NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
645050 | 6izg | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.524 0.543 -1.981 3 HB2 MET 1 2HB MET 1 3.964 0.723 -1.982 4 HB3 MET 1 3HB MET 1 3.261 1.709 -0.707 5 HG2 MET 1 2HG MET 1 3.816 -0.858 0.365 6 HG3 MET 1 3HG MET 1 5.242 -0.299 -0.505 7 HE1 MET 1 1HE MET 1 5.038 0.237 3.575 8 HE2 MET 1 2HE MET 1 3.350 0.182 3.067 9 HE3 MET 1 3HE MET 1 4.494 -1.015 2.458 10 H SER 2 H SER 2 0.534 -1.987 -1.029 11 HA SER 2 HA SER 2 2.117 -3.733 -2.756 12 HB2 SER 2 2HB SER 2 2.172 -5.542 -1.158 13 HB3 SER 2 3HB SER 2 2.862 -4.111 -0.391 14 HG SER 2 HG SER 2 1.363 -4.256 1.059 15 H GLN 3 H GLN 3 0.874 -4.905 -4.075 16 HA GLN 3 HA GLN 3 -0.982 -5.712 -5.115 17 HB2 GLN 3 2HB GLN 3 -1.910 -6.162 -2.274 18 HB3 GLN 3 3HB GLN 3 -2.595 -6.916 -3.708 19 HG2 GLN 3 2HG GLN 3 -0.400 -7.974 -4.142 20 HG3 GLN 3 3HG GLN 3 0.184 -7.301 -2.621 21 HE21 GLN 3 1HE2 GLN 3 -1.505 -9.831 -4.120 22 HE22 GLN 3 2HE2 GLN 3 -1.979 -10.683 -2.693 23 H ASN 4 H ASN 4 -1.070 -3.120 -5.306 24 HA ASN 4 HA ASN 4 -3.801 -2.341 -4.518 25 HB2 ASN 4 2HB ASN 4 -2.913 0.041 -4.751 26 HB3 ASN 4 3HB ASN 4 -2.345 -0.877 -3.360 27 HD21 ASN 4 1HD2 ASN 4 -0.235 -1.026 -3.040 28 HD22 ASN 4 2HD2 ASN 4 0.987 -0.593 -4.183 29 H GLU 5 H GLU 5 -5.109 -1.360 -6.043 30 HA GLU 5 HA GLU 5 -4.126 -1.515 -8.815 31 HB2 GLU 5 2HB GLU 5 -6.618 -2.369 -7.532 32 HB3 GLU 5 3HB GLU 5 -6.871 -1.432 -8.998 33 HG2 GLU 5 2HG GLU 5 -6.555 -3.296 -10.143 34 HG3 GLU 5 3HG GLU 5 -4.863 -3.235 -9.655 35 H GLU 6 H GLU 6 -3.800 0.374 -9.765 36 HA GLU 6 HA GLU 6 -5.697 2.546 -9.376 37 HB2 GLU 6 2HB GLU 6 -4.105 4.174 -8.715 38 HB3 GLU 6 3HB GLU 6 -3.857 2.793 -7.656 39 HG2 GLU 6 2HG GLU 6 -2.101 2.181 -9.574 40 HG3 GLU 6 3HG GLU 6 -2.097 3.937 -9.729 41 H ALA 7 H ALA 7 -5.901 3.857 -11.137 42 HA ALA 7 HA ALA 7 -4.670 2.939 -13.581 43 HB1 ALA 7 1HB ALA 7 -6.418 3.878 -14.624 44 HB2 ALA 7 2HB ALA 7 -7.112 3.995 -13.007 45 HB3 ALA 7 3HB ALA 7 -6.282 5.382 -13.713 46 HA PRO 8 HA PRO 8 -1.480 5.918 -14.027 47 HB2 PRO 8 2HB PRO 8 -1.600 6.509 -16.674 48 HB3 PRO 8 3HB PRO 8 -1.003 4.962 -16.061 49 HG2 PRO 8 2HG PRO 8 -3.700 5.649 -17.164 50 HG3 PRO 8 3HG PRO 8 -2.701 4.215 -17.463 51 HD2 PRO 8 2HD PRO 8 -4.787 4.203 -15.736 52 HD3 PRO 8 3HD PRO 8 -3.340 3.204 -15.492 53 H ALA 9 H ALA 9 -4.384 6.911 -15.850 54 HA ALA 9 HA ALA 9 -4.798 9.285 -14.426 55 HB1 ALA 9 1HB ALA 9 -4.069 10.535 -16.816 56 HB2 ALA 9 2HB ALA 9 -3.267 10.668 -15.250 57 HB3 ALA 9 3HB ALA 9 -2.728 9.461 -16.417 58 H ARG 10 H ARG 10 -4.809 8.849 -17.954 59 HA ARG 10 HA ARG 10 -7.551 9.623 -18.144 60 HB2 ARG 10 2HB ARG 10 -5.390 8.871 -20.014 61 HB3 ARG 10 3HB ARG 10 -7.025 8.544 -20.573 62 HG2 ARG 10 2HG ARG 10 -6.414 10.694 -21.366 63 HG3 ARG 10 3HG ARG 10 -7.585 10.927 -20.066 64 HD2 ARG 10 2HD ARG 10 -6.112 12.031 -18.796 65 HD3 ARG 10 3HD ARG 10 -4.831 10.864 -19.122 66 HE ARG 10 HE ARG 10 -5.269 13.372 -20.449 67 HH11 ARG 10 1HH1 ARG 10 -3.896 10.186 -20.745 68 HH12 ARG 10 2HH1 ARG 10 -2.749 10.651 -21.957 69 HH21 ARG 10 1HH2 ARG 10 -3.764 13.996 -22.045 70 HH22 ARG 10 2HH2 ARG 10 -2.674 12.818 -22.696 71 H SER 11 H SER 11 -5.830 6.577 -18.061 72 HA SER 11 HA SER 11 -7.855 4.892 -19.019 73 HB2 SER 11 2HB SER 11 -5.269 4.572 -18.000 74 HB3 SER 11 3HB SER 11 -6.301 3.641 -16.914 75 HG SER 11 HG SER 11 -6.028 3.381 -19.720 76 H GLY 12 H GLY 12 -9.588 3.916 -18.091 77 HA2 GLY 12 2HA GLY 12 -11.252 3.491 -16.566 78 HA3 GLY 12 3HA GLY 12 -10.034 3.686 -15.314 79 H GLY 13 H GLY 13 -12.013 4.590 -14.215 80 HA2 GLY 13 2HA GLY 13 -13.259 6.960 -14.954 81 HA3 GLY 13 3HA GLY 13 -13.050 6.419 -13.295 82 H LYS 14 H LYS 14 -13.021 9.123 -14.125 83 HA LYS 14 HA LYS 14 -10.335 9.850 -13.224 84 HB2 LYS 14 2HB LYS 14 -11.394 10.340 -15.873 85 HB3 LYS 14 3HB LYS 14 -11.028 11.854 -15.056 86 HG2 LYS 14 2HG LYS 14 -8.826 10.257 -14.535 87 HG3 LYS 14 3HG LYS 14 -9.244 9.896 -16.211 88 HD2 LYS 14 2HD LYS 14 -7.998 11.726 -16.643 89 HD3 LYS 14 3HD LYS 14 -9.479 12.588 -16.216 90 HE2 LYS 14 2HE LYS 14 -8.639 13.326 -14.248 91 HE3 LYS 14 3HE LYS 14 -7.706 11.856 -13.972 92 HZ1 LYS 14 1HZ LYS 14 -6.579 13.109 -16.170 93 HZ2 LYS 14 2HZ LYS 14 -5.921 12.967 -14.619 94 HZ3 LYS 14 3HZ LYS 14 -6.840 14.328 -15.026 95 H VAL 15 H VAL 15 -10.315 11.478 -11.775 96 HA VAL 15 HA VAL 15 -12.560 13.314 -11.584 97 HB VAL 15 HB VAL 15 -11.796 11.526 -9.272 98 HG11 VAL 15 1HG1 VAL 15 -13.727 13.833 -9.442 99 HG12 VAL 15 2HG1 VAL 15 -13.653 12.693 -8.098 100 HG13 VAL 15 3HG1 VAL 15 -12.271 13.731 -8.453 101 HG21 VAL 15 1HG2 VAL 15 -14.163 10.784 -9.432 102 HG22 VAL 15 2HG2 VAL 15 -14.307 11.700 -10.933 103 HG23 VAL 15 3HG2 VAL 15 -13.187 10.341 -10.833 104 H THR 16 H THR 16 -12.025 15.258 -10.683 105 HA THR 16 HA THR 16 -9.230 15.553 -9.793 106 HB THR 16 HB THR 16 -10.037 18.094 -10.486 107 HG1 THR 16 HG1 THR 16 -11.801 17.660 -11.651 108 HG21 THR 16 1HG2 THR 16 -8.781 16.309 -12.533 109 HG22 THR 16 2HG2 THR 16 -7.933 16.647 -11.023 110 HG23 THR 16 3HG2 THR 16 -8.380 17.970 -12.100 111 H PHE 17 H PHE 17 -8.825 16.508 -7.877 112 HA PHE 17 HA PHE 17 -11.114 17.654 -6.417 113 HB2 PHE 17 2HB PHE 17 -8.846 15.989 -5.304 114 HB3 PHE 17 3HB PHE 17 -10.090 16.776 -4.337 115 HD1 PHE 17 HD1 PHE 17 -9.149 13.811 -5.984 116 HD2 PHE 17 HD2 PHE 17 -12.547 16.145 -4.927 117 HE1 PHE 17 HE1 PHE 17 -10.583 11.826 -6.227 118 HE2 PHE 17 HE2 PHE 17 -13.986 14.165 -5.167 119 HZ PHE 17 HZ PHE 17 -13.005 12.001 -5.817 120 H ARG 18 H ARG 18 -10.844 19.633 -5.584 121 HA ARG 18 HA ARG 18 -8.220 20.893 -5.898 122 HB2 ARG 18 2HB ARG 18 -10.159 21.993 -6.952 123 HB3 ARG 18 3HB ARG 18 -10.924 22.141 -5.375 124 HG2 ARG 18 2HG ARG 18 -8.858 23.470 -4.688 125 HG3 ARG 18 3HG ARG 18 -8.493 23.553 -6.413 126 HD2 ARG 18 2HD ARG 18 -10.016 25.145 -6.739 127 HD3 ARG 18 3HD ARG 18 -11.254 24.221 -5.888 128 HE ARG 18 HE ARG 18 -9.741 25.217 -3.881 129 HH11 ARG 18 1HH1 ARG 18 -11.299 26.657 -6.642 130 HH12 ARG 18 2HH1 ARG 18 -11.562 28.182 -5.862 131 HH21 ARG 18 1HH2 ARG 18 -10.083 27.219 -2.843 132 HH22 ARG 18 2HH2 ARG 18 -10.870 28.501 -3.701 133 H ILE 19 H ILE 19 -6.990 20.619 -4.139 134 HA ILE 19 HA ILE 19 -8.220 21.075 -1.500 135 HB ILE 19 HB ILE 19 -6.240 19.837 -0.586 136 HG12 ILE 19 2HG1 ILE 19 -5.821 19.135 -3.500 137 HG13 ILE 19 3HG1 ILE 19 -4.747 20.123 -2.516 138 HG21 ILE 19 1HG2 ILE 19 -7.542 18.030 -0.544 139 HG22 ILE 19 2HG2 ILE 19 -8.612 18.890 -1.650 140 HG23 ILE 19 3HG2 ILE 19 -7.389 17.790 -2.285 141 HD11 ILE 19 1HD1 ILE 19 -3.851 17.906 -2.725 142 HD12 ILE 19 2HD1 ILE 19 -4.358 18.174 -1.057 143 HD13 ILE 19 3HD1 ILE 19 -5.357 17.202 -2.138 144 H ILE 20 H ILE 20 -7.515 22.715 -0.278 145 HA ILE 20 HA ILE 20 -5.427 24.434 -1.365 146 HB ILE 20 HB ILE 20 -7.307 24.886 0.955 147 HG12 ILE 20 2HG1 ILE 20 -8.488 24.806 -1.175 148 HG13 ILE 20 3HG1 ILE 20 -8.425 26.465 -0.589 149 HG21 ILE 20 1HG2 ILE 20 -6.274 27.306 -0.071 150 HG22 ILE 20 2HG2 ILE 20 -6.020 26.599 1.523 151 HG23 ILE 20 3HG2 ILE 20 -4.907 26.227 0.207 152 HD11 ILE 20 1HD1 ILE 20 -8.018 26.397 -2.963 153 HD12 ILE 20 2HD1 ILE 20 -6.556 26.908 -2.118 154 HD13 ILE 20 3HD1 ILE 20 -6.690 25.259 -2.730 155 H LEU 21 H LEU 21 -3.411 24.387 -0.643 156 HA LEU 21 HA LEU 21 -2.755 22.851 1.727 157 HB2 LEU 21 2HB LEU 21 -0.482 23.045 1.038 158 HB3 LEU 21 3HB LEU 21 -1.456 22.664 -0.380 159 HG LEU 21 HG LEU 21 -0.845 25.524 0.135 160 HD11 LEU 21 1HD1 LEU 21 1.188 23.440 -0.392 161 HD12 LEU 21 2HD1 LEU 21 1.341 25.000 0.415 162 HD13 LEU 21 3HD1 LEU 21 1.288 24.920 -1.346 163 HD21 LEU 21 1HD2 LEU 21 -0.393 25.047 -2.476 164 HD22 LEU 21 2HD2 LEU 21 -1.983 25.422 -1.810 165 HD23 LEU 21 3HD2 LEU 21 -1.527 23.745 -2.115 166 H THR 22 H THR 22 -1.730 23.639 3.557 167 HA THR 22 HA THR 22 -2.253 26.438 4.130 168 HB THR 22 HB THR 22 -2.906 24.839 5.827 169 HG1 THR 22 HG1 THR 22 -1.610 25.735 7.590 170 HG21 THR 22 1HG2 THR 22 -0.399 23.627 5.182 171 HG22 THR 22 2HG2 THR 22 -1.701 23.002 6.195 172 HG23 THR 22 3HG2 THR 22 -0.431 23.997 6.906 173 H SER 23 H SER 23 0.312 24.633 2.958 174 HA SER 23 HA SER 23 2.443 26.088 4.239 175 HB2 SER 23 2HB SER 23 3.071 23.913 3.626 176 HB3 SER 23 3HB SER 23 2.310 24.039 2.040 177 HG SER 23 HG SER 23 4.599 24.207 1.935 178 H GLU 24 H GLU 24 0.357 26.625 1.612 179 HA GLU 24 HA GLU 24 1.966 28.937 0.799 180 HB2 GLU 24 2HB GLU 24 0.675 26.978 -1.107 181 HB3 GLU 24 3HB GLU 24 1.408 28.506 -1.576 182 HG2 GLU 24 2HG GLU 24 2.983 26.442 -0.092 183 HG3 GLU 24 3HG GLU 24 2.764 26.337 -1.838 184 H ARG 25 H ARG 25 -0.013 29.294 2.517 185 HA ARG 25 HA ARG 25 -2.610 29.577 1.498 186 HB2 ARG 25 2HB ARG 25 -1.500 29.842 3.952 187 HB3 ARG 25 3HB ARG 25 -1.742 31.534 3.537 188 HG2 ARG 25 2HG ARG 25 -4.148 30.727 2.908 189 HG3 ARG 25 3HG ARG 25 -3.752 29.385 3.983 190 HD2 ARG 25 2HD ARG 25 -3.193 32.144 4.931 191 HD3 ARG 25 3HD ARG 25 -4.875 31.618 4.870 192 HE ARG 25 HE ARG 25 -3.501 29.606 6.155 193 HH11 ARG 25 1HH1 ARG 25 -4.085 33.000 6.661 194 HH12 ARG 25 2HH1 ARG 25 -3.996 32.891 8.388 195 HH21 ARG 25 1HH2 ARG 25 -3.381 29.449 8.427 196 HH22 ARG 25 2HH2 ARG 25 -3.595 30.871 9.391 197 H SER 26 H SER 26 0.216 31.400 0.933 198 HA SER 26 HA SER 26 -0.794 33.960 0.479 199 HB2 SER 26 2HB SER 26 1.641 32.499 -0.137 200 HB3 SER 26 3HB SER 26 1.207 33.610 -1.436 201 HG SER 26 HG SER 26 1.487 35.283 -0.129 202 H GLN 27 H GLN 27 -0.846 31.087 -1.523 203 HA GLN 27 HA GLN 27 -2.988 32.004 -3.100 204 HB2 GLN 27 2HB GLN 27 -1.269 33.457 -4.090 205 HB3 GLN 27 3HB GLN 27 -0.296 32.044 -4.475 206 HG2 GLN 27 2HG GLN 27 -1.729 31.349 -6.152 207 HG3 GLN 27 3HG GLN 27 -3.084 32.281 -5.517 208 HE21 GLN 27 1HE2 GLN 27 -3.495 33.298 -7.456 209 HE22 GLN 27 2HE2 GLN 27 -2.451 34.504 -8.118 210 HA PRO 28 HA PRO 28 -1.990 27.444 -3.031 211 HB2 PRO 28 2HB PRO 28 -4.364 26.682 -1.957 212 HB3 PRO 28 3HB PRO 28 -2.969 27.143 -0.974 213 HG2 PRO 28 2HG PRO 28 -5.369 28.763 -1.733 214 HG3 PRO 28 3HG PRO 28 -4.549 28.646 -0.166 215 HD2 PRO 28 2HD PRO 28 -4.159 30.720 -1.863 216 HD3 PRO 28 3HD PRO 28 -2.884 30.115 -0.786 217 H PHE 29 H PHE 29 -2.518 26.128 -4.685 218 HA PHE 29 HA PHE 29 -5.074 26.121 -5.944 219 HB2 PHE 29 2HB PHE 29 -4.493 27.015 -8.095 220 HB3 PHE 29 3HB PHE 29 -4.057 28.215 -6.883 221 HD1 PHE 29 HD1 PHE 29 -1.553 27.932 -5.987 222 HD2 PHE 29 HD2 PHE 29 -2.990 26.629 -9.775 223 HE1 PHE 29 HE1 PHE 29 0.741 27.998 -6.875 224 HE2 PHE 29 HE2 PHE 29 -0.698 26.691 -10.669 225 HZ PHE 29 HZ PHE 29 1.170 27.376 -9.219 226 H ARG 30 H ARG 30 -3.386 24.192 -4.760 227 HA ARG 30 HA ARG 30 -2.267 22.656 -6.973 228 HB2 ARG 30 2HB ARG 30 -2.064 22.552 -4.003 229 HB3 ARG 30 3HB ARG 30 -1.829 21.054 -4.894 230 HG2 ARG 30 2HG ARG 30 -0.290 23.601 -5.353 231 HG3 ARG 30 3HG ARG 30 0.279 22.218 -4.416 232 HD2 ARG 30 2HD ARG 30 -0.115 20.837 -6.517 233 HD3 ARG 30 3HD ARG 30 -0.279 22.374 -7.366 234 HE ARG 30 HE ARG 30 2.145 21.157 -6.466 235 HH11 ARG 30 1HH1 ARG 30 0.593 24.204 -7.117 236 HH12 ARG 30 2HH1 ARG 30 2.078 25.045 -7.418 237 HH21 ARG 30 1HH2 ARG 30 4.106 22.252 -6.859 238 HH22 ARG 30 2HH2 ARG 30 4.075 23.933 -7.272 239 H VAL 31 H VAL 31 -3.549 21.336 -8.070 240 HA VAL 31 HA VAL 31 -5.846 20.116 -6.690 241 HB VAL 31 HB VAL 31 -6.856 19.805 -8.895 242 HG11 VAL 31 1HG1 VAL 31 -7.579 21.988 -9.175 243 HG12 VAL 31 2HG1 VAL 31 -6.975 21.998 -7.517 244 HG13 VAL 31 3HG1 VAL 31 -5.991 22.668 -8.819 245 HG21 VAL 31 1HG2 VAL 31 -5.427 19.627 -10.610 246 HG22 VAL 31 2HG2 VAL 31 -5.470 21.390 -10.646 247 HG23 VAL 31 3HG2 VAL 31 -4.176 20.557 -9.785 248 H ILE 32 H ILE 32 -6.089 17.941 -6.636 249 HA ILE 32 HA ILE 32 -3.871 16.345 -7.711 250 HB ILE 32 HB ILE 32 -4.716 14.569 -6.142 251 HG12 ILE 32 2HG1 ILE 32 -6.356 16.860 -5.036 252 HG13 ILE 32 3HG1 ILE 32 -7.011 15.478 -5.908 253 HG21 ILE 32 1HG2 ILE 32 -3.205 16.914 -5.618 254 HG22 ILE 32 2HG2 ILE 32 -4.134 16.524 -4.171 255 HG23 ILE 32 3HG2 ILE 32 -3.056 15.321 -4.878 256 HD11 ILE 32 1HD1 ILE 32 -5.351 14.706 -3.652 257 HD12 ILE 32 2HD1 ILE 32 -6.739 15.691 -3.192 258 HD13 ILE 32 3HD1 ILE 32 -6.980 14.195 -4.094 259 H SER 33 H SER 33 -4.187 14.851 -9.245 260 HA SER 33 HA SER 33 -6.942 14.425 -10.177 261 HB2 SER 33 2HB SER 33 -5.732 13.577 -12.278 262 HB3 SER 33 3HB SER 33 -5.653 15.308 -11.951 263 HG SER 33 HG SER 33 -3.576 15.075 -11.972 264 H ILE 34 H ILE 34 -7.867 12.547 -9.741 265 HA ILE 34 HA ILE 34 -6.319 10.089 -9.825 266 HB ILE 34 HB ILE 34 -7.027 9.291 -7.658 267 HG12 ILE 34 2HG1 ILE 34 -8.306 12.011 -7.304 268 HG13 ILE 34 3HG1 ILE 34 -9.168 10.491 -7.522 269 HG21 ILE 34 1HG2 ILE 34 -5.673 10.701 -6.233 270 HG22 ILE 34 2HG2 ILE 34 -4.924 10.565 -7.822 271 HG23 ILE 34 3HG2 ILE 34 -5.800 12.031 -7.383 272 HD11 ILE 34 1HD1 ILE 34 -7.583 9.934 -5.380 273 HD12 ILE 34 2HD1 ILE 34 -7.957 11.640 -5.131 274 HD13 ILE 34 3HD1 ILE 34 -9.262 10.466 -5.297 275 H ALA 35 H ALA 35 -7.696 8.158 -9.752 276 HA ALA 35 HA ALA 35 -10.086 8.561 -11.294 277 HB1 ALA 35 1HB ALA 35 -9.497 5.876 -10.216 278 HB2 ALA 35 2HB ALA 35 -9.917 6.377 -11.854 279 HB3 ALA 35 3HB ALA 35 -8.270 6.590 -11.262 280 H GLU 36 H GLU 36 -12.197 7.890 -10.736 281 HA GLU 36 HA GLU 36 -13.043 8.603 -8.165 282 HB2 GLU 36 2HB GLU 36 -15.234 7.611 -8.848 283 HB3 GLU 36 3HB GLU 36 -14.574 8.761 -10.003 284 HG2 GLU 36 2HG GLU 36 -14.529 7.247 -11.620 285 HG3 GLU 36 3HG GLU 36 -13.719 6.067 -10.591 286 H GLU 37 H GLU 37 -11.906 5.602 -9.432 287 HA GLU 37 HA GLU 37 -12.680 4.250 -6.930 288 HB2 GLU 37 2HB GLU 37 -12.644 3.351 -9.747 289 HB3 GLU 37 3HB GLU 37 -12.053 2.190 -8.567 290 HG2 GLU 37 2HG GLU 37 -14.684 3.581 -8.225 291 HG3 GLU 37 3HG GLU 37 -14.524 2.112 -9.185 292 H ALA 38 H ALA 38 -10.188 5.812 -8.121 293 HA ALA 38 HA ALA 38 -8.091 3.854 -7.738 294 HB1 ALA 38 1HB ALA 38 -7.545 5.379 -9.401 295 HB2 ALA 38 2HB ALA 38 -8.143 6.756 -8.474 296 HB3 ALA 38 3HB ALA 38 -6.635 5.967 -8.009 297 HA PRO 39 HA PRO 39 -7.334 4.519 -3.464 298 HB2 PRO 39 2HB PRO 39 -4.646 4.154 -3.355 299 HB3 PRO 39 3HB PRO 39 -5.787 2.826 -3.602 300 HG2 PRO 39 2HG PRO 39 -4.146 4.314 -5.616 301 HG3 PRO 39 3HG PRO 39 -4.453 2.572 -5.490 302 HD2 PRO 39 2HD PRO 39 -5.776 4.162 -7.238 303 HD3 PRO 39 3HD PRO 39 -6.525 2.738 -6.487 304 H LEU 40 H LEU 40 -6.032 5.828 -1.923 305 HA LEU 40 HA LEU 40 -6.017 8.551 -2.684 306 HB2 LEU 40 2HB LEU 40 -6.477 8.013 -0.422 307 HB3 LEU 40 3HB LEU 40 -4.978 7.101 -0.264 308 HG LEU 40 HG LEU 40 -3.828 9.388 -0.671 309 HD11 LEU 40 1HD1 LEU 40 -5.158 11.136 -0.963 310 HD12 LEU 40 2HD1 LEU 40 -5.773 10.907 0.673 311 HD13 LEU 40 3HD1 LEU 40 -6.589 10.142 -0.690 312 HD21 LEU 40 1HD2 LEU 40 -3.383 8.623 1.411 313 HD22 LEU 40 2HD2 LEU 40 -5.075 8.267 1.764 314 HD23 LEU 40 3HD2 LEU 40 -4.481 9.925 1.870 315 H THR 41 H THR 41 -3.550 6.091 -2.562 316 HA THR 41 HA THR 41 -1.220 7.546 -2.489 317 HB THR 41 HB THR 41 -1.580 5.241 -4.397 318 HG1 THR 41 HG1 THR 41 -1.645 5.295 -1.588 319 HG21 THR 41 1HG2 THR 41 0.611 5.822 -4.616 320 HG22 THR 41 2HG2 THR 41 0.760 4.818 -3.174 321 HG23 THR 41 3HG2 THR 41 0.684 6.573 -3.023 322 H ALA 42 H ALA 42 -3.498 7.221 -5.121 323 HA ALA 42 HA ALA 42 -1.909 8.141 -7.235 324 HB1 ALA 42 1HB ALA 42 -4.053 8.745 -8.318 325 HB2 ALA 42 2HB ALA 42 -4.045 7.113 -7.651 326 HB3 ALA 42 3HB ALA 42 -4.880 8.411 -6.797 327 H ALA 43 H ALA 43 -3.947 9.919 -4.937 328 HA ALA 43 HA ALA 43 -3.334 12.475 -6.085 329 HB1 ALA 43 1HB ALA 43 -5.040 11.446 -3.960 330 HB2 ALA 43 2HB ALA 43 -4.295 12.996 -3.566 331 HB3 ALA 43 3HB ALA 43 -5.268 12.831 -5.028 332 H LEU 44 H LEU 44 -1.980 10.455 -3.598 333 HA LEU 44 HA LEU 44 -0.597 12.242 -2.029 334 HB2 LEU 44 2HB LEU 44 -0.683 9.824 -1.637 335 HB3 LEU 44 3HB LEU 44 0.376 9.566 -3.022 336 HG LEU 44 HG LEU 44 1.491 11.356 -0.990 337 HD11 LEU 44 1HD1 LEU 44 1.534 8.502 -0.196 338 HD12 LEU 44 2HD1 LEU 44 0.084 9.432 0.177 339 HD13 LEU 44 3HD1 LEU 44 1.650 9.958 0.792 340 HD21 LEU 44 1HD2 LEU 44 2.764 10.511 -2.890 341 HD22 LEU 44 2HD2 LEU 44 2.488 8.855 -2.351 342 HD23 LEU 44 3HD2 LEU 44 3.457 9.952 -1.367 343 H ARG 45 H ARG 45 0.075 11.233 -5.300 344 HA ARG 45 HA ARG 45 2.724 11.925 -5.607 345 HB2 ARG 45 2HB ARG 45 0.538 11.358 -7.310 346 HB3 ARG 45 3HB ARG 45 1.257 12.853 -7.893 347 HG2 ARG 45 2HG ARG 45 2.503 11.360 -9.061 348 HG3 ARG 45 3HG ARG 45 3.491 11.472 -7.603 349 HD2 ARG 45 2HD ARG 45 1.776 9.518 -6.880 350 HD3 ARG 45 3HD ARG 45 1.848 9.246 -8.621 351 HE ARG 45 HE ARG 45 3.879 8.659 -6.720 352 HH11 ARG 45 1HH1 ARG 45 3.360 9.709 -9.999 353 HH12 ARG 45 2HH1 ARG 45 4.873 9.092 -10.574 354 HH21 ARG 45 1HH2 ARG 45 5.874 7.842 -7.466 355 HH22 ARG 45 2HH2 ARG 45 6.302 8.030 -9.133 356 H PHE 46 H PHE 46 -0.083 14.063 -6.133 357 HA PHE 46 HA PHE 46 1.652 16.384 -6.236 358 HB2 PHE 46 2HB PHE 46 -1.214 15.831 -6.802 359 HB3 PHE 46 3HB PHE 46 -0.794 17.471 -6.319 360 HD1 PHE 46 HD1 PHE 46 -0.201 18.973 -7.951 361 HD2 PHE 46 HD2 PHE 46 0.329 14.813 -8.681 362 HE1 PHE 46 HE1 PHE 46 0.508 19.470 -10.254 363 HE2 PHE 46 HE2 PHE 46 1.039 15.304 -10.984 364 HZ PHE 46 HZ PHE 46 1.130 17.635 -11.774 365 H ALA 47 H ALA 47 -0.585 14.855 -4.027 366 HA ALA 47 HA ALA 47 -1.022 16.943 -2.231 367 HB1 ALA 47 1HB ALA 47 -0.916 14.664 -0.657 368 HB2 ALA 47 2HB ALA 47 -2.338 15.317 -1.472 369 HB3 ALA 47 3HB ALA 47 -1.369 14.069 -2.255 370 H ALA 48 H ALA 48 1.730 14.823 -2.639 371 HA ALA 48 HA ALA 48 3.020 15.208 -0.196 372 HB1 ALA 48 1HB ALA 48 4.276 13.685 -1.224 373 HB2 ALA 48 2HB ALA 48 3.717 14.191 -2.818 374 HB3 ALA 48 3HB ALA 48 5.067 15.028 -2.051 375 H GLU 49 H GLU 49 2.687 17.313 -2.939 376 HA GLU 49 HA GLU 49 4.815 19.089 -2.147 377 HB2 GLU 49 2HB GLU 49 2.602 19.698 -4.102 378 HB3 GLU 49 3HB GLU 49 4.205 20.417 -4.024 379 HG2 GLU 49 2HG GLU 49 3.400 17.717 -5.018 380 HG3 GLU 49 3HG GLU 49 4.330 18.973 -5.833 381 H GLU 50 H GLU 50 1.317 18.943 -1.825 382 HA GLU 50 HA GLU 50 0.838 21.547 -0.934 383 HB2 GLU 50 2HB GLU 50 -0.563 18.928 -0.516 384 HB3 GLU 50 3HB GLU 50 -1.114 20.367 0.331 385 HG2 GLU 50 2HG GLU 50 -2.441 20.274 -1.575 386 HG3 GLU 50 3HG GLU 50 -1.210 21.474 -1.962 387 H PHE 51 H PHE 51 2.024 18.716 0.755 388 HA PHE 51 HA PHE 51 2.079 20.226 3.273 389 HB2 PHE 51 2HB PHE 51 1.397 17.564 2.698 390 HB3 PHE 51 3HB PHE 51 2.953 17.482 3.518 391 HD1 PHE 51 HD1 PHE 51 -0.529 17.661 3.952 392 HD2 PHE 51 HD2 PHE 51 3.146 18.908 5.699 393 HE1 PHE 51 HE1 PHE 51 -1.661 17.951 6.117 394 HE2 PHE 51 HE2 PHE 51 2.020 19.199 7.868 395 HZ PHE 51 HZ PHE 51 -0.386 18.720 8.079 396 H GLY 52 H GLY 52 4.067 18.989 0.762 397 HA2 GLY 52 2HA GLY 52 6.317 19.276 0.367 398 HA3 GLY 52 3HA GLY 52 6.383 20.280 1.808 399 H ILE 53 H ILE 53 5.021 17.302 2.519 400 HA ILE 53 HA ILE 53 7.554 15.957 3.021 401 HB ILE 53 HB ILE 53 7.162 15.617 5.375 402 HG12 ILE 53 2HG1 ILE 53 4.701 17.340 5.008 403 HG13 ILE 53 3HG1 ILE 53 4.707 15.610 5.333 404 HG21 ILE 53 1HG2 ILE 53 8.308 17.711 4.521 405 HG22 ILE 53 2HG2 ILE 53 6.809 18.562 4.891 406 HG23 ILE 53 3HG2 ILE 53 7.711 17.765 6.179 407 HD11 ILE 53 1HD1 ILE 53 4.672 17.723 7.179 408 HD12 ILE 53 2HD1 ILE 53 4.774 15.992 7.505 409 HD13 ILE 53 3HD1 ILE 53 6.247 16.945 7.327 410 H ALA 54 H ALA 54 6.811 13.892 4.547 411 HA ALA 54 HA ALA 54 4.339 12.759 3.499 412 HB1 ALA 54 1HB ALA 54 6.078 12.206 1.833 413 HB2 ALA 54 2HB ALA 54 6.983 11.368 3.094 414 HB3 ALA 54 3HB ALA 54 5.393 10.779 2.612 415 H SER 55 H SER 55 3.616 12.778 5.646 416 HA SER 55 HA SER 55 4.046 10.448 7.126 417 HB2 SER 55 2HB SER 55 5.038 11.953 9.159 418 HB3 SER 55 3HB SER 55 6.038 10.976 8.083 419 HG SER 55 HG SER 55 6.970 12.860 7.790 420 H VAL 56 H VAL 56 3.749 13.772 8.350 421 HA VAL 56 HA VAL 56 1.431 13.157 9.875 422 HB VAL 56 HB VAL 56 1.336 15.510 10.418 423 HG11 VAL 56 1HG1 VAL 56 4.187 15.502 10.517 424 HG12 VAL 56 2HG1 VAL 56 3.032 15.183 11.812 425 HG13 VAL 56 3HG1 VAL 56 3.600 13.862 10.789 426 HG21 VAL 56 1HG2 VAL 56 1.723 16.913 8.712 427 HG22 VAL 56 2HG2 VAL 56 3.417 16.780 9.186 428 HG23 VAL 56 3HG2 VAL 56 2.782 15.770 7.886 429 H ASP 57 H ASP 57 1.920 14.067 6.613 430 HA ASP 57 HA ASP 57 -0.494 15.417 6.083 431 HB2 ASP 57 2HB ASP 57 0.003 15.126 3.791 432 HB3 ASP 57 3HB ASP 57 1.570 15.234 4.588 433 H SER 58 H SER 58 0.187 12.119 6.712 434 HA SER 58 HA SER 58 -1.862 10.846 5.292 435 HB2 SER 58 2HB SER 58 -0.253 10.184 7.718 436 HB3 SER 58 3HB SER 58 -1.682 9.210 7.376 437 HG SER 58 HG SER 58 -0.756 8.961 5.211 438 H MET 59 H MET 59 -1.952 12.840 8.100 439 HA MET 59 HA MET 59 -4.839 12.712 8.137 440 HB2 MET 59 2HB MET 59 -3.154 11.687 10.402 441 HB3 MET 59 3HB MET 59 -4.740 12.382 10.710 442 HG2 MET 59 2HG MET 59 -5.674 10.728 9.074 443 HG3 MET 59 3HG MET 59 -4.088 9.961 9.057 444 HE1 MET 59 1HE MET 59 -2.993 9.111 11.812 445 HE2 MET 59 2HE MET 59 -4.030 7.686 11.877 446 HE3 MET 59 3HE MET 59 -3.421 8.263 10.325 447 H ALA 60 H ALA 60 -4.060 14.891 7.342 448 HA ALA 60 HA ALA 60 -4.116 16.741 9.593 449 HB1 ALA 60 1HB ALA 60 -1.903 17.068 9.461 450 HB2 ALA 60 2HB ALA 60 -1.789 16.330 7.863 451 HB3 ALA 60 3HB ALA 60 -2.290 18.013 8.023 452 H ALA 61 H ALA 61 -6.316 16.776 8.567 453 HA ALA 61 HA ALA 61 -6.549 19.110 6.934 454 HB1 ALA 61 1HB ALA 61 -6.262 17.939 5.003 455 HB2 ALA 61 2HB ALA 61 -6.848 16.428 5.700 456 HB3 ALA 61 3HB ALA 61 -7.993 17.684 5.229 457 H THR 62 H THR 62 -8.725 19.854 6.742 458 HA THR 62 HA THR 62 -10.734 18.376 8.282 459 HB THR 62 HB THR 62 -11.381 20.784 9.174 460 HG1 THR 62 HG1 THR 62 -9.743 21.970 8.249 461 HG21 THR 62 1HG2 THR 62 -10.956 18.954 10.657 462 HG22 THR 62 2HG2 THR 62 -9.983 20.319 11.205 463 HG23 THR 62 3HG2 THR 62 -9.228 19.002 10.308 464 H THR 63 H THR 63 -12.927 19.129 7.922 465 HA THR 63 HA THR 63 -13.267 20.087 5.185 466 HB THR 63 HB THR 63 -14.445 18.017 5.953 467 HG1 THR 63 HG1 THR 63 -16.431 19.913 5.339 468 HG21 THR 63 1HG2 THR 63 -15.891 17.975 7.683 469 HG22 THR 63 2HG2 THR 63 -16.546 19.568 7.304 470 HG23 THR 63 3HG2 THR 63 -15.035 19.426 8.202 471 H LYS 64 H LYS 64 -15.124 21.571 4.753 472 HA LYS 64 HA LYS 64 -14.796 23.988 6.163 473 HB2 LYS 64 2HB LYS 64 -17.142 23.296 4.396 474 HB3 LYS 64 3HB LYS 64 -16.473 24.891 4.721 475 HG2 LYS 64 2HG LYS 64 -15.168 22.678 3.151 476 HG3 LYS 64 3HG LYS 64 -15.843 24.179 2.512 477 HD2 LYS 64 2HD LYS 64 -13.857 25.141 2.781 478 HD3 LYS 64 3HD LYS 64 -14.012 24.911 4.524 479 HE2 LYS 64 2HE LYS 64 -12.601 23.148 4.547 480 HE3 LYS 64 3HE LYS 64 -13.172 22.538 2.995 481 HZ1 LYS 64 1HZ LYS 64 -11.228 24.727 3.463 482 HZ2 LYS 64 2HZ LYS 64 -11.909 24.399 1.950 483 HZ3 LYS 64 3HZ LYS 64 -10.942 23.239 2.711 484 H ASP 65 H ASP 65 -16.977 21.321 6.568 485 HA ASP 65 HA ASP 65 -18.881 22.733 8.181 486 HB2 ASP 65 2HB ASP 65 -18.899 20.332 6.852 487 HB3 ASP 65 3HB ASP 65 -18.742 19.822 8.531 488 H GLY 66 H GLY 66 -15.847 21.195 8.727 489 HA2 GLY 66 2HA GLY 66 -15.073 22.140 11.048 490 HA3 GLY 66 3HA GLY 66 -16.311 21.029 11.616 491 H THR 67 H THR 67 -15.769 18.965 11.962 492 HA THR 67 HA THR 67 -13.054 18.167 11.818 493 HB THR 67 HB THR 67 -15.016 15.990 12.038 494 HG1 THR 67 HG1 THR 67 -14.973 17.829 14.179 495 HG21 THR 67 1HG2 THR 67 -13.718 15.728 14.229 496 HG22 THR 67 2HG2 THR 67 -12.683 17.023 13.628 497 HG23 THR 67 3HG2 THR 67 -12.820 15.514 12.727 498 H GLY 68 H GLY 68 -11.943 17.128 10.276 499 HA2 GLY 68 2HA GLY 68 -13.441 15.810 8.111 500 HA3 GLY 68 3HA GLY 68 -12.207 16.998 7.718 501 H ILE 69 H ILE 69 -12.682 13.957 9.495 502 HA ILE 69 HA ILE 69 -9.870 13.333 9.416 503 HB ILE 69 HB ILE 69 -11.343 12.605 11.284 504 HG12 ILE 69 2HG1 ILE 69 -10.421 10.310 11.437 505 HG13 ILE 69 3HG1 ILE 69 -9.985 10.389 9.733 506 HG21 ILE 69 1HG2 ILE 69 -13.211 11.986 9.591 507 HG22 ILE 69 2HG2 ILE 69 -12.386 10.430 9.520 508 HG23 ILE 69 3HG2 ILE 69 -13.015 11.024 11.056 509 HD11 ILE 69 1HD1 ILE 69 -8.884 12.658 11.021 510 HD12 ILE 69 2HD1 ILE 69 -8.494 11.231 11.982 511 HD13 ILE 69 3HD1 ILE 69 -8.049 11.295 10.276 512 H ASN 70 H ASN 70 -8.811 12.043 8.017 513 HA ASN 70 HA ASN 70 -10.373 10.924 5.788 514 HB2 ASN 70 2HB ASN 70 -7.410 11.378 5.659 515 HB3 ASN 70 3HB ASN 70 -8.587 11.343 4.349 516 HD21 ASN 70 1HD2 ASN 70 -7.175 13.238 6.888 517 HD22 ASN 70 2HD2 ASN 70 -7.794 14.766 6.371 518 HA PRO 71 HA PRO 71 -8.870 7.223 8.076 519 HB2 PRO 71 2HB PRO 71 -11.077 5.735 7.540 520 HB3 PRO 71 3HB PRO 71 -10.985 6.861 8.899 521 HG2 PRO 71 2HG PRO 71 -12.239 7.240 6.207 522 HG3 PRO 71 3HG PRO 71 -12.857 7.700 7.805 523 HD2 PRO 71 2HD PRO 71 -11.687 9.476 6.129 524 HD3 PRO 71 3HD PRO 71 -11.565 9.606 7.896 525 H ALA 72 H ALA 72 -10.715 7.158 5.020 526 HA ALA 72 HA ALA 72 -8.835 5.133 4.010 527 HB1 ALA 72 1HB ALA 72 -11.295 5.695 2.483 528 HB2 ALA 72 2HB ALA 72 -10.520 4.157 2.869 529 HB3 ALA 72 3HB ALA 72 -11.519 4.968 4.075 530 H GLN 73 H GLN 73 -10.119 8.322 3.474 531 HA GLN 73 HA GLN 73 -9.661 9.951 1.948 532 HB2 GLN 73 2HB GLN 73 -6.982 8.752 1.422 533 HB3 GLN 73 3HB GLN 73 -7.422 10.432 1.698 534 HG2 GLN 73 2HG GLN 73 -8.005 9.448 4.107 535 HG3 GLN 73 3HG GLN 73 -6.754 8.301 3.628 536 HE21 GLN 73 1HE2 GLN 73 -5.022 8.889 4.749 537 HE22 GLN 73 2HE2 GLN 73 -4.336 10.475 4.777 538 H THR 74 H THR 74 -10.782 7.403 0.963 539 HA THR 74 HA THR 74 -9.614 6.938 -1.625 540 HB THR 74 HB THR 74 -12.387 6.029 -1.044 541 HG1 THR 74 HG1 THR 74 -11.768 4.628 0.503 542 HG21 THR 74 1HG2 THR 74 -11.772 4.933 -2.912 543 HG22 THR 74 2HG2 THR 74 -10.899 3.872 -1.806 544 HG23 THR 74 3HG2 THR 74 -10.054 5.193 -2.614 545 H ALA 75 H ALA 75 -10.845 7.164 -3.639 546 HA ALA 75 HA ALA 75 -11.755 9.797 -4.027 547 HB1 ALA 75 1HB ALA 75 -12.713 8.436 -6.202 548 HB2 ALA 75 2HB ALA 75 -11.088 9.105 -6.045 549 HB3 ALA 75 3HB ALA 75 -11.384 7.409 -5.662 550 H GLY 76 H GLY 76 -13.510 6.720 -3.767 551 HA2 GLY 76 2HA GLY 76 -16.081 7.802 -4.248 552 HA3 GLY 76 3HA GLY 76 -15.741 6.266 -3.465 553 H ASN 77 H ASN 77 -14.217 7.324 -1.290 554 HA ASN 77 HA ASN 77 -16.359 7.992 0.469 555 HB2 ASN 77 2HB ASN 77 -13.373 7.777 0.821 556 HB3 ASN 77 3HB ASN 77 -14.427 8.295 2.134 557 HD21 ASN 77 1HD2 ASN 77 -14.154 5.716 -0.285 558 HD22 ASN 77 2HD2 ASN 77 -14.661 4.443 0.767 559 H VAL 78 H VAL 78 -13.339 9.765 -0.227 560 HA VAL 78 HA VAL 78 -14.001 12.163 0.956 561 HB VAL 78 HB VAL 78 -12.341 13.226 -0.423 562 HG11 VAL 78 1HG1 VAL 78 -11.906 10.825 1.009 563 HG12 VAL 78 2HG1 VAL 78 -10.838 10.807 -0.396 564 HG13 VAL 78 3HG1 VAL 78 -10.782 12.156 0.739 565 HG21 VAL 78 1HG2 VAL 78 -12.645 12.702 -2.619 566 HG22 VAL 78 2HG2 VAL 78 -11.317 11.600 -2.257 567 HG23 VAL 78 3HG2 VAL 78 -12.976 11.003 -2.284 568 H PHE 79 H PHE 79 -15.105 10.847 -2.066 569 HA PHE 79 HA PHE 79 -15.958 13.126 -3.396 570 HB2 PHE 79 2HB PHE 79 -16.040 11.032 -4.536 571 HB3 PHE 79 3HB PHE 79 -17.108 10.337 -3.321 572 HD1 PHE 79 HD1 PHE 79 -19.467 10.761 -3.350 573 HD2 PHE 79 HD2 PHE 79 -16.890 12.604 -6.192 574 HE1 PHE 79 HE1 PHE 79 -21.422 11.414 -4.693 575 HE2 PHE 79 HE2 PHE 79 -18.841 13.261 -7.540 576 HZ PHE 79 HZ PHE 79 -21.111 12.667 -6.791 577 H MET 80 H MET 80 -17.720 11.157 -1.018 578 HA MET 80 HA MET 80 -19.833 13.176 -0.918 579 HB2 MET 80 2HB MET 80 -19.753 10.343 -0.593 580 HB3 MET 80 3HB MET 80 -20.315 11.051 0.915 581 HG2 MET 80 2HG MET 80 -21.496 11.793 -1.741 582 HG3 MET 80 3HG MET 80 -22.072 10.420 -0.797 583 HE1 MET 80 1HE MET 80 -24.097 12.517 -1.652 584 HE2 MET 80 2HE MET 80 -24.333 13.930 -0.623 585 HE3 MET 80 3HE MET 80 -22.943 13.850 -1.705 586 H LYS 81 H LYS 81 -17.093 12.066 0.836 587 HA LYS 81 HA LYS 81 -17.826 12.922 3.430 588 HB2 LYS 81 2HB LYS 81 -15.515 11.812 2.147 589 HB3 LYS 81 3HB LYS 81 -15.021 13.186 3.129 590 HG2 LYS 81 2HG LYS 81 -16.810 11.070 4.257 591 HG3 LYS 81 3HG LYS 81 -15.061 10.840 4.189 592 HD2 LYS 81 2HD LYS 81 -15.489 13.425 5.219 593 HD3 LYS 81 3HD LYS 81 -16.619 12.359 6.057 594 HE2 LYS 81 2HE LYS 81 -14.295 10.893 6.029 595 HE3 LYS 81 3HE LYS 81 -13.712 12.542 6.249 596 HZ1 LYS 81 1HZ LYS 81 -14.679 12.714 8.274 597 HZ2 LYS 81 2HZ LYS 81 -14.455 11.038 8.268 598 HZ3 LYS 81 3HZ LYS 81 -15.970 11.690 7.891 599 H TYR 82 H TYR 82 -15.690 14.465 1.024 600 HA TYR 82 HA TYR 82 -16.309 17.053 2.290 601 HB2 TYR 82 2HB TYR 82 -13.817 16.463 0.699 602 HB3 TYR 82 3HB TYR 82 -14.127 17.831 1.762 603 HD1 TYR 82 HD1 TYR 82 -14.805 16.999 4.270 604 HD2 TYR 82 HD2 TYR 82 -12.343 14.897 1.510 605 HE1 TYR 82 HE1 TYR 82 -13.752 15.794 6.137 606 HE2 TYR 82 HE2 TYR 82 -11.283 13.685 3.370 607 HH TYR 82 HH TYR 82 -10.930 14.219 5.949 608 H GLY 83 H GLY 83 -16.112 15.227 -0.661 609 HA2 GLY 83 2HA GLY 83 -16.701 15.717 -2.829 610 HA3 GLY 83 3HA GLY 83 -17.913 16.753 -2.090 611 H GLN 84 H GLN 84 -14.457 16.713 -2.934 612 HA GLN 84 HA GLN 84 -13.045 18.366 -3.618 613 HB2 GLN 84 2HB GLN 84 -15.605 19.290 -4.928 614 HB3 GLN 84 3HB GLN 84 -14.019 19.957 -5.289 615 HG2 GLN 84 2HG GLN 84 -13.260 17.840 -6.129 616 HG3 GLN 84 3HG GLN 84 -14.764 17.064 -5.635 617 HE21 GLN 84 1HE2 GLN 84 -16.449 17.073 -6.989 618 HE22 GLN 84 2HE2 GLN 84 -16.492 17.895 -8.508 619 H GLU 85 H GLU 85 -14.048 18.738 -1.029 620 HA GLU 85 HA GLU 85 -13.707 21.610 -0.784 621 HB2 GLU 85 2HB GLU 85 -16.236 20.923 -0.918 622 HB3 GLU 85 3HB GLU 85 -15.985 20.411 0.745 623 HG2 GLU 85 2HG GLU 85 -16.570 22.509 1.237 624 HG3 GLU 85 3HG GLU 85 -14.902 22.888 0.809 625 H ILE 86 H ILE 86 -11.683 20.496 -0.020 626 HA ILE 86 HA ILE 86 -11.878 20.102 2.878 627 HB ILE 86 HB ILE 86 -11.765 17.855 1.982 628 HG12 ILE 86 2HG1 ILE 86 -9.016 18.580 3.001 629 HG13 ILE 86 3HG1 ILE 86 -10.438 18.516 4.036 630 HG21 ILE 86 1HG2 ILE 86 -10.062 19.057 0.052 631 HG22 ILE 86 2HG2 ILE 86 -9.168 17.764 0.851 632 HG23 ILE 86 3HG2 ILE 86 -10.715 17.419 0.078 633 HD11 ILE 86 1HD1 ILE 86 -8.712 16.430 3.395 634 HD12 ILE 86 2HD1 ILE 86 -10.253 16.323 4.247 635 HD13 ILE 86 3HD1 ILE 86 -10.195 16.100 2.499 636 H ARG 87 H ARG 87 -10.163 20.881 4.047 637 HA ARG 87 HA ARG 87 -8.089 22.290 2.499 638 HB2 ARG 87 2HB ARG 87 -9.886 23.241 4.486 639 HB3 ARG 87 3HB ARG 87 -8.267 23.287 5.170 640 HG2 ARG 87 2HG ARG 87 -8.562 24.350 2.434 641 HG3 ARG 87 3HG ARG 87 -9.317 25.279 3.731 642 HD2 ARG 87 2HD ARG 87 -6.681 24.434 4.507 643 HD3 ARG 87 3HD ARG 87 -6.620 25.282 2.962 644 HE ARG 87 HE ARG 87 -8.212 26.798 4.651 645 HH11 ARG 87 1HH1 ARG 87 -4.910 25.703 4.507 646 HH12 ARG 87 2HH1 ARG 87 -4.282 27.072 5.363 647 HH21 ARG 87 1HH2 ARG 87 -7.396 28.605 5.778 648 HH22 ARG 87 2HH2 ARG 87 -5.697 28.722 6.086 649 H LEU 88 H LEU 88 -5.955 22.208 3.204 650 HA LEU 88 HA LEU 88 -5.340 19.911 4.904 651 HB2 LEU 88 2HB LEU 88 -3.963 21.368 2.736 652 HB3 LEU 88 3HB LEU 88 -2.936 20.717 4.011 653 HG LEU 88 HG LEU 88 -4.922 18.943 2.651 654 HD11 LEU 88 1HD1 LEU 88 -3.401 20.289 1.014 655 HD12 LEU 88 2HD1 LEU 88 -3.597 18.548 0.815 656 HD13 LEU 88 3HD1 LEU 88 -2.146 19.189 1.586 657 HD21 LEU 88 1HD2 LEU 88 -3.983 17.666 4.252 658 HD22 LEU 88 2HD2 LEU 88 -2.549 18.685 4.378 659 HD23 LEU 88 3HD2 LEU 88 -2.681 17.505 3.073 660 H ILE 89 H ILE 89 -4.987 20.268 6.986 661 HA ILE 89 HA ILE 89 -3.433 22.634 7.769 662 HB ILE 89 HB ILE 89 -4.887 22.741 9.856 663 HG12 ILE 89 2HG1 ILE 89 -7.210 21.726 8.405 664 HG13 ILE 89 3HG1 ILE 89 -6.031 20.469 8.762 665 HG21 ILE 89 1HG2 ILE 89 -5.069 24.529 8.365 666 HG22 ILE 89 2HG2 ILE 89 -5.834 23.537 7.125 667 HG23 ILE 89 3HG2 ILE 89 -6.731 23.981 8.576 668 HD11 ILE 89 1HD1 ILE 89 -7.221 22.337 10.796 669 HD12 ILE 89 2HD1 ILE 89 -7.763 20.687 10.489 670 HD13 ILE 89 3HD1 ILE 89 -6.140 20.980 11.112 671 HA PRO 90 HA PRO 90 -1.073 19.883 10.246 672 HB2 PRO 90 2HB PRO 90 -0.375 21.497 12.314 673 HB3 PRO 90 3HB PRO 90 0.311 21.661 10.693 674 HG2 PRO 90 2HG PRO 90 -1.893 23.222 11.984 675 HG3 PRO 90 3HG PRO 90 -0.545 23.803 10.990 676 HD2 PRO 90 2HD PRO 90 -3.044 23.468 10.002 677 HD3 PRO 90 3HD PRO 90 -1.587 23.228 9.016 678 H ARG 91 H ARG 91 -3.007 18.573 10.744 679 HA ARG 91 HA ARG 91 -3.856 18.913 13.546 680 HB2 ARG 91 2HB ARG 91 -5.432 18.699 11.206 681 HB3 ARG 91 3HB ARG 91 -5.625 17.189 12.088 682 HG2 ARG 91 2HG ARG 91 -5.801 19.292 13.968 683 HG3 ARG 91 3HG ARG 91 -6.820 19.716 12.591 684 HD2 ARG 91 2HD ARG 91 -8.340 18.452 13.679 685 HD3 ARG 91 3HD ARG 91 -7.488 17.128 12.886 686 HE ARG 91 HE ARG 91 -6.824 16.415 14.942 687 HH11 ARG 91 1HH1 ARG 91 -7.623 19.796 15.155 688 HH12 ARG 91 2HH1 ARG 91 -7.385 19.879 16.869 689 HH21 ARG 91 1HH2 ARG 91 -6.507 16.510 17.199 690 HH22 ARG 91 2HH2 ARG 91 -6.749 18.009 18.031 691 H ASP 92 H ASP 92 -4.211 16.969 14.768 692 HA ASP 92 HA ASP 92 -3.631 14.915 15.554 693 HB2 ASP 92 2HB ASP 92 -4.549 14.457 13.017 694 HB3 ASP 92 3HB ASP 92 -2.943 13.738 12.948 695 H ARG 93 H ARG 93 -1.607 17.021 14.927 696 HA ARG 93 HA ARG 93 0.749 15.282 15.116 697 HB2 ARG 93 2HB ARG 93 0.736 16.084 12.832 698 HB3 ARG 93 3HB ARG 93 0.499 17.739 13.377 699 HG2 ARG 93 2HG ARG 93 2.717 17.585 14.525 700 HG3 ARG 93 3HG ARG 93 2.947 16.029 13.725 701 HD2 ARG 93 2HD ARG 93 2.507 17.262 11.545 702 HD3 ARG 93 3HD ARG 93 2.682 18.750 12.474 703 HE ARG 93 HE ARG 93 4.775 17.026 11.588 704 HH11 ARG 93 1HH1 ARG 93 3.832 19.223 14.119 705 HH12 ARG 93 2HH1 ARG 93 5.460 19.633 14.547 706 HH21 ARG 93 1HH2 ARG 93 6.922 17.558 12.143 707 HH22 ARG 93 2HH2 ARG 93 7.217 18.686 13.422 708 H VAL 94 H VAL 94 -0.123 18.743 15.233 709 HA VAL 94 HA VAL 94 1.826 19.458 17.121 710 HB VAL 94 HB VAL 94 -0.830 20.802 16.603 711 HG11 VAL 94 1HG1 VAL 94 -0.262 22.143 18.284 712 HG12 VAL 94 2HG1 VAL 94 1.316 21.370 18.446 713 HG13 VAL 94 3HG1 VAL 94 1.094 22.693 17.301 714 HG21 VAL 94 1HG2 VAL 94 0.210 20.818 14.534 715 HG22 VAL 94 2HG2 VAL 94 0.759 22.338 15.241 716 HG23 VAL 94 3HG2 VAL 94 1.826 20.934 15.232 717 H GLY 95 H GLY 95 -1.682 18.982 17.607 718 HA2 GLY 95 2HA GLY 95 -1.338 18.964 20.481 719 HA3 GLY 95 3HA GLY 95 -2.851 18.775 19.607 Start of MODEL 2 1 H1 MET 1 H MET 1 2.604 1.448 2.075 2 HA MET 1 HA MET 1 4.902 -0.010 2.669 3 HB2 MET 1 2HB MET 1 3.404 -0.439 4.750 4 HB3 MET 1 3HB MET 1 2.503 -1.504 3.680 5 HG2 MET 1 2HG MET 1 4.253 -2.991 3.465 6 HG3 MET 1 3HG MET 1 5.461 -1.793 3.922 7 HE1 MET 1 1HE MET 1 2.483 -3.561 6.963 8 HE2 MET 1 2HE MET 1 2.144 -2.090 6.051 9 HE3 MET 1 3HE MET 1 2.289 -3.635 5.212 10 H SER 2 H SER 2 3.399 0.906 0.420 11 HA SER 2 HA SER 2 3.013 -1.661 -0.960 12 HB2 SER 2 2HB SER 2 1.312 0.196 -2.224 13 HB3 SER 2 3HB SER 2 0.840 -1.209 -1.269 14 HG SER 2 HG SER 2 1.181 1.465 -0.410 15 H GLN 3 H GLN 3 2.980 1.814 -1.769 16 HA GLN 3 HA GLN 3 4.082 3.016 -3.354 17 HB2 GLN 3 2HB GLN 3 6.046 1.106 -2.314 18 HB3 GLN 3 3HB GLN 3 6.423 1.691 -3.929 19 HG2 GLN 3 2HG GLN 3 7.014 3.702 -3.183 20 HG3 GLN 3 3HG GLN 3 5.616 3.815 -2.115 21 HE21 GLN 3 1HE2 GLN 3 5.754 2.514 -0.102 22 HE22 GLN 3 2HE2 GLN 3 7.286 2.418 0.689 23 H ASN 4 H ASN 4 2.586 2.623 -5.003 24 HA ASN 4 HA ASN 4 3.348 0.528 -6.928 25 HB2 ASN 4 2HB ASN 4 0.953 0.722 -5.764 26 HB3 ASN 4 3HB ASN 4 0.682 1.847 -7.092 27 HD21 ASN 4 1HD2 ASN 4 0.720 1.087 -9.213 28 HD22 ASN 4 2HD2 ASN 4 0.559 -0.594 -9.581 29 H GLU 5 H GLU 5 3.202 1.035 -9.188 30 HA GLU 5 HA GLU 5 4.370 3.505 -9.862 31 HB2 GLU 5 2HB GLU 5 3.004 1.474 -11.637 32 HB3 GLU 5 3HB GLU 5 4.004 2.801 -12.210 33 HG2 GLU 5 2HG GLU 5 5.776 1.497 -12.045 34 HG3 GLU 5 3HG GLU 5 5.536 1.424 -10.301 35 H GLU 6 H GLU 6 3.248 4.607 -11.988 36 HA GLU 6 HA GLU 6 1.067 6.084 -10.900 37 HB2 GLU 6 2HB GLU 6 2.915 6.378 -13.038 38 HB3 GLU 6 3HB GLU 6 1.298 6.511 -13.716 39 HG2 GLU 6 2HG GLU 6 1.671 8.024 -11.247 40 HG3 GLU 6 3HG GLU 6 2.710 8.542 -12.573 41 H ALA 7 H ALA 7 -1.081 5.981 -11.322 42 HA ALA 7 HA ALA 7 -2.139 3.544 -12.352 43 HB1 ALA 7 1HB ALA 7 -3.073 5.659 -10.754 44 HB2 ALA 7 2HB ALA 7 -4.147 5.574 -12.151 45 HB3 ALA 7 3HB ALA 7 -3.897 4.149 -11.143 46 HA PRO 8 HA PRO 8 -2.856 4.461 -16.583 47 HB2 PRO 8 2HB PRO 8 -5.300 3.359 -17.013 48 HB3 PRO 8 3HB PRO 8 -3.841 2.393 -16.765 49 HG2 PRO 8 2HG PRO 8 -5.997 3.102 -14.814 50 HG3 PRO 8 3HG PRO 8 -5.181 1.548 -15.063 51 HD2 PRO 8 2HD PRO 8 -4.524 3.231 -13.047 52 HD3 PRO 8 3HD PRO 8 -3.333 2.178 -13.838 53 H ALA 9 H ALA 9 -5.728 5.105 -14.574 54 HA ALA 9 HA ALA 9 -7.282 6.769 -14.615 55 HB1 ALA 9 1HB ALA 9 -4.869 7.961 -14.467 56 HB2 ALA 9 2HB ALA 9 -5.501 8.706 -15.936 57 HB3 ALA 9 3HB ALA 9 -6.402 8.834 -14.425 58 H ARG 10 H ARG 10 -7.307 5.020 -16.840 59 HA ARG 10 HA ARG 10 -8.213 6.837 -18.977 60 HB2 ARG 10 2HB ARG 10 -6.280 4.825 -19.129 61 HB3 ARG 10 3HB ARG 10 -7.713 4.123 -19.868 62 HG2 ARG 10 2HG ARG 10 -7.331 5.251 -21.729 63 HG3 ARG 10 3HG ARG 10 -7.405 6.776 -20.844 64 HD2 ARG 10 2HD ARG 10 -4.986 6.269 -20.159 65 HD3 ARG 10 3HD ARG 10 -5.013 5.067 -21.449 66 HE ARG 10 HE ARG 10 -4.818 7.902 -21.744 67 HH11 ARG 10 1HH1 ARG 10 -5.973 4.985 -23.254 68 HH12 ARG 10 2HH1 ARG 10 -5.880 5.625 -24.861 69 HH21 ARG 10 1HH2 ARG 10 -4.692 8.756 -23.856 70 HH22 ARG 10 2HH2 ARG 10 -5.151 7.770 -25.202 71 H SER 11 H SER 11 -8.752 3.642 -17.508 72 HA SER 11 HA SER 11 -11.461 3.589 -18.594 73 HB2 SER 11 2HB SER 11 -11.519 1.287 -18.020 74 HB3 SER 11 3HB SER 11 -9.890 1.573 -18.631 75 HG SER 11 HG SER 11 -10.745 0.929 -16.080 76 H GLY 12 H GLY 12 -13.312 3.299 -17.276 77 HA2 GLY 12 2HA GLY 12 -14.505 3.300 -15.253 78 HA3 GLY 12 3HA GLY 12 -13.013 3.668 -14.400 79 H GLY 13 H GLY 13 -13.083 5.583 -13.445 80 HA2 GLY 13 2HA GLY 13 -14.336 7.817 -14.912 81 HA3 GLY 13 3HA GLY 13 -14.675 7.550 -13.209 82 H LYS 14 H LYS 14 -13.800 9.963 -13.740 83 HA LYS 14 HA LYS 14 -11.108 9.966 -12.610 84 HB2 LYS 14 2HB LYS 14 -10.885 10.187 -15.092 85 HB3 LYS 14 3HB LYS 14 -11.834 11.665 -15.003 86 HG2 LYS 14 2HG LYS 14 -9.964 12.298 -13.227 87 HG3 LYS 14 3HG LYS 14 -9.033 11.153 -14.195 88 HD2 LYS 14 2HD LYS 14 -8.758 12.670 -15.799 89 HD3 LYS 14 3HD LYS 14 -10.503 12.911 -15.920 90 HE2 LYS 14 2HE LYS 14 -10.461 14.575 -14.208 91 HE3 LYS 14 3HE LYS 14 -8.779 14.216 -13.822 92 HZ1 LYS 14 1HZ LYS 14 -9.857 15.917 -15.860 93 HZ2 LYS 14 2HZ LYS 14 -8.716 14.827 -16.469 94 HZ3 LYS 14 3HZ LYS 14 -8.297 15.872 -15.207 95 H VAL 15 H VAL 15 -10.723 11.635 -11.216 96 HA VAL 15 HA VAL 15 -12.528 13.905 -11.111 97 HB VAL 15 HB VAL 15 -13.756 12.337 -9.750 98 HG11 VAL 15 1HG1 VAL 15 -11.224 12.005 -8.144 99 HG12 VAL 15 2HG1 VAL 15 -12.790 11.277 -7.779 100 HG13 VAL 15 3HG1 VAL 15 -11.915 10.806 -9.236 101 HG21 VAL 15 1HG2 VAL 15 -14.077 13.669 -7.877 102 HG22 VAL 15 2HG2 VAL 15 -12.365 14.072 -7.745 103 HG23 VAL 15 3HG2 VAL 15 -13.342 14.787 -9.027 104 H THR 16 H THR 16 -11.622 15.693 -10.184 105 HA THR 16 HA THR 16 -8.886 15.374 -9.129 106 HB THR 16 HB THR 16 -9.931 17.833 -10.535 107 HG1 THR 16 HG1 THR 16 -9.742 16.640 -12.278 108 HG21 THR 16 1HG2 THR 16 -7.933 18.746 -10.107 109 HG22 THR 16 2HG2 THR 16 -7.077 17.287 -10.608 110 HG23 THR 16 3HG2 THR 16 -7.687 17.430 -8.960 111 H PHE 17 H PHE 17 -8.607 15.971 -7.089 112 HA PHE 17 HA PHE 17 -10.651 17.658 -5.825 113 HB2 PHE 17 2HB PHE 17 -8.747 15.586 -4.781 114 HB3 PHE 17 3HB PHE 17 -9.418 16.795 -3.692 115 HD1 PHE 17 HD1 PHE 17 -11.709 16.728 -3.021 116 HD2 PHE 17 HD2 PHE 17 -10.201 13.942 -5.864 117 HE1 PHE 17 HE1 PHE 17 -13.745 15.370 -2.765 118 HE2 PHE 17 HE2 PHE 17 -12.234 12.580 -5.613 119 HZ PHE 17 HZ PHE 17 -14.010 13.294 -4.062 120 H ARG 18 H ARG 18 -10.185 19.630 -5.060 121 HA ARG 18 HA ARG 18 -7.441 20.596 -5.391 122 HB2 ARG 18 2HB ARG 18 -8.500 22.860 -5.148 123 HB3 ARG 18 3HB ARG 18 -9.048 21.938 -6.541 124 HG2 ARG 18 2HG ARG 18 -11.154 22.029 -5.862 125 HG3 ARG 18 3HG ARG 18 -10.726 21.429 -4.258 126 HD2 ARG 18 2HD ARG 18 -9.893 23.822 -3.817 127 HD3 ARG 18 3HD ARG 18 -10.830 24.259 -5.246 128 HE ARG 18 HE ARG 18 -12.446 22.772 -3.488 129 HH11 ARG 18 1HH1 ARG 18 -10.927 25.892 -3.767 130 HH12 ARG 18 2HH1 ARG 18 -12.113 26.701 -2.797 131 HH21 ARG 18 1HH2 ARG 18 -14.014 23.826 -2.210 132 HH22 ARG 18 2HH2 ARG 18 -13.868 25.525 -1.911 133 H ILE 19 H ILE 19 -6.222 20.420 -3.627 134 HA ILE 19 HA ILE 19 -7.457 20.849 -0.995 135 HB ILE 19 HB ILE 19 -5.333 19.830 -0.108 136 HG12 ILE 19 2HG1 ILE 19 -4.924 19.105 -3.018 137 HG13 ILE 19 3HG1 ILE 19 -3.947 20.254 -2.111 138 HG21 ILE 19 1HG2 ILE 19 -6.659 18.059 0.046 139 HG22 ILE 19 2HG2 ILE 19 -7.581 18.595 -1.358 140 HG23 ILE 19 3HG2 ILE 19 -6.163 17.570 -1.574 141 HD11 ILE 19 1HD1 ILE 19 -4.086 17.711 -0.762 142 HD12 ILE 19 2HD1 ILE 19 -3.487 17.541 -2.413 143 HD13 ILE 19 3HD1 ILE 19 -2.680 18.636 -1.291 144 H ILE 20 H ILE 20 -6.926 22.555 0.224 145 HA ILE 20 HA ILE 20 -4.719 24.271 -0.709 146 HB ILE 20 HB ILE 20 -7.224 25.094 0.766 147 HG12 ILE 20 2HG1 ILE 20 -6.352 25.588 -2.090 148 HG13 ILE 20 3HG1 ILE 20 -7.643 24.505 -1.582 149 HG21 ILE 20 1HG2 ILE 20 -6.166 26.965 1.311 150 HG22 ILE 20 2HG2 ILE 20 -4.689 26.350 0.571 151 HG23 ILE 20 3HG2 ILE 20 -5.835 27.283 -0.392 152 HD11 ILE 20 1HD1 ILE 20 -7.815 27.231 -2.228 153 HD12 ILE 20 2HD1 ILE 20 -9.091 26.170 -1.631 154 HD13 ILE 20 3HD1 ILE 20 -8.114 27.099 -0.495 155 H LEU 21 H LEU 21 -3.037 24.417 0.608 156 HA LEU 21 HA LEU 21 -3.339 23.585 3.399 157 HB2 LEU 21 2HB LEU 21 -1.542 22.742 1.675 158 HB3 LEU 21 3HB LEU 21 -0.703 24.215 2.159 159 HG LEU 21 HG LEU 21 -1.370 23.028 4.565 160 HD11 LEU 21 1HD1 LEU 21 -1.069 20.768 4.489 161 HD12 LEU 21 2HD1 LEU 21 -0.121 20.829 3.004 162 HD13 LEU 21 3HD1 LEU 21 -1.873 21.016 2.939 163 HD21 LEU 21 1HD2 LEU 21 0.905 22.969 4.905 164 HD22 LEU 21 2HD2 LEU 21 0.782 24.134 3.586 165 HD23 LEU 21 3HD2 LEU 21 1.249 22.467 3.249 166 H THR 22 H THR 22 -2.052 24.793 5.037 167 HA THR 22 HA THR 22 -2.471 27.660 4.660 168 HB THR 22 HB THR 22 -1.543 27.063 7.294 169 HG1 THR 22 HG1 THR 22 -3.136 25.552 7.908 170 HG21 THR 22 1HG2 THR 22 -3.168 28.847 6.342 171 HG22 THR 22 2HG2 THR 22 -3.468 28.192 7.951 172 HG23 THR 22 3HG2 THR 22 -4.400 27.608 6.573 173 H SER 23 H SER 23 0.060 25.328 4.974 174 HA SER 23 HA SER 23 2.088 27.297 5.617 175 HB2 SER 23 2HB SER 23 2.035 24.814 6.367 176 HB3 SER 23 3HB SER 23 2.657 24.472 4.753 177 HG SER 23 HG SER 23 4.483 24.809 5.804 178 H GLU 24 H GLU 24 0.597 26.052 2.830 179 HA GLU 24 HA GLU 24 2.864 26.717 1.105 180 HB2 GLU 24 2HB GLU 24 1.345 24.605 0.887 181 HB3 GLU 24 3HB GLU 24 0.222 25.709 0.106 182 HG2 GLU 24 2HG GLU 24 1.293 25.224 -1.777 183 HG3 GLU 24 3HG GLU 24 2.587 26.256 -1.169 184 H ARG 25 H ARG 25 2.053 28.964 2.244 185 HA ARG 25 HA ARG 25 -0.082 30.329 1.009 186 HB2 ARG 25 2HB ARG 25 2.190 31.028 2.751 187 HB3 ARG 25 3HB ARG 25 1.606 32.338 1.734 188 HG2 ARG 25 2HG ARG 25 -0.477 32.368 2.742 189 HG3 ARG 25 3HG ARG 25 -0.312 30.722 3.357 190 HD2 ARG 25 2HD ARG 25 -0.019 32.014 5.260 191 HD3 ARG 25 3HD ARG 25 1.637 31.686 4.750 192 HE ARG 25 HE ARG 25 0.611 34.129 3.670 193 HH11 ARG 25 1HH1 ARG 25 2.068 32.667 6.474 194 HH12 ARG 25 2HH1 ARG 25 2.750 34.151 7.054 195 HH21 ARG 25 1HH2 ARG 25 1.503 36.088 4.423 196 HH22 ARG 25 2HH2 ARG 25 2.427 36.096 5.887 197 H SER 26 H SER 26 3.172 29.687 0.018 198 HA SER 26 HA SER 26 3.596 31.758 -1.805 199 HB2 SER 26 2HB SER 26 5.004 29.532 -1.005 200 HB3 SER 26 3HB SER 26 4.627 29.157 -2.687 201 HG SER 26 HG SER 26 6.273 31.115 -1.627 202 H GLN 27 H GLN 27 1.623 28.905 -2.020 203 HA GLN 27 HA GLN 27 0.174 29.858 -4.236 204 HB2 GLN 27 2HB GLN 27 2.429 29.072 -5.252 205 HB3 GLN 27 3HB GLN 27 1.809 27.450 -4.974 206 HG2 GLN 27 2HG GLN 27 -0.070 27.861 -6.407 207 HG3 GLN 27 3HG GLN 27 0.386 29.555 -6.583 208 HE21 GLN 27 1HE2 GLN 27 0.271 29.002 -8.881 209 HE22 GLN 27 2HE2 GLN 27 1.667 28.325 -9.640 210 HA PRO 28 HA PRO 28 -1.672 26.490 -1.587 211 HB2 PRO 28 2HB PRO 28 -3.827 27.943 -0.800 212 HB3 PRO 28 3HB PRO 28 -2.284 27.968 0.062 213 HG2 PRO 28 2HG PRO 28 -3.379 29.928 -1.918 214 HG3 PRO 28 3HG PRO 28 -2.532 30.235 -0.391 215 HD2 PRO 28 2HD PRO 28 -1.299 30.388 -2.796 216 HD3 PRO 28 3HD PRO 28 -0.456 29.870 -1.322 217 H PHE 29 H PHE 29 -1.985 25.528 -3.725 218 HA PHE 29 HA PHE 29 -4.713 25.229 -4.372 219 HB2 PHE 29 2HB PHE 29 -4.261 27.482 -5.405 220 HB3 PHE 29 3HB PHE 29 -3.124 26.686 -6.489 221 HD1 PHE 29 HD1 PHE 29 -6.514 25.703 -5.294 222 HD2 PHE 29 HD2 PHE 29 -4.027 26.691 -8.604 223 HE1 PHE 29 HE1 PHE 29 -8.360 25.176 -6.834 224 HE2 PHE 29 HE2 PHE 29 -5.869 26.166 -10.149 225 HZ PHE 29 HZ PHE 29 -8.039 25.408 -9.264 226 H ARG 30 H ARG 30 -3.349 23.209 -3.794 227 HA ARG 30 HA ARG 30 -1.962 22.100 -6.111 228 HB2 ARG 30 2HB ARG 30 -2.127 21.418 -3.215 229 HB3 ARG 30 3HB ARG 30 -1.782 20.118 -4.348 230 HG2 ARG 30 2HG ARG 30 -0.200 22.669 -4.106 231 HG3 ARG 30 3HG ARG 30 0.249 21.117 -3.397 232 HD2 ARG 30 2HD ARG 30 0.131 20.178 -5.754 233 HD3 ARG 30 3HD ARG 30 0.052 21.850 -6.307 234 HE ARG 30 HE ARG 30 2.259 21.409 -4.557 235 HH11 ARG 30 1HH1 ARG 30 1.156 20.991 -7.833 236 HH12 ARG 