7.187 2.273 13.483 824 HD2 TYR 111 HD2 TYR 111 11.279 3.418 12.876 825 HE1 TYR 111 HE1 TYR 111 7.875 -0.097 13.680 826 HE2 TYR 111 HE2 TYR 111 11.973 1.051 13.068 827 HH TYR 111 HH TYR 111 11.340 -1.041 13.380 828 HA PRO 112 HA PRO 112 9.081 9.456 14.360 829 HB2 PRO 112 2HB PRO 112 11.090 9.205 12.083 830 HB3 PRO 112 3HB PRO 112 11.154 10.274 13.490 831 HG2 PRO 112 2HG PRO 112 12.747 8.140 13.408 832 HG3 PRO 112 3HG PRO 112 11.948 8.562 14.928 833 HD2 PRO 112 2HD PRO 112 11.212 6.384 12.929 834 HD3 PRO 112 3HD PRO 112 11.214 6.313 14.696 835 H VAL 113 H VAL 113 7.841 10.875 13.232 836 HA VAL 113 HA VAL 113 6.081 9.794 11.395 837 HB VAL 113 HB VAL 113 6.876 12.690 11.974 838 HG11 VAL 113 1HG1 VAL 113 4.762 13.330 10.855 839 HG12 VAL 113 2HG1 VAL 113 5.907 12.541 9.718 840 HG13 VAL 113 3HG1 VAL 113 4.508 11.621 10.367 841 HG21 VAL 113 3HG2 VAL 113 5.890 11.472 13.868 842 HG22 VAL 113 1HG2 VAL 113 4.752 12.714 13.245 843 HG23 VAL 113 2HG2 VAL 113 4.498 10.982 12.844 844 H GLU 114 H GLU 114 9.045 11.858 10.848 845 HA GLU 114 HA GLU 114 8.704 12.023 8.054 846 HB2 GLU 114 2HB GLU 114 11.122 12.273 9.897 847 HB3 GLU 114 3HB GLU 114 11.208 12.551 8.152 848 HG2 GLU 114 2HG GLU 114 9.596 14.405 8.324 849 HG3 GLU 114 3HG GLU 114 9.362 14.086 10.047 850 H GLN 115 H GLN 115 10.421 9.643 10.195 851 HA GLN 115 HA GLN 115 11.724 8.301 8.090 852 HB2 GLN 115 2HB GLN 115 12.312 8.162 10.524 853 HB3 GLN 115 3HB GLN 115 10.805 7.287 10.827 854 HG2 GLN 115 2HG GLN 115 12.637 5.703 10.706 855 HG3 GLN 115 3HG GLN 115 11.566 5.456 9.320 856 HE21 GLN 115 1HE2 GLN 115 12.868 4.747 7.723 857 HE22 GLN 115 2HE2 GLN 115 14.306 5.539 7.169 858 H GLN 116 H GLN 116 8.451 7.925 9.602 859 HA GLN 116 HA GLN 116 7.877 5.482 8.284 860 HB2 GLN 116 2HB GLN 116 6.734 6.360 10.345 861 HB3 GLN 116 3HB GLN 116 6.007 7.644 9.371 862 HG2 GLN 116 2HG GLN 116 4.392 5.855 9.714 863 HG3 GLN 116 3HG GLN 116 4.820 5.950 8.001 864 HE21 GLN 116 1HE2 GLN 116 4.598 3.896 7.290 865 HE22 GLN 116 2HE2 GLN 116 5.393 2.511 7.961 866 H GLN 117 H GLN 117 7.334 8.981 7.466 867 HA GLN 117 HA GLN 117 5.762 8.541 5.198 868 HB2 GLN 117 2HB GLN 117 6.075 10.741 6.278 869 HB3 GLN 117 3HB GLN 117 7.794 10.730 5.863 870 HG2 GLN 117 2HG GLN 117 7.220 10.769 3.447 871 HG3 GLN 117 3HG GLN 117 5.498 10.751 3.848 872 HE21 GLN 117 1HE2 GLN 117 5.879 12.777 2.395 873 HE22 GLN 117 2HE2 GLN 117 6.120 14.269 3.241 874 H GLN 118 H GLN 118 9.390 8.777 5.577 875 HA GLN 118 HA GLN 118 9.869 8.575 2.797 876 HB2 GLN 118 2HB GLN 118 11.574 8.105 5.287 877 HB3 GLN 118 3HB GLN 118 12.219 7.955 3.647 878 HG2 