30 2HH1 ARG 30 2.750 21.011 -8.511 237 HH21 ARG 30 1HH2 ARG 30 4.363 21.438 -5.438 238 HH22 ARG 30 2HH2 ARG 30 4.574 21.265 -7.147 239 H VAL 31 H VAL 31 -3.089 21.030 -7.584 240 HA VAL 31 HA VAL 31 -5.630 19.781 -6.824 241 HB VAL 31 HB VAL 31 -6.050 19.620 -9.260 242 HG11 VAL 31 1HG1 VAL 31 -6.677 21.856 -9.531 243 HG12 VAL 31 2HG1 VAL 31 -6.630 21.633 -7.781 244 HG13 VAL 31 3HG1 VAL 31 -5.300 22.450 -8.604 245 HG21 VAL 31 1HG2 VAL 31 -4.148 21.468 -10.240 246 HG22 VAL 31 2HG2 VAL 31 -3.261 20.201 -9.393 247 HG23 VAL 31 3HG2 VAL 31 -4.367 19.780 -10.701 248 H ILE 32 H ILE 32 -5.874 17.640 -6.738 249 HA ILE 32 HA ILE 32 -3.668 15.962 -7.734 250 HB ILE 32 HB ILE 32 -4.590 14.243 -6.108 251 HG12 ILE 32 2HG1 ILE 32 -5.952 16.675 -4.934 252 HG13 ILE 32 3HG1 ILE 32 -6.787 15.390 -5.800 253 HG21 ILE 32 1HG2 ILE 32 -2.692 14.949 -5.168 254 HG22 ILE 32 2HG2 ILE 32 -3.011 16.632 -5.586 255 HG23 ILE 32 3HG2 ILE 32 -3.718 15.936 -4.127 256 HD11 ILE 32 1HD1 ILE 32 -6.594 13.920 -4.080 257 HD12 ILE 32 2HD1 ILE 32 -5.094 14.635 -3.487 258 HD13 ILE 32 3HD1 ILE 32 -6.636 15.432 -3.173 259 H SER 33 H SER 33 -4.070 14.518 -9.283 260 HA SER 33 HA SER 33 -6.837 14.192 -10.181 261 HB2 SER 33 2HB SER 33 -4.577 13.036 -11.733 262 HB3 SER 33 3HB SER 33 -6.029 13.861 -12.301 263 HG SER 33 HG SER 33 -4.509 15.347 -12.634 264 H ILE 34 H ILE 34 -7.930 12.428 -9.665 265 HA ILE 34 HA ILE 34 -6.592 9.849 -9.552 266 HB ILE 34 HB ILE 34 -6.417 10.667 -7.245 267 HG12 ILE 34 2HG1 ILE 34 -8.469 8.464 -7.563 268 HG13 ILE 34 3HG1 ILE 34 -6.725 8.257 -7.683 269 HG21 ILE 34 1HG2 ILE 34 -9.127 10.494 -6.408 270 HG22 ILE 34 2HG2 ILE 34 -8.031 11.872 -6.319 271 HG23 ILE 34 3HG2 ILE 34 -9.032 11.633 -7.751 272 HD11 ILE 34 1HD1 ILE 34 -6.466 8.878 -5.360 273 HD12 ILE 34 2HD1 ILE 34 -8.200 9.175 -5.227 274 HD13 ILE 34 3HD1 ILE 34 -7.605 7.541 -5.519 275 H ALA 35 H ALA 35 -7.966 8.096 -9.868 276 HA ALA 35 HA ALA 35 -10.394 8.679 -11.258 277 HB1 ALA 35 1HB ALA 35 -9.975 6.708 -12.182 278 HB2 ALA 35 2HB ALA 35 -8.600 6.510 -11.095 279 HB3 ALA 35 3HB ALA 35 -10.188 5.903 -10.627 280 H GLU 36 H GLU 36 -12.508 7.982 -10.720 281 HA GLU 36 HA GLU 36 -13.296 8.494 -8.084 282 HB2 GLU 36 2HB GLU 36 -14.669 8.567 -10.277 283 HB3 GLU 36 3HB GLU 36 -14.956 6.858 -9.981 284 HG2 GLU 36 2HG GLU 36 -16.470 7.273 -8.406 285 HG3 GLU 36 3HG GLU 36 -15.466 8.503 -7.641 286 H GLU 37 H GLU 37 -12.234 5.587 -9.615 287 HA GLU 37 HA GLU 37 -12.971 4.050 -7.211 288 HB2 GLU 37 2HB GLU 37 -13.342 3.479 -9.996 289 HB3 GLU 37 3HB GLU 37 -12.254 2.283 -9.305 290 HG2 GLU 37 2HG GLU 37 -15.012 2.973 -8.320 291 HG3 GLU 37 3HG GLU 37 -14.538 1.513 -9.186 292 H ALA 38 H ALA 38 -10.482 5.670 -8.329 293 HA ALA 38 HA ALA 38 -8.406 3.662 -8.152 294 HB1 ALA 38 1HB ALA 38 -7.852 5.301 -9.689 295 HB2 ALA 38 2HB ALA 38 -8.445 6.608 -8.665 296 HB3 ALA 38 3HB ALA 38 -6.935 5.791 -8.264 297 HA PRO 39 HA PRO 39 -7.491 3.974 -3.871 298 HB2 PRO 39 2HB PRO 39 -4.788 3.715 -3.872 299 HB3 PRO 39 3HB PRO 39 -5.882 2.369 -4.213 300 HG2 PRO 39 2HG PRO 39 -4.366 4.109 -6.120 301 HG3 PRO 39 3HG PRO 39 -4.599 2.352 -6.153 302 HD2 PRO 39 2HD PRO 39 -6.039 4.041 -7.703 303 HD3 PRO 39 3HD PRO 39 -6.706 2.522 -7.072 304 H LEU 40 H LEU 40 -7.074 5.499 -2.352 305 HA LEU 40 HA LEU 40 -6.775 8.163 -2.997 306 HB2 LEU 40 2HB LEU 40 -7.603 7.372 -0.844 307 HB3 LEU 40 3HB LEU 40 -5.993 6.786 -0.432 308 HG LEU 40 HG LEU 40 -6.824 9.008 0.586 309 HD11 LEU 40 1HD1 LEU 40 -4.687 9.247 1.137 310 HD12 LEU 40 2HD1 LEU 40 -4.245 9.678 -0.514 311 HD13 LEU 40 3HD1 LEU 40 -4.310 7.983 -0.033 312 HD21 LEU 40 1HD2 LEU 40 -7.355 9.733 -1.918 313 HD22 LEU 40 2HD2 LEU 40 -5.689 10.304 -1.827 314 HD23 LEU 40 3HD2 LEU 40 -6.889 10.896 -0.676 315 H THR 41 H THR 41 -4.317 5.744 -2.433 316 HA THR 41 HA THR 41 -2.076 7.272 -1.958 317 HB THR 41 HB THR 41 -1.549 5.146 -3.895 318 HG1 THR 41 HG1 THR 41 -2.330 3.479 -2.521 319 HG21 THR 41 1HG2 THR 41 -0.708 5.899 -1.123 320 HG22 THR 41 2HG2 THR 41 0.268 5.736 -2.583 321 HG23 THR 41 3HG2 THR 41 -0.327 4.298 -1.754 322 H ALA 42 H ALA 42 -3.846 6.859 -4.935 323 HA ALA 42 HA ALA 42 -1.932 7.739 -6.773 324 HB1 ALA 42 1HB ALA 42 -3.635 7.839 -8.309 325 HB2 ALA 42 2HB ALA 42 -4.339 6.763 -7.102 326 HB3 ALA 42 3HB ALA 42 -4.799 8.464 -7.142 327 H ALA 43 H ALA 43 -4.100 9.528 -4.659 328 HA ALA 43 HA ALA 43 -3.512 12.084 -5.822 329 HB1 ALA 43 1HB ALA 43 -4.536 12.716 -3.411 330 HB2 ALA 43 2HB ALA 43 -5.518 12.290 -4.814 331 HB3 ALA 43 3HB ALA 43 -5.150 11.073 -3.592 332 H LEU 44 H LEU 44 -2.163 10.112 -3.292 333 HA LEU 44 HA LEU 44 -0.821 11.948 -1.737 334 HB2 LEU 44 2HB LEU 44 -0.854 9.206 -1.988 335 HB3 LEU 44 3HB LEU 44 0.814 9.623 -2.379 336 HG LEU 44 HG LEU 44 0.901 10.869 -0.193 337 HD11 LEU 44 1HD1 LEU 44 -1.230 9.331 1.011 338 HD12 LEU 44 2HD1 LEU 44 -1.840 10.442 -0.215 339 HD13 LEU 44 3HD1 LEU 44 -0.876 11.055 1.128 340 HD21 LEU 44 1HD2 LEU 44 0.262 7.991 0.301 341 HD22 LEU 44 2HD2 LEU 44 1.556 8.984 0.972 342 HD23 LEU 44 3HD2 LEU 44 1.644 8.433 -0.702 343 H ARG 45 H ARG 45 -0.111 10.890 -4.979 344 HA ARG 45 HA ARG 45 2.544 11.582 -5.262 345 HB2 ARG 45 2HB ARG 45 0.227 11.340 -7.060 346 HB3 ARG 45 3HB ARG 45 1.508 12.388 -7.656 347 HG2 ARG 45 2HG ARG 45 3.106 10.491 -7.192 348 HG3 ARG 45 3HG ARG 45 1.684 9.479 -6.934 349 HD2 ARG 45 2HD ARG 45 1.541 9.155 -9.124 350 HD3 ARG 45 3HD ARG 45 1.275 10.883 -9.347 351 HE ARG 45 HE ARG 45 3.435 11.090 -10.083 352 HH11 ARG 45 1HH1 ARG 45 3.040 8.001 -8.526 353 HH12 ARG 45 2HH1 ARG 45 4.594 7.410 -9.014 354 HH21 ARG 45 1HH2 ARG 45 5.483 10.323 -10.732 355 HH22 ARG 45 2HH2 ARG 45 5.983 8.732 -10.268 356 H PHE 46 H PHE 46 -0.264 13.692 -5.885 357 HA PHE 46 HA PHE 46 1.462 16.020 -6.002 358 HB2 PHE 46 2HB PHE 46 -1.313 15.383 -6.742 359 HB3 PHE 46 3HB PHE 46 -1.090 17.002 -6.088 360 HD1 PHE 46 HD1 PHE 46 -0.474 18.703 -7.510 361 HD2 PHE 46 HD2 PHE 46 0.390 14.679 -8.597 362 HE1 PHE 46 HE1 PHE 46 0.343 19.474 -9.699 363 HE2 PHE 46 HE2 PHE 46 1.210 15.444 -10.787 364 HZ PHE 46 HZ PHE 46 1.188 17.843 -11.341 365 H ALA 47 H ALA 47 -0.779 14.507 -3.796 366 HA ALA 47 HA ALA 47 -1.231 16.664 -2.056 367 HB1 ALA 47 1HB ALA 47 -1.610 13.763 -1.996 368 HB2 ALA 47 2HB ALA 47 -1.349 14.492 -0.411 369 HB3 ALA 47 3HB ALA 47 -2.666 15.060 -1.436 370 H ALA 48 H ALA 48 1.434 14.417 -2.350 371 HA ALA 48 HA ALA 48 2.648 14.897 0.151 372 HB1 ALA 48 1HB ALA 48 4.588 13.831 -0.748 373 HB2 ALA 48 2HB ALA 48 3.168 12.992 -1.375 374 HB3 ALA 48 3HB ALA 48 4.048 14.124 -2.402 375 H GLU 49 H GLU 49 2.608 16.682 -2.827 376 HA GLU 49 HA GLU 49 4.887 18.319 -2.168 377 HB2 GLU 49 2HB GLU 49 2.798 18.932 -4.251 378 HB3 GLU 49 3HB GLU 49 4.474 19.460 -4.207 379 HG2 GLU 49 2HG GLU 49 5.006 16.925 -4.353 380 HG3 GLU 49 3HG GLU 49 3.351 16.798 -4.946 381 H GLU 50 H GLU 50 1.384 18.570 -1.966 382 HA GLU 50 HA GLU 50 1.201 21.303 -1.358 383 HB2 GLU 50 2HB GLU 50 -0.731 19.900 -1.980 384 HB3 GLU 50 3HB GLU 50 -0.603 19.055 -0.444 385 HG2 GLU 50 2HG GLU 50 -2.372 20.812 -0.548 386 HG3 GLU 50 3HG GLU 50 -1.221 20.986 0.775 387 H PHE 51 H PHE 51 1.573 18.469 0.736 388 HA PHE 51 HA PHE 51 1.767 20.181 3.088 389 HB2 PHE 51 2HB PHE 51 0.917 17.510 2.618 390 HB3 PHE 51 3HB PHE 51 2.311 17.439 3.691 391 HD1 PHE 51 HD1 PHE 51 -0.977 17.175 3.875 392 HD2 PHE 51 HD2 PHE 51 2.055 19.772 5.352 393 HE1 PHE 51 HE1 PHE 51 -2.419 17.771 5.777 394 HE2 PHE 51 HE2 PHE 51 0.618 20.371 7.257 395 HZ PHE 51 HZ PHE 51 -1.621 19.369 7.472 396 H GLY 52 H GLY 52 3.786 18.529 0.852 397 HA2 GLY 52 2HA GLY 52 6.090 18.758 0.617 398 HA3 GLY 52 3HA GLY 52 6.144 19.557 2.181 399 H ILE 53 H ILE 53 4.389 16.876 2.731 400 HA ILE 53 HA ILE 53 6.738 15.168 3.205 401 HB ILE 53 HB ILE 53 5.920 14.530 5.382 402 HG12 ILE 53 2HG1 ILE 53 3.659 16.477 4.878 403 HG13 ILE 53 3HG1 ILE 53 3.514 14.724 4.935 404 HG21 ILE 53 1HG2 ILE 53 7.277 16.678 4.998 405 HG22 ILE 53 2HG2 ILE 53 5.777 17.523 5.379 406 HG23 ILE 53 3HG2 ILE 53 6.510 16.448 6.569 407 HD11 ILE 53 1HD1 ILE 53 4.125 16.609 7.186 408 HD12 ILE 53 2HD1 ILE 53 2.752 15.515 7.009 409 HD13 ILE 53 3HD1 ILE 53 4.364 14.866 7.307 410 H ALA 54 H ALA 54 5.637 12.971 4.248 411 HA ALA 54 HA ALA 54 3.304 12.192 2.697 412 HB1 ALA 54 1HB ALA 54 4.855 11.652 1.047 413 HB2 ALA 54 2HB ALA 54 6.047 11.085 2.217 414 HB3 ALA 54 3HB ALA 54 4.604 10.125 1.892 415 H SER 55 H SER 55 2.420 12.012 4.828 416 HA SER 55 HA SER 55 2.414 9.417 5.864 417 HB2 SER 55 2HB SER 55 4.517 9.641 6.850 418 HB3 SER 55 3HB SER 55 4.268 11.345 7.228 419 HG SER 55 HG SER 55 3.022 9.122 8.480 420 H VAL 56 H VAL 56 2.451 12.485 7.660 421 HA VAL 56 HA VAL 56 0.014 11.969 8.983 422 HB VAL 56 HB VAL 56 1.364 14.638 8.550 423 HG11 VAL 56 1HG1 VAL 56 0.177 15.128 10.760 424 HG12 VAL 56 2HG1 VAL 56 -0.810 15.096 9.298 425 HG13 VAL 56 3HG1 VAL 56 -0.816 13.717 10.398 426 HG21 VAL 56 1HG2 VAL 56 1.791 13.714 11.160 427 HG22 VAL 56 2HG2 VAL 56 2.131 12.344 10.103 428 HG23 VAL 56 3HG2 VAL 56 2.982 13.870 9.868 429 H ASP 57 H ASP 57 0.722 13.242 5.872 430 HA ASP 57 HA ASP 57 -1.566 14.829 5.446 431 HB2 ASP 57 2HB ASP 57 0.164 15.110 3.882 432 HB3 ASP 57 3HB ASP 57 0.320 13.377 3.607 433 H SER 58 H SER 58 -1.182 11.455 5.726 434 HA SER 58 HA SER 58 -3.206 10.500 4.043 435 HB2 SER 58 2HB SER 58 -3.205 8.499 5.469 436 HB3 SER 58 3HB SER 58 -1.558 9.031 5.129 437 HG SER 58 HG SER 58 -1.407 9.855 7.177 438 H MET 59 H MET 59 -3.330 11.979 7.204 439 HA MET 59 HA MET 59 -6.193 12.294 6.964 440 HB2 MET 59 2HB MET 59 -6.592 11.367 9.271 441 HB3 MET 59 3HB MET 59 -6.213 10.168 8.041 442 HG2 MET 59 2HG MET 59 -3.783 11.011 9.245 443 HG3 MET 59 3HG MET 59 -4.936 10.623 10.520 444 HE1 MET 59 1HE MET 59 -5.752 7.562 10.792 445 HE2 MET 59 2HE MET 59 -4.038 7.334 11.141 446 HE3 MET 59 3HE MET 59 -4.829 8.856 11.556 447 H ALA 60 H ALA 60 -5.198 14.469 6.770 448 HA ALA 60 HA ALA 60 -5.179 15.755 9.382 449 HB1 ALA 60 1HB ALA 60 -2.943 16.309 7.445 450 HB2 ALA 60 2HB ALA 60 -3.117 16.891 9.101 451 HB3 ALA 60 3HB ALA 60 -2.799 15.183 8.796 452 H ALA 61 H ALA 61 -7.284 16.302 8.312 453 HA ALA 61 HA ALA 61 -7.077 18.929 7.141 454 HB1 ALA 61 1HB ALA 61 -8.615 18.278 5.220 455 HB2 ALA 61 2HB ALA 61 -6.924 17.794 5.089 456 HB3 ALA 61 3HB ALA 61 -8.146 16.612 5.556 457 H THR 62 H THR 62 -8.997 20.124 7.287 458 HA THR 62 HA THR 62 -11.182 18.811 8.767 459 HB THR 62 HB THR 62 -11.488 21.264 9.703 460 HG1 THR 62 HG1 THR 62 -9.858 22.463 9.062 461 HG21 THR 62 1HG2 THR 62 -10.594 20.530 11.706 462 HG22 THR 62 2HG2 THR 62 -9.233 19.726 10.925 463 HG23 THR 62 3HG2 THR 62 -10.842 19.007 10.854 464 H THR 63 H THR 63 -13.289 19.596 8.396 465 HA THR 63 HA THR 63 -13.604 20.866 5.778 466 HB THR 63 HB THR 63 -16.043 19.955 7.131 467 HG1 THR 63 HG1 THR 63 -14.283 17.929 6.233 468 HG21 THR 63 1HG2 THR 63 -15.536 20.598 4.642 469 HG22 THR 63 2HG2 THR 63 -16.656 19.285 5.008 470 HG23 THR 63 3HG2 THR 63 -14.998 18.923 4.529 471 H LYS 64 H LYS 64 -15.578 22.314 5.566 472 HA LYS 64 HA LYS 64 -15.245 24.606 7.120 473 HB2 LYS 64 2HB LYS 64 -17.750 23.865 5.605 474 HB3 LYS 64 3HB LYS 64 -17.188 25.483 6.004 475 HG2 LYS 64 2HG LYS 64 -15.892 23.552 4.093 476 HG3 LYS 64 3HG LYS 64 -16.773 25.024 3.679 477 HD2 LYS 64 2HD LYS 64 -14.832 26.111 3.763 478 HD3 LYS 64 3HD LYS 64 -14.822 25.830 5.505 479 HE2 LYS 64 2HE LYS 64 -13.640 23.717 5.156 480 HE3 LYS 64 3HE LYS 64 -13.659 23.991 3.414 481 HZ1 LYS 64 1HZ LYS 64 -11.541 24.628 4.316 482 HZ2 LYS 64 2HZ LYS 64 -12.271 25.656 5.443 483 HZ3 LYS 64 3HZ LYS 64 -12.352 26.019 3.793 484 H ASP 65 H ASP 65 -17.182 21.786 7.646 485 HA ASP 65 HA ASP 65 -18.818 23.042 9.684 486 HB2 ASP 65 2HB ASP 65 -19.207 20.888 8.017 487 HB3 ASP 65 3HB ASP 65 -18.847 20.113 9.558 488 H GLY 66 H GLY 66 -15.856 21.298 9.464 489 HA2 GLY 66 2HA GLY 66 -14.645 21.800 11.728 490 HA3 GLY 66 3HA GLY 66 -15.867 20.691 12.333 491 H THR 67 H THR 67 -15.474 18.562 12.252 492 HA THR 67 HA THR 67 -12.930 17.564 11.738 493 HB THR 67 HB THR 67 -14.103 15.289 11.656 494 HG1 THR 67 HG1 THR 67 -16.287 15.293 12.170 495 HG21 THR 67 1HG2 THR 67 -13.909 17.214 13.858 496 HG22 THR 67 2HG2 THR 67 -13.382 15.533 13.772 497 HG23 THR 67 3HG2 THR 67 -15.064 15.912 14.141 498 H GLY 68 H GLY 68 -11.876 17.016 9.939 499 HA2 GLY 68 2HA GLY 68 -13.463 16.546 7.491 500 HA3 GLY 68 3HA GLY 68 -12.004 17.526 7.478 501 H ILE 69 H ILE 69 -11.983 14.796 9.552 502 HA ILE 69 HA ILE 69 -9.977 13.533 7.864 503 HB ILE 69 HB ILE 69 -10.897 12.835 10.655 504 HG12 ILE 69 2HG1 ILE 69 -8.189 13.688 10.547 505 HG13 ILE 69 3HG1 ILE 69 -9.146 14.869 9.658 506 HG21 ILE 69 1HG2 ILE 69 -8.822 11.654 8.849 507 HG22 ILE 69 2HG2 ILE 69 -8.647 11.572 10.602 508 HG23 ILE 69 3HG2 ILE 69 -10.048 10.841 9.821 509 HD11 ILE 69 1HD1 ILE 69 -10.483 15.339 11.544 510 HD12 ILE 69 2HD1 ILE 69 -9.853 13.946 12.425 511 HD13 ILE 69 3HD1 ILE 69 -8.810 15.330 12.102 512 H ASN 70 H ASN 70 -10.391 11.872 6.573 513 HA ASN 70 HA ASN 70 -12.924 10.421 6.927 514 HB2 ASN 70 2HB ASN 70 -11.288 11.151 4.536 515 HB3 ASN 70 3HB ASN 70 -12.258 9.682 4.472 516 HD21 ASN 70 1HD2 ASN 70 -13.136 11.133 2.679 517 HD22 ASN 70 2HD2 ASN 70 -14.493 12.115 3.103 518 HA PRO 71 HA PRO 71 -10.920 6.617 7.799 519 HB2 PRO 71 2HB PRO 71 -12.432 4.831 6.422 520 HB3 PRO 71 3HB PRO 71 -13.002 5.648 7.882 521 HG2 PRO 71 2HG PRO 71 -13.559 6.291 5.012 522 HG3 PRO 71 3HG PRO 71 -14.674 6.270 6.391 523 HD2 PRO 71 2HD PRO 71 -13.619 8.561 5.405 524 HD3 PRO 71 3HD PRO 71 -14.005 8.350 7.125 525 H ALA 72 H ALA 72 -11.804 6.803 4.346 526 HA ALA 72 HA ALA 72 -9.205 5.569 3.705 527 HB1 ALA 72 1HB ALA 72 -11.389 5.598 1.696 528 HB2 ALA 72 2HB ALA 72 -10.142 4.387 1.998 529 HB3 ALA 72 3HB ALA 72 -11.542 4.497 3.066 530 H GLN 73 H GLN 73 -11.312 8.271 3.185 531 HA GLN 73 HA GLN 73 -11.062 10.248 2.090 532 HB2 GLN 73 2HB GLN 73 -8.112 9.654 1.971 533 HB3 GLN 73 3HB GLN 73 -8.902 11.223 2.045 534 HG2 GLN 73 2HG GLN 73 -9.742 9.898 4.340 535 HG3 GLN 73 3HG GLN 73 -8.033 9.494 4.179 536 HE21 GLN 73 1HE2 GLN 73 -7.055 11.789 3.034 537 HE22 GLN 73 2HE2 GLN 73 -7.205 13.100 4.149 538 H THR 74 H THR 74 -11.577 7.903 0.529 539 HA THR 74 HA THR 74 -9.974 7.962 -1.842 540 HB THR 74 HB THR 74 -12.751 6.840 -1.816 541 HG1 THR 74 HG1 THR 74 -12.194 5.250 -0.484 542 HG21 THR 74 1HG2 THR 74 -10.259 6.494 -3.328 543 HG22 THR 74 2HG2 THR 74 -11.930 6.223 -3.820 544 HG23 THR 74 3HG2 THR 74 -11.070 4.988 -2.901 545 H ALA 75 H ALA 75 -10.891 8.420 -4.004 546 HA ALA 75 HA ALA 75 -11.834 11.056 -4.183 547 HB1 ALA 75 1HB ALA 75 -11.158 10.805 -6.280 548 HB2 ALA 75 2HB ALA 75 -10.873 9.094 -5.959 549 HB3 ALA 75 3HB ALA 75 -12.434 9.626 -6.584 550 H GLY 76 H GLY 76 -13.519 7.957 -4.649 551 HA2 GLY 76 2HA GLY 76 -16.029 9.102 -5.296 552 HA3 GLY 76 3HA GLY 76 -15.757 7.451 -4.758 553 H ASN 77 H ASN 77 -14.584 8.086 -2.239 554 HA ASN 77 HA ASN 77 -16.965 8.439 -0.710 555 HB2 ASN 77 2HB ASN 77 -14.266 7.551 -0.246 556 HB3 ASN 77 3HB ASN 77 -14.735 8.705 0.999 557 HD21 ASN 77 1HD2 ASN 77 -16.153 5.966 -0.761 558 HD22 ASN 77 2HD2 ASN 77 -16.869 5.228 0.627 559 H VAL 78 H VAL 78 -13.919 10.302 -0.731 560 HA VAL 78 HA VAL 78 -14.738 12.440 0.805 561 HB VAL 78 HB VAL 78 -12.864 12.539 -1.563 562 HG11 VAL 78 1HG1 VAL 78 -11.910 14.508 -0.484 563 HG12 VAL 78 2HG1 VAL 78 -13.614 14.761 -0.865 564 HG13 VAL 78 3HG1 VAL 78 -13.123 14.407 0.792 565 HG21 VAL 78 1HG2 VAL 78 -12.622 11.091 0.789 566 HG22 VAL 78 2HG2 VAL 78 -11.320 11.517 -0.322 567 HG23 VAL 78 3HG2 VAL 78 -11.661 12.542 1.072 568 H PHE 79 H PHE 79 -15.174 11.927 -2.664 569 HA PHE 79 HA PHE 79 -16.129 14.424 -3.397 570 HB2 PHE 79 2HB PHE 79 -15.650 12.791 -5.088 571 HB3 PHE 79 3HB PHE 79 -16.847 11.679 -4.432 572 HD1 PHE 79 HD1 PHE 79 -16.585 15.111 -5.858 573 HD2 PHE 79 HD2 PHE 79 -18.934 11.592 -5.398 574 HE1 PHE 79 HE1 PHE 79 -18.279 16.047 -7.378 575 HE2 PHE 79 HE2 PHE 79 -20.631 12.521 -6.917 576 HZ PHE 79 HZ PHE 79 -20.304 14.751 -7.910 577 H MET 80 H MET 80 -17.750 11.798 -1.744 578 HA MET 80 HA MET 80 -20.301 13.222 -1.835 579 HB2 MET 80 2HB MET 80 -19.458 10.436 -1.230 580 HB3 MET 80 3HB MET 80 -20.892 11.037 -0.408 581 HG2 MET 80 2HG MET 80 -21.285 11.789 -3.032 582 HG3 MET 80 3HG MET 80 -20.535 10.200 -3.157 583 HE1 MET 80 1HE MET 80 -24.319 10.916 -3.624 584 HE2 MET 80 2HE MET 80 -22.812 10.526 -4.453 585 HE3 MET 80 3HE MET 80 -23.910 9.234 -3.964 586 H LYS 81 H LYS 81 -17.631 12.647 0.247 587 HA LYS 81 HA LYS 81 -19.015 13.153 2.712 588 HB2 LYS 81 2HB LYS 81 -16.901 11.804 2.504 589 HB3 LYS 81 3HB LYS 81 -16.044 13.306 2.185 590 HG2 LYS 81 2HG LYS 81 -15.676 13.174 4.411 591 HG3 LYS 81 3HG LYS 81 -17.232 14.005 4.459 592 HD2 LYS 81 2HD LYS 81 -17.317 12.210 6.032 593 HD3 LYS 81 3HD LYS 81 -18.328 11.764 4.656 594 HE2 LYS 81 2HE LYS 81 -15.935 10.742 3.895 595 HE3 LYS 81 3HE LYS 81 -15.832 10.563 5.646 596 HZ1 LYS 81 1HZ LYS 81 -18.291 9.707 4.301 597 HZ2 LYS 81 2HZ LYS 81 -17.551 9.088 5.690 598 HZ3 LYS 81 3HZ LYS 81 -16.921 8.723 4.162 599 H TYR 82 H TYR 82 -16.569 14.995 0.877 600 HA TYR 82 HA TYR 82 -17.716 17.455 2.026 601 HB2 TYR 82 2HB TYR 82 -14.853 17.179 1.127 602 HB3 TYR 82 3HB TYR 82 -15.564 18.438 2.131 603 HD1 TYR 82 HD1 TYR 82 -13.275 16.031 2.359 604 HD2 TYR 82 HD2 TYR 82 -16.975 17.040 4.200 605 HE1 TYR 82 HE1 TYR 82 -12.602 14.792 4.375 606 HE2 TYR 82 HE2 TYR 82 -16.313 15.806 6.222 607 HH TYR 82 HH TYR 82 -14.660 13.811 6.700 608 H GLY 83 H GLY 83 -16.588 15.793 -0.810 609 HA2 GLY 83 2HA GLY 83 -16.646 16.327 -3.045 610 HA3 GLY 83 3HA GLY 83 -18.090 17.236 -2.624 611 H GLN 84 H GLN 84 -14.558 17.449 -2.764 612 HA GLN 84 HA GLN 84 -13.147 19.215 -3.061 613 HB2 GLN 84 2HB GLN 84 -15.506 20.164 -4.694 614 HB3 GLN 84 3HB GLN 84 -13.911 20.904 -4.736 615 HG2 GLN 84 2HG GLN 84 -13.010 19.230 -5.957 616 HG3 GLN 84 3HG GLN 84 -14.031 17.995 -5.222 617 HE21 GLN 84 1HE2 GLN 84 -14.614 20.965 -7.081 618 HE22 GLN 84 2HE2 GLN 84 -15.657 20.233 -8.247 619 H GLU 85 H GLU 85 -14.346 19.340 -0.626 620 HA GLU 85 HA GLU 85 -14.408 22.210 -0.167 621 HB2 GLU 85 2HB GLU 85 -16.793 21.396 -0.527 622 HB3 GLU 85 3HB GLU 85 -16.607 20.487 0.966 623 HG2 GLU 85 2HG GLU 85 -15.916 22.784 1.965 624 HG3 GLU 85 3HG GLU 85 -16.744 23.436 0.552 625 H ILE 86 H ILE 86 -12.292 20.919 0.530 626 HA ILE 86 HA ILE 86 -12.487 20.690 3.437 627 HB ILE 86 HB ILE 86 -12.608 18.382 2.636 628 HG12 ILE 86 2HG1 ILE 86 -9.924 19.071 3.852 629 HG13 ILE 86 3HG1 ILE 86 -11.429 18.855 4.738 630 HG21 ILE 86 1HG2 ILE 86 -9.881 18.762 1.428 631 HG22 ILE 86 2HG2 ILE 86 -10.952 17.368 1.290 632 HG23 ILE 86 3HG2 ILE 86 -11.369 18.884 0.490 633 HD11 ILE 86 1HD1 ILE 86 -10.452 16.821 5.052 634 HD12 ILE 86 2HD1 ILE 86 -11.387 16.498 3.592 635 HD13 ILE 86 3HD1 ILE 86 -9.660 16.833 3.477 636 H ARG 87 H ARG 87 -10.643 21.300 4.542 637 HA ARG 87 HA ARG 87 -8.536 22.510 2.879 638 HB2 ARG 87 2HB ARG 87 -10.089 23.547 5.039 639 HB3 ARG 87 3HB ARG 87 -8.409 23.472 5.552 640 HG2 ARG 87 2HG ARG 87 -8.997 25.635 4.557 641 HG3 ARG 87 3HG ARG 87 -7.730 24.802 3.655 642 HD2 ARG 87 2HD ARG 87 -9.008 24.593 1.819 643 HD3 ARG 87 3HD ARG 87 -10.451 24.202 2.752 644 HE ARG 87 HE ARG 87 -9.729 26.957 2.971 645 HH11 ARG 87 1HH1 ARG 87 -11.332 24.618 0.951 646 HH12 ARG 87 2HH1 ARG 87 -12.361 25.786 0.190 647 HH21 ARG 87 1HH2 ARG 87 -11.078 28.504 1.976 648 HH22 ARG 87 2HH2 ARG 87 -12.215 27.996 0.774 649 H LEU 88 H LEU 88 -6.373 22.227 3.434 650 HA LEU 88 HA LEU 88 -5.831 19.796 4.934 651 HB2 LEU 88 2HB LEU 88 -4.353 21.472 2.977 652 HB3 LEU 88 3HB LEU 88 -3.411 20.508 4.112 653 HG LEU 88 HG LEU 88 -5.448 19.435 2.160 654 HD11 LEU 88 1HD1 LEU 88 -3.531 18.507 0.986 655 HD12 LEU 88 2HD1 LEU 88 -2.437 19.272 2.139 656 HD13 LEU 88 3HD1 LEU 88 -3.423 20.266 1.066 657 HD21 LEU 88 1HD2 LEU 88 -3.740 17.422 3.112 658 HD22 LEU 88 2HD2 LEU 88 -5.465 17.613 3.427 659 HD23 LEU 88 3HD2 LEU 88 -4.283 18.319 4.530 660 H ILE 89 H ILE 89 -5.373 19.868 7.023 661 HA ILE 89 HA ILE 89 -3.927 22.213 8.068 662 HB ILE 89 HB ILE 89 -6.265 22.235 8.828 663 HG12 ILE 89 2HG1 ILE 89 -4.248 21.569 10.983 664 HG13 ILE 89 3HG1 ILE 89 -4.544 23.160 10.289 665 HG21 ILE 89 1HG2 ILE 89 -6.091 19.530 8.878 666 HG22 ILE 89 2HG2 ILE 89 -5.950 19.911 10.594 667 HG23 ILE 89 3HG2 ILE 89 -7.354 20.463 9.680 668 HD11 ILE 89 1HD1 ILE 89 -5.927 23.487 11.990 669 HD12 ILE 89 2HD1 ILE 89 -7.028 22.367 11.186 670 HD13 ILE 89 3HD1 ILE 89 -5.920 21.778 12.425 671 HA PRO 90 HA PRO 90 -0.936 19.212 9.346 672 HB2 PRO 90 2HB PRO 90 0.525 20.847 10.946 673 HB3 PRO 90 3HB PRO 90 0.600 20.913 9.181 674 HG2 PRO 90 2HG PRO 90 -0.929 22.652 11.078 675 HG3 PRO 90 3HG PRO 90 0.006 23.113 9.644 676 HD2 PRO 90 2HD PRO 90 -2.693 22.904 9.618 677 HD3 PRO 90 3HD PRO 90 -1.694 22.540 8.197 678 H ARG 91 H ARG 91 -2.725 18.115 10.560 679 HA ARG 91 HA ARG 91 -2.560 18.631 13.453 680 HB2 ARG 91 2HB ARG 91 -4.775 18.159 11.731 681 HB3 ARG 91 3HB ARG 91 -4.645 16.788 12.824 682 HG2 ARG 91 2HG ARG 91 -4.436 18.612 14.663 683 HG3 ARG 91 3HG ARG 91 -5.165 19.658 13.443 684 HD2 ARG 91 2HD ARG 91 -7.075 18.194 13.268 685 HD3 ARG 91 3HD ARG 91 -6.327 17.033 14.364 686 HE ARG 91 HE ARG 91 -7.782 19.371 15.086 687 HH11 ARG 91 1HH1 ARG 91 -5.135 17.324 16.048 688 HH12 ARG 91 2HH1 ARG 91 -5.271 17.718 17.730 689 HH21 ARG 91 1HH2 ARG 91 -7.971 19.898 17.298 690 HH22 ARG 91 2HH2 ARG 91 -6.884 19.182 18.440 691 H ASP 92 H ASP 92 -2.621 16.726 14.866 692 HA ASP 92 HA ASP 92 -1.798 14.735 15.596 693 HB2 ASP 92 2HB ASP 92 -3.292 14.090 13.425 694 HB3 ASP 92 3HB ASP 92 -1.720 13.473 12.924 695 H ARG 93 H ARG 93 0.039 16.734 14.933 696 HA ARG 93 HA ARG 93 2.403 15.115 14.524 697 HB2 ARG 93 2HB ARG 93 1.793 15.757 12.228 698 HB3 ARG 93 3HB ARG 93 1.806 17.451 12.700 699 HG2 ARG 93 2HG ARG 93 3.950 17.549 12.174 700 HG3 ARG 93 3HG ARG 93 4.298 16.388 13.457 701 HD2 ARG 93 2HD ARG 93 3.697 14.578 11.789 702 HD3 ARG 93 3HD ARG 93 3.729 15.838 10.555 703 HE ARG 93 HE ARG 93 5.974 14.562 11.745 704 HH11 ARG 93 1HH1 ARG 93 4.864 17.597 10.451 705 HH12 ARG 93 2HH1 ARG 93 6.450 18.136 10.006 706 HH21 ARG 93 1HH2 ARG 93 8.066 15.260 11.164 707 HH22 ARG 93 2HH2 ARG 93 8.270 16.806 10.411 708 H VAL 94 H VAL 94 1.717 18.603 14.291 709 HA VAL 94 HA VAL 94 3.903 19.399 15.848 710 HB VAL 94 HB VAL 94 1.308 20.886 15.416 711 HG11 VAL 94 1HG1 VAL 94 2.304 22.102 17.086 712 HG12 VAL 94 2HG1 VAL 94 3.936 21.643 16.598 713 HG13 VAL 94 3HG1 VAL 94 3.042 22.845 15.668 714 HG21 VAL 94 1HG2 VAL 94 3.565 20.289 13.668 715 HG22 VAL 94 2HG2 VAL 94 1.952 20.881 13.273 716 HG23 VAL 94 3HG2 VAL 94 3.206 22.012 13.783 717 H GLY 95 H GLY 95 0.450 19.306 16.764 718 HA2 GLY 95 2HA GLY 95 -0.240 18.321 18.856 719 HA3 GLY 95 3HA GLY 95 1.311 18.791 19.535 Start of MODEL 3 1 H1 MET 1 H MET 1 1.758 3.185 3.500 2 HA MET 1 HA MET 1 0.570 1.675 5.008 3 HB2 MET 1 2HB MET 1 -0.799 4.092 5.530 4 HB3 MET 1 3HB MET 1 -1.995 2.962 4.908 5 HG2 MET 1 2HG MET 1 -1.872 1.618 6.716 6 HG3 MET 1 3HG MET 1 -0.155 1.923 6.965 7 HE1 MET 1 1HE MET 1 -1.036 2.925 10.315 8 HE2 MET 1 2HE MET 1 -2.559 2.237 9.754 9 HE3 MET 1 3HE MET 1 -1.028 1.529 9.238 10 H SER 2 H SER 2 -1.689 0.572 4.450 11 HA SER 2 HA SER 2 -2.855 -0.628 2.908 12 HB2 SER 2 2HB SER 2 -3.994 0.589 1.334 13 HB3 SER 2 3HB SER 2 -3.377 1.925 2.305 14 HG SER 2 HG SER 2 -2.681 1.112 -0.247 15 H GLN 3 H GLN 3 -2.746 -1.164 0.333 16 HA GLN 3 HA GLN 3 -0.138 -2.357 0.014 17 HB2 GLN 3 2HB GLN 3 -1.098 -3.550 -1.843 18 HB3 GLN 3 3HB GLN 3 -2.245 -3.576 -0.510 19 HG2 GLN 3 2HG GLN 3 -3.066 -1.370 -1.837 20 HG3 GLN 3 3HG GLN 3 -2.458 -2.353 -3.168 21 HE21 GLN 3 1HE2 GLN 3 -3.810 -3.763 -4.016 22 HE22 GLN 3 2HE2 GLN 3 -5.240 -4.378 -3.266 23 H ASN 4 H ASN 4 0.573 -2.395 -2.480 24 HA ASN 4 HA ASN 4 0.894 0.434 -3.228 25 HB2 ASN 4 2HB ASN 4 2.921 -0.591 -4.534 26 HB3 ASN 4 3HB ASN 4 3.050 -0.306 -2.801 27 HD21 ASN 4 1HD2 ASN 4 3.158 -2.024 -1.406 28 HD22 ASN 4 2HD2 ASN 4 3.379 -3.654 -1.936 29 H GLU 5 H GLU 5 -0.113 1.074 -5.006 30 HA GLU 5 HA GLU 5 -0.077 -0.369 -7.438 31 HB2 GLU 5 2HB GLU 5 -1.904 -1.488 -5.873 32 HB3 GLU 5 3HB GLU 5 -2.878 -0.140 -6.441 33 HG2 GLU 5 2HG GLU 5 -2.031 -0.935 -8.793 34 HG3 GLU 5 3HG GLU 5 -1.789 -2.460 -7.944 35 H GLU 6 H GLU 6 -0.235 1.065 -9.040 36 HA GLU 6 HA GLU 6 -1.378 3.702 -8.415 37 HB2 GLU 6 2HB GLU 6 0.057 4.613 -10.130 38 HB3 GLU 6 3HB GLU 6 1.026 3.647 -9.027 39 HG2 GLU 6 2HG GLU 6 0.375 1.811 -10.921 40 HG3 GLU 6 3HG GLU 6 0.492 3.285 -11.879 41 H ALA 7 H ALA 7 -2.903 4.625 -9.721 42 HA ALA 7 HA ALA 7 -4.466 2.852 -11.340 43 HB1 ALA 7 1HB ALA 7 -4.783 5.474 -10.146 44 HB2 ALA 7 2HB ALA 7 -5.439 5.404 -11.782 45 HB3 ALA 7 3HB ALA 7 -5.999 4.265 -10.558 46 HA PRO 8 HA PRO 8 -2.935 3.687 -15.367 47 HB2 PRO 8 2HB PRO 8 -5.210 3.809 -16.843 48 HB3 PRO 8 3HB PRO 8 -4.578 2.299 -16.176 49 HG2 PRO 8 2HG PRO 8 -6.762 4.062 -15.136 50 HG3 PRO 8 3HG PRO 8 -6.709 2.293 -15.245 51 HD2 PRO 8 2HD PRO 8 -6.234 3.625 -12.936 52 HD3 PRO 8 3HD PRO 8 -5.440 2.087 -13.332 53 H ALA 9 H ALA 9 -5.645 5.768 -14.404 54 HA ALA 9 HA ALA 9 -6.064 7.983 -14.720 55 HB1 ALA 9 1HB ALA 9 -4.292 9.463 -14.520 56 HB2 ALA 9 2HB ALA 9 -3.654 7.994 -13.779 57 HB3 ALA 9 3HB ALA 9 -3.190 8.424 -15.425 58 H ARG 10 H ARG 10 -6.257 6.150 -16.971 59 HA ARG 10 HA ARG 10 -5.916 8.096 -19.155 60 HB2 ARG 10 2HB ARG 10 -5.184 5.212 -19.030 61 HB3 ARG 10 3HB ARG 10 -5.826 5.826 -20.548 62 HG2 ARG 10 2HG ARG 10 -4.044 7.674 -20.291 63 HG3 ARG 10 3HG ARG 10 -3.303 6.571 -19.130 64 HD2 ARG 10 2HD ARG 10 -2.274 6.115 -21.204 65 HD3 ARG 10 3HD ARG 10 -3.422 4.804 -20.935 66 HE ARG 10 HE ARG 10 -4.516 6.962 -22.472 67 HH11 ARG 10 1HH1 ARG 10 -2.619 4.046 -22.612 68 HH12 ARG 10 2HH1 ARG 10 -2.983 3.734 -24.277 69 HH21 ARG 10 1HH2 ARG 10 -5.004 6.561 -24.664 70 HH22 ARG 10 2HH2 ARG 10 -4.339 5.165 -25.443 71 H SER 11 H SER 11 -7.606 5.055 -18.359 72 HA SER 11 HA SER 11 -10.006 6.170 -19.656 73 HB2 SER 11 2HB SER 11 -9.782 3.232 -19.260 74 HB3 SER 11 3HB SER 11 -10.493 4.139 -20.595 75 HG SER 11 HG SER 11 -8.699 3.774 -21.606 76 H GLY 12 H GLY 12 -12.081 5.434 -18.757 77 HA2 GLY 12 2HA GLY 12 -13.303 4.432 -16.929 78 HA3 GLY 12 3HA GLY 12 -11.907 4.724 -15.901 79 H GLY 13 H GLY 13 -12.004 6.423 -14.587 80 HA2 GLY 13 2HA GLY 13 -13.803 8.644 -15.331 81 HA3 GLY 13 3HA GLY 13 -13.809 7.965 -13.710 82 H LYS 14 H LYS 14 -13.380 10.659 -14.134 83 HA LYS 14 HA LYS 14 -10.672 10.927 -13.078 84 HB2 LYS 14 2HB LYS 14 -11.710 12.270 -15.552 85 HB3 LYS 14 3HB LYS 14 -10.510 13.075 -14.550 86 HG2 LYS 14 2HG LYS 14 -8.943 11.298 -14.886 87 HG3 LYS 14 3HG LYS 14 -10.158 10.324 -15.717 88 HD2 LYS 14 2HD LYS 14 -9.761 11.341 -17.663 89 HD3 LYS 14 3HD LYS 14 -9.871 12.941 -16.925 90 HE2 LYS 14 2HE LYS 14 -7.618 13.071 -16.547 91 HE3 LYS 14 3HE LYS 14 -7.430 11.323 -16.412 92 HZ1 LYS 14 1HZ LYS 14 -8.250 12.208 -19.026 93 HZ2 LYS 14 2HZ LYS 14 -7.025 11.129 -18.584 94 HZ3 LYS 14 3HZ LYS 14 -6.733 12.795 -18.561 95 H VAL 15 H VAL 15 -10.529 12.381 -11.461 96 HA VAL 15 HA VAL 15 -12.693 14.332 -11.115 97 HB VAL 15 HB VAL 15 -11.670 12.602 -8.861 98 HG11 VAL 15 1HG1 VAL 15 -12.356 14.563 -7.858 99 HG12 VAL 15 2HG1 VAL 15 -13.621 14.857 -9.053 100 HG13 VAL 15 3HG1 VAL 15 -13.838 13.608 -7.826 101 HG21 VAL 15 1HG2 VAL 15 -12.969 11.071 -9.946 102 HG22 VAL 15 2HG2 VAL 15 -14.218 11.890 -9.007 103 HG23 VAL 15 3HG2 VAL 15 -13.980 12.301 -10.705 104 H THR 16 H THR 16 -12.087 16.256 -10.215 105 HA THR 16 HA THR 16 -9.209 16.578 -9.683 106 HB THR 16 HB THR 16 -9.484 18.943 -10.271 107 HG1 THR 16 HG1 THR 16 -12.189 18.168 -10.703 108 HG21 THR 16 1HG2 THR 16 -9.912 16.723 -12.095 109 HG22 THR 16 2HG2 THR 16 -8.886 18.146 -12.274 110 HG23 THR 16 3HG2 THR 16 -10.593 18.229 -12.710 111 H PHE 17 H PHE 17 -8.724 16.761 -7.604 112 HA PHE 17 HA PHE 17 -10.721 17.858 -5.757 113 HB2 PHE 17 2HB PHE 17 -9.127 15.610 -5.573 114 HB3 PHE 17 3HB PHE 17 -8.278 16.778 -4.566 115 HD1 PHE 17 HD1 PHE 17 -8.731 16.487 -2.344 116 HD2 PHE 17 HD2 PHE 17 -11.871 15.957 -5.169 117 HE1 PHE 17 HE1 PHE 17 -10.307 16.049 -0.506 118 HE2 PHE 17 HE2 PHE 17 -13.451 15.519 -3.336 119 HZ PHE 17 HZ PHE 17 -12.671 15.565 -1.001 120 H ARG 18 H ARG 18 -10.458 19.778 -4.809 121 HA ARG 18 HA ARG 18 -7.892 21.163 -5.206 122 HB2 ARG 18 2HB ARG 18 -10.567 22.432 -4.619 123 HB3 ARG 18 3HB ARG 18 -9.093 23.238 -5.138 124 HG2 ARG 18 2HG ARG 18 -9.235 22.117 -7.301 125 HG3 ARG 18 3HG ARG 18 -10.710 21.300 -6.780 126 HD2 ARG 18 2HD ARG 18 -11.759 23.527 -6.449 127 HD3 ARG 18 3HD ARG 18 -10.307 24.268 -7.120 128 HE ARG 18 HE ARG 18 -11.158 22.429 -8.990 129 HH11 ARG 18 1HH1 ARG 18 -12.444 25.278 -7.458 130 HH12 ARG 18 2HH1 ARG 18 -13.426 25.723 -8.814 131 HH21 ARG 18 1HH2 ARG 18 -12.447 23.003 -10.782 132 HH22 ARG 18 2HH2 ARG 18 -13.428 24.427 -10.704 133 H ILE 19 H ILE 19 -6.691 20.906 -3.424 134 HA ILE 19 HA ILE 19 -7.986 21.279 -0.805 135 HB ILE 19 HB ILE 19 -5.320 19.963 -1.311 136 HG12 ILE 19 2HG1 ILE 19 -8.013 18.656 -0.868 137 HG13 ILE 19 3HG1 ILE 19 -7.144 18.699 -2.399 138 HG21 ILE 19 1HG2 ILE 19 -5.528 20.806 0.923 139 HG22 ILE 19 2HG2 ILE 19 -7.131 20.093 1.093 140 HG23 ILE 19 3HG2 ILE 19 -5.712 19.053 0.972 141 HD11 ILE 19 1HD1 ILE 19 -6.829 16.561 -1.379 142 HD12 ILE 19 2HD1 ILE 19 -5.302 17.442 -1.323 143 HD13 ILE 19 3HD1 ILE 19 -6.296 17.307 0.127 144 H ILE 20 H ILE 20 -7.480 23.019 0.352 145 HA ILE 20 HA ILE 20 -5.118 24.585 -0.454 146 HB ILE 20 HB ILE 20 -7.653 25.563 0.864 147 HG12 ILE 20 2HG1 ILE 20 -6.590 25.974 -1.940 148 HG13 ILE 20 3HG1 ILE 20 -7.965 24.967 -1.499 149 HG21 ILE 20 1HG2 ILE 20 -6.525 27.378 1.455 150 HG22 ILE 20 2HG2 ILE 20 -5.045 26.677 0.802 151 HG23 ILE 20 3HG2 ILE 20 -6.085 27.660 -0.229 152 HD11 ILE 20 1HD1 ILE 20 -9.292 26.712 -1.743 153 HD12 ILE 20 2HD1 ILE 20 -8.434 27.541 -0.443 154 HD13 ILE 20 3HD1 ILE 20 -7.904 27.736 -2.114 155 H LEU 21 H LEU 21 -3.499 24.567 0.945 156 HA LEU 21 HA LEU 21 -4.027 23.865 3.739 157 HB2 LEU 21 2HB LEU 21 -1.711 23.329 3.915 158 HB3 LEU 21 3HB LEU 21 -2.338 22.587 2.445 159 HG LEU 21 HG LEU 21 -0.993 25.233 2.222 160 HD11 LEU 21 1HD1 LEU 21 0.300 22.730 3.111 161 HD12 LEU 21 2HD1 LEU 21 0.770 24.409 3.373 162 HD13 LEU 21 3HD1 LEU 21 1.110 23.630 1.828 163 HD21 LEU 21 1HD2 LEU 21 -0.210 23.275 0.312 164 HD22 LEU 21 2HD2 LEU 21 -1.168 24.736 0.069 165 HD23 LEU 21 3HD2 LEU 21 -1.964 23.218 0.489 166 H THR 22 H THR 22 -2.907 25.030 5.444 167 HA THR 22 HA THR 22 -2.871 27.900 4.894 168 HB THR 22 HB THR 22 -2.416 27.231 7.668 169 HG1 THR 22 HG1 THR 22 -4.835 26.216 6.560 170 HG21 THR 22 1HG2 THR 22 -4.780 28.414 7.699 171 HG22 THR 22 2HG2 THR 22 -4.351 28.798 6.032 172 HG23 THR 22 3HG2 THR 22 -3.309 29.321 7.355 173 H SER 23 H SER 23 -0.712 25.339 5.248 174 HA SER 23 HA SER 23 1.434 26.824 6.470 175 HB2 SER 23 2HB SER 23 0.898 24.147 6.195 176 HB3 SER 23 3HB SER 23 2.154 24.393 4.981 177 HG SER 23 HG SER 23 3.049 23.900 7.019 178 H GLU 24 H GLU 24 0.148 26.520 3.341 179 HA GLU 24 HA GLU 24 2.622 27.607 2.165 180 HB2 GLU 24 2HB GLU 24 1.879 25.389 1.272 181 HB3 GLU 24 3HB GLU 24 0.403 26.161 0.711 182 HG2 GLU 24 2HG GLU 24 1.507 26.448 -1.201 183 HG3 GLU 24 3HG GLU 24 2.312 27.775 -0.366 184 H ARG 25 H ARG 25 1.287 29.487 3.381 185 HA ARG 25 HA ARG 25 -0.885 30.655 2.014 186 HB2 ARG 25 2HB ARG 25 0.060 31.120 4.396 187 HB3 ARG 25 3HB ARG 25 1.100 32.275 3.574 188 HG2 ARG 25 2HG ARG 25 -1.244 33.032 2.552 189 HG3 ARG 25 3HG ARG 25 -1.807 32.366 4.087 190 HD2 ARG 25 2HD ARG 25 0.335 33.829 4.894 191 HD3 ARG 25 3HD ARG 25 -0.243 34.789 3.532 192 HE ARG 25 HE ARG 25 -2.398 34.080 5.220 193 HH11 ARG 25 1HH1 ARG 25 0.364 36.193 5.047 194 HH12 ARG 25 2HH1 ARG 25 -0.332 37.400 6.077 195 HH21 ARG 25 1HH2 ARG 25 -3.324 35.662 6.577 196 HH22 ARG 25 2HH2 ARG 25 -2.429 37.096 6.947 197 H SER 26 H SER 26 2.448 30.520 1.294 198 HA SER 26 HA SER 26 2.867 32.923 -0.061 199 HB2 SER 26 2HB SER 26 4.122 30.243 -0.050 200 HB3 SER 26 3HB SER 26 4.415 31.218 -1.490 201 HG SER 26 HG SER 26 5.760 31.399 0.650 202 H GLN 27 H GLN 27 1.277 29.969 -1.068 203 HA GLN 27 HA GLN 27 -0.167 31.236 -3.125 204 HB2 GLN 27 2HB GLN 27 2.009 31.220 -4.271 205 HB3 GLN 27 3HB GLN 27 2.103 29.476 -4.066 206 HG2 GLN 27 2HG GLN 27 0.577 29.056 -5.697 207 HG3 GLN 27 3HG GLN 27 -0.280 30.575 -5.442 208 HE21 GLN 27 1HE2 GLN 27 2.016 28.922 -7.295 209 HE22 GLN 27 2HE2 GLN 27 2.542 30.247 -8.272 210 HA PRO 28 HA PRO 28 -1.640 27.112 -1.513 211 HB2 PRO 28 2HB PRO 28 -4.024 28.035 -0.600 212 HB3 PRO 28 3HB PRO 28 -2.551 28.047 0.378 213 HG2 PRO 28 2HG PRO 28 -3.813 30.274 -1.174 214 HG3 PRO 28 3HG PRO 28 -3.105 30.304 0.452 215 HD2 PRO 28 2HD PRO 28 -1.778 31.202 -1.732 216 HD3 PRO 28 3HD PRO 28 -0.950 30.451 -0.353 217 H PHE 29 H PHE 29 -2.023 26.146 -3.456 218 HA PHE 29 HA PHE 29 -4.629 26.172 -4.516 219 HB2 PHE 29 2HB PHE 29 -3.590 28.382 -5.391 220 HB3 PHE 29 3HB PHE 29 -2.667 27.340 -6.469 221 HD1 PHE 29 HD1 PHE 29 -3.519 27.068 -8.572 222 HD2 PHE 29 HD2 PHE 29 -6.206 27.706 -5.333 223 HE1 PHE 29 HE1 PHE 29 -5.416 27.009 -10.138 224 HE2 PHE 29 HE2 PHE 29 -8.107 27.647 -6.894 225 HZ PHE 29 HZ PHE 29 -7.714 27.297 -9.300 226 H ARG 30 H ARG 30 -3.207 24.100 -3.679 227 HA ARG 30 HA ARG 30 -1.909 22.836 -5.967 228 HB2 ARG 30 2HB ARG 30 -1.944 22.395 -3.040 229 HB3 ARG 30 3HB ARG 30 -1.809 20.951 -4.036 230 HG2 ARG 30 2HG ARG 30 0.011 23.340 -4.243 231 HG3 ARG 30 3HG ARG 30 0.369 21.878 -3.322 232 HD2 ARG 30 2HD ARG 30 0.007 20.605 -5.488 233 HD3 ARG 30 3HD ARG 30 0.033 22.172 -6.296 234 HE ARG 30 HE ARG 30 2.277 20.713 -5.336 235 HH11 ARG 30 1HH1 ARG 30 1.043 23.936 -5.793 236 HH12 ARG 30 2HH1 ARG 30 2.613 24.658 -5.926 237 HH21 ARG 30 1HH2 ARG 30 4.348 21.652 -5.510 238 HH22 ARG 30 2HH2 ARG 30 4.492 23.358 -5.766 239 H VAL 31 H VAL 31 -3.101 21.719 -7.351 240 HA VAL 31 HA VAL 31 -5.577 20.449 -6.392 241 HB VAL 31 HB VAL 31 -5.873 22.122 -8.185 242 HG11 VAL 31 1HG1 VAL 31 -4.739 22.128 -10.133 243 HG12 VAL 31 2HG1 VAL 31 -3.554 21.196 -9.215 244 HG13 VAL 31 3HG1 VAL 31 -4.719 20.368 -10.249 245 HG21 VAL 31 1HG2 VAL 31 -6.440 19.306 -9.108 246 HG22 VAL 31 2HG2 VAL 31 -7.412 20.203 -7.941 247 HG23 VAL 31 3HG2 VAL 31 -7.288 20.770 -9.606 248 H ILE 32 H ILE 32 -5.894 18.297 -6.623 249 HA ILE 32 HA ILE 32 -3.695 16.751 -7.829 250 HB ILE 32 HB ILE 32 -4.523 14.877 -6.328 251 HG12 ILE 32 2HG1 ILE 32 -5.845 17.165 -4.857 252 HG13 ILE 32 3HG1 ILE 32 -6.717 15.984 -5.828 253 HG21 ILE 32 1HG2 ILE 32 -2.604 15.510 -5.387 254 HG22 ILE 32 2HG2 ILE 32 -2.932 17.217 -5.679 255 HG23 ILE 32 3HG2 ILE 32 -3.587 16.426 -4.246 256 HD11 ILE 32 1HD1 ILE 32 -4.959 15.149 -3.554 257 HD12 ILE 32 2HD1 ILE 32 -6.637 15.632 -3.309 258 HD13 ILE 32 3HD1 ILE 32 -6.258 14.252 -4.338 259 H SER 33 H SER 33 -4.147 15.430 -9.473 260 HA SER 33 HA SER 33 -6.967 15.077 -10.214 261 HB2 SER 33 2HB SER 33 -5.936 14.402 -12.464 262 HB3 SER 33 3HB SER 33 -5.803 16.099 -12.002 263 HG SER 33 HG SER 33 -3.803 15.407 -12.708 264 H ILE 34 H ILE 34 -7.875 13.173 -9.861 265 HA ILE 34 HA ILE 34 -6.363 10.724 -10.263 266 HB ILE 34 HB ILE 34 -6.952 9.757 -8.111 267 HG12 ILE 34 2HG1 ILE 34 -8.051 12.498 -7.449 268 HG13 ILE 34 3HG1 ILE 34 -9.004 11.037 -7.689 269 HG21 ILE 34 1HG2 ILE 34 -4.811 10.994 -8.408 270 HG22 ILE 34 2HG2 ILE 34 -5.581 12.404 -7.683 271 HG23 ILE 34 3HG2 ILE 34 -5.376 10.929 -6.739 272 HD11 ILE 34 1HD1 ILE 34 -7.941 10.030 -5.737 273 HD12 ILE 34 2HD1 ILE 34 -6.997 11.500 -5.496 274 HD13 ILE 34 3HD1 ILE 34 -8.752 11.542 -5.334 275 H ALA 35 H ALA 35 -7.660 8.897 -10.615 276 HA ALA 35 HA ALA 35 -10.155 9.387 -11.830 277 HB1 ALA 35 1HB ALA 35 -10.079 7.223 -12.499 278 HB2 ALA 35 2HB ALA 35 -8.391 7.392 -12.015 279 HB3 ALA 35 3HB ALA 35 -9.551 6.636 -10.922 280 H GLU 36 H GLU 36 -12.254 8.725 -11.217 281 HA GLU 36 HA GLU 36 -12.980 9.317 -8.582 282 HB2 GLU 36 2HB GLU 36 -14.324 8.982 -10.948 283 HB3 GLU 36 3HB GLU 36 -14.856 7.581 -10.029 284 HG2 GLU 36 2HG GLU 36 -14.971 9.828 -8.313 285 HG3 GLU 36 3HG GLU 36 -15.732 10.271 -9.840 286 H GLU 37 H GLU 37 -11.978 6.350 -10.052 287 HA GLU 37 HA GLU 37 -12.632 4.904 -7.569 288 HB2 GLU 37 2HB GLU 37 -13.092 4.234 -10.324 289 HB3 GLU 37 3HB GLU 37 -12.010 3.049 -9.607 290 HG2 GLU 37 2HG GLU 37 -14.269 3.693 -7.896 291 HG3 GLU 37 3HG GLU 37 -14.750 3.041 -9.462 292 H ALA 38 H ALA 38 -10.179 6.469 -8.829 293 HA ALA 38 HA ALA 38 -8.092 4.494 -8.763 294 HB1 ALA 38 1HB ALA 38 -6.647 6.654 -8.747 295 HB2 ALA 38 2HB ALA 38 -7.571 6.233 -10.189 296 HB3 ALA 38 3HB ALA 38 -8.178 7.463 -9.081 297 HA PRO 39 HA PRO 39 -7.061 4.511 -4.496 298 HB2 PRO 39 2HB PRO 39 -4.357 4.288 -4.586 299 HB3 PRO 39 3HB PRO 39 -5.445 2.956 -4.995 300 HG2 PRO 39 2HG PRO 39 -4.000 4.846 -6.811 301 HG3 PRO 39 3HG PRO 39 -4.216 3.093 -6.964 302 HD2 PRO 39 2HD PRO 39 -5.715 4.871 -8.350 303 HD3 PRO 39 3HD PRO 39 -6.348 3.302 -7.813 304 H LEU 40 H LEU 40 -5.907 5.670 -2.804 305 HA LEU 40 HA LEU 40 -5.961 8.471 -3.179 306 HB2 LEU 40 2HB LEU 40 -6.435 7.412 -1.033 307 HB3 LEU 40 3HB LEU 40 -4.771 6.841 -0.939 308 HG LEU 40 HG LEU 40 -5.476 8.904 0.444 309 HD11 LEU 40 1HD1 LEU 40 -3.282 9.051 0.706 310 HD12 LEU 40 2HD1 LEU 40 -3.120 9.845 -0.859 311 HD13 LEU 40 3HD1 LEU 40 -3.058 8.086 -0.753 312 HD21 LEU 40 1HD2 LEU 40 -4.745 10.502 -1.943 313 HD22 LEU 40 2HD2 LEU 40 -5.764 10.920 -0.565 314 HD23 LEU 40 3HD2 LEU 40 -6.397 9.888 -1.850 315 H THR 41 H THR 41 -3.402 6.092 -3.270 316 HA THR 41 HA THR 41 -1.142 7.635 -2.964 317 HB THR 41 HB THR 41 -0.240 6.004 -4.879 318 HG1 THR 41 HG1 THR 41 -2.145 5.103 -5.540 319 HG21 THR 41 1HG2 THR 41 -1.059 4.806 -2.247 320 HG22 THR 41 2HG2 THR 41 0.188 6.049 -2.348 321 HG23 THR 41 3HG2 THR 41 0.404 4.513 -3.186 322 H ALA 42 H ALA 42 -3.335 7.488 -5.675 323 HA ALA 42 HA ALA 42 -1.735 8.644 -7.658 324 HB1 ALA 42 1HB ALA 42 -3.828 9.238 -8.767 325 HB2 ALA 42 2HB ALA 42 -3.886 7.594 -8.132 326 HB3 ALA 42 3HB ALA 42 -4.717 8.896 -7.283 327 H ALA 43 H ALA 43 -3.723 10.119 -5.137 328 HA ALA 43 HA ALA 43 -3.278 12.800 -6.054 329 HB1 ALA 43 1HB ALA 43 -5.265 12.608 -4.895 330 HB2 ALA 43 2HB ALA 43 -4.561 11.579 -3.647 331 HB3 ALA 43 3HB ALA 43 -4.198 13.305 -3.676 332 H LEU 44 H LEU 44 -1.687 10.601 -3.879 333 HA LEU 44 HA LEU 44 -0.259 12.288 -2.235 334 HB2 LEU 44 2HB LEU 44 -0.288 9.616 -2.689 335 HB3 LEU 44 3HB LEU 44 1.290 10.047 -3.345 336 HG LEU 44 HG LEU 44 1.599 11.237 -1.036 337 HD11 LEU 44 1HD1 LEU 44 0.402 10.328 0.777 338 HD12 LEU 44 2HD1 LEU 44 -0.333 9.081 -0.230 339 HD13 LEU 44 3HD1 LEU 44 -0.812 10.767 -0.425 340 HD21 LEU 44 1HD2 LEU 44 2.540 8.967 -2.112 341 HD22 LEU 44 2HD2 LEU 44 1.687 8.302 -0.719 342 HD23 LEU 44 3HD2 LEU 44 2.951 9.512 -0.486 343 H ARG 45 H ARG 45 0.195 11.638 -5.626 344 HA ARG 45 HA ARG 45 2.802 12.428 -6.046 345 HB2 ARG 45 2HB ARG 45 0.369 12.249 -7.646 346 HB3 ARG 45 3HB ARG 45 1.446 13.525 -8.199 347 HG2 ARG 45 2HG ARG 45 3.216 11.996 -8.568 348 HG3 ARG 45 3HG ARG 45 2.361 10.703 -7.724 349 HD2 ARG 45 2HD ARG 45 1.096 10.197 -9.517 350 HD3 ARG 45 3HD ARG 45 0.907 11.886 -9.985 351 HE ARG 45 HE ARG 45 2.837 10.032 -10.983 352 HH11 ARG 45 1HH1 ARG 45 2.251 13.397 -10.312 353 HH12 ARG 45 2HH1 ARG 45 3.380 13.965 -11.496 354 HH21 ARG 45 1HH2 ARG 45 4.327 10.767 -12.546 355 HH22 ARG 45 2HH2 ARG 45 4.560 12.468 -12.767 356 H PHE 46 H PHE 46 -0.074 14.536 -6.194 357 HA PHE 46 HA PHE 46 1.609 16.897 -6.140 358 HB2 PHE 46 2HB PHE 46 -1.167 16.284 -6.826 359 HB3 PHE 46 3HB PHE 46 -0.999 17.775 -5.905 360 HD1 PHE 46 HD1 PHE 46 1.144 19.218 -6.769 361 HD2 PHE 46 HD2 PHE 46 -1.202 16.534 -9.095 362 HE1 PHE 46 HE1 PHE 46 1.819 20.407 -8.815 363 HE2 PHE 46 HE2 PHE 46 -0.530 17.717 -11.145 364 HZ PHE 46 HZ PHE 46 0.983 19.656 -11.007 365 H ALA 47 H ALA 47 -0.483 15.096 -3.997 366 HA ALA 47 HA ALA 47 -0.831 17.008 -1.977 367 HB1 ALA 47 1HB ALA 47 -1.118 14.092 -2.217 368 HB2 ALA 47 2HB ALA 47 -0.841 14.691 -0.581 369 HB3 ALA 47 3HB ALA 47 -2.209 15.290 -1.520 370 H ALA 48 H ALA 48 1.839 14.875 -2.722 371 HA ALA 48 HA ALA 48 3.229 14.959 -0.304 372 HB1 ALA 48 1HB ALA 48 5.189 14.335 -1.568 373 HB2 ALA 48 2HB ALA 48 3.784 13.469 -2.192 374 HB3 ALA 48 3HB ALA 48 4.425 14.858 -3.070 375 H GLU 49 H GLU 49 2.877 17.349 -2.804 376 HA GLU 49 HA GLU 49 5.078 18.975 -1.899 377 HB2 GLU 49 2HB GLU 49 2.821 19.623 -3.804 378 HB3 GLU 49 3HB GLU 49 4.250 20.613 -3.540 379 HG2 GLU 49 2HG GLU 49 4.025 17.957 -4.894 380 HG3 GLU 49 3HG GLU 49 4.716 19.462 -5.500 381 H GLU 50 H GLU 50 1.579 18.917 -1.513 382 HA GLU 50 HA GLU 50 1.226 21.420 -0.322 383 HB2 GLU 50 2HB GLU 50 -0.336 18.940 0.394 384 HB3 GLU 50 3HB GLU 50 -0.882 20.610 0.458 385 HG2 GLU 50 2HG GLU 50 -0.596 20.689 -2.036 386 HG3 GLU 50 3HG GLU 50 -0.340 18.946 -1.982 387 H PHE 51 H PHE 51 1.996 18.278 1.122 388 HA PHE 51 HA PHE 51 2.254 19.517 3.753 389 HB2 PHE 51 2HB PHE 51 1.433 16.982 2.882 390 HB3 PHE 51 3HB PHE 51 2.991 16.720 3.660 391 HD1 PHE 51 HD1 PHE 51 -0.266 18.437 4.216 392 HD2 PHE 51 HD2 PHE 51 3.078 16.453 5.947 393 HE1 PHE 51 HE1 PHE 51 -1.358 18.526 6.418 394 HE2 PHE 51 HE2 PHE 51 1.990 16.538 8.153 395 HZ PHE 51 HZ PHE 51 -0.231 17.575 8.390 396 H GLY 52 H GLY 52 4.182 18.484 1.106 397 HA2 GLY 52 2HA GLY 52 6.444 18.804 0.746 398 HA3 GLY 52 3HA GLY 52 6.566 19.476 2.366 399 H ILE 53 H ILE 53 5.033 16.516 2.505 400 HA ILE 53 HA ILE 53 7.472 14.933 2.639 401 HB ILE 53 HB ILE 53 7.108 14.158 4.895 402 HG12 ILE 53 2HG1 ILE 53 4.782 16.093 4.966 403 HG13 ILE 53 3HG1 ILE 53 4.659 14.337 4.945 404 HG21 ILE 53 1HG2 ILE 53 7.043 17.172 4.842 405 HG22 ILE 53 2HG2 ILE 53 7.693 16.155 6.127 406 HG23 ILE 53 3HG2 ILE 53 8.473 16.182 4.546 407 HD11 ILE 53 1HD1 ILE 53 4.391 14.751 7.167 408 HD12 ILE 53 2HD1 ILE 53 6.141 14.540 7.102 409 HD13 ILE 53 3HD1 ILE 53 5.449 16.162 7.148 410 H ALA 54 H ALA 54 6.624 12.659 3.750 411 HA ALA 54 HA ALA 54 4.093 11.931 2.462 412 HB1 ALA 54 1HB ALA 54 6.396 10.064 2.164 413 HB2 ALA 54 2HB ALA 54 4.958 10.251 1.160 414 HB3 ALA 54 3HB ALA 54 6.258 11.439 1.069 415 H SER 55 H SER 55 3.239 11.821 4.583 416 HA SER 55 HA SER 55 3.265 9.287 5.760 417 HB2 SER 55 2HB SER 55 5.398 11.030 6.657 418 HB3 SER 55 3HB SER 55 4.322 10.611 7.991 419 HG SER 55 HG SER 55 4.665 8.432 7.525 420 H VAL 56 H VAL 56 3.309 12.448 7.386 421 HA VAL 56 HA VAL 56 0.847 11.971 8.716 422 HB VAL 56 HB VAL 56 2.328 14.574 8.316 423 HG11 VAL 56 1HG1 VAL 56 1.054 15.347 10.273 424 HG12 VAL 56 2HG1 VAL 56 0.007 14.966 8.905 425 HG13 VAL 56 3HG1 VAL 56 0.138 13.840 10.256 426 HG21 VAL 56 1HG2 VAL 56 2.448 12.472 10.464 427 HG22 VAL 56 2HG2 VAL 56 3.765 13.088 9.466 428 HG23 VAL 56 3HG2 VAL 56 3.041 14.116 10.701 429 H ASP 57 H ASP 57 1.672 13.315 5.645 430 HA ASP 57 HA ASP 57 -0.605 14.912 5.195 431 HB2 ASP 57 2HB ASP 57 0.100 15.057 2.975 432 HB3 ASP 57 3HB ASP 57 1.601 14.737 3.839 433 H SER 58 H SER 58 -0.236 11.540 5.401 434 HA SER 58 HA SER 58 -2.177 10.624 3.603 435 HB2 SER 58 2HB SER 58 -0.605 9.109 4.705 436 HB3 SER 58 3HB SER 58 -1.344 9.452 6.269 437 HG SER 58 HG SER 58 -2.082 7.487 5.226 438 H MET 59 H MET 59 -2.450 12.013 6.800 439 HA MET 59 HA MET 59 -5.312 12.299 6.429 440 HB2 MET 59 2HB MET 59 -4.192 10.878 8.851 441 HB3 MET 59 3HB MET 59 -5.874 11.330 8.614 442 HG2 MET 59 2HG MET 59 -5.924 9.859 6.614 443 HG3 MET 59 3HG MET 59 -4.294 9.328 7.023 444 HE1 MET 59 1HE MET 59 -4.338 6.817 7.831 445 HE2 MET 59 2HE MET 59 -3.626 7.960 8.970 446 HE3 MET 59 3HE MET 59 -4.695 6.683 9.554 447 H ALA 60 H ALA 60 -4.632 14.515 6.284 448 HA ALA 60 HA ALA 60 -4.518 15.781 8.902 449 HB1 ALA 60 1HB ALA 60 -2.548 16.939 8.629 450 HB2 ALA 60 2HB ALA 60 -2.146 15.389 7.890 451 HB3 ALA 60 3HB ALA 60 -2.564 16.768 6.874 452 H ALA 61 H ALA 61 -6.745 16.135 8.010 453 HA ALA 61 HA ALA 61 -6.875 18.776 6.858 454 HB1 ALA 61 1HB ALA 61 -7.254 18.197 4.751 455 HB2 ALA 61 2HB ALA 61 -7.184 16.485 5.173 456 HB3 ALA 61 3HB ALA 61 -8.715 17.356 5.272 457 H THR 62 H THR 62 -8.961 19.740 7.048 458 HA THR 62 HA THR 62 -10.859 18.244 8.729 459 HB THR 62 HB THR 62 -11.303 20.700 9.673 460 HG1 THR 62 HG1 THR 62 -9.515 21.946 9.681 461 HG21 THR 62 1HG2 THR 62 -8.947 19.201 10.771 462 HG22 THR 62 2HG2 THR 62 -10.569 18.511 10.834 463 HG23 THR 62 3HG2 THR 62 -10.230 20.043 11.638 464 H THR 63 H THR 63 -13.060 18.963 8.614 465 HA THR 63 HA THR 63 -13.700 20.117 5.998 466 HB THR 63 HB THR 63 -15.982 19.230 6.384 467 HG1 THR 63 HG1 THR 63 -16.471 18.754 8.380 468 HG21 THR 63 1HG2 THR 63 -14.874 17.669 5.154 469 HG22 THR 63 2HG2 THR 63 -15.090 16.717 6.623 470 HG23 THR 63 3HG2 THR 63 -13.556 17.530 6.318 471 H LYS 64 H LYS 64 -15.622 21.544 5.872 472 HA LYS 64 HA LYS 64 -15.319 23.824 7.451 473 HB2 LYS 64 2HB LYS 64 -17.461 24.571 6.448 474 HB3 LYS 64 3HB LYS 64 -16.327 23.948 5.257 475 HG2 LYS 64 2HG LYS 64 -18.202 21.968 6.346 476 HG3 LYS 64 3HG LYS 64 -18.933 23.260 5.392 477 HD2 LYS 64 2HD LYS 64 -18.292 22.237 3.527 478 HD3 LYS 64 3HD LYS 64 -16.606 22.390 4.026 479 HE2 LYS 64 2HE LYS 64 -16.606 20.149 4.014 480 HE3 LYS 64 3HE LYS 64 -17.456 20.293 5.551 481 HZ1 LYS 64 1HZ LYS 64 -19.434 20.506 3.701 482 HZ2 LYS 64 2HZ LYS 64 -19.048 19.109 4.574 483 HZ3 LYS 64 3HZ LYS 64 -18.412 19.340 3.023 484 H ASP 65 H ASP 65 -17.160 20.947 7.981 485 HA ASP 65 HA ASP 65 -18.806 22.142 10.051 486 HB2 ASP 65 2HB ASP 65 -18.676 19.509 8.678 487 HB3 ASP 65 3HB ASP 65 -19.313 19.523 10.320 488 H GLY 66 H GLY 66 -15.807 20.471 9.768 489 HA2 GLY 66 2HA GLY 66 -14.649 20.999 12.092 490 HA3 GLY 66 3HA GLY 66 -15.760 19.732 12.591 491 H THR 67 H THR 67 -15.056 17.704 12.490 492 HA THR 67 HA THR 67 -12.433 17.051 11.795 493 HB THR 67 HB THR 67 -13.677 14.636 11.591 494 HG1 THR 67 HG1 THR 67 -15.693 14.906 12.164 495 HG21 THR 67 1HG2 THR 67 -13.493 14.891 14.293 496 HG22 THR 67 2HG2 THR 67 -12.471 16.223 13.752 497 HG23 THR 67 3HG2 THR 67 -12.126 14.576 13.226 498 H GLY 68 H GLY 68 -11.453 16.455 9.951 499 HA2 GLY 68 2HA GLY 68 -13.160 15.880 7.611 500 HA3 GLY 68 3HA GLY 68 -11.799 16.984 7.497 501 H ILE 69 H ILE 69 -11.461 14.227 9.535 502 HA ILE 69 HA ILE 69 -9.388 13.188 7.792 503 HB ILE 69 HB ILE 69 -10.284 12.252 10.521 504 HG12 ILE 69 2HG1 ILE 69 -7.664 13.325 10.543 505 HG13 ILE 69 3HG1 ILE 69 -8.675 14.473 9.673 506 HG21 ILE 69 1HG2 ILE 69 -7.831 11.276 10.335 507 HG22 ILE 69 2HG2 ILE 69 -9.233 10.384 9.748 508 HG23 ILE 69 3HG2 ILE 69 -8.224 11.283 8.616 509 HD11 ILE 69 1HD1 ILE 69 -9.974 13.535 12.071 510 HD12 ILE 69 2HD1 ILE 69 -8.396 14.243 12.415 511 HD13 ILE 69 3HD1 ILE 69 -9.613 15.180 11.549 512 H ASN 70 H ASN 70 -9.595 11.500 6.473 513 HA ASN 70 HA ASN 70 -12.064 9.911 6.637 514 HB2 ASN 70 2HB ASN 70 -10.553 11.055 4.426 515 HB3 ASN 70 3HB ASN 70 -10.864 9.337 4.195 516 HD21 ASN 70 1HD2 ASN 70 -11.929 11.591 2.730 517 HD22 ASN 70 2HD2 ASN 70 -13.648 11.510 2.888 518 HA PRO 71 HA PRO 71 -9.917 6.195 7.546 519 HB2 PRO 71 2HB PRO 71 -11.246 4.370 6.039 520 HB3 PRO 71 3HB PRO 71 -11.946 5.119 7.479 521 HG2 PRO 71 2HG PRO 71 -12.362 5.805 4.595 522 HG3 PRO 71 3HG PRO 71 -13.555 5.691 5.901 523 HD2 PRO 71 2HD PRO 71 -12.566 8.057 5.034 524 HD3 PRO 71 3HD PRO 71 -13.043 7.783 6.722 525 H ALA 72 H ALA 72 -10.596 6.430 4.050 526 HA ALA 72 HA ALA 72 -7.884 5.389 3.547 527 HB1 ALA 72 1HB ALA 72 -10.084 5.216 1.526 528 HB2 ALA 72 2HB ALA 72 -8.626 4.235 1.680 529 HB3 ALA 72 3HB ALA 72 -9.956 4.022 2.818 530 H GLN 73 H GLN 73 -10.169 7.914 2.946 531 HA GLN 73 HA GLN 73 -10.012 9.928 1.902 532 HB2 GLN 73 2HB GLN 73 -7.035 9.484 1.764 533 HB3 GLN 73 3HB GLN 73 -7.901 11.013 1.842 534 HG2 GLN 73 2HG GLN 73 -8.700 9.745 4.140 535 HG3 GLN 73 3HG GLN 73 -7.015 9.251 3.979 536 HE21 GLN 73 1HE2 GLN 73 -7.867 10.820 6.070 537 HE22 GLN 73 2HE2 GLN 73 -7.192 12.403 5.913 538 H THR 74 H THR 74 -10.428 7.587 0.316 539 HA THR 74 HA THR 74 -8.850 7.805 -2.077 540 HB THR 74 HB THR 74 -11.495 6.393 -1.977 541 HG1 THR 74 HG1 THR 74 -9.068 5.261 -1.019 542 HG21 THR 74 1HG2 THR 74 -9.612 4.783 -3.179 543 HG22 THR 74 2HG2 THR 74 -9.107 6.405 -3.654 544 HG23 THR 74 3HG2 THR 74 -10.741 5.848 -4.016 545 H ALA 75 H ALA 75 -9.843 8.200 -4.212 546 HA ALA 75 HA ALA 75 -11.069 10.720 -4.334 547 HB1 ALA 75 1HB ALA 75 -9.813 9.061 -6.126 548 HB2 ALA 75 2HB ALA 75 -11.476 9.088 -6.712 549 HB3 ALA 75 3HB ALA 75 -10.588 10.598 -6.511 550 H GLY 76 H GLY 76 -12.408 7.456 -4.725 551 HA2 GLY 76 2HA GLY 76 -15.033 8.290 -5.390 552 HA3 GLY 76 3HA GLY 76 -14.578 6.702 -4.791 553 H ASN 77 H ASN 77 -13.472 7.561 -2.308 554 HA ASN 77 HA ASN 77 -15.872 7.715 -0.775 555 HB2 ASN 77 2HB ASN 77 -13.109 7.104 -0.304 556 HB3 ASN 77 3HB ASN 77 -13.647 8.288 0.884 557 HD21 ASN 77 1HD2 ASN 77 -13.705 5.040 -0.086 558 HD22 ASN 77 2HD2 ASN 77 -14.781 4.447 1.129 559 H VAL 78 H VAL 78 -13.034 9.881 -0.846 560 HA VAL 78 HA VAL 78 -14.093 11.978 0.595 561 HB VAL 78 HB VAL 78 -12.448 13.414 -0.418 562 HG11 VAL 78 1HG1 VAL 78 -11.864 10.861 0.677 563 HG12 VAL 78 2HG1 VAL 78 -10.654 11.219 -0.557 564 HG13 VAL 78 3HG1 VAL 78 -10.915 12.344 0.777 565 HG21 VAL 78 1HG2 VAL 78 -12.567 11.415 -2.622 566 HG22 VAL 78 2HG2 VAL 78 -12.521 13.177 -2.698 567 HG23 VAL 78 3HG2 VAL 78 -11.052 12.271 -2.334 568 H PHE 79 H PHE 79 -14.674 11.084 -2.725 569 HA PHE 79 HA PHE 79 -15.690 13.443 -3.766 570 HB2 PHE 79 2HB PHE 79 -15.354 11.588 -5.229 571 HB3 PHE 79 3HB PHE 79 -16.447 10.570 -4.296 572 HD1 PHE 79 HD1 PHE 79 -18.763 10.557 -4.720 573 HD2 PHE 79 HD2 PHE 79 -16.278 13.483 -6.559 574 HE1 PHE 79 HE1 PHE 79 -20.625 11.209 -6.191 575 HE2 PHE 79 HE2 PHE 79 -18.136 14.140 -8.031 576 HZ PHE 79 HZ PHE 79 -20.313 13.004 -7.848 577 H MET 80 H MET 80 -17.414 10.885 -1.998 578 HA MET 80 HA MET 80 -19.801 12.559 -1.876 579 HB2 MET 80 2HB MET 80 -20.885 10.580 -0.902 580 HB3 MET 80 3HB MET 80 -20.114 10.208 -2.439 581 HG2 MET 80 2HG MET 80 -18.586 8.833 -1.502 582 HG3 MET 80 3HG MET 80 -18.503 9.761 -0.006 583 HE1 MET 80 1HE MET 80 -19.276 6.761 -1.622 584 HE2 MET 80 2HE MET 80 -20.477 5.888 -0.669 585 HE3 MET 80 3HE MET 80 -20.996 7.029 -1.911 586 H LYS 81 H LYS 81 -17.074 11.761 0.003 587 HA LYS 81 HA LYS 81 -18.224 12.102 2.591 588 HB2 LYS 81 2HB LYS 81 -15.879 11.088 1.720 589 HB3 LYS 81 3HB LYS 81 -15.346 12.692 2.207 590 HG2 LYS 81 2HG LYS 81 -15.071 11.707 4.203 591 HG3 LYS 81 3HG LYS 81 -16.805 12.001 4.364 592 HD2 LYS 81 2HD LYS 81 -15.574 9.459 3.302 593 HD3 LYS 81 3HD LYS 81 -16.154 9.687 4.953 594 HE2 LYS 81 2HE LYS 81 -18.373 10.384 3.784 595 HE3 LYS 81 3HE LYS 81 -17.705 9.519 2.401 596 HZ1 LYS 81 1HZ LYS 81 -18.740 8.490 4.900 597 HZ2 LYS 81 2HZ LYS 81 -17.309 7.757 4.373 598 HZ3 LYS 81 3HZ LYS 81 -18.674 7.764 3.373 599 H TYR 82 H TYR 82 -16.063 14.189 0.664 600 HA TYR 82 HA TYR 82 -17.196 16.503 2.096 601 HB2 TYR 82 2HB TYR 82 -14.445 16.453 0.869 602 HB3 TYR 82 3HB TYR 82 -15.096 17.591 2.043 603 HD1 TYR 82 HD1 TYR 82 -12.576 15.555 1.947 604 HD2 TYR 82 HD2 TYR 82 -16.291 15.723 4.015 605 HE1 TYR 82 HE1 TYR 82 -11.615 14.214 3.771 606 HE2 TYR 82 HE2 TYR 82 -15.340 14.384 5.845 607 HH TYR 82 HH TYR 82 -13.592 13.022 6.414 608 H GLY 83 H GLY 83 -16.310 15.098 -0.958 609 HA2 GLY 83 2HA GLY 83 -16.630 15.782 -3.129 610 HA3 GLY 83 3HA GLY 83 -18.078 16.550 -2.496 611 H GLN 84 H GLN 84 -14.594 17.040 -2.934 612 HA GLN 84 HA GLN 84 -13.347 18.925 -3.226 613 HB2 GLN 84 2HB GLN 84 -15.879 19.886 -4.568 614 HB3 GLN 84 3HB GLN 84 -14.279 20.584 -4.777 615 HG2 GLN 84 2HG GLN 84 -13.487 18.520 -5.781 616 HG3 GLN 84 3HG GLN 84 -15.067 17.779 -5.531 617 HE21 GLN 84 1HE2 GLN 84 -14.516 17.535 -7.954 618 HE22 GLN 84 2HE2 GLN 84 -15.184 18.749 -8.986 619 H GLU 85 H GLU 85 -14.269 18.840 -0.703 620 HA GLU 85 HA GLU 85 -14.480 21.649 -0.045 621 HB2 GLU 85 2HB GLU 85 -16.854 20.550 -0.330 622 HB3 GLU 85 3HB GLU 85 -16.512 19.883 1.260 623 HG2 GLU 85 2HG GLU 85 -17.722 21.849 1.647 624 HG3 GLU 85 3HG GLU 85 -16.044 22.251 2.008 625 H ILE 86 H ILE 86 -12.281 20.627 0.532 626 HA ILE 86 HA ILE 86 -12.363 20.008 3.387 627 HB ILE 86 HB ILE 86 -12.192 17.836 2.193 628 HG12 ILE 86 2HG1 ILE 86 -10.098 17.076 3.403 629 HG13 ILE 86 3HG1 ILE 86 -9.827 18.762 3.829 630 HG21 ILE 86 1HG2 ILE 86 -9.595 18.986 1.180 631 HG22 ILE 86 2HG2 ILE 86 -10.078 17.296 1.039 632 HG23 ILE 86 3HG2 ILE 86 -11.004 18.549 0.213 633 HD11 ILE 86 1HD1 ILE 86 -12.086 18.745 4.912 634 HD12 ILE 86 2HD1 ILE 86 -12.111 17.000 4.660 635 HD13 ILE 86 3HD1 ILE 86 -10.869 17.726 5.679 636 H ARG 87 H ARG 87 -10.681 20.845 4.543 637 HA ARG 87 HA ARG 87 -8.764 22.480 3.024 638 HB2 ARG 87 2HB ARG 87 -10.361 22.973 5.383 639 HB3 ARG 87 3HB ARG 87 -8.654 23.219 5.728 640 HG2 ARG 87 2HG ARG 87 -9.717 24.427 3.244 641 HG3 ARG 87 3HG ARG 87 -10.221 25.141 4.777 642 HD2 ARG 87 2HD ARG 87 -7.391 24.600 4.782 643 HD3 ARG 87 3HD ARG 87 -7.833 25.590 3.391 644 HE ARG 87 HE ARG 87 -8.945 26.495 5.890 645 HH11 ARG 87 1HH1 ARG 87 -6.230 26.655 3.717 646 HH12 ARG 87 2HH1 ARG 87 -5.687 28.193 4.301 647 HH21 ARG 87 1HH2 ARG 87 -8.240 28.519 6.668 648 HH22 ARG 87 2HH2 ARG 87 -6.830 29.252 5.981 649 H LEU 88 H LEU 88 -6.573 22.445 3.537 650 HA LEU 88 HA LEU 88 -5.670 19.966 4.761 651 HB2 LEU 88 2HB LEU 88 -4.744 21.677 2.687 652 HB3 LEU 88 3HB LEU 88 -3.496 21.593 3.928 653 HG LEU 88 HG LEU 88 -4.729 19.134 2.712 654 HD11 LEU 88 1HD1 LEU 88 -3.611 19.447 0.827 655 HD12 LEU 88 2HD1 LEU 88 -2.105 19.609 1.730 656 HD13 LEU 88 3HD1 LEU 88 -3.092 21.032 1.398 657 HD21 LEU 88 1HD2 LEU 88 -2.179 18.543 3.420 658 HD22 LEU 88 2HD2 LEU 88 -3.589 18.276 4.447 659 HD23 LEU 88 3HD2 LEU 88 -2.609 19.729 4.654 660 H ILE 89 H ILE 89 -4.971 19.837 6.783 661 HA ILE 89 HA ILE 89 -3.864 22.240 8.064 662 HB ILE 89 HB ILE 89 -6.198 21.924 8.822 663 HG12 ILE 89 2HG1 ILE 89 -5.473 21.581 11.357 664 HG13 ILE 89 3HG1 ILE 89 -3.861 21.712 10.665 665 HG21 ILE 89 1HG2 ILE 89 -5.563 19.562 10.442 666 HG22 ILE 89 2HG2 ILE 89 -7.037 19.980 9.570 667 HG23 ILE 89 3HG2 ILE 89 -5.676 19.264 8.707 668 HD11 ILE 89 1HD1 ILE 89 -6.037 23.751 10.779 669 HD12 ILE 89 2HD1 ILE 89 -4.349 23.882 11.274 670 HD13 ILE 89 3HD1 ILE 89 -4.767 23.860 9.561 671 HA PRO 90 HA PRO 90 -0.572 19.439 9.023 672 HB2 PRO 90 2HB PRO 90 0.767 21.069 10.733 673 HB3 PRO 90 3HB PRO 90 0.793 21.287 8.979 674 HG2 PRO 90 2HG PRO 90 -0.846 22.710 11.040 675 HG3 PRO 90 3HG PRO 90 0.007 23.375 9.635 676 HD2 PRO 90 2HD PRO 90 -2.661 22.912 9.635 677 HD3 PRO 90 3HD PRO 90 -1.665 22.763 8.172 678 H ARG 91 H ARG 91 -2.225 18.083 10.169 679 HA ARG 91 HA ARG 91 -2.300 18.455 13.064 680 HB2 ARG 91 2HB ARG 91 -4.218 17.630 11.324 681 HB3 ARG 91 3HB ARG 91 -3.594 16.082 11.880 682 HG2 ARG 91 2HG ARG 91 -3.908 17.620 14.188 683 HG3 ARG 91 3HG ARG 91 -5.341 17.936 13.208 684 HD2 ARG 91 2HD ARG 91 -5.310 15.323 12.912 685 HD3 ARG 91 3HD ARG 91 -4.378 15.384 14.408 686 HE ARG 91 HE ARG 91 -6.720 16.947 14.650 687 HH11 ARG 91 1HH1 ARG 91 -5.643 13.638 14.533 688 HH12 ARG 91 2HH1 ARG 91 -6.964 13.038 15.479 689 HH21 ARG 91 1HH2 ARG 91 -8.465 16.168 15.896 690 HH22 ARG 91 2HH2 ARG 91 -8.569 14.477 16.253 691 H ASP 92 H ASP 92 -1.882 16.598 14.480 692 HA ASP 92 HA ASP 92 -0.512 14.985 15.312 693 HB2 ASP 92 2HB ASP 92 -1.528 13.962 12.952 694 HB3 ASP 92 3HB ASP 92 0.208 13.725 12.776 695 H ARG 93 H ARG 93 0.574 17.531 14.231 696 HA ARG 93 HA ARG 93 3.380 16.718 14.220 697 HB2 ARG 93 2HB ARG 93 2.112 17.427 11.863 698 HB3 ARG 93 3HB ARG 93 2.894 18.919 12.368 699 HG2 ARG 93 2HG ARG 93 5.039 17.859 12.407 700 HG3 ARG 93 3HG ARG 93 4.311 16.277 12.117 701 HD2 ARG 93 2HD ARG 93 4.172 16.624 9.910 702 HD3 ARG 93 3HD ARG 93 3.581 18.272 10.118 703 HE ARG 93 HE ARG 93 6.270 17.465 9.593 704 HH11 ARG 93 1HH1 ARG 93 4.307 19.894 11.132 705 HH12 ARG 93 2HH1 ARG 93 5.513 21.132 11.009 706 HH21 ARG 93 1HH2 ARG 93 7.866 19.087 9.426 707 HH22 ARG 93 2HH2 ARG 93 7.536 20.672 10.038 708 H VAL 94 H VAL 94 1.456 19.696 13.797 709 HA VAL 94 HA VAL 94 3.198 21.078 15.676 710 HB VAL 94 HB VAL 94 0.868 22.131 14.066 711 HG11 VAL 94 1HG1 VAL 94 1.237 23.481 16.033 712 HG12 VAL 94 2HG1 VAL 94 2.967 23.564 15.691 713 HG13 VAL 94 3HG1 VAL 94 1.814 24.348 14.611 714 HG21 VAL 94 1HG2 VAL 94 2.237 22.299 12.325 715 HG22 VAL 94 2HG2 VAL 94 3.437 23.150 13.297 716 HG23 VAL 94 3HG2 VAL 94 3.445 21.388 13.231 717 H GLY 95 H GLY 95 -0.145 19.997 15.402 718 HA2 GLY 95 2HA GLY 95 -0.790 19.388 17.892 719 HA3 GLY 95 3HA GLY 95 -0.796 21.142 18.011 Start of MODEL 4 1 H1 MET 1 H MET 1 -15.529 -3.039 -3.213 2 HA MET 1 HA MET 1 -14.026 -1.432 -1.274 3 HB2 MET 1 2HB MET 1 -16.123 -3.553 -1.040 4 HB3 MET 1 3HB MET 1 -15.017 -3.289 0.301 5 HG2 MET 1 2HG MET 1 -16.680 -1.887 0.924 6 HG3 MET 1 3HG MET 1 -15.737 -0.777 -0.068 7 HE1 MET 1 1HE MET 1 -19.735 -0.176 -0.534 8 HE2 MET 1 2HE MET 1 -18.964 -0.904 0.875 9 HE3 MET 1 3HE MET 1 -18.280 0.551 0.149 10 H SER 2 H SER 2 -14.334 -4.812 -2.357 11 HA SER 2 HA SER 2 -11.610 -5.299 -1.355 12 HB2 SER 2 2HB SER 2 -12.181 -7.659 -1.282 13 HB3 SER 2 3HB SER 2 -13.413 -6.739 -0.417 14 HG SER 2 HG SER 2 -14.803 -7.572 -1.736 15 H GLN 3 H GLN 3 -12.339 -4.017 -3.913 16 HA GLN 3 HA GLN 3 -11.572 -6.012 -5.896 17 HB2 GLN 3 2HB GLN 3 -13.188 -3.714 -5.954 18 HB3 GLN 3 3HB GLN 3 -11.780 -3.329 -6.935 19 HG2 GLN 3 2HG GLN 3 -12.646 -5.947 -7.610 20 HG3 GLN 3 3HG GLN 3 -14.044 -4.874 -7.624 21 HE21 GLN 3 1HE2 GLN 3 -14.369 -4.663 -9.760 22 HE22 GLN 3 2HE2 GLN 3 -13.219 -4.000 -10.867 23 H ASN 4 H ASN 4 -9.689 -5.957 -7.079 24 HA ASN 4 HA ASN 4 -7.600 -4.161 -6.040 25 HB2 ASN 4 2HB ASN 4 -6.091 -6.021 -7.126 26 HB3 ASN 4 3HB ASN 4 -6.807 -6.274 -5.537 27 HD21 ASN 4 1HD2 ASN 4 -6.502 -7.439 -8.683 28 HD22 ASN 4 2HD2 ASN 4 -7.665 -8.713 -8.591 29 H GLU 5 H GLU 5 -7.391 -2.489 -7.394 30 HA GLU 5 HA GLU 5 -6.455 -2.908 -10.051 31 HB2 GLU 5 2HB GLU 5 -9.218 -2.867 -9.829 32 HB3 GLU 5 3HB GLU 5 -8.819 -1.219 -10.293 33 HG2 GLU 5 2HG GLU 5 -8.074 -1.825 -12.348 34 HG3 GLU 5 3HG GLU 5 -7.523 -3.409 -11.805 35 H GLU 6 H GLU 6 -5.200 -1.241 -10.647 36 HA GLU 6 HA GLU 6 -5.647 1.393 -9.453 37 HB2 GLU 6 2HB GLU 6 -2.956 0.017 -9.425 38 HB3 GLU 6 3HB GLU 6 -3.314 1.626 -8.813 39 HG2 GLU 6 2HG GLU 6 -4.882 0.554 -7.180 40 HG3 GLU 6 3HG GLU 6 -4.254 -1.006 -7.709 41 H ALA 7 H ALA 7 -5.926 2.646 -11.177 42 HA ALA 7 HA ALA 7 -4.887 2.094 -13.749 43 HB1 ALA 7 1HB ALA 7 -6.499 3.528 -14.260 44 HB2 ALA 7 2HB ALA 7 -6.660 3.999 -12.567 45 HB3 ALA 7 3HB ALA 7 -5.511 4.836 -13.610 46 HA PRO 8 HA PRO 8 -0.891 3.907 -13.754 47 HB2 PRO 8 2HB PRO 8 -0.798 5.108 -16.187 48 HB3 PRO 8 3HB PRO 8 -0.747 3.354 -15.980 49 HG2 PRO 8 2HG PRO 8 -3.062 5.110 -16.701 50 HG3 PRO 8 3HG PRO 8 -2.591 3.543 -17.384 51 HD2 PRO 8 2HD PRO 8 -4.571 3.799 -15.555 52 HD3 PRO 8 3HD PRO 8 -3.536 2.360 -15.647 53 H ALA 9 H ALA 9 -3.306 6.177 -15.079 54 HA ALA 9 HA ALA 9 -2.899 8.155 -13.138 55 HB1 ALA 9 1HB ALA 9 -0.844 8.088 -15.084 56 HB2 ALA 9 2HB ALA 9 -1.811 9.535 -15.374 57 HB3 ALA 9 3HB ALA 9 -1.090 9.259 -13.788 58 H ARG 10 H ARG 10 -3.487 7.786 -16.631 59 HA ARG 10 HA ARG 10 -5.840 9.531 -16.338 60 HB2 ARG 10 2HB ARG 10 -4.090 10.304 -17.928 61 HB3 ARG 10 3HB ARG 10 -4.333 8.835 -18.863 62 HG2 ARG 10 2HG ARG 10 -6.818 9.634 -18.927 63 HG3 ARG 10 3HG ARG 10 -6.106 11.208 -18.566 64 HD2 ARG 10 2HD ARG 10 -4.498 10.619 -20.530 65 HD3 ARG 10 3HD ARG 10 -5.763 9.476 -20.978 66 HE ARG 10 HE ARG 10 -6.994 11.927 -20.563 67 HH11 ARG 10 1HH1 ARG 10 -4.626 10.549 -22.710 68 HH12 ARG 10 2HH1 ARG 10 -5.020 11.599 -24.031 69 HH21 ARG 10 1HH2 ARG 10 -7.523 13.315 -22.294 70 HH22 ARG 10 2HH2 ARG 10 -6.668 13.173 -23.792 71 H SER 11 H SER 11 -4.695 6.415 -17.415 72 HA SER 11 HA SER 11 -6.964 5.558 -18.825 73 HB2 SER 11 2HB SER 11 -4.516 4.478 -18.287 74 HB3 SER 11 3HB SER 11 -5.559 3.485 -17.269 75 HG SER 11 HG SER 11 -5.154 3.082 -19.748 76 H GLY 12 H GLY 12 -8.526 3.898 -18.134 77 HA2 GLY 12 2HA GLY 12 -10.275 3.266 -16.788 78 HA3 GLY 12 3HA GLY 12 -9.086 3.223 -15.495 79 H GLY 13 H GLY 13 -10.547 3.989 -13.953 80 HA2 GLY 13 2HA GLY 13 -12.152 6.279 -14.248 81 HA3 GLY 13 3HA GLY 13 -11.642 5.582 -12.717 82 H LYS 14 H LYS 14 -11.935 8.372 -13.325 83 HA LYS 14 HA LYS 14 -9.225 9.232 -12.645 84 HB2 LYS 14 2HB LYS 14 -10.839 10.193 -14.980 85 HB3 LYS 14 3HB LYS 14 -9.738 11.298 -14.168 86 HG2 LYS 14 2HG LYS 14 -7.987 9.426 -14.517 87 HG3 LYS 14 3HG LYS 14 -9.123 8.825 -15.727 88 HD2 LYS 14 2HD LYS 14 -7.716 10.202 -16.964 89 HD3 LYS 14 3HD LYS 14 -9.096 11.248 -16.623 90 HE2 LYS 14 2HE LYS 14 -7.364 11.571 -14.454 91 HE3 LYS 14 3HE LYS 14 -6.326 11.554 -15.879 92 HZ1 LYS 14 1HZ LYS 14 -7.656 13.710 -14.965 93 HZ2 LYS 14 2HZ LYS 14 -8.703 13.157 -16.173 94 HZ3 LYS 14 3HZ LYS 14 -7.096 13.526 -16.551 95 H VAL 15 H VAL 15 -9.162 10.792 -11.116 96 HA VAL 15 HA VAL 15 -11.566 12.347 -10.539 97 HB VAL 15 HB VAL 15 -10.148 10.812 -8.359 98 HG11 VAL 15 1HG1 VAL 15 -12.596 12.563 -8.416 99 HG12 VAL 15 2HG1 VAL 15 -12.219 11.474 -7.080 100 HG13 VAL 15 3HG1 VAL 15 -11.117 12.791 -7.484 101 HG21 VAL 15 1HG2 VAL 15 -12.811 10.224 -9.650 102 HG22 VAL 15 2HG2 VAL 15 -11.338 9.275 -9.852 103 HG23 VAL 15 3HG2 VAL 15 -12.114 9.372 -8.272 104 H THR 16 H THR 16 -11.181 14.262 -9.381 105 HA THR 16 HA THR 16 -8.360 14.944 -8.908 106 HB THR 16 HB THR 16 -8.832 15.956 -11.022 107 HG1 THR 16 HG1 THR 16 -8.353 18.037 -10.478 108 HG21 THR 16 1HG2 THR 16 -11.282 15.848 -10.928 109 HG22 THR 16 2HG2 THR 16 -10.728 17.459 -11.385 110 HG23 THR 16 3HG2 THR 16 -11.294 17.152 -9.743 111 H PHE 17 H PHE 17 -7.973 16.041 -7.069 112 HA PHE 17 HA PHE 17 -10.301 17.042 -5.566 113 HB2 PHE 17 2HB PHE 17 -7.785 15.934 -4.320 114 HB3 PHE 17 3HB PHE 17 -9.308 16.310 -3.521 115 HD1 PHE 17 HD1 PHE 17 -11.390 15.009 -4.614 116 HD2 PHE 17 HD2 PHE 17 -7.333 13.723 -4.687 117 HE1 PHE 17 HE1 PHE 17 -12.135 12.686 -4.939 118 HE2 PHE 17 HE2 PHE 17 -8.072 11.399 -5.013 119 HZ PHE 17 HZ PHE 17 -10.475 10.878 -5.140 120 H ARG 18 H ARG 18 -9.935 18.857 -4.180 121 HA ARG 18 HA ARG 18 -7.588 20.465 -4.951 122 HB2 ARG 18 2HB ARG 18 -10.475 21.217 -4.678 123 HB3 ARG 18 3HB ARG 18 -9.231 22.424 -4.384 124 HG2 ARG 18 2HG ARG 18 -8.593 22.507 -6.571 125 HG3 ARG 18 3HG ARG 18 -9.078 20.840 -6.890 126 HD2 ARG 18 2HD ARG 18 -11.321 21.408 -7.128 127 HD3 ARG 18 3HD ARG 18 -11.126 22.930 -6.261 128 HE ARG 18 HE ARG 18 -9.584 22.976 -8.619 129 HH11 ARG 18 1HH1 ARG 18 -12.893 23.082 -7.541 130 HH12 ARG 18 2HH1 ARG 18 -13.444 23.999 -8.904 131 HH21 ARG 18 1HH2 ARG 18 -10.298 24.183 -10.418 132 HH22 ARG 18 2HH2 ARG 18 -11.967 24.624 -10.540 133 H ILE 19 H ILE 19 -6.273 20.868 -3.311 134 HA ILE 19 HA ILE 19 -7.384 20.884 -0.583 135 HB ILE 19 HB ILE 19 -4.991 20.435 0.125 136 HG12 ILE 19 2HG1 ILE 19 -4.692 19.652 -2.781 137 HG13 ILE 19 3HG1 ILE 19 -3.988 21.098 -2.065 138 HG21 ILE 19 1HG2 ILE 19 -5.617 18.048 -1.394 139 HG22 ILE 19 2HG2 ILE 19 -5.624 18.312 0.349 140 HG23 ILE 19 3HG2 ILE 19 -7.042 18.732 -0.612 141 HD11 ILE 19 1HD1 ILE 19 -2.228 19.622 -2.033 142 HD12 ILE 19 2HD1 ILE 19 -2.896 19.425 -0.412 143 HD13 ILE 19 3HD1 ILE 19 -3.256 18.237 -1.664 144 H ILE 20 H ILE 20 -7.201 22.673 0.617 145 HA ILE 20 HA ILE 20 -5.447 24.826 -0.372 146 HB ILE 20 HB ILE 20 -8.126 25.138 0.988 147 HG12 ILE 20 2HG1 ILE 20 -7.271 25.717 -1.857 148 HG13 ILE 20 3HG1 ILE 20 -8.310 24.391 -1.347 149 HG21 ILE 20 1HG2 ILE 20 -7.202 27.535 -0.215 150 HG22 ILE 20 2HG2 ILE 20 -7.513 27.208 1.490 151 HG23 ILE 20 3HG2 ILE 20 -5.913 26.906 0.812 152 HD11 ILE 20 1HD1 ILE 20 -9.542 26.645 -0.323 153 HD12 ILE 20 2HD1 ILE 20 -8.968 27.141 -1.915 154 HD13 ILE 20 3HD1 ILE 20 -10.020 25.735 -1.755 155 H LEU 21 H LEU 21 -3.797 25.093 0.972 156 HA LEU 21 HA LEU 21 -4.145 24.515 3.821 157 HB2 LEU 21 2HB LEU 21 -2.268 23.501 2.491 158 HB3 LEU 21 3HB LEU 21 -1.589 25.122 2.350 159 HG LEU 21 HG LEU 21 -1.850 24.930 5.035 160 HD11 LEU 21 1HD1 LEU 21 -0.666 22.482 5.185 161 HD12 LEU 21 2HD1 LEU 21 -1.913 22.205 3.970 162 HD13 LEU 21 3HD1 LEU 21 -2.356 22.815 5.565 163 HD21 LEU 21 1HD2 LEU 21 0.524 24.580 5.090 164 HD22 LEU 21 2HD2 LEU 21 0.137 25.589 3.696 165 HD23 LEU 21 3HD2 LEU 21 0.504 23.878 3.472 166 H THR 22 H THR 22 -3.508 25.991 5.431 167 HA THR 22 HA THR 22 -3.994 28.747 4.736 168 HB THR 22 HB THR 22 -4.908 27.722 6.816 169 HG1 THR 22 HG1 THR 22 -4.679 29.603 7.916 170 HG21 THR 22 1HG2 THR 22 -3.550 27.197 8.666 171 HG22 THR 22 2HG2 THR 22 -2.136 27.975 7.955 172 HG23 THR 22 3HG2 THR 22 -2.736 26.457 7.288 173 H SER 23 H SER 23 -1.251 26.741 5.424 174 HA SER 23 HA SER 23 0.539 28.930 5.979 175 HB2 SER 23 2HB SER 23 0.623 26.288 6.588 176 HB3 SER 23 3HB SER 23 1.681 26.321 5.178 177 HG SER 23 HG SER 23 3.129 26.994 6.538 178 H GLU 24 H GLU 24 -0.725 27.456 3.192 179 HA GLU 24 HA GLU 24 1.507 28.343 1.516 180 HB2 GLU 24 2HB GLU 24 0.132 26.045 1.385 181 HB3 GLU 24 3HB GLU 24 -0.869 27.023 0.321 182 HG2 GLU 24 2HG GLU 24 1.978 27.270 -0.236 183 HG3 GLU 24 3HG GLU 24 1.368 25.625 -0.410 184 H ARG 25 H ARG 25 0.253 30.462 2.592 185 HA ARG 25 HA ARG 25 -1.966 31.464 1.186 186 HB2 ARG 25 2HB ARG 25 -1.268 33.671 2.069 187 HB3 ARG 25 3HB ARG 25 -1.304 32.422 3.306 188 HG2 ARG 25 2HG ARG 25 1.304 32.614 2.079 189 HG3 ARG 25 3HG ARG 25 0.780 34.160 2.749 190 HD2 ARG 25 2HD ARG 25 0.731 33.369 4.897 191 HD3 ARG 25 3HD ARG 25 0.399 31.713 4.393 192 HE ARG 25 HE ARG 25 2.982 32.449 3.553 193 HH11 ARG 25 1HH1 ARG 25 1.193 31.705 6.445 194 HH12 ARG 25 2HH1 ARG 25 2.576 31.114 7.305 195 HH21 ARG 25 1HH2 ARG 25 4.811 31.674 4.675 196 HH22 ARG 25 2HH2 ARG 25 4.634 31.098 6.298 197 H SER 26 H SER 26 1.343 31.180 0.323 198 HA SER 26 HA SER 26 1.652 33.290 -1.477 199 HB2 SER 26 2HB SER 26 3.668 32.261 -1.188 200 HB3 SER 26 3HB SER 26 2.948 30.657 -1.049 201 HG SER 26 HG SER 26 3.572 30.398 -3.031 202 H GLN 27 H GLN 27 -0.008 30.239 -1.795 203 HA GLN 27 HA GLN 27 -1.524 31.078 -4.006 204 HB2 GLN 27 2HB GLN 27 0.885 30.562 -4.946 205 HB3 GLN 27 3HB GLN 27 0.332 28.895 -4.856 206 HG2 GLN 27 2HG GLN 27 -0.246 29.429 -6.998 207 HG3 GLN 27 3HG GLN 27 -1.739 29.821 -6.147 208 HE21 GLN 27 1HE2 GLN 27 -2.601 31.698 -6.636 209 HE22 GLN 27 2HE2 GLN 27 -1.763 33.080 -7.245 210 HA PRO 28 HA PRO 28 -2.955 27.394 -1.525 211 HB2 PRO 28 2HB PRO 28 -5.287 28.525 -0.718 212 HB3 PRO 28 3HB PRO 28 -3.770 28.710 0.172 213 HG2 PRO 28 2HG PRO 28 -5.084 30.597 -1.746 214 HG3 PRO 28 3HG PRO 28 -4.302 30.944 -0.193 215 HD2 PRO 28 2HD PRO 28 -3.070 31.356 -2.568 216 HD3 PRO 28 3HD PRO 28 -2.185 30.887 -1.103 217 H PHE 29 H PHE 29 -3.101 26.529 -3.738 218 HA PHE 29 HA PHE 29 -5.757 25.883 -4.432 219 HB2 PHE 29 2HB PHE 29 -5.280 28.323 -5.367 220 HB3 PHE 29 3HB PHE 29 -4.510 27.417 -6.665 221 HD1 PHE 29 HD1 PHE 29 -7.262 29.154 -6.190 222 HD2 PHE 29 HD2 PHE 29 -6.217 25.107 -6.993 223 HE1 PHE 29 HE1 PHE 29 -9.460 28.798 -7.237 224 HE2 PHE 29 HE2 PHE 29 -8.412 24.745 -8.043 225 HZ PHE 29 HZ PHE 29 -10.037 26.592 -8.166 226 H ARG 30 H ARG 30 -3.956 24.127 -3.904 227 HA ARG 30 HA ARG 30 -2.547 23.312 -6.327 228 HB2 ARG 30 2HB ARG 30 -2.045 23.047 -3.553 229 HB3 ARG 30 3HB ARG 30 -2.285 21.424 -4.185 230 HG2 ARG 30 2HG ARG 30 -0.301 23.458 -5.177 231 HG3 ARG 30 3HG ARG 30 0.053 22.000 -4.249 232 HD2 ARG 30 2HD ARG 30 -0.888 20.653 -6.109 233 HD3 ARG 30 3HD ARG 30 -1.088 22.139 -7.037 234 HE ARG 30 HE ARG 30 1.336 20.678 -6.626 235 HH11 ARG 30 1HH1 ARG 30 0.011 23.848 -7.193 236 HH12 ARG 30 2HH1 ARG 30 1.456 24.464 -7.923 237 HH21 ARG 30 1HH2 ARG 30 3.244 21.478 -7.585 238 HH22 ARG 30 2HH2 ARG 30 3.295 23.115 -8.146 239 H VAL 31 H VAL 31 -3.556 22.066 -7.747 240 HA VAL 31 HA VAL 31 -5.766 20.361 -6.850 241 HB VAL 31 HB VAL 31 -6.267 21.887 -8.697 242 HG11 VAL 31 1HG1 VAL 31 -4.909 22.234 -10.429 243 HG12 VAL 31 2HG1 VAL 31 -3.708 21.271 -9.566 244 HG13 VAL 31 3HG1 VAL 31 -4.765 20.508 -10.755 245 HG21 VAL 31 1HG2 VAL 31 -7.125 20.196 -10.309 246 HG22 VAL 31 2HG2 VAL 31 -6.203 18.966 -9.446 247 HG23 VAL 31 3HG2 VAL 31 -7.504 19.830 -8.626 248 H ILE 32 H ILE 32 -5.720 18.183 -6.999 249 HA ILE 32 HA ILE 32 -3.283 16.964 -8.124 250 HB ILE 32 HB ILE 32 -3.733 15.081 -6.490 251 HG12 ILE 32 2HG1 ILE 32 -5.494 17.185 -5.214 252 HG13 ILE 32 3HG1 ILE 32 -6.062 15.697 -5.963 253 HG21 ILE 32 1HG2 ILE 32 -2.147 15.983 -5.205 254 HG22 ILE 32 2HG2 ILE 32 -2.282 17.401 -6.244 255 HG23 ILE 32 3HG2 ILE 32 -3.181 17.331 -4.728 256 HD11 ILE 32 1HD1 ILE 32 -5.015 14.374 -4.278 257 HD12 ILE 32 2HD1 ILE 32 -4.212 15.789 -3.596 258 HD13 ILE 32 3HD1 ILE 32 -5.965 15.631 -3.487 259 H SER 33 H SER 33 -3.511 15.374 -9.586 260 HA SER 33 HA SER 33 -6.248 14.444 -10.158 261 HB2 SER 33 2HB SER 33 -5.689 14.307 -12.475 262 HB3 SER 33 3HB SER 33 -5.110 15.877 -11.917 263 HG SER 33 HG SER 33 -3.684 13.639 -12.738 264 H ILE 34 H ILE 34 -6.612 12.377 -9.745 265 HA ILE 34 HA ILE 34 -4.582 10.379 -10.315 266 HB ILE 34 HB ILE 34 -4.778 9.311 -8.103 267 HG12 ILE 34 2HG1 ILE 34 -6.192 11.859 -7.287 268 HG13 ILE 34 3HG1 ILE 34 -6.977 10.299 -7.501 269 HG21 ILE 34 1HG2 ILE 34 -2.971 10.980 -8.723 270 HG22 ILE 34 2HG2 ILE 34 -3.861 12.151 -7.750 271 HG23 ILE 34 3HG2 ILE 34 -3.217 10.690 -7.001 272 HD11 ILE 34 1HD1 ILE 34 -4.711 10.155 -5.700 273 HD12 ILE 34 2HD1 ILE 34 -5.942 11.297 -5.160 274 HD13 ILE 34 3HD1 ILE 34 -6.376 9.618 -5.477 275 H ALA 35 H ALA 35 -5.408 8.275 -10.538 276 HA ALA 35 HA ALA 35 -7.962 8.044 -11.609 277 HB1 ALA 35 1HB ALA 35 -7.261 6.011 -12.179 278 HB2 ALA 35 2HB ALA 35 -5.751 6.395 -11.352 279 HB3 ALA 35 3HB ALA 35 -7.033 5.538 -10.495 280 H GLU 36 H GLU 36 -9.887 7.110 -10.857 281 HA GLU 36 HA GLU 36 -10.657 7.813 -8.255 282 HB2 GLU 36 2HB GLU 36 -12.140 7.461 -10.299 283 HB3 GLU 36 3HB GLU 36 -12.046 5.741 -9.947 284 HG2 GLU 36 2HG GLU 36 -12.774 7.274 -7.607 285 HG3 GLU 36 3HG GLU 36 -13.888 7.543 -8.946 286 H GLU 37 H GLU 37 -9.132 4.982 -9.486 287 HA GLU 37 HA GLU 37 -9.544 3.625 -6.903 288 HB2 GLU 37 2HB GLU 37 -9.749 2.674 -9.630 289 HB3 GLU 37 3HB GLU 37 -8.566 1.739 -8.725 290 HG2 GLU 37 2HG GLU 37 -11.323 2.269 -7.672 291 HG3 GLU 37 3HG GLU 37 -10.960 0.903 -8.725 292 H ALA 38 H ALA 38 -7.406 5.524 -8.282 293 HA ALA 38 HA ALA 38 -4.998 3.954 -7.947 294 HB1 ALA 38 1HB ALA 38 -3.994 6.363 -8.304 295 HB2 ALA 38 2HB ALA 38 -4.667 5.443 -9.651 296 HB3 ALA 38 3HB ALA 38 -5.624 6.708 -8.881 297 HA PRO 39 HA PRO 39 -4.101 4.938 -3.764 298 HB2 PRO 39 2HB PRO 39 -1.396 5.160 -3.827 299 HB3 PRO 39 3HB PRO 39 -2.237 3.612 -3.971 300 HG2 PRO 39 2HG PRO 39 -1.080 5.346 -6.119 301 HG3 PRO 39 3HG PRO 39 -0.996 3.584 -5.937 302 HD2 PRO 39 2HD PRO 39 -2.734 4.793 -7.625 303 HD3 PRO 39 3HD PRO 39 -3.111 3.269 -6.798 304 H LEU 40 H LEU 40 -3.412 6.599 -2.333 305 HA LEU 40 HA LEU 40 -3.785 9.224 -3.312 306 HB2 LEU 40 2HB LEU 40 -4.415 8.664 -1.066 307 HB3 LEU 40 3HB LEU 40 -2.761 8.203 -0.670 308 HG LEU 40 HG LEU 40 -2.284 10.732 -1.272 309 HD11 LEU 40 1HD1 LEU 40 -4.033 12.088 -1.439 310 HD12 LEU 40 2HD1 LEU 40 -4.751 11.441 0.035 311 HD13 LEU 40 3HD1 LEU 40 -5.059 10.655 -1.513 312 HD21 LEU 40 1HD2 LEU 40 -1.655 10.440 0.847 313 HD22 LEU 40 2HD2 LEU 40 -2.955 9.292 1.163 314 HD23 LEU 40 3HD2 LEU 40 -3.259 11.025 1.290 315 H THR 41 H THR 41 -0.964 7.270 -2.760 316 HA THR 41 HA THR 41 1.053 9.118 -2.501 317 HB THR 41 HB THR 41 1.528 6.866 -4.397 318 HG1 THR 41 HG1 THR 41 1.672 5.597 -2.270 319 HG21 THR 41 1HG2 THR 41 3.117 7.203 -1.942 320 HG22 THR 41 2HG2 THR 41 3.161 8.569 -3.057 321 HG23 THR 41 3HG2 THR 41 3.641 6.965 -3.609 322 H ALA 42 H ALA 42 -0.792 8.300 -5.358 323 HA ALA 42 HA ALA 42 0.853 9.429 -7.321 324 HB1 ALA 42 1HB ALA 42 -0.902 8.085 -8.089 325 HB2 ALA 42 2HB ALA 42 -2.110 8.981 -7.168 326 HB3 ALA 42 3HB ALA 42 -1.352 9.719 -8.579 327 H ALA 43 H ALA 43 -1.729 10.879 -5.365 328 HA ALA 43 HA ALA 43 -1.444 13.466 -6.571 329 HB1 ALA 43 1HB ALA 43 -2.995 12.401 -4.239 330 HB2 ALA 43 2HB ALA 43 -2.894 14.134 -4.550 331 HB3 ALA 43 3HB ALA 43 -3.588 13.060 -5.764 332 H LEU 44 H LEU 44 -0.058 11.806 -3.847 333 HA LEU 44 HA LEU 44 0.793 13.867 -2.232 334 HB2 LEU 44 2HB LEU 44 1.131 11.243 -2.156 335 HB3 LEU 44 3HB LEU 44 2.710 11.669 -2.812 336 HG LEU 44 HG LEU 44 2.665 13.341 -0.730 337 HD11 LEU 44 1HD1 LEU 44 0.360 11.860 -0.289 338 HD12 LEU 44 2HD1 LEU 44 1.206 12.874 0.879 339 HD13 LEU 44 3HD1 LEU 44 1.557 11.148 0.793 340 HD21 LEU 44 1HD2 LEU 44 3.695 10.660 -1.234 341 HD22 LEU 44 2HD2 LEU 44 3.545 11.042 0.481 342 HD23 LEU 44 3HD2 LEU 44 4.504 12.081 -0.574 343 H ARG 45 H ARG 45 2.000 12.897 -5.355 344 HA ARG 45 HA ARG 45 4.511 14.030 -5.407 345 HB2 ARG 45 2HB ARG 45 2.406 13.576 -7.471 346 HB3 ARG 45 3HB ARG 45 3.791 14.569 -7.902 347 HG2 ARG 45 2HG ARG 45 5.290 12.811 -7.651 348 HG3 ARG 45 3HG ARG 45 4.166 11.869 -6.670 349 HD2 ARG 45 2HD ARG 45 2.828 11.337 -8.547 350 HD3 ARG 45 3HD ARG 45 3.632 12.543 -9.551 351 HE ARG 45 HE ARG 45 5.428 10.534 -8.594 352 HH11 ARG 45 1HH1 ARG 45 3.055 11.273 -11.031 353 HH12 ARG 45 2HH1 ARG 45 3.704 10.157 -12.187 354 HH21 ARG 45 1HH2 ARG 45 6.293 9.062 -10.108 355 HH22 ARG 45 2HH2 ARG 45 5.545 8.900 -11.661 356 H PHE 46 H PHE 46 1.469 15.631 -6.364 357 HA PHE 46 HA PHE 46 2.786 18.215 -6.366 358 HB2 PHE 46 2HB PHE 46 0.023 17.267 -7.086 359 HB3 PHE 46 3HB PHE 46 0.382 18.983 -6.928 360 HD1 PHE 46 HD1 PHE 46 0.451 16.152 -9.074 361 HD2 PHE 46 HD2 PHE 46 2.297 19.917 -8.346 362 HE1 PHE 46 HE1 PHE 46 1.294 16.182 -11.385 363 HE2 PHE 46 HE2 PHE 46 3.142 19.954 -10.656 364 HZ PHE 46 HZ PHE 46 2.640 18.085 -12.180 365 H ALA 47 H ALA 47 0.599 16.371 -4.365 366 HA ALA 47 HA ALA 47 -0.389 18.430 -2.738 367 HB1 ALA 47 1HB ALA 47 -0.266 15.510 -2.635 368 HB2 ALA 47 2HB ALA 47 -0.290 16.286 -1.051 369 HB3 ALA 47 3HB ALA 47 -1.579 16.609 -2.211 370 H ALA 48 H ALA 48 2.643 16.686 -2.699 371 HA ALA 48 HA ALA 48 3.526 17.284 -0.121 372 HB1 ALA 48 1HB ALA 48 4.786 16.477 -2.655 373 HB2 ALA 48 2HB ALA 48 5.846 17.282 -1.497 374 HB3 ALA 48 3HB ALA 48 4.976 15.820 -1.029 375 H GLU 49 H GLU 49 3.314 19.271 -2.964 376 HA GLU 49 HA GLU 49 5.066 21.328 -1.962 377 HB2 GLU 49 2HB GLU 49 3.084 21.546 -4.228 378 HB3 GLU 49 3HB GLU 49 4.498 22.551 -3.945 379 HG2 GLU 49 2HG GLU 49 4.366 19.728 -4.921 380 HG3 GLU 49 3HG GLU 49 5.139 21.126 -5.665 381 H GLU 50 H GLU 50 1.608 20.719 -2.082 382 HA GLU 50 HA GLU 50 0.685 23.259 -1.361 383 HB2 GLU 50 2HB GLU 50 -0.789 21.473 -2.174 384 HB3 GLU 50 3HB GLU 50 -0.506 20.561 -0.698 385 HG2 GLU 50 2HG GLU 50 -2.664 21.737 -0.709 386 HG3 GLU 50 3HG GLU 50 -1.615 22.235 0.616 387 H PHE 51 H PHE 51 2.100 20.704 0.533 388 HA PHE 51 HA PHE 51 1.567 22.214 2.999 389 HB2 PHE 51 2HB PHE 51 1.320 19.488 2.441 390 HB3 PHE 51 3HB PHE 51 2.789 19.613 3.403 391 HD1 PHE 51 HD1 PHE 51 2.523 21.245 5.506 392 HD2 PHE 51 HD2 PHE 51 -0.645 19.165 3.568 393 HE1 PHE 51 HE1 PHE 51 1.169 21.404 7.555 394 HE2 PHE 51 HE2 PHE 51 -2.004 19.322 5.612 395 HZ PHE 51 HZ PHE 51 -1.098 20.443 7.609 396 H GLY 52 H GLY 52 4.027 21.229 0.810 397 HA2 GLY 52 2HA GLY 52 6.266 21.737 0.712 398 HA3 GLY 52 3HA GLY 52 5.974 22.903 1.993 399 H ILE 53 H ILE 53 5.085 19.646 2.627 400 HA ILE 53 HA ILE 53 7.636 19.013 3.885 401 HB ILE 53 HB ILE 53 6.671 18.534 6.054 402 HG12 ILE 53 2HG1 ILE 53 4.093 19.640 4.919 403 HG13 ILE 53 3HG1 ILE 53 4.401 17.949 5.296 404 HG21 ILE 53 1HG2 ILE 53 6.409 20.752 6.850 405 HG22 ILE 53 2HG2 ILE 53 7.515 20.834 5.480 406 HG23 ILE 53 3HG2 ILE 53 5.831 21.318 5.283 407 HD11 ILE 53 1HD1 ILE 53 4.285 20.230 7.253 408 HD12 ILE 53 2HD1 ILE 53 3.090 18.950 7.041 409 HD13 ILE 53 3HD1 ILE 53 4.694 18.564 7.661 410 H ALA 54 H ALA 54 7.102 16.802 5.248 411 HA ALA 54 HA ALA 54 5.333 15.060 3.747 412 HB1 ALA 54 1HB ALA 54 8.258 14.364 3.880 413 HB2 ALA 54 2HB ALA 54 6.982 13.540 2.982 414 HB3 ALA 54 3HB ALA 54 7.514 15.146 2.485 415 H SER 55 H SER 55 4.386 15.092 5.908 416 HA SER 55 HA SER 55 4.971 12.792 7.384 417 HB2 SER 55 2HB SER 55 6.575 15.084 8.105 418 HB3 SER 55 3HB SER 55 5.543 14.609 9.453 419 HG SER 55 HG SER 55 7.640 13.245 8.244 420 H VAL 56 H VAL 56 4.133 16.036 8.580 421 HA VAL 56 HA VAL 56 1.881 15.193 10.019 422 HB VAL 56 HB VAL 56 2.293 17.963 8.896 423 HG11 VAL 56 1HG1 VAL 56 1.239 18.293 11.351 424 HG12 VAL 56 2HG1 VAL 56 0.271 18.165 9.881 425 HG13 VAL 56 3HG1 VAL 56 0.510 16.750 10.907 426 HG21 VAL 56 1HG2 VAL 56 4.242 17.919 10.009 427 HG22 VAL 56 2HG2 VAL 56 3.236 18.063 11.451 428 HG23 VAL 56 3HG2 VAL 56 3.800 16.477 10.924 429 H ASP 57 H ASP 57 2.310 15.763 6.672 430 HA ASP 57 HA ASP 57 -0.304 16.509 5.935 431 HB2 ASP 57 2HB ASP 57 1.477 16.784 4.352 432 HB3 ASP 57 3HB ASP 57 1.869 15.067 4.412 433 H SER 58 H SER 58 0.995 13.535 7.018 434 HA SER 58 HA SER 58 -0.680 11.690 5.743 435 HB2 SER 58 2HB SER 58 0.925 11.704 8.255 436 HB3 SER 58 3HB SER 58 -0.282 10.433 8.061 437 HG SER 58 HG SER 58 0.807 9.625 6.387 438 H MET 59 H MET 59 -1.238 13.846 8.424 439 HA MET 59 HA MET 59 -4.071 13.283 8.312 440 HB2 MET 59 2HB MET 59 -2.391 12.601 10.707 441 HB3 MET 59 3HB MET 59 -4.082 13.044 10.893 442 HG2 MET 59 2HG MET 59 -4.311 11.186 8.974 443 HG3 MET 59 3HG MET 59 -2.870 10.594 9.797 444 HE1 MET 59 1HE MET 59 -6.240 8.699 10.523 445 HE2 MET 59 2HE MET 59 -4.868 8.871 9.429 446 HE3 MET 59 3HE MET 59 -4.651 8.102 11.002 447 H ALA 60 H ALA 60 -3.573 15.531 7.476 448 HA ALA 60 HA ALA 60 -3.954 17.419 9.680 449 HB1 ALA 60 1HB ALA 60 -2.420 18.950 8.080 450 HB2 ALA 60 2HB ALA 60 -1.797 18.036 9.454 451 HB3 ALA 60 3HB ALA 60 -1.667 17.376 7.823 452 H ALA 61 H ALA 61 -6.156 17.045 8.726 453 HA ALA 61 HA ALA 61 -6.823 19.249 7.031 454 HB1 ALA 61 1HB ALA 61 -6.101 17.700 5.304 455 HB2 ALA 61 2HB ALA 61 -7.207 16.471 5.921 456 HB3 ALA 61 3HB ALA 61 -7.844 17.955 5.214 457 H THR 62 H THR 62 -9.098 19.612 6.890 458 HA THR 62 HA THR 62 -10.784 17.875 8.544 459 HB THR 62 HB THR 62 -11.820 20.029 9.499 460 HG1 THR 62 HG1 THR 62 -10.225 21.743 9.653 461 HG21 THR 62 1HG2 THR 62 -9.029 19.287 10.383 462 HG22 THR 62 2HG2 THR 62 -10.490 18.393 10.801 463 HG23 THR 62 3HG2 THR 62 -10.278 20.050 11.366 464 H THR 63 H THR 63 -12.933 17.821 7.966 465 HA THR 63 HA THR 63 -13.541 18.788 5.313 466 HB THR 63 HB THR 63 -15.563 17.445 7.073 467 HG1 THR 63 HG1 THR 63 -14.564 15.542 6.897 468 HG21 THR 63 1HG2 THR 63 -15.977 16.308 4.793 469 HG22 THR 63 2HG2 THR 63 -14.974 17.600 4.135 470 HG23 THR 63 3HG2 THR 63 -16.465 17.990 4.990 471 H LYS 64 H LYS 64 -15.634 19.864 4.859 472 HA LYS 64 HA LYS 64 -15.854 22.287 6.267 473 HB2 LYS 64 2HB LYS 64 -17.986 21.103 4.492 474 HB3 LYS 64 3HB LYS 64 -17.677 22.804 4.812 475 HG2 LYS 64 2HG LYS 64 -15.295 21.726 3.763 476 HG3 LYS 64 3HG LYS 64 -16.620 21.141 2.754 477 HD2 LYS 64 2HD LYS 64 -15.801 23.238 1.877 478 HD3 LYS 64 3HD LYS 64 -17.426 23.467 2.527 479 HE2 LYS 64 2HE LYS 64 -15.613 23.940 4.638 480 HE3 LYS 64 3HE LYS 64 -14.997 24.802 3.229 481 HZ1 LYS 64 1HZ LYS 64 -16.932 25.698 4.898 482 HZ2 LYS 64 2HZ LYS 64 -17.830 25.099 3.596 483 HZ3 LYS 64 3HZ LYS 64 -16.646 26.278 3.334 484 H ASP 65 H ASP 65 -17.386 19.211 6.694 485 HA ASP 65 HA ASP 65 -19.576 20.176 8.274 486 HB2 ASP 65 2HB ASP 65 -19.028 17.811 6.986 487 HB3 ASP 65 3HB ASP 65 -18.789 17.378 8.676 488 H GLY 66 H GLY 66 -16.277 19.375 8.861 489 HA2 GLY 66 2HA GLY 66 -15.630 20.469 11.098 490 HA3 GLY 66 3HA GLY 66 -16.753 19.294 11.766 491 H THR 67 H THR 67 -16.277 16.980 11.226 492 HA THR 67 HA THR 67 -13.498 16.462 11.809 493 HB THR 67 HB THR 67 -14.453 13.991 11.578 494 HG1 THR 67 HG1 THR 67 -16.646 13.906 11.938 495 HG21 THR 67 1HG2 THR 67 -14.032 15.805 13.674 496 HG22 THR 67 2HG2 THR 67 -14.173 14.051 13.789 497 HG23 THR 67 3HG2 THR 67 -15.601 15.065 13.990 498 H GLY 68 H GLY 68 -11.977 16.075 10.343 499 HA2 GLY 68 2HA GLY 68 -12.778 14.869 7.773 500 HA3 GLY 68 3HA GLY 68 -11.740 16.287 7.807 501 H ILE 69 H ILE 69 -11.900 13.059 9.317 502 HA ILE 69 HA ILE 69 -9.027 12.914 9.493 503 HB ILE 69 HB ILE 69 -11.124 10.808 10.035 504 HG12 ILE 69 2HG1 ILE 69 -11.268 12.749 11.535 505 HG13 ILE 69 3HG1 ILE 69 -10.706 11.321 12.397 506 HG21 ILE 69 1HG2 ILE 69 -9.377 9.410 9.925 507 HG22 ILE 69 2HG2 ILE 69 -8.201 10.723 9.985 508 HG23 ILE 69 3HG2 ILE 69 -8.915 10.111 11.476 509 HD11 ILE 69 1HD1 ILE 69 -9.042 13.640 11.452 510 HD12 ILE 69 2HD1 ILE 69 -9.439 13.212 13.117 511 HD13 ILE 69 3HD1 ILE 69 -8.388 12.165 12.164 512 H ASN 70 H ASN 70 -7.647 11.890 8.158 513 HA ASN 70 HA ASN 70 -8.795 10.599 5.775 514 HB2 ASN 70 2HB ASN 70 -5.953 11.532 5.884 515 HB3 ASN 70 3HB ASN 70 -7.037 11.412 4.501 516 HD21 ASN 70 1HD2 ASN 70 -6.220 13.277 7.344 517 HD22 ASN 70 2HD2 ASN 70 -6.974 14.745 6.832 518 HA PRO 71 HA PRO 71 -6.850 7.137 8.106 519 HB2 PRO 71 2HB PRO 71 -8.707 5.307 7.349 520 HB3 PRO 71 3HB PRO 71 -8.927 6.381 8.735 521 HG2 PRO 71 2HG PRO 71 -10.005 6.632 5.954 522 HG3 PRO 71 3HG PRO 71 -10.823 6.918 7.501 523 HD2 PRO 71 2HD PRO 71 -9.854 8.932 5.972 524 HD3 PRO 71 3HD PRO 71 -9.902 9.016 7.745 525 H ALA 72 H ALA 72 -8.398 6.866 4.900 526 HA ALA 72 HA ALA 72 -6.083 5.280 4.006 527 HB1 ALA 72 1HB ALA 72 -8.654 5.377 2.490 528 HB2 ALA 72 2HB ALA 72 -7.442 4.097 2.567 529 HB3 ALA 72 3HB ALA 72 -8.523 4.372 3.933 530 H GLN 73 H GLN 73 -7.995 8.126 3.417 531 HA GLN 73 HA GLN 73 -7.766 9.884 1.992 532 HB2 GLN 73 2HB GLN 73 -4.913 9.102 1.515 533 HB3 GLN 73 3HB GLN 73 -5.611 10.708 1.679 534 HG2 GLN 73 2HG GLN 73 -6.124 9.681 4.127 535 HG3 GLN 73 3HG GLN 73 -4.619 8.857 3.726 536 HE21 GLN 73 1HE2 GLN 73 -3.045 9.862 4.755 537 HE22 GLN 73 2HE2 GLN 73 -2.790 11.570 4.798 538 H THR 74 H THR 74 -8.301 7.106 0.941 539 HA THR 74 HA THR 74 -7.142 7.060 -1.692 540 HB THR 74 HB THR 74 -9.565 5.453 -0.982 541 HG1 THR 74 HG1 THR 74 -6.951 5.151 0.083 542 HG21 THR 74 1HG2 THR 74 -7.633 3.839 -2.122 543 HG22 THR 74 2HG2 THR 74 -7.405 5.388 -2.934 544 HG23 THR 74 3HG2 THR 74 -8.981 4.598 -2.968 545 H ALA 75 H ALA 75 -8.481 7.017 -3.662 546 HA ALA 75 HA ALA 75 -10.014 9.356 -3.928 547 HB1 ALA 75 1HB ALA 75 -9.360 8.903 -6.008 548 HB2 ALA 75 2HB ALA 75 -9.124 7.192 -5.646 549 HB3 ALA 75 3HB ALA 75 -10.725 7.788 -6.086 550 H GLY 76 H GLY 76 -10.966 5.952 -3.627 551 HA2 GLY 76 2HA GLY 76 -13.742 6.379 -3.991 552 HA3 GLY 76 3HA GLY 76 -13.007 4.973 -3.235 553 H ASN 77 H ASN 77 -11.693 6.351 -1.115 554 HA ASN 77 HA ASN 77 -13.860 6.508 0.732 555 HB2 ASN 77 2HB ASN 77 -10.901 6.664 0.869 556 HB3 ASN 77 3HB ASN 77 -11.786 7.451 2.172 557 HD21 ASN 77 1HD2 ASN 77 -10.867 4.469 0.735 558 HD22 ASN 77 2HD2 ASN 77 -11.533 3.430 1.944 559 H VAL 78 H VAL 78 -11.388 8.919 -0.177 560 HA VAL 78 HA VAL 78 -12.506 11.109 1.096 561 HB VAL 78 HB VAL 78 -11.220 12.518 -0.385 562 HG11 VAL 78 1HG1 VAL 78 -10.164 10.311 1.050 563 HG12 VAL 78 2HG1 VAL 78 -9.176 10.545 -0.394 564 HG13 VAL 78 3HG1 VAL 78 -9.416 11.877 0.737 565 HG21 VAL 78 1HG2 VAL 78 -9.919 11.184 -2.248 566 HG22 VAL 78 2HG2 VAL 78 -11.337 10.138 -2.169 567 HG23 VAL 78 3HG2 VAL 78 -11.524 11.849 -2.554 568 H PHE 79 H PHE 79 -13.445 9.555 -1.866 569 HA PHE 79 HA PHE 79 -14.859 11.568 -3.143 570 HB2 PHE 79 2HB PHE 79 -14.523 9.480 -4.263 571 HB3 PHE 79 3HB PHE 79 -15.375 8.597 -3.001 572 HD1 PHE 79 HD1 PHE 79 -15.753 10.847 -5.875 573 HD2 PHE 79 HD2 PHE 79 -17.762 8.488 -2.956 574 HE1 PHE 79 HE1 PHE 79 -17.847 11.063 -7.148 575 HE2 PHE 79 HE2 PHE 79 -19.859 8.700 -4.225 576 HZ PHE 79 HZ PHE 79 -19.904 9.988 -6.323 577 H MET 80 H MET 80 -16.007 9.281 -0.676 578 HA MET 80 HA MET 80 -18.509 10.776 -0.456 579 HB2 MET 80 2HB MET 80 -18.112 8.122 -0.457 580 HB3 MET 80 3HB MET 80 -17.986 8.419 1.271 581 HG2 MET 80 2HG MET 80 -20.178 9.168 1.431 582 HG3 MET 80 3HG MET 80 -20.297 9.481 -0.299 583 HE1 MET 80 1HE MET 80 -22.705 6.962 -0.946 584 HE2 MET 80 2HE MET 80 -22.022 8.578 -1.127 585 HE3 MET 80 3HE MET 80 -21.363 7.232 -2.058 586 H LYS 81 H LYS 81 -15.481 10.438 1.087 587 HA LYS 81 HA LYS 81 -16.257 11.130 3.735 588 HB2 LYS 81 2HB LYS 81 -14.025 10.092 2.791 589 HB3 LYS 81 3HB LYS 81 -13.540 11.778 2.666 590 HG2 LYS 81 2HG LYS 81 -12.744 10.967 4.744 591 HG3 LYS 81 3HG LYS 81 -14.111 12.029 5.091 592 HD2 LYS 81 2HD LYS 81 -14.272 10.046 6.457 593 HD3 LYS 81 3HD LYS 81 -15.566 10.031 5.256 594 HE2 LYS 81 2HE LYS 81 -14.676 8.266 4.122 595 HE3 LYS 81 3HE LYS 81 -13.017 8.694 4.539 596 HZ1 LYS 81 1HZ LYS 81 -13.282 7.783 6.692 597 HZ2 LYS 81 2HZ LYS 81 -13.884 6.630 5.611 598 HZ3 LYS 81 3HZ LYS 81 -14.952 7.596 6.499 599 H TYR 82 H TYR 82 -14.643 13.033 1.184 600 HA TYR 82 HA TYR 82 -15.732 15.460 2.452 601 HB2 TYR 82 2HB TYR 82 -13.284 15.432 0.702 602 HB3 TYR 82 3HB TYR 82 -13.799 16.665 1.847 603 HD1 TYR 82 HD1 TYR 82 -14.364 15.031 4.242 604 HD2 TYR 82 HD2 TYR 82 -11.166 14.797 1.444 605 HE1 TYR 82 HE1 TYR 82 -12.932 14.026 5.971 606 HE2 TYR 82 HE2 TYR 82 -9.726 13.791 3.166 607 HH TYR 82 HH TYR 82 -10.966 13.082 6.414 608 H GLY 83 H GLY 83 -15.312 13.642 -0.480 609 HA2 GLY 83 2HA GLY 83 -16.113 13.936 -2.614 610 HA3 GLY 83 3HA GLY 83 -17.474 14.713 -1.819 611 H GLN 84 H GLN 84 -14.134 15.388 -2.848 612 HA GLN 84 HA GLN 84 -13.145 17.290 -3.624 613 HB2 GLN 84 2HB GLN 84 -14.941 16.638 -5.401 614 HB3 GLN 84 3HB GLN 84 -15.779 18.072 -4.824 615 HG2 GLN 84 2HG GLN 84 -13.042 18.717 -5.311 616 HG3 GLN 84 3HG GLN 84 -13.714 17.907 -6.725 617 HE21 GLN 84 1HE2 GLN 84 -15.346 18.886 -7.885 618 HE22 GLN 84 2HE2 GLN 84 -15.786 20.541 -7.664 619 H GLU 85 H GLU 85 -13.606 17.722 -1.099 620 HA GLU 85 HA GLU 85 -13.914 20.507 -0.864 621 HB2 GLU 85 2HB GLU 85 -16.350 19.561 -1.135 622 HB3 GLU 85 3HB GLU 85 -16.154 19.122 0.557 623 HG2 GLU 85 2HG GLU 85 -17.086 21.172 0.810 624 HG3 GLU 85 3HG GLU 85 -15.386 21.637 0.758 625 H ILE 86 H ILE 86 -11.872 19.863 0.119 626 HA ILE 86 HA ILE 86 -12.229 19.303 2.973 627 HB ILE 86 HB ILE 86 -11.574 17.173 1.952 628 HG12 ILE 86 2HG1 ILE 86 -9.476 16.807 3.300 629 HG13 ILE 86 3HG1 ILE 86 -9.453 18.538 3.619 630 HG21 ILE 86 1HG2 ILE 86 -10.278 18.452 0.087 631 HG22 ILE 86 2HG2 ILE 86 -8.920 18.314 1.203 632 HG23 ILE 86 3HG2 ILE 86 -9.726 16.861 0.611 633 HD11 ILE 86 1HD1 ILE 86 -11.509 16.532 4.491 634 HD12 ILE 86 2HD1 ILE 86 -10.428 17.495 5.499 635 HD13 ILE 86 3HD1 ILE 86 -11.740 18.275 4.616 636 H ARG 87 H ARG 87 -10.871 20.412 4.309 637 HA ARG 87 HA ARG 87 -9.145 22.401 3.019 638 HB2 ARG 87 2HB ARG 87 -11.062 22.750 4.906 639 HB3 ARG 87 3HB ARG 87 -9.640 22.575 5.925 640 HG2 ARG 87 2HG ARG 87 -9.314 24.398 3.648 641 HG3 ARG 87 3HG ARG 87 -10.487 24.909 4.863 642 HD2 ARG 87 2HD ARG 87 -8.615 24.306 6.554 643 HD3 ARG 87 3HD ARG 87 -7.550 24.417 5.154 644 HE ARG 87 HE ARG 87 -8.914 26.736 5.041 645 HH11 ARG 87 1HH1 ARG 87 -7.181 25.137 7.602 646 HH12 ARG 87 2HH1 ARG 87 -6.726 26.610 8.391 647 HH21 ARG 87 1HH2 ARG 87 -8.321 28.683 6.071 648 HH22 ARG 87 2HH2 ARG 87 -7.376 28.627 7.520 649 H LEU 88 H LEU 88 -7.012 22.724 3.657 650 HA LEU 88 HA LEU 88 -5.782 20.406 4.965 651 HB2 LEU 88 2HB LEU 88 -5.149 21.781 2.648 652 HB3 LEU 88 3HB LEU 88 -3.961 22.355 3.817 653 HG LEU 88 HG LEU 88 -3.222 20.067 4.213 654 HD11 LEU 88 1HD1 LEU 88 -4.068 18.278 2.670 655 HD12 LEU 88 2HD1 LEU 88 -5.382 19.370 2.237 656 HD13 LEU 88 3HD1 LEU 88 -5.212 18.812 3.901 657 HD21 LEU 88 1HD2 LEU 88 -3.133 21.369 1.587 658 HD22 LEU 88 2HD2 LEU 88 -2.737 19.650 1.569 659 HD23 LEU 88 3HD2 LEU 88 -1.825 20.755 2.598 660 H ILE 89 H ILE 89 -5.452 20.643 7.072 661 HA ILE 89 HA ILE 89 -4.295 23.173 8.025 662 HB ILE 89 HB ILE 89 -6.676 23.133 8.644 663 HG12 ILE 89 2HG1 ILE 89 -4.765 22.750 10.959 664 HG13 ILE 89 3HG1 ILE 89 -5.090 24.261 10.117 665 HG21 ILE 89 1HG2 ILE 89 -6.015 20.689 10.277 666 HG22 ILE 89 2HG2 ILE 89 -7.584 21.476 10.116 667 HG23 ILE 89 3HG2 ILE 89 -6.866 20.652 8.732 668 HD11 ILE 89 1HD1 ILE 89 -6.417 24.533 11.938 669 HD12 ILE 89 2HD1 ILE 89 -7.563 23.729 10.864 670 HD13 ILE 89 3HD1 ILE 89 -6.726 22.805 12.112 671 HA PRO 90 HA PRO 90 -1.256 20.431 9.708 672 HB2 PRO 90 2HB PRO 90 0.030 22.256 11.252 673 HB3 PRO 90 3HB PRO 90 0.209 22.187 9.495 674 HG2 PRO 90 2HG PRO 90 -1.508 23.992 11.156 675 HG3 PRO 90 3HG PRO 90 -0.509 24.385 9.744 676 HD2 PRO 90 2HD PRO 90 -3.190 24.042 9.581 677 HD3 PRO 90 3HD PRO 90 -2.091 23.618 8.254 678 H ARG 91 H ARG 91 -2.507 19.067 11.004 679 HA ARG 91 HA ARG 91 -2.872 19.963 13.788 680 HB2 ARG 91 2HB ARG 91 -4.795 18.974 12.000 681 HB3 ARG 91 3HB ARG 91 -4.465 17.650 13.109 682 HG2 ARG 91 2HG ARG 91 -5.032 19.008 14.999 683 HG3 ARG 91 3HG ARG 91 -5.181 20.440 13.977 684 HD2 ARG 91 2HD ARG 91 -7.369 19.498 14.554 685 HD3 ARG 91 3HD ARG 91 -7.067 19.444 12.817 686 HE ARG 91 HE ARG 91 -6.256 17.009 13.628 687 HH11 ARG 91 1HH1 ARG 91 -9.171 18.830 14.186 688 HH12 ARG 91 2HH1 ARG 91 -10.177 17.426 14.322 689 HH21 ARG 91 1HH2 ARG 91 -7.570 15.153 13.805 690 HH22 ARG 91 2HH2 ARG 91 -9.265 15.335 14.106 691 H ASP 92 H ASP 92 -2.717 18.242 15.419 692 HA ASP 92 HA ASP 92 -1.617 16.541 16.455 693 HB2 ASP 92 2HB ASP 92 -2.709 15.361 14.311 694 HB3 ASP 92 3HB ASP 92 -1.010 15.120 13.916 695 H ARG 93 H ARG 93 -0.175 18.848 15.537 696 HA ARG 93 HA ARG 93 2.450 18.060 16.075 697 HB2 ARG 93 2HB ARG 93 1.701 17.654 13.357 698 HB3 ARG 93 3HB ARG 93 2.836 18.996 13.411 699 HG2 ARG 93 2HG ARG 93 4.509 17.564 13.580 700 HG3 ARG 93 3HG ARG 93 3.844 16.966 15.101 701 HD2 ARG 93 2HD ARG 93 2.846 15.164 