GLN 118 2HG GLN 118 11.687 10.310 3.178 879 HG3 GLN 118 3HG GLN 118 10.911 10.481 4.758 880 HE21 GLN 118 1HE2 GLN 118 12.802 12.264 4.312 881 HE22 GLN 118 2HE2 GLN 118 14.275 11.908 5.150 882 H GLY 119 H GLY 119 9.668 6.134 5.487 883 HA2 GLY 119 2HA GLY 119 10.658 3.962 4.008 884 HA3 GLY 119 3HA GLY 119 9.605 3.895 5.427 885 H TRP 120 H TRP 120 7.235 5.162 4.501 886 HA TRP 120 HA TRP 120 6.079 3.121 2.931 887 HB2 TRP 120 2HB TRP 120 4.877 4.559 4.596 888 HB3 TRP 120 3HB TRP 120 5.109 5.959 3.541 889 HD1 TRP 120 HD1 TRP 120 3.285 6.376 1.730 890 HE1 TRP 120 HE1 TRP 120 1.231 5.066 0.867 891 HE3 TRP 120 HE3 TRP 120 4.085 1.928 4.175 892 HZ2 TRP 120 HZ2 TRP 120 0.101 2.506 1.166 893 HZ3 TRP 120 HZ3 TRP 120 2.459 0.072 3.833 894 HH2 TRP 120 HH2 TRP 120 0.518 0.350 2.369 895 H GLN 121 H GLN 121 7.436 6.386 2.137 896 HA GLN 121 HA GLN 121 6.475 6.488 -0.494 897 HB2 GLN 121 2HB GLN 121 7.435 8.414 0.740 898 HB3 GLN 121 3HB GLN 121 9.017 7.624 0.777 899 HG2 GLN 121 2HG GLN 121 9.023 9.303 -0.966 900 HG3 GLN 121 3HG GLN 121 9.106 7.705 -1.717 901 HE21 GLN 121 1HE2 GLN 121 8.002 7.744 -3.575 902 HE22 GLN 121 2HE2 GLN 121 6.437 8.445 -3.821 903 H ALA 122 H ALA 122 9.458 4.984 0.944 904 HA ALA 122 HA ALA 122 10.646 4.283 -1.499 905 HB1 ALA 122 3HB ALA 122 10.733 2.931 1.244 906 HB2 ALA 122 1HB ALA 122 11.871 2.625 -0.111 907 HB3 ALA 122 2HB ALA 122 11.817 4.242 0.669 908 H ILE 123 H ILE 123 8.046 2.705 0.455 909 HA ILE 123 HA ILE 123 8.042 0.303 -0.994 910 HB ILE 123 HB ILE 123 5.882 1.791 0.575 911 HG12 ILE 123 2HG1 ILE 123 7.438 -0.750 1.238 912 HG13 ILE 123 3HG1 ILE 123 7.948 0.865 1.747 913 HG21 ILE 123 1HG2 ILE 123 4.590 -0.317 0.521 914 HG22 ILE 123 2HG2 ILE 123 4.804 0.378 -1.122 915 HG23 ILE 123 3HG2 ILE 123 5.799 -1.025 -0.603 916 HD11 ILE 123 3HD1 ILE 123 5.310 -0.483 2.479 917 HD12 ILE 123 1HD1 ILE 123 6.742 -0.288 3.545 918 HD13 ILE 123 2HD1 ILE 123 5.828 1.157 2.995 919 H LEU 124 H LEU 124 6.172 3.415 -1.413 920 HA LEU 124 HA LEU 124 4.752 2.514 -3.692 921 HB2 LEU 124 2HB LEU 124 5.512 5.279 -2.638 922 HB3 LEU 124 3HB LEU 124 4.473 5.027 -4.047 923 HG LEU 124 HG LEU 124 3.854 3.998 -1.227 924 HD11 LEU 124 1HD1 LEU 124 2.161 5.791 -1.190 925 HD12 LEU 124 2HD1 LEU 124 3.823 6.456 -1.344 926 HD13 LEU 124 3HD1 LEU 124 2.748 6.382 -2.781 927 HD21 LEU 124 3HD2 LEU 124 2.885 2.633 -3.041 928 HD22 LEU 124 1HD2 LEU 124 1.614 3.569 -2.184 929 HD23 LEU 124 2HD2 LEU 124 2.197 4.112 -3.794 930 H ASN 125 H ASN 125 8.007 3.996 -3.222 931 HA ASN 125 HA ASN 125 8.476 4.540 -5.938 932 HB2 ASN 125 2HB ASN 125 10.310 3.933 -3.598 933 HB3 ASN 125 3HB ASN 125 10.912 4.318 -5.216 934 HD21 ASN 125 1HD2 ASN 125 11.601 5.843 -3.089 935 HD22 ASN 125 2HD2 ASN 125 10.915 7.422 -3.277 936 H ASN 126 H ASN 126 8.907 1.550 -3.921 937 HA ASN 126 HA ASN 126 10.116 0.050 -5.981 938 HB2 ASN 126 2HB ASN 126 8.553 -0.675 -3.486 939 HB3 ASN 126 3HB ASN 126 9.165 -1.902 -4.603 940 HD21 ASN 126 1HD2 ASN 126 9.861 -1.548 -1.868 941 HD22 ASN 126 2HD2 ASN 126 11.577 -1.318 -1.827 942 H PHE 127 H PHE 127 6.670 0.717 -5.077 943 HA PHE 127 HA PHE 127 5.500 -1.087 -6.875 944 HB2 PHE 127 2HB PHE 127 4.277 0.078 -5.077 945 HB3 PHE 127 3HB PHE 127 4.583 1.642 -5.844 946 HD1 PHE 127 HD1 PHE 127 4.028 -0.881 -8.311 947 HD2 PHE 127 HD2 PHE 127 1.990 1.712 -5.558 948 HE1 PHE 127 HE1 PHE 127 1.943 -1.119 -9.627 949 HE2 PHE 127 HE2 PHE 127 -0.093 1.473 -6.874 950 HZ PHE 127 HZ PHE 127 -0.120 0.055 -8.911 951 H LYS 128 H LYS 128 6.559 2.381 -7.306 952 HA LYS 128 HA LYS 128 5.741 2.642 -9.953 953 HB2 LYS 128 2HB LYS 128 6.514 4.498 -8.513 954 HB3 LYS 128 3HB LYS 128 8.146 3.817 -8.477 955 HG2 LYS 128 2HG LYS 128 8.402 4.196 -10.901 956 HG3 LYS 128 3HG LYS 128 6.733 4.767 -11.018 957 HD2 LYS 128 2HD LYS 128 7.279 6.631 -9.417 958 HD3 LYS 128 3HD LYS 128 8.956 6.073 -9.362 959 HE2 LYS 128 2HE LYS 128 7.596 6.752 -12.007 960 HE3 LYS 128 3HE LYS 128 8.342 8.007 -11.008 961 HZ1 LYS 128 3HZ LYS 128 9.691 5.655 -12.165 962 HZ2 LYS 128 1HZ LYS 128 9.922 7.222 -12.564 963 HZ3 LYS 128 2HZ LYS 128 10.402 6.672 -11.104 964 H ARG 129 H ARG 129 8.884 1.375 -8.589 965 HA ARG 129 HA ARG 129 10.065 0.943 -11.091 966 HB2 ARG 129 2HB ARG 129 10.530 -0.282 -8.368 967 HB3 ARG 129 3HB ARG 129 11.472 -0.731 -9.796 968 HG2 ARG 129 2HG ARG 129 12.215 1.603 -10.073 969 HG3 ARG 129 3HG ARG 129 11.223 2.103 -8.697 970 HD2 ARG 129 2HD ARG 129 12.543 0.648 -7.221 971 HD3 ARG 129 3HD ARG 129 13.540 0.160 -8.598 972 HE ARG 129 HE ARG 129 13.647 2.964 -8.461 973 HH11 ARG 129 1HH1 ARG 129 14.566 0.244 -6.434 974 HH12 ARG 129 2HH1 ARG 129 15.912 1.076 -5.730 975 HH21 ARG 129 1HH2 ARG 129 15.365 4.021 -7.542 976 HH22 ARG 129 2HH2 ARG 129 16.371 3.246 -6.365 977 H HIS 130 H HIS 130 7.805 -1.063 -9.108 978 HA HIS 130 HA HIS 130 8.012 -3.402 -10.631 979 HB2 HIS 130 2HB HIS 130 6.870 -3.240 -8.437 980 HB3 HIS 130 3HB HIS 130 5.637 -2.183 -9.135 981 HD2 HIS 130 HD2 HIS 130 3.480 -3.514 -10.219 982 HE1 HIS 130 HE1 HIS 130 5.200 -7.434 -10.225 983 H VAL 131 H VAL 131 5.855 -0.478 -11.026 984 HA VAL 131 HA VAL 131 4.548 -1.419 -13.299 985 HB VAL 131 HB VAL 131 5.251 1.402 -12.349 986 HG11 VAL 131 1HG1 VAL 131 3.544 2.207 -13.949 