14.115 702 HD3 ARG 93 3HD ARG 93 2.624 15.993 12.575 703 HE ARG 93 HE ARG 93 5.360 15.626 12.956 704 HH11 ARG 93 1HH1 ARG 93 2.497 13.705 12.472 705 HH12 ARG 93 2HH1 ARG 93 3.340 12.411 11.687 706 HH21 ARG 93 1HH2 ARG 93 6.481 13.928 11.925 707 HH22 ARG 93 2HH2 ARG 93 5.606 12.538 11.377 708 H VAL 94 H VAL 94 0.331 20.376 14.496 709 HA VAL 94 HA VAL 94 2.027 22.554 15.533 710 HB VAL 94 HB VAL 94 0.122 22.730 13.197 711 HG11 VAL 94 1HG1 VAL 94 1.652 24.813 12.825 712 HG12 VAL 94 2HG1 VAL 94 0.317 24.890 13.976 713 HG13 VAL 94 3HG1 VAL 94 1.967 24.646 14.552 714 HG21 VAL 94 1HG2 VAL 94 1.741 21.473 12.214 715 HG22 VAL 94 2HG2 VAL 94 2.506 23.054 12.050 716 HG23 VAL 94 3HG2 VAL 94 2.984 21.975 13.361 717 H GLY 95 H GLY 95 -1.356 22.123 14.467 718 HA2 GLY 95 2HA GLY 95 -2.435 22.691 17.042 719 HA3 GLY 95 3HA GLY 95 -2.487 24.116 16.015 Start of MODEL 5 1 H1 MET 1 H MET 1 2.398 4.625 0.448 2 HA MET 1 HA MET 1 3.203 5.993 2.859 3 HB2 MET 1 2HB MET 1 1.652 3.512 2.941 4 HB3 MET 1 3HB MET 1 3.170 3.411 3.823 5 HG2 MET 1 2HG MET 1 2.089 5.855 4.573 6 HG3 MET 1 3HG MET 1 0.715 4.753 4.519 7 HE1 MET 1 1HE MET 1 1.073 2.298 5.284 8 HE2 MET 1 2HE MET 1 2.778 1.909 5.513 9 HE3 MET 1 3HE MET 1 1.686 1.935 6.898 10 H SER 2 H SER 2 5.079 6.317 1.568 11 HA SER 2 HA SER 2 7.206 5.875 0.891 12 HB2 SER 2 2HB SER 2 6.909 4.558 3.281 13 HB3 SER 2 3HB SER 2 7.452 3.262 2.215 14 HG SER 2 HG SER 2 9.363 4.076 2.473 15 H GLN 3 H GLN 3 4.902 4.819 -0.605 16 HA GLN 3 HA GLN 3 6.303 2.681 -2.066 17 HB2 GLN 3 2HB GLN 3 3.363 2.937 -1.451 18 HB3 GLN 3 3HB GLN 3 3.978 1.878 -2.713 19 HG2 GLN 3 2HG GLN 3 4.938 1.691 0.121 20 HG3 GLN 3 3HG GLN 3 3.494 0.849 -0.439 21 HE21 GLN 3 1HE2 GLN 3 3.748 -0.656 -2.214 22 HE22 GLN 3 2HE2 GLN 3 5.240 -1.508 -2.394 23 H ASN 4 H ASN 4 7.132 3.800 -3.747 24 HA ASN 4 HA ASN 4 5.692 5.906 -5.058 25 HB2 ASN 4 2HB ASN 4 8.380 4.828 -5.094 26 HB3 ASN 4 3HB ASN 4 7.793 5.107 -6.731 27 HD21 ASN 4 1HD2 ASN 4 9.577 6.460 -4.470 28 HD22 ASN 4 2HD2 ASN 4 9.236 8.134 -4.728 29 H GLU 5 H GLU 5 4.078 5.568 -6.424 30 HA GLU 5 HA GLU 5 4.289 3.959 -8.717 31 HB2 GLU 5 2HB GLU 5 4.048 2.078 -7.207 32 HB3 GLU 5 3HB GLU 5 2.619 2.800 -6.481 33 HG2 GLU 5 2HG GLU 5 1.422 2.574 -8.593 34 HG3 GLU 5 3HG GLU 5 2.855 1.860 -9.330 35 H GLU 6 H GLU 6 3.047 4.937 -10.165 36 HA GLU 6 HA GLU 6 0.913 6.696 -9.262 37 HB2 GLU 6 2HB GLU 6 2.595 7.470 -10.924 38 HB3 GLU 6 3HB GLU 6 1.988 6.267 -12.053 39 HG2 GLU 6 2HG GLU 6 -0.053 7.367 -12.316 40 HG3 GLU 6 3HG GLU 6 0.183 8.339 -10.864 41 H ALA 7 H ALA 7 -1.229 6.502 -9.811 42 HA ALA 7 HA ALA 7 -2.268 3.911 -10.160 43 HB1 ALA 7 1HB ALA 7 -4.107 4.919 -9.442 44 HB2 ALA 7 2HB ALA 7 -3.283 6.474 -9.560 45 HB3 ALA 7 3HB ALA 7 -4.206 5.858 -10.931 46 HA PRO 8 HA PRO 8 -2.454 3.274 -14.497 47 HB2 PRO 8 2HB PRO 8 -4.880 2.097 -14.812 48 HB3 PRO 8 3HB PRO 8 -3.505 1.277 -14.063 49 HG2 PRO 8 2HG PRO 8 -5.836 2.637 -12.766 50 HG3 PRO 8 3HG PRO 8 -5.069 1.093 -12.352 51 HD2 PRO 8 2HD PRO 8 -4.570 3.379 -10.989 52 HD3 PRO 8 3HD PRO 8 -3.347 2.111 -11.208 53 H ALA 9 H ALA 9 -5.542 4.546 -13.245 54 HA ALA 9 HA ALA 9 -6.970 6.136 -14.026 55 HB1 ALA 9 1HB ALA 9 -6.013 8.108 -14.557 56 HB2 ALA 9 2HB ALA 9 -4.529 7.269 -14.104 57 HB3 ALA 9 3HB ALA 9 -4.985 7.398 -15.803 58 H ARG 10 H ARG 10 -6.867 3.669 -15.430 59 HA ARG 10 HA ARG 10 -7.452 4.536 -18.184 60 HB2 ARG 10 2HB ARG 10 -6.015 2.231 -17.106 61 HB3 ARG 10 3HB ARG 10 -7.256 1.781 -18.268 62 HG2 ARG 10 2HG ARG 10 -5.666 4.029 -19.178 63 HG3 ARG 10 3HG ARG 10 -4.687 2.600 -18.842 64 HD2 ARG 10 2HD ARG 10 -7.211 2.366 -20.430 65 HD3 ARG 10 3HD ARG 10 -5.725 2.919 -21.201 66 HE ARG 10 HE ARG 10 -5.351 0.504 -19.722 67 HH11 ARG 10 1HH1 ARG 10 -6.490 1.811 -22.741 68 HH12 ARG 10 2HH1 ARG 10 -6.195 0.356 -23.633 69 HH21 ARG 10 1HH2 ARG 10 -4.957 -1.418 -20.885 70 HH22 ARG 10 2HH2 ARG 10 -5.324 -1.481 -22.576 71 H SER 11 H SER 11 -8.650 2.944 -15.349 72 HA SER 11 HA SER 11 -10.850 1.587 -16.439 73 HB2 SER 11 2HB SER 11 -9.929 2.372 -13.783 74 HB3 SER 11 3HB SER 11 -11.687 2.396 -13.920 75 HG SER 11 HG SER 11 -10.253 0.309 -13.494 76 H GLY 12 H GLY 12 -13.162 2.177 -16.085 77 HA2 GLY 12 2HA GLY 12 -13.673 4.742 -17.274 78 HA3 GLY 12 3HA GLY 12 -14.875 3.539 -16.829 79 H GLY 13 H GLY 13 -12.700 5.980 -15.435 80 HA2 GLY 13 2HA GLY 13 -14.708 7.239 -13.937 81 HA3 GLY 13 3HA GLY 13 -13.906 6.073 -12.894 82 H LYS 14 H LYS 14 -13.975 9.212 -13.548 83 HA LYS 14 HA LYS 14 -11.218 9.589 -12.667 84 HB2 LYS 14 2HB LYS 14 -12.415 10.925 -15.098 85 HB3 LYS 14 3HB LYS 14 -10.940 11.469 -14.310 86 HG2 LYS 14 2HG LYS 14 -9.882 9.326 -14.789 87 HG3 LYS 14 3HG LYS 14 -11.364 8.763 -15.564 88 HD2 LYS 14 2HD LYS 14 -9.766 9.509 -17.235 89 HD3 LYS 14 3HD LYS 14 -11.172 10.576 -17.213 90 HE2 LYS 14 2HE LYS 14 -9.992 12.336 -16.364 91 HE3 LYS 14 3HE LYS 14 -8.861 11.299 -15.496 92 HZ1 LYS 14 1HZ LYS 14 -8.202 10.687 -17.971 93 HZ2 LYS 14 2HZ LYS 14 -7.507 11.992 -17.150 94 HZ3 LYS 14 3HZ LYS 14 -8.766 12.258 -18.248 95 H VAL 15 H VAL 15 -11.003 11.185 -11.199 96 HA VAL 15 HA VAL 15 -13.109 13.201 -10.949 97 HB VAL 15 HB VAL 15 -12.162 11.613 -8.564 98 HG11 VAL 15 1HG1 VAL 15 -12.834 13.723 -7.817 99 HG12 VAL 15 2HG1 VAL 15 -14.168 13.807 -8.968 100 HG13 VAL 15 3HG1 VAL 15 -14.261 12.713 -7.587 101 HG21 VAL 15 1HG2 VAL 15 -14.537 11.258 -10.348 102 HG22 VAL 15 2HG2 VAL 15 -13.443 10.042 -9.690 103 HG23 VAL 15 3HG2 VAL 15 -14.629 10.820 -8.642 104 H THR 16 H THR 16 -12.473 15.098 -9.871 105 HA THR 16 HA THR 16 -9.611 15.308 -9.222 106 HB THR 16 HB THR 16 -9.726 16.282 -11.382 107 HG1 THR 16 HG1 THR 16 -8.636 17.917 -10.619 108 HG21 THR 16 1HG2 THR 16 -12.090 17.909 -10.439 109 HG22 THR 16 2HG2 THR 16 -12.189 16.493 -11.486 110 HG23 THR 16 3HG2 THR 16 -11.361 17.947 -12.044 111 H PHE 17 H PHE 17 -9.353 15.998 -7.211 112 HA PHE 17 HA PHE 17 -11.430 17.729 -6.039 113 HB2 PHE 17 2HB PHE 17 -11.401 15.635 -4.874 114 HB3 PHE 17 3HB PHE 17 -9.646 15.664 -4.745 115 HD1 PHE 17 HD1 PHE 17 -12.615 17.697 -3.767 116 HD2 PHE 17 HD2 PHE 17 -8.710 16.338 -2.759 117 HE1 PHE 17 HE1 PHE 17 -12.801 18.799 -1.575 118 HE2 PHE 17 HE2 PHE 17 -8.890 17.436 -0.565 119 HZ PHE 17 HZ PHE 17 -10.938 18.668 0.030 120 H ARG 18 H ARG 18 -10.848 19.624 -5.115 121 HA ARG 18 HA ARG 18 -8.048 20.425 -5.423 122 HB2 ARG 18 2HB ARG 18 -8.960 22.741 -5.084 123 HB3 ARG 18 3HB ARG 18 -9.569 21.912 -6.510 124 HG2 ARG 18 2HG ARG 18 -11.672 22.028 -5.799 125 HG3 ARG 18 3HG ARG 18 -11.241 21.471 -4.181 126 HD2 ARG 18 2HD ARG 18 -11.249 23.548 -3.358 127 HD3 ARG 18 3HD ARG 18 -10.311 24.171 -4.714 128 HE ARG 18 HE ARG 18 -13.003 23.669 -5.468 129 HH11 ARG 18 1HH1 ARG 18 -10.977 25.920 -3.751 130 HH12 ARG 18 2HH1 ARG 18 -12.024 27.272 -4.023 131 HH21 ARG 18 1HH2 ARG 18 -14.391 25.443 -5.834 132 HH22 ARG 18 2HH2 ARG 18 -13.967 27.000 -5.208 133 H ILE 19 H ILE 19 -6.760 20.488 -3.714 134 HA ILE 19 HA ILE 19 -7.979 20.776 -1.045 135 HB ILE 19 HB ILE 19 -6.957 18.566 -1.384 136 HG12 ILE 19 2HG1 ILE 19 -5.357 18.682 0.581 137 HG13 ILE 19 3HG1 ILE 19 -5.578 20.428 0.554 138 HG21 ILE 19 1HG2 ILE 19 -4.354 20.050 -1.709 139 HG22 ILE 19 2HG2 ILE 19 -4.589 18.303 -1.732 140 HG23 ILE 19 3HG2 ILE 19 -5.254 19.299 -3.026 141 HD11 ILE 19 1HD1 ILE 19 -8.154 19.461 0.572 142 HD12 ILE 19 2HD1 ILE 19 -7.284 18.353 1.633 143 HD13 ILE 19 3HD1 ILE 19 -7.260 20.086 1.957 144 H ILE 20 H ILE 20 -7.326 22.418 0.201 145 HA ILE 20 HA ILE 20 -4.995 23.982 -0.701 146 HB ILE 20 HB ILE 20 -7.460 24.976 0.734 147 HG12 ILE 20 2HG1 ILE 20 -6.482 25.447 -2.091 148 HG13 ILE 20 3HG1 ILE 20 -7.858 24.449 -1.634 149 HG21 ILE 20 1HG2 ILE 20 -5.897 27.076 -0.349 150 HG22 ILE 20 2HG2 ILE 20 -6.271 26.746 1.342 151 HG23 ILE 20 3HG2 ILE 20 -4.831 26.044 0.604 152 HD11 ILE 20 1HD1 ILE 20 -7.831 27.184 -2.245 153 HD12 ILE 20 2HD1 ILE 20 -9.188 26.211 -1.677 154 HD13 ILE 20 3HD1 ILE 20 -8.165 27.059 -0.518 155 H LEU 21 H LEU 21 -3.318 23.718 0.607 156 HA LEU 21 HA LEU 21 -3.775 23.114 3.436 157 HB2 LEU 21 2HB LEU 21 -2.321 21.576 2.317 158 HB3 LEU 21 3HB LEU 21 -1.335 22.894 1.685 159 HG LEU 21 HG LEU 21 -0.458 23.360 3.874 160 HD11 LEU 21 1HD1 LEU 21 -2.323 21.206 4.859 161 HD12 LEU 21 2HD1 LEU 21 -2.445 22.932 5.197 162 HD13 LEU 21 3HD1 LEU 21 -1.080 22.006 5.822 163 HD21 LEU 21 1HD2 LEU 21 1.039 21.797 3.379 164 HD22 LEU 21 2HD2 LEU 21 -0.178 20.819 2.558 165 HD23 LEU 21 3HD2 LEU 21 0.068 20.645 4.296 166 H THR 22 H THR 22 -3.720 24.730 4.835 167 HA THR 22 HA THR 22 -2.866 27.341 4.206 168 HB THR 22 HB THR 22 -4.517 27.043 5.925 169 HG1 THR 22 HG1 THR 22 -3.088 28.820 6.216 170 HG21 THR 22 1HG2 THR 22 -4.218 25.038 6.992 171 HG22 THR 22 2HG2 THR 22 -3.521 26.117 8.200 172 HG23 THR 22 3HG2 THR 22 -2.469 25.231 7.097 173 H SER 23 H SER 23 -1.140 24.573 5.225 174 HA SER 23 HA SER 23 1.049 25.990 6.450 175 HB2 SER 23 2HB SER 23 0.297 23.578 6.950 176 HB3 SER 23 3HB SER 23 1.147 23.142 5.468 177 HG SER 23 HG SER 23 3.035 23.623 6.384 178 H GLU 24 H GLU 24 0.094 25.251 3.274 179 HA GLU 24 HA GLU 24 2.828 25.648 2.264 180 HB2 GLU 24 2HB GLU 24 1.605 23.574 1.561 181 HB3 GLU 24 3HB GLU 24 0.434 24.602 0.747 182 HG2 GLU 24 2HG GLU 24 1.709 24.588 -1.053 183 HG3 GLU 24 3HG GLU 24 2.972 25.418 -0.146 184 H ARG 25 H ARG 25 2.259 27.965 2.949 185 HA ARG 25 HA ARG 25 0.409 29.492 1.481 186 HB2 ARG 25 2HB ARG 25 1.363 30.293 3.573 187 HB3 ARG 25 3HB ARG 25 2.966 30.338 2.851 188 HG2 ARG 25 2HG ARG 25 2.387 32.149 1.447 189 HG3 ARG 25 3HG ARG 25 0.670 31.975 1.817 190 HD2 ARG 25 2HD ARG 25 2.755 32.659 3.880 191 HD3 ARG 25 3HD ARG 25 1.847 33.873 2.979 192 HE ARG 25 HE ARG 25 -0.072 32.266 4.050 193 HH11 ARG 25 1HH1 ARG 25 2.613 34.063 5.346 194 HH12 ARG 25 2HH1 ARG 25 1.852 34.348 6.876 195 HH21 ARG 25 1HH2 ARG 25 -1.085 32.635 6.060 196 HH22 ARG 25 2HH2 ARG 25 -0.251 33.535 7.281 197 H SER 26 H SER 26 3.397 28.134 0.589 198 HA SER 26 HA SER 26 4.385 29.979 -1.256 199 HB2 SER 26 2HB SER 26 4.676 27.176 -2.081 200 HB3 SER 26 3HB SER 26 5.913 28.377 -1.709 201 HG SER 26 HG SER 26 4.960 26.385 -0.167 202 H GLN 27 H GLN 27 1.812 27.617 -1.528 203 HA GLN 27 HA GLN 27 0.574 28.927 -3.680 204 HB2 GLN 27 2HB GLN 27 2.685 27.715 -4.699 205 HB3 GLN 27 3HB GLN 27 1.643 26.301 -4.621 206 HG2 GLN 27 2HG GLN 27 0.718 26.902 -6.531 207 HG3 GLN 27 3HG GLN 27 0.116 28.370 -5.763 208 HE21 GLN 27 1HE2 GLN 27 1.078 30.297 -6.194 209 HE22 GLN 27 2HE2 GLN 27 2.340 30.502 -7.355 210 HA PRO 28 HA PRO 28 -1.854 25.800 -1.208 211 HB2 PRO 28 2HB PRO 28 -3.702 27.573 -0.306 212 HB3 PRO 28 3HB PRO 28 -2.179 27.261 0.536 213 HG2 PRO 28 2HG PRO 28 -2.900 29.507 -1.309 214 HG3 PRO 28 3HG PRO 28 -2.007 29.559 0.223 215 HD2 PRO 28 2HD PRO 28 -0.773 29.631 -2.186 216 HD3 PRO 28 3HD PRO 28 -0.036 28.877 -0.757 217 H PHE 29 H PHE 29 -2.248 25.173 -3.515 218 HA PHE 29 HA PHE 29 -4.999 25.260 -4.102 219 HB2 PHE 29 2HB PHE 29 -4.156 27.595 -4.834 220 HB3 PHE 29 3HB PHE 29 -3.400 26.740 -6.174 221 HD1 PHE 29 HD1 PHE 29 -6.706 27.000 -4.466 222 HD2 PHE 29 HD2 PHE 29 -4.586 26.530 -8.127 223 HE1 PHE 29 HE1 PHE 29 -8.832 27.073 -5.703 224 HE2 PHE 29 HE2 PHE 29 -6.708 26.603 -9.370 225 HZ PHE 29 HZ PHE 29 -8.835 26.876 -8.158 226 H ARG 30 H ARG 30 -3.396 23.152 -3.803 227 HA ARG 30 HA ARG 30 -2.540 22.233 -6.437 228 HB2 ARG 30 2HB ARG 30 -1.534 21.832 -3.890 229 HB3 ARG 30 3HB ARG 30 -2.341 20.311 -4.249 230 HG2 ARG 30 2HG ARG 30 -0.169 21.633 -5.859 231 HG3 ARG 30 3HG ARG 30 -0.043 20.154 -4.904 232 HD2 ARG 30 2HD ARG 30 -0.486 19.078 -6.811 233 HD3 ARG 30 3HD ARG 30 -2.149 19.616 -6.578 234 HE ARG 30 HE ARG 30 -1.896 20.971 -8.390 235 HH11 ARG 30 1HH1 ARG 30 1.259 20.217 -7.126 236 HH12 ARG 30 2HH1 ARG 30 2.107 21.024 -8.403 237 HH21 ARG 30 1HH2 ARG 30 -0.791 22.036 -10.077 238 HH22 ARG 30 2HH2 ARG 30 0.940 22.059 -10.081 239 H VAL 31 H VAL 31 -3.714 20.918 -7.672 240 HA VAL 31 HA VAL 31 -6.129 19.708 -6.501 241 HB VAL 31 HB VAL 31 -6.481 21.351 -8.345 242 HG11 VAL 31 1HG1 VAL 31 -5.662 19.433 -10.411 243 HG12 VAL 31 2HG1 VAL 31 -5.511 21.190 -10.366 244 HG13 VAL 31 3HG1 VAL 31 -4.334 20.181 -9.526 245 HG21 VAL 31 1HG2 VAL 31 -8.054 19.949 -9.607 246 HG22 VAL 31 2HG2 VAL 31 -7.300 18.505 -8.931 247 HG23 VAL 31 3HG2 VAL 31 -8.143 19.637 -7.873 248 H ILE 32 H ILE 32 -6.466 17.555 -6.619 249 HA ILE 32 HA ILE 32 -4.408 15.949 -7.990 250 HB ILE 32 HB ILE 32 -4.932 14.160 -6.324 251 HG12 ILE 32 2HG1 ILE 32 -5.957 15.871 -4.261 252 HG13 ILE 32 3HG1 ILE 32 -7.033 15.939 -5.653 253 HG21 ILE 32 1HG2 ILE 32 -2.957 15.135 -5.768 254 HG22 ILE 32 2HG2 ILE 32 -3.652 16.753 -5.680 255 HG23 ILE 32 3HG2 ILE 32 -3.895 15.616 -4.354 256 HD11 ILE 32 1HD1 ILE 32 -6.431 13.702 -3.823 257 HD12 ILE 32 2HD1 ILE 32 -7.947 14.165 -4.598 258 HD13 ILE 32 3HD1 ILE 32 -6.713 13.303 -5.517 259 H SER 33 H SER 33 -5.127 14.845 -9.676 260 HA SER 33 HA SER 33 -7.991 14.191 -9.824 261 HB2 SER 33 2HB SER 33 -6.220 14.002 -12.219 262 HB3 SER 33 3HB SER 33 -7.916 14.471 -12.110 263 HG SER 33 HG SER 33 -6.943 16.377 -10.901 264 H ILE 34 H ILE 34 -8.543 12.148 -9.510 265 HA ILE 34 HA ILE 34 -6.883 9.999 -10.545 266 HB ILE 34 HB ILE 34 -6.800 8.764 -8.456 267 HG12 ILE 34 2HG1 ILE 34 -8.050 11.224 -7.213 268 HG13 ILE 34 3HG1 ILE 34 -8.847 9.670 -7.434 269 HG21 ILE 34 1HG2 ILE 34 -5.174 10.141 -7.255 270 HG22 ILE 34 2HG2 ILE 34 -4.929 10.226 -8.999 271 HG23 ILE 34 3HG2 ILE 34 -5.713 11.560 -8.153 272 HD11 ILE 34 1HD1 ILE 34 -6.841 10.510 -5.440 273 HD12 ILE 34 2HD1 ILE 34 -8.222 9.424 -5.282 274 HD13 ILE 34 3HD1 ILE 34 -6.733 8.854 -6.037 275 H ALA 35 H ALA 35 -7.973 7.883 -10.404 276 HA ALA 35 HA ALA 35 -10.585 7.970 -11.356 277 HB1 ALA 35 1HB ALA 35 -10.251 5.804 -11.757 278 HB2 ALA 35 2HB ALA 35 -8.644 6.028 -11.065 279 HB3 ALA 35 3HB ALA 35 -9.968 5.451 -10.052 280 H GLU 36 H GLU 36 -12.591 7.558 -10.456 281 HA GLU 36 HA GLU 36 -13.053 8.496 -7.855 282 HB2 GLU 36 2HB GLU 36 -14.712 8.484 -9.732 283 HB3 GLU 36 3HB GLU 36 -14.897 6.752 -9.493 284 HG2 GLU 36 2HG GLU 36 -15.321 7.685 -6.979 285 HG3 GLU 36 3HG GLU 36 -15.979 8.996 -7.958 286 H GLU 37 H GLU 37 -12.232 5.366 -9.031 287 HA GLU 37 HA GLU 37 -12.790 4.210 -6.378 288 HB2 GLU 37 2HB GLU 37 -13.409 3.266 -9.012 289 HB3 GLU 37 3HB GLU 37 -12.290 2.144 -8.251 290 HG2 GLU 37 2HG GLU 37 -14.196 2.759 -6.298 291 HG3 GLU 37 3HG GLU 37 -15.095 2.512 -7.794 292 H ALA 38 H ALA 38 -10.371 5.577 -7.905 293 HA ALA 38 HA ALA 38 -8.316 3.580 -7.734 294 HB1 ALA 38 1HB ALA 38 -8.477 6.425 -8.498 295 HB2 ALA 38 2HB ALA 38 -6.924 5.873 -7.869 296 HB3 ALA 38 3HB ALA 38 -7.637 5.084 -9.276 297 HA PRO 39 HA PRO 39 -7.099 3.969 -3.535 298 HB2 PRO 39 2HB PRO 39 -4.406 3.678 -3.719 299 HB3 PRO 39 3HB PRO 39 -5.535 2.339 -3.954 300 HG2 PRO 39 2HG PRO 39 -4.138 4.020 -5.999 301 HG3 PRO 39 3HG PRO 39 -4.392 2.265 -5.978 302 HD2 PRO 39 2HD PRO 39 -5.919 3.939 -7.460 303 HD3 PRO 39 3HD PRO 39 -6.556 2.442 -6.751 304 H LEU 40 H LEU 40 -6.416 5.461 -2.043 305 HA LEU 40 HA LEU 40 -6.232 8.130 -2.714 306 HB2 LEU 40 2HB LEU 40 -6.736 7.323 -0.467 307 HB3 LEU 40 3HB LEU 40 -5.079 6.751 -0.293 308 HG LEU 40 HG LEU 40 -5.774 8.962 0.843 309 HD11 LEU 40 1HD1 LEU 40 -3.393 9.697 -0.574 310 HD12 LEU 40 2HD1 LEU 40 -3.360 7.978 -0.186 311 HD13 LEU 40 3HD1 LEU 40 -3.582 9.167 1.097 312 HD21 LEU 40 1HD2 LEU 40 -6.667 9.690 -1.555 313 HD22 LEU 40 2HD2 LEU 40 -5.010 10.275 -1.703 314 HD23 LEU 40 3HD2 LEU 40 -6.036 10.853 -0.389 315 H THR 41 H THR 41 -3.705 5.726 -2.530 316 HA THR 41 HA THR 41 -1.427 7.266 -2.370 317 HB THR 41 HB THR 41 -1.296 5.097 -4.373 318 HG1 THR 41 HG1 THR 41 -1.658 3.496 -2.772 319 HG21 THR 41 1HG2 THR 41 0.327 4.530 -2.191 320 HG22 THR 41 2HG2 THR 41 0.330 6.291 -2.288 321 HG23 THR 41 3HG2 THR 41 0.817 5.330 -3.684 322 H ALA 42 H ALA 42 -3.607 6.863 -5.063 323 HA ALA 42 HA ALA 42 -1.983 7.767 -7.151 324 HB1 ALA 42 1HB ALA 42 -4.092 8.332 -8.298 325 HB2 ALA 42 2HB ALA 42 -4.122 6.725 -7.572 326 HB3 ALA 42 3HB ALA 42 -4.962 8.063 -6.788 327 H ALA 43 H ALA 43 -3.875 9.535 -4.761 328 HA ALA 43 HA ALA 43 -3.437 12.098 -5.972 329 HB1 ALA 43 1HB ALA 43 -5.410 11.606 -4.576 330 HB2 ALA 43 2HB ALA 43 -4.354 11.462 -3.170 331 HB3 ALA 43 3HB ALA 43 -4.505 13.008 -4.005 332 H LEU 44 H LEU 44 -1.781 10.112 -3.647 333 HA LEU 44 HA LEU 44 -0.272 11.933 -2.238 334 HB2 LEU 44 2HB LEU 44 -0.296 9.482 -1.886 335 HB3 LEU 44 3HB LEU 44 0.702 9.296 -3.327 336 HG LEU 44 HG LEU 44 2.310 10.914 -1.982 337 HD11 LEU 44 1HD1 LEU 44 0.296 10.458 -0.097 338 HD12 LEU 44 2HD1 LEU 44 1.868 11.210 0.170 339 HD13 LEU 44 3HD1 LEU 44 1.667 9.476 0.419 340 HD21 LEU 44 1HD2 LEU 44 1.965 7.944 -1.687 341 HD22 LEU 44 2HD2 LEU 44 3.324 8.808 -0.967 342 HD23 LEU 44 3HD2 LEU 44 3.094 8.826 -2.716 343 H ARG 45 H ARG 45 0.023 10.971 -5.568 344 HA ARG 45 HA ARG 45 2.617 11.672 -6.177 345 HB2 ARG 45 2HB ARG 45 0.256 11.109 -7.615 346 HB3 ARG 45 3HB ARG 45 0.867 12.631 -8.248 347 HG2 ARG 45 2HG ARG 45 2.877 10.514 -7.894 348 HG3 ARG 45 3HG ARG 45 1.645 10.206 -9.120 349 HD2 ARG 45 2HD ARG 45 2.620 11.623 -10.526 350 HD3 ARG 45 3HD ARG 45 2.571 12.912 -9.324 351 HE ARG 45 HE ARG 45 4.681 11.433 -8.529 352 HH11 ARG 45 1HH1 ARG 45 3.771 12.813 -11.593 353 HH12 ARG 45 2HH1 ARG 45 5.405 13.030 -12.128 354 HH21 ARG 45 1HH2 ARG 45 6.836 11.714 -9.222 355 HH22 ARG 45 2HH2 ARG 45 7.147 12.404 -10.779 356 H PHE 46 H PHE 46 -0.224 13.818 -6.429 357 HA PHE 46 HA PHE 46 1.508 16.137 -6.618 358 HB2 PHE 46 2HB PHE 46 -1.351 15.562 -7.089 359 HB3 PHE 46 3HB PHE 46 -0.996 17.175 -6.479 360 HD1 PHE 46 HD1 PHE 46 -1.675 15.536 -9.349 361 HD2 PHE 46 HD2 PHE 46 1.326 18.085 -7.732 362 HE1 PHE 46 HE1 PHE 46 -1.065 16.255 -11.622 363 HE2 PHE 46 HE2 PHE 46 1.940 18.808 -10.002 364 HZ PHE 46 HZ PHE 46 0.744 17.893 -11.951 365 H ALA 47 H ALA 47 -0.682 14.645 -4.315 366 HA ALA 47 HA ALA 47 -0.900 16.725 -2.465 367 HB1 ALA 47 1HB ALA 47 -1.069 14.639 -0.830 368 HB2 ALA 47 2HB ALA 47 -2.360 15.059 -1.956 369 HB3 ALA 47 3HB ALA 47 -1.217 13.779 -2.363 370 H ALA 48 H ALA 48 1.670 14.423 -3.034 371 HA ALA 48 HA ALA 48 3.088 14.663 -0.643 372 HB1 ALA 48 1HB ALA 48 5.107 14.179 -2.220 373 HB2 ALA 48 2HB ALA 48 3.855 12.958 -1.989 374 HB3 ALA 48 3HB ALA 48 3.853 13.959 -3.441 375 H GLU 49 H GLU 49 2.859 16.807 -3.385 376 HA GLU 49 HA GLU 49 5.108 18.428 -2.585 377 HB2 GLU 49 2HB GLU 49 2.980 19.253 -4.544 378 HB3 GLU 49 3HB GLU 49 4.668 19.741 -4.491 379 HG2 GLU 49 2HG GLU 49 5.122 17.211 -4.917 380 HG3 GLU 49 3HG GLU 49 3.459 17.212 -5.501 381 H GLU 50 H GLU 50 1.578 18.664 -2.469 382 HA GLU 50 HA GLU 50 1.426 21.272 -1.431 383 HB2 GLU 50 2HB GLU 50 -0.484 20.019 -2.414 384 HB3 GLU 50 3HB GLU 50 -0.510 18.994 -0.986 385 HG2 GLU 50 2HG GLU 50 -2.219 20.658 -0.794 386 HG3 GLU 50 3HG GLU 50 -0.961 20.983 0.397 387 H PHE 51 H PHE 51 1.563 18.114 0.171 388 HA PHE 51 HA PHE 51 1.615 19.385 2.790 389 HB2 PHE 51 2HB PHE 51 0.749 16.880 1.816 390 HB3 PHE 51 3HB PHE 51 2.109 16.553 2.885 391 HD1 PHE 51 HD1 PHE 51 -1.164 16.306 2.964 392 HD2 PHE 51 HD2 PHE 51 1.843 18.576 4.943 393 HE1 PHE 51 HE1 PHE 51 -2.643 16.560 4.913 394 HE2 PHE 51 HE2 PHE 51 0.369 18.833 6.896 395 HZ PHE 51 HZ PHE 51 -1.877 17.823 6.884 396 H GLY 52 H GLY 52 3.795 18.236 0.429 397 HA2 GLY 52 2HA GLY 52 6.096 18.260 0.380 398 HA3 GLY 52 3HA GLY 52 6.062 19.044 1.953 399 H ILE 53 H ILE 53 4.289 16.186 1.974 400 HA ILE 53 HA ILE 53 6.564 14.493 2.652 401 HB ILE 53 HB ILE 53 5.624 13.816 4.801 402 HG12 ILE 53 2HG1 ILE 53 3.606 16.020 4.321 403 HG13 ILE 53 3HG1 ILE 53 3.263 14.294 4.329 404 HG21 ILE 53 1HG2 ILE 53 7.231 15.785 4.512 405 HG22 ILE 53 2HG2 ILE 53 5.836 16.808 4.849 406 HG23 ILE 53 3HG2 ILE 53 6.385 15.642 6.052 407 HD11 ILE 53 1HD1 ILE 53 2.608 15.439 6.409 408 HD12 ILE 53 2HD1 ILE 53 3.788 14.154 6.668 409 HD13 ILE 53 3HD1 ILE 53 4.302 15.841 6.690 410 H ALA 54 H ALA 54 5.432 12.299 3.600 411 HA ALA 54 HA ALA 54 3.046 11.620 2.094 412 HB1 ALA 54 1HB ALA 54 4.375 11.059 0.326 413 HB2 ALA 54 2HB ALA 54 5.763 10.675 1.345 414 HB3 ALA 54 3HB ALA 54 4.419 9.540 1.222 415 H SER 55 H SER 55 2.190 11.265 4.184 416 HA SER 55 HA SER 55 2.278 8.626 5.094 417 HB2 SER 55 2HB SER 55 4.266 10.434 6.307 418 HB3 SER 55 3HB SER 55 3.284 9.535 7.463 419 HG SER 55 HG SER 55 4.171 7.708 6.822 420 H VAL 56 H VAL 56 2.256 11.574 7.076 421 HA VAL 56 HA VAL 56 -0.224 10.904 8.294 422 HB VAL 56 HB VAL 56 -0.093 13.044 9.409 423 HG11 VAL 56 1HG1 VAL 56 2.092 12.836 10.471 424 HG12 VAL 56 2HG1 VAL 56 1.363 11.249 10.215 425 HG13 VAL 56 3HG1 VAL 56 2.649 11.814 9.147 426 HG21 VAL 56 1HG2 VAL 56 0.585 14.768 8.153 427 HG22 VAL 56 2HG2 VAL 56 2.217 14.286 8.617 428 HG23 VAL 56 3HG2 VAL 56 1.537 13.736 7.086 429 H ASP 57 H ASP 57 0.605 12.499 5.387 430 HA ASP 57 HA ASP 57 -1.584 14.247 5.105 431 HB2 ASP 57 2HB ASP 57 -1.026 14.313 2.753 432 HB3 ASP 57 3HB ASP 57 0.465 14.297 3.691 433 H SER 58 H SER 58 -1.403 10.852 5.045 434 HA SER 58 HA SER 58 -3.426 10.188 3.226 435 HB2 SER 58 2HB SER 58 -3.331 8.040 4.112 436 HB3 SER 58 3HB SER 58 -1.751 8.679 4.563 437 HG SER 58 HG SER 58 -2.776 7.667 6.329 438 H MET 59 H MET 59 -3.564 11.479 6.444 439 HA MET 59 HA MET 59 -6.414 11.880 6.187 440 HB2 MET 59 2HB MET 59 -5.231 9.955 8.138 441 HB3 MET 59 3HB MET 59 -6.611 10.920 8.643 442 HG2 MET 59 2HG MET 59 -7.607 10.058 6.360 443 HG3 MET 59 3HG MET 59 -6.441 8.761 6.616 444 HE1 MET 59 1HE MET 59 -7.208 6.964 9.524 445 HE2 MET 59 2HE MET 59 -8.009 6.360 8.073 446 HE3 MET 59 3HE MET 59 -6.429 7.135 7.951 447 H ALA 60 H ALA 60 -5.305 14.024 6.086 448 HA ALA 60 HA ALA 60 -5.230 15.178 8.772 449 HB1 ALA 60 1HB ALA 60 -3.154 16.146 8.601 450 HB2 ALA 60 2HB ALA 60 -2.878 14.615 7.769 451 HB3 ALA 60 3HB ALA 60 -3.151 16.088 6.838 452 H ALA 61 H ALA 61 -7.394 15.770 7.857 453 HA ALA 61 HA ALA 61 -7.266 18.459 6.828 454 HB1 ALA 61 1HB ALA 61 -9.164 17.136 5.147 455 HB2 ALA 61 2HB ALA 61 -7.751 18.092 4.696 456 HB3 ALA 61 3HB ALA 61 -7.588 16.359 4.983 457 H THR 62 H THR 62 -9.043 19.657 7.373 458 HA THR 62 HA THR 62 -11.257 18.222 8.688 459 HB THR 62 HB THR 62 -11.274 20.657 9.931 460 HG1 THR 62 HG1 THR 62 -9.267 21.286 9.136 461 HG21 THR 62 1HG2 THR 62 -10.721 17.932 10.592 462 HG22 THR 62 2HG2 THR 62 -11.367 19.210 11.621 463 HG23 THR 62 3HG2 THR 62 -9.624 18.975 11.496 464 H THR 63 H THR 63 -13.322 19.203 8.576 465 HA THR 63 HA THR 63 -13.752 20.670 6.126 466 HB THR 63 HB THR 63 -15.272 18.836 6.779 467 HG1 THR 63 HG1 THR 63 -16.757 19.900 5.719 468 HG21 THR 63 1HG2 THR 63 -16.370 20.674 8.894 469 HG22 THR 63 2HG2 THR 63 -15.162 19.440 9.257 470 HG23 THR 63 3HG2 THR 63 -16.739 18.972 8.620 471 H LYS 64 H LYS 64 -15.338 22.525 6.142 472 HA LYS 64 HA LYS 64 -14.290 24.656 7.652 473 HB2 LYS 64 2HB LYS 64 -16.967 24.575 6.253 474 HB3 LYS 64 3HB LYS 64 -16.032 26.007 6.662 475 HG2 LYS 64 2HG LYS 64 -15.144 23.876 4.730 476 HG3 LYS 64 3HG LYS 64 -15.906 25.402 4.275 477 HD2 LYS 64 2HD LYS 64 -14.011 26.566 4.576 478 HD3 LYS 64 3HD LYS 64 -13.614 25.711 6.068 479 HE2 LYS 64 2HE LYS 64 -11.898 25.166 4.549 480 HE3 LYS 64 3HE LYS 64 -12.951 23.753 4.600 481 HZ1 LYS 64 1HZ LYS 64 -13.440 25.798 2.556 482 HZ2 LYS 64 2HZ LYS 64 -13.718 24.131 2.498 483 HZ3 LYS 64 3HZ LYS 64 -12.145 24.733 2.337 484 H ASP 65 H ASP 65 -16.905 22.442 8.233 485 HA ASP 65 HA ASP 65 -17.993 24.026 10.411 486 HB2 ASP 65 2HB ASP 65 -19.067 22.129 8.697 487 HB3 ASP 65 3HB ASP 65 -18.933 21.270 10.230 488 H GLY 66 H GLY 66 -15.268 22.380 10.174 489 HA2 GLY 66 2HA GLY 66 -14.093 22.153 12.362 490 HA3 GLY 66 3HA GLY 66 -15.490 21.225 12.886 491 H THR 67 H THR 67 -15.130 19.121 12.951 492 HA THR 67 HA THR 67 -12.870 17.898 11.766 493 HB THR 67 HB THR 67 -14.746 15.869 12.326 494 HG1 THR 67 HG1 THR 67 -15.952 16.628 13.886 495 HG21 THR 67 1HG2 THR 67 -12.440 15.609 12.835 496 HG22 THR 67 2HG2 THR 67 -13.292 15.589 14.379 497 HG23 THR 67 3HG2 THR 67 -12.435 17.041 13.864 498 H GLY 68 H GLY 68 -12.578 17.251 9.740 499 HA2 GLY 68 2HA GLY 68 -14.890 16.285 8.207 500 HA3 GLY 68 3HA GLY 68 -13.906 17.573 7.528 501 H ILE 69 H ILE 69 -12.687 14.860 9.410 502 HA ILE 69 HA ILE 69 -10.841 14.196 7.299 503 HB ILE 69 HB ILE 69 -10.061 12.422 8.870 504 HG12 ILE 69 2HG1 ILE 69 -11.365 13.419 11.227 505 HG13 ILE 69 3HG1 ILE 69 -12.581 12.898 10.065 506 HG21 ILE 69 1HG2 ILE 69 -9.221 14.035 10.606 507 HG22 ILE 69 2HG2 ILE 69 -8.938 14.511 8.933 508 HG23 ILE 69 3HG2 ILE 69 -10.242 15.260 9.853 509 HD11 ILE 69 1HD1 ILE 69 -10.669 10.880 10.054 510 HD12 ILE 69 2HD1 ILE 69 -10.861 11.329 11.749 511 HD13 ILE 69 3HD1 ILE 69 -12.265 10.839 10.801 512 H ASN 70 H ASN 70 -10.900 12.491 5.936 513 HA ASN 70 HA ASN 70 -13.308 10.806 6.027 514 HB2 ASN 70 2HB ASN 70 -11.620 10.866 3.585 515 HB3 ASN 70 3HB ASN 70 -13.373 10.813 3.742 516 HD21 ASN 70 1HD2 ASN 70 -14.482 12.624 3.441 517 HD22 ASN 70 2HD2 ASN 70 -13.798 14.205 3.309 518 HA PRO 71 HA PRO 71 -10.993 7.144 6.726 519 HB2 PRO 71 2HB PRO 71 -12.338 5.335 5.213 520 HB3 PRO 71 3HB PRO 71 -12.989 6.006 6.713 521 HG2 PRO 71 2HG PRO 71 -13.566 6.787 3.881 522 HG3 PRO 71 3HG PRO 71 -14.690 6.586 5.237 523 HD2 PRO 71 2HD PRO 71 -13.816 9.014 4.417 524 HD3 PRO 71 3HD PRO 71 -14.202 8.661 6.114 525 H ALA 72 H ALA 72 -11.852 7.479 3.277 526 HA ALA 72 HA ALA 72 -9.255 6.312 2.563 527 HB1 ALA 72 1HB ALA 72 -10.215 6.072 0.302 528 HB2 ALA 72 2HB ALA 72 -11.156 5.233 1.537 529 HB3 ALA 72 3HB ALA 72 -11.722 6.774 0.892 530 H GLN 73 H GLN 73 -11.111 9.245 2.425 531 HA GLN 73 HA GLN 73 -10.659 11.342 1.662 532 HB2 GLN 73 2HB GLN 73 -7.749 10.583 1.859 533 HB3 GLN 73 3HB GLN 73 -8.470 12.174 2.061 534 HG2 GLN 73 2HG GLN 73 -9.692 10.549 3.977 535 HG3 GLN 73 3HG GLN 73 -7.980 10.129 4.012 536 HE21 GLN 73 1HE2 GLN 73 -6.836 12.545 3.382 537 HE22 GLN 73 2HE2 GLN 73 -7.147 13.678 4.648 538 H THR 74 H THR 74 -10.935 9.205 -0.302 539 HA THR 74 HA THR 74 -9.039 9.717 -2.403 540 HB THR 74 HB THR 74 -11.693 8.376 -2.833 541 HG1 THR 74 HG1 THR 74 -9.411 7.361 -1.479 542 HG21 THR 74 1HG2 THR 74 -10.378 8.662 -4.811 543 HG22 THR 74 2HG2 THR 74 -10.268 6.965 -4.343 544 HG23 THR 74 3HG2 THR 74 -8.931 8.063 -4.002 545 H ALA 75 H ALA 75 -9.694 10.474 -4.555 546 HA ALA 75 HA ALA 75 -10.909 13.006 -4.453 547 HB1 ALA 75 1HB ALA 75 -10.317 11.251 -6.833 548 HB2 ALA 75 2HB ALA 75 -10.759 12.957 -6.914 549 HB3 ALA 75 3HB ALA 75 -9.255 12.473 -6.132 550 H GLY 76 H GLY 76 -12.111 9.889 -5.672 551 HA2 GLY 76 2HA GLY 76 -14.615 10.874 -6.554 552 HA3 GLY 76 3HA GLY 76 -14.229 9.192 -6.222 553 H ASN 77 H ASN 77 -13.527 9.557 -3.469 554 HA ASN 77 HA ASN 77 -16.128 9.382 -2.323 555 HB2 ASN 77 2HB ASN 77 -13.373 8.923 -1.471 556 HB3 ASN 77 3HB ASN 77 -14.370 9.617 -0.196 557 HD21 ASN 77 1HD2 ASN 77 -16.482 8.533 0.164 558 HD22 ASN 77 2HD2 ASN 77 -16.527 6.810 0.042 559 H VAL 78 H VAL 78 -13.431 11.625 -1.662 560 HA VAL 78 HA VAL 78 -14.840 13.389 -0.032 561 HB VAL 78 HB VAL 78 -13.102 15.007 -0.446 562 HG11 VAL 78 1HG1 VAL 78 -11.230 12.869 -0.607 563 HG12 VAL 78 2HG1 VAL 78 -11.756 13.773 0.815 564 HG13 VAL 78 3HG1 VAL 78 -12.629 12.323 0.318 565 HG21 VAL 78 1HG2 VAL 78 -12.731 13.440 -2.944 566 HG22 VAL 78 2HG2 VAL 78 -12.700 15.185 -2.689 567 HG23 VAL 78 3HG2 VAL 78 -11.314 14.201 -2.219 568 H PHE 79 H PHE 79 -14.681 13.152 -3.519 569 HA PHE 79 HA PHE 79 -15.644 15.647 -4.261 570 HB2 PHE 79 2HB PHE 79 -14.851 14.164 -5.957 571 HB3 PHE 79 3HB PHE 79 -16.028 12.930 -5.518 572 HD1 PHE 79 HD1 PHE 79 -15.525 16.142 -7.208 573 HD2 PHE 79 HD2 PHE 79 -18.298 13.049 -6.282 574 HE1 PHE 79 HE1 PHE 79 -17.079 17.035 -8.894 575 HE2 PHE 79 HE2 PHE 79 -19.856 13.935 -7.967 576 HZ PHE 79 HZ PHE 79 -19.247 15.930 -9.276 577 H MET 80 H MET 80 -17.486 12.696 -3.514 578 HA MET 80 HA MET 80 -19.989 14.164 -3.641 579 HB2 MET 80 2HB MET 80 -19.552 11.718 -4.419 580 HB3 MET 80 3HB MET 80 -19.732 11.321 -2.716 581 HG2 MET 80 2HG MET 80 -21.953 12.557 -2.831 582 HG3 MET 80 3HG MET 80 -21.761 12.496 -4.581 583 HE1 MET 80 1HE MET 80 -24.449 10.622 -2.987 584 HE2 MET 80 2HE MET 80 -24.037 11.673 -4.342 585 HE3 MET 80 3HE MET 80 -24.333 9.955 -4.615 586 H LYS 81 H LYS 81 -17.654 13.308 -1.314 587 HA LYS 81 HA LYS 81 -19.377 13.198 0.966 588 HB2 LYS 81 2HB LYS 81 -16.999 12.234 0.710 589 HB3 LYS 81 3HB LYS 81 -16.444 13.868 1.053 590 HG2 LYS 81 2HG LYS 81 -16.399 12.679 3.095 591 HG3 LYS 81 3HG LYS 81 -17.783 13.772 3.173 592 HD2 LYS 81 2HD LYS 81 -18.434 11.619 4.035 593 HD3 LYS 81 3HD LYS 81 -19.246 11.888 2.491 594 HE2 LYS 81 2HE LYS 81 -18.009 10.291 1.408 595 HE3 LYS 81 3HE LYS 81 -16.627 10.476 2.487 596 HZ1 LYS 81 1HZ LYS 81 -19.068 8.888 2.851 597 HZ2 LYS 81 2HZ LYS 81 -18.285 9.498 4.221 598 HZ3 LYS 81 3HZ LYS 81 -17.458 8.471 3.160 599 H TYR 82 H TYR 82 -16.987 15.628 -0.097 600 HA TYR 82 HA TYR 82 -18.629 17.674 1.245 601 HB2 TYR 82 2HB TYR 82 -15.617 17.504 1.049 602 HB3 TYR 82 3HB TYR 82 -16.487 18.922 1.623 603 HD1 TYR 82 HD1 TYR 82 -15.240 15.636 2.464 604 HD2 TYR 82 HD2 TYR 82 -17.831 18.766 3.726 605 HE1 TYR 82 HE1 TYR 82 -15.264 14.692 4.735 606 HE2 TYR 82 HE2 TYR 82 -17.861 17.831 6.001 607 HH TYR 82 HH TYR 82 -17.487 15.503 7.038 608 H GLY 83 H GLY 83 -16.790 16.739 -1.553 609 HA2 GLY 83 2HA GLY 83 -16.594 17.660 -3.646 610 HA3 GLY 83 3HA GLY 83 -18.137 18.432 -3.310 611 H GLN 84 H GLN 84 -14.656 18.766 -2.678 612 HA GLN 84 HA GLN 84 -13.312 20.592 -2.497 613 HB2 GLN 84 2HB GLN 84 -15.427 22.094 -4.034 614 HB3 GLN 84 3HB GLN 84 -13.697 22.408 -3.988 615 HG2 GLN 84 2HG GLN 84 -13.324 20.238 -5.124 616 HG3 GLN 84 3HG GLN 84 -15.072 20.058 -5.266 617 HE21 GLN 84 1HE2 GLN 84 -13.974 19.921 -7.563 618 HE22 GLN 84 2HE2 GLN 84 -14.054 21.392 -8.466 619 H GLU 85 H GLU 85 -14.268 20.333 -0.187 620 HA GLU 85 HA GLU 85 -14.909 23.004 0.724 621 HB2 GLU 85 2HB GLU 85 -17.054 21.447 0.246 622 HB3 GLU 85 3HB GLU 85 -16.686 20.937 1.887 623 HG2 GLU 85 2HG GLU 85 -17.515 22.802 2.753 624 HG3 GLU 85 3HG GLU 85 -16.620 23.815 1.622 625 H ILE 86 H ILE 86 -12.816 20.825 0.936 626 HA ILE 86 HA ILE 86 -12.700 20.727 3.881 627 HB ILE 86 HB ILE 86 -11.608 18.715 1.912 628 HG12 ILE 86 2HG1 ILE 86 -14.048 18.585 2.327 629 HG13 ILE 86 3HG1 ILE 86 -13.188 17.171 2.928 630 HG21 ILE 86 1HG2 ILE 86 -10.014 18.566 3.529 631 HG22 ILE 86 2HG2 ILE 86 -11.079 19.185 4.791 632 HG23 ILE 86 3HG2 ILE 86 -11.233 17.514 4.249 633 HD11 ILE 86 1HD1 ILE 86 -13.313 19.058 5.030 634 HD12 ILE 86 2HD1 ILE 86 -14.923 18.920 4.323 635 HD13 ILE 86 3HD1 ILE 86 -14.094 17.481 4.915 636 H ARG 87 H ARG 87 -10.791 21.265 4.876 637 HA ARG 87 HA ARG 87 -8.752 22.476 3.134 638 HB2 ARG 87 2HB ARG 87 -8.210 23.965 4.923 639 HB3 ARG 87 3HB ARG 87 -9.960 23.971 4.747 640 HG2 ARG 87 2HG ARG 87 -10.135 23.522 6.904 641 HG3 ARG 87 3HG ARG 87 -9.369 21.960 6.612 642 HD2 ARG 87 2HD ARG 87 -7.303 22.692 7.289 643 HD3 ARG 87 3HD ARG 87 -7.642 24.370 6.866 644 HE ARG 87 HE ARG 87 -8.193 23.063 9.372 645 HH11 ARG 87 1HH1 ARG 87 -8.997 25.720 7.272 646 HH12 ARG 87 2HH1 ARG 87 -9.621 26.711 8.549 647 HH21 ARG 87 1HH2 ARG 87 -9.012 24.358 11.062 648 HH22 ARG 87 2HH2 ARG 87 -9.628 25.936 10.705 649 H LEU 88 H LEU 88 -6.567 22.085 3.506 650 HA LEU 88 HA LEU 88 -6.011 19.548 4.811 651 HB2 LEU 88 2HB LEU 88 -5.130 20.568 2.498 652 HB3 LEU 88 3HB LEU 88 -3.839 21.123 3.561 653 HG LEU 88 HG LEU 88 -3.392 18.802 4.216 654 HD11 LEU 88 1HD1 LEU 88 -4.813 17.144 3.829 655 HD12 LEU 88 2HD1 LEU 88 -4.833 17.494 2.101 656 HD13 LEU 88 3HD1 LEU 88 -5.947 18.331 3.183 657 HD21 LEU 88 1HD2 LEU 88 -2.653 18.011 1.900 658 HD22 LEU 88 2HD2 LEU 88 -2.025 19.557 2.473 659 HD23 LEU 88 3HD2 LEU 88 -3.345 19.520 1.302 660 H ILE 89 H ILE 89 -5.053 19.329 6.730 661 HA ILE 89 HA ILE 89 -3.497 21.553 7.827 662 HB ILE 89 HB ILE 89 -5.769 21.798 8.738 663 HG12 ILE 89 2HG1 ILE 89 -3.706 20.844 10.736 664 HG13 ILE 89 3HG1 ILE 89 -3.868 22.480 10.108 665 HG21 ILE 89 1HG2 ILE 89 -6.196 19.273 8.590 666 HG22 ILE 89 2HG2 ILE 89 -5.407 19.185 10.163 667 HG23 ILE 89 3HG2 ILE 89 -6.872 20.146 9.965 668 HD11 ILE 89 1HD1 ILE 89 -5.175 22.939 11.828 669 HD12 ILE 89 2HD1 ILE 89 -6.369 21.818 11.172 670 HD13 ILE 89 3HD1 ILE 89 -5.172 21.250 12.336 671 HA PRO 90 HA PRO 90 -0.785 18.197 8.811 672 HB2 PRO 90 2HB PRO 90 0.945 19.601 10.362 673 HB3 PRO 90 3HB PRO 90 0.917 19.726 8.599 674 HG2 PRO 90 2HG PRO 90 -0.288 21.548 10.646 675 HG3 PRO 90 3HG PRO 90 0.602 21.958 9.168 676 HD2 PRO 90 2HD PRO 90 -2.100 22.046 9.313 677 HD3 PRO 90 3HD PRO 90 -1.238 21.629 7.818 678 H ARG 91 H ARG 91 -2.603 17.254 10.106 679 HA ARG 91 HA ARG 91 -2.234 17.661 12.996 680 HB2 ARG 91 2HB ARG 91 -4.554 17.689 11.551 681 HB3 ARG 91 3HB ARG 91 -4.508 16.021 12.106 682 HG2 ARG 91 2HG ARG 91 -3.969 17.194 14.418 683 HG3 ARG 91 3HG ARG 91 -4.830 18.529 13.649 684 HD2 ARG 91 2HD ARG 91 -6.382 16.303 13.085 685 HD3 ARG 91 3HD ARG 91 -5.848 16.044 14.745 686 HE ARG 91 HE ARG 91 -7.769 17.934 13.857 687 HH11 ARG 91 1HH1 ARG 91 -5.219 17.468 16.180 688 HH12 ARG 91 2HH1 ARG 91 -5.888 18.576 17.331 689 HH21 ARG 91 1HH2 ARG 91 -8.660 19.395 15.365 690 HH22 ARG 91 2HH2 ARG 91 -7.846 19.671 16.867 691 H ASP 92 H ASP 92 -2.374 15.731 14.368 692 HA ASP 92 HA ASP 92 -1.675 13.664 15.011 693 HB2 ASP 92 2HB ASP 92 -2.142 12.817 12.148 694 HB3 ASP 92 3HB ASP 92 -2.122 11.788 13.577 695 H ARG 93 H ARG 93 0.251 15.579 14.151 696 HA ARG 93 HA ARG 93 2.469 13.776 13.643 697 HB2 ARG 93 2HB ARG 93 1.601 14.636 11.404 698 HB3 ARG 93 3HB ARG 93 2.159 16.224 11.911 699 HG2 ARG 93 2HG ARG 93 4.429 15.059 12.285 700 HG3 ARG 93 3HG ARG 93 3.758 13.782 11.269 701 HD2 ARG 93 2HD ARG 93 3.963 15.006 9.403 702 HD3 ARG 93 3HD ARG 93 3.364 16.466 10.189 703 HE ARG 93 HE ARG 93 5.525 17.137 10.445 704 HH11 ARG 93 1HH1 ARG 93 5.485 13.683 10.006 705 HH12 ARG 93 2HH1 ARG 93 7.211 13.537 9.970 706 HH21 ARG 93 1HH2 ARG 93 7.798 16.957 10.399 707 HH22 ARG 93 2HH2 ARG 93 8.526 15.399 10.194 708 H VAL 94 H VAL 94 1.733 17.269 13.737 709 HA VAL 94 HA VAL 94 4.161 17.971 15.013 710 HB VAL 94 HB VAL 94 1.560 19.505 14.906 711 HG11 VAL 94 1HG1 VAL 94 4.356 20.450 15.530 712 HG12 VAL 94 2HG1 VAL 94 2.930 21.476 15.370 713 HG13 VAL 94 3HG1 VAL 94 3.031 20.303 16.684 714 HG21 VAL 94 1HG2 VAL 94 3.587 18.937 12.923 715 HG22 VAL 94 2HG2 VAL 94 2.013 19.709 12.734 716 HG23 VAL 94 3HG2 VAL 94 3.417 20.671 13.198 717 H GLY 95 H GLY 95 0.926 17.235 16.213 718 HA2 GLY 95 2HA GLY 95 2.057 17.164 18.937 719 HA3 GLY 95 3HA GLY 95 0.505 17.929 18.629 Start of MODEL 6 1 H1 MET 1 H MET 1 13.147 6.123 -18.061 2 HA MET 1 HA MET 1 14.347 8.673 -18.884 3 HB2 MET 1 2HB MET 1 12.939 6.667 -20.606 4 HB3 MET 1 3HB MET 1 12.811 8.379 -20.987 5 HG2 MET 1 2HG MET 1 15.443 8.249 -20.740 6 HG3 MET 1 3HG MET 1 15.144 6.563 -21.155 7 HE1 MET 1 1HE MET 1 16.956 7.510 -22.923 8 HE2 MET 1 2HE MET 1 16.480 8.265 -24.445 9 HE3 MET 1 3HE MET 1 16.671 9.250 -22.993 10 H SER 2 H SER 2 12.911 10.423 -19.023 11 HA SER 2 HA SER 2 11.168 11.710 -18.328 12 HB2 SER 2 2HB SER 2 9.088 11.102 -19.115 13 HB3 SER 2 3HB SER 2 10.097 9.990 -20.039 14 HG SER 2 HG SER 2 8.255 9.019 -18.954 15 H GLN 3 H GLN 3 9.013 11.476 -16.824 16 HA GLN 3 HA GLN 3 9.412 9.736 -14.565 17 HB2 GLN 3 2HB GLN 3 10.630 12.309 -14.557 18 HB3 GLN 3 3HB GLN 3 9.295 12.341 -13.412 19 HG2 GLN 3 2HG GLN 3 10.673 11.422 -11.945 20 HG3 GLN 3 3HG GLN 3 10.562 9.940 -12.892 21 HE21 GLN 3 1HE2 GLN 3 12.387 9.126 -13.629 22 HE22 GLN 3 2HE2 GLN 3 13.883 9.973 -13.796 23 H ASN 4 H ASN 4 7.344 9.029 -14.651 24 HA ASN 4 HA ASN 4 5.172 10.983 -14.761 25 HB2 ASN 4 2HB ASN 4 5.501 8.196 -15.554 26 HB3 ASN 4 3HB ASN 4 4.022 8.459 -14.634 27 HD21 ASN 4 1HD2 ASN 4 5.635 8.903 -17.606 28 HD22 ASN 4 2HD2 ASN 4 4.361 9.720 -18.439 29 H GLU 5 H GLU 5 3.653 11.230 -13.156 30 HA GLU 5 HA GLU 5 4.111 9.748 -10.655 31 HB2 GLU 5 2HB GLU 5 5.040 12.125 -10.670 32 HB3 GLU 5 3HB GLU 5 3.369 12.667 -10.732 33 HG2 GLU 5 2HG GLU 5 3.642 12.724 -8.496 34 HG3 GLU 5 3HG GLU 5 3.179 11.030 -8.645 35 H GLU 6 H GLU 6 2.193 9.104 -12.606 36 HA GLU 6 HA GLU 6 -0.241 9.489 -11.037 37 HB2 GLU 6 2HB GLU 6 -1.542 9.877 -13.149 38 HB3 GLU 6 3HB GLU 6 -0.485 11.202 -12.682 39 HG2 GLU 6 2HG GLU 6 0.636 11.091 -14.589 40 HG3 GLU 6 3HG GLU 6 0.874 9.352 -14.427 41 H ALA 7 H ALA 7 -1.410 7.674 -10.853 42 HA ALA 7 HA ALA 7 -0.420 5.260 -12.082 43 HB1 ALA 7 1HB ALA 7 -2.665 4.490 -10.759 44 HB2 ALA 7 2HB ALA 7 -1.065 4.622 -10.029 45 HB3 ALA 7 3HB ALA 7 -2.218 5.946 -9.869 46 HA PRO 8 HA PRO 8 -3.251 4.826 -15.406 47 HB2 PRO 8 2HB PRO 8 -3.824 2.173 -15.342 48 HB3 PRO 8 3HB PRO 8 -2.257 2.805 -15.862 49 HG2 PRO 8 2HG PRO 8 -3.055 1.665 -13.211 50 HG3 PRO 8 3HG PRO 8 -1.575 1.389 -14.148 51 HD2 PRO 8 2HD PRO 8 -1.672 3.092 -12.045 52 HD3 PRO 8 3HD PRO 8 -0.611 3.360 -13.443 53 H ALA 9 H ALA 9 -4.348 3.007 -12.540 54 HA ALA 9 HA ALA 9 -6.401 2.738 -11.593 55 HB1 ALA 9 1HB ALA 9 -6.082 5.255 -11.473 56 HB2 ALA 9 2HB ALA 9 -7.170 5.353 -12.857 57 HB3 ALA 9 3HB ALA 9 -7.736 4.658 -11.339 58 H ARG 10 H ARG 10 -7.123 0.970 -12.756 59 HA ARG 10 HA ARG 10 -8.553 1.411 -15.257 60 HB2 ARG 10 2HB ARG 10 -7.294 -0.876 -13.913 61 HB3 ARG 10 3HB ARG 10 -8.824 -1.259 -14.691 62 HG2 ARG 10 2HG ARG 10 -7.121 -1.697 -16.268 63 HG3 ARG 10 3HG ARG 10 -7.912 -0.205 -16.778 64 HD2 ARG 10 2HD ARG 10 -6.121 1.124 -16.046 65 HD3 ARG 10 3HD ARG 10 -5.443 -0.181 -15.072 66 HE ARG 10 HE ARG 10 -5.047 0.273 -17.885 67 HH11 ARG 10 1HH1 ARG 10 -4.993 -2.081 -15.321 68 HH12 ARG 10 2HH1 ARG 10 -3.892 -3.139 -16.140 69 HH21 ARG 10 1HH2 ARG 10 -3.597 -1.111 -18.973 70 HH22 ARG 10 2HH2 ARG 10 -3.098 -2.586 -18.217 71 H SER 11 H SER 11 -9.162 0.201 -11.983 72 HA SER 11 HA SER 11 -11.949 -0.266 -12.458 73 HB2 SER 11 2HB SER 11 -12.078 -0.724 -10.064 74 HB3 SER 11 3HB SER 11 -10.661 -1.519 -10.750 75 HG SER 11 HG SER 11 -9.774 -0.534 -9.078 76 H GLY 12 H GLY 12 -13.606 1.108 -12.287 77 HA2 GLY 12 2HA GLY 12 -14.838 2.942 -11.566 78 HA3 GLY 12 3HA GLY 12 -13.460 3.453 -10.603 79 H GLY 13 H GLY 13 -14.515 5.517 -11.635 80 HA2 GLY 13 2HA GLY 13 -13.534 6.011 -14.339 81 HA3 GLY 13 3HA GLY 13 -14.552 7.083 -13.388 82 H LYS 14 H LYS 14 -13.442 8.950 -13.390 83 HA LYS 14 HA LYS 14 -10.861 8.964 -12.029 84 HB2 LYS 14 2HB LYS 14 -11.342 10.156 -14.762 85 HB3 LYS 14 3HB LYS 14 -9.966 10.574 -13.750 86 HG2 LYS 14 2HG LYS 14 -10.606 7.824 -14.798 87 HG3 LYS 14 3HG LYS 14 -9.374 8.917 -15.434 88 HD2 LYS 14 2HD LYS 14 -8.954 8.673 -12.640 89 HD3 LYS 14 3HD LYS 14 -9.171 7.048 -13.293 90 HE2 LYS 14 2HE LYS 14 -6.992 7.184 -13.802 91 HE3 LYS 14 3HE LYS 14 -7.534 8.175 -15.156 92 HZ1 LYS 14 1HZ LYS 14 -6.151 8.956 -12.724 93 HZ2 LYS 14 2HZ LYS 14 -7.364 10.012 -13.247 94 HZ3 LYS 14 3HZ LYS 14 -6.077 9.626 -14.275 95 H VAL 15 H VAL 15 -10.618 10.663 -10.688 96 HA VAL 15 HA VAL 15 -12.378 12.987 -11.010 97 HB VAL 15 HB VAL 15 -11.974 11.646 -8.338 98 HG11 VAL 15 1HG1 VAL 15 -12.430 14.044 -8.256 99 HG12 VAL 15 2HG1 VAL 15 -13.874 13.809 -9.242 100 HG13 VAL 15 3HG1 VAL 15 -13.789 13.116 -7.622 101 HG21 VAL 15 1HG2 VAL 15 -14.160 11.334 -10.368 102 HG22 VAL 15 2HG2 VAL 15 -13.278 10.086 -9.488 103 HG23 VAL 15 3HG2 VAL 15 -14.463 11.085 -8.649 104 H THR 16 H THR 16 -11.506 14.915 -10.377 105 HA THR 16 HA THR 16 -8.708 14.827 -9.459 106 HB THR 16 HB THR 16 -8.802 15.820 -11.632 107 HG1 THR 16 HG1 THR 16 -7.419 16.945 -10.277 108 HG21 THR 16 1HG2 THR 16 -10.673 16.793 -12.351 109 HG22 THR 16 2HG2 THR 16 -10.329 18.166 -11.299 110 HG23 THR 16 3HG2 THR 16 -11.322 16.832 -10.712 111 H PHE 17 H PHE 17 -8.465 15.357 -7.397 112 HA PHE 17 HA PHE 17 -10.382 17.213 -6.167 113 HB2 PHE 17 2HB PHE 17 -8.728 14.956 -5.125 114 HB3 PHE 17 3HB PHE 17 -9.120 16.278 -4.030 115 HD1 PHE 17 HD1 PHE 17 -11.307 16.546 -3.151 116 HD2 PHE 17 HD2 PHE 17 -10.531 13.599 -6.122 117 HE1 PHE 17 HE1 PHE 17 -13.512 15.541 -2.725 118 HE2 PHE 17 HE2 PHE 17 -12.734 12.589 -5.701 119 HZ PHE 17 HZ PHE 17 -14.229 13.560 -4.001 120 H ARG 18 H ARG 18 -9.761 19.176 -5.521 121 HA ARG 18 HA ARG 18 -6.879 19.787 -5.558 122 HB2 ARG 18 2HB ARG 18 -7.703 22.182 -5.936 123 HB3 ARG 18 3HB ARG 18 -7.852 21.056 -7.279 124 HG2 ARG 18 2HG ARG 18 -10.214 20.726 -6.739 125 HG3 ARG 18 3HG ARG 18 -10.061 21.864 -5.398 126 HD2 ARG 18 2HD ARG 18 -9.150 22.830 -8.033 127 HD3 ARG 18 3HD ARG 18 -10.884 22.556 -7.868 128 HE ARG 18 HE ARG 18 -10.008 24.019 -5.651 129 HH11 ARG 18 1HH1 ARG 18 -10.389 24.392 -9.091 130 HH12 ARG 18 2HH1 ARG 18 -10.649 26.103 -9.008 131 HH21 ARG 18 1HH2 ARG 18 -10.349 26.271 -5.529 132 HH22 ARG 18 2HH2 ARG 18 -10.625 27.171 -6.981 133 H ILE 19 H ILE 19 -6.191 19.737 -3.507 134 HA ILE 19 HA ILE 19 -7.845 21.021 -1.440 135 HB ILE 19 HB ILE 19 -5.504 19.182 -0.964 136 HG12 ILE 19 2HG1 ILE 19 -7.210 17.964 -2.222 137 HG13 ILE 19 3HG1 ILE 19 -7.165 17.407 -0.553 138 HG21 ILE 19 1HG2 ILE 19 -6.743 18.902 1.242 139 HG22 ILE 19 2HG2 ILE 19 -5.936 20.445 0.968 140 HG23 ILE 19 3HG2 ILE 19 -7.683 20.315 0.764 141 HD11 ILE 19 1HD1 ILE 19 -9.352 18.469 -2.049 142 HD12 ILE 19 2HD1 ILE 19 -9.342 17.749 -0.439 143 HD13 ILE 19 3HD1 ILE 19 -9.051 19.477 -0.633 144 H ILE 20 H ILE 20 -7.153 22.808 -0.437 145 HA ILE 20 HA ILE 20 -4.539 23.879 -1.210 146 HB ILE 20 HB ILE 20 -6.811 25.289 0.194 147 HG12 ILE 20 2HG1 ILE 20 -7.499 24.609 -2.040 148 HG13 ILE 20 3HG1 ILE 20 -7.225 26.347 -2.007 149 HG21 ILE 20 1HG2 ILE 20 -5.486 27.070 0.375 150 HG22 ILE 20 2HG2 ILE 20 -4.143 25.997 -0.016 151 HG23 ILE 20 3HG2 ILE 20 -4.934 26.919 -1.294 152 HD11 ILE 20 1HD1 ILE 20 -6.361 25.278 -4.039 153 HD12 ILE 20 2HD1 ILE 20 -5.093 26.065 -3.098 154 HD13 ILE 20 3HD1 ILE 20 -5.269 24.312 -3.046 155 H LEU 21 H LEU 21 -2.894 23.637 0.138 156 HA LEU 21 HA LEU 21 -3.427 23.184 2.984 157 HB2 LEU 21 2HB LEU 21 -0.853 22.676 2.865 158 HB3 LEU 21 3HB LEU 21 -2.048 21.484 2.359 159 HG LEU 21 HG LEU 21 -1.656 22.073 0.021 160 HD11 LEU 21 1HD1 LEU 21 0.379 23.518 -0.449 161 HD12 LEU 21 2HD1 LEU 21 0.234 24.079 1.216 162 HD13 LEU 21 3HD1 LEU 21 -1.084 24.351 0.076 163 HD21 LEU 21 1HD2 LEU 21 -0.107 20.521 1.561 164 HD22 LEU 21 2HD2 LEU 21 1.103 21.678 1.006 165 HD23 LEU 21 3HD2 LEU 21 0.168 20.749 -0.166 166 H THR 22 H THR 22 -2.317 24.333 4.601 167 HA THR 22 HA THR 22 -1.552 27.036 3.785 168 HB THR 22 HB THR 22 -1.681 27.544 6.240 169 HG1 THR 22 HG1 THR 22 -1.542 25.725 7.369 170 HG21 THR 22 1HG2 THR 22 -3.903 27.985 6.089 171 HG22 THR 22 2HG2 THR 22 -4.306 26.340 5.597 172 HG23 THR 22 3HG2 THR 22 -3.654 27.478 4.419 173 H SER 23 H SER 23 -0.072 24.140 4.468 174 HA SER 23 HA SER 23 2.197 25.150 5.925 175 HB2 SER 23 2HB SER 23 1.993 22.930 6.435 176 HB3 SER 23 3HB SER 23 1.326 22.519 4.855 177 HG SER 23 HG SER 23 3.694 21.983 5.591 178 H GLU 24 H GLU 24 1.235 25.064 2.668 179 HA GLU 24 HA GLU 24 3.967 25.770 1.830 180 HB2 GLU 24 2HB GLU 24 2.921 23.464 1.065 181 HB3 GLU 24 3HB GLU 24 2.101 24.481 -0.112 182 HG2 GLU 24 2HG GLU 24 3.907 24.168 -1.372 183 HG3 GLU 24 3HG GLU 24 4.679 25.348 -0.315 184 H ARG 25 H ARG 25 2.903 27.910 2.452 185 HA ARG 25 HA ARG 25 0.877 29.030 0.842 186 HB2 ARG 25 2HB ARG 25 1.427 29.997 2.992 187 HB3 ARG 25 3HB ARG 25 3.065 30.346 2.457 188 HG2 ARG 25 2HG ARG 25 2.419 32.140 1.187 189 HG3 ARG 25 3HG ARG 25 0.782 31.521 0.953 190 HD2 ARG 25 2HD ARG 25 0.704 31.862 3.590 191 HD3 ARG 25 3HD ARG 25 1.933 33.066 3.210 192 HE ARG 25 HE ARG 25 -0.868 33.234 2.662 193 HH11 ARG 25 1HH1 ARG 25 2.286 34.242 1.585 194 HH12 ARG 25 2HH1 ARG 25 1.704 35.671 0.798 195 HH21 ARG 25 1HH2 ARG 25 -1.646 35.113 1.629 196 HH22 ARG 25 2HH2 ARG 25 -0.533 36.167 0.824 197 H SER 26 H SER 26 4.132 28.328 0.187 198 HA SER 26 HA SER 26 4.882 30.379 -1.547 199 HB2 SER 26 2HB SER 26 5.953 27.924 -0.726 200 HB3 SER 26 3HB SER 26 5.830 27.804 -2.482 201 HG SER 26 HG SER 26 7.746 28.928 -1.258 202 H GLN 27 H GLN 27 2.808 27.607 -2.046 203 HA GLN 27 HA GLN 27 1.508 28.707 -4.265 204 HB2 GLN 27 2HB GLN 27 2.324 27.067 -6.005 205 HB3 GLN 27 3HB GLN 27 3.457 28.341 -5.573 206 HG2 GLN 27 2HG GLN 27 4.891 26.905 -4.520 207 HG3 GLN 27 3HG GLN 27 3.622 25.741 -4.142 208 HE21 GLN 27 1HE2 GLN 27 2.534 24.943 -6.314 209 HE22 GLN 27 2HE2 GLN 27 3.663 24.349 -7.479 210 HA PRO 28 HA PRO 28 -0.387 25.046 -2.070 211 HB2 PRO 28 2HB PRO 28 -2.606 26.369 -1.237 212 HB3 PRO 28 3HB PRO 28 -1.106 26.325 -0.302 213 HG2 PRO 28 2HG PRO 28 -2.150 28.471 -2.110 214 HG3 PRO 28 3HG PRO 28 -1.382 28.624 -0.519 215 HD2 PRO 28 2HD PRO 28 -0.042 29.058 -2.831 216 HD3 PRO 28 3HD PRO 28 0.743 28.396 -1.383 217 H PHE 29 H PHE 29 -0.799 24.024 -4.035 218 HA PHE 29 HA PHE 29 -3.466 24.085 -4.953 219 HB2 