987 HG12 VAL 131 2HG1 VAL 131 4.929 1.427 -14.785 988 HG13 VAL 131 3HG1 VAL 131 3.377 0.542 -14.602 989 HG21 VAL 131 3HG2 VAL 131 3.747 0.133 -10.877 990 HG22 VAL 131 1HG2 VAL 131 2.863 1.462 -11.700 991 HG23 VAL 131 2HG2 VAL 131 2.671 -0.231 -12.268 992 H GLU 132 H GLU 132 7.701 0.343 -12.889 993 HA GLU 132 HA GLU 132 8.117 0.862 -15.614 994 HB2 GLU 132 2HB GLU 132 9.978 0.474 -13.231 995 HB3 GLU 132 3HB GLU 132 10.575 0.886 -14.844 996 HG2 GLU 132 2HG GLU 132 9.312 2.990 -14.834 997 HG3 GLU 132 3HG GLU 132 8.533 2.563 -13.305 998 H SER 133 H SER 133 8.584 -2.096 -13.629 999 HA SER 133 HA SER 133 10.290 -3.371 -15.538 1000 HB2 SER 133 2HB SER 133 10.071 -5.277 -14.112 1001 HB3 SER 133 3HB SER 133 10.174 -3.856 -13.064 1002 HG SER 133 HG SER 133 7.780 -3.900 -13.031 1003 H HIS 134 H HIS 134 6.870 -2.696 -15.437 1004 HA HIS 134 HA HIS 134 6.251 -4.974 -17.154 1005 HB2 HIS 134 2HB HIS 134 4.596 -2.705 -15.954 1006 HB3 HIS 134 3HB HIS 134 3.939 -3.881 -17.099 1007 HD2 HIS 134 HD2 HIS 134 4.250 -3.485 -13.362 1008 HE1 HIS 134 HE1 HIS 134 3.950 -7.702 -14.038 1009 H LEU 135 H LEU 135 7.922 -2.191 -17.695 1010 HA LEU 135 HA LEU 135 6.551 -1.384 -20.117 1011 HB2 LEU 135 2HB LEU 135 9.322 -0.706 -19.011 1012 HB3 LEU 135 3HB LEU 135 8.533 0.085 -20.382 1013 HG LEU 135 HG LEU 135 7.509 0.130 -17.494 1014 HD11 LEU 135 1HD1 LEU 135 8.199 2.499 -17.544 1015 HD12 LEU 135 2HD1 LEU 135 9.598 1.399 -17.786 1016 HD13 LEU 135 3HD1 LEU 135 8.885 2.266 -19.188 1017 HD21 LEU 135 3HD2 LEU 135 5.709 0.252 -19.179 1018 HD22 LEU 135 1HD2 LEU 135 5.938 1.834 -18.361 1019 HD23 LEU 135 2HD2 LEU 135 6.578 1.580 -20.020 1020 H GLU 136 H GLU 136 9.112 -1.013 -21.635 1021 HA GLU 136 HA GLU 136 8.914 -3.452 -23.070 1022 HB2 GLU 136 2HB GLU 136 9.395 -1.132 -23.996 1023 HB3 GLU 136 3HB GLU 136 11.012 -1.243 -23.289 1024 HG2 GLU 136 2HG GLU 136 11.539 -3.196 -24.698 1025 HG3 GLU 136 3HG GLU 136 9.893 -3.209 -25.345 1026 H HIS 137 H HIS 137 9.476 -4.999 -21.261 1027 HA HIS 137 HA HIS 137 12.022 -4.945 -20.067 1028 HB2 HIS 137 2HB HIS 137 9.931 -6.185 -19.290 1029 HB3 HIS 137 3HB HIS 137 10.219 -7.359 -20.581 1030 HD2 HIS 137 HD2 HIS 137 11.390 -6.615 -16.977 1031 HE1 HIS 137 HE1 HIS 137 13.935 -9.691 -18.527 1032 H HIS 138 H HIS 138 14.012 -5.828 -20.664 1033 HA HIS 138 HA HIS 138 14.058 -7.156 -23.297 1034 HB2 HIS 138 2HB HIS 138 16.215 -5.551 -21.835 1035 HB3 HIS 138 3HB HIS 138 16.441 -6.389 -23.376 1036 HD2 HIS 138 HD2 HIS 138 14.938 -3.065 -22.002 1037 HE1 HIS 138 HE1 HIS 138 14.319 -3.143 -26.236
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