PHE 29 2HB PHE 29 -2.618 26.177 -6.035 220 HB3 PHE 29 3HB PHE 29 -1.456 25.195 -6.921 221 HD1 PHE 29 HD1 PHE 29 -5.068 24.683 -6.159 222 HD2 PHE 29 HD2 PHE 29 -2.069 25.186 -9.137 223 HE1 PHE 29 HE1 PHE 29 -6.748 24.288 -7.913 224 HE2 PHE 29 HE2 PHE 29 -3.744 24.792 -10.895 225 HZ PHE 29 HZ PHE 29 -6.087 24.344 -10.285 226 H ARG 30 H ARG 30 -2.293 21.962 -4.088 227 HA ARG 30 HA ARG 30 -1.010 20.517 -6.276 228 HB2 ARG 30 2HB ARG 30 -0.134 20.418 -3.913 229 HB3 ARG 30 3HB ARG 30 -1.590 19.530 -3.482 230 HG2 ARG 30 2HG ARG 30 0.300 18.038 -3.854 231 HG3 ARG 30 3HG ARG 30 -0.987 17.754 -5.027 232 HD2 ARG 30 2HD ARG 30 0.407 18.150 -6.711 233 HD3 ARG 30 3HD ARG 30 0.812 19.731 -6.045 234 HE ARG 30 HE ARG 30 2.196 17.664 -4.679 235 HH11 ARG 30 1HH1 ARG 30 2.177 19.491 -7.643 236 HH12 ARG 30 2HH1 ARG 30 3.877 19.307 -7.920 237 HH21 ARG 30 1HH2 ARG 30 4.436 17.415 -5.033 238 HH22 ARG 30 2HH2 ARG 30 5.161 18.125 -6.435 239 H VAL 31 H VAL 31 -2.233 19.458 -7.678 240 HA VAL 31 HA VAL 31 -4.928 18.627 -6.918 241 HB VAL 31 HB VAL 31 -5.285 18.205 -9.304 242 HG11 VAL 31 1HG1 VAL 31 -5.582 20.400 -9.859 243 HG12 VAL 31 2HG1 VAL 31 -5.283 20.575 -8.129 244 HG13 VAL 31 3HG1 VAL 31 -3.985 20.877 -9.285 245 HG21 VAL 31 1HG2 VAL 31 -3.534 17.689 -10.575 246 HG22 VAL 31 2HG2 VAL 31 -3.084 19.394 -10.541 247 HG23 VAL 31 3HG2 VAL 31 -2.403 18.279 -9.357 248 H ILE 32 H ILE 32 -5.586 16.545 -6.778 249 HA ILE 32 HA ILE 32 -3.569 14.461 -7.303 250 HB ILE 32 HB ILE 32 -4.770 13.144 -5.498 251 HG12 ILE 32 2HG1 ILE 32 -5.813 15.887 -4.761 252 HG13 ILE 32 3HG1 ILE 32 -6.792 14.597 -5.453 253 HG21 ILE 32 1HG2 ILE 32 -3.725 15.008 -3.749 254 HG22 ILE 32 2HG2 ILE 32 -2.838 13.706 -4.541 255 HG23 ILE 32 3HG2 ILE 32 -2.863 15.318 -5.256 256 HD11 ILE 32 1HD1 ILE 32 -6.951 13.504 -3.502 257 HD12 ILE 32 2HD1 ILE 32 -5.291 13.875 -3.035 258 HD13 ILE 32 3HD1 ILE 32 -6.560 15.081 -2.817 259 H SER 33 H SER 33 -4.136 12.879 -8.653 260 HA SER 33 HA SER 33 -6.876 12.842 -9.666 261 HB2 SER 33 2HB SER 33 -4.234 11.892 -10.697 262 HB3 SER 33 3HB SER 33 -5.704 11.126 -11.299 263 HG SER 33 HG SER 33 -5.759 12.777 -12.597 264 H ILE 34 H ILE 34 -8.290 11.415 -8.932 265 HA ILE 34 HA ILE 34 -7.470 8.696 -8.339 266 HB ILE 34 HB ILE 34 -7.134 9.713 -6.178 267 HG12 ILE 34 2HG1 ILE 34 -9.753 8.197 -6.246 268 HG13 ILE 34 3HG1 ILE 34 -8.150 7.470 -6.238 269 HG21 ILE 34 1HG2 ILE 34 -9.772 10.494 -5.451 270 HG22 ILE 34 2HG2 ILE 34 -8.306 11.471 -5.505 271 HG23 ILE 34 3HG2 ILE 34 -9.326 11.331 -6.937 272 HD11 ILE 34 1HD1 ILE 34 -9.341 9.143 -4.039 273 HD12 ILE 34 2HD1 ILE 34 -9.160 7.388 -4.038 274 HD13 ILE 34 3HD1 ILE 34 -7.732 8.422 -4.031 275 H ALA 35 H ALA 35 -9.118 7.210 -8.527 276 HA ALA 35 HA ALA 35 -11.399 8.021 -10.032 277 HB1 ALA 35 1HB ALA 35 -11.397 5.332 -8.817 278 HB2 ALA 35 2HB ALA 35 -11.679 5.826 -10.486 279 HB3 ALA 35 3HB ALA 35 -10.032 5.716 -9.865 280 H GLU 36 H GLU 36 -13.598 7.875 -9.468 281 HA GLU 36 HA GLU 36 -14.272 8.852 -6.931 282 HB2 GLU 36 2HB GLU 36 -15.581 8.934 -9.176 283 HB3 GLU 36 3HB GLU 36 -16.246 7.392 -8.657 284 HG2 GLU 36 2HG GLU 36 -16.849 8.624 -6.483 285 HG3 GLU 36 3HG GLU 36 -16.575 10.093 -7.417 286 H GLU 37 H GLU 37 -13.800 5.636 -8.068 287 HA GLU 37 HA GLU 37 -14.901 4.574 -5.549 288 HB2 GLU 37 2HB GLU 37 -15.168 3.694 -8.309 289 HB3 GLU 37 3HB GLU 37 -14.567 2.412 -7.267 290 HG2 GLU 37 2HG GLU 37 -16.874 2.155 -7.215 291 HG3 GLU 37 3HG GLU 37 -16.503 3.003 -5.715 292 H ALA 38 H ALA 38 -12.101 5.501 -6.767 293 HA ALA 38 HA ALA 38 -10.494 3.160 -6.199 294 HB1 ALA 38 1HB ALA 38 -8.609 4.908 -6.561 295 HB2 ALA 38 2HB ALA 38 -9.577 4.377 -7.937 296 HB3 ALA 38 3HB ALA 38 -9.914 5.928 -7.168 297 HA PRO 39 HA PRO 39 -9.612 3.956 -1.973 298 HB2 PRO 39 2HB PRO 39 -7.042 3.100 -1.795 299 HB3 PRO 39 3HB PRO 39 -8.411 1.997 -1.976 300 HG2 PRO 39 2HG PRO 39 -6.509 3.014 -4.053 301 HG3 PRO 39 3HG PRO 39 -7.140 1.373 -3.821 302 HD2 PRO 39 2HD PRO 39 -8.130 3.064 -5.689 303 HD3 PRO 39 3HD PRO 39 -9.138 1.858 -4.862 304 H LEU 40 H LEU 40 -8.405 5.280 -0.520 305 HA LEU 40 HA LEU 40 -7.743 7.814 -1.495 306 HB2 LEU 40 2HB LEU 40 -8.388 7.720 0.740 307 HB3 LEU 40 3HB LEU 40 -7.270 6.409 1.105 308 HG LEU 40 HG LEU 40 -6.103 9.027 0.331 309 HD11 LEU 40 1HD1 LEU 40 -6.312 9.888 2.599 310 HD12 LEU 40 2HD1 LEU 40 -7.316 8.508 3.042 311 HD13 LEU 40 3HD1 LEU 40 -7.898 9.677 1.856 312 HD21 LEU 40 1HD2 LEU 40 -4.640 8.263 2.341 313 HD22 LEU 40 2HD2 LEU 40 -4.481 7.450 0.785 314 HD23 LEU 40 3HD2 LEU 40 -5.418 6.702 2.079 315 H THR 41 H THR 41 -5.861 4.942 -1.221 316 HA THR 41 HA THR 41 -3.275 5.933 -1.013 317 HB THR 41 HB THR 41 -4.060 3.589 -2.748 318 HG1 THR 41 HG1 THR 41 -3.972 3.894 0.052 319 HG21 THR 41 1HG2 THR 41 -1.543 4.639 -1.637 320 HG22 THR 41 2HG2 THR 41 -1.823 3.632 -3.058 321 HG23 THR 41 3HG2 THR 41 -1.780 2.902 -1.453 322 H ALA 42 H ALA 42 -5.442 5.862 -3.755 323 HA ALA 42 HA ALA 42 -3.608 6.302 -5.822 324 HB1 ALA 42 1HB ALA 42 -5.926 7.698 -6.519 325 HB2 ALA 42 2HB ALA 42 -5.511 6.034 -6.934 326 HB3 ALA 42 3HB ALA 42 -6.465 6.371 -5.489 327 H ALA 43 H ALA 43 -5.427 8.634 -3.846 328 HA ALA 43 HA ALA 43 -4.231 10.917 -5.084 329 HB1 ALA 43 1HB ALA 43 -6.180 11.620 -4.204 330 HB2 ALA 43 2HB ALA 43 -6.153 10.419 -2.912 331 HB3 ALA 43 3HB ALA 43 -5.202 11.897 -2.763 332 H LEU 44 H LEU 44 -3.442 8.873 -2.382 333 HA LEU 44 HA LEU 44 -1.815 10.478 -0.848 334 HB2 LEU 44 2HB LEU 44 -2.451 7.855 -0.846 335 HB3 LEU 44 3HB LEU 44 -0.774 7.772 -1.381 336 HG LEU 44 HG LEU 44 -1.550 9.266 1.105 337 HD11 LEU 44 1HD1 LEU 44 -0.478 6.551 1.424 338 HD12 LEU 44 2HD1 LEU 44 -2.140 6.638 0.841 339 HD13 LEU 44 3HD1 LEU 44 -1.697 7.413 2.363 340 HD21 LEU 44 1HD2 LEU 44 0.944 8.337 -0.198 341 HD22 LEU 44 2HD2 LEU 44 0.881 8.280 1.563 342 HD23 LEU 44 3HD2 LEU 44 0.622 9.808 0.720 343 H ARG 45 H ARG 45 -1.197 9.111 -3.993 344 HA ARG 45 HA ARG 45 1.551 9.223 -4.167 345 HB2 ARG 45 2HB ARG 45 -0.679 9.473 -6.102 346 HB3 ARG 45 3HB ARG 45 0.892 10.046 -6.646 347 HG2 ARG 45 2HG ARG 45 1.367 7.564 -5.445 348 HG3 ARG 45 3HG ARG 45 -0.090 7.363 -6.421 349 HD2 ARG 45 2HD ARG 45 1.536 6.916 -7.978 350 HD3 ARG 45 3HD ARG 45 1.310 8.647 -8.223 351 HE ARG 45 HE ARG 45 3.460 8.964 -7.539 352 HH11 ARG 45 1HH1 ARG 45 2.369 5.871 -6.372 353 HH12 ARG 45 2HH1 ARG 45 3.914 5.422 -5.729 354 HH21 ARG 45 1HH2 ARG 45 5.499 8.385 -6.696 355 HH22 ARG 45 2HH2 ARG 45 5.694 6.853 -5.913 356 H PHE 46 H PHE 46 -0.711 11.837 -5.049 357 HA PHE 46 HA PHE 46 1.473 13.742 -5.151 358 HB2 PHE 46 2HB PHE 46 -1.299 13.635 -6.089 359 HB3 PHE 46 3HB PHE 46 -0.849 15.202 -5.425 360 HD1 PHE 46 HD1 PHE 46 1.740 15.802 -6.220 361 HD2 PHE 46 HD2 PHE 46 -1.165 13.551 -8.366 362 HE1 PHE 46 HE1 PHE 46 2.862 16.376 -8.333 363 HE2 PHE 46 HE2 PHE 46 -0.048 14.120 -10.483 364 HZ PHE 46 HZ PHE 46 1.969 15.534 -10.468 365 H ALA 47 H ALA 47 -1.179 12.876 -3.048 366 HA ALA 47 HA ALA 47 -1.257 15.165 -1.432 367 HB1 ALA 47 1HB ALA 47 -3.033 13.911 -0.871 368 HB2 ALA 47 2HB ALA 47 -2.211 12.396 -1.244 369 HB3 ALA 47 3HB ALA 47 -1.931 13.193 0.305 370 H ALA 48 H ALA 48 0.898 12.410 -1.453 371 HA ALA 48 HA ALA 48 2.033 12.648 1.084 372 HB1 ALA 48 1HB ALA 48 3.876 11.368 0.238 373 HB2 ALA 48 2HB ALA 48 2.391 10.758 -0.491 374 HB3 ALA 48 3HB ALA 48 3.469 11.796 -1.424 375 H GLU 49 H GLU 49 2.470 14.560 -1.783 376 HA GLU 49 HA GLU 49 4.902 15.814 -0.873 377 HB2 GLU 49 2HB GLU 49 3.090 16.806 -3.068 378 HB3 GLU 49 3HB GLU 49 4.812 17.100 -2.869 379 HG2 GLU 49 2HG GLU 49 3.421 14.623 -3.797 380 HG3 GLU 49 3HG GLU 49 4.707 15.539 -4.580 381 H GLU 50 H GLU 50 1.465 16.542 -0.880 382 HA GLU 50 HA GLU 50 1.573 19.247 -0.190 383 HB2 GLU 50 2HB GLU 50 -0.461 17.090 0.309 384 HB3 GLU 50 3HB GLU 50 -0.702 18.723 0.915 385 HG2 GLU 50 2HG GLU 50 -1.143 19.564 -1.124 386 HG3 GLU 50 3HG GLU 50 0.014 18.507 -1.931 387 H PHE 51 H PHE 51 1.909 16.358 1.760 388 HA PHE 51 HA PHE 51 2.144 18.008 4.180 389 HB2 PHE 51 2HB PHE 51 0.898 15.515 3.687 390 HB3 PHE 51 3HB PHE 51 2.279 15.194 4.731 391 HD1 PHE 51 HD1 PHE 51 -1.095 16.194 4.620 392 HD2 PHE 51 HD2 PHE 51 2.516 16.754 6.803 393 HE1 PHE 51 HE1 PHE 51 -2.393 16.964 6.563 394 HE2 PHE 51 HE2 PHE 51 1.223 17.524 8.749 395 HZ PHE 51 HZ PHE 51 -1.235 17.629 8.631 396 H GLY 52 H GLY 52 3.932 16.108 1.946 397 HA2 GLY 52 2HA GLY 52 6.184 15.697 1.763 398 HA3 GLY 52 3HA GLY 52 6.423 16.897 3.025 399 H ILE 53 H ILE 53 4.323 14.403 3.944 400 HA ILE 53 HA ILE 53 6.430 12.685 4.980 401 HB ILE 53 HB ILE 53 5.678 12.797 7.282 402 HG12 ILE 53 2HG1 ILE 53 3.816 14.999 6.366 403 HG13 ILE 53 3HG1 ILE 53 3.314 13.370 6.804 404 HG21 ILE 53 1HG2 ILE 53 7.406 14.403 6.353 405 HG22 ILE 53 2HG2 ILE 53 6.136 15.625 6.377 406 HG23 ILE 53 3HG2 ILE 53 6.651 14.859 7.879 407 HD11 ILE 53 1HD1 ILE 53 3.418 15.536 8.478 408 HD12 ILE 53 2HD1 ILE 53 3.334 13.846 8.975 409 HD13 ILE 53 3HD1 ILE 53 4.895 14.658 8.873 410 H ALA 54 H ALA 54 5.116 11.055 6.618 411 HA ALA 54 HA ALA 54 2.570 10.299 5.422 412 HB1 ALA 54 1HB ALA 54 4.791 8.275 5.560 413 HB2 ALA 54 2HB ALA 54 3.216 8.118 4.781 414 HB3 ALA 54 3HB ALA 54 4.429 9.204 4.105 415 H SER 55 H SER 55 1.701 10.784 7.467 416 HA SER 55 HA SER 55 1.463 8.639 9.242 417 HB2 SER 55 2HB SER 55 3.679 10.497 9.811 418 HB3 SER 55 3HB SER 55 2.605 10.192 11.176 419 HG SER 55 HG SER 55 4.423 8.698 10.900 420 H VAL 56 H VAL 56 1.833 12.081 10.044 421 HA VAL 56 HA VAL 56 -0.684 12.194 11.358 422 HB VAL 56 HB VAL 56 -0.281 14.562 11.622 423 HG11 VAL 56 1HG1 VAL 56 2.497 13.708 11.940 424 HG12 VAL 56 2HG1 VAL 56 1.331 14.254 13.147 425 HG13 VAL 56 3HG1 VAL 56 1.319 12.576 12.604 426 HG21 VAL 56 1HG2 VAL 56 1.252 14.209 9.203 427 HG22 VAL 56 2HG2 VAL 56 0.634 15.690 9.935 428 HG23 VAL 56 3HG2 VAL 56 2.195 15.043 10.439 429 H ASP 57 H ASP 57 0.295 12.581 8.091 430 HA ASP 57 HA ASP 57 -1.718 14.317 7.161 431 HB2 ASP 57 2HB ASP 57 -1.063 13.698 4.988 432 HB3 ASP 57 3HB ASP 57 0.402 13.518 5.950 433 H SER 58 H SER 58 -1.861 11.105 8.269 434 HA SER 58 HA SER 58 -3.941 10.043 6.724 435 HB2 SER 58 2HB SER 58 -2.402 9.006 8.634 436 HB3 SER 58 3HB SER 58 -3.811 9.373 9.628 437 HG SER 58 HG SER 58 -3.455 7.332 7.961 438 H MET 59 H MET 59 -3.949 12.432 9.216 439 HA MET 59 HA MET 59 -6.768 12.906 8.794 440 HB2 MET 59 2HB MET 59 -5.680 11.949 11.430 441 HB3 MET 59 3HB MET 59 -7.129 12.942 11.348 442 HG2 MET 59 2HG MET 59 -8.112 11.235 9.813 443 HG3 MET 59 3HG MET 59 -6.709 10.221 10.143 444 HE1 MET 59 1HE MET 59 -7.710 8.212 12.943 445 HE2 MET 59 2HE MET 59 -6.788 8.499 11.467 446 HE3 MET 59 3HE MET 59 -6.285 9.250 12.982 447 H ALA 60 H ALA 60 -5.771 14.828 7.910 448 HA ALA 60 HA ALA 60 -5.456 16.882 9.948 449 HB1 ALA 60 1HB ALA 60 -3.453 17.682 8.340 450 HB2 ALA 60 2HB ALA 60 -3.212 16.712 9.793 451 HB3 ALA 60 3HB ALA 60 -3.271 15.932 8.213 452 H ALA 61 H ALA 61 -7.630 17.188 8.905 453 HA ALA 61 HA ALA 61 -7.382 19.214 6.838 454 HB1 ALA 61 1HB ALA 61 -8.645 18.221 5.203 455 HB2 ALA 61 2HB ALA 61 -7.788 16.819 5.845 456 HB3 ALA 61 3HB ALA 61 -9.454 17.134 6.332 457 H THR 62 H THR 62 -9.246 20.562 6.651 458 HA THR 62 HA THR 62 -11.316 20.201 8.693 459 HB THR 62 HB THR 62 -11.080 22.793 9.039 460 HG1 THR 62 HG1 THR 62 -9.359 23.564 8.089 461 HG21 THR 62 1HG2 THR 62 -9.386 20.646 10.289 462 HG22 THR 62 2HG2 THR 62 -10.864 21.383 10.908 463 HG23 THR 62 3HG2 THR 62 -9.363 22.309 10.874 464 H THR 63 H THR 63 -13.308 20.834 8.063 465 HA THR 63 HA THR 63 -13.562 21.896 5.345 466 HB THR 63 HB THR 63 -14.778 19.819 5.831 467 HG1 THR 63 HG1 THR 63 -16.885 20.648 5.163 468 HG21 THR 63 1HG2 THR 63 -15.236 20.827 8.297 469 HG22 THR 63 2HG2 THR 63 -16.170 19.511 7.587 470 HG23 THR 63 3HG2 THR 63 -16.784 21.162 7.524 471 H LYS 64 H LYS 64 -15.356 23.438 4.936 472 HA LYS 64 HA LYS 64 -15.080 25.746 6.524 473 HB2 LYS 64 2HB LYS 64 -16.483 26.802 4.997 474 HB3 LYS 64 3HB LYS 64 -15.782 25.504 4.040 475 HG2 LYS 64 2HG LYS 64 -18.480 25.394 5.371 476 HG3 LYS 64 3HG LYS 64 -18.200 25.783 3.672 477 HD2 LYS 64 2HD LYS 64 -17.436 23.199 5.031 478 HD3 LYS 64 3HD LYS 64 -18.837 23.432 3.983 479 HE2 LYS 64 2HE LYS 64 -16.569 24.390 2.591 480 HE3 LYS 64 3HE LYS 64 -16.139 22.822 3.273 481 HZ1 LYS 64 1HZ LYS 64 -18.708 22.616 2.202 482 HZ2 LYS 64 2HZ LYS 64 -17.292 21.863 1.665 483 HZ3 LYS 64 3HZ LYS 64 -17.740 23.368 1.036 484 H ASP 65 H ASP 65 -17.027 22.994 6.910 485 HA ASP 65 HA ASP 65 -19.043 24.372 8.503 486 HB2 ASP 65 2HB ASP 65 -19.251 22.225 6.867 487 HB3 ASP 65 3HB ASP 65 -19.020 21.415 8.414 488 H GLY 66 H GLY 66 -16.098 22.651 8.900 489 HA2 GLY 66 2HA GLY 66 -15.428 23.266 11.391 490 HA3 GLY 66 3HA GLY 66 -16.629 22.020 11.699 491 H THR 67 H THR 67 -15.846 20.050 11.973 492 HA THR 67 HA THR 67 -13.131 19.408 11.642 493 HB THR 67 HB THR 67 -14.469 16.964 11.637 494 HG1 THR 67 HG1 THR 67 -16.210 17.221 12.975 495 HG21 THR 67 1HG2 THR 67 -13.502 18.680 13.925 496 HG22 THR 67 2HG2 THR 67 -12.577 17.466 13.041 497 HG23 THR 67 3HG2 THR 67 -13.923 16.974 14.068 498 H GLY 68 H GLY 68 -11.988 18.538 10.006 499 HA2 GLY 68 2HA GLY 68 -13.479 17.883 7.541 500 HA3 GLY 68 3HA GLY 68 -11.868 18.585 7.561 501 H ILE 69 H ILE 69 -12.320 16.237 9.960 502 HA ILE 69 HA ILE 69 -10.540 14.422 8.567 503 HB ILE 69 HB ILE 69 -11.705 14.267 11.350 504 HG12 ILE 69 2HG1 ILE 69 -8.879 14.938 10.521 505 HG13 ILE 69 3HG1 ILE 69 -10.104 16.164 10.830 506 HG21 ILE 69 1HG2 ILE 69 -9.949 12.562 11.730 507 HG22 ILE 69 2HG2 ILE 69 -11.172 12.056 10.565 508 HG23 ILE 69 3HG2 ILE 69 -9.589 12.595 10.004 509 HD11 ILE 69 1HD1 ILE 69 -8.922 16.029 12.820 510 HD12 ILE 69 2HD1 ILE 69 -10.354 15.043 13.121 511 HD13 ILE 69 3HD1 ILE 69 -8.813 14.270 12.749 512 H ASN 70 H ASN 70 -11.154 12.667 7.493 513 HA ASN 70 HA ASN 70 -13.927 11.741 7.807 514 HB2 ASN 70 2HB ASN 70 -12.229 10.886 5.504 515 HB3 ASN 70 3HB ASN 70 -13.965 11.173 5.570 516 HD21 ASN 70 1HD2 ASN 70 -14.719 13.033 4.822 517 HD22 ASN 70 2HD2 ASN 70 -13.760 14.409 4.408 518 HA PRO 71 HA PRO 71 -12.671 7.857 9.421 519 HB2 PRO 71 2HB PRO 71 -14.509 6.192 8.317 520 HB3 PRO 71 3HB PRO 71 -14.902 7.339 9.603 521 HG2 PRO 71 2HG PRO 71 -15.334 7.581 6.651 522 HG3 PRO 71 3HG PRO 71 -16.426 8.011 7.980 523 HD2 PRO 71 2HD PRO 71 -14.947 9.853 6.657 524 HD3 PRO 71 3HD PRO 71 -15.359 10.015 8.376 525 H ALA 72 H ALA 72 -13.519 7.616 5.961 526 HA ALA 72 HA ALA 72 -11.296 5.721 5.619 527 HB1 ALA 72 1HB ALA 72 -13.820 5.296 4.915 528 HB2 ALA 72 2HB ALA 72 -13.284 6.130 3.456 529 HB3 ALA 72 3HB ALA 72 -12.465 4.659 3.982 530 H GLN 73 H GLN 73 -12.539 8.819 4.658 531 HA GLN 73 HA GLN 73 -11.690 10.506 3.391 532 HB2 GLN 73 2HB GLN 73 -9.080 9.040 3.815 533 HB3 GLN 73 3HB GLN 73 -9.247 10.703 3.270 534 HG2 GLN 73 2HG GLN 73 -10.245 11.327 5.388 535 HG3 GLN 73 3HG GLN 73 -10.163 9.653 5.937 536 HE21 GLN 73 1HE2 GLN 73 -8.753 12.533 6.284 537 HE22 GLN 73 2HE2 GLN 73 -7.138 12.054 6.665 538 H THR 74 H THR 74 -12.603 8.003 2.113 539 HA THR 74 HA THR 74 -10.928 7.542 -0.165 540 HB THR 74 HB THR 74 -13.838 6.816 -0.106 541 HG1 THR 74 HG1 THR 74 -13.100 4.884 1.059 542 HG21 THR 74 1HG2 THR 74 -12.815 6.151 -2.105 543 HG22 THR 74 2HG2 THR 74 -12.779 4.695 -1.110 544 HG23 THR 74 3HG2 THR 74 -11.325 5.676 -1.291 545 H ALA 75 H ALA 75 -11.680 7.860 -2.405 546 HA ALA 75 HA ALA 75 -12.261 10.555 -2.932 547 HB1 ALA 75 1HB ALA 75 -12.912 8.755 -5.127 548 HB2 ALA 75 2HB ALA 75 -11.695 10.029 -5.027 549 HB3 ALA 75 3HB ALA 75 -11.341 8.419 -4.399 550 H GLY 76 H GLY 76 -14.310 7.655 -3.139 551 HA2 GLY 76 2HA GLY 76 -16.620 9.012 -4.064 552 HA3 GLY 76 3HA GLY 76 -16.589 7.419 -3.322 553 H ASN 77 H ASN 77 -15.448 8.226 -0.830 554 HA ASN 77 HA ASN 77 -17.829 9.038 0.509 555 HB2 ASN 77 2HB ASN 77 -15.807 7.537 1.312 556 HB3 ASN 77 3HB ASN 77 -15.171 9.078 1.878 557 HD21 ASN 77 1HD2 ASN 77 -16.518 6.509 3.039 558 HD22 ASN 77 2HD2 ASN 77 -17.580 7.161 4.236 559 H VAL 78 H VAL 78 -14.710 10.597 -0.134 560 HA VAL 78 HA VAL 78 -15.342 13.008 1.242 561 HB VAL 78 HB VAL 78 -13.266 12.480 -0.890 562 HG11 VAL 78 1HG1 VAL 78 -14.155 14.932 0.278 563 HG12 VAL 78 2HG1 VAL 78 -12.503 14.600 0.804 564 HG13 VAL 78 3HG1 VAL 78 -12.886 14.667 -0.917 565 HG21 VAL 78 1HG2 VAL 78 -12.435 12.901 1.889 566 HG22 VAL 78 2HG2 VAL 78 -13.376 11.433 1.624 567 HG23 VAL 78 3HG2 VAL 78 -11.893 11.707 0.710 568 H PHE 79 H PHE 79 -15.536 11.977 -2.133 569 HA PHE 79 HA PHE 79 -16.123 14.402 -3.339 570 HB2 PHE 79 2HB PHE 79 -15.690 12.347 -4.604 571 HB3 PHE 79 3HB PHE 79 -17.213 11.668 -4.040 572 HD1 PHE 79 HD1 PHE 79 -15.802 14.504 -5.978 573 HD2 PHE 79 HD2 PHE 79 -19.164 11.997 -5.252 574 HE1 PHE 79 HE1 PHE 79 -16.954 15.495 -7.913 575 HE2 PHE 79 HE2 PHE 79 -20.321 12.983 -7.187 576 HZ PHE 79 HZ PHE 79 -19.216 14.734 -8.521 577 H MET 80 H MET 80 -18.191 12.252 -1.499 578 HA MET 80 HA MET 80 -20.529 13.915 -2.057 579 HB2 MET 80 2HB MET 80 -20.328 11.235 -1.849 580 HB3 MET 80 3HB MET 80 -20.735 11.628 -0.184 581 HG2 MET 80 2HG MET 80 -22.682 12.944 -1.109 582 HG3 MET 80 3HG MET 80 -22.329 12.192 -2.663 583 HE1 MET 80 1HE MET 80 -24.571 10.751 0.847 584 HE2 MET 80 2HE MET 80 -22.883 10.426 1.245 585 HE3 MET 80 3HE MET 80 -23.385 12.055 0.791 586 H LYS 81 H LYS 81 -18.101 13.490 0.295 587 HA LYS 81 HA LYS 81 -19.633 14.479 2.528 588 HB2 LYS 81 2HB LYS 81 -17.723 12.909 2.802 589 HB3 LYS 81 3HB LYS 81 -16.638 14.176 2.245 590 HG2 LYS 81 2HG LYS 81 -16.421 14.352 4.520 591 HG3 LYS 81 3HG LYS 81 -17.681 15.546 4.200 592 HD2 LYS 81 2HD LYS 81 -18.409 14.287 6.072 593 HD3 LYS 81 3HD LYS 81 -19.362 13.728 4.695 594 HE2 LYS 81 2HE LYS 81 -18.163 11.724 4.536 595 HE3 LYS 81 3HE LYS 81 -16.829 12.341 5.508 596 HZ1 LYS 81 1HZ LYS 81 -19.474 12.155 6.749 597 HZ2 LYS 81 2HZ LYS 81 -17.943 11.971 7.443 598 HZ3 LYS 81 3HZ LYS 81 -18.605 10.722 6.513 599 H TYR 82 H TYR 82 -16.824 15.744 0.723 600 HA TYR 82 HA TYR 82 -17.802 18.460 1.317 601 HB2 TYR 82 2HB TYR 82 -14.916 17.596 1.044 602 HB3 TYR 82 3HB TYR 82 -15.486 19.221 1.409 603 HD1 TYR 82 HD1 TYR 82 -13.876 16.670 2.878 604 HD2 TYR 82 HD2 TYR 82 -17.417 18.953 3.471 605 HE1 TYR 82 HE1 TYR 82 -13.802 16.149 5.281 606 HE2 TYR 82 HE2 TYR 82 -17.352 18.439 5.876 607 HH TYR 82 HH TYR 82 -16.073 16.197 7.243 608 H GLY 83 H GLY 83 -16.488 16.246 -1.021 609 HA2 GLY 83 2HA GLY 83 -16.169 16.401 -3.292 610 HA3 GLY 83 3HA GLY 83 -17.558 17.477 -3.247 611 H GLN 84 H GLN 84 -14.039 17.413 -2.800 612 HA GLN 84 HA GLN 84 -12.435 19.001 -3.123 613 HB2 GLN 84 2HB GLN 84 -14.269 20.047 -5.278 614 HB3 GLN 84 3HB GLN 84 -12.515 20.155 -5.214 615 HG2 GLN 84 2HG GLN 84 -12.412 17.682 -5.400 616 HG3 GLN 84 3HG GLN 84 -14.161 17.671 -5.622 617 HE21 GLN 84 1HE2 GLN 84 -14.139 16.865 -7.676 618 HE22 GLN 84 2HE2 GLN 84 -13.532 17.741 -9.035 619 H GLU 85 H GLU 85 -13.408 19.806 -0.972 620 HA GLU 85 HA GLU 85 -13.521 22.660 -1.118 621 HB2 GLU 85 2HB GLU 85 -15.961 21.504 -1.424 622 HB3 GLU 85 3HB GLU 85 -15.894 21.664 0.326 623 HG2 GLU 85 2HG GLU 85 -15.982 23.927 0.267 624 HG3 GLU 85 3HG GLU 85 -15.132 24.032 -1.274 625 H ILE 86 H ILE 86 -11.766 20.860 0.090 626 HA ILE 86 HA ILE 86 -12.224 21.465 2.936 627 HB ILE 86 HB ILE 86 -12.519 19.041 2.490 628 HG12 ILE 86 2HG1 ILE 86 -9.992 19.106 4.023 629 HG13 ILE 86 3HG1 ILE 86 -11.228 20.240 4.555 630 HG21 ILE 86 1HG2 ILE 86 -10.794 17.669 1.691 631 HG22 ILE 86 2HG2 ILE 86 -10.790 19.065 0.615 632 HG23 ILE 86 3HG2 ILE 86 -9.580 18.932 1.890 633 HD11 ILE 86 1HD1 ILE 86 -12.714 18.543 5.108 634 HD12 ILE 86 2HD1 ILE 86 -11.860 17.348 4.131 635 HD13 ILE 86 3HD1 ILE 86 -11.149 17.927 5.637 636 H ARG 87 H ARG 87 -10.380 21.951 4.174 637 HA ARG 87 HA ARG 87 -8.069 22.793 2.564 638 HB2 ARG 87 2HB ARG 87 -9.613 24.155 4.489 639 HB3 ARG 87 3HB ARG 87 -8.052 23.851 5.240 640 HG2 ARG 87 2HG ARG 87 -8.132 26.019 4.109 641 HG3 ARG 87 3HG ARG 87 -6.918 24.948 3.405 642 HD2 ARG 87 2HD ARG 87 -8.167 24.587 1.484 643 HD3 ARG 87 3HD ARG 87 -9.679 25.057 2.260 644 HE ARG 87 HE ARG 87 -7.796 26.783 0.958 645 HH11 ARG 87 1HH1 ARG 87 -10.266 26.599 3.405 646 HH12 ARG 87 2HH1 ARG 87 -10.655 28.285 3.324 647 HH21 ARG 87 1HH2 ARG 87 -8.300 29.004 0.842 648 HH22 ARG 87 2HH2 ARG 87 -9.537 29.652 1.866 649 H LEU 88 H LEU 88 -5.971 22.333 3.239 650 HA LEU 88 HA LEU 88 -5.742 19.950 4.890 651 HB2 LEU 88 2HB LEU 88 -4.091 21.307 2.855 652 HB3 LEU 88 3HB LEU 88 -3.212 20.466 4.130 653 HG LEU 88 HG LEU 88 -5.363 18.998 2.685 654 HD11 LEU 88 1HD1 LEU 88 -3.828 20.264 1.038 655 HD12 LEU 88 2HD1 LEU 88 -4.094 18.537 0.802 656 HD13 LEU 88 3HD1 LEU 88 -2.599 19.105 1.544 657 HD21 LEU 88 1HD2 LEU 88 -4.235 17.128 3.374 658 HD22 LEU 88 2HD2 LEU 88 -3.829 18.242 4.681 659 HD23 LEU 88 3HD2 LEU 88 -2.669 17.940 3.386 660 H ILE 89 H ILE 89 -5.500 20.187 7.007 661 HA ILE 89 HA ILE 89 -3.613 22.213 7.984 662 HB ILE 89 HB ILE 89 -5.899 23.088 8.305 663 HG12 ILE 89 2HG1 ILE 89 -4.480 22.283 10.854 664 HG13 ILE 89 3HG1 ILE 89 -4.131 23.707 9.880 665 HG21 ILE 89 1HG2 ILE 89 -6.301 20.713 10.117 666 HG22 ILE 89 2HG2 ILE 89 -7.451 22.012 9.806 667 HG23 ILE 89 3HG2 ILE 89 -7.016 20.893 8.515 668 HD11 ILE 89 1HD1 ILE 89 -6.439 23.162 11.680 669 HD12 ILE 89 2HD1 ILE 89 -5.406 24.588 11.567 670 HD13 ILE 89 3HD1 ILE 89 -6.627 24.282 10.331 671 HA PRO 90 HA PRO 90 -1.997 18.699 10.136 672 HB2 PRO 90 2HB PRO 90 -0.268 20.048 11.736 673 HB3 PRO 90 3HB PRO 90 0.034 19.766 10.018 674 HG2 PRO 90 2HG PRO 90 -1.024 22.213 11.379 675 HG3 PRO 90 3HG PRO 90 0.175 22.086 10.079 676 HD2 PRO 90 2HD PRO 90 -2.410 22.743 9.616 677 HD3 PRO 90 3HD PRO 90 -1.433 21.830 8.448 678 H ARG 91 H ARG 91 -3.581 17.864 11.431 679 HA ARG 91 HA ARG 91 -4.008 19.190 14.028 680 HB2 ARG 91 2HB ARG 91 -5.900 18.352 12.073 681 HB3 ARG 91 3HB ARG 91 -6.090 17.318 13.483 682 HG2 ARG 91 2HG ARG 91 -5.970 19.685 14.712 683 HG3 ARG 91 3HG ARG 91 -6.623 20.203 13.157 684 HD2 ARG 91 2HD ARG 91 -8.631 19.362 13.631 685 HD3 ARG 91 3HD ARG 91 -7.938 17.813 14.111 686 HE ARG 91 HE ARG 91 -7.421 19.440 16.224 687 HH11 ARG 91 1HH1 ARG 91 -10.301 18.587 14.463 688 HH12 ARG 91 2HH1 ARG 91 -11.349 18.775 15.829 689 HH21 ARG 91 1HH2 ARG 91 -8.792 19.692 18.030 690 HH22 ARG 91 2HH2 ARG 91 -10.490 19.405 17.858 691 H ASP 92 H ASP 92 -4.487 17.727 15.833 692 HA ASP 92 HA ASP 92 -3.983 15.970 17.188 693 HB2 ASP 92 2HB ASP 92 -5.164 14.817 15.090 694 HB3 ASP 92 3HB ASP 92 -3.562 14.108 14.904 695 H ARG 93 H ARG 93 -1.884 17.668 16.099 696 HA ARG 93 HA ARG 93 0.375 15.914 16.688 697 HB2 ARG 93 2HB ARG 93 0.138 16.028 14.202 698 HB3 ARG 93 3HB ARG 93 0.371 17.768 14.302 699 HG2 ARG 93 2HG ARG 93 2.597 17.426 15.237 700 HG3 ARG 93 3HG ARG 93 2.364 15.678 15.156 701 HD2 ARG 93 2HD ARG 93 2.947 15.631 13.009 702 HD3 ARG 93 3HD ARG 93 1.799 16.909 12.612 703 HE ARG 93 HE ARG 93 3.516 18.427 12.661 704 HH11 ARG 93 1HH1 ARG 93 4.566 15.448 14.125 705 HH12 ARG 93 2HH1 ARG 93 6.226 15.932 14.227 706 HH21 ARG 93 1HH2 ARG 93 5.699 19.075 12.789 707 HH22 ARG 93 2HH2 ARG 93 6.870 17.995 13.468 708 H VAL 94 H VAL 94 -0.548 19.255 15.862 709 HA VAL 94 HA VAL 94 1.494 20.261 17.697 710 HB VAL 94 HB VAL 94 -0.294 21.763 15.780 711 HG11 VAL 94 1HG1 VAL 94 0.255 23.549 16.994 712 HG12 VAL 94 2HG1 VAL 94 1.430 22.636 17.943 713 HG13 VAL 94 3HG1 VAL 94 1.898 23.336 16.393 714 HG21 VAL 94 1HG2 VAL 94 2.105 22.123 14.744 715 HG22 VAL 94 2HG2 VAL 94 2.432 20.591 15.554 716 HG23 VAL 94 3HG2 VAL 94 1.144 20.697 14.353 717 H GLY 95 H GLY 95 -1.994 20.173 17.245 718 HA2 GLY 95 2HA GLY 95 -2.650 21.987 19.327 719 HA3 GLY 95 3HA GLY 95 -3.733 20.803 18.610 Start of MODEL 7 1 H1 MET 1 H MET 1 1.075 -8.467 -1.631 2 HA MET 1 HA MET 1 -1.128 -7.802 -1.103 3 HB2 MET 1 2HB MET 1 0.308 -5.267 -0.402 4 HB3 MET 1 3HB MET 1 -1.422 -5.231 -0.718 5 HG2 MET 1 2HG MET 1 -1.699 -6.990 1.028 6 HG3 MET 1 3HG MET 1 0.009 -6.794 1.413 7 HE1 MET 1 1HE MET 1 -2.986 -4.343 0.571 8 HE2 MET 1 2HE MET 1 -3.576 -5.446 1.814 9 HE3 MET 1 3HE MET 1 -3.341 -3.738 2.189 10 H SER 2 H SER 2 0.432 -4.967 -2.586 11 HA SER 2 HA SER 2 -0.239 -5.659 -5.247 12 HB2 SER 2 2HB SER 2 -2.455 -4.841 -3.869 13 HB3 SER 2 3HB SER 2 -1.889 -3.319 -4.556 14 HG SER 2 HG SER 2 -3.369 -4.718 -5.859 15 H GLN 3 H GLN 3 1.256 -4.673 -6.418 16 HA GLN 3 HA GLN 3 2.743 -2.454 -5.355 17 HB2 GLN 3 2HB GLN 3 2.900 -3.946 -7.975 18 HB3 GLN 3 3HB GLN 3 3.974 -2.620 -7.551 19 HG2 GLN 3 2HG GLN 3 5.287 -3.981 -6.412 20 HG3 GLN 3 3HG GLN 3 3.933 -4.531 -5.426 21 HE21 GLN 3 1HE2 GLN 3 4.377 -6.662 -5.346 22 HE22 GLN 3 2HE2 GLN 3 4.428 -7.701 -6.725 23 H ASN 4 H ASN 4 1.285 -0.740 -5.234 24 HA ASN 4 HA ASN 4 0.342 0.303 -7.823 25 HB2 ASN 4 2HB ASN 4 -1.256 1.650 -6.281 26 HB3 ASN 4 3HB ASN 4 -1.603 -0.050 -6.582 27 HD21 ASN 4 1HD2 ASN 4 -2.701 -0.442 -4.723 28 HD22 ASN 4 2HD2 ASN 4 -1.978 -0.399 -3.155 29 H GLU 5 H GLU 5 0.889 2.336 -8.426 30 HA GLU 5 HA GLU 5 2.238 4.072 -6.493 31 HB2 GLU 5 2HB GLU 5 3.792 2.595 -8.062 32 HB3 GLU 5 3HB GLU 5 3.435 3.873 -9.215 33 HG2 GLU 5 2HG GLU 5 4.260 5.530 -7.585 34 HG3 GLU 5 3HG GLU 5 4.695 4.208 -6.503 35 H GLU 6 H GLU 6 1.270 3.865 -9.921 36 HA GLU 6 HA GLU 6 -0.215 6.361 -9.604 37 HB2 GLU 6 2HB GLU 6 0.743 7.240 -11.731 38 HB3 GLU 6 3HB GLU 6 1.909 7.139 -10.419 39 HG2 GLU 6 2HG GLU 6 2.574 4.887 -11.422 40 HG3 GLU 6 3HG GLU 6 1.668 5.400 -12.845 41 H ALA 7 H ALA 7 -2.211 5.854 -10.198 42 HA ALA 7 HA ALA 7 -2.873 3.646 -11.838 43 HB1 ALA 7 1HB ALA 7 -4.933 4.011 -11.077 44 HB2 ALA 7 2HB ALA 7 -4.245 5.322 -10.119 45 HB3 ALA 7 3HB ALA 7 -4.952 5.662 -11.699 46 HA PRO 8 HA PRO 8 -2.752 5.221 -15.932 47 HB2 PRO 8 2HB PRO 8 -4.979 4.136 -17.042 48 HB3 PRO 8 3HB PRO 8 -3.545 3.184 -16.638 49 HG2 PRO 8 2HG PRO 8 -6.100 3.503 -15.110 50 HG3 PRO 8 3HG PRO 8 -5.154 2.034 -15.414 51 HD2 PRO 8 2HD PRO 8 -5.037 3.383 -13.069 52 HD3 PRO 8 3HD PRO 8 -3.645 2.508 -13.738 53 H ALA 9 H ALA 9 -5.919 5.537 -14.361 54 HA ALA 9 HA ALA 9 -7.486 7.188 -14.386 55 HB1 ALA 9 1HB ALA 9 -5.116 8.437 -14.010 56 HB2 ALA 9 2HB ALA 9 -5.695 9.257 -15.460 57 HB3 ALA 9 3HB ALA 9 -6.680 9.252 -13.997 58 H ARG 10 H ARG 10 -7.189 5.571 -16.735 59 HA ARG 10 HA ARG 10 -8.052 7.478 -18.810 60 HB2 ARG 10 2HB ARG 10 -7.256 5.923 -20.488 61 HB3 ARG 10 3HB ARG 10 -5.954 6.293 -19.367 62 HG2 ARG 10 2HG ARG 10 -6.725 4.130 -18.159 63 HG3 ARG 10 3HG ARG 10 -7.499 3.763 -19.702 64 HD2 ARG 10 2HD ARG 10 -4.607 4.552 -19.516 65 HD3 ARG 10 3HD ARG 10 -5.131 2.880 -19.325 66 HE ARG 10 HE ARG 10 -4.904 4.328 -21.763 67 HH11 ARG 10 1HH1 ARG 10 -6.762 1.866 -20.148 68 HH12 ARG 10 2HH1 ARG 10 -7.244 1.083 -21.616 69 HH21 ARG 10 1HH2 ARG 10 -5.532 3.305 -23.703 70 HH22 ARG 10 2HH2 ARG 10 -6.543 1.902 -23.638 71 H SER 11 H SER 11 -8.734 4.523 -17.095 72 HA SER 11 HA SER 11 -11.284 4.285 -18.552 73 HB2 SER 11 2HB SER 11 -9.353 2.285 -17.572 74 HB3 SER 11 3HB SER 11 -11.042 1.907 -17.230 75 HG SER 11 HG SER 11 -10.397 1.101 -19.264 76 H GLY 12 H GLY 12 -13.170 3.701 -17.321 77 HA2 GLY 12 2HA GLY 12 -14.410 3.492 -15.330 78 HA3 GLY 12 3HA GLY 12 -13.004 4.030 -14.424 79 H GLY 13 H GLY 13 -13.175 5.979 -13.551 80 HA2 GLY 13 2HA GLY 13 -14.824 7.988 -14.952 81 HA3 GLY 13 3HA GLY 13 -14.974 7.733 -13.220 82 H LYS 14 H LYS 14 -14.499 10.203 -13.705 83 HA LYS 14 HA LYS 14 -11.704 10.582 -12.958 84 HB2 LYS 14 2HB LYS 14 -12.968 11.576 -15.446 85 HB3 LYS 14 3HB LYS 14 -11.979 12.734 -14.565 86 HG2 LYS 14 2HG LYS 14 -10.266 10.722 -14.555 87 HG3 LYS 14 3HG LYS 14 -11.190 10.250 -15.983 88 HD2 LYS 14 2HD LYS 14 -10.477 12.037 -17.202 89 HD3 LYS 14 3HD LYS 14 -10.342 13.086 -15.789 90 HE2 LYS 14 2HE LYS 14 -8.256 12.215 -15.198 91 HE3 LYS 14 3HE LYS 14 -8.473 10.777 -16.194 92 HZ1 LYS 14 1HZ LYS 14 -8.304 13.476 -17.388 93 HZ2 LYS 14 2HZ LYS 14 -8.072 11.978 -18.137 94 HZ3 LYS 14 3HZ LYS 14 -6.916 12.569 -17.053 95 H VAL 15 H VAL 15 -11.411 12.151 -11.463 96 HA VAL 15 HA VAL 15 -13.595 14.043 -10.956 97 HB VAL 15 HB VAL 15 -12.281 12.384 -8.800 98 HG11 VAL 15 1HG1 VAL 15 -14.141 14.721 -8.744 99 HG12 VAL 15 2HG1 VAL 15 -14.210 13.508 -7.464 100 HG13 VAL 15 3HG1 VAL 15 -12.716 14.399 -7.758 101 HG21 VAL 15 1HG2 VAL 15 -14.636 11.551 -8.468 102 HG22 VAL 15 2HG2 VAL 15 -15.034 12.296 -10.016 103 HG23 VAL 15 3HG2 VAL 15 -13.838 11.002 -9.941 104 H THR 16 H THR 16 -12.969 16.006 -10.087 105 HA THR 16 HA THR 16 -10.058 16.454 -9.973 106 HB THR 16 HB THR 16 -10.927 17.714 -11.792 107 HG1 THR 16 HG1 THR 16 -9.764 19.316 -11.063 108 HG21 THR 16 1HG2 THR 16 -12.812 19.262 -11.577 109 HG22 THR 16 2HG2 THR 16 -13.029 18.771 -9.897 110 HG23 THR 16 3HG2 THR 16 -13.300 17.611 -11.198 111 H PHE 17 H PHE 17 -9.194 17.185 -8.135 112 HA PHE 17 HA PHE 17 -10.934 18.468 -6.152 113 HB2 PHE 17 2HB PHE 17 -9.120 16.103 -5.688 114 HB3 PHE 17 3HB PHE 17 -9.671 17.140 -4.376 115 HD1 PHE 17 HD1 PHE 17 -12.443 17.668 -5.100 116 HD2 PHE 17 HD2 PHE 17 -10.180 14.074 -5.392 117 HE1 PHE 17 HE1 PHE 17 -14.516 16.353 -4.931 118 HE2 PHE 17 HE2 PHE 17 -12.249 12.754 -5.224 119 HZ PHE 17 HZ PHE 17 -14.421 13.892 -4.994 120 H ARG 18 H ARG 18 -10.064 20.230 -5.251 121 HA ARG 18 HA ARG 18 -7.282 20.864 -5.909 122 HB2 ARG 18 2HB ARG 18 -9.465 22.664 -4.842 123 HB3 ARG 18 3HB ARG 18 -7.870 23.175 -5.378 124 HG2 ARG 18 2HG ARG 18 -8.623 23.403 -7.443 125 HG3 ARG 18 3HG ARG 18 -9.078 21.698 -7.480 126 HD2 ARG 18 2HD ARG 18 -11.120 22.650 -7.848 127 HD3 ARG 18 3HD ARG 18 -11.138 22.578 -6.086 128 HE ARG 18 HE ARG 18 -10.074 25.013 -6.600 129 HH11 ARG 18 1HH1 ARG 18 -12.963 23.385 -7.661 130 HH12 ARG 18 2HH1 ARG 18 -13.876 24.847 -7.842 131 HH21 ARG 18 1HH2 ARG 18 -11.266 26.943 -6.833 132 HH22 ARG 18 2HH2 ARG 18 -12.910 26.870 -7.371 133 H ILE 19 H ILE 19 -5.782 20.525 -4.420 134 HA ILE 19 HA ILE 19 -6.568 20.441 -1.594 135 HB ILE 19 HB ILE 19 -4.323 19.377 -1.251 136 HG12 ILE 19 2HG1 ILE 19 -3.980 18.491 -3.971 137 HG13 ILE 19 3HG1 ILE 19 -3.925 20.249 -3.903 138 HG21 ILE 19 1HG2 ILE 19 -6.635 18.235 -1.811 139 HG22 ILE 19 2HG2 ILE 19 -5.762 17.715 -3.251 140 HG23 ILE 19 3HG2 ILE 19 -5.156 17.287 -1.651 141 HD11 ILE 19 1HD1 ILE 19 -2.342 19.516 -1.792 142 HD12 ILE 19 2HD1 ILE 19 -1.989 18.280 -3.001 143 HD13 ILE 19 3HD1 ILE 19 -1.778 19.986 -3.395 144 H ILE 20 H ILE 20 -6.197 22.187 -0.414 145 HA ILE 20 HA ILE 20 -3.949 23.942 -1.157 146 HB ILE 20 HB ILE 20 -6.522 24.655 0.253 147 HG12 ILE 20 2HG1 ILE 20 -6.556 26.239 -1.849 148 HG13 ILE 20 3HG1 ILE 20 -5.475 25.027 -2.528 149 HG21 ILE 20 1HG2 ILE 20 -4.880 26.015 1.235 150 HG22 ILE 20 2HG2 ILE 20 -4.038 26.248 -0.296 151 HG23 ILE 20 3HG2 ILE 20 -5.603 27.014 -0.026 152 HD11 ILE 20 1HD1 ILE 20 -8.204 24.974 -2.625 153 HD12 ILE 20 2HD1 ILE 20 -7.139 23.590 -2.870 154 HD13 ILE 20 3HD1 ILE 20 -7.847 23.888 -1.283 155 H LEU 21 H LEU 21 -2.452 24.471 0.349 156 HA LEU 21 HA LEU 21 -2.623 23.079 2.916 157 HB2 LEU 21 2HB LEU 21 -0.574 23.403 1.079 158 HB3 LEU 21 3HB LEU 21 -0.147 24.499 2.391 159 HG LEU 21 HG LEU 21 0.950 22.391 2.734 160 HD11 LEU 21 1HD1 LEU 21 -0.076 23.650 4.677 161 HD12 LEU 21 2HD1 LEU 21 0.304 21.951 4.955 162 HD13 LEU 21 3HD1 LEU 21 -1.362 22.443 4.653 163 HD21 LEU 21 1HD2 LEU 21 -0.937 20.504 3.315 164 HD22 LEU 21 2HD2 LEU 21 -0.041 20.614 1.800 165 HD23 LEU 21 3HD2 LEU 21 -1.651 21.324 1.927 166 H THR 22 H THR 22 -2.347 24.114 4.888 167 HA THR 22 HA THR 22 -3.377 26.750 5.067 168 HB THR 22 HB THR 22 -1.964 25.208 7.249 169 HG1 THR 22 HG1 THR 22 -3.948 24.289 6.024 170 HG21 THR 22 1HG2 THR 22 -3.289 27.770 7.131 171 HG22 THR 22 2HG2 THR 22 -2.387 27.036 8.457 172 HG23 THR 22 3HG2 THR 22 -4.106 26.693 8.263 173 H SER 23 H SER 23 -0.274 25.595 4.441 174 HA SER 23 HA SER 23 1.185 27.728 5.714 175 HB2 SER 23 2HB SER 23 2.618 25.961 5.539 176 HB3 SER 23 3HB SER 23 1.849 25.347 4.076 177 HG SER 23 HG SER 23 3.748 27.424 4.332 178 H GLU 24 H GLU 24 -0.551 27.351 2.820 179 HA GLU 24 HA GLU 24 0.435 29.936 1.876 180 HB2 GLU 24 2HB GLU 24 1.438 27.740 0.706 181 HB3 GLU 24 3HB GLU 24 -0.044 27.895 -0.226 182 HG2 GLU 24 2HG GLU 24 2.281 29.760 -0.057 183 HG3 GLU 24 3HG GLU 24 1.500 29.070 -1.480 184 H ARG 25 H ARG 25 -1.817 29.972 3.120 185 HA ARG 25 HA ARG 25 -4.143 29.188 1.741 186 HB2 ARG 25 2HB ARG 25 -4.000 29.839 4.165 187 HB3 ARG 25 3HB ARG 25 -3.880 31.515 3.647 188 HG2 ARG 25 2HG ARG 25 -6.130 30.381 2.358 189 HG3 ARG 25 3HG ARG 25 -6.204 29.944 4.066 190 HD2 ARG 25 2HD ARG 25 -6.463 32.097 4.747 191 HD3 ARG 25 3HD ARG 25 -5.493 32.745 3.424 192 HE ARG 25 HE ARG 25 -7.414 33.041 2.234 193 HH11 ARG 25 1HH1 ARG 25 -8.014 30.715 4.754 194 HH12 ARG 25 2HH1 ARG 25 -9.713 30.608 4.430 195 HH21 ARG 25 1HH2 ARG 25 -9.649 32.909 1.799 196 HH22 ARG 25 2HH2 ARG 25 -10.642 31.855 2.748 197 H SER 26 H SER 26 -1.911 31.670 1.124 198 HA SER 26 HA SER 26 -3.499 33.690 0.041 199 HB2 SER 26 2HB SER 26 -0.864 33.444 0.417 200 HB3 SER 26 3HB SER 26 -0.916 33.066 -1.304 201 HG SER 26 HG SER 26 -2.313 35.098 -1.329 202 H GLN 27 H GLN 27 -2.749 30.550 -1.163 203 HA GLN 27 HA GLN 27 -4.674 30.618 -3.185 204 HB2 GLN 27 2HB GLN 27 -2.993 30.435 -5.142 205 HB3 GLN 27 3HB GLN 27 -3.407 32.032 -4.534 206 HG2 GLN 27 2HG GLN 27 -1.353 32.135 -3.278 207 HG3 GLN 27 3HG GLN 27 -0.950 30.485 -3.748 208 HE21 GLN 27 1HE2 GLN 27 0.953 31.038 -4.751 209 HE22 GLN 27 2HE2 GLN 27 1.012 31.918 -6.236 210 HA PRO 28 HA PRO 28 -4.004 26.287 -3.012 211 HB2 PRO 28 2HB PRO 28 -4.811 25.495 -5.480 212 HB3 PRO 28 3HB PRO 28 -5.935 26.046 -4.232 213 HG2 PRO 28 2HG PRO 28 -4.807 27.549 -6.562 214 HG3 PRO 28 3HG PRO 28 -6.468 27.530 -5.941 215 HD2 PRO 28 2HD PRO 28 -4.733 29.537 -5.400 216 HD3 PRO 28 3HD PRO 28 -5.988 29.024 -4.254 217 H PHE 29 H PHE 29 -2.387 24.851 -3.321 218 HA PHE 29 HA PHE 29 -0.053 25.656 -4.730 219 HB2 PHE 29 2HB PHE 29 -0.871 23.251 -3.160 220 HB3 PHE 29 3HB PHE 29 0.548 23.133 -4.196 221 HD1 PHE 29 HD1 PHE 29 2.448 24.734 -3.835 222 HD2 PHE 29 HD2 PHE 29 -0.771 24.326 -1.080 223 HE1 PHE 29 HE1 PHE 29 3.815 25.795 -2.085 224 HE2 PHE 29 HE2 PHE 29 0.591 25.386 0.673 225 HZ PHE 29 HZ PHE 29 2.887 26.123 0.172 226 H ARG 30 H ARG 30 -1.730 22.546 -5.124 227 HA ARG 30 HA ARG 30 -1.856 22.936 -8.006 228 HB2 ARG 30 2HB ARG 30 0.389 21.942 -7.506 229 HB3 ARG 30 3HB ARG 30 -0.435 20.546 -6.824 230 HG2 ARG 30 2HG ARG 30 0.309 20.117 -9.099 231 HG3 ARG 30 3HG ARG 30 -1.452 20.074 -8.984 232 HD2 ARG 30 2HD ARG 30 -1.714 22.004 -10.187 233 HD3 ARG 30 3HD ARG 30 -0.149 22.649 -9.696 234 HE ARG 30 HE ARG 30 -0.704 21.100 -12.019 235 HH11 ARG 30 1HH1 ARG 30 1.730 21.749 -9.615 236 HH12 ARG 30 2HH1 ARG 30 3.052 21.319 -10.649 237 HH21 ARG 30 1HH2 ARG 30 1.028 20.531 -13.390 238 HH22 ARG 30 2HH2 ARG 30 2.651 20.627 -12.796 239 H VAL 31 H VAL 31 -3.389 21.658 -9.029 240 HA VAL 31 HA VAL 31 -5.315 20.403 -7.233 241 HB VAL 31 HB VAL 31 -6.191 22.018 -8.832 242 HG11 VAL 31 1HG1 VAL 31 -5.470 22.155 -10.928 243 HG12 VAL 31 2HG1 VAL 31 -4.369 20.816 -10.599 244 HG13 VAL 31 3HG1 VAL 31 -5.976 20.497 -11.253 245 HG21 VAL 31 1HG2 VAL 31 -7.002 19.174 -9.421 246 HG22 VAL 31 2HG2 VAL 31 -7.666 20.226 -8.170 247 HG23 VAL 31 3HG2 VAL 31 -7.935 20.601 -9.872 248 H ILE 32 H ILE 32 -5.828 18.275 -7.242 249 HA ILE 32 HA ILE 32 -4.199 16.536 -8.966 250 HB ILE 32 HB ILE 32 -4.559 14.770 -7.323 251 HG12 ILE 32 2HG1 ILE 32 -5.547 16.130 -5.078 252 HG13 ILE 32 3HG1 ILE 32 -6.616 16.584 -6.400 253 HG21 ILE 32 1HG2 ILE 32 -3.303 17.341 -6.636 254 HG22 ILE 32 2HG2 ILE 32 -3.562 16.235 -5.288 255 HG23 ILE 32 3HG2 ILE 32 -2.617 15.717 -6.684 256 HD11 ILE 32 1HD1 ILE 32 -7.692 14.711 -5.790 257 HD12 ILE 32 2HD1 ILE 32 -6.475 13.933 -6.802 258 HD13 ILE 32 3HD1 ILE 32 -6.257 13.997 -5.053 259 H SER 33 H SER 33 -5.123 15.032 -10.265 260 HA SER 33 HA SER 33 -8.066 14.861 -10.243 261 HB2 SER 33 2HB SER 33 -7.250 14.276 -12.852 262 HB3 SER 33 3HB SER 33 -8.030 15.758 -12.301 263 HG SER 33 HG SER 33 -5.466 15.346 -13.103 264 H ILE 34 H ILE 34 -8.827 12.882 -9.935 265 HA ILE 34 HA ILE 34 -7.442 10.574 -11.024 266 HB ILE 34 HB ILE 34 -7.578 9.364 -8.822 267 HG12 ILE 34 2HG1 ILE 34 -7.628 12.098 -7.567 268 HG13 ILE 34 3HG1 ILE 34 -9.116 11.205 -7.859 269 HG21 ILE 34 1HG2 ILE 34 -5.464 10.213 -8.018 270 HG22 ILE 34 2HG2 ILE 34 -5.473 10.221 -9.780 271 HG23 ILE 34 3HG2 ILE 34 -5.706 11.726 -8.890 272 HD11 ILE 34 1HD1 ILE 34 -8.296 9.382 -6.465 273 HD12 ILE 34 2HD1 ILE 34 -6.803 10.276 -6.175 274 HD13 ILE 34 3HD1 ILE 34 -8.339 10.907 -5.581 275 H ALA 35 H ALA 35 -8.727 8.597 -10.871 276 HA ALA 35 HA ALA 35 -11.375 8.951 -11.639 277 HB1 ALA 35 1HB ALA 35 -11.400 6.723 -11.975 278 HB2 ALA 35 2HB ALA 35 -9.666 6.867 -11.680 279 HB3 ALA 35 3HB ALA 35 -10.745 6.366 -10.377 280 H GLU 36 H GLU 36 -13.358 8.579 -10.609 281 HA GLU 36 HA GLU 36 -13.598 9.577 -8.000 282 HB2 GLU 36 2HB GLU 36 -15.921 9.155 -8.189 283 HB3 GLU 36 3HB GLU 36 -15.371 9.551 -9.811 284 HG2 GLU 36 2HG GLU 36 -15.132 6.962 -10.045 285 HG3 GLU 36 3HG GLU 36 -16.269 6.940 -8.699 286 H GLU 37 H GLU 37 -12.983 6.399 -9.170 287 HA GLU 37 HA GLU 37 -13.397 5.312 -6.462 288 HB2 GLU 37 2HB GLU 37 -14.171 4.321 -9.067 289 HB3 GLU 37 3HB GLU 37 -13.146 3.159 -8.238 290 HG2 GLU 37 2HG GLU 37 -15.475 4.406 -6.840 291 HG3 GLU 37 3HG GLU 37 -15.698 3.033 -7.923 292 H ALA 38 H ALA 38 -11.043 6.539 -8.202 293 HA ALA 38 HA ALA 38 -9.075 4.426 -8.010 294 HB1 ALA 38 1HB ALA 38 -8.989 7.273 -8.953 295 HB2 ALA 38 2HB ALA 38 -7.519 6.319 -8.750 296 HB3 ALA 38 3HB ALA 38 -8.764 5.791 -9.883 297 HA PRO 39 HA PRO 39 -7.460 5.344 -4.033 298 HB2 PRO 39 2HB PRO 39 -4.816 4.851 -4.398 299 HB3 PRO 39 3HB PRO 39 -6.031 3.569 -4.330 300 HG2 PRO 39 2HG PRO 39 -4.745 4.836 -6.718 301 HG3 PRO 39 3HG PRO 39 -5.088 3.124 -6.408 302 HD2 PRO 39 2HD PRO 39 -6.656 4.660 -7.993 303 HD3 PRO 39 3HD PRO 39 -7.303 3.328 -7.014 304 H LEU 40 H LEU 40 -6.772 7.081 -2.904 305 HA LEU 40 HA LEU 40 -6.190 9.503 -4.241 306 HB2 LEU 40 2HB LEU 40 -7.285 9.691 -2.180 307 HB3 LEU 40 3HB LEU 40 -6.123 8.644 -1.369 308 HG LEU 40 HG LEU 40 -5.117 11.220 -2.446 309 HD11 LEU 40 1HD1 LEU 40 -6.656 11.097 0.137 310 HD12 LEU 40 2HD1 LEU 40 -7.319 11.737 -1.366 311 HD13 LEU 40 3HD1 LEU 40 -5.921 12.510 -0.619 312 HD21 LEU 40 1HD2 LEU 40 -4.025 11.048 -0.084 313 HD22 LEU 40 2HD2 LEU 40 -3.454 10.019 -1.398 314 HD23 LEU 40 3HD2 LEU 40 -4.546 9.365 -0.177 315 H THR 41 H THR 41 -4.223 6.896 -3.300 316 HA THR 41 HA THR 41 -1.807 8.019 -2.612 317 HB THR 41 HB THR 41 -2.119 5.653 -4.468 318 HG1 THR 41 HG1 THR 41 -3.147 4.853 -2.790 319 HG21 THR 41 1HG2 THR 41 -0.024 5.507 -2.483 320 HG22 THR 41 2HG2 THR 41 0.165 6.936 -3.500 321 HG23 THR 41 3HG2 THR 41 0.078 5.335 -4.235 322 H ALA 42 H ALA 42 -3.340 7.889 -5.749 323 HA ALA 42 HA ALA 42 -1.139 8.464 -7.380 324 HB1 ALA 42 1HB ALA 42 -2.923 7.881 -8.658 325 HB2 ALA 42 2HB ALA 42 -4.079 8.733 -7.633 326 HB3 ALA 42 3HB ALA 42 -3.080 9.634 -8.773 327 H ALA 43 H ALA 43 -3.385 10.626 -5.689 328 HA ALA 43 HA ALA 43 -2.132 13.011 -6.673 329 HB1 ALA 43 1HB ALA 43 -4.441 13.156 -6.147 330 HB2 ALA 43 2HB ALA 43 -4.179 12.525 -4.520 331 HB3 ALA 43 3HB ALA 43 -3.584 14.129 -4.951 332 H LEU 44 H LEU 44 -1.742 10.934 -3.909 333 HA LEU 44 HA LEU 44 -0.518 12.578 -2.071 334 HB2 LEU 44 2HB LEU 44 -1.090 10.187 -1.743 335 HB3 LEU 44 3HB LEU 44 0.303 9.753 -2.732 336 HG LEU 44 HG LEU 44 1.513 11.261 -0.855 337 HD11 LEU 44 1HD1 LEU 44 -0.167 11.757 0.622 338 HD12 LEU 44 2HD1 LEU 44 0.441 10.253 1.313 339 HD13 LEU 44 3HD1 LEU 44 -1.023 10.242 0.331 340 HD21 LEU 44 1HD2 LEU 44 1.144 8.446 -1.404 341 HD22 LEU 44 2HD2 LEU 44 1.431 8.742 0.311 342 HD23 LEU 44 3HD2 LEU 44 2.590 9.315 -0.890 343 H ARG 45 H ARG 45 0.747 11.322 -5.067 344 HA ARG 45 HA ARG 45 3.469 11.580 -4.724 345 HB2 ARG 45 2HB ARG 45 1.739 11.179 -6.877 346 HB3 ARG 45 3HB ARG 45 2.649 12.622 -7.305 347 HG2 ARG 45 2HG ARG 45 4.739 11.418 -6.978 348 HG3 ARG 45 3HG ARG 45 3.840 9.973 -6.511 349 HD2 ARG 45 2HD ARG 45 3.657 9.384 -8.642 350 HD3 ARG 45 3HD ARG 45 2.819 10.893 -8.998 351 HE ARG 45 HE ARG 45 4.740 11.690 -9.946 352 HH11 ARG 45 1HH1 ARG 45 5.511 8.925 -7.976 353 HH12 ARG 45 2HH1 ARG 45 7.161 8.848 -8.500 354 HH21 ARG 45 1HH2 ARG 45 6.910 11.598 -10.645 355 HH22 ARG 45 2HH2 ARG 45 7.955 10.370 -10.018 356 H PHE 46 H PHE 46 1.263 14.098 -5.960 357 HA PHE 46 HA PHE 46 3.322 16.115 -5.636 358 HB2 PHE 46 2HB PHE 46 0.635 15.988 -6.907 359 HB3 PHE 46 3HB PHE 46 1.191 17.564 -6.354 360 HD1 PHE 46 HD1 PHE 46 3.117 18.634 -7.372 361 HD2 PHE 46 HD2 PHE 46 1.698 14.865 -8.749 362 HE1 PHE 46 HE1 PHE 46 4.449 18.886 -9.426 363 HE2 PHE 46 HE2 PHE 46 3.028 15.111 -10.804 364 HZ PHE 46 HZ PHE 46 4.406 17.123 -11.145 365 H ALA 47 H ALA 47 0.364 15.083 -4.074 366 HA ALA 47 HA ALA 47 -0.136 17.302 -2.459 367 HB1 ALA 47 1HB ALA 47 -1.882 15.931 -2.175 368 HB2 ALA 47 2HB ALA 47 -0.922 14.487 -2.496 369 HB3 ALA 47 3HB ALA 47 -0.917 15.209 -0.887 370 H ALA 48 H ALA 48 1.998 14.528 -1.944 371 HA ALA 48 HA ALA 48 2.718 15.059 0.708 372 HB1 ALA 48 1HB ALA 48 3.210 12.943 -0.397 373 HB2 ALA 48 2HB ALA 48 4.367 13.754 -1.453 374 HB3 ALA 48 3HB ALA 48 4.673 13.657 0.281 375 H GLU 49 H GLU 49 3.752 16.500 -2.287 376 HA GLU 49 HA GLU 49 6.118 17.723 -1.262 377 HB2 GLU 49 2HB GLU 49 4.532 18.685 -3.636 378 HB3 GLU 49 3HB GLU 49 6.256 18.858 -3.342 379 HG2 GLU 49 2HG GLU 49 6.243 16.254 -3.393 380 HG3 GLU 49 3HG GLU 49 4.723 16.474 -4.257 381 H GLU 50 H GLU 50 2.752 18.681 -1.556 382 HA GLU 50 HA GLU 50 3.012 21.415 -1.041 383 HB2 GLU 50 2HB GLU 50 0.806 19.430 -0.609 384 HB3 GLU 50 3HB GLU 50 0.633 21.078 -0.024 385 HG2 GLU 50 2HG GLU 50 -0.401 20.914 -2.168 386 HG3 GLU 50 3HG GLU 50 1.057 21.892 -2.321 387 H PHE 51 H PHE 51 2.660 18.682 1.184 388 HA PHE 51 HA PHE 51 2.877 20.443 3.488 389 HB2 PHE 51 2HB PHE 51 1.717 17.906 3.010 390 HB3 PHE 51 3HB PHE 51 3.002 17.662 4.188 391 HD1 PHE 51 HD1 PHE 51 2.960 20.042 5.798 392 HD2 PHE 51 HD2 PHE 51 -0.295 17.872 4.120 393 HE1 PHE 51 HE1 PHE 51 1.485 20.882 7.580 394 HE2 PHE 51 HE2 PHE 51 -1.774 18.709 5.898 395 HZ PHE 51 HZ PHE 51 -0.885 20.216 7.631 396 H GLY 52 H GLY 52 4.882 18.460 1.524 397 HA2 GLY 52 2HA GLY 52 7.148 18.080 1.563 398 HA3 GLY 52 3HA GLY 52 7.258 19.352 2.770 399 H ILE 53 H ILE 53 5.274 16.525 3.259 400 HA ILE 53 HA ILE 53 7.303 15.171 4.826 401 HB ILE 53 HB ILE 53 5.755 15.065 6.833 402 HG12 ILE 53 2HG1 ILE 53 4.533 17.466 5.452 403 HG13 ILE 53 3HG1 ILE 53 3.737 15.919 5.722 404 HG21 ILE 53 1HG2 ILE 53 6.913 17.769 6.171 405 HG22 ILE 53 2HG2 ILE 53 6.614 17.113 7.780 406 HG23 ILE 53 3HG2 ILE 53 7.841 16.384 6.745 407 HD11 ILE 53 1HD1 ILE 53 2.906 16.917 7.535 408 HD12 ILE 53 2HD1 ILE 53 4.488 16.592 8.244 409 HD13 ILE 53 3HD1 ILE 53 4.146 18.170 7.536 410 H ALA 54 H ALA 54 6.723 13.031 5.414 411 HA ALA 54 HA ALA 54 4.247 12.020 4.185 412 HB1 ALA 54 1HB ALA 54 5.639 9.957 3.575 413 HB2 ALA 54 2HB ALA 54 5.836 11.406 2.588 414 HB3 ALA 54 3HB ALA 54 7.042 11.000 3.809 415 H SER 55 H SER 55 3.857 12.400 6.646 416 HA SER 55 HA SER 55 3.910 9.789 7.880 417 HB2 SER 55 2HB SER 55 5.778 11.881 8.682 418 HB3 SER 55 3HB SER 55 4.766 11.337 10.020 419 HG SER 55 HG SER 55 5.740 9.464 9.998 420 H VAL 56 H VAL 56 3.569 13.059 9.232 421 HA VAL 56 HA VAL 56 1.147 12.418 10.568 422 HB VAL 56 HB VAL 56 1.035 14.751 11.189 423 HG11 VAL 56 1HG1 VAL 56 2.856 14.749 12.557 424 HG12 VAL 56 2HG1 VAL 56 2.932 13.078 11.993 425 HG13 VAL 56 3HG1 VAL 56 3.968 14.306 11.263 426 HG21 VAL 56 1HG2 VAL 56 3.280 15.954 10.083 427 HG22 VAL 56 2HG2 VAL 56 2.528 15.103 8.734 428 HG23 VAL 56 3HG2 VAL 56 1.598 16.277 9.665 429 H ASP 57 H ASP 57 1.850 13.381 7.374 430 HA ASP 57 HA ASP 57 -0.486 14.810 6.720 431 HB2 ASP 57 2HB ASP 57 0.141 14.539 4.459 432 HB3 ASP 57 3HB ASP 57 1.661 14.577 5.350 433 H SER 58 H SER 58 0.004 11.524 7.444 434 HA SER 58 HA SER 58 -1.932 10.276 5.853 435 HB2 SER 58 2HB SER 58 -1.826 8.445 7.406 436 HB3 SER 58 3HB SER 58 -0.204 9.126 7.282 437 HG SER 58 HG SER 58 -0.902 8.712 9.461 438 H MET 59 H MET 59 -2.231 12.315 8.628 439 HA MET 59 HA MET 59 -5.109 12.321 8.345 440 HB2 MET 59 2HB MET 59 -3.721 11.156 10.721 441 HB3 MET 59 3HB MET 59 -5.214 12.052 10.969 442 HG2 MET 59 2HG MET 59 -6.274 10.149 10.567 443 HG3 MET 59 3HG MET 59 -5.821 10.366 8.878 444 HE1 MET 59 1HE MET 59 -4.281 7.592 12.034 445 HE2 MET 59 2HE MET 59 -5.628 8.730 12.028 446 HE3 MET 59 3HE MET 59 -5.778 7.182 11.195 447 H ALA 60 H ALA 60 -4.140 14.453 7.626 448 HA ALA 60 HA ALA 60 -4.292 16.315 9.876 449 HB1 ALA 60 1HB ALA 60 -2.375 17.541 8.400 450 HB2 ALA 60 2HB ALA 60 -2.058 16.547 9.823 451 HB3 ALA 60 3HB ALA 60 -1.921 15.848 8.209 452 H ALA 61 H ALA 61 -6.450 16.419 8.774 453 HA ALA 61 HA ALA 61 -6.474 18.697 6.996 454 HB1 ALA 61 1HB ALA 61 -6.724 16.058 5.934 455 HB2 ALA 61 2HB ALA 61 -8.254 16.912 5.736 456 HB3 ALA 61 3HB ALA 61 -6.767 17.605 5.089 457 H THR 62 H THR 62 -8.554 19.681 6.816 458 HA THR 62 HA THR 62 -10.659 18.610 8.545 459 HB THR 62 HB THR 62 -10.955 21.102 9.326 460 HG1 THR 62 HG1 THR 62 -8.944 22.157 9.523 461 HG21 THR 62 1HG2 THR 62 -8.901 20.377 11.031 462 HG22 THR 62 2HG2 THR 62 -9.465 18.837 10.382 463 HG23 THR 62 3HG2 THR 62 -10.596 19.919 11.192 464 H THR 63 H THR 63 -12.745 19.343 8.057 465 HA THR 63 HA THR 63 -13.047 20.304 5.334 466 HB THR 63 HB THR 63 -14.398 18.385 6.200 467 HG1 THR 63 HG1 THR 63 -15.915 18.969 4.824 468 HG21 THR 63 1HG2 THR 63 -16.141 20.365 7.608 469 HG22 THR 63 2HG2 THR 63 -14.762 19.661 8.452 470 HG23 THR 63 3HG2 THR 63 -16.034 18.618 7.817 471 H LYS 64 H LYS 64 -14.699 21.964 4.843 472 HA LYS 64 HA LYS 64 -14.131 24.398 6.063 473 HB2 LYS 64 2HB LYS 64 -15.377 23.714 3.792 474 HB3 LYS 64 3HB LYS 64 -16.789 24.088 4.771 475 HG2 LYS 64 2HG LYS 64 -16.434 26.282 4.631 476 HG3 LYS 64 3HG LYS 64 -14.710 26.112 4.972 477 HD2 LYS 64 2HD LYS 64 -15.961 25.512 2.295 478 HD3 LYS 64 3HD LYS 64 -15.248 27.070 2.719 479 HE2 LYS 64 2HE LYS 64 -13.564 24.705 3.229 480 HE3 LYS 64 3HE LYS 64 -13.894 25.055 1.534 481 HZ1 LYS 64 1HZ LYS 64 -12.735 26.952 3.504 482 HZ2 LYS 64 2HZ LYS 64 -13.068 27.305 1.884 483 HZ3 LYS 64 3HZ LYS 64 -11.886 26.159 2.273 484 H ASP 65 H ASP 65 -16.628 22.041 6.758 485 HA ASP 65 HA ASP 65 -18.099 23.741 8.536 486 HB2 ASP 65 2HB ASP 65 -18.999 21.716 7.263 487 HB3 ASP 65 3HB ASP 65 -18.199 20.728 8.483 488 H GLY 66 H GLY 66 -15.288 21.791 8.793 489 HA2 GLY 66 2HA GLY 66 -14.030 22.465 10.904 490 HA3 GLY 66 3HA GLY 66 -15.455 21.863 11.738 491 H THR 67 H THR 67 -15.643 19.722 12.145 492 HA THR 67 HA THR 67 -13.420 18.083 12.196 493 HB THR 67 HB THR 67 -15.054 16.171 12.446 494 HG1 THR 67 HG1 THR 67 -16.804 16.895 11.272 495 HG21 THR 67 1HG2 THR 67 -14.217 17.701 14.309 496 HG22 THR 67 2HG2 THR 67 -15.699 16.799 14.626 497 HG23 THR 67 3HG2 THR 67 -15.781 18.507 14.197 498 H GLY 68 H GLY 68 -12.303 17.087 10.657 499 HA2 GLY 68 2HA GLY 68 -13.705 15.954 8.357 500 HA3 GLY 68 3HA GLY 68 -12.472 17.161 8.023 501 H ILE 69 H ILE 69 -13.002 14.038 9.615 502 HA ILE 69 HA ILE 69 -10.160 13.454 9.581 503 HB ILE 69 HB ILE 69 -11.568 12.739 11.487 504 HG12 ILE 69 2HG1 ILE 69 -10.724 10.379 11.563 505 HG13 ILE 69 3HG1 ILE 69 -10.256 10.542 9.874 506 HG21 ILE 69 1HG2 ILE 69 -12.750 10.695 9.622 507 HG22 ILE 69 2HG2 ILE 69 -13.190 11.022 11.298 508 HG23 ILE 69 3HG2 ILE 69 -13.562 12.203 10.042 509 HD11 ILE 69 1HD1 ILE 69 -8.612 11.000 11.948 510 HD12 ILE 69 2HD1 ILE 69 -8.436 11.758 10.365 511 HD13 ILE 69 3HD1 ILE 69 -9.236 12.626 11.676 512 H ASN 70 H ASN 70 -9.121 12.216 8.134 513 HA ASN 70 HA ASN 70 -10.728 11.019 5.978 514 HB2 ASN 70 2HB ASN 70 -7.792 11.697 5.823 515 HB3 ASN 70 3HB ASN 70 -8.902 11.368 4.496 516 HD21 ASN 70 1HD2 ASN 70 -8.056 13.665 7.005 517 HD22 ASN 70 2HD2 ASN 70 -8.760 15.046 6.241 518 HA PRO 71 HA PRO 71 -9.037 7.386 8.234 519 HB2 PRO 71 2HB PRO 71 -11.195 5.814 7.743 520 HB3 PRO 71 3HB PRO 71 -11.121 6.949 9.096 521 HG2 PRO 71 2HG PRO 71 -12.436 7.268 6.425 522 HG3 PRO 71 3HG PRO 71 -13.043 7.712 8.031 523 HD2 PRO 71 2HD PRO 71 -11.970 9.523 6.329 524 HD3 PRO 71 3HD PRO 71 -11.822 9.665 8.092 525 H ALA 72 H ALA 72 -10.929 7.242 5.210 526 HA ALA 72 HA ALA 72 -9.089 5.195 4.200 527 HB1 ALA 72 1HB ALA 72 -11.616 4.892 4.160 528 HB2 ALA 72 2HB ALA 72 -11.625 6.088 2.863 529 HB3 ALA 72 3HB ALA 72 -10.746 4.573 2.659 530 H GLN 73 H GLN 73 -10.125 8.478 3.687 531 HA GLN 73 HA GLN 73 -9.447 10.118 2.262 532 HB2 GLN 73 2HB GLN 73 -6.900 8.609 1.796 533 HB3 GLN 73 3HB GLN 73 -7.148 10.342 1.962 534 HG2 GLN 73 2HG GLN 73 -7.881 9.654 4.398 535 HG3 GLN 73 3HG GLN 73 -6.865 8.255 4.051 536 HE21 GLN 73 1HE2 GLN 73 -4.904 9.409 2.510 537 HE22 GLN 73 2HE2 GLN 73 -3.993 10.517 3.473 538 H THR 74 H THR 74 -10.706 7.606 1.182 539 HA THR 74 HA THR 74 -9.578 7.259 -1.443 540 HB THR 74 HB THR 74 -12.353 6.368 -0.765 541 HG1 THR 74 HG1 THR 74 -10.027 4.968 0.085 542 HG21 THR 74 1HG2 THR 74 -12.032 5.320 -2.709 543 HG22 THR 74 2HG2 THR 74 -10.831 4.315 -1.897 544 HG23 THR 74 3HG2 THR 74 -10.330 5.781 -2.739 545 H ALA 75 H ALA 75 -10.837 7.610 -3.424 546 HA ALA 75 HA ALA 75 -11.699 10.276 -3.661 547 HB1 ALA 75 1HB ALA 75 -10.815 9.323 -5.601 548 HB2 ALA 75 2HB ALA 75 -11.855 7.903 -5.488 549 HB3 ALA 75 3HB ALA 75 -12.540 9.464 -5.940 550 H GLY 76 H GLY 76 -13.508 7.228 -3.491 551 HA2 GLY 76 2HA GLY 76 -16.067 8.375 -3.888 552 HA3 GLY 76 3HA GLY 76 -15.743 6.803 -3.172 553 H ASN 77 H ASN 77 -14.164 7.742 -0.984 554 HA ASN 77 HA ASN 77 -16.260 8.378 0.839 555 HB2 ASN 77 2HB ASN 77 -13.318 7.907 1.044 556 HB3 ASN 77 3HB ASN 77 -14.131 8.704 2.388 557 HD21 ASN 77 1HD2 ASN 77 -14.147 5.823 0.371 558 HD22 ASN 77 2HD2 ASN 77 -14.861 4.780 1.549 559 H VAL 78 H VAL 78 -13.324 10.152 -0.138 560 HA VAL 78 HA VAL 78 -13.908 12.521 1.240 561 HB VAL 78 HB VAL 78 -12.267 13.607 -0.175 562 HG11 VAL 78 1HG1 VAL 78 -10.761 12.574 1.087 563 HG12 VAL 78 2HG1 VAL 78 -11.821 11.174 1.257 564 HG13 VAL 78 3HG1 VAL 78 -10.694 11.269 -0.096 565 HG21 VAL 78 1HG2 VAL 78 -11.216 11.996 -1.976 566 HG22 VAL 78 2HG2 VAL 78 -12.838 11.303 -1.973 567 HG23 VAL 78 3HG2 VAL 78 -12.608 13.008 -2.360 568 H PHE 79 H PHE 79 -14.946 11.337 -1.883 569 HA PHE 79 HA PHE 79 -15.837 13.679 -3.072 570 HB2 PHE 79 2HB PHE 79 -15.821 11.659 -4.349 571 HB3 PHE 79 3HB PHE 79 -16.915 10.864 -3.222 572 HD1 PHE 79 HD1 PHE 79 -18.940 10.439 -4.199 573 HD2 PHE 79 HD2 PHE 79 -16.987 14.127 -5.034 574 HE1 PHE 79 HE1 PHE 79 -20.860 11.142 -5.567 575 HE2 PHE 79 HE2 PHE 79 -18.904 14.837 -6.403 576 HZ PHE 79 HZ PHE 79 -20.845 13.344 -6.670 577 H MET 80 H MET 80 -17.469 11.584 -0.736 578 HA MET 80 HA MET 80 -19.747 13.414 -0.650 579 HB2 MET 80 2HB MET 80 -19.264 10.604 0.184 580 HB3 MET 80 3HB MET 80 -20.422 11.528 1.131 581 HG2 MET 80 2HG MET 80 -21.944 11.595 -0.534 582 HG3 MET 80 3HG MET 80 -20.721 11.660 -1.800 583 HE1 MET 80 1HE MET 80 -23.560 9.239 -1.724 584 HE2 MET 80 2HE MET 80 -23.143 8.303 -0.288 585 HE3 MET 80 3HE MET 80 -23.303 10.057 -0.182 586 H LYS 81 H LYS 81 -16.886 12.637 1.068 587 HA LYS 81 HA LYS 81 -17.715 13.545 3.646 588 HB2 LYS 81 2HB LYS 81 -15.725 12.015 3.035 589 HB3 LYS 81 3HB LYS 81 -14.866 13.508 2.681 590 HG2 LYS 81 2HG LYS 81 -14.290 12.914 4.887 591 HG3 LYS 81 3HG LYS 81 -15.432 14.254 5.020 592 HD2 LYS 81 2HD LYS 81 -16.001 12.571 6.647 593 HD3 LYS 81 3HD LYS 81 -17.247 12.604 5.397 594 HE2 LYS 81 2HE LYS 81 -16.383 10.633 4.378 595 HE3 LYS 81 3HE LYS 81 -14.933 10.677 5.379 596 HZ1 LYS 81 1HZ LYS 81 -17.651 10.356 6.513 597 HZ2 LYS 81 2HZ LYS 81 -16.167 10.091 7.281 598 HZ3 LYS 81 3HZ LYS 81 -16.688 9.040 6.062 599 H TYR 82 H TYR 82 -15.573 14.985 1.181 600 HA TYR 82 HA TYR 82 -16.236 17.629 2.302 601 HB2 TYR 82 2HB TYR 82 -13.732 17.042 0.739 602 HB3 TYR 82 3HB TYR 82 -14.064 18.401 1.807 603 HD1 TYR 82 HD1 TYR 82 -13.853 18.176 4.212 604 HD2 TYR 82 HD2 TYR 82 -13.094 14.872 1.642 605 HE1 TYR 82 HE1 TYR 82 -12.770 16.985 6.072 606 HE2 TYR 82 HE2 TYR 82 -12.010 13.671 3.495 607 HH TYR 82 HH TYR 82 -12.067 13.695 5.987 608 H GLY 83 H GLY 83 -15.983 15.652 -0.547 609 HA2 GLY 83 2HA GLY 83 -16.546 16.023 -2.746 610 HA3 GLY 83 3HA GLY 83 -17.800 17.053 -2.071 611 H GLN 84 H GLN 84 -14.284 17.158 -2.663 612 HA GLN 84 HA GLN 84 -12.940 18.781 -3.517 613 HB2 GLN 84 2HB GLN 84 -14.628 18.531 -5.404 614 HB3 GLN 84 3HB GLN 84 -15.417 19.965 -4.762 615 HG2 GLN 84 2HG GLN 84 -13.340 21.232 -5.083 616 HG3 GLN 84 3HG GLN 84 -12.588 19.795 -5.773 617 HE21 GLN 84 1HE2 GLN 84 -15.715 21.429 -6.176 618 HE22 GLN 84 2HE2 GLN 84 -15.633 21.529 -7.899 619 H GLU 85 H GLU 85 -13.406 19.256 -0.985 620 HA GLU 85 HA GLU 85 -13.173 22.066 -0.734 621 HB2 GLU 85 2HB GLU 85 -15.668 21.801 -1.015 622 HB3 GLU 85 3HB GLU 85 -15.675 20.917 0.505 623 HG2 GLU 85 2HG GLU 85 -16.127 22.939 1.362 624 HG3 GLU 85 3HG GLU 85 -14.378 23.133 1.278 625 H ILE 86 H ILE 86 -11.274 20.797 0.131 626 HA ILE 86 HA ILE 86 -11.626 20.473 3.023 627 HB ILE 86 HB ILE 86 -11.630 18.211 2.115 628 HG12 ILE 86 2HG1 ILE 86 -8.937 18.750 3.374 629 HG13 ILE 86 3HG1 ILE 86 -10.447 18.785 4.279 630 HG21 ILE 86 1HG2 ILE 86 -9.642 17.335 0.944 631 HG22 ILE 86 2HG2 ILE 86 -10.470 18.595 0.031 632 HG23 ILE 86 3HG2 ILE 86 -8.979 18.968 0.895 633 HD11 ILE 86 1HD1 ILE 86 -10.516 16.361 2.951 634 HD12 ILE 86 2HD1 ILE 86 -8.835 16.537 3.456 635 HD13 ILE 86 3HD1 ILE 86 -10.130 16.626 4.651 636 H ARG 87 H ARG 87 -9.860 21.056 4.270 637 HA ARG 87 HA ARG 87 -7.675 22.380 2.802 638 HB2 ARG 87 2HB ARG 87 -9.296 23.185 5.129 639 HB3 ARG 87 3HB ARG 87 -7.571 23.483 5.289 640 HG2 ARG 87 2HG ARG 87 -8.789 24.322 2.742 641 HG3 ARG 87 3HG ARG 87 -9.291 25.216 4.179 642 HD2 ARG 87 2HD ARG 87 -6.424 24.731 3.382 643 HD3 ARG 87 3HD ARG 87 -7.327 26.198 3.007 644 HE ARG 87 HE ARG 87 -6.108 25.538 5.489 645 HH11 ARG 87 1HH1 ARG 87 -8.849 27.160 4.083 646 HH12 ARG 87 2HH1 ARG 87 -9.056 28.245 5.417 647 HH21 ARG 87 1HH2 ARG 87 -6.371 26.961 7.252 648 HH22 ARG 87 2HH2 ARG 87 -7.645 28.132 7.218 649 H LEU 88 H LEU 88 -5.569 22.050 3.441 650 HA LEU 88 HA LEU 88 -5.112 19.656 5.025 651 HB2 LEU 88 2HB LEU 88 -3.501 21.297 3.133 652 HB3 LEU 88 3HB LEU 88 -2.658 20.284 4.303 653 HG LEU 88 HG LEU 88 -4.704 18.787 2.917 654 HD11 LEU 88 1HD1 LEU 88 -3.956 20.635 1.229 655 HD12 LEU 88 2HD1 LEU 88 -4.085 18.954 0.713 656 HD13 LEU 88 3HD1 LEU 88 -2.506 19.641 1.094 657 HD21 LEU 88 1HD2 LEU 88 -3.000 17.195 2.714 658 HD22 LEU 88 2HD2 LEU 88 -2.649 18.023 4.231 659 HD23 LEU 88 3HD2 LEU 88 -1.729 18.416 2.778 660 H ILE 89 H ILE 89 -4.933 19.875 7.153 661 HA ILE 89 HA ILE 89 -3.315 22.103 8.193 662 HB ILE 89 HB ILE 89 -5.697 22.540 8.638 663 HG12 ILE 89 2HG1 ILE 89 -4.066 21.822 11.083 664 HG13 ILE 89 3HG1 ILE 89 -4.023 23.354 10.218 665 HG21 ILE 89 1HG2 ILE 89 -6.406 20.169 8.707 666 HG22 ILE 89 2HG2 ILE 89 -5.627 20.014 10.281 667 HG23 ILE 89 3HG2 ILE 89 -6.995 21.109 10.079 668 HD11 ILE 89 1HD1 ILE 89 -5.428 23.969 11.862 669 HD12 ILE 89 2HD1 ILE 89 -6.633 23.242 10.798 670 HD13 ILE 89 3HD1 ILE 89 -5.983 22.321 12.155 671 HA PRO 90 HA PRO 90 -1.011 18.825 10.074 672 HB2 PRO 90 2HB PRO 90 0.503 20.371 11.714 673 HB3 PRO 90 3HB PRO 90 0.787 20.252 9.973 674 HG2 PRO 90 2HG PRO 90 -0.647 22.379 11.516 675 HG3 PRO 90 3HG PRO 90 0.507 22.551 10.181 676 HD2 PRO 90 2HD PRO 90 -2.170 22.749 9.827 677 HD3 PRO 90 3HD PRO 90 -1.087 22.101 8.579 678 H ARG 91 H ARG 91 -2.575 17.739 11.279 679 HA ARG 91 HA ARG 91 -2.966 18.726 14.028 680 HB2 ARG 91 2HB ARG 91 -4.926 18.220 12.157 681 HB3 ARG 91 3HB ARG 91 -4.894 16.733 13.094 682 HG2 ARG 91 2HG ARG 91 -5.275 17.973 15.137 683 HG3 ARG 91 3HG ARG 91 -5.217 19.495 14.246 684 HD2 ARG 91 2HD ARG 91 -7.521 18.737 14.741 685 HD3 ARG 91 3HD ARG 91 -7.199 18.910 13.016 686 HE ARG 91 HE ARG 91 -6.706 16.253 13.807 687 HH11 ARG 91 1HH1 ARG 91 -9.332 18.482 13.304 688 HH12 ARG 91 2HH1 ARG 91 -10.479 17.245 12.911 689 HH21 ARG 91 1HH2 ARG 91 -8.207 14.615 13.291 690 HH22 ARG 91 2HH2 ARG 91 -9.839 15.045 12.904 691 H ASP 92 H ASP 92 -3.253 17.034 15.668 692 HA ASP 92 HA ASP 92 -2.562 15.177 16.786 693 HB2 ASP 92 2HB ASP 92 -3.700 14.202 14.538 694 HB3 ASP 92 3HB ASP 92 -2.063 13.583 14.340 695 H ARG 93 H ARG 93 -0.649 17.155 15.753 696 HA ARG 93 HA ARG 93 1.762 15.528 16.064 697 HB2 ARG 93 2HB ARG 93 1.536 15.855 13.658 698 HB3 ARG 93 3HB ARG 93 1.367 17.590 13.889 699 HG2 ARG 93 2HG ARG 93 3.664 17.620 14.847 700 HG3 ARG 93 3HG ARG 93 3.813 15.917 14.409 701 HD2 ARG 93 2HD ARG 93 4.265 16.423 12.288 702 HD3 ARG 93 3HD ARG 93 2.866 17.491 12.182 703 HE ARG 93 HE ARG 93 5.003 18.710 13.610 704 HH11 ARG 93 1HH1 ARG 93 3.887 17.921 10.408 705 HH12 ARG 93 2HH1 ARG 93 4.753 19.213 9.646 706 HH21 ARG 93 1HH2 ARG 93 6.148 20.415 12.618 707 HH22 ARG 93 2HH2 ARG 93 6.040 20.631 10.904 708 H VAL 94 H VAL 94 1.177 18.950 15.286 709 HA VAL 94 HA VAL 94 3.067 19.897 17.156 710 HB VAL 94 HB VAL 94 0.768 21.426 15.930 711 HG11 VAL 94 1HG1 VAL 94 2.859 23.160 16.233 712 HG12 VAL 94 2HG1 VAL 94 1.489 23.015 17.335 713 HG13 VAL 94 3HG1 VAL 94 2.993 22.160 17.679 714 HG21 VAL 94 1HG2 VAL 94 3.582 21.004 14.928 715 HG22 VAL 94 2HG2 VAL 94 2.104 20.377 14.197 716 HG23 VAL 94 3HG2 VAL 94 2.407 22.115 14.224 717 H GLY 95 H GLY 95 -0.470 19.645 17.266 718 HA2 GLY 95 2HA GLY 95 -0.298 20.037 20.187 719 HA3 GLY 95 3HA GLY 95 -1.554 20.815 19.236 Start of MODEL 8 1 H1 MET 1 H MET 1 7.232 -3.042 2.519 2 HA MET 1 HA MET 1 9.129 -2.043 1.643 3 HB2 MET 1 2HB MET 1 7.727 -3.573 -0.505 4 HB3 MET 1 3HB MET 1 9.184 -2.680 -0.919 5 HG2 MET 1 2HG MET 1 10.117 -4.674 -0.397 6 HG3 MET 1 3HG MET 1 10.126 -3.935 1.203 7 HE1 MET 1 1HE MET 1 9.383 -7.490 2.307 8 HE2 MET 1 2HE MET 1 10.177 -7.342 0.740 9 HE3 MET 1 3HE MET 1 10.592 -6.233 2.047 10 H SER 2 H SER 2 6.467 -1.430 -0.653 11 HA SER 2 HA SER 2 7.063 1.413 -0.584 12 HB2 SER 2 2HB SER 2 6.806 0.385 -3.342 13 HB3 SER 2 3HB SER 2 7.836 1.667 -2.706 14 HG SER 2 HG SER 2 9.335 0.205 -2.975 15 H GLN 3 H GLN 3 5.473 2.597 -2.112 16 HA GLN 3 HA GLN 3 2.920 1.196 -2.347 17 HB2 GLN 3 2HB GLN 3 1.727 3.064 -1.244 18 HB3 GLN 3 3HB GLN 3 2.798 2.200 -0.149 19 HG2 GLN 3 2HG GLN 3 4.500 3.996 -0.557 20 HG3 GLN 3 3HG GLN 3 3.245 4.888 -1.414 21 HE21 GLN 3 1HE2 GLN 3 4.489 3.929 1.637 22 HE22 GLN 3 2HE2 GLN 3 3.377 4.815 2.618 23 H ASN 4 H ASN 4 4.939 2.261 -4.212 24 HA ASN 4 HA ASN 4 3.648 4.558 -5.433 25 HB2 ASN 4 2HB ASN 4 6.191 3.051 -5.901 26 HB3 ASN 4 3HB ASN 4 5.535 4.042 -7.200 27 HD21 ASN 4 1HD2 ASN 4 7.441 4.005 -4.463 28 HD22 ASN 4 2HD2 ASN 4 7.570 5.709 -4.207 29 H GLU 5 H GLU 5 1.752 4.010 -6.368 30 HA GLU 5 HA GLU 5 1.880 2.186 -8.640 31 HB2 GLU 5 2HB GLU 5 0.582 1.539 -6.159 32 HB3 GLU 5 3HB GLU 5 -0.623 1.684 -7.431 33 HG2 GLU 5 2HG GLU 5 1.840 0.072 -7.905 34 HG3 GLU 5 3HG GLU 5 0.513 -0.602 -6.961 35 H GLU 6 H GLU 6 1.358 3.530 -10.243 36 HA GLU 6 HA GLU 6 -0.651 5.599 -9.831 37 HB2 GLU 6 2HB GLU 6 1.004 5.022 -12.293 38 HB3 GLU 6 3HB GLU 6 0.051 6.466 -11.984 39 HG2 GLU 6 2HG GLU 6 1.514 7.058 -10.136 40 HG3 GLU 6 3HG GLU 6 2.456 5.593 -10.400 41 H ALA 7 H ALA 7 -2.672 5.532 -10.603 42 HA ALA 7 HA ALA 7 -3.668 3.085 -11.716 43 HB1 ALA 7 1HB ALA 7 -5.279 3.955 -10.378 44 HB2 ALA 7 2HB ALA 7 -4.841 5.624 -10.746 45 HB3 ALA 7 3HB ALA 7 -5.790 4.687 -11.900 46 HA PRO 8 HA PRO 8 -3.623 3.953 -16.017 47 HB2 PRO 8 2HB PRO 8 -6.010 2.956 -16.839 48 HB3 PRO 8 3HB PRO 8 -4.661 1.929 -16.339 49 HG2 PRO 8 2HG PRO 8 -7.077 2.772 -14.785 50 HG3 PRO 8 3HG PRO 8 -6.306 1.178 -14.877 51 HD2 PRO 8 2HD PRO 8 -5.916 2.867 -12.797 52 HD3 PRO 8 3HD PRO 8 -4.661 1.747 -13.366 53 H ALA 9 H ALA 9 -6.472 5.016 -14.240 54 HA ALA 9 HA ALA 9 -7.868 6.799 -14.481 55 HB1 ALA 9 1HB ALA 9 -6.065 8.398 -16.135 56 HB2 ALA 9 2HB ALA 9 -6.765 8.745 -14.554 57 HB3 ALA 9 3HB ALA 9 -5.315 7.750 -14.676 58 H ARG 10 H ARG 10 -7.743 4.711 -16.615 59 HA ARG 10 HA ARG 10 -8.793 6.292 -18.867 60 HB2 ARG 10 2HB ARG 10 -6.943 4.132 -18.780 61 HB3 ARG 10 3HB ARG 10 -8.396 3.559 -19.590 62 HG2 ARG 10 2HG ARG 10 -7.990 4.768 -21.420 63 HG3 ARG 10 3HG ARG 10 -7.525 6.193 -20.489 64 HD2 ARG 10 2HD ARG 10 -5.660 5.353 -21.827 65 HD3 ARG 10 3HD ARG 10 -5.319 5.235 -20.101 66 HE ARG 10 HE ARG 10 -5.274 2.947 -20.293 67 HH11 ARG 10 1HH1 ARG 10 -6.633 4.333 -23.184 68 HH12 ARG 10 2HH1 ARG 10 -6.619 2.840 -24.063 69 HH21 ARG 10 1HH2 ARG 10 -5.250 0.976 -21.440 70 HH22 ARG 10 2HH2 ARG 10 -5.833 0.931 -23.070 71 H SER 11 H SER 11 -9.338 3.367 -16.935 72 HA SER 11 HA SER 11 -12.127 3.335 -17.875 73 HB2 SER 11 2HB SER 11 -11.733 0.974 -16.482 74 HB3 SER 11 3HB SER 11 -11.669 1.159 -18.235 75 HG SER 11 HG SER 11 -9.581 0.901 -18.177 76 H GLY 12 H GLY 12 -13.826 3.193 -16.399 77 HA2 GLY 12 2HA GLY 12 -14.690 2.984 -14.172 78 HA3 GLY 12 3HA GLY 12 -13.130 3.511 -13.558 79 H GLY 13 H GLY 13 -12.653 5.788 -14.992 80 HA2 GLY 13 2HA GLY 13 -14.297 7.721 -15.600 81 HA3 GLY 13 3HA GLY 13 -14.731 7.553 -13.906 82 H LYS 14 H LYS 14 -13.979 9.948 -14.351 83 HA LYS 14 HA LYS 14 -11.295 10.121 -13.215 84 HB2 LYS 14 2HB LYS 14 -11.548 10.514 -15.875 85 HB3 LYS 14 3HB LYS 14 -11.885 12.141 -15.299 86 HG2 LYS 14 2HG LYS 14 -9.723 11.888 -13.937 87 HG3 LYS 14 3HG LYS 14 -9.383 10.524 -15.005 88 HD2 LYS 14 2HD LYS 14 -8.815 11.873 -16.692 89 HD3 LYS 14 3HD LYS 14 -10.251 12.876 -16.471 90 HE2 LYS 14 2HE LYS 14 -7.806 13.065 -14.722 91 HE3 LYS 14 3HE LYS 14 -8.043 14.049 -16.166 92 HZ1 LYS 14 1HZ LYS 14 -8.741 14.996 -13.904 93 HZ2 LYS 14 2HZ LYS 14 -10.089 13.984 -14.043 94 HZ3 LYS 14 3HZ LYS 14 -9.804 15.177 -15.208 95 H VAL 15 H VAL 15 -11.085 11.706 -11.721 96 HA VAL 15 HA VAL 15 -12.983 13.903 -11.622 97 HB VAL 15 HB VAL 15 -14.134 12.133 -10.366 98 HG11 VAL 15 1HG1 VAL 15 -13.153 11.391 -8.195 99 HG12 VAL 15 2HG1 VAL 15 -12.292 10.800 -9.617 100 HG13 VAL 15 3HG1 VAL 15 -11.635 12.144 -8.682 101 HG21 VAL 15 1HG2 VAL 15 -13.060 14.375 -8.657 102 HG22 VAL 15 2HG2 VAL 15 -14.483 14.436 -9.698 103 HG23 VAL 15 3HG2 VAL 15 -14.476 13.395 -8.275 104 H THR 16 H THR 16 -12.198 15.692 -10.587 105 HA THR 16 HA THR 16 -9.574 15.439 -9.275 106 HB THR 16 HB THR 16 -9.359 16.356 -11.594 107 HG1 THR 16 HG1 THR 16 -7.734 16.990 -10.277 108 HG21 THR 16 1HG2 THR 16 -10.637 18.864 -10.551 109 HG22 THR 16 2HG2 THR 16 -11.590 17.628 -11.373 110 HG23 THR 16 3HG2 THR 16 -10.260 18.421 -12.216 111 H PHE 17 H PHE 17 -9.301 16.575 -7.427 112 HA PHE 17 HA PHE 17 -11.476 18.395 -6.627 113 HB2 PHE 17 2HB PHE 17 -9.901 16.553 -4.817 114 HB3 PHE 17 3HB PHE 17 -11.206 17.628 -4.327 115 HD1 PHE 17 HD1 PHE 17 -10.404 14.617 -6.310 116 HD2 PHE 17 HD2 PHE 17 -13.459 16.974 -4.512 117 HE1 PHE 17 HE1 PHE 17 -12.032 12.821 -6.729 118 HE2 PHE 17 HE2 PHE 17 -15.091 15.180 -4.928 119 HZ PHE 17 HZ PHE 17 -14.379 13.100 -6.036 120 H ARG 18 H ARG 18 -10.923 20.243 -5.479 121 HA ARG 18 HA ARG 18 -8.108 21.015 -5.715 122 HB2 ARG 18 2HB ARG 18 -10.359 22.346 -6.461 123 HB3 ARG 18 3HB ARG 18 -10.086 23.031 -4.864 124 HG2 ARG 18 2HG ARG 18 -7.749 22.876 -6.669 125 HG3 ARG 18 3HG ARG 18 -9.009 24.042 -7.077 126 HD2 ARG 18 2HD ARG 18 -8.386 24.107 -4.256 127 HD3 ARG 18 3HD ARG 18 -6.943 24.369 -5.236 128 HE ARG 18 HE ARG 18 -9.220 25.942 -6.036 129 HH11 ARG 18 1HH1 ARG 18 -6.416 25.766 -3.980 130 HH12 ARG 18 2HH1 ARG 18 -6.280 27.484 -3.800 131 HH21 ARG 18 1HH2 ARG 18 -9.051 28.205 -5.806 132 HH22 ARG 18 2HH2 ARG 18 -7.779 28.870 -4.838 133 H ILE 19 H ILE 19 -6.845 21.040 -3.985 134 HA ILE 19 HA ILE 19 -8.092 21.364 -1.334 135 HB ILE 19 HB ILE 19 -5.641 19.694 -1.886 136 HG12 ILE 19 2HG1 ILE 19 -8.499 18.794 -1.456 137 HG13 ILE 19 3HG1 ILE 19 -7.607 18.691 -2.969 138 HG21 ILE 19 1HG2 ILE 19 -5.485 19.385 0.324 139 HG22 ILE 19 2HG2 ILE 19 -6.517 20.809 0.452 140 HG23 ILE 19 3HG2 ILE 19 -7.228 19.196 0.515 141 HD11 ILE 19 1HD1 ILE 19 -5.962 17.220 -1.753 142 HD12 ILE 19 2HD1 ILE 19 -7.129 17.165 -0.432 143 HD13 ILE 19 3HD1 ILE 19 -7.567 16.540 -2.022 144 H ILE 20 H ILE 20 -7.277 22.926 -0.083 145 HA ILE 20 HA ILE 20 -4.985 24.434 -1.086 146 HB ILE 20 HB ILE 20 -7.076 25.071 0.989 147 HG12 ILE 20 2HG1 ILE 20 -7.345 27.053 -0.657 148 HG13 ILE 20 3HG1 ILE 20 -6.419 26.058 -1.776 149 HG21 ILE 20 1HG2 ILE 20 -5.682 27.393 0.619 150 HG22 ILE 20 2HG2 ILE 20 -5.510 26.310 1.999 151 HG23 ILE 20 3HG2 ILE 20 -4.398 26.184 0.637 152 HD11 ILE 20 1HD1 ILE 20 -9.131 26.036 -1.494 153 HD12 ILE 20 2HD1 ILE 20 -8.167 24.751 -2.222 154 HD13 ILE 20 3HD1 ILE 20 -8.641 24.646 -0.527 155 H LEU 21 H LEU 21 -3.045 23.900 -0.346 156 HA LEU 21 HA LEU 21 -2.686 22.432 2.093 157 HB2 LEU 21 2HB LEU 21 -0.369 22.385 1.536 158 HB3 LEU 21 3HB LEU 21 -1.296 22.107 0.064 159 HG LEU 21 HG LEU 21 -0.423 24.888 0.621 160 HD11 LEU 21 1HD1 LEU 21 1.651 24.023 1.103 161 HD12 LEU 21 2HD1 LEU 21 1.745 24.183 -0.650 162 HD13 LEU 21 3HD1 LEU 21 1.421 22.608 0.075 163 HD21 LEU 21 1HD2 LEU 21 -1.355 24.964 -1.411 164 HD22 LEU 21 2HD2 LEU 21 -1.243 23.218 -1.632 165 HD23 LEU 21 3HD2 LEU 21 0.152 24.242 -1.974 166 H THR 22 H THR 22 -1.336 23.109 3.867 167 HA THR 22 HA THR 22 -1.743 25.932 4.505 168 HB THR 22 HB THR 22 -2.533 24.395 6.189 169 HG1 THR 22 HG1 THR 22 -0.104 25.402 7.242 170 HG21 THR 22 1HG2 THR 22 -0.457 23.164 7.400 171 HG22 THR 22 2HG2 THR 22 0.086 23.116 5.723 172 HG23 THR 22 3HG2 THR 22 -1.463 22.400 6.170 173 H SER 23 H SER 23 0.691 23.899 3.381 174 HA SER 23 HA SER 23 2.909 25.217 4.662 175 HB2 SER 23 2HB SER 23 2.557 23.004 2.718 176 HB3 SER 23 3HB SER 23 4.076 23.896 2.623 177 HG SER 23 HG SER 23 3.942 22.015 4.116 178 H GLU 24 H GLU 24 0.911 25.845 1.988 179 HA GLU 24 HA GLU 24 2.744 27.965 1.109 180 HB2 GLU 24 2HB GLU 24 2.777 25.988 -0.460 181 HB3 GLU 24 3HB GLU 24 1.084 26.317 -0.798 182 HG2 GLU 24 2HG GLU 24 1.714 27.719 -2.381 183 HG3 GLU 24 3HG GLU 24 2.426 28.752 -1.143 184 H ARG 25 H ARG 25 0.814 28.509 2.892 185 HA ARG 25 HA ARG 25 -1.735 29.116 1.913 186 HB2 ARG 25 2HB ARG 25 -0.909 29.104 4.335 187 HB3 ARG 25 3HB ARG 25 -0.317 30.730 4.024 188 HG2 ARG 25 2HG ARG 25 -3.056 30.467 3.181 189 HG3 ARG 25 3HG ARG 25 -2.864 29.988 4.869 190 HD2 ARG 25 2HD ARG 25 -1.499 32.468 3.984 191 HD3 ARG 25 3HD ARG 25 -3.256 32.517 4.130 192 HE ARG 25 HE ARG 25 -1.955 31.402 6.431 193 HH11 ARG 25 1HH1 ARG 25 -2.954 34.348 4.869 194 HH12 ARG 25 2HH1 ARG 25 -3.032 35.256 6.343 195 HH21 ARG 25 1HH2 ARG 25 -2.054 32.586 8.378 196 HH22 ARG 25 2HH2 ARG 25 -2.518 34.253 8.338 197 H SER 26 H SER 26 1.289 30.638 1.370 198 HA SER 26 HA SER 26 0.531 33.279 0.884 199 HB2 SER 26 2HB SER 26 2.842 31.619 0.389 200 HB3 SER 26 3HB SER 26 2.538 32.674 -0.991 201 HG SER 26 HG SER 26 3.642 33.307 1.325 202 H GLN 27 H GLN 27 0.278 30.414 -1.117 203 HA GLN 27 HA GLN 27 -1.718 31.558 -2.761 204 HB2 GLN 27 2HB GLN 27 1.068 31.787 -3.657 205 HB3 GLN 27 3HB GLN 27 -0.005 31.051 -4.839 206 HG2 GLN 27 2HG GLN 27 -1.186 33.404 -3.645 207 HG3 GLN 27 3HG GLN 27 0.373 33.755 -4.389 208 HE21 GLN 27 1HE2 GLN 27 0.445 34.037 -6.513 209 HE22 GLN 27 2HE2 GLN 27 -0.832 33.671 -7.618 210 HA PRO 28 HA PRO 28 -1.435 26.923 -2.531 211 HB2 PRO 28 2HB PRO 28 -3.992 26.571 -1.687 212 HB3 PRO 28 3HB PRO 28 -2.646 26.861 -0.579 213 HG2 PRO 28 2HG PRO 28 -4.684 28.786 -1.629 214 HG3 PRO 28 3HG PRO 28 -4.049 28.617 0.018 215 HD2 PRO 28 2HD PRO 28 -3.183 30.533 -1.688 216 HD3 PRO 28 3HD PRO 28 -2.126 29.793 -0.468 217 H PHE 29 H PHE 29 -2.094 25.558 -4.122 218 HA PHE 29 HA PHE 29 -4.452 25.874 -5.648 219 HB2 PHE 29 2HB PHE 29 -3.578 26.615 -7.757 220 HB3 PHE 29 3HB PHE 29 -3.094 27.790 -6.538 221 HD1 PHE 29 HD1 PHE 29 -2.000 25.993 -9.290 222 HD2 PHE 29 HD2 PHE 29 -0.734 27.209 -5.413 223 HE1 PHE 29 HE1 PHE 29 0.347 25.731 -9.979 224 HE2 PHE 29 HE2 PHE 29 1.616 26.950 -6.096 225 HZ PHE 29 HZ PHE 29 2.159 26.212 -8.381 226 H ARG 30 H ARG 30 -3.156 23.784 -4.276 227 HA ARG 30 HA ARG 30 -2.039 22.047 -6.336 228 HB2 ARG 30 2HB ARG 30 -2.140 22.016 -3.360 229 HB3 ARG 30 3HB ARG 30 -2.030 20.469 -4.188 230 HG2 ARG 30 2HG ARG 30 -0.117 22.766 -4.548 231 HG3 ARG 30 3HG ARG 30 0.162 21.351 -3.531 232 HD2 ARG 30 2HD ARG 30 -0.220 19.967 -5.634 233 HD3 ARG 30 3HD ARG 30 -0.082 21.483 -6.524 234 HE ARG 30 HE ARG 30 2.047 19.960 -5.414 235 HH11 ARG 30 1HH1 ARG 30 1.011 23.215 -6.081 236 HH12 ARG 30 2HH1 ARG 30 2.621 23.843 -6.201 237 HH21 ARG 30 1HH2 ARG 30 4.173 20.774 -5.569 238 HH22 ARG 30 2HH2 ARG 30 4.419 22.453 -5.910 239 H VAL 31 H VAL 31 -3.378 20.886 -7.539 240 HA VAL 31 HA VAL 31 -5.930 19.996 -6.368 241 HB VAL 31 HB VAL 31 -5.274 20.162 -9.308 242 HG11 VAL 31 1HG1 VAL 31 -7.970 20.114 -7.976 243 HG12 VAL 31 2HG1 VAL 31 -7.585 19.855 -9.679 244 HG13 VAL 31 3HG1 VAL 31 -7.127 18.648 -8.477 245 HG21 VAL 31 1HG2 VAL 31 -5.885 22.278 -7.434 246 HG22 VAL 31 2HG2 VAL 31 -5.409 22.379 -9.130 247 HG23 VAL 31 3HG2 VAL 31 -7.107 22.164 -8.701 248 H ILE 32 H ILE 32 -6.454 17.871 -6.330 249 HA ILE 32 HA ILE 32 -4.387 15.990 -7.245 250 HB ILE 32 HB ILE 32 -5.451 14.372 -5.678 251 HG12 ILE 32 2HG1 ILE 32 -6.790 16.249 -3.989 252 HG13 ILE 32 3HG1 ILE 32 -7.473 16.371 -5.606 253 HG21 ILE 32 1HG2 ILE 32 -4.024 16.820 -4.947 254 HG22 ILE 32 2HG2 ILE 32 -4.844 16.030 -3.602 255 HG23 ILE 32 3HG2 ILE 32 -3.665 15.137 -4.561 256 HD11 ILE 32 1HD1 ILE 32 -8.001 14.029 -5.610 257 HD12 ILE 32 2HD1 ILE 32 -7.187 13.808 -4.060 258 HD13 ILE 32 3HD1 ILE 32 -8.659 14.775 -4.154 259 H SER 33 H SER 33 -4.805 14.793 -8.970 260 HA SER 33 HA SER 33 -7.596 14.489 -9.837 261 HB2 SER 33 2HB SER 33 -5.110 13.982 -11.481 262 HB3 SER 33 3HB SER 33 -6.767 14.152 -12.062 263 HG SER 33 HG SER 33 -4.924 16.081 -11.393 264 H ILE 34 H ILE 34 -8.553 12.582 -9.647 265 HA ILE 34 HA ILE 34 -6.979 10.131 -9.818 266 HB ILE 34 HB ILE 34 -8.885 10.563 -7.521 267 HG12 ILE 34 2HG1 ILE 34 -5.860 10.608 -7.477 268 HG13 ILE 34 3HG1 ILE 34 -6.892 12.024 -7.317 269 HG21 ILE 34 1HG2 ILE 34 -7.747 8.513 -6.655 270 HG22 ILE 34 2HG2 ILE 34 -8.700 8.260 -8.117 271 HG23 ILE 34 3HG2 ILE 34 -6.943 8.370 -8.218 272 HD11 ILE 34 1HD1 ILE 34 -7.902 10.548 -5.343 273 HD12 ILE 34 2HD1 ILE 34 -6.259 9.905 -5.367 274 HD13 ILE 34 3HD1 ILE 34 -6.527 11.631 -5.128 275 H ALA 35 H ALA 35 -8.204 8.271 -10.334 276 HA ALA 35 HA ALA 35 -10.523 8.816 -11.919 277 HB1 ALA 35 1HB ALA 35 -8.605 6.741 -11.717 278 HB2 ALA 35 2HB ALA 35 -10.203 6.020 -11.519 279 HB3 ALA 35 3HB ALA 35 -9.840 6.979 -12.954 280 H GLU 36 H GLU 36 -12.625 7.966 -11.642 281 HA GLU 36 HA GLU 36 -13.677 8.181 -9.057 282 HB2 GLU 36 2HB GLU 36 -14.716 8.059 -11.606 283 HB3 GLU 36 3HB GLU 36 -15.288 6.561 -10.886 284 HG2 GLU 36 2HG GLU 36 -15.956 8.152 -8.905 285 HG3 GLU 36 3HG GLU 36 -15.926 9.374 -10.175 286 H GLU 37 H GLU 37 -12.291 5.501 -10.731 287 HA GLU 37 HA GLU 37 -13.152 3.699 -8.563 288 HB2 GLU 37 2HB GLU 37 -13.302 3.384 -11.382 289 HB3 GLU 37 3HB GLU 37 -12.106 2.241 -10.788 290 HG2 GLU 37 2HG GLU 37 -13.962 1.709 -9.013 291 HG3 GLU 37 3HG GLU 37 -15.025 2.388 -10.245 292 H ALA 38 H ALA 38 -10.678 5.554 -9.282 293 HA ALA 38 HA ALA 38 -8.505 3.653 -9.073 294 HB1 ALA 38 1HB ALA 38 -7.185 5.890 -8.837 295 HB2 ALA 38 2HB ALA 38 -7.873 5.430 -10.394 296 HB3 ALA 38 3HB ALA 38 -8.697 6.615 -9.382 297 HA PRO 39 HA PRO 39 -8.025 3.632 -4.710 298 HB2 PRO 39 2HB PRO 39 -5.324 3.494 -4.465 299 HB3 PRO 39 3HB PRO 39 -6.310 2.136 -5.021 300 HG2 PRO 39 2HG PRO 39 -4.713 4.097 -6.622 301 HG3 PRO 39 3HG PRO 39 -4.850 2.340 -6.820 302 HD2 PRO 39 2HD PRO 39 -6.224 4.092 -8.362 303 HD3 PRO 39 3HD PRO 39 -6.867 2.496 -7.925 304 H LEU 40 H LEU 40 -7.332 4.858 -2.893 305 HA LEU 40 HA LEU 40 -7.286 7.653 -3.311 306 HB2 LEU 40 2HB LEU 40 -6.882 7.786 -0.876 307 HB3 LEU 40 3HB LEU 40 -8.247 6.759 -1.311 308 HG LEU 40 HG LEU 40 -5.691 5.346 -0.955 309 HD11 LEU 40 1HD1 LEU 40 -6.642 5.587 1.653 310 HD12 LEU 40 2HD1 LEU 40 -6.584 7.235 1.028 311 HD13 LEU 40 3HD1 LEU 40 -5.134 6.230 1.002 312 HD21 LEU 40 1HD2 LEU 40 -8.059 4.597 0.593 313 HD22 LEU 40 2HD2 LEU 40 -7.055 3.631 -0.487 314 HD23 LEU 40 3HD2 LEU 40 -8.324 4.662 -1.149 315 H THR 41 H THR 41 -4.805 5.276 -3.129 316 HA THR 41 HA THR 41 -2.617 6.678 -2.203 317 HB THR 41 HB THR 41 -2.028 5.051 -4.579 318 HG1 THR 41 HG1 THR 41 -2.699 3.104 -3.474 319 HG21 THR 41 1HG2 THR 41 -1.193 5.095 -1.688 320 HG22 THR 41 2HG2 THR 41 -0.242 5.524 -3.110 321 HG23 THR 41 3HG2 THR 41 -0.660 3.839 -2.804 322 H ALA 42 H ALA 42 -4.273 6.962 -5.258 323 HA ALA 42 HA ALA 42 -2.316 8.271 -6.765 324 HB1 ALA 42 1HB ALA 42 -4.335 7.420 -7.782 325 HB2 ALA 42 2HB ALA 42 -5.316 8.565 -6.867 326 HB3 ALA 42 3HB ALA 42 -4.197 9.150 -8.099 327 H ALA 43 H ALA 43 -4.483 9.451 -4.283 328 HA ALA 43 HA ALA 43 -4.166 12.218 -4.794 329 HB1 ALA 43 1HB ALA 43 -5.824 12.247 -3.321 330 HB2 ALA 43 2HB ALA 43 -5.500 10.574 -2.863 331 HB3 ALA 43 3HB ALA 43 -4.655 11.890 -2.049 332 H LEU 44 H LEU 44 -2.425 9.926 -2.745 333 HA LEU 44 HA LEU 44 -0.852 11.625 -1.258 334 HB2 LEU 44 2HB LEU 44 -0.958 9.109 -1.154 335 HB3 LEU 44 3HB LEU 44 0.151 9.084 -2.523 336 HG LEU 44 HG LEU 44 1.537 10.642 -0.803 337 HD11 LEU 44 1HD1 LEU 44 -0.410 10.068 0.850 338 HD12 LEU 44 2HD1 LEU 44 1.264 10.087 1.404 339 HD13 LEU 44 3HD1 LEU 44 0.474 8.553 1.037 340 HD21 LEU 44 1HD2 LEU 44 2.581 8.338 -0.107 341 HD22 LEU 44 2HD2 LEU 44 2.706 8.920 -1.768 342 HD23 LEU 44 3HD2 LEU 44 1.491 7.712 -1.345 343 H ARG 45 H ARG 45 -0.597 10.815 -4.642 344 HA ARG 45 HA ARG 45 2.011 11.589 -5.190 345 HB2 ARG 45 2HB ARG 45 0.278 10.538 -6.755 346 HB3 ARG 45 3HB ARG 45 -0.301 12.176 -7.029 347 HG2 ARG 45 2HG ARG 45 2.399 12.421 -7.439 348 HG3 ARG 45 3HG ARG 45 2.045 10.817 -8.086 349 HD2 ARG 45 2HD ARG 45 0.419 13.246 -8.793 350 HD3 ARG 45 3HD ARG 45 1.857 12.773 -9.697 351 HE ARG 45 HE ARG 45 0.257 10.530 -9.580 352 HH11 ARG 45 1HH1 ARG 45 0.005 13.774 -10.821 353 HH12 ARG 45 2HH1 ARG 45 -1.075 13.338 -12.104 354 HH21 ARG 45 1HH2 ARG 45 -1.163 9.945 -11.266 355 HH22 ARG 45 2HH2 ARG 45 -1.739 11.160 -12.356 356 H PHE 46 H PHE 46 -0.936 13.588 -5.285 357 HA PHE 46 HA PHE 46 0.648 15.998 -5.603 358 HB2 PHE 46 2HB PHE 46 -2.180 15.253 -5.894 359 HB3 PHE 46 3HB PHE 46 -1.926 16.851 -5.202 360 HD1 PHE 46 HD1 PHE 46 0.053 18.185 -6.499 361 HD2 PHE 46 HD2 PHE 46 -2.475 15.188 -8.157 362 HE1 PHE 46 HE1 PHE 46 0.455 19.095 -8.750 363 HE2 PHE 46 HE2 PHE 46 -2.076 16.093 -10.410 364 HZ PHE 46 HZ PHE 46 -0.609 18.049 -10.709 365 H ALA 47 H ALA 47 -0.909 14.220 -3.086 366 HA ALA 47 HA ALA 47 -1.185 16.334 -1.206 367 HB1 ALA 47 1HB ALA 47 -2.418 14.716 -0.306 368 HB2 ALA 47 2HB ALA 47 -1.613 13.473 -1.264 369 HB3 ALA 47 3HB ALA 47 -0.911 14.000 0.266 370 H ALA 48 H ALA 48 1.420 14.163 -2.069 371 HA ALA 48 HA ALA 48 3.061 14.449 0.171 372 HB1 ALA 48 1HB ALA 48 4.936 13.983 -1.491 373 HB2 ALA 48 2HB ALA 48 3.653 12.779 -1.366 374 HB3 ALA 48 3HB ALA 48 3.672 13.909 -2.719 375 H GLU 49 H GLU 49 2.592 16.539 -2.615 376 HA GLU 49 HA GLU 49 4.771 18.290 -1.911 377 HB2 GLU 49 2HB GLU 49 2.542 18.913 -3.839 378 HB3 GLU 49 3HB GLU 49 4.175 19.564 -3.820 379 HG2 GLU 49 2HG GLU 49 4.732 16.960 -4.131 380 HG3 GLU 49 3HG GLU 49 3.156 17.029 -4.918 381 H GLU 50 H GLU 50 1.282 18.216 -1.509 382 HA GLU 50 HA GLU 50 0.865 20.856 -0.694 383 HB2 GLU 50 2HB GLU 50 -0.571 18.295 -0.009 384 HB3 GLU 50 3HB GLU 50 -1.119 19.864 0.564 385 HG2 GLU 50 2HG GLU 50 -1.028 20.508 -1.956 386 HG3 GLU 50 3HG GLU 50 -1.092 18.764 -2.205 387 H PHE 51 H PHE 51 1.727 17.982 1.189 388 HA PHE 51 HA PHE 51 1.986 19.614 3.598 389 HB2 PHE 51 2HB PHE 51 1.261 16.911 3.096 390 HB3 PHE 51 3HB PHE 51 2.744 16.895 4.045 391 HD1 PHE 51 HD1 PHE 51 -0.775 17.163 4.150 392 HD2 PHE 51 HD2 PHE 51 2.771 18.400 6.152 393 HE1 PHE 51 HE1 PHE 51 -2.083 17.603 6.187 394 HE2 PHE 51 HE2 PHE 51 1.469 18.841 8.193 395 HZ PHE 51 HZ PHE 51 -0.961 18.442 8.213 396 H GLY 52 H GLY 52 3.892 18.170 1.130 397 HA2 GLY 52 2HA GLY 52 6.151 18.293 0.713 398 HA3 GLY 52 3HA GLY 52 6.272 19.414 2.061 399 H ILE 53 H ILE 53 4.799 16.507 2.944 400 HA ILE 53 HA ILE 53 7.328 15.239 3.693 401 HB ILE 53 HB ILE 53 6.705 14.940 5.988 402 HG12 ILE 53 2HG1 ILE 53 4.478 16.635 6.352 403 HG13 ILE 53 3HG1 ILE 53 4.078 15.580 5.001 404 HG21 ILE 53 1HG2 ILE 53 7.835 17.041 5.372 405 HG22 ILE 53 2HG2 ILE 53 6.261 17.826 5.239 406 HG23 ILE 53 3HG2 ILE 53 6.813 17.217 6.799 407 HD11 ILE 53 1HD1 ILE 53 5.023 13.747 6.675 408 HD12 ILE 53 2HD1 ILE 53 4.484 14.942 7.855 409 HD13 ILE 53 3HD1 ILE 53 3.341 14.276 6.690 410 H ALA 54 H ALA 54 6.470 13.178 5.190 411 HA ALA 54 HA ALA 54 4.227 11.904 3.824 412 HB1 ALA 54 1HB ALA 54 6.296 11.386 2.521 413 HB2 ALA 54 2HB ALA 54 6.919 10.557 3.949 414 HB3 ALA 54 3HB ALA 54 5.457 9.970 3.156 415 H SER 55 H SER 55 3.259 12.135 5.915 416 HA SER 55 HA SER 55 3.409 9.841 7.512 417 HB2 SER 55 2HB SER 55 5.163 12.087 8.323 418 HB3 SER 55 3HB SER 55 4.194 11.362 9.606 419 HG SER 55 HG SER 55 6.347 10.411 9.136 420 H VAL 56 H VAL 56 3.084 13.212 8.587 421 HA VAL 56 HA VAL 56 0.566 12.728 9.814 422 HB VAL 56 HB VAL 56 2.033 14.460 10.674 423 HG11 VAL 56 1HG1 VAL 56 2.090 15.276 7.895 424 HG12 VAL 56 2HG1 VAL 56 1.742 16.629 8.972 425 HG13 VAL 56 3HG1 VAL 56 3.201 15.665 9.208 426 HG21 VAL 56 1HG2 VAL 56 0.391 15.973 11.228 427 HG22 VAL 56 2HG2 VAL 56 -0.281 16.008 9.598 428 HG23 VAL 56 3HG2 VAL 56 -0.581 14.622 10.645 429 H ASP 57 H ASP 57 1.521 13.579 6.627 430 HA ASP 57 HA ASP 57 -0.775 14.965 5.767 431 HB2 ASP 57 2HB ASP 57 1.170 15.063 4.394 432 HB3 ASP 57 3HB ASP 57 1.264 13.308 4.284 433 H SER 58 H SER 58 -0.234 11.657 6.485 434 HA SER 58 HA SER 58 -2.102 10.415 4.809 435 HB2 SER 58 2HB SER 58 -0.468 9.141 6.109 436 HB3 SER 58 3HB SER 58 -1.247 9.643 7.610 437 HG SER 58 HG SER 58 -1.999 7.611 7.066 438 H MET 59 H MET 59 -2.492 12.228 7.764 439 HA MET 59 HA MET 59 -5.349 12.334 7.345 440 HB2 MET 59 2HB MET 59 -4.112 10.788 9.563 441 HB3 MET 59 3HB MET 59 -5.521 11.765 9.952 442 HG2 MET 59 2HG MET 59 -6.762 10.065 9.272 443 HG3 MET 59 3HG MET 59 -6.240 10.442 7.632 444 HE1 MET 59 1HE MET 59 -4.818 7.002 10.296 445 HE2 MET 59 2HE MET 59 -4.568 8.662 10.837 446 HE3 MET 59 3HE MET 59 -6.203 8.063 10.555 447 H ALA 60 H ALA 60 -4.550 14.537 6.957 448 HA ALA 60 HA ALA 60 -4.688 16.095 9.411 449 HB1 ALA 60 1HB ALA 60 -2.446 16.288 9.458 450 HB2 ALA 60 2HB ALA 60 -2.266 15.842 7.760 451 HB3 ALA 60 3HB ALA 60 -2.720 17.490 8.196 452 H ALA 61 H ALA 61 -6.806 16.352 8.258 453 HA ALA 61 HA ALA 61 -6.812 18.863 6.867 454 HB1 ALA 61 1HB ALA 61 -6.333 17.242 5.039 455 HB2 ALA 61 2HB ALA 61 -7.887 16.477 5.373 456 HB3 ALA 61 3HB ALA 61 -7.829 18.150 4.819 457 H THR 62 H THR 62 -8.921 19.775 6.674 458 HA THR 62 HA THR 62 -11.098 18.310 7.973 459 HB THR 62 HB THR 62 -11.630 20.054 9.505 460 HG1 THR 62 HG1 THR 62 -11.190 21.977 8.675 461 HG21 THR 62 1HG2 THR 62 -9.796 19.991 10.993 462 HG22 THR 62 2HG2 THR 62 -8.631 19.859 9.676 463 HG23 THR 62 3HG2 THR 62 -9.689 18.501 10.057 464 H THR 63 H THR 63 -13.199 19.160 7.539 465 HA THR 63 HA THR 63 -13.346 20.468 4.949 466 HB THR 63 HB THR 63 -15.864 19.829 6.350 467 HG1 THR 63 HG1 THR 63 -15.517 17.727 6.554 468 HG21 THR 63 1HG2 THR 63 -16.157 18.620 4.078 469 HG22 THR 63 2HG2 THR 63 -14.688 19.478 3.614 470 HG23 THR 63 3HG2 THR 63 -16.121 20.383 4.103 471 H LYS 64 H LYS 64 -14.980 22.183 4.590 472 HA LYS 64 HA LYS 64 -14.513 24.391 6.276 473 HB2 LYS 64 2HB LYS 64 -16.796 24.165 4.320 474 HB3 LYS 64 3HB LYS 64 -15.951 25.620 4.833 475 HG2 LYS 64 2HG LYS 64 -13.902 24.227 3.775 476 HG3 LYS 64 3HG LYS 64 -15.238 23.637 2.782 477 HD2 LYS 64 2HD LYS 64 -15.435 25.589 1.699 478 HD3 LYS 64 3HD LYS 64 -15.279 26.529 3.185 479 HE2 LYS 64 2HE LYS 64 -12.997 26.682 3.008 480 HE3 LYS 64 3HE LYS 64 -12.859 25.186 2.086 481 HZ1 LYS 64 1HZ LYS 64 -13.749 27.839 1.110 482 HZ2 LYS 64 2HZ LYS 64 -13.963 26.417 0.220 483 HZ3 LYS 64 3HZ LYS 64 -12.403 26.945 0.606 484 H ASP 65 H ASP 65 -16.945 21.928 6.276 485 HA ASP 65 HA ASP 65 -18.835 23.360 7.890 486 HB2 ASP 65 2HB ASP 65 -18.910 21.047 6.364 487 HB3 ASP 65 3HB ASP 65 -19.025 20.452 8.018 488 H GLY 66 H GLY 66 -15.991 21.509 8.482 489 HA2 GLY 66 2HA GLY 66 -15.343 22.182 10.946 490 HA3 GLY 66 3HA GLY 66 -16.675 21.090 11.295 491 H THR 67 H THR 67 -16.174 19.031 11.621 492 HA THR 67 HA THR 67 -13.501 18.108 11.426 493 HB THR 67 HB THR 67 -15.239 15.869 11.582 494 HG1 THR 67 HG1 THR 67 -16.961 16.655 12.509 495 HG21 THR 67 1HG2 THR 67 -13.068 16.197 12.733 496 HG22 THR 67 2HG2 THR 67 -14.353 15.684 13.826 497 HG23 THR 67 3HG2 THR 67 -13.841 17.371 13.797 498 H GLY 68 H GLY 68 -12.450 17.103 9.824 499 HA2 GLY 68 2HA GLY 68 -14.027 15.950 7.618 500 HA3 GLY 68 3HA GLY 68 -12.732 17.085 7.269 501 H ILE 69 H ILE 69 -13.384 13.983 8.864 502 HA ILE 69 HA ILE 69 -10.605 13.216 8.766 503 HB ILE 69 HB ILE 69 -12.008 12.451 10.617 504 HG12 ILE 69 2HG1 ILE 69 -11.368 10.083 10.577 505 HG13 ILE 69 3HG1 ILE 69 -11.121 10.170 8.836 506 HG21 ILE 69 1HG2 ILE 69 -13.444 10.410 9.103 507 HG22 ILE 69 2HG2 ILE 69 -14.009 11.481 10.384 508 HG23 ILE 69 3HG2 ILE 69 -13.940 12.058 8.719 509 HD11 ILE 69 1HD1 ILE 69 -9.247 10.618 10.857 510 HD12 ILE 69 2HD1 ILE 69 -9.044 10.865 9.123 511 HD13 ILE 69 3HD1 ILE 69 -9.579 12.197 10.147 512 H ASN 70 H ASN 70 -9.608 12.145 7.186 513 HA ASN 70 HA ASN 70 -11.256 11.054 5.005 514 HB2 ASN 70 2HB ASN 70 -9.105 11.278 3.659 515 HB3 ASN 70 3HB ASN 70 -9.884 12.784 4.136 516 HD21 ASN 70 1HD2 ASN 70 -8.904 14.109 5.631 517 HD22 ASN 70 2HD2 ASN 70 -7.266 13.895 6.137 518 HA PRO 71 HA PRO 71 -9.419 7.340 7.021 519 HB2 PRO 71 2HB PRO 71 -11.592 5.771 6.591 520 HB3 PRO 71 3HB PRO 71 -11.443 6.844 7.987 521 HG2 PRO 71 2HG PRO 71 -12.922 7.270 5.419 522 HG3 PRO 71 3HG PRO 71 -13.432 7.635 7.078 523 HD2 PRO 71 2HD PRO 71 -12.478 9.531 5.397 524 HD3 PRO 71 3HD PRO 71 -12.223 9.596 7.153 525 H ALA 72 H ALA 72 -11.499 7.302 4.119 526 HA ALA 72 HA ALA 72 -9.696 5.333 2.903 527 HB1 ALA 72 1HB ALA 72 -12.150 4.876 2.990 528 HB2 ALA 72 2HB ALA 72 -12.386 6.236 1.892 529 HB3 ALA 72 3HB ALA 72 -11.456 4.832 1.369 530 H GLN 73 H GLN 73 -10.819 8.613 2.606 531 HA GLN 73 HA GLN 73 -10.293 10.318 1.191 532 HB2 GLN 73 2HB GLN 73 -7.725 9.058 0.409 533 HB3 GLN 73 3HB GLN 73 -8.052 10.691 0.973 534 HG2 GLN 73 2HG GLN 73 -8.542 9.435 3.239 535 HG3 GLN 73 3HG GLN 73 -7.483 8.224 2.519 536 HE21 GLN 73 1HE2 GLN 73 -5.749 8.490 3.825 537 HE22 GLN 73 2HE2 GLN 73 -4.814 9.940 3.908 538 H THR 74 H THR 74 -11.609 7.913 0.079 539 HA THR 74 HA THR 74 -10.574 7.574 -2.583 540 HB THR 74 HB THR 74 -13.374 6.786 -2.024 541 HG1 THR 74 HG1 THR 74 -12.439 4.913 -0.823 542 HG21 THR 74 1HG2 THR 74 -12.050 4.571 -2.844 543 HG22 THR 74 2HG2 THR 74 -11.033 5.832 -3.541 544 HG23 THR 74 3HG2 THR 74 -12.750 5.762 -3.939 545 H ALA 75 H ALA 75 -11.892 8.002 -4.519 546 HA ALA 75 HA ALA 75 -12.627 10.708 -4.700 547 HB1 ALA 75 1HB ALA 75 -12.155 10.120 -6.798 548 HB2 ALA 75 2HB ALA 75 -12.493 8.417 -6.486 549 HB3 ALA 75 3HB ALA 75 -13.811 9.520 -6.882 550 H GLY 76 H GLY 76 -14.623 7.760 -4.638 551 HA2 GLY 76 2HA GLY 76 -17.107 9.109 -4.817 552 HA3 GLY 76 3HA GLY 76 -16.869 7.460 -4.257 553 H ASN 77 H ASN 77 -15.148 8.078 -2.067 554 HA ASN 77 HA ASN 77 -17.122 8.698 -0.106 555 HB2 ASN 77 2HB ASN 77 -14.129 8.323 0.135 556 HB3 ASN 77 3HB ASN 77 -15.226 8.482 1.503 557 HD21 ASN 77 1HD2 ASN 77 -16.148 6.710 2.280 558 HD22 ASN 77 2HD2 ASN 77 -16.137 5.159 1.519 559 H VAL 78 H VAL 78 -14.008 10.284 -0.841 560 HA VAL 78 HA VAL 78 -14.330 12.544 0.705 561 HB VAL 78 HB VAL 78 -12.959 12.356 -1.981 562 HG11 VAL 78 1HG1 VAL 78 -11.663 14.239 -0.393 563 HG12 VAL 78 2HG1 VAL 78 -12.674 14.557 -1.804 564 HG13 VAL 78 3HG1 VAL 78 -13.381 14.582 -0.188 565 HG21 VAL 78 1HG2 VAL 78 -12.362 11.011 0.340 566 HG22 VAL 78 2HG2 VAL 78 -11.234 11.353 -0.971 567 HG23 VAL 78 3HG2 VAL 78 -11.314 12.427 0.425 568 H PHE 79 H PHE 79 -15.528 11.913 -2.554 569 HA PHE 79 HA PHE 79 -16.395 14.454 -3.248 570 HB2 PHE 79 2HB PHE 79 -16.421 12.680 -4.873 571 HB3 PHE 79 3HB PHE 79 -17.572 11.753 -3.916 572 HD1 PHE 79 HD1 PHE 79 -17.212 14.988 -5.714 573 HD2 PHE 79 HD2 PHE 79 -19.836 11.925 -4.353 574 HE1 PHE 79 HE1 PHE 79 -19.069 16.037 -6.942 575 HE2 PHE 79 HE2 PHE 79 -21.696 12.969 -5.579 576 HZ PHE 79 HZ PHE 79 -21.314 15.027 -6.876 577 H MET 80 H MET 80 -17.848 12.087 -1.117 578 HA MET 80 HA MET 80 -20.226 13.752 -0.776 579 HB2 MET 80 2HB MET 80 -19.667 10.943 -0.569 580 HB3 MET 80 3HB MET 80 -20.322 11.522 0.957 581 HG2 MET 80 2HG MET 80 -22.346 12.079 0.038 582 HG3 MET 80 3HG MET 80 -21.676 12.294 -1.577 583 HE1 MET 80 1HE MET 80 -24.367 10.940 -1.157 584 HE2 MET 80 2HE MET 80 -24.405 9.180 -1.046 585 HE3 MET 80 3HE MET 80 -24.016 10.146 0.379 586 H LYS 81 H LYS 81 -17.274 12.889 0.806 587 HA LYS 81 HA LYS 81 -18.046 13.683 3.439 588 HB2 LYS 81 2HB LYS 81 -15.289 13.394 2.229 589 HB3 LYS 81 3HB LYS 81 -15.640 13.558 3.945 590 HG2 LYS 81 2HG LYS 81 -16.998 11.353 2.526 591 HG3 LYS 81 3HG LYS 81 -15.253 11.205 2.747 592 HD2 LYS 81 2HD LYS 81 -16.905 12.023 5.083 593 HD3 LYS 81 3HD LYS 81 -16.962 10.335 4.569 594 HE2 LYS 81 2HE LYS 81 -14.284 10.835 4.531 595 HE3 LYS 81 3HE LYS 81 -14.813 11.844 5.877 596 HZ1 LYS 81 1HZ LYS 81 -14.463 9.880 6.944 597 HZ2 LYS 81 2HZ LYS 81 -14.869 8.929 5.605 598 HZ3 LYS 81 3HZ LYS 81 -16.087 9.664 6.521 599 H TYR 82 H TYR 82 -15.893 15.189 1.024 600 HA TYR 82 HA TYR 82 -16.476 17.791 2.279 601 HB2 TYR 82 2HB TYR 82 -14.042 17.362 0.594 602 HB3 TYR 82 3HB TYR 82 -14.299 18.496 1.915 603 HD1 TYR 82 HD1 TYR 82 -12.299 15.941 1.100 604 HD2 TYR 82 HD2 TYR 82 -15.092 16.925 4.156 605 HE1 TYR 82 HE1 TYR 82 -11.152 14.400 2.637 606 HE2 TYR 82 HE2 TYR 82 -13.952 15.388 5.701 607 HH TYR 82 HH TYR 82 -11.188 14.424 5.632 608 H GLY 83 H GLY 83 -16.350 15.949 -0.664 609 HA2 GLY 83 2HA GLY 83 -16.979 16.430 -2.822 610 HA3 GLY 83 3HA GLY 83 -18.151 17.501 -2.069 611 H GLN 84 H GLN 84 -14.722 17.367 -3.004 612 HA GLN 84 HA GLN 84 -13.285 18.980 -3.731 613 HB2 GLN 84 2HB GLN 84 -15.788 20.161 -4.947 614 HB3 GLN 84 3HB GLN 84 -14.133 20.450 -5.468 615 HG2 GLN 84 2HG GLN 84 -13.908 18.293 -6.341 616 HG3 GLN 84 3HG GLN 84 -15.322 17.701 -5.471 617 HE21 GLN 84 1HE2 GLN 84 -15.663 16.942 -7.783 618 HE22 GLN 84 2HE2 GLN 84 -16.592 17.985 -8.799 619 H GLU 85 H GLU 85 -13.590 19.475 -1.221 620 HA GLU 85 HA GLU 85 -13.260 22.252 -0.934 621 HB2 GLU 85 2HB GLU 85 -15.849 21.890 -1.169 622 HB3 GLU 85 3HB GLU 85 -15.732 21.370 0.506 623 HG2 GLU 85 2HG GLU 85 -16.139 23.556 0.874 624 HG3 GLU 85 3HG GLU 85 -14.388 23.656 0.704 625 H ILE 86 H ILE 86 -11.403 21.078 -0.027 626 HA ILE 86 HA ILE 86 -11.814 20.601 2.835 627 HB ILE 86 HB ILE 86 -11.741 18.381 1.875 628 HG12 ILE 86 2HG1 ILE 86 -9.122 19.114 3.202 629 HG13 ILE 86 3HG1 ILE 86 -10.624 18.715 4.030 630 HG21 ILE 86 1HG2 ILE 86 -9.936 19.547 0.058 631 HG22 ILE 86 2HG2 ILE 86 -9.053 18.279 0.908 632 HG23 ILE 86 3HG2 ILE 86 -10.553 17.895 0.065 633 HD11 ILE 86 1HD1 ILE 86 -10.028 16.586 2.270 634 HD12 ILE 86 2HD1 ILE 86 -8.558 16.982 3.161 635 HD13 ILE 86 3HD1 ILE 86 -10.040 16.589 4.033 636 H ARG 87 H ARG 87 -10.115 21.204 4.148 637 HA ARG 87 HA ARG 87 -7.922 22.631 2.795 638 HB2 ARG 87 2HB ARG 87 -9.756 23.493 4.785 639 HB3 ARG 87 3HB ARG 87 -8.169 23.408 5.536 640 HG2 ARG 87 2HG ARG 87 -8.214 24.689 2.898 641 HG3 ARG 87 3HG ARG 87 -9.111 25.537 4.159 642 HD2 ARG 87 2HD ARG 87 -6.288 24.569 4.536 643 HD3 ARG 87 3HD ARG 87 -6.670 26.164 3.888 644 HE ARG 87 HE ARG 87 -8.024 25.696 6.342 645 HH11 ARG 87 1HH1 ARG 87 -4.918 26.513 4.997 646 HH12 ARG 87 2HH1 ARG 87 -4.384 27.362 6.410 647 HH21 ARG 87 1HH2 ARG 87 -7.332 26.811 8.208 648 HH22 ARG 87 2HH2 ARG 87 -5.758 27.530 8.236 649 H LEU 88 H LEU 88 -5.820 22.406 3.564 650 HA LEU 88 HA LEU 88 -5.320 19.915 4.976 651 HB2 LEU 88 2HB LEU 88 -4.125 20.736 2.852 652 HB3 LEU 88 3HB LEU 88 -3.226 21.794 3.937 653 HG LEU 88 HG LEU 88 -2.488 19.733 5.173 654 HD11 LEU 88 1HD1 LEU 88 -4.357 18.319 4.244 655 HD12 LEU 88 2HD1 LEU 88 -2.751 17.592 4.206 656 HD13 LEU 88 3HD1 LEU 88 -3.450 18.262 2.732 657 HD21 LEU 88 1HD2 LEU 88 -1.324 19.092 2.667 658 HD22 LEU 88 2HD2 LEU 88 -0.643 20.046 3.985 659 HD23 LEU 88 3HD2 LEU 88 -1.583 20.836 2.718 660 H ILE 89 H ILE 89 -5.191 19.917 7.113 661 HA ILE 89 HA ILE 89 -3.837 22.172 8.436 662 HB ILE 89 HB ILE 89 -6.260 20.717 9.501 663 HG12 ILE 89 2HG1 ILE 89 -5.988 23.578 8.555 664 HG13 ILE 89 3HG1 ILE 89 -6.749 22.286 7.633 665 HG21 ILE 89 1HG2 ILE 89 -6.180 22.283 11.341 666 HG22 ILE 89 2HG2 ILE 89 -4.647 21.420 11.227 667 HG23 ILE 89 3HG2 ILE 89 -4.771 23.078 10.639 668 HD11 ILE 89 1HD1 ILE 89 -7.703 23.676 10.089 669 HD12 ILE 89 2HD1 ILE 89 -8.556 23.335 8.583 670 HD13 ILE 89 3HD1 ILE 89 -8.250 22.037 9.737 671 HA PRO 90 HA PRO 90 -1.296 18.962 10.113 672 HB2 PRO 90 2HB PRO 90 -0.035 20.464 11.989 673 HB3 PRO 90 3HB PRO 90 0.343 20.564 10.266 674 HG2 PRO 90 2HG PRO 90 -1.380 22.355 11.935 675 HG3 PRO 90 3HG PRO 90 -0.189 22.787 10.695 676 HD2 PRO 90 2HD PRO 90 -2.852 22.752 10.207 677 HD3 PRO 90 3HD PRO 90 -1.649 22.357 8.964 678 H ARG 91 H ARG 91 -3.062 17.750 11.026 679 HA ARG 91 HA ARG 91 -3.461 18.263 13.901 680 HB2 ARG 91 2HB ARG 91 -5.440 18.325 12.110 681 HB3 ARG 91 3HB ARG 91 -5.408 16.591 12.397 682 HG2 ARG 91 2HG ARG 91 -6.147 16.788 14.544 683 HG3 ARG 91 3HG ARG 91 -5.449 18.395 14.754 684 HD2 ARG 91 2HD ARG 91 -7.645 18.071 12.778 685 HD3 ARG 91 3HD ARG 91 -8.060 18.016 14.491 686 HE ARG 91 HE ARG 91 -7.282 20.319 12.976 687 HH11 ARG 91 1HH1 ARG 91 -7.322 18.892 16.151 688 HH12 ARG 91 2HH1 ARG 91 -7.274 20.413 16.979 689 HH21 ARG 91 1HH2 ARG 91 -7.219 22.329 14.054 690 HH22 ARG 91 2HH2 ARG 91 -7.216 22.368 15.784 691 H ASP 92 H ASP 92 -3.826 16.326 15.223 692 HA ASP 92 HA ASP 92 -3.211 14.283 16.012 693 HB2 ASP 92 2HB ASP 92 -3.003 13.427 13.122 694 HB3 ASP 92 3HB ASP 92 -3.264 12.397 14.526 695 H ARG 93 H ARG 93 -1.218 16.104 15.967 696 HA ARG 93 HA ARG 93 1.107 14.487 15.990 697 HB2 ARG 93 2HB ARG 93 1.086 14.745 13.596 698 HB3 ARG 93 3HB ARG 93 0.846 16.481 13.737 699 HG2 ARG 93 2HG ARG 93 3.058 16.754 14.661 700 HG3 ARG 93 3HG ARG 93 3.301 15.006 14.663 701 HD2 ARG 93 2HD ARG 93 3.366 14.906 12.315 702 HD3 ARG 93 3HD ARG 93 2.678 16.520 12.147 703 HE ARG 93 HE ARG 93 4.774 17.417 12.434 704 HH11 ARG 93 1HH1 ARG 93 4.818 14.043 13.290 705 HH12 ARG 93 2HH1 ARG 93 6.544 13.963 13.416 706 HH21 ARG 93 1HH2 ARG 93 7.047 17.325 12.596 707 HH22 ARG 93 2HH2 ARG 93 7.811 15.831 13.022 708 H VAL 94 H VAL 94 0.469 17.923 15.264 709 HA VAL 94 HA VAL 94 2.205 18.673 17.493 710 HB VAL 94 HB VAL 94 0.946 20.410 15.365 711 HG11 VAL 94 1HG1 VAL 94 3.013 21.027 17.472 712 HG12 VAL 94 2HG1 VAL 94 2.574 22.103 16.144 713 HG13 VAL 94 3HG1 VAL 94 1.378 21.680 17.371 714 HG21 VAL 94 1HG2 VAL 94 3.784 19.421 15.622 715 HG22 VAL 94 2HG2 VAL 94 2.592 18.814 14.473 716 HG23 VAL 94 3HG2 VAL 94 3.157 20.481 14.360 717 H GLY 95 H GLY 95 -1.137 18.793 16.471 718 HA2 GLY 95 2HA GLY 95 -1.937 20.585 18.593 719 HA3 GLY 95 3HA GLY 95 -3.001 19.762 17.462 Start of MODEL 9 1 H1 MET 1 H MET 1 11.783 2.385 0.784 2 HA MET 1 HA MET 1 9.763 1.610 0.083 3 HB2 MET 1 2HB MET 1 9.161 4.512 -0.505 4 HB3 MET 1 3HB MET 1 7.990 3.228 -0.235 5 HG2 MET 1 2HG MET 1 9.977 4.128 1.832 6 HG3 MET 1 3HG MET 1 8.345 4.778 1.690 7 HE1 MET 1 1HE MET 1 8.864 2.394 4.835 8 HE2 MET 1 2HE MET 1 9.355 3.944 4.153 9 HE3 MET 1 3HE MET 1 7.656 3.640 4.520 10 H SER 2 H SER 2 9.814 0.411 -1.701 11 HA SER 2 HA SER 2 10.290 1.720 -4.286 12 HB2 SER 2 2HB SER 2 10.497 -1.183 -3.457 13 HB3 SER 2 3HB SER 2 10.720 -0.608 -5.109 14 HG SER 2 HG SER 2 12.725 -0.444 -4.447 15 H GLN 3 H GLN 3 8.296 2.472 -4.867 16 HA GLN 3 HA GLN 3 6.351 0.447 -5.636 17 HB2 GLN 3 2HB GLN 3 5.999 1.949 -3.298 18 HB3 GLN 3 3HB GLN 3 4.953 2.705 -4.492 19 HG2 GLN 3 2HG GLN 3 3.523 0.987 -4.513 20 HG3 GLN 3 3HG GLN 3 4.809 -0.216 -4.442 21 HE21 GLN 3 1HE2 GLN 3 4.492 -1.479 -2.762 22 HE22 GLN 3 2HE2 GLN 3 4.041 -0.969 -1.174 23 H ASN 4 H ASN 4 4.577 1.422 -6.986 24 HA ASN 4 HA ASN 4 5.779 3.230 -8.900 25 HB2 ASN 4 2HB ASN 4 4.087 2.577 -10.387 26 HB3 ASN 4 3HB ASN 4 4.379 1.125 -9.435 27 HD21 ASN 4 1HD2 ASN 4 2.009 2.072 -10.929 28 HD22 ASN 4 2HD2 ASN 4 0.712 2.045 -9.787 29 H GLU 5 H GLU 5 4.781 5.167 -9.651 30 HA GLU 5 HA GLU 5 2.814 6.359 -7.824 31 HB2 GLU 5 2HB GLU 5 4.114 8.533 -8.067 32 HB3 GLU 5 3HB GLU 5 4.829 7.302 -7.036 33 HG2 GLU 5 2HG GLU 5 6.329 6.649 -8.845 34 HG3 GLU 5 3HG GLU 5 5.610 7.877 -9.885 35 H GLU 6 H GLU 6 1.748 5.426 -9.954 36 HA GLU 6 HA GLU 6 0.800 7.653 -11.402 37 HB2 GLU 6 2HB GLU 6 3.152 7.120 -12.415 38 HB3 GLU 6 3HB GLU 6 2.311 5.789 -13.196 39 HG2 GLU 6 2HG GLU 6 0.637 7.728 -13.863 40 HG3 GLU 6 3HG GLU 6 2.088 8.707 -13.652 41 H ALA 7 H ALA 7 -1.202 6.825 -10.900 42 HA ALA 7 HA ALA 7 -1.936 4.117 -11.481 43 HB1 ALA 7 1HB ALA 7 -3.092 6.366 -10.110 44 HB2 ALA 7 2HB ALA 7 -4.277 5.615 -11.181 45 HB3 ALA 7 3HB ALA 7 -3.459 4.647 -9.954 46 HA PRO 8 HA PRO 8 -3.333 4.407 -15.630 47 HB2 PRO 8 2HB PRO 8 -5.587 2.894 -15.594 48 HB3 PRO 8 3HB PRO 8 -3.964 2.204 -15.471 49 HG2 PRO 8 2HG PRO 8 -5.943 2.791 -13.303 50 HG3 PRO 8 3HG PRO 8 -4.912 1.365 -13.520 51 HD2 PRO 8 2HD PRO 8 -4.301 3.355 -11.788 52 HD3 PRO 8 3HD PRO 8 -3.058 2.417 -12.641 53 H ALA 9 H ALA 9 -6.042 4.767 -13.336 54 HA ALA 9 HA ALA 9 -7.877 6.119 -13.341 55 HB1 ALA 9 1HB ALA 9 -5.991 8.007 -14.745 56 HB2 ALA 9 2HB ALA 9 -7.492 8.451 -13.932 57 HB3 ALA 9 3HB ALA 9 -6.141 7.807 -12.999 58 H ARG 10 H ARG 10 -8.017 4.256 -15.326 59 HA ARG 10 HA ARG 10 -9.168 5.759 -17.585 60 HB2 ARG 10 2HB ARG 10 -8.663 3.862 -19.021 61 HB3 ARG 10 3HB ARG 10 -7.197 4.429 -18.232 62 HG2 ARG 10 2HG ARG 10 -7.678 2.587 -16.498 63 HG3 ARG 10 3HG ARG 10 -8.762 1.932 -17.727 64 HD2 ARG 10 2HD ARG 10 -6.865 1.934 -19.326 65 HD3 ARG 10 3HD ARG 10 -5.808 2.459 -18.016 66 HE ARG 10 HE ARG 10 -7.199 0.098 -17.296 67 HH11 ARG 10 1HH1 ARG 10 -4.575 1.253 -19.271 68 HH12 ARG 10 2HH1 ARG 10 -3.709 -0.247 -19.226 69 HH21 ARG 10 1HH2 ARG 10 -6.068 -1.881 -17.229 70 HH22 ARG 10 2HH2 ARG 10 -4.559 -2.029 -18.065 71 H SER 11 H SER 11 -9.540 3.071 -15.358 72 HA SER 11 HA SER 11 -12.110 2.306 -16.435 73 HB2 SER 11 2HB SER 11 -12.110 0.832 -14.310 74 HB3 SER 11 3HB SER 11 -10.916 0.481 -15.559 75 HG SER 11 HG SER 11 -10.132 0.604 -13.318 76 H GLY 12 H GLY 12 -14.072 2.928 -15.739 77 HA2 GLY 12 2HA GLY 12 -15.655 3.702 -14.175 78 HA3 GLY 12 3HA GLY 12 -14.339 4.250 -13.147 79 H GLY 13 H GLY 13 -13.459 6.291 -13.448 80 HA2 GLY 13 2HA GLY 13 -14.236 7.949 -15.663 81 HA3 GLY 13 3HA GLY 13 -15.085 8.360 -14.181 82 H LYS 14 H LYS 14 -14.106 10.413 -14.138 83 HA LYS 14 HA LYS 14 -11.425 10.375 -12.983 84 HB2 LYS 14 2HB LYS 14 -12.219 12.001 -15.398 85 HB3 LYS 14 3HB LYS 14 -10.816 12.380 -14.408 86 HG2 LYS 14 2HG LYS 14 -9.830 10.229 -14.932 87 HG3 LYS 14 3HG LYS 14 -11.259 9.782 -15.866 88 HD2 LYS 14 2HD LYS 14 -9.883 10.510 -17.548 89 HD3 LYS 14 3HD LYS 14 -10.712 12.016 -17.148 90 HE2 LYS 14 2HE LYS 14 -8.866 12.807 -15.898 91 HE3 LYS 14 3HE LYS 14 -8.097 11.221 -15.892 92 HZ1 LYS 14 1HZ LYS 14 -8.192 13.233 -18.011 93 HZ2 LYS 14 2HZ LYS 14 -8.187 11.608 -18.477 94 HZ3 LYS 14 3HZ LYS 14 -6.921 12.221 -17.539 95 H VAL 15 H VAL 15 -11.152 11.836 -11.380 96 HA VAL 15 HA VAL 15 -13.061 14.037 -11.110 97 HB VAL 15 HB VAL 15 -12.470 12.172 -8.811 98 HG11 VAL 15 1HG1 VAL 15 -12.960 14.357 -8.018 99 HG12 VAL 15 2HG1 VAL 15 -14.304 14.536 -9.147 100 HG13 VAL 15 3HG1 VAL 15 -14.424 13.397 -7.805 101 HG21 VAL 15 1HG2 VAL 15 -14.814 11.425 -9.061 102 HG22 VAL 15 2HG2 VAL 15 -14.918 12.337 -10.567 103 HG23 VAL 15 3HG2 VAL 15 -13.802 10.978 -10.434 104 H THR 16 H THR 16 -12.310 15.788 -9.904 105 HA THR 16 HA THR 16 -9.500 15.642 -9.035 106 HB THR 16 HB THR 16 -10.250 18.291 -9.958 107 HG1 THR 16 HG1 THR 16 -11.457 17.305 -11.538 108 HG21 THR 16 1HG2 THR 16 -8.097 18.318 -10.785 109 HG22 THR 16 2HG2 THR 16 -8.115 16.600 -11.184 110 HG23 THR 16 3HG2 THR 16 -7.948 17.114 -9.505 111 H PHE 17 H PHE 17 -8.955 16.782 -7.209 112 HA PHE 17 HA PHE 17 -11.115 18.259 -5.864 113 HB2 PHE 17 2HB PHE 17 -9.178 16.446 -4.422 114 HB3 PHE 17 3HB PHE 17 -10.606 17.236 -3.762 115 HD1 PHE 17 HD1 PHE 17 -9.329 14.225 -4.956 116 HD2 PHE 17 HD2 PHE 17 -12.856 16.607 -5.026 117 HE1 PHE 17 HE1 PHE 17 -10.665 12.225 -5.475 118 HE2 PHE 17 HE2 PHE 17 -14.198 14.611 -5.544 119 HZ PHE 17 HZ PHE 17 -13.103 12.416 -5.768 120 H ARG 18 H ARG 18 -10.547 20.205 -5.124 121 HA ARG 18 HA ARG 18 -7.703 20.927 -5.208 122 HB2 ARG 18 2HB ARG 18 -9.047 22.324 -6.617 123 HB3 ARG 18 3HB ARG 18 -10.213 22.598 -5.329 124 HG2 ARG 18 2HG ARG 18 -7.451 23.410 -4.728 125 HG3 ARG 18 3HG ARG 18 -8.263 24.328 -5.997 126 HD2 ARG 18 2HD ARG 18 -10.117 23.996 -3.894 127 HD3 ARG 18 3HD ARG 18 -8.591 24.491 -3.163 128 HE ARG 18 HE ARG 18 -8.831 26.558 -4.128 129 HH11 ARG 18 1HH1 ARG 18 -11.086 24.334 -5.575 130 HH12 ARG 18 2HH1 ARG 18 -11.939 25.564 -6.448 131 HH21 ARG 18 1HH2 ARG 18 -9.947 28.186 -5.272 132 HH22 ARG 18 2HH2 ARG 18 -11.290 27.754 -6.275 133 H ILE 19 H ILE 19 -6.633 21.163 -3.368 134 HA ILE 19 HA ILE 19 -8.146 21.849 -0.934 135 HB ILE 19 HB ILE 19 -6.640 20.467 0.384 136 HG12 ILE 19 2HG1 ILE 19 -5.309 18.781 -1.287 137 HG13 ILE 19 3HG1 ILE 19 -5.211 20.286 -2.194 138 HG21 ILE 19 1HG2 ILE 19 -7.379 18.479 -1.638 139 HG22 ILE 19 2HG2 ILE 19 -7.862 18.615 0.052 140 HG23 ILE 19 3HG2 ILE 19 -8.680 19.577 -1.179 141 HD11 ILE 19 1HD1 ILE 19 -4.502 21.158 0.247 142 HD12 ILE 19 2HD1 ILE 19 -3.906 19.499 0.315 143 HD13 ILE 19 3HD1 ILE 19 -3.360 20.581 -0.966 144 H ILE 20 H ILE 20 -7.401 23.521 0.222 145 HA ILE 20 HA ILE 20 -5.015 24.892 -0.743 146 HB ILE 20 HB ILE 20 -6.946 25.844 1.370 147 HG12 ILE 20 2HG1 ILE 20 -8.194 25.418 -0.676 148 HG13 ILE 20 3HG1 ILE 20 -8.012 27.153 -0.443 149 HG21 ILE 20 1HG2 ILE 20 -5.642 27.830 -0.291 150 HG22 ILE 20 2HG2 ILE 20 -5.726 27.705 1.466 151 HG23 ILE 20 3HG2 ILE 20 -4.484 26.823 0.577 152 HD11 ILE 20 1HD1 ILE 20 -5.914 26.798 -1.987 153 HD12 ILE 20 2HD1 ILE 20 -6.826 25.378 -2.501 154 HD13 ILE 20 3HD1 ILE 20 -7.534 26.985 -2.659 155 H LEU 21 H LEU 21 -3.117 24.648 0.217 156 HA LEU 21 HA LEU 21 -3.020 23.531 2.923 157 HB2 LEU 21 2HB LEU 21 -0.547 23.290 2.347 158 HB3 LEU 21 3HB LEU 21 -1.694 22.254 1.499 159 HG LEU 21 HG LEU 21 -0.905 24.793 0.178 160 HD11 LEU 21 1HD1 LEU 21 1.187 23.726 1.159 161 HD12 LEU 21 2HD1 LEU 21 1.175 24.019 -0.579 162 HD13 LEU 21 3HD1 LEU 21 0.893 22.393 0.042 163 HD21 LEU 21 1HD2 LEU 21 -1.950 22.137 -0.519 164 HD22 LEU 21 2HD2 LEU 21 -0.767 22.798 -1.648 165 HD23 LEU 21 3HD2 LEU 21 -2.233 23.705 -1.274 166 H THR 22 H THR 22 -2.033 24.550 4.615 167 HA THR 22 HA THR 22 -1.512 27.403 4.255 168 HB THR 22 HB THR 22 -3.069 26.704 6.049 169 HG1 THR 22 HG1 THR 22 -1.981 28.644 6.366 170 HG21 THR 22 1HG2 THR 22 -1.973 24.583 6.642 171 HG22 THR 22 2HG2 THR 22 -2.207 25.614 8.054 172 HG23 THR 22 3HG2 THR 22 -0.613 25.482 7.313 173 H SER 23 H SER 23 0.216 24.563 4.329 174 HA SER 23 HA SER 23 2.506 25.495 5.807 175 HB2 SER 23 2HB SER 23 1.658 23.028 5.330 176 HB3 SER 23 3HB SER 23 2.688 23.195 3.909 177 HG SER 23 HG SER 23 3.375 22.837 6.516 178 H GLU 24 H GLU 24 1.322 25.880 2.646 179 HA GLU 24 HA GLU 24 3.923 26.962 1.794 180 HB2 GLU 24 2HB GLU 24 3.092 24.710 0.720 181 HB3 GLU 24 3HB GLU 24 2.052 25.774 -0.215 182 HG2 GLU 24 2HG GLU 24 4.026 26.997 -1.000 183 HG3 GLU 24 3HG GLU 24 5.057 25.894 -0.089 184 H ARG 25 H ARG 25 2.730 28.870 2.785 185 HA ARG 25 HA ARG 25 0.498 30.011 1.494 186 HB2 ARG 25 2HB ARG 25 2.489 30.862 3.492 187 HB3 ARG 25 3HB ARG 25 1.788 32.169 2.547 188 HG2 ARG 25 2HG ARG 25 -0.397 31.658 3.280 189 HG3 ARG 25 3HG ARG 25 0.116 30.112 3.958 190 HD2 ARG 25 2HD ARG 25 1.332 32.650 4.959 191 HD3 ARG 25 3HD ARG 25 -0.270 32.169 5.518 192 HE ARG 25 HE ARG 25 1.693 30.085 5.735 193 HH11 ARG 25 1HH1 ARG 25 0.313 32.882 7.281 194 HH12 ARG 25 2HH1 ARG 25 0.765 32.384 8.878 195 HH21 ARG 25 1HH2 ARG 25 2.293 29.418 7.832 196 HH22 ARG 25 2HH2 ARG 25 1.891 30.413 9.190 197 H SER 26 H SER 26 3.745 29.738 0.542 198 HA SER 26 HA SER 26 4.170 32.084 -0.908 199 HB2 SER 26 2HB SER 26 6.041 30.674 -0.606 200 HB3 SER 26 3HB SER 26 5.194 29.270 -1.254 201 HG SER 26 HG SER 26 6.695 31.051 -2.554 202 H GLN 27 H GLN 27 2.371 29.186 -1.711 203 HA GLN 27 HA GLN 27 0.811 30.465 -3.665 204 HB2 GLN 27 2HB GLN 27 3.178 30.092 -4.770 205 HB3 GLN 27 3HB GLN 27 2.579 28.453 -4.989 206 HG2 GLN 27 2HG GLN 27 1.548 29.116 -6.824 207 HG3 GLN 27 3HG GLN 27 0.519 30.154 -5.838 208 HE21 GLN 27 1HE2 GLN 27 3.944 30.284 -6.753 209 HE22 GLN 27 2HE2 GLN 27 3.883 31.876 -7.421 210 HA PRO 28 HA PRO 28 -0.620 26.387 -1.894 211 HB2 PRO 28 2HB PRO 28 -2.881 27.379 -0.766 212 HB3 PRO 28 3HB PRO 28 -1.324 27.350 0.070 213 HG2 PRO 28 2HG PRO 28 -2.662 29.611 -1.366 214 HG3 PRO 28 3HG PRO 28 -1.805 29.622 0.186 215 HD2 PRO 28 2HD PRO 28 -0.663 30.479 -2.115 216 HD3 PRO 28 3HD PRO 28 0.269 29.707 -0.816 217 H PHE 29 H PHE 29 -1.356 25.294 -3.619 218 HA PHE 29 HA PHE 29 -4.008 25.525 -4.494 219 HB2 PHE 29 2HB PHE 29 -2.648 27.538 -5.614 220 HB3 PHE 29 3HB PHE 29 -2.256 26.277 -6.778 221 HD1 PHE 29 HD1 PHE 29 -3.738 25.766 -8.484 222 HD2 PHE 29 HD2 PHE 29 -5.132 27.901 -5.076 223 HE1 PHE 29 HE1 PHE 29 -5.904 26.118 -9.595 224 HE2 PHE 29 HE2 PHE 29 -7.302 28.255 -6.181 225 HZ PHE 29 HZ PHE 29 -7.690 27.363 -8.443 226 H ARG 30 H ARG 30 -2.696 23.383 -3.638 227 HA ARG 30 HA ARG 30 -1.727 21.871 -5.939 228 HB2 ARG 30 2HB ARG 30 -1.612 21.530 -2.980 229 HB3 ARG 30 3HB ARG 30 -1.538 20.085 -3.980 230 HG2 ARG 30 2HG ARG 30 0.313 22.450 -4.209 231 HG3 ARG 30 3HG ARG 30 0.683 20.936 -3.381 232 HD2 ARG 30 2HD ARG 30 0.185 19.783 -5.589 233 HD3 ARG 30 3HD ARG 30 0.216 21.389 -6.316 234 HE ARG 30 HE ARG 30 2.461 19.828 -5.541 235 HH11 ARG 30 1HH1 ARG 30 1.295 23.100 -5.763 236 HH12 ARG 30 2HH1 ARG 30 2.876 23.791 -5.930 237 HH21 ARG 30 1HH2 ARG 30 4.547 20.724 -5.760 238 HH22 ARG 30 2HH2 ARG 30 4.725 22.438 -5.929 239 H VAL 31 H VAL 31 -3.137 20.797 -7.141 240 HA VAL 31 HA VAL 31 -5.610 19.809 -5.886 241 HB VAL 31 HB VAL 31 -6.593 19.770 -8.122 242 HG11 VAL 31 1HG1 VAL 31 -6.605 22.223 -8.545 243 HG12 VAL 31 2HG1 VAL 31 -6.889 21.788 -6.858 244 HG13 VAL 31 3HG1 VAL 31 -5.309 22.389 -7.361 245 HG21 VAL 31 1HG2 VAL 31 -3.806 20.306 -8.913 246 HG22 VAL 31 2HG2 VAL 31 -5.080 19.433 -9.764 247 HG23 VAL 31 3HG2 VAL 31 -5.040 21.196 -9.805 248 H ILE 32 H ILE 32 -6.133 17.686 -5.965 249 HA ILE 32 HA ILE 32 -4.149 15.883 -7.179 250 HB ILE 32 HB ILE 32 -5.149 14.155 -5.625 251 HG12 ILE 32 2HG1 ILE 32 -6.363 16.625 -4.365 252 HG13 ILE 32 3HG1 ILE 32 -7.255 15.328 -5.153 253 HG21 ILE 32 1HG2 ILE 32 -3.412 14.573 -4.295 254 HG22 ILE 32 2HG2 ILE 32 -3.170 16.049 -5.229 255 HG23 ILE 32 3HG2 ILE 32 -4.111 16.093 -3.738 256 HD11 ILE 32 1HD1 ILE 32 -6.531 15.542 -2.452 257 HD12 ILE 32 2HD1 ILE 32 -7.331 14.194 -3.261 258 HD13 ILE 32 3HD1 ILE 32 -5.573 14.225 -3.128 259 H SER 33 H SER 33 -4.731 14.687 -8.863 260 HA SER 33 HA SER 33 -7.575 14.551 -9.567 261 HB2 SER 33 2HB SER 33 -6.502 13.660 -11.791 262 HB3 SER 33 3HB SER 33 -6.464 15.386 -11.428 263 HG SER 33 HG SER 33 -4.411 13.653 -11.733 264 H ILE 34 H ILE 34 -8.650 12.745 -9.172 265 HA ILE 34 HA ILE 34 -7.282 10.169 -9.423 266 HB ILE 34 HB ILE 34 -9.077 10.733 -7.071 267 HG12 ILE 34 2HG1 ILE 34 -6.684 10.501 -5.902 268 HG13 ILE 34 3HG1 ILE 34 -6.158 11.201 -7.429 269 HG21 ILE 34 1HG2 ILE 34 -7.364 8.670 -6.452 270 HG22 ILE 34 2HG2 ILE 34 -9.035 8.504 -6.990 271 HG23 ILE 34 3HG2 ILE 34 -7.719 8.402 -8.159 272 HD11 ILE 34 1HD1 ILE 34 -7.395 12.460 -5.162 273 HD12 ILE 34 2HD1 ILE 34 -6.616 13.185 -6.570 274 HD13 ILE 34 3HD1 ILE 34 -8.325 12.753 -6.632 275 H ALA 35 H ALA 35 -8.647 8.414 -9.896 276 HA ALA 35 HA ALA 35 -10.981 9.100 -11.389 277 HB1 ALA 35 1HB ALA 35 -10.751 6.276 -10.825 278 HB2 ALA 35 2HB ALA 35 -10.631 7.132 -12.363 279 HB3 ALA 35 3HB ALA 35 -9.207 6.961 -11.336 280 H GLU 36 H GLU 36 -13.131 8.371 -11.029 281 HA GLU 36 HA GLU 36 -14.093 8.773 -8.434 282 HB2 GLU 36 2HB GLU 36 -16.257 7.975 -9.307 283 HB3 GLU 36 3HB GLU 36 -15.494 9.137 -10.383 284 HG2 GLU 36 2HG GLU 36 -15.730 7.701 -12.042 285 HG3 GLU 36 3HG GLU 36 -14.616 6.609 -11.221 286 H GLU 37 H GLU 37 -12.928 5.927 -10.009 287 HA GLU 37 HA GLU 37 -13.800 4.301 -7.710 288 HB2 GLU 37 2HB GLU 37 -14.020 3.836 -10.530 289 HB3 GLU 37 3HB GLU 37 -12.973 2.612 -9.828 290 HG2 GLU 37 2HG GLU 37 -14.735 2.123 -8.161 291 HG3 GLU 37 3HG GLU 37 -15.787 3.268 -8.991 292 H ALA 38 H ALA 38 -11.253 5.954 -8.635 293 HA ALA 38 HA ALA 38 -9.193 3.932 -8.413 294 HB1 ALA 38 1HB ALA 38 -8.658 5.675 -9.896 295 HB2 ALA 38 2HB ALA 38 -9.132 6.918 -8.738 296 HB3 ALA 38 3HB ALA 38 -7.672 5.968 -8.463 297 HA PRO 39 HA PRO 39 -8.619 4.096 -4.059 298 HB2 PRO 39 2HB PRO 39 -5.964 3.555 -3.896 299 HB3 PRO 39 3HB PRO 39 -7.169 2.333 -4.319 300 HG2 PRO 39 2HG PRO 39 -5.363 3.912 -6.109 301 HG3 PRO 39 3HG PRO 39 -5.776 2.189 -6.176 302 HD2 PRO 39 2HD PRO 39 -6.932 4.027 -7.793 303 HD3 PRO 39 3HD PRO 39 -7.792 2.583 -7.221 304 H LEU 40 H LEU 40 -7.254 5.137 -2.351 305 HA LEU 40 HA LEU 40 -7.081 7.923 -2.801 306 HB2 LEU 40 2HB LEU 40 -7.587 7.316 -0.617 307 HB3 LEU 40 3HB LEU 40 -6.308 6.105 -0.556 308 HG LEU 40 HG LEU 40 -4.656 8.004 -0.554 309 HD11 LEU 40 1HD1 LEU 40 -7.166 9.508 -0.719 310 HD12 LEU 40 2HD1 LEU 40 -5.528 9.971 -1.180 311 HD13 LEU 40 3HD1 LEU 40 -6.037 10.088 0.505 312 HD21 LEU 40 1HD2 LEU 40 -6.577 7.389 1.634 313 HD22 LEU 40 2HD2 LEU 40 -5.415 8.695 1.872 314 HD23 LEU 40 3HD2 LEU 40 -4.848 7.061 1.522 315 H THR 41 H THR 41 -4.721 5.336 -2.824 316 HA THR 41 HA THR 41 -2.341 6.695 -2.616 317 HB THR 41 HB THR 41 -1.550 4.940 -4.422 318 HG1 THR 41 HG1 THR 41 -3.059 3.604 -5.062 319 HG21 THR 41 1HG2 THR 41 -2.633 4.003 -1.765 320 HG22 THR 41 2HG2 THR 41 -1.126 4.899 -1.959 321 HG23 THR 41 3HG2 THR 41 -1.302 3.301 -2.684 322 H ALA 42 H ALA 42 -4.584 6.640 -5.288 323 HA ALA 42 HA ALA 42 -2.930 7.587 -7.335 324 HB1 ALA 42 1HB ALA 42 -5.712 7.129 -6.948 325 HB2 ALA 42 2HB ALA 42 -5.500 8.719 -7.681 326 HB3 ALA 42 3HB ALA 42 -4.817 7.291 -8.460 327 H ALA 43 H ALA 43 -4.722 9.309 -4.827 328 HA ALA 43 HA ALA 43 -4.073 11.911 -5.849 329 HB1 ALA 43 1HB ALA 43 -5.949 10.952 -4.098 330 HB2 ALA 43 2HB ALA 43 -4.816 11.782 -3.031 331 HB3 ALA 43 3HB ALA 43 -5.571 12.654 -4.365 332 H LEU 44 H LEU 44 -2.630 9.659 -3.624 333 HA LEU 44 HA LEU 44 -1.027 11.266 -2.068 334 HB2 LEU 44 2HB LEU 44 -1.303 8.703 -2.114 335 HB3 LEU 44 3HB LEU 44 0.022 8.730 -3.276 336 HG LEU 44 HG LEU 44 1.164 10.145 -1.322 337 HD11 LEU 44 1HD1 LEU 44 -0.934 8.462 0.010 338 HD12 LEU 44 2HD1 LEU 44 -0.555 10.164 0.269 339 HD13 LEU 44 3HD1 LEU 44 0.561 8.919 0.828 340 HD21 LEU 44 1HD2 LEU 44 0.976 7.173 -1.691 341 HD22 LEU 44 2HD2 LEU 44 2.037 7.893 -0.480 342 HD23 LEU 44 3HD2 LEU 44 2.263 8.270 -2.189 343 H ARG 45 H ARG 45 -0.708 10.485 -5.446 344 HA ARG 45 HA ARG 45 1.946 11.040 -5.944 345 HB2 ARG 45 2HB ARG 45 -0.357 10.651 -7.478 346 HB3 ARG 45 3HB ARG 45 0.252 12.224 -7.977 347 HG2 ARG 45 2HG ARG 45 2.465 10.474 -7.835 348 HG3 ARG 45 3HG ARG 45 1.176 9.636 -8.702 349 HD2 ARG 45 2HD ARG 45 1.716 12.470 -9.408 350 HD3 ARG 45 3HD ARG 45 2.885 11.257 -9.926 351 HE ARG 45 HE ARG 45 0.371 10.320 -10.635 352 HH11 ARG 45 1HH1 ARG 45 2.444 13.011 -11.399 353 HH12 ARG 45 2HH1 ARG 45 1.830 13.195 -13.008 354 HH21 ARG 45 1HH2 ARG 45 -0.445 10.552 -12.752 355 HH22 ARG 45 2HH2 ARG 45 0.186 11.797 -13.777 356 H PHE 46 H PHE 46 -0.744 13.380 -6.124 357 HA PHE 46 HA PHE 46 1.137 15.588 -6.154 358 HB2 PHE 46 2HB PHE 46 -1.810 15.294 -6.543 359 HB3 PHE 46 3HB PHE 46 -1.179 16.869 -6.075 360 HD1 PHE 46 HD1 PHE 46 -0.842 18.325 -7.803 361 HD2 PHE 46 HD2 PHE 46 -0.258 14.164 -8.482 362 HE1 PHE 46 HE1 PHE 46 -0.270 18.792 -10.150 363 HE2 PHE 46 HE2 PHE 46 0.316 14.624 -10.829 364 HZ PHE 46 HZ PHE 46 0.312 16.941 -11.666 365 H ALA 47 H ALA 47 -1.131 14.073 -3.956 366 HA ALA 47 HA ALA 47 -1.307 16.046 -1.994 367 HB1 ALA 47 1HB ALA 47 -1.464 13.816 -0.500 368 HB2 ALA 47 2HB ALA 47 -2.787 14.416 -1.502 369 HB3 ALA 47 3HB ALA 47 -1.738 13.131 -2.103 370 H ALA 48 H ALA 48 1.219 13.720 -2.672 371 HA ALA 48 HA ALA 48 2.628 13.962 -0.231 372 HB1 ALA 48 1HB ALA 48 3.114 12.080 -1.567 373 HB2 ALA 48 2HB ALA 48 3.464 13.077 -2.980 374 HB3 ALA 48 3HB ALA 48 4.566 13.081 -1.604 375 H GLU 49 H GLU 49 2.481 15.927 -3.090 376 HA GLU 49 HA GLU 49 4.892 17.396 -2.491 377 HB2 GLU 49 2HB GLU 49 2.750 18.261 -4.418 378 HB3 GLU 49 3HB GLU 49 4.469 18.627 -4.458 379 HG2 GLU 49 2HG GLU 49 4.811 16.120 -4.802 380 HG3 GLU 49 3HG GLU 49 3.085 16.065 -5.158 381 H GLU 50 H GLU 50 1.401 17.949 -2.273 382 HA GLU 50 HA GLU 50 1.528 20.615 -1.382 383 HB2 GLU 50 2HB GLU 50 -0.744 20.481 -1.114 384 HB3 GLU 50 3HB GLU 50 -0.490 19.108 -2.181 385 HG2 GLU 50 2HG GLU 50 -0.244 17.803 0.082 386 HG3 GLU 50 3HG GLU 50 -1.172 19.163 0.711 387 H PHE 51 H PHE 51 2.065 17.609 0.227 388 HA PHE 51 HA PHE 51 2.036 18.945 2.845 389 HB2 PHE 51 2HB PHE 51 1.018 16.471 2.040 390 HB3 PHE 51 3HB PHE 51 2.479 16.080 2.942 391 HD1 PHE 51 HD1 PHE 51 2.733 17.332 5.234 392 HD2 PHE 51 HD2 PHE 51 -0.953 16.754 3.186 393 HE1 PHE 51 HE1 PHE 51 1.513 17.647 7.348 394 HE2 PHE 51 HE2 PHE 51 -2.179 17.069 5.295 395 HZ PHE 51 HZ PHE 51 -0.946 17.517 7.380 396 H GLY 52 H GLY 52 4.080 17.552 0.460 397 HA2 GLY 52 2HA GLY 52 6.369 17.421 0.309 398 HA3 GLY 52 3HA GLY 52 6.440 18.478 1.711 399 H ILE 53 H ILE 53 4.624 15.672 2.257 400 HA ILE 53 HA ILE 53 6.886 14.075 3.139 401 HB ILE 53 HB ILE 53 6.104 13.838 5.425 402 HG12 ILE 53 2HG1 ILE 53 4.030 15.914 4.685 403 HG13 ILE 53 3HG1 ILE 53 3.711 14.217 5.029 404 HG21 ILE 53 1HG2 ILE 53 6.433 16.737 4.661 405 HG22 ILE 53 2HG2 ILE 53 6.684 16.054 6.267 406 HG23 ILE 53 3HG2 ILE 53 7.740 15.585 4.935 407 HD11 ILE 53 1HD1 ILE 53 4.177 16.459 6.852 408 HD12 ILE 53 2HD1 ILE 53 3.256 14.972 7.083 409 HD13 ILE 53 3HD1 ILE 53 5.008 14.965 7.282 410 H ALA 54 H ALA 54 5.741 12.138 4.550 411 HA ALA 54 HA ALA 54 3.267 11.282 3.294 412 HB1 ALA 54 1HB ALA 54 4.170 9.205 2.428 413 HB2 ALA 54 2HB ALA 54 4.997 10.580 1.695 414 HB3 ALA 54 3HB ALA 54 5.786 9.655 2.972 415 H SER 55 H SER 55 2.496 11.392 5.449 416 HA SER 55 HA SER 55 2.519 8.977 6.855 417 HB2 SER 55 2HB SER 55 4.680 9.310 7.678 418 HB3 SER 55 3HB SER 55 4.460 11.054 7.828 419 HG SER 55 HG SER 55 3.729 10.762 9.771 420 H VAL 56 H VAL 56 2.689 12.273 8.178 421 HA VAL 56 HA VAL 56 0.267 11.975 9.632 422 HB VAL 56 HB VAL 56 1.727 14.530 8.947 423 HG11 VAL 56 1HG1 VAL 56 0.558 14.854 11.402 424 HG12 VAL 56 2HG1 VAL 56 -0.086 15.459 9.875 425 HG13 VAL 56 3HG1 VAL 56 -0.653 13.920 10.525 426 HG21 VAL 56 1HG2 VAL 56 2.583 12.353 10.511 427 HG22 VAL 56 2HG2 VAL 56 3.320 13.950 10.384 428 HG23 VAL 56 3HG2 VAL 56 2.120 13.629 11.636 429 H ASP 57 H ASP 57 0.989 12.948 6.415 430 HA ASP 57 HA ASP 57 -1.227 14.604 5.887 431 HB2 ASP 57 2HB ASP 57 -0.719 14.301 3.570 432 HB3 ASP 57 3HB ASP 57 0.816 14.327 4.434 433 H SER 58 H SER 58 -1.017 11.267 6.479 434 HA SER 58 HA SER 58 -3.083 10.250 4.885 435 HB2 SER 58 2HB SER 58 -1.475 8.859 6.182 436 HB3 SER 58 3HB SER 58 -2.304 9.334 7.664 437 HG SER 58 HG SER 58 -3.059 7.540 5.705 438 H MET 59 H MET 59 -3.145 12.130 7.807 439 HA MET 59 HA MET 59 -6.002 12.482 7.546 440 HB2 MET 59 2HB MET 59 -5.684 10.424 8.977 441 HB3 MET 59 3HB MET 59 -4.912 11.461 10.169 442 HG2 MET 59 2HG MET 59 -7.309 12.733 9.581 443 HG3 MET 59 3HG MET 59 -7.711 11.019 9.642 444 HE1 MET 59 1HE MET 59 -8.246 10.303 13.081 445 HE2 MET 59 2HE MET 59 -8.346 9.918 11.363 446 HE3 MET 59 3HE MET 59 -6.892 9.510 12.275 447 H ALA 60 H ALA 60 -5.036 14.591 7.036 448 HA ALA 60 HA ALA 60 -4.890 16.228 9.438 449 HB1 ALA 60 1HB ALA 60 -2.805 17.130 9.109 450 HB2 ALA 60 2HB ALA 60 -2.533 15.466 8.587 451 HB3 ALA 60 3HB ALA 60 -2.786 16.736 7.389 452 H ALA 61 H ALA 61 -7.043 16.631 8.387 453 HA ALA 61 HA ALA 61 -6.939 19.111 6.971 454 HB1 ALA 61 1HB ALA 61 -8.469 18.093 5.097 455 HB2 ALA 61 2HB ALA 61 -6.711 18.033 4.960 456 HB3 ALA 61 3HB ALA 61 -7.603 16.609 5.496 457 H THR 62 H THR 62 -8.998 20.139 6.818 458 HA THR 62 HA THR 62 -11.159 18.813 8.310 459 HB THR 62 HB THR 62 -11.692 20.934 9.434 460 HG1 THR 62 HG1 THR 62 -9.409 21.818 8.002 461 HG21 THR 62 1HG2 THR 62 -10.307 20.474 11.149 462 HG22 THR 62 2HG2 THR 62 -8.860 20.698 10.166 463 HG23 THR 62 3HG2 THR 62 -9.732 19.166 10.116 464 H THR 63 H THR 63 -13.239 19.279 7.661 465 HA THR 63 HA THR 63 -13.484 20.417 5.003 466 HB THR 63 HB THR 63 -15.869 19.472 6.527 467 HG1 THR 63 HG1 THR 63 -13.675 17.886 5.733 468 HG21 THR 63 1HG2 THR 63 -16.349 20.165 4.334 469 HG22 THR 63 2HG2 THR 63 -16.263 18.406 4.230 470 HG23 THR 63 3HG2 THR 63 -14.907 19.390 3.681 471 H LYS 64 H LYS 64 -15.297 21.903 4.513 472 HA LYS 64 HA LYS 64 -15.135 24.244 6.074 473 HB2 LYS 64 2HB LYS 64 -17.307 23.626 4.075 474 HB3 LYS 64 3HB LYS 64 -16.685 25.205 4.536 475 HG2 LYS 64 2HG LYS 64 -14.450 23.889 3.606 476 HG3 LYS 64 3HG LYS 64 -15.734 23.342 2.526 477 HD2 LYS 64 2HD LYS 64 -16.032 25.399 1.621 478 HD3 LYS 64 3HD LYS 64 -15.677 26.233 3.136 479 HE2 LYS 64 2HE LYS 64 -13.485 26.419 2.663 480 HE3 LYS 64 3HE LYS 64 -13.400 24.810 1.949 481 HZ1 LYS 64 1HZ LYS 64 -13.598 25.655 -0.080 482 HZ2 LYS 64 2HZ LYS 64 -13.361 27.186 0.598 483 HZ3 LYS 64 3HZ LYS 64 -14.930 26.606 0.346 484 H ASP 65 H ASP 65 -17.262 21.515 6.168 485 HA ASP 65 HA ASP 65 -19.352 22.803 7.652 486 HB2 ASP 65 2HB ASP 65 -19.159 20.450 6.243 487 HB3 ASP 65 3HB ASP 65 -19.152 19.888 7.913 488 H GLY 66 H GLY 66 -16.328 21.341 8.417 489 HA2 GLY 66 2HA GLY 66 -15.980 22.257 10.919 490 HA3 GLY 66 3HA GLY 66 -16.999 20.851 11.195 491 H THR 67 H THR 67 -16.053 18.918 11.385 492 HA THR 67 HA THR 67 -13.175 18.772 11.236 493 HB THR 67 HB THR 67 -13.573 16.369 11.980 494 HG1 THR 67 HG1 THR 67 -16.209 17.271 12.516 495 HG21 THR 67 1HG2 THR 67 -14.757 18.529 13.728 496 HG22 THR 67 2HG2 THR 67 -13.030 18.238 13.521 497 HG23 THR 67 3HG2 THR 67 -14.049 17.006 14.264 498 H GLY 68 H GLY 68 -11.955 17.443 9.898 499 HA2 GLY 68 2HA GLY 68 -13.405 16.371 7.555 500 HA3 GLY 68 3HA GLY 68 -11.834 17.150 7.441 501 H ILE 69 H ILE 69 -13.511 14.344 8.798 502 HA ILE 69 HA ILE 69 -11.048 12.944 9.323 503 HB ILE 69 HB ILE 69 -13.909 11.980 9.383 504 HG12 ILE 69 2HG1 ILE 69 -12.164 12.367 11.786 505 HG13 ILE 69 3HG1 ILE 69 -12.943 13.767 11.056 506 HG21 ILE 69 1HG2 ILE 69 -12.594 10.234 10.936 507 HG22 ILE 69 2HG2 ILE 69 -12.890 9.969 9.219 508 HG23 ILE 69 3HG2 ILE 69 -11.331 10.592 9.758 509 HD11 ILE 69 1HD1 ILE 69 -14.497 13.191 12.616 510 HD12 ILE 69 2HD1 ILE 69 -15.082 12.253 11.241 511 HD13 ILE 69 3HD1 ILE 69 -14.135 11.468 12.505 512 H ASN 70 H ASN 70 -9.963 11.664 7.976 513 HA ASN 70 HA ASN 70 -11.239 10.945 5.422 514 HB2 ASN 70 2HB ASN 70 -8.283 10.780 5.771 515 HB3 ASN 70 3HB ASN 70 -9.223 11.216 4.347 516 HD21 ASN 70 1HD2 ASN 70 -7.998 12.346 7.422 517 HD22 ASN 70 2HD2 ASN 70 -8.104 14.032 7.062 518 HA PRO 71 HA PRO 71 -10.832 6.936 7.651 519 HB2 PRO 71 2HB PRO 71 -13.119 5.893 6.626 520 HB3 PRO 71 3HB PRO 71 -13.092 6.922 8.063 521 HG2 PRO 71 2HG PRO 71 -13.745 7.640 5.231 522 HG3 PRO 71 3HG PRO 71 -14.562 8.131 6.726 523 HD2 PRO 71 2HD PRO 71 -12.820 9.742 5.422 524 HD3 PRO 71 3HD PRO 71 -13.007 9.769 7.187 525 H ALA 72 H ALA 72 -12.062 7.342 4.324 526 HA ALA 72 HA ALA 72 -10.262 5.159 3.492 527 HB1 ALA 72 1HB ALA 72 -11.810 4.517 1.823 528 HB2 ALA 72 2HB ALA 72 -12.742 4.732 3.306 529 HB3 ALA 72 3HB ALA 72 -12.775 5.975 2.055 530 H GLN 73 H GLN 73 -11.354 8.409 2.905 531 HA GLN 73 HA GLN 73 -10.586 10.082 1.570 532 HB2 GLN 73 2HB GLN 73 -8.082 8.545 1.007 533 HB3 GLN 73 3HB GLN 73 -8.291 10.266 1.301 534 HG2 GLN 73 2HG GLN 73 -9.035 9.358 3.688 535 HG3 GLN 73 3HG GLN 73 -7.968 8.037 3.214 536 HE21 GLN 73 1HE2 GLN 73 -7.880 11.556 2.759 537 HE22 GLN 73 2HE2 GLN 73 -6.303 11.775 3.431 538 H THR 74 H THR 74 -11.844 7.542 0.439 539 HA THR 74 HA THR 74 -10.768 7.322 -2.219 540 HB THR 74 HB THR 74 -13.499 6.339 -1.454 541 HG1 THR 74 HG1 THR 74 -12.550 4.556 -0.472 542 HG21 THR 74 1HG2 THR 74 -11.541 5.863 -3.566 543 HG22 THR 74 2HG2 THR 74 -13.274 5.539 -3.537 544 HG23 THR 74 3HG2 THR 74 -12.148 4.378 -2.834 545 H ALA 75 H ALA 75 -12.120 7.682 -4.157 546 HA ALA 75 HA ALA 75 -12.992 10.342 -4.326 547 HB1 ALA 75 1HB ALA 75 -12.738 9.891 -6.481 548 HB2 ALA 75 2HB ALA 75 -12.575 8.174 -6.111 549 HB3 ALA 75 3HB ALA 75 -14.167 8.859 -6.437 550 H GLY 76 H GLY 76 -14.805 7.310 -4.030 551 HA2 GLY 76 2HA GLY 76 -17.378 8.466 -4.290 552 HA3 GLY 76 3HA GLY 76 -17.020 6.900 -3.578 553 H ASN 77 H ASN 77 -15.324 7.825 -1.488 554 HA ASN 77 HA ASN 77 -17.315 8.530 0.431 555 HB2 ASN 77 2HB ASN 77 -14.307 8.318 0.681 556 HB3 ASN 77 3HB ASN 77 -15.411 8.536 2.036 557 HD21 ASN 77 1HD2 ASN 77 -16.593 6.828 2.775 558 HD22 ASN 77 2HD2 ASN 77 -16.367 5.207 2.222 559 H VAL 78 H VAL 78 -14.291 10.173 -0.520 560 HA VAL 78 HA VAL 78 -14.703 12.555 0.824 561 HB VAL 78 HB VAL 78 -13.127 13.585 -0.685 562 HG11 VAL 78 1HG1 VAL 78 -11.545 12.424 0.350 563 HG12 VAL 78 2HG1 VAL 78 -12.686 11.109 0.640 564 HG13 VAL 78 3HG1 VAL 78 -11.718 11.129 -0.835 565 HG21 VAL 78 1HG2 VAL 78 -14.105 11.509 -2.531 566 HG22 VAL 78 2HG2 VAL 78 -13.535 13.146 -2.860 567 HG23 VAL 78 3HG2 VAL 78 -12.374 11.843 -2.605 568 H PHE 79 H PHE 79 -16.134 11.413 -2.134 569 HA PHE 79 HA PHE 79 -16.973 13.749 -3.337 570 HB2 PHE 79 2HB PHE 79 -17.333 11.660 -4.447 571 HB3 PHE 79 3HB PHE 79 -18.345 11.067 -3.134 572 HD1 PHE 79 HD1 PHE 79 -18.175 13.612 -5.822 573 HD2 PHE 79 HD2 PHE 79 -20.654 11.402 -3.160 574 HE1 PHE 79 HE1 PHE 79 -20.171 14.450 -6.991 575 HE2 PHE 79 HE2 PHE 79 -22.654 12.235 -4.325 576 HZ PHE 79 HZ PHE 79 -22.414 13.760 -6.244 577 H MET 80 H MET 80 -18.654 11.887 -0.814 578 HA MET 80 HA MET 80 -20.557 14.079 -0.472 579 HB2 MET 80 2HB MET 80 -21.870 12.557 0.835 580 HB3 MET 80 3HB MET 80 -21.358 11.714 -0.621 581 HG2 MET 80 2HG MET 80 -19.553 10.644 0.672 582 HG3 MET 80 3HG MET 80 -20.158 11.438 2.124 583 HE1 MET 80 1HE MET 80 -23.157 9.561 3.211 584 HE2 MET 80 2HE MET 80 -22.041 10.913 3.401 585 HE3 MET 80 3HE MET 80 -23.369 11.021 2.244 586 H LYS 81 H LYS 81 -17.718 12.794 0.927 587 HA LYS 81 HA LYS 81 -18.122 13.629 3.613 588 HB2 LYS 81 2HB LYS 81 -16.329 12.018 2.495 589 HB3 LYS 81 3HB LYS 81 -15.378 13.497 2.452 590 HG2 LYS 81 2HG LYS 81 -14.742 12.967 4.514 591 HG3 LYS 81 3HG LYS 81 -16.356 13.473 5.019 592 HD2 LYS 81 2HD LYS 81 -15.922 10.682 4.045 593 HD3 LYS 81 3HD LYS 81 -15.443 11.116 5.688 594 HE2 LYS 81 2HE LYS 81 -18.114 12.046 4.932 595 HE3 LYS 81 3HE LYS 81 -17.938 10.292 4.931 596 HZ1 LYS 81 1HZ LYS 81 -18.118 10.329 7.122 597 HZ2 LYS 81 2HZ LYS 81 -18.221 12.018 7.128 598 HZ3 LYS 81 3HZ LYS 81 -16.711 11.262 7.237 599 H TYR 82 H TYR 82 -16.131 15.030 1.003 600 HA TYR 82 HA TYR 82 -16.400 17.641 2.344 601 HB2 TYR 82 2HB TYR 82 -14.141 16.975 0.478 602 HB3 TYR 82 3HB TYR 82 -14.219 18.224 1.715 603 HD1 TYR 82 HD1 TYR 82 -15.023 16.818 4.104 604 HD2 TYR 82 HD2 TYR 82 -12.400 15.547 1.004 605 HE1 TYR 82 HE1 TYR 82 -13.885 15.322 5.689 606 HE2 TYR 82 HE2 TYR 82 -11.255 14.046 2.581 607 HH TYR 82 HH TYR 82 -12.343 12.928 5.177 608 H GLY 83 H GLY 83 -16.657 15.845 -0.618 609 HA2 GLY 83 2HA GLY 83 -17.430 16.405 -2.708 610 HA3 GLY 83 3HA GLY 83 -18.444 17.555 -1.849 611 H GLN 84 H GLN 84 -15.036 17.220 -2.848 612 HA GLN 84 HA GLN 84 -13.538 18.751 -3.630 613 HB2 GLN 84 2HB GLN 84 -15.373 18.544 -5.469 614 HB3 GLN 84 3HB GLN 84 -15.821 20.168 -4.963 615 HG2 GLN 84 2HG GLN 84 -13.147 20.447 -5.270 616 HG3 GLN 84 3HG GLN 84 -13.507 19.238 -6.502 617 HE21 GLN 84 1HE2 GLN 84 -15.627 19.825 -7.734 618 HE22 GLN 84 2HE2 GLN 84 -15.690 21.448 -8.323 619 H GLU 85 H GLU 85 -13.859 19.404 -1.165 620 HA GLU 85 HA GLU 85 -13.467 22.183 -1.033 621 HB2 GLU 85 2HB GLU 85 -16.070 21.843 -1.282 622 HB3 GLU 85 3HB GLU 85 -15.972 21.472 0.434 623 HG2 GLU 85 2HG GLU 85 -16.314 23.683 0.633 624 HG3 GLU 85 3HG GLU 85 -14.567 23.746 0.405 625 H ILE 86 H ILE 86 -11.646 21.145 0.007 626 HA ILE 86 HA ILE 86 -12.115 20.820 2.872 627 HB ILE 86 HB ILE 86 -12.105 18.537 2.080 628 HG12 ILE 86 2HG1 ILE 86 -9.337 18.690 3.126 629 HG13 ILE 86 3HG1 ILE 86 -10.574 19.480 4.097 630 HG21 ILE 86 1HG2 ILE 86 -9.527 18.068 1.141 631 HG22 ILE 86 2HG2 ILE 86 -11.018 18.062 0.200 632 HG23 ILE 86 3HG2 ILE 86 -10.053 19.534 0.313 633 HD11 ILE 86 1HD1 ILE 86 -11.853 17.309 3.999 634 HD12 ILE 86 2HD1 ILE 86 -10.392 16.588 3.323 635 HD13 ILE 86 3HD1 ILE 86 -10.360 17.296 4.938 636 H ARG 87 H ARG 87 -10.420 21.469 4.164 637 HA ARG 87 HA ARG 87 -8.211 22.803 2.752 638 HB2 ARG 87 2HB ARG 87 -9.967 23.684 4.796 639 HB3 ARG 87 3HB ARG 87 -8.365 23.554 5.512 640 HG2 ARG 87 2HG ARG 87 -8.556 24.896 2.883 641 HG3 ARG 87 3HG ARG 87 -9.223 25.747 4.278 642 HD2 ARG 87 2HD ARG 87 -6.584 24.544 4.722 643 HD3 ARG 87 3HD ARG 87 -6.612 25.819 3.505 644 HE ARG 87 HE ARG 87 -6.852 26.144 6.320 645 HH11 ARG 87 1HH1 ARG 87 -7.915 27.438 3.268 646 HH12 ARG 87 2HH1 ARG 87 -8.190 29.031 3.891 647 HH21 ARG 87 1HH2 ARG 87 -7.211 28.238 7.152 648 HH22 ARG 87 2HH2 ARG 87 -7.789 29.485 6.100 649 H LEU 88 H LEU 88 -6.087 22.544 3.448 650 HA LEU 88 HA LEU 88 -5.577 20.037 4.831 651 HB2 LEU 88 2HB LEU 88 -4.443 21.022 2.658 652 HB3 LEU 88 3HB LEU 88 -3.392 21.798 3.841 653 HG LEU 88 HG LEU 88 -3.248 19.274 4.727 654 HD11 LEU 88 1HD1 LEU 88 -3.046 18.577 1.906 655 HD12 LEU 88 2HD1 LEU 88 -4.697 18.911 2.428 656 HD13 LEU 88 3HD1 LEU 88 -3.745 17.676 3.252 657 HD21 LEU 88 1HD2 LEU 88 -1.151 19.908 4.348 658 HD22 LEU 88 2HD2 LEU 88 -1.648 21.018 3.071 659 HD23 LEU 88 3HD2 LEU 88 -1.349 19.320 2.697 660 H ILE 89 H ILE 89 -5.182 19.955 6.932 661 HA ILE 89 HA ILE 89 -3.768 22.185 8.210 662 HB ILE 89 HB ILE 89 -6.232 20.873 9.364 663 HG12 ILE 89 2HG1 ILE 89 -5.801 23.681 8.321 664 HG13 ILE 89 3HG1 ILE 89 -6.767 22.431 7.544 665 HG21 ILE 89 1HG2 ILE 89 -4.573 23.147 10.443 666 HG22 ILE 89 2HG2 ILE 89 -6.001 22.436 11.193 667 HG23 ILE 89 3HG2 ILE 89 -4.524 21.486 11.033 668 HD11 ILE 89 1HD1 ILE 89 -7.381 24.134 9.874 669 HD12 ILE 89 2HD1 ILE 89 -8.431 23.540 8.586 670 HD13 ILE 89 3HD1 ILE 89 -7.977 22.474 9.915 671 HA PRO 90 HA PRO 90 -1.352 18.848 9.820 672 HB2 PRO 90 2HB PRO 90 0.054 20.287 11.643 673 HB3 PRO 90 3HB PRO 90 0.377 20.359 9.907 674 HG2 PRO 90 2HG PRO 90 -1.186 22.249 11.622 675 HG3 PRO 90 3HG PRO 90 -0.016 22.609 10.339 676 HD2 PRO 90 2HD PRO 90 -2.693 22.719 9.943 677 HD3 PRO 90 3HD PRO 90 -1.557 22.252 8.662 678 H ARG 91 H ARG 91 -3.410 17.964 10.754 679 HA ARG 91 HA ARG 91 -3.716 18.517 13.617 680 HB2 ARG 91 2HB ARG 91 -5.615 18.257 11.697 681 HB3 ARG 91 3HB ARG 91 -5.547 16.608 12.304 682 HG2 ARG 91 2HG ARG 91 -5.605 18.435 14.505 683 HG3 ARG 91 3HG ARG 91 -6.926 18.795 13.391 684 HD2 ARG 91 2HD ARG 91 -6.329 16.013 14.365 685 HD3 ARG 91 3HD ARG 91 -7.410 17.109 15.223 686 HE ARG 91 HE ARG 91 -8.065 16.774 12.444 687 HH11 ARG 91 1HH1 ARG 91 -8.483 15.510 15.661 688 HH12 ARG 91 2HH1 ARG 91 -9.979 14.716 15.295 689 HH21 ARG 91 1HH2 ARG 91 -10.033 15.732 11.950 690 HH22 ARG 91 2HH2 ARG 91 -10.859 14.842 13.184 691 H ASP 92 H ASP 92 -4.030 16.673 15.077 692 HA ASP 92 HA ASP 92 -3.344 14.730 16.042 693 HB2 ASP 92 2HB ASP 92 -4.359 13.968 13.638 694 HB3 ASP 92 3HB ASP 92 -2.713 13.353 13.508 695 H ARG 93 H ARG 93 -1.431 16.833 15.175 696 HA ARG 93 HA ARG 93 1.000 15.206 15.414 697 HB2 ARG 93 2HB ARG 93 0.606 16.010 13.032 698 HB3 ARG 93 3HB ARG 93 0.859 17.641 13.640 699 HG2 ARG 93 2HG ARG 93 3.100 17.290 14.042 700 HG3 ARG 93 3HG ARG 93 2.911 15.539 14.158 701 HD2 ARG 93 2HD ARG 93 3.463 15.332 12.018 702 HD3 ARG 93 3HD ARG 93 2.093 16.344 11.562 703 HE ARG 93 HE ARG 93 4.851 17.105 11.631 704 HH11 ARG 93 1HH1 ARG 93 1.584 18.270 11.929 705 HH12 ARG 93 2HH1 ARG 93 1.980 19.890 11.460 706 HH21 ARG 93 1HH2 ARG 93 5.386 19.235 11.013 707 HH22 ARG 93 2HH2 ARG 93 4.143 20.438 10.939 708 H VAL 94 H VAL 94 0.207 18.675 15.159 709 HA VAL 94 HA VAL 94 2.023 19.306 17.307 710 HB VAL 94 HB VAL 94 0.100 21.091 15.808 711 HG11 VAL 94 1HG1 VAL 94 2.351 21.737 17.706 712 HG12 VAL 94 2HG1 VAL 94 1.543 22.921 16.677 713 HG13 VAL 94 3HG1 VAL 94 0.635 22.076 17.931 714 HG21 VAL 94 1HG2 VAL 94 1.995 21.781 14.498 715 HG22 VAL 94 2HG2 VAL 94 3.077 20.765 15.450 716 HG23 VAL 94 3HG2 VAL 94 1.858 20.024 14.413 717 H GLY 95 H GLY 95 -1.443 20.028 16.813 718 HA2 GLY 95 2HA GLY 95 -1.819 20.449 19.643 719 HA3 GLY 95 3HA GLY 95 -3.054 20.551 18.398 Start of MODEL 10 1 H1 MET 1 H MET 1 1.192 -2.755 2.297 2 HA MET 1 HA MET 1 0.447 0.026 2.475 3 HB2 MET 1 2HB MET 1 0.277 -1.199 4.827 4 HB3 MET 1 3HB MET 1 2.016 -0.936 4.820 5 HG2 MET 1 2HG MET 1 1.653 1.103 5.584 6 HG3 MET 1 3HG MET 1 0.890 1.499 4.046 7 HE1 MET 1 1HE MET 1 -0.611 3.168 6.852 8 HE2 MET 1 2HE MET 1 -0.066 3.281 5.179 9 HE3 MET 1 3HE MET 1 -1.790 3.180 5.540 10 H SER 2 H SER 2 2.405 1.429 2.758 11 HA SER 2 HA SER 2 4.452 2.100 2.028 12 HB2 SER 2 2HB SER 2 5.486 -0.696 2.410 13 HB3 SER 2 3HB SER 2 6.308 0.839 2.693 14 HG SER 2 HG SER 2 5.547 0.852 4.647 15 H GLN 3 H GLN 3 2.980 1.880 -0.051 16 HA GLN 3 HA GLN 3 4.606 0.434 -2.026 17 HB2 GLN 3 2HB GLN 3 2.458 0.041 -3.308 18 HB3 GLN 3 3HB GLN 3 2.666 -0.916 -1.848 19 HG2 GLN 3 2HG GLN 3 0.895 0.003 -0.841 20 HG3 GLN 3 3HG GLN 3 1.268 1.620 -1.435 21 HE21 GLN 3 1HE2 GLN 3 -0.453 2.356 -2.452 22 HE22 GLN 3 2HE2 GLN 3 -1.391 1.493 -3.618 23 H ASN 4 H ASN 4 5.268 1.651 -3.678 24 HA ASN 4 HA ASN 4 3.992 4.281 -4.045 25 HB2 ASN 4 2HB ASN 4 6.748 3.522 -3.705 26 HB3 ASN 4 3HB ASN 4 6.534 4.298 -5.271 27 HD21 ASN 4 1HD2 ASN 4 7.794 6.042 -4.511 28 HD22 ASN 4 2HD2 ASN 4 7.117 7.239 -3.465 29 H GLU 5 H GLU 5 2.825 4.439 -5.833 30 HA GLU 5 HA GLU 5 3.849 3.615 -8.376 31 HB2 GLU 5 2HB GLU 5 2.150 2.003 -8.952 32 HB3 GLU 5 3HB GLU 5 2.967 1.469 -7.491 33 HG2 GLU 5 2HG GLU 5 1.034 2.602 -6.240 34 HG3 GLU 5 3HG GLU 5 0.210 2.589 -7.798 35 H GLU 6 H GLU 6 1.861 3.791 -10.041 36 HA GLU 6 HA GLU 6 0.373 6.229 -9.314 37 HB2 GLU 6 2HB GLU 6 2.281 5.822 -11.420 38 HB3 GLU 6 3HB GLU 6 0.705 6.161 -12.122 39 HG2 GLU 6 2HG GLU 6 0.701 8.101 -10.347 40 HG3 GLU 6 3HG GLU 6 2.448 7.886 -10.447 41 H ALA 7 H ALA 7 -1.752 6.319 -9.851 42 HA ALA 7 HA ALA 7 -3.198 3.972 -10.250 43 HB1 ALA 7 1HB ALA 7 -4.974 5.271 -9.875 44 HB2 ALA 7 2HB ALA 7 -3.815 6.580 -9.642 45 HB3 ALA 7 3HB ALA 7 -4.578 6.348 -11.215 46 HA PRO 8 HA PRO 8 -3.235 3.167 -14.563 47 HB2 PRO 8 2HB PRO 8 -5.807 2.413 -14.995 48 HB3 PRO 8 3HB PRO 8 -4.644 1.405 -14.125 49 HG2 PRO 8 2HG PRO 8 -6.773 3.208 -13.039 50 HG3 PRO 8 3HG PRO 8 -6.314 1.577 -12.517 51 HD2 PRO 8 2HD PRO 8 -5.504 3.806 -11.210 52 HD3 PRO 8 3HD PRO 8 -4.511 2.337 -11.299 53 H ALA 9 H ALA 9 -6.067 5.064 -13.529 54 HA ALA 9 HA ALA 9 -7.192 6.789 -14.503 55 HB1 ALA 9 1HB ALA 9 -4.636 7.498 -15.906 56 HB2 ALA 9 2HB ALA 9 -5.896 8.569 -15.293 57 HB3 ALA 9 3HB ALA 9 -4.835 7.721 -14.168 58 H ARG 10 H ARG 10 -7.258 4.274 -15.887 59 HA ARG 10 HA ARG 10 -7.451 5.167 -18.687 60 HB2 ARG 10 2HB ARG 10 -7.197 2.863 -19.356 61 HB3 ARG 10 3HB ARG 10 -5.888 3.283 -18.259 62 HG2 ARG 10 2HG ARG 10 -7.672 2.298 -16.503 63 HG3 ARG 10 3HG ARG 10 -8.088 1.357 -17.937 64 HD2 ARG 10 2HD ARG 10 -5.270 1.647 -16.922 65 HD3 ARG 10 3HD ARG 10 -6.345 0.349 -16.407 66 HE ARG 10 HE ARG 10 -4.945 0.534 -18.886 67 HH11 ARG 10 1HH1 ARG 10 -7.846 -0.671 -17.383 68 HH12 ARG 10 2HH1 ARG 10 -8.077 -1.937 -18.543 69 HH21 ARG 10 1HH2 ARG 10 -5.239 -1.130 -20.419 70 HH22 ARG 10 2HH2 ARG 10 -6.593 -2.198 -20.268 71 H SER 11 H SER 11 -9.140 3.700 -16.009 72 HA SER 11 HA SER 11 -11.412 2.761 -17.357 73 HB2 SER 11 2HB SER 11 -10.647 3.304 -14.583 74 HB3 SER 11 3HB SER 11 -12.367 3.542 -14.889 75 HG SER 11 HG SER 11 -10.989 1.245 -14.664 76 H GLY 12 H GLY 12 -13.592 3.673 -17.322 77 HA2 GLY 12 2HA GLY 12 -13.589 6.361 -18.309 78 HA3 GLY 12 3HA GLY 12 -14.996 5.328 -18.104 79 H GLY 13 H GLY 13 -12.707 7.365 -16.314 80 HA2 GLY 13 2HA GLY 13 -14.735 8.732 -14.914 81 HA3 GLY 13 3HA GLY 13 -14.101 7.454 -13.888 82 H LYS 14 H LYS 14 -13.920 10.589 -14.198 83 HA LYS 14 HA LYS 14 -11.163 10.694 -13.244 84 HB2 LYS 14 2HB LYS 14 -12.181 12.595 -15.360 85 HB3 LYS 14 3HB LYS 14 -10.565 12.552 -14.667 86 HG2 LYS 14 2HG LYS 14 -10.472 10.152 -15.609 87 HG3 LYS 14 3HG LYS 14 -11.838 10.662 -16.603 88 HD2 LYS 14 2HD LYS 14 -10.322 11.460 -18.036 89 HD3 LYS 14 3HD LYS 14 -10.036 12.743 -16.857 90 HE2 LYS 14 2HE LYS 14 -8.500 10.735 -15.854 91 HE3 LYS 14 3HE LYS 14 -8.373 10.434 -17.587 92 HZ1 LYS 14 1HZ LYS 14 -7.997 13.069 -17.503 93 HZ2 LYS 14 2HZ LYS 14 -6.736 11.944 -17.435 94 HZ3 LYS 14 3HZ LYS 14 -7.331 12.633 -16.010 95 H VAL 15 H VAL 15 -10.879 12.092 -11.594 96 HA VAL 15 HA VAL 15 -12.999 14.059 -11.058 97 HB VAL 15 HB VAL 15 -11.701 12.377 -8.914 98 HG11 VAL 15 1HG1 VAL 15 -13.845 14.475 -8.926 99 HG12 VAL 15 2HG1 VAL 15 -13.722 13.287 -7.626 100 HG13 VAL 15 3HG1 VAL 15 -12.383 14.391 -7.944 101 HG21 VAL 15 1HG2 VAL 15 -14.444 12.102 -10.140 102 HG22 VAL 15 2HG2 VAL 15 -13.105 10.970 -10.329 103 HG23 VAL 15 3HG2 VAL 15 -13.846 11.204 -8.745 104 H THR 16 H THR 16 -12.355 15.922 -9.929 105 HA THR 16 HA THR 16 -9.441 16.295 -9.694 106 HB THR 16 HB THR 16 -9.833 18.697 -10.331 107 HG1 THR 16 HG1 THR 16 -12.341 17.691 -11.243 108 HG21 THR 16 1HG2 THR 16 -10.104 16.371 -12.154 109 HG22 THR 16 2HG2 THR 16 -8.865 17.625 -12.094 110 HG23 THR 16 3HG2 THR 16 -10.430 17.967 -12.829 111 H PHE 17 H PHE 17 -8.862 16.697 -7.672 112 HA PHE 17 HA PHE 17 -10.792 18.031 -5.891 113 HB2 PHE 17 2HB PHE 17 -8.558 16.107 -5.215 114 HB3 PHE 17 3HB PHE 17 -9.562 16.933 -4.028 115 HD1 PHE 17 HD1 PHE 17 -9.074 13.885 -5.352 116 HD2 PHE 17 HD2 PHE 17 -12.228 16.705 -4.886 117 HE1 PHE 17 HE1 PHE 17 -10.721 12.061 -5.486 118 HE2 PHE 17 HE2 PHE 17 -13.879 14.886 -5.019 119 HZ PHE 17 HZ PHE 17 -13.126 12.561 -5.318 120 H ARG 18 H ARG 18 -10.222 19.868 -4.869 121 HA ARG 18 HA ARG 18 -7.493 20.871 -5.343 122 HB2 ARG 18 2HB ARG 18 -8.589 23.150 -4.988 123 HB3 ARG 18 3HB ARG 18 -8.967 22.308 -6.485 124 HG2 ARG 18 2HG ARG 18 -11.089 21.562 -5.531 125 HG3 ARG 18 3HG ARG 18 -10.709 22.412 -4.031 126 HD2 ARG 18 2HD ARG 18 -12.153 23.828 -5.266 127 HD3 ARG 18 3HD ARG 18 -10.536 24.517 -5.399 128 HE ARG 18 HE ARG 18 -10.560 24.077 -7.654 129 HH11 ARG 18 1HH1 ARG 18 -13.203 22.418 -6.110 130 HH12 ARG 18 2HH1 ARG 18 -13.956 21.958 -7.601 131 HH21 ARG 18 1HH2 ARG 18 -11.543 23.478 -9.623 132 HH22 ARG 18 2HH2 ARG 18 -13.010 22.560 -9.599 133 H ILE 19 H ILE 19 -6.294 20.673 -3.571 134 HA ILE 19 HA ILE 19 -7.557 21.075 -0.947 135 HB ILE 19 HB ILE 19 -5.463 20.002 -0.049 136 HG12 ILE 19 2HG1 ILE 19 -5.036 19.313 -2.965 137 HG13 ILE 19 3HG1 ILE 19 -4.043 20.422 -2.025 138 HG21 ILE 19 1HG2 ILE 19 -7.775 18.888 -1.027 139 HG22 ILE 19 2HG2 ILE 19 -6.517 17.910 -1.779 140 HG23 ILE 19 3HG2 ILE 19 -6.580 18.067 -0.024 141 HD11 ILE 19 1HD1 ILE 19 -4.246 17.877 -0.706 142 HD12 ILE 19 2HD1 ILE 19 -3.668 17.689 -2.362 143 HD13 ILE 19 3HD1 ILE 19 -2.816 18.757 -1.247 144 H ILE 20 H ILE 20 -7.009 22.753 0.302 145 HA ILE 20 HA ILE 20 -4.752 24.434 -0.575 146 HB ILE 20 HB ILE 20 -7.279 25.284 0.846 147 HG12 ILE 20 2HG1 ILE 20 -7.347 26.699 -1.387 148 HG13 ILE 20 3HG1 ILE 20 -6.351 25.381 -1.995 149 HG21 ILE 20 1HG2 ILE 20 -4.682 26.557 0.532 150 HG22 ILE 20 2HG2 ILE 20 -6.010 27.546 -0.072 151 HG23 ILE 20 3HG2 ILE 20 -6.026 26.972 1.595 152 HD11 ILE 20 1HD1 ILE 20 -8.594 24.311 -0.586 153 HD12 ILE 20 2HD1 ILE 20 -9.141 25.480 -1.788 154 HD13 ILE 20 3HD1 ILE 20 -8.137 24.115 -2.277 155 H LEU 21 H LEU 21 -3.106 24.611 0.788 156 HA LEU 21 HA LEU 21 -3.454 23.696 3.548 157 HB2 LEU 21 2HB LEU 21 -1.435 23.351 1.615 158 HB3 LEU 21 3HB LEU 21 -0.744 24.353 2.889 159 HG LEU 21 HG LEU 21 -1.933 21.598 3.199 160 HD11 LEU 21 1HD1 LEU 21 0.138 21.040 2.546 161 HD12 LEU 21 2HD1 LEU 21 0.599 21.525 4.177 162 HD13 LEU 21 3HD1 LEU 21 0.777 22.658 2.838 163 HD21 LEU 21 1HD2 LEU 21 -1.243 21.775 5.545 164 HD22 LEU 21 2HD2 LEU 21 -2.477 22.966 5.134 165 HD23 LEU 21 3HD2 LEU 21 -0.789 23.459 5.280 166 H THR 22 H THR 22 -2.625 24.901 5.314 167 HA THR 22 HA THR 22 -2.830 27.779 4.905 168 HB THR 22 HB THR 22 -2.705 27.808 7.463 169 HG1 THR 22 HG1 THR 22 -2.045 25.882 8.143 170 HG21 THR 22 1HG2 THR 22 -4.860 28.172 6.905 171 HG22 THR 22 2HG2 THR 22 -5.093 26.504 7.431 172 HG23 THR 22 3HG2 THR 22 -4.877 26.868 5.719 173 H SER 23 H SER 23 -0.451 25.362 5.528 174 HA SER 23 HA SER 23 1.522 27.302 6.443 175 HB2 SER 23 2HB SER 23 1.147 24.707 7.127 176 HB3 SER 23 3HB SER 23 2.368 24.525 5.868 177 HG SER 23 HG SER 23 2.561 26.190 8.161 178 H GLU 24 H GLU 24 0.442 25.897 3.545 179 HA GLU 24 HA GLU 24 2.982 26.337 2.167 180 HB2 GLU 24 2HB GLU 24 1.527 24.269 1.804 181 HB3 GLU 24 3HB GLU 24 0.423 25.327 0.938 182 HG2 GLU 24 2HG GLU 24 3.139 25.644 0.009 183 HG3 GLU 24 3HG GLU 24 2.600 23.969 -0.106 184 H ARG 25 H ARG 25 2.304 28.709 2.931 185 HA ARG 25 HA ARG 25 0.402 30.121 1.406 186 HB2 ARG 25 2HB ARG 25 1.465 32.130 2.237 187 HB3 ARG 25 3HB ARG 25 1.372 30.942 3.531 188 HG2 ARG 25 2HG ARG 25 3.732 30.352 3.115 189 HG3 ARG 25 3HG ARG 25 3.805 31.627 1.896 190 HD2 ARG 25 2HD ARG 25 4.344 33.052 3.513 191 HD3 ARG 25 3HD ARG 25 2.728 32.829 4.181 192 HE ARG 25 HE ARG 25 3.662 31.651 5.893 193 HH11 ARG 25 1HH1 ARG 25 5.895 31.686 3.222 194 HH12 ARG 25 2HH1 ARG 25 7.163 30.898 4.101 195 HH21 ARG 25 1HH2 ARG 25 5.323 30.611 7.061 196 HH22 ARG 25 2HH2 ARG 25 6.836 30.286 6.285 197 H SER 26 H SER 26 3.458 28.874 0.591 198 HA SER 26 HA SER 26 4.400 30.723 -1.275 199 HB2 SER 26 2HB SER 26 4.977 27.995 -0.528 200 HB3 SER 26 3HB SER 26 5.042 28.173 -2.281 201 HG SER 26 HG SER 26 6.502 29.898 -1.980 202 H GLN 27 H GLN 27 1.933 28.249 -1.539 203 HA GLN 27 HA GLN 27 0.679 29.462 -3.739 204 HB2 GLN 27 2HB GLN 27 2.857 28.318 -4.696 205 HB3 GLN 27 3HB GLN 27 1.872 26.864 -4.605 206 HG2 GLN 27 2HG GLN 27 0.921 27.386 -6.526 207 HG3 GLN 27 3HG GLN 27 0.303 28.878 -5.818 208 HE21 GLN 27 1HE2 GLN 27 2.191 30.563 -5.568 209 HE22 GLN 27 2HE2 GLN 27 3.097 30.825 -7.016 210 HA PRO 28 HA PRO 28 -1.658 26.287 -1.240 211 HB2 PRO 28 2HB PRO 28 -3.592 27.999 -0.403 212 HB3 PRO 28 3HB PRO 28 -2.071 27.767 0.468 213 HG2 PRO 28 2HG PRO 28 -2.853 29.945 -1.432 214 HG3 PRO 28 3HG PRO 28 -1.988 30.064 0.112 215 HD2 PRO 28 2HD PRO 28 -0.718 30.139 -2.279 216 HD3 PRO 28 3HD PRO 28 0.025 29.444 -0.824 217 H PHE 29 H PHE 29 -1.976 25.619 -3.557 218 HA PHE 29 HA PHE 29 -4.710 25.527 -4.183 219 HB2 PHE 29 2HB PHE 29 -3.875 27.939 -4.908 220 HB3 PHE 29 3HB PHE 29 -3.309 27.061 -6.325 221 HD1 PHE 29 HD1 PHE 29 -4.778 26.494 -8.045 222 HD2 PHE 29 HD2 PHE 29 -6.324 27.761 -4.287 223 HE1 PHE 29 HE1 PHE 29 -7.038 26.599 -9.013 224 HE2 PHE 29 HE2 PHE 29 -8.586 27.866 -5.249 225 HZ PHE 29 HZ PHE 29 -8.945 27.284 -7.615 226 H ARG 30 H ARG 30 -3.180 23.464 -3.922 227 HA ARG 30 HA ARG 30 -2.053 22.679 -6.497 228 HB2 ARG 30 2HB ARG 30 -1.855 21.674 -3.702 229 HB3 ARG 30 3HB ARG 30 -1.641 20.510 -5.002 230 HG2 ARG 30 2HG ARG 30 -0.068 23.059 -4.694 231 HG3 ARG 30 3HG ARG 30 0.481 21.456 -4.198 232 HD2 ARG 30 2HD ARG 30 0.054 20.759 -6.619 233 HD3 ARG 30 3HD ARG 30 -0.044 22.484 -6.971 234 HE ARG 30 HE ARG 30 2.326 20.962 -6.401 235 HH11 ARG 30 1HH1 ARG 30 0.877 24.127 -6.358 236 HH12 ARG 30 2HH1 ARG 30 2.391 24.965 -6.444 237 HH21 ARG 30 1HH2 ARG 30 4.326 22.053 -6.515 238 HH22 ARG 30 2HH2 ARG 30 4.352 23.784 -6.535 239 H VAL 31 H VAL 31 -3.326 21.753 -7.949 240 HA VAL 31 HA VAL 31 -5.750 20.366 -7.071 241 HB VAL 31 HB VAL 31 -6.054 22.069 -8.789 242 HG11 VAL 31 1HG1 VAL 31 -4.645 22.362 -10.483 243 HG12 VAL 31 2HG1 VAL 31 -3.647 21.072 -9.808 244 HG13 VAL 31 3HG1 VAL 31 -4.869 20.698 -11.024 245 HG21 VAL 31 1HG2 VAL 31 -7.511 20.085 -8.773 246 HG22 VAL 31 2HG2 VAL 31 -7.307 20.749 -10.394 247 HG23 VAL 31 3HG2 VAL 31 -6.427 19.296 -9.919 248 H ILE 32 H ILE 32 -6.100 18.230 -7.382 249 HA ILE 32 HA ILE 32 -4.003 16.696 -8.773 250 HB ILE 32 HB ILE 32 -4.328 14.873 -7.151 251 HG12 ILE 32 2HG1 ILE 32 -5.454 16.005 -4.925 252 HG13 ILE 32 3HG1 ILE 32 -6.445 16.685 -6.211 253 HG21 ILE 32 1HG2 ILE 32 -2.762 15.697 -5.749 254 HG22 ILE 32 2HG2 ILE 32 -2.777 17.050 -6.879 255 HG23 ILE 32 3HG2 ILE 32 -3.699 17.144 -5.378 256 HD11 ILE 32 1HD1 ILE 32 -7.525 14.772 -6.498 257 HD12 ILE 32 2HD1 ILE 32 -6.025 13.846 -6.561 258 HD13 ILE 32 3HD1 ILE 32 -6.763 14.225 -5.005 259 H SER 33 H SER 33 -4.706 15.382 -10.326 260 HA SER 33 HA SER 33 -7.598 14.951 -10.570 261 HB2 SER 33 2HB SER 33 -7.288 14.700 -12.895 262 HB3 SER 33 3HB SER 33 -6.194 16.009 -12.449 263 HG SER 33 HG SER 33 -4.495 14.491 -12.434 264 H ILE 34 H ILE 34 -8.411 13.037 -10.066 265 HA ILE 34 HA ILE 34 -6.900 10.610 -10.616 266 HB ILE 34 HB ILE 34 -6.301 11.221 -8.291 267 HG12 ILE 34 2HG1 ILE 34 -6.854 9.031 -7.291 268 HG13 ILE 34 3HG1 ILE 34 -8.051 8.765 -8.553 269 HG21 ILE 34 1HG2 ILE 34 -7.885 11.330 -6.549 270 HG22 ILE 34 2HG2 ILE 34 -8.541 12.321 -7.851 271 HG23 ILE 34 3HG2 ILE 34 -9.172 10.697 -7.575 272 HD11 ILE 34 1HD1 ILE 34 -5.539 7.832 -8.647 273 HD12 ILE 34 2HD1 ILE 34 -6.503 8.199 -10.079 274 HD13 ILE 34 3HD1 ILE 34 -5.327 9.371 -9.483 275 H ALA 35 H ALA 35 -8.173 8.784 -10.895 276 HA ALA 35 HA ALA 35 -10.766 9.147 -11.850 277 HB1 ALA 35 1HB ALA 35 -8.963 7.117 -11.922 278 HB2 ALA 35 2HB ALA 35 -10.187 6.456 -10.837 279 HB3 ALA 35 3HB ALA 35 -10.639 6.989 -12.456 280 H GLU 36 H GLU 36 -12.803 8.691 -11.022 281 HA GLU 36 HA GLU 36 -13.252 9.339 -8.331 282 HB2 GLU 36 2HB GLU 36 -14.849 9.465 -10.368 283 HB3 GLU 36 3HB GLU 36 -15.233 7.794 -9.978 284 HG2 GLU 36 2HG GLU 36 -16.351 8.341 -8.082 285 HG3 GLU 36 3HG GLU 36 -15.363 9.769 -7.777 286 H GLU 37 H GLU 37 -12.539 6.338 -9.860 287 HA GLU 37 HA GLU 37 -13.238 4.880 -7.399 288 HB2 GLU 37 2HB GLU 37 -13.571 4.260 -10.201 289 HB3 GLU 37 3HB GLU 37 -12.608 3.022 -9.406 290 HG2 GLU 37 2HG GLU 37 -14.331 2.561 -7.844 291 HG3 GLU 37 3HG GLU 37 -15.252 3.978 -8.346 292 H ALA 38 H ALA 38 -10.687 6.319 -8.811 293 HA ALA 38 HA ALA 38 -8.707 4.248 -8.394 294 HB1 ALA 38 1HB ALA 38 -8.087 5.576 -10.167 295 HB2 ALA 38 2HB ALA 38 -8.648 7.059 -9.394 296 HB3 ALA 38 3HB ALA 38 -7.153 6.294 -8.855 297 HA PRO 39 HA PRO 39 -7.610 5.162 -4.243 298 HB2 PRO 39 2HB PRO 39 -4.924 4.769 -4.289 299 HB3 PRO 39 3HB PRO 39 -6.090 3.444 -4.385 300 HG2 PRO 39 2HG PRO 39 -4.572 4.794 -6.583 301 HG3 PRO 39 3HG PRO 39 -4.886 3.066 -6.338 302 HD2 PRO 39 2HD PRO 39 -6.306 4.572 -8.084 303 HD3 PRO 39 3HD PRO 39 -7.016 3.202 -7.206 304 H LEU 40 H LEU 40 -6.992 6.847 -2.963 305 HA LEU 40 HA LEU 40 -6.453 9.348 -4.165 306 HB2 LEU 40 2HB LEU 40 -7.657 9.370 -2.146 307 HB3 LEU 40 3HB LEU 40 -6.456 8.375 -1.325 308 HG LEU 40 HG LEU 40 -5.594 11.052 -2.277 309 HD11 LEU 40 1HD1 LEU 40 -6.623 12.268 -0.586 310 HD12 LEU 40 2HD1 LEU 40 -7.080 10.822 0.313 311 HD13 LEU 40 3HD1 LEU 40 -7.918 11.230 -1.184 312 HD21 LEU 40 1HD2 LEU 40 -5.006 10.256 0.447 313 HD22 LEU 40 2HD2 LEU 40 -3.910 10.675 -0.870 314 HD23 LEU 40 3HD2 LEU 40 -4.523 9.027 -0.722 315 H THR 41 H THR 41 -4.422 6.785 -3.248 316 HA THR 41 HA THR 41 -2.091 7.974 -2.394 317 HB THR 41 HB THR 41 -2.104 5.723 -4.400 318 HG1 THR 41 HG1 THR 41 -2.820 4.394 -2.866 319 HG21 THR 41 1HG2 THR 41 0.100 5.944 -3.973 320 HG22 THR 41 2HG2 THR 41 -0.290 5.112 -2.467 321 HG23 THR 41 3HG2 THR 41 -0.178 6.871 -2.500 322 H ALA 42 H ALA 42 -3.472 7.930 -5.601 323 HA ALA 42 HA ALA 42 -1.191 8.711 -7.059 324 HB1 ALA 42 1HB ALA 42 -3.798 8.063 -7.672 325 HB2 ALA 42 2HB ALA 42 -3.685 9.766 -8.117 326 HB3 ALA 42 3HB ALA 42 -2.563 8.597 -8.813 327 H ALA 43 H ALA 43 -3.652 10.554 -5.334 328 HA ALA 43 HA ALA 43 -2.871 13.111 -6.266 329 HB1 ALA 43 1HB ALA 43 -4.255 12.434 -3.675 330 HB2 ALA 43 2HB ALA 43 -4.245 13.996 -4.494 331 HB3 ALA 43 3HB ALA 43 -5.063 12.619 -5.231 332 H LEU 44 H LEU 44 -1.684 11.020 -3.752 333 HA LEU 44 HA LEU 44 -0.392 12.766 -2.059 334 HB2 LEU 44 2HB LEU 44 -0.450 10.037 -2.431 335 HB3 LEU 44 3HB LEU 44 1.240 10.445 -2.720 336 HG LEU 44 HG LEU 44 0.985 9.808 -0.427 337 HD11 LEU 44 1HD1 LEU 44 1.724 11.867 0.711 338 HD12 LEU 44 2HD1 LEU 44 1.257 12.796 -0.713 339 HD13 LEU 44 3HD1 LEU 44 2.549 11.601 -0.825 340 HD21 LEU 44 1HD2 LEU 44 -0.928 10.123 0.646 341 HD22 LEU 44 2HD2 LEU 44 -1.524 11.137 -0.668 342 HD23 LEU 44 3HD2 LEU 44 -0.622 11.860 0.665 343 H ARG 45 H ARG 45 0.463 11.833 -5.306 344 HA ARG 45 HA ARG 45 3.137 12.490 -5.433 345 HB2 ARG 45 2HB ARG 45 1.292 11.731 -7.255 346 HB3 ARG 45 3HB ARG 45 1.482 13.421 -7.703 347 HG2 ARG 45 2HG ARG 45 3.786 11.510 -7.421 348 HG3 ARG 45 3HG ARG 45 2.945 11.817 -8.941 349 HD2 ARG 45 2HD ARG 45 3.447 14.300 -8.455 350 HD3 ARG 45 3HD ARG 45 4.631 13.679 -7.305 351 HE ARG 45 HE ARG 45 5.977 13.109 -9.062 352 HH11 ARG 45 1HH1 ARG 45 2.745 13.644 -10.241 353 HH12 ARG 45 2HH1 ARG 45 3.193 13.519 -11.910 354 HH21 ARG 45 1HH2 ARG 45 6.579 12.942 -11.256 355 HH22 ARG 45 2HH2 ARG 45 5.374 13.119 -12.486 356 H PHE 46 H PHE 46 0.400 14.681 -6.096 357 HA PHE 46 HA PHE 46 2.168 16.977 -6.019 358 HB2 PHE 46 2HB PHE 46 -0.667 16.489 -6.784 359 HB3 PHE 46 3HB PHE 46 -0.236 18.113 -6.258 360 HD1 PHE 46 HD1 PHE 46 0.026 15.642 -8.889 361 HD2 PHE 46 HD2 PHE 46 1.437 19.416 -7.516 362 HE1 PHE 46 HE1 PHE 46 0.892 16.133 -11.139 363 HE2 PHE 46 HE2 PHE 46 2.305 19.913 -9.764 364 HZ PHE 46 HZ PHE 46 2.032 18.271 -11.579 365 H ALA 47 H ALA 47 -0.252 15.439 -4.016 366 HA ALA 47 HA ALA 47 -0.761 17.501 -2.202 367 HB1 ALA 47 1HB ALA 47 -1.138 14.607 -2.286 368 HB2 ALA 47 2HB ALA 47 -0.917 15.247 -0.657 369 HB3 ALA 47 3HB ALA 47 -2.206 15.875 -1.683 370 H ALA 48 H ALA 48 1.786 15.040 -2.222 371 HA ALA 48 HA ALA 48 2.910 15.581 0.274 372 HB1 ALA 48 1HB ALA 48 4.261 14.614 -2.242 373 HB2 ALA 48 2HB ALA 48 4.957 14.548 -0.623 374 HB3 ALA 48 3HB ALA 48 3.511 13.612 -0.999 375 H GLU 49 H GLU 49 3.100 17.322 -2.722 376 HA GLU 49 HA GLU 49 5.430 18.845 -2.062 377 HB2 GLU 49 2HB GLU 49 3.304 19.653 -4.036 378 HB3 GLU 49 3HB GLU 49 5.011 20.074 -4.046 379 HG2 GLU 49 2HG GLU 49 5.357 17.504 -4.283 380 HG3 GLU 49 3HG GLU 49 3.684 17.526 -4.838 381 H GLU 50 H GLU 50 1.967 19.260 -1.661 382 HA GLU 50 HA GLU 50 1.898 21.976 -1.019 383 HB2 GLU 50 2HB GLU 50 0.144 19.644 -0.604 384 HB3 GLU 50 3HB GLU 50 -0.082 20.953 0.548 385 HG2 GLU 50 2HG GLU 50 0.064 22.179 -1.958 386 HG3 GLU 50 3HG GLU 50 -0.945 20.751 -2.181 387 H PHE 51 H PHE 51 2.430 19.147 1.045 388 HA PHE 51 HA PHE 51 2.866 20.861 3.361 389 HB2 PHE 51 2HB PHE 51 2.101 18.103 2.937 390 HB3 PHE 51 3HB PHE 51 3.453 18.210 4.061 391 HD1 PHE 51 HD1 PHE 51 3.213 19.806 6.042 392 HD2 PHE 51 HD2 PHE 51 -0.067 18.515 3.656 393 HE1 PHE 51 HE1 PHE 51 1.661 20.411 7.853 394 HE2 PHE 51 HE2 PHE 51 -1.624 19.119 5.463 395 HZ PHE 51 HZ PHE 51 -0.761 20.070 7.564 396 H GLY 52 H GLY 52 4.650 19.177 0.950 397 HA2 GLY 52 2HA GLY 52 6.905 19.068 0.526 398 HA3 GLY 52 3HA GLY 52 7.109 20.328 1.734 399 H ILE 53 H ILE 53 5.630 17.239 2.445 400 HA ILE 53 HA ILE 53 8.052 16.468 3.936 401 HB ILE 53 HB ILE 53 6.720 15.602 5.737 402 HG12 ILE 53 2HG1 ILE 53 4.348 16.438 4.059 403 HG13 ILE 53 3HG1 ILE 53 4.787 14.801 4.533 404 HG21 ILE 53 1HG2 ILE 53 5.672 18.351 5.089 405 HG22 ILE 53 2HG2 ILE 53 5.888 17.632 6.684 406 HG23 ILE 53 3HG2 ILE 53 7.295 18.032 5.700 407 HD11 ILE 53 1HD1 ILE 53 3.753 17.008 6.286 408 HD12 ILE 53 2HD1 ILE 53 2.979 15.471 5.900 409 HD13 ILE 53 3HD1 ILE 53 4.424 15.502 6.910 410 H ALA 54 H ALA 54 7.376 14.021 4.826 411 HA ALA 54 HA ALA 54 7.808 12.341 2.663 412 HB1 ALA 54 1HB ALA 54 6.729 10.608 4.392 413 HB2 ALA 54 2HB ALA 54 8.357 11.263 4.576 414 HB3 ALA 54 3HB ALA 54 7.018 11.962 5.486 415 H SER 55 H SER 55 4.865 11.944 4.588 416 HA SER 55 HA SER 55 3.063 12.437 2.447 417 HB2 SER 55 2HB SER 55 2.568 9.675 2.921 418 HB3 SER 55 3HB SER 55 3.021 10.456 1.406 419 HG SER 55 HG SER 55 4.439 8.729 2.628 420 H VAL 56 H VAL 56 3.505 12.933 5.334 421 HA VAL 56 HA VAL 56 1.528 11.528 6.820 422 HB VAL 56 HB VAL 56 2.611 14.262 7.482 423 HG11 VAL 56 1HG1 VAL 56 1.306 14.005 9.266 424 HG12 VAL 56 2HG1 VAL 56 0.921 12.341 8.820 425 HG13 VAL 56 3HG1 VAL 56 2.368 12.689 9.768 426 HG21 VAL 56 1HG2 VAL 56 4.623 13.230 7.293 427 HG22 VAL 56 2HG2 VAL 56 4.202 12.655 8.906 428 HG23 VAL 56 3HG2 VAL 56 3.942 11.617 7.504 429 H ASP 57 H ASP 57 1.375 14.064 4.553 430 HA ASP 57 HA ASP 57 -0.986 15.340 5.552 431 HB2 ASP 57 2HB ASP 57 -0.964 16.614 3.528 432 HB3 ASP 57 3HB ASP 57 0.712 16.422 4.035 433 H SER 58 H SER 58 -0.486 12.356 4.228 434 HA SER 58 HA SER 58 -2.551 12.035 2.376 435 HB2 SER 58 2HB SER 58 -0.863 10.324 2.646 436 HB3 SER 58 3HB SER 58 -1.355 10.044 4.316 437 HG SER 58 HG SER 58 -2.232 8.491 2.873 438 H MET 59 H MET 59 -2.653 12.439 5.785 439 HA MET 59 HA MET 59 -5.555 12.289 5.726 440 HB2 MET 59 2HB MET 59 -5.594 10.897 7.808 441 HB3 MET 59 3HB MET 59 -5.049 10.040 6.372 442 HG2 MET 59 2HG MET 59 -2.883 11.266 7.889 443 HG3 MET 59 3HG MET 59 -3.792 10.060 8.796 444 HE1 MET 59 1HE MET 59 -0.599 8.334 7.927 445 HE2 MET 59 2HE MET 59 -1.617 9.163 9.105 446 HE3 MET 59 3HE MET 59 -1.999 7.511 8.616 447 H ALA 60 H ALA 60 -4.797 14.631 5.864 448 HA ALA 60 HA ALA 60 -4.984 15.444 8.649 449 HB1 ALA 60 1HB ALA 60 -2.528 15.259 8.029 450 HB2 ALA 60 2HB ALA 60 -2.803 16.633 6.958 451 HB3 ALA 60 3HB ALA 60 -3.063 16.802 8.694 452 H ALA 61 H ALA 61 -7.113 15.910 7.583 453 HA ALA 61 HA ALA 61 -7.160 18.701 6.793 454 HB1 ALA 61 1HB ALA 61 -7.024 17.029 4.737 455 HB2 ALA 61 2HB ALA 61 -8.761 16.936 5.026 456 HB3 ALA 61 3HB ALA 61 -8.005 18.494 4.691 457 H THR 62 H THR 62 -9.247 19.666 6.984 458 HA THR 62 HA THR 62 -11.327 18.026 8.236 459 HB THR 62 HB THR 62 -11.625 20.159 9.794 460 HG1 THR 62 HG1 THR 62 -9.914 21.395 9.258 461 HG21 THR 62 1HG2 THR 62 -11.373 18.437 11.196 462 HG22 THR 62 2HG2 THR 62 -9.643 18.779 11.177 463 HG23 THR 62 3HG2 THR 62 -10.319 17.588 10.066 464 H THR 63 H THR 63 -13.431 19.069 8.285 465 HA THR 63 HA THR 63 -13.839 20.696 5.914 466 HB THR 63 HB THR 63 -16.314 20.319 7.183 467 HG1 THR 63 HG1 THR 63 -16.295 18.313 7.971 468 HG21 THR 63 1HG2 THR 63 -15.894 20.236 4.775 469 HG22 THR 63 2HG2 THR 63 -16.736 18.784 5.315 470 HG23 THR 63 3HG2 THR 63 -15.007 18.726 4.974 471 H LYS 64 H LYS 64 -15.369 22.537 5.999 472 HA LYS 64 HA LYS 64 -14.505 24.484 7.843 473 HB2 LYS 64 2HB LYS 64 -16.328 25.881 6.870 474 HB3 LYS 64 3HB LYS 64 -15.271 25.157 5.665 475 HG2 LYS 64 2HG LYS 64 -17.610 23.531 6.307 476 HG3 LYS 64 3HG LYS 64 -17.998 25.109 5.618 477 HD2 LYS 64 2HD LYS 64 -17.411 24.409 3.590 478 HD3 LYS 64 3HD LYS 64 -15.813 23.941 4.177 479 HE2 LYS 64 2HE LYS 64 -16.557 21.902 3.488 480 HE3 LYS 64 3HE LYS 64 -17.183 21.884 5.136 481 HZ1 LYS 64 1HZ LYS 64 -19.211 21.657 4.319 482 HZ2 LYS 64 2HZ LYS 64 -18.613 21.692 2.737 483 HZ3 LYS 64 3HZ LYS 64 -19.075 23.130 3.499 484 H ASP 65 H ASP 65 -17.008 22.131 7.978 485 HA ASP 65 HA ASP 65 -18.621 23.463 9.939 486 HB2 ASP 65 2HB ASP 65 -18.866 21.171 8.310 487 HB3 ASP 65 3HB ASP 65 -18.965 20.607 9.976 488 H GLY 66 H GLY 66 -15.772 21.527 9.996 489 HA2 GLY 66 2HA GLY 66 -14.730 21.977 12.351 490 HA3 GLY 66 3HA GLY 66 -16.076 20.967 12.859 491 H THR 67 H THR 67 -16.055 18.764 12.408 492 HA THR 67 HA THR 67 -13.419 17.639 12.097 493 HB THR 67 HB THR 67 -14.979 16.676 13.729 494 HG1 THR 67 HG1 THR 67 -13.399 15.305 12.769 495 HG21 THR 67 1HG2 THR 67 -16.942 15.458 13.059 496 HG22 THR 67 2HG2 THR 67 -16.590 15.741 11.354 497 HG23 THR 67 3HG2 THR 67 -17.046 17.088 12.396 498 H GLY 68 H GLY 68 -12.549 16.798 10.306 499 HA2 GLY 68 2HA GLY 68 -14.299 15.965 8.109 500 HA3 GLY 68 3HA GLY 68 -13.110 17.216 7.779 501 H ILE 69 H ILE 69 -12.948 14.207 9.676 502 HA ILE 69 HA ILE 69 -10.372 13.588 8.541 503 HB ILE 69 HB ILE 69 -12.110 11.978 10.415 504 HG12 ILE 69 2HG1 ILE 69 -11.347 14.145 11.335 505 HG13 ILE 69 3HG1 ILE 69 -10.619 12.776 12.169 506 HG21 ILE 69 1HG2 ILE 69 -9.793 10.921 10.902 507 HG22 ILE 69 2HG2 ILE 69 -10.702 10.395 9.486 508 HG23 ILE 69 3HG2 ILE 69 -9.370 11.536 9.304 509 HD11 ILE 69 1HD1 ILE 69 -8.914 13.527 10.027 510 HD12 ILE 69 2HD1 ILE 69 -9.340 14.971 10.946 511 HD13 ILE 69 3HD1 ILE 69 -8.610 13.590 11.763 512 H ASN 70 H ASN 70 -9.878 12.065 7.044 513 HA ASN 70 HA ASN 70 -12.031 11.084 5.396 514 HB2 ASN 70 2HB ASN 70 -9.160 10.302 5.018 515 HB3 ASN 70 3HB ASN 70 -10.405 10.577 3.803 516 HD21 ASN 70 1HD2 ASN 70 -8.222 12.118 6.061 517 HD22 ASN 70 2HD2 ASN 70 -8.209 13.663 5.289 518 HA PRO 71 HA PRO 71 -12.254 7.281 7.753 519 HB2 PRO 71 2HB PRO 71 -14.370 6.272 6.384 520 HB3 PRO 71 3HB PRO 71 -14.538 7.507 7.637 521 HG2 PRO 71 2HG PRO 71 -14.488 7.823 4.661 522 HG3 PRO 71 3HG PRO 71 -15.546 8.603 5.851 523 HD2 PRO 71 2HD PRO 71 -13.399 9.851 4.773 524 HD3 PRO 71 3HD PRO 71 -13.955 10.167 6.429 525 H ALA 72 H ALA 72 -12.691 7.259 4.209 526 HA ALA 72 HA ALA 72 -11.072 4.799 4.111 527 HB1 ALA 72 1HB ALA 72 -13.585 5.070 3.192 528 HB2 ALA 72 2HB ALA 72 -12.680 5.533 1.750 529 HB3 ALA 72 3HB ALA 72 -12.405 3.959 2.496 530 H GLN 73 H GLN 73 -11.375 8.068 3.015 531 HA GLN 73 HA GLN 73 -9.958 9.440 1.881 532 HB2 GLN 73 2HB GLN 73 -7.864 7.295 1.830 533 HB3 GLN 73 3HB GLN 73 -7.663 9.036 1.972 534 HG2 GLN 73 2HG GLN 73 -9.056 8.481 4.233 535 HG3 GLN 73 3HG GLN 73 -8.102 7.011 4.040 536 HE21 GLN 73 1HE2 GLN 73 -5.808 8.029 2.916 537 HE22 GLN 73 2HE2 GLN 73 -5.010 9.047 4.061 538 H THR 74 H THR 74 -11.499 7.046 0.623 539 HA THR 74 HA THR 74 -10.087 6.580 -1.842 540 HB THR 74 HB THR 74 -13.009 6.006 -1.440 541 HG1 THR 74 HG1 THR 74 -10.819 4.443 -0.491 542 HG21 THR 74 1HG2 THR 74 -12.528 5.314 -3.557 543 HG22 THR 74 2HG2 THR 74 -12.004 3.869 -2.692 544 HG23 THR 74 3HG2 THR 74 -10.818 5.068 -3.205 545 H ALA 75 H ALA 75 -11.032 7.082 -3.961 546 HA ALA 75 HA ALA 75 -11.546 9.832 -4.255 547 HB1 ALA 75 1HB ALA 75 -10.539 8.814 -6.091 548 HB2 ALA 75 2HB ALA 75 -11.710 7.496 -6.125 549 HB3 ALA 75 3HB ALA 75 -12.188 9.114 -6.639 550 H GLY 76 H GLY 76 -13.712 7.022 -4.623 551 HA2 GLY 76 2HA GLY 76 -16.033 8.555 -5.160 552 HA3 GLY 76 3HA GLY 76 -16.004 6.875 -4.646 553 H ASN 77 H ASN 77 -14.630 7.320 -2.171 554 HA ASN 77 HA ASN 77 -16.866 7.969 -0.534 555 HB2 ASN 77 2HB ASN 77 -13.993 7.276 0.022 556 HB3 ASN 77 3HB ASN 77 -15.065 7.787 1.322 557 HD21 ASN 77 1HD2 ASN 77 -17.383 6.620 0.846 558 HD22 ASN 77 2HD2 ASN 77 -17.234 4.899 0.803 559 H VAL 78 H VAL 78 -13.658 9.497 -0.865 560 HA VAL 78 HA VAL 78 -14.188 11.730 0.730 561 HB VAL 78 HB VAL 78 -12.300 11.498 -1.616 562 HG11 VAL 78 1HG1 VAL 78 -11.157 13.346 -0.068 563 HG12 VAL 78 2HG1 VAL 78 -12.288 13.754 -1.360 564 HG13 VAL 78 3HG1 VAL 78 -12.846 13.678 0.312 565 HG21 VAL 78 1HG2 VAL 78 -11.106 11.541 1.011 566 HG22 VAL 78 2HG2 VAL 78 -12.259 10.214 0.858 567 HG23 VAL 78 3HG2 VAL 78 -10.925 10.359 -0.286 568 H PHE 79 H PHE 79 -14.788 11.138 -2.686 569 HA PHE 79 HA PHE 79 -15.357 13.710 -3.549 570 HB2 PHE 79 2HB PHE 79 -15.214 11.923 -5.143 571 HB3 PHE 79 3HB PHE 79 -16.551 11.064 -4.384 572 HD1 PHE 79 HD1 PHE 79 -18.556 11.143 -5.478 573 HD2 PHE 79 HD2 PHE 79 -15.888 14.439 -5.841 574 HE1 PHE 79 HE1 PHE 79 -20.136 12.249 -7.006 575 HE2 PHE 79 HE2 PHE 79 -17.463 15.551 -7.369 576 HZ PHE 79 HZ PHE 79 -19.591 14.457 -7.953 577 H MET 80 H MET 80 -17.442 11.383 -1.899 578 HA MET 80 HA MET 80 -19.649 13.291 -1.889 579 HB2 MET 80 2HB MET 80 -19.918 10.786 -2.337 580 HB3 MET 80 3HB MET 80 -19.637 10.560 -0.616 581 HG2 MET 80 2HG MET 80 -21.559 12.331 -0.395 582 HG3 MET 80 3HG MET 80 -21.960 11.773 -2.017 583 HE1 MET 80 1HE MET 80 -23.906 10.922 1.169 584 HE2 MET 80 2HE MET 80 -22.623 10.018 1.972 585 HE3 MET 80 3HE MET 80 -22.318 11.656 1.392 586 H LYS 81 H LYS 81 -17.063 12.295 0.089 587 HA LYS 81 HA LYS 81 -18.186 12.731 2.647 588 HB2 LYS 81 2HB LYS 81 -15.862 11.688 1.814 589 HB3 LYS 81 3HB LYS 81 -15.304 13.309 2.209 590 HG2 LYS 81 2HG LYS 81 -14.962 11.935 4.117 591 HG3 LYS 81 3HG LYS 81 -16.306 13.021 4.476 592 HD2 LYS 81 2HD LYS 81 -16.823 10.783 5.246 593 HD3 LYS 81 3HD LYS 81 -17.884 11.216 3.904 594 HE2 LYS 81 2HE LYS 81 -16.618 9.885 2.381 595 HE3 LYS 81 3HE LYS 81 -15.348 9.623 3.576 596 HZ1 LYS 81 1HZ LYS 81 -16.531 7.679 3.708 597 HZ2 LYS 81 2HZ LYS 81 -18.024 8.418 3.417 598 HZ3 LYS 81 3HZ LYS 81 -17.282 8.578 4.928 599 H TYR 82 H TYR 82 -16.036 14.811 0.701 600 HA TYR 82 HA TYR 82 -17.183 17.132 2.110 601 HB2 TYR 82 2HB TYR 82 -14.444 17.196 0.889 602 HB3 TYR 82 3HB TYR 82 -15.105 18.185 2.187 603 HD1 TYR 82 HD1 TYR 82 -13.050 15.414 1.408 604 HD2 TYR 82 HD2 TYR 82 -15.668 16.926 4.402 605 HE1 TYR 82 HE1 TYR 82 -12.007 13.924 3.064 606 HE2 TYR 82 HE2 TYR 82 -14.630 15.442 6.066 607 HH TYR 82 HH TYR 82 -11.863 14.160 5.917 608 H GLY 83 H GLY 83 -16.256 15.706 -0.922 609 HA2 GLY 83 2HA GLY 83 -16.560 16.367 -3.103 610 HA3 GLY 83 3HA GLY 83 -18.010 17.149 -2.490 611 H GLN 84 H GLN 84 -14.505 17.628 -2.815 612 HA GLN 84 HA GLN 84 -13.249 19.509 -3.099 613 HB2 GLN 84 2HB GLN 84 -15.732 20.193 -4.665 614 HB3 GLN 84 3HB GLN 84 -14.313 21.231 -4.647 615 HG2 GLN 84 2HG GLN 84 -13.663 20.055 -6.422 616 HG3 GLN 84 3HG GLN 84 -13.222 18.811 -5.254 617 HE21 GLN 84 1HE2 GLN 84 -15.018 17.288 -4.679 618 HE22 GLN 84 2HE2 GLN 84 -16.040 16.756 -5.966 619 H GLU 85 H GLU 85 -14.050 19.573 -0.628 620 HA GLU 85 HA GLU 85 -14.341 22.358 -0.045 621 HB2 GLU 85 2HB GLU 85 -16.728 21.309 -0.448 622 HB3 GLU 85 3HB GLU 85 -16.501 20.700 1.186 623 HG2 GLU 85 2HG GLU 85 -17.695 22.730 1.359 624 HG3 GLU 85 3HG GLU 85 -16.051 23.053 1.906 625 H ILE 86 H ILE 86 -12.216 21.164 0.649 626 HA ILE 86 HA ILE 86 -12.465 20.717 3.526 627 HB ILE 86 HB ILE 86 -12.435 18.473 2.476 628 HG12 ILE 86 2HG1 ILE 86 -9.777 18.602 3.765 629 HG13 ILE 86 3HG1 ILE 86 -11.097 19.324 4.678 630 HG21 ILE 86 1HG2 ILE 86 -9.639 19.153 1.588 631 HG22 ILE 86 2HG2 ILE 86 -10.535 17.667 1.281 632 HG23 ILE 86 3HG2 ILE 86 -11.041 19.174 0.518 633 HD11 ILE 86 1HD1 ILE 86 -10.995 17.123 5.424 634 HD12 ILE 86 2HD1 ILE 86 -12.331 17.127 4.272 635 HD13 ILE 86 3HD1 ILE 86 -10.759 16.484 3.798 636 H ARG 87 H ARG 87 -10.621 21.247 4.719 637 HA ARG 87 HA ARG 87 -8.567 22.717 3.202 638 HB2 ARG 87 2HB ARG 87 -9.540 23.191 6.026 639 HB3 ARG 87 3HB ARG 87 -8.266 24.098 5.222 640 HG2 ARG 87 2HG ARG 87 -11.120 23.962 4.273 641 HG3 ARG 87 3HG ARG 87 -10.449 25.260 5.263 642 HD2 ARG 87 2HD ARG 87 -8.642 25.218 3.276 643 HD3 ARG 87 3HD ARG 87 -10.063 24.656 2.397 644 HE ARG 87 HE ARG 87 -10.576 26.992 3.973 645 HH11 ARG 87 1HH1 ARG 87 -9.325 25.836 0.936 646 HH12 ARG 87 2HH1 ARG 87 -9.644 27.315 0.093 647 HH21 ARG 87 1HH2 ARG 87 -11.002 28.944 2.873 648 HH22 ARG 87 2HH2 ARG 87 -10.598 29.083 1.195 649 H LEU 88 H LEU 88 -6.415 22.433 3.713 650 HA LEU 88 HA LEU 88 -5.796 19.966 5.120 651 HB2 LEU 88 2HB LEU 88 -4.405 21.734 3.193 652 HB3 LEU 88 3HB LEU 88 -3.399 20.815 4.311 653 HG LEU 88 HG LEU 88 -5.392 19.644 2.371 654 HD11 LEU 88 1HD1 LEU 88 -3.028 20.706 1.688 655 HD12 LEU 88 2HD1 LEU 88 -3.718 19.288 0.899 656 HD13 LEU 88 3HD1 LEU 88 -2.501 19.091 2.160 657 HD21 LEU 88 1HD2 LEU 88 -3.578 18.439 4.434 658 HD22 LEU 88 2HD2 LEU 88 -4.114 17.523 3.026 659 HD23 LEU 88 3HD2 LEU 88 -5.299 18.156 4.170 660 H ILE 89 H ILE 89 -5.047 19.875 7.132 661 HA ILE 89 HA ILE 89 -3.641 22.184 8.256 662 HB ILE 89 HB ILE 89 -4.925 21.817 10.420 663 HG12 ILE 89 2HG1 ILE 89 -7.233 20.840 8.851 664 HG13 ILE 89 3HG1 ILE 89 -5.969 19.654 9.158 665 HG21 ILE 89 1HG2 ILE 89 -6.036 23.669 9.873 666 HG22 ILE 89 2HG2 ILE 89 -5.392 23.462 8.246 667 HG23 ILE 89 3HG2 ILE 89 -6.986 22.826 8.650 668 HD11 ILE 89 1HD1 ILE 89 -7.339 21.281 11.285 669 HD12 ILE 89 2HD1 ILE 89 -7.770 19.630 10.837 670 HD13 ILE 89 3HD1 ILE 89 -6.184 19.970 11.528 671 HA PRO 90 HA PRO 90 -0.942 19.195 10.005 672 HB2 PRO 90 2HB PRO 90 -0.164 20.452 12.282 673 HB3 PRO 90 3HB PRO 90 0.377 20.952 10.675 674 HG2 PRO 90 2HG PRO 90 -1.795 22.101 12.385 675 HG3 PRO 90 3HG PRO 90 -0.565 22.942 11.424 676 HD2 PRO 90 2HD PRO 90 -3.115 22.624 10.570 677 HD3 PRO 90 3HD PRO 90 -1.733 22.665 9.456 678 H ARG 91 H ARG 91 -2.859 17.755 10.373 679 HA ARG 91 HA ARG 91 -3.410 17.472 13.254 680 HB2 ARG 91 2HB ARG 91 -5.381 18.065 11.791 681 HB3 ARG 91 3HB ARG 91 -5.179 16.503 11.009 682 HG2 ARG 91 2HG ARG 91 -5.998 15.351 12.781 683 HG3 ARG 91 3HG ARG 91 -5.390 16.515 13.960 684 HD2 ARG 91 2HD ARG 91 -7.165 18.034 13.489 685 HD3 ARG 91 3HD ARG 91 -7.681 17.088 12.093 686 HE ARG 91 HE ARG 91 -8.842 15.709 13.503 687 HH11 ARG 91 1HH1 ARG 91 -6.586 17.600 15.361 688 HH12 ARG 91 2HH1 ARG 91 -7.205 17.075 16.891 689 HH21 ARG 91 1HH2 ARG 91 -9.665 15.009 15.511 690 HH22 ARG 91 2HH2 ARG 91 -8.956 15.600 16.976 691 H ASP 92 H ASP 92 -3.770 15.249 13.994 692 HA ASP 92 HA ASP 92 -3.124 13.082 14.247 693 HB2 ASP 92 2HB ASP 92 -4.124 13.210 11.715 694 HB3 ASP 92 3HB ASP 92 -2.495 12.617 11.404 695 H ARG 93 H ARG 93 -1.166 15.285 14.210 696 HA ARG 93 HA ARG 93 1.222 13.629 14.031 697 HB2 ARG 93 2HB ARG 93 0.931 14.838 11.828 698 HB3 ARG 93 3HB ARG 93 1.150 16.343 12.713 699 HG2 ARG 93 2HG ARG 93 3.367 16.075 12.868 700 HG3 ARG 93 3HG ARG 93 3.238 14.344 13.185 701 HD2 ARG 93 2HD ARG 93 3.477 13.802 11.014 702 HD3 ARG 93 3HD ARG 93 2.495 15.160 10.465 703 HE ARG 93 HE ARG 93 4.424 16.304 10.077 704 HH11 ARG 93 1HH1 ARG 93 5.078 13.804 12.410 705 HH12 ARG 93 2HH1 ARG 93 6.779 14.127 12.474 706 HH21 ARG 93 1HH2 ARG 93 6.662 16.739 10.152 707 HH22 ARG 93 2HH2 ARG 93 7.679 15.797 11.189 708 H VAL 94 H VAL 94 0.392 17.074 14.468 709 HA VAL 94 HA VAL 94 2.317 17.511 16.487 710 HB VAL 94 HB VAL 94 -0.199 19.101 15.971 711 HG11 VAL 94 1HG1 VAL 94 0.468 20.467 17.589 712 HG12 VAL 94 2HG1 VAL 94 1.755 19.326 17.983 713 HG13 VAL 94 3HG1 VAL 94 2.056 20.635 16.840 714 HG21 VAL 94 1HG2 VAL 94 1.102 18.884 13.934 715 HG22 VAL 94 2HG2 VAL 94 1.230 20.526 14.563 716 HG23 VAL 94 3HG2 VAL 94 2.561 19.391 14.786 717 H GLY 95 H GLY 95 -1.243 17.471 16.801 718 HA2 GLY 95 2HA GLY 95 -2.402 16.183 18.442 719 HA3 GLY 95 3HA GLY 95 -0.925 16.124 19.393 Start of MODEL 11 1 H1 MET 1 H MET 1 7.150 7.812 0.774 2 HA MET 1 HA MET 1 8.834 9.962 1.703 3 HB2 MET 1 2HB MET 1 9.827 7.257 1.627 4 HB3 MET 1 3HB MET 1 10.695 8.251 0.466 5 HG2 MET 1 2HG MET 1 10.671 9.872 2.644 6 HG3 MET 1 3HG MET 1 10.752 8.278 3.391 7 HE1 MET 1 1HE MET 1 12.418 11.092 1.730 8 HE2 MET 1 2HE MET 1 13.994 10.528 1.175 9 HE3 MET 1 3HE MET 1 12.548 10.179 0.226 10 H SER 2 H SER 2 8.739 7.552 -0.931 11 HA SER 2 HA SER 2 7.855 9.412 -2.875 12 HB2 SER 2 2HB SER 2 9.861 9.695 -4.190 13 HB3 SER 2 3HB SER 2 10.205 10.221 -2.542 14 HG SER 2 HG SER 2 11.296 8.311 -2.180 15 H GLN 3 H GLN 3 6.936 8.306 -4.484 16 HA GLN 3 HA GLN 3 8.002 5.766 -5.368 17 HB2 GLN 3 2HB GLN 3 6.590 5.147 -3.432 18 HB3 GLN 3 3HB GLN 3 5.215 5.921 -4.207 19 HG2 GLN 3 2HG GLN 3 4.753 4.055 -5.289 20 HG3 GLN 3 3HG GLN 3 6.344 4.082 -6.048 21 HE21 GLN 3 1HE2 GLN 3 4.322 2.556 -3.792 22 HE22 GLN 3 2HE2 GLN 3 5.466 1.418 -3.176 23 H ASN 4 H ASN 4 7.510 5.339 -7.462 24 HA ASN 4 HA ASN 4 5.757 7.277 -8.812 25 HB2 ASN 4 2HB ASN 4 8.357 6.117 -9.468 26 HB3 ASN 4 3HB ASN 4 7.205 5.996 -10.795 27 HD21 ASN 4 1HD2 ASN 4 6.524 7.828 -11.831 28 HD22 ASN 4 2HD2 ASN 4 7.233 9.381 -11.567 29 H GLU 5 H GLU 5 4.028 6.607 -9.953 30 HA GLU 5 HA GLU 5 3.722 4.033 -11.071 31 HB2 GLU 5 2HB GLU 5 3.202 4.131 -8.309 32 HB3 GLU 5 3HB GLU 5 1.627 4.090 -9.090 33 HG2 GLU 5 2HG GLU 5 3.076 2.174 -10.448 34 HG3 GLU 5 3HG GLU 5 3.604 1.996 -8.776 35 H GLU 6 H GLU 6 1.443 3.673 -11.852 36 HA GLU 6 HA GLU 6 -0.003 6.209 -12.201 37 HB2 GLU 6 2HB GLU 6 -0.454 5.451 -14.584 38 HB3 GLU 6 3HB GLU 6 1.175 6.015 -14.239 39 HG2 GLU 6 2HG GLU 6 2.091 4.032 -14.696 40 HG3 GLU 6 3HG GLU 6 0.814 3.140 -13.870 41 H ALA 7 H ALA 7 -1.992 5.978 -11.448 42 HA ALA 7 HA ALA 7 -3.166 3.378 -11.059 43 HB1 ALA 7 1HB ALA 7 -5.077 5.428 -10.620 44 HB2 ALA 7 2HB ALA 7 -4.215 4.453 -9.428 45 HB3 ALA 7 3HB ALA 7 -3.528 5.980 -9.982 46 HA PRO 8 HA PRO 8 -5.659 3.034 -14.653 47 HB2 PRO 8 2HB PRO 8 -7.972 2.015 -13.664 48 HB3 PRO 8 3HB PRO 8 -6.480 1.074 -13.779 49 HG2 PRO 8 2HG PRO 8 -7.660 2.472 -11.409 50 HG3 PRO 8 3HG PRO 8 -6.917 0.865 -11.505 51 HD2 PRO 8 2HD PRO 8 -5.593 3.027 -10.555 52 HD3 PRO 8 3HD PRO 8 -4.775 1.712 -11.422 53 H ALA 9 H ALA 9 -6.035 5.112 -15.380 54 HA ALA 9 HA ALA 9 -8.478 6.420 -14.374 55 HB1 ALA 9 1HB ALA 9 -6.108 7.752 -15.677 56 HB2 ALA 9 2HB ALA 9 -7.528 8.550 -15.001 57 HB3 ALA 9 3HB ALA 9 -6.408 7.695 -13.940 58 H ARG 10 H ARG 10 -8.195 4.365 -16.488 59 HA ARG 10 HA ARG 10 -8.955 5.905 -18.868 60 HB2 ARG 10 2HB ARG 10 -7.159 4.179 -19.074 61 HB3 ARG 10 3HB ARG 10 -8.348 2.952 -18.653 62 HG2 ARG 10 2HG ARG 10 -9.257 2.948 -20.701 63 HG3 ARG 10 3HG ARG 10 -9.123 4.699 -20.877 64 HD2 ARG 10 2HD ARG 10 -6.893 4.567 -21.592 65 HD3 ARG 10 3HD ARG 10 -6.714 2.914 -21.005 66 HE ARG 10 HE ARG 10 -7.782 3.747 -23.537 67 HH11 ARG 10 1HH1 ARG 10 -7.767 1.230 -21.132 68 HH12 ARG 10 2HH1 ARG 10 -8.228 -0.016 -22.245 69 HH21 ARG 10 1HH2 ARG 10 -8.389 2.116 -25.012 70 HH22 ARG 10 2HH2 ARG 10 -8.580 0.490 -24.451 71 H SER 11 H SER 11 -9.992 3.018 -17.051 72 HA SER 11 HA SER 11 -12.708 3.419 -18.101 73 HB2 SER 11 2HB SER 11 -11.093 1.069 -17.595 74 HB3 SER 11 3HB SER 11 -12.629 0.973 -16.733 75 HG SER 11 HG SER 11 -12.136 1.131 -19.491 76 H GLY 12 H GLY 12 -14.510 3.295 -16.687 77 HA2 GLY 12 2HA GLY 12 -15.410 3.063 -14.451 78 HA3 GLY 12 3HA GLY 12 -13.870 3.636 -13.828 79 H GLY 13 H GLY 13 -13.553 5.786 -13.527 80 HA2 GLY 13 2HA GLY 13 -15.311 7.725 -14.777 81 HA3 GLY 13 3HA GLY 13 -15.524 7.546 -13.042 82 H LYS 14 H LYS 14 -14.918 9.946 -13.457 83 HA LYS 14 HA LYS 14 -12.096 10.196 -12.757 84 HB2 LYS 14 2HB LYS 14 -13.269 11.103 -15.263 85 HB3 LYS 14 3HB LYS 14 -12.521 12.419 -14.368 86 HG2 LYS 14 2HG LYS 14 -10.412 11.479 -14.490 87 HG3 LYS 14 3HG LYS 14 -11.042 9.857 -14.787 88 HD2 LYS 14 2HD LYS 14 -10.725 10.198 -16.962 89 HD3 LYS 14 3HD LYS 14 -11.978 11.440 -16.903 90 HE2 LYS 14 2HE LYS 14 -9.188 12.117 -16.081 91 HE3 LYS 14 3HE LYS 14 -9.585 12.008 -17.796 92 HZ1 LYS 14 1HZ LYS 14 -10.063 14.133 -16.047 93 HZ2 LYS 14 2HZ LYS 14 -11.568 13.517 -16.514 94 HZ3 LYS 14 3HZ LYS 14 -10.460 14.023 -17.688 95 H VAL 15 H VAL 15 -11.644 11.886 -11.382 96 HA VAL 15 HA VAL 15 -13.673 13.880 -10.807 97 HB VAL 15 HB VAL 15 -14.370 12.045 -9.357 98 HG11 VAL 15 1HG1 VAL 15 -11.536 12.169 -8.344 99 HG12 VAL 15 2HG1 VAL 15 -12.844 11.338 -7.499 100 HG13 VAL 15 3HG1 VAL 15 -12.351 10.804 -9.106 101 HG21 VAL 15 1HG2 VAL 15 -13.061 14.345 -7.912 102 HG22 VAL 15 2HG2 VAL 15 -14.716 14.271 -8.518 103 HG23 VAL 15 3HG2 VAL 15 -14.220 13.236 -7.179 104 H THR 16 H THR 16 -12.843 15.740 -9.952 105 HA THR 16 HA THR 16 -9.920 15.818 -9.653 106 HB THR 16 HB THR 16 -10.827 17.285 -11.402 107 HG1 THR 16 HG1 THR 16 -9.184 18.460 -10.789 108 HG21 THR 16 1HG2 THR 16 -12.229 19.193 -10.834 109 HG22 THR 16 2HG2 THR 16 -12.273 18.680 -9.147 110 HG23 THR 16 3HG2 THR 16 -13.035 17.689 -10.391 111 H PHE 17 H PHE 17 -8.969 16.547 -7.819 112 HA PHE 17 HA PHE 17 -10.725 17.518 -5.666 113 HB2 PHE 17 2HB PHE 17 -9.500 15.046 -5.676 114 HB3 PHE 17 3HB PHE 17 -8.379 16.033 -4.743 115 HD1 PHE 17 HD1 PHE 17 -8.662 15.876 -2.482 116 HD2 PHE 17 HD2 PHE 17 -12.090 15.680 -4.998 117 HE1 PHE 17 HE1 PHE 17 -10.100 15.633 -0.500 118 HE2 PHE 17 HE2 PHE 17 -13.533 15.438 -3.020 119 HZ PHE 17 HZ PHE 17 -12.538 15.415 -0.767 120 H ARG 18 H ARG 18 -9.942 19.155 -4.405 121 HA ARG 18 HA ARG 18 -7.358 20.294 -5.240 122 HB2 ARG 18 2HB ARG 18 -9.960 21.516 -4.439 123 HB3 ARG 18 3HB ARG 18 -8.480 22.390 -4.067 124 HG2 ARG 18 2HG ARG 18 -8.922 23.272 -6.108 125 HG3 ARG 18 3HG ARG 18 -7.969 21.875 -6.611 126 HD2 ARG 18 2HD ARG 18 -9.730 20.871 -7.580 127 HD3 ARG 18 3HD ARG 18 -10.831 21.338 -6.285 128 HE ARG 18 HE ARG 18 -11.494 23.107 -7.562 129 HH11 ARG 18 1HH1 ARG 18 -8.408 21.990 -8.724 130 HH12 ARG 18 2HH1 ARG 18 -8.390 23.056 -10.089 131 HH21 ARG 18 1HH2 ARG 18 -11.481 24.516 -9.356 132 HH22 ARG 18 2HH2 ARG 18 -10.137 24.493 -10.447 133 H ILE 19 H ILE 19 -5.781 19.998 -3.823 134 HA ILE 19 HA ILE 19 -6.446 19.692 -0.981 135 HB ILE 19 HB ILE 19 -5.154 17.858 -1.842 136 HG12 ILE 19 2HG1 ILE 19 -3.374 19.695 -0.224 137 HG13 ILE 19 3HG1 ILE 19 -4.623 18.644 0.436 138 HG21 ILE 19 1HG2 ILE 19 -3.736 18.135 -3.524 139 HG22 ILE 19 2HG2 ILE 19 -3.883 19.886 -3.378 140 HG23 ILE 19 3HG2 ILE 19 -2.651 19.025 -2.456 141 HD11 ILE 19 1HD1 ILE 19 -1.931 18.045 0.022 142 HD12 ILE 19 2HD1 ILE 19 -3.218 16.940 0.505 143 HD13 ILE 19 3HD1 ILE 19 -2.816 17.134 -1.201 144 H ILE 20 H ILE 20 -6.212 21.409 0.274 145 HA ILE 20 HA ILE 20 -4.142 23.391 -0.420 146 HB ILE 20 HB ILE 20 -6.753 23.861 1.025 147 HG12 ILE 20 2HG1 ILE 20 -6.948 25.441 -1.090 148 HG13 ILE 20 3HG1 ILE 20 -5.830 24.274 -1.787 149 HG21 ILE 20 1HG2 ILE 20 -5.554 26.276 0.203 150 HG22 ILE 20 2HG2 ILE 20 -5.829 25.701 1.847 151 HG23 ILE 20 3HG2 ILE 20 -4.310 25.337 1.028 152 HD11 ILE 20 1HD1 ILE 20 -7.469 22.834 -2.148 153 HD12 ILE 20 2HD1 ILE 20 -8.008 22.936 -0.471 154 HD13 ILE 20 3HD1 ILE 20 -8.601 24.095 -1.660 155 H LEU 21 H LEU 21 -2.467 23.271 0.911 156 HA LEU 21 HA LEU 21 -2.868 22.336 3.657 157 HB2 LEU 21 2HB LEU 21 -0.895 21.861 1.725 158 HB3 LEU 21 3HB LEU 21 -0.123 22.850 2.962 159 HG LEU 21 HG LEU 21 0.315 20.595 3.522 160 HD11 LEU 21 1HD1 LEU 21 -0.386 22.085 5.380 161 HD12 LEU 21 2HD1 LEU 21 -0.689 20.375 5.688 162 HD13 LEU 21 3HD1 LEU 21 -2.020 21.437 5.230 163 HD21 LEU 21 1HD2 LEU 21 -1.808 19.112 3.973 164 HD22 LEU 21 2HD2 LEU 21 -1.113 19.235 2.357 165 HD23 LEU 21 3HD2 LEU 21 -2.540 20.184 2.779 166 H THR 22 H THR 22 -2.090 23.484 5.446 167 HA THR 22 HA THR 22 -2.072 26.367 5.074 168 HB THR 22 HB THR 22 -3.430 25.306 6.882 169 HG1 THR 22 HG1 THR 22 -2.777 27.493 7.065 170 HG21 THR 22 1HG2 THR 22 -1.455 23.672 7.402 171 HG22 THR 22 2HG2 THR 22 -2.499 24.236 8.708 172 HG23 THR 22 3HG2 THR 22 -0.915 24.972 8.463 173 H SER 23 H SER 23 0.206 23.934 5.173 174 HA SER 23 HA SER 23 2.268 25.623 6.393 175 HB2 SER 23 2HB SER 23 2.679 23.586 7.325 176 HB3 SER 23 3HB SER 23 1.919 22.710 5.997 177 HG SER 23 HG SER 23 4.065 22.286 5.831 178 H GLU 24 H GLU 24 1.066 24.649 3.368 179 HA GLU 24 HA GLU 24 3.592 25.249 2.006 180 HB2 GLU 24 2HB GLU 24 1.964 23.214 1.518 181 HB3 GLU 24 3HB GLU 24 1.141 24.410 0.526 182 HG2 GLU 24 2HG GLU 24 2.739 23.065 -0.752 183 HG3 GLU 24 3HG GLU 24 3.140 24.781 -0.766 184 H ARG 25 H ARG 25 2.852 27.508 3.011 185 HA ARG 25 HA ARG 25 0.880 28.997 1.654 186 HB2 ARG 25 2HB ARG 25 2.206 29.471 3.878 187 HB3 ARG 25 3HB ARG 25 3.309 30.315 2.799 188 HG2 ARG 25 2HG ARG 25 1.170 31.506 1.950 189 HG3 ARG 25 3HG ARG 25 0.469 30.945 3.469 190 HD2 ARG 25 2HD ARG 25 1.987 32.182 4.756 191 HD3 ARG 25 3HD ARG 25 3.083 32.415 3.394 192 HE ARG 25 HE ARG 25 0.812 34.020 4.076 193 HH11 ARG 25 1HH1 ARG 25 2.827 32.931 1.454 194 HH12 ARG 25 2HH1 ARG 25 2.481 34.298 0.448 195 HH21 ARG 25 1HH2 ARG 25 0.349 35.825 2.760 196 HH22 ARG 25 2HH2 ARG 25 1.072 35.944 1.192 197 H SER 26 H SER 26 3.948 27.929 0.679 198 HA SER 26 HA SER 26 4.840 29.987 -0.976 199 HB2 SER 26 2HB SER 26 5.582 27.318 -0.441 200 HB3 SER 26 3HB SER 26 5.375 27.428 -2.189 201 HG SER 26 HG SER 26 7.260 28.340 -2.177 202 H GLN 27 H GLN 27 2.376 27.553 -1.481 203 HA GLN 27 HA GLN 27 1.052 28.981 -3.482 204 HB2 GLN 27 2HB GLN 27 1.529 27.378 -5.404 205 HB3 GLN 27 3HB GLN 27 2.788 28.542 -5.016 206 HG2 GLN 27 2HG GLN 27 4.145 26.917 -4.020 207 HG3 GLN 27 3HG GLN 27 2.820 25.761 -3.904 208 HE21 GLN 27 1HE2 GLN 27 5.478 26.749 -5.682 209 HE22 GLN 27 2HE2 GLN 27 5.197 25.817 -7.110 210 HA PRO 28 HA PRO 28 -1.091 25.374 -1.438 211 HB2 PRO 28 2HB PRO 28 -3.080 26.856 -0.333 212 HB3 PRO 28 3HB PRO 28 -1.533 26.572 0.473 213 HG2 PRO 28 2HG PRO 28 -2.449 28.961 -1.081 214 HG3 PRO 28 3HG PRO 28 -1.558 28.897 0.451 215 HD2 PRO 28 2HD PRO 28 -0.343 29.375 -1.921 216 HD3 PRO 28 3HD PRO 28 0.460 28.513 -0.593 217 H PHE 29 H PHE 29 -1.547 24.823 -3.677 218 HA PHE 29 HA PHE 29 -4.284 24.902 -4.294 219 HB2 PHE 29 2HB PHE 29 -3.317 27.295 -4.920 220 HB3 PHE 29 3HB PHE 29 -2.811 26.448 -6.378 221 HD1 PHE 29 HD1 PHE 29 -5.104 28.633 -5.471 222 HD2 PHE 29 HD2 PHE 29 -4.987 24.632 -6.919 223 HE1 PHE 29 HE1 PHE 29 -7.363 28.909 -6.407 224 HE2 PHE 29 HE2 PHE 29 -7.244 24.903 -7.858 225 HZ PHE 29 HZ PHE 29 -8.435 27.043 -7.604 226 H ARG 30 H ARG 30 -2.918 22.740 -4.138 227 HA ARG 30 HA ARG 30 -1.797 22.009 -6.731 228 HB2 ARG 30 2HB ARG 30 -0.562 21.330 -4.736 229 HB3 ARG 30 3HB ARG 30 -1.971 20.465 -4.138 230 HG2 ARG 30 2HG ARG 30 -0.273 18.983 -5.127 231 HG3 ARG 30 3HG ARG 30 -1.832 18.886 -5.948 232 HD2 ARG 30 2HD ARG 30 0.149 18.955 -7.472 233 HD3 ARG 30 3HD ARG 30 -1.046 20.219 -7.760 234 HE ARG 30 HE ARG 30 0.550 21.767 -7.251 235 HH11 ARG 30 1HH1 ARG 30 1.524 18.691 -5.943 236 HH12 ARG 30 2HH1 ARG 30 3.078 19.256 -5.426 237 HH21 ARG 30 1HH2 ARG 30 2.593 22.522 -6.575 238 HH22 ARG 30 2HH2 ARG 30 3.685 21.436 -5.785 239 H VAL 31 H VAL 31 -2.955 21.021 -8.242 240 HA VAL 31 HA VAL 31 -5.598 19.979 -7.547 241 HB VAL 31 HB VAL 31 -5.521 21.553 -9.402 242 HG11 VAL 31 1HG1 VAL 31 -3.132 20.293 -10.044 243 HG12 VAL 31 2HG1 VAL 31 -4.229 19.852 -11.355 244 HG13 VAL 31 3HG1 VAL 31 -3.944 21.551 -10.974 245 HG21 VAL 31 1HG2 VAL 31 -7.045 19.468 -9.352 246 HG22 VAL 31 2HG2 VAL 31 -6.920 20.390 -10.850 247 HG23 VAL 31 3HG2 VAL 31 -6.023 18.883 -10.664 248 H ILE 32 H ILE 32 -6.014 17.873 -7.431 249 HA ILE 32 HA ILE 32 -4.061 15.999 -8.598 250 HB ILE 32 HB ILE 32 -4.926 14.385 -6.825 251 HG12 ILE 32 2HG1 ILE 32 -5.889 16.979 -5.599 252 HG13 ILE 32 3HG1 ILE 32 -6.922 15.687 -6.199 253 HG21 ILE 32 1HG2 ILE 32 -2.896 16.319 -6.783 254 HG22 ILE 32 2HG2 ILE 32 -3.614 16.327 -5.173 255 HG23 ILE 32 3HG2 ILE 32 -2.982 14.826 -5.848 256 HD11 ILE 32 1HD1 ILE 32 -6.173 14.206 -4.487 257 HD12 ILE 32 2HD1 ILE 32 -4.940 15.353 -3.965 258 HD13 ILE 32 3HD1 ILE 32 -6.647 15.729 -3.735 259 H SER 33 H SER 33 -4.803 14.731 -10.158 260 HA SER 33 HA SER 33 -7.706 14.481 -10.506 261 HB2 SER 33 2HB SER 33 -5.377 14.276 -12.398 262 HB3 SER 33 3HB SER 33 -6.944 13.587 -12.822 263 HG SER 33 HG SER 33 -7.852 15.605 -12.712 264 H ILE 34 H ILE 34 -8.674 12.635 -10.017 265 HA ILE 34 HA ILE 34 -7.245 10.109 -10.333 266 HB ILE 34 HB ILE 34 -8.697 10.737 -7.766 267 HG12 ILE 34 2HG1 ILE 34 -5.710 10.632 -8.231 268 HG13 ILE 34 3HG1 ILE 34 -6.637 12.114 -8.024 269 HG21 ILE 34 1HG2 ILE 34 -6.997 8.666 -7.281 270 HG22 ILE 34 2HG2 ILE 34 -8.703 8.497 -7.690 271 HG23 ILE 34 3HG2 ILE 34 -7.476 8.354 -8.949 272 HD11 ILE 34 1HD1 ILE 34 -5.491 10.439 -6.046 273 HD12 ILE 34 2HD1 ILE 34 -6.373 11.952 -5.840 274 HD13 ILE 34 3HD1 ILE 34 -7.242 10.418 -5.847 275 H ALA 35 H ALA 35 -8.603 8.286 -10.532 276 HA ALA 35 HA ALA 35 -11.054 8.760 -11.840 277 HB1 ALA 35 1HB ALA 35 -10.828 6.066 -10.810 278 HB2 ALA 35 2HB ALA 35 -10.825 6.641 -12.478 279 HB3 ALA 35 3HB ALA 35 -9.324 6.611 -11.553 280 H GLU 36 H GLU 36 -13.187 8.212 -11.218 281 HA GLU 36 HA GLU 36 -13.937 9.049 -8.655 282 HB2 GLU 36 2HB GLU 36 -15.286 8.799 -10.921 283 HB3 GLU 36 3HB GLU 36 -15.742 7.256 -10.213 284 HG2 GLU 36 2HG GLU 36 -17.018 8.207 -8.604 285 HG3 GLU 36 3HG GLU 36 -16.009 9.649 -8.499 286 H GLU 37 H GLU 37 -12.954 5.965 -9.831 287 HA GLU 37 HA GLU 37 -13.761 4.727 -7.281 288 HB2 GLU 37 2HB GLU 37 -14.093 3.849 -10.000 289 HB3 GLU 37 3HB GLU 37 -13.087 2.702 -9.127 290 HG2 GLU 37 2HG GLU 37 -15.489 3.593 -7.694 291 HG3 GLU 37 3HG GLU 37 -15.785 2.659 -9.159 292 H ALA 38 H ALA 38 -11.205 6.102 -8.638 293 HA ALA 38 HA ALA 38 -9.207 4.071 -8.123 294 HB1 ALA 38 1HB ALA 38 -9.102 6.908 -9.087 295 HB2 ALA 38 2HB ALA 38 -7.638 6.042 -8.619 296 HB3 ALA 38 3HB ALA 38 -8.644 5.429 -9.932 297 HA PRO 39 HA PRO 39 -8.350 5.063 -3.930 298 HB2 PRO 39 2HB PRO 39 -5.695 4.506 -3.816 299 HB3 PRO 39 3HB PRO 39 -6.936 3.252 -3.926 300 HG2 PRO 39 2HG PRO 39 -5.224 4.418 -6.087 301 HG3 PRO 39 3HG PRO 39 -5.658 2.724 -5.796 302 HD2 PRO 39 2HD PRO 39 -6.889 4.241 -7.670 303 HD3 PRO 39 3HD PRO 39 -7.728 2.953 -6.783 304 H LEU 40 H LEU 40 -7.608 6.715 -2.644 305 HA LEU 40 HA LEU 40 -6.922 9.158 -3.890 306 HB2 LEU 40 2HB LEU 40 -7.912 8.411 -1.449 307 HB3 LEU 40 3HB LEU 40 -6.284 8.950 -1.042 308 HG LEU 40 HG LEU 40 -8.491 10.556 -2.315 309 HD11 LEU 40 1HD1 LEU 40 -7.489 10.208 0.369 310 HD12 LEU 40 2HD1 LEU 40 -8.926 11.059 -0.196 311 HD13 LEU 40 3HD1 LEU 40 -7.371 11.890 -0.149 312 HD21 LEU 40 1HD2 LEU 40 -5.554 11.116 -2.077 313 HD22 LEU 40 2HD2 LEU 40 -6.740 12.421 -2.127 314 HD23 LEU 40 3HD2 LEU 40 -6.608 11.296 -3.480 315 H THR 41 H THR 41 -5.043 6.518 -2.791 316 HA THR 41 HA THR 41 -2.649 7.656 -2.027 317 HB THR 41 HB THR 41 -2.775 5.223 -3.803 318 HG1 THR 41 HG1 THR 41 -3.626 5.584 -1.139 319 HG21 THR 41 1HG2 THR 41 -1.040 4.778 -1.699 320 HG22 THR 41 2HG2 THR 41 -0.782 6.479 -2.090 321 HG23 THR 41 3HG2 THR 41 -0.585 5.247 -3.337 322 H ALA 42 H ALA 42 -4.011 7.336 -5.233 323 HA ALA 42 HA ALA 42 -1.723 7.808 -6.771 324 HB1 ALA 42 1HB ALA 42 -4.082 7.110 -7.513 325 HB2 ALA 42 2HB ALA 42 -4.425 8.840 -7.556 326 HB3 ALA 42 3HB ALA 42 -3.152 8.168 -8.575 327 H ALA 43 H ALA 43 -3.816 9.997 -5.016 328 HA ALA 43 HA ALA 43 -2.809 12.388 -6.218 329 HB1 ALA 43 1HB ALA 43 -4.844 11.687 -4.330 330 HB2 ALA 43 2HB ALA 43 -3.871 13.013 -3.693 331 HB3 ALA 43 3HB ALA 43 -4.653 13.170 -5.266 332 H LEU 44 H LEU 44 -1.842 10.357 -3.574 333 HA LEU 44 HA LEU 44 -0.387 12.022 -1.957 334 HB2 LEU 44 2HB LEU 44 -0.752 9.486 -1.824 335 HB3 LEU 44 3HB LEU 44 0.692 9.361 -2.826 336 HG LEU 44 HG LEU 44 1.122 11.037 -0.493 337 HD11 LEU 44 1HD1 LEU 44 -0.635 9.338 0.290 338 HD12 LEU 44 2HD1 LEU 44 0.848 9.495 1.230 339 HD13 LEU 44 3HD1 LEU 44 0.649 8.142 0.118 340 HD21 LEU 44 1HD2 LEU 44 3.070 10.357 -1.459 341 HD22 LEU 44 2HD2 LEU 44 2.420 8.789 -1.937 342 HD23 LEU 44 3HD2 LEU 44 2.889 9.076 -0.260 343 H ARG 45 H ARG 45 0.372 10.957 -5.186 344 HA ARG 45 HA ARG 45 3.085 11.401 -5.350 345 HB2 ARG 45 2HB ARG 45 0.827 11.500 -7.255 346 HB3 ARG 45 3HB ARG 45 2.284 12.344 -7.759 347 HG2 ARG 45 2HG ARG 45 3.096 9.841 -6.749 348 HG3 ARG 45 3HG ARG 45 1.716 9.554 -7.810 349 HD2 ARG 45 2HD ARG 45 4.166 11.155 -8.539 350 HD3 ARG 45 3HD ARG 45 3.879 9.477 -8.999 351 HE ARG 45 HE ARG 45 1.779 11.268 -9.799 352 HH11 ARG 45 1HH1 ARG 45 4.868 9.913 -10.660 353 HH12 ARG 45 2HH1 ARG 45 4.651 10.164 -12.360 354 HH21 ARG 45 1HH2 ARG 45 1.481 11.604 -12.035 355 HH22 ARG 45 2HH2 ARG 45 2.725 11.127 -13.141 356 H PHE 46 H PHE 46 0.554 13.800 -6.112 357 HA PHE 46 HA PHE 46 2.510 15.939 -6.004 358 HB2 PHE 46 2HB PHE 46 -0.336 15.693 -6.860 359 HB3 PHE 46 3HB PHE 46 0.249 17.283 -6.382 360 HD1 PHE 46 HD1 PHE 46 -0.432 15.466 -9.131 361 HD2 PHE 46 HD2 PHE 46 2.840 17.577 -7.411 362 HE1 PHE 46 HE1 PHE 46 0.544 15.772 -11.369 363 HE2 PHE 46 HE2 PHE 46 3.820 17.887 -9.646 364 HZ PHE 46 HZ PHE 46 2.671 16.984 -11.629 365 H ALA 47 H ALA 47 -0.217 14.744 -4.133 366 HA ALA 47 HA ALA 47 -0.544 16.870 -2.362 367 HB1 ALA 47 1HB ALA 47 -2.227 15.381 -2.077 368 HB2 ALA 47 2HB ALA 47 -1.181 13.982 -2.324 369 HB3 ALA 47 3HB ALA 47 -1.180 14.820 -0.772 370 H ALA 48 H ALA 48 1.858 14.333 -2.452 371 HA ALA 48 HA ALA 48 2.845 14.473 0.150 372 HB1 ALA 48 1HB ALA 48 4.076 13.725 -2.472 373 HB2 ALA 48 2HB ALA 48 5.056 13.785 -1.007 374 HB3 ALA 48 3HB ALA 48 3.668 12.701 -1.095 375 H GLU 49 H GLU 49 3.208 16.662 -2.519 376 HA GLU 49 HA GLU 49 5.457 18.066 -1.385 377 HB2 GLU 49 2HB GLU 49 3.654 19.085 -3.571 378 HB3 GLU 49 3HB GLU 49 5.338 19.491 -3.273 379 HG2 GLU 49 2HG GLU 49 5.692 16.924 -3.704 380 HG3 GLU 49 3HG GLU 49 4.165 17.091 -4.570 381 H GLU 50 H GLU 50 1.968 18.441 -1.499 382 HA GLU 50 HA GLU 50 1.808 21.078 -0.543 383 HB2 GLU 50 2HB GLU 50 -0.029 18.793 -0.835 384 HB3 GLU 50 3HB GLU 50 -0.468 19.935 0.426 385 HG2 GLU 50 2HG GLU 50 -0.031 20.552 -2.486 386 HG3 GLU 50 3HG GLU 50 -1.571 20.519 -1.629 387 H PHE 51 H PHE 51 1.839 17.969 1.157 388 HA PHE 51 HA PHE 51 1.850 19.338 3.733 389 HB2 PHE 51 2HB PHE 51 0.791 16.911 2.865 390 HB3 PHE 51 3HB PHE 51 2.179 16.453 3.847 391 HD1 PHE 51 HD1 PHE 51 -1.094 16.493 4.121 392 HD2 PHE 51 HD2 PHE 51 2.216 18.460 5.935 393 HE1 PHE 51 HE1 PHE 51 -2.426 16.848 6.158 394 HE2 PHE 51 HE2 PHE 51 0.889 18.817 7.976 395 HZ PHE 51 HZ PHE 51 -1.435 18.011 8.090 396 H GLY 52 H GLY 52 4.012 17.846 1.512 397 HA2 GLY 52 2HA GLY 52 6.298 17.626 1.533 398 HA3 GLY 52 3HA GLY 52 6.307 18.703 2.921 399 H ILE 53 H ILE 53 4.353 15.968 3.361 400 HA ILE 53 HA ILE 53 6.507 14.364 4.504 401 HB ILE 53 HB ILE 53 5.462 14.130 6.657 402 HG12 ILE 53 2HG1 ILE 53 3.349 16.027 5.612 403 HG13 ILE 53 3HG1 ILE 53 3.123 14.318 5.964 404 HG21 ILE 53 1HG2 ILE 53 5.503 17.083 6.105 405 HG22 ILE 53 2HG2 ILE 53 5.961 16.236 7.582 406 HG23 ILE 53 3HG2 ILE 53 6.971 16.107 6.142 407 HD11 ILE 53 1HD1 ILE 53 3.756 16.483 7.954 408 HD12 ILE 53 2HD1 ILE 53 2.209 15.664 7.738 409 HD13 ILE 53 3HD1 ILE 53 3.607 14.766 8.329 410 H ALA 54 H ALA 54 5.149 12.428 5.764 411 HA ALA 54 HA ALA 54 2.847 11.536 4.308 412 HB1 ALA 54 1HB ALA 54 4.020 10.692 2.583 413 HB2 ALA 54 2HB ALA 54 5.531 10.649 3.492 414 HB3 ALA 54 3HB ALA 54 4.339 9.367 3.703 415 H SER 55 H SER 55 2.148 11.493 6.527 416 HA SER 55 HA SER 55 2.244 8.927 7.680 417 HB2 SER 55 2HB SER 55 4.213 10.905 8.674 418 HB3 SER 55 3HB SER 55 3.312 10.026 9.909 419 HG SER 55 HG SER 55 4.061 8.104 9.054 420 H VAL 56 H VAL 56 2.245 12.087 9.307 421 HA VAL 56 HA VAL 56 -0.178 11.538 10.687 422 HB VAL 56 HB VAL 56 -0.074 13.902 11.406 423 HG11 VAL 56 1HG1 VAL 56 2.631 13.456 12.001 424 HG12 VAL 56 2HG1 VAL 56 1.227 13.039 12.986 425 HG13 VAL 56 3HG1 VAL 56 1.892 11.861 11.854 426 HG21 VAL 56 1HG2 VAL 56 2.508 14.182 9.919 427 HG22 VAL 56 2HG2 VAL 56 0.978 14.586 9.139 428 HG23 VAL 56 3HG2 VAL 56 1.472 15.435 10.604 429 H ASP 57 H ASP 57 0.528 12.813 7.585 430 HA ASP 57 HA ASP 57 -1.770 14.421 7.205 431 HB2 ASP 57 2HB ASP 57 -1.228 14.332 4.840 432 HB3 ASP 57 3HB ASP 57 0.251 14.543 5.774 433 H SER 58 H SER 58 -1.392 11.079 7.484 434 HA SER 58 HA SER 58 -3.306 10.090 5.696 435 HB2 SER 58 2HB SER 58 -2.242 9.081 8.326 436 HB3 SER 58 3HB SER 58 -3.493 8.200 7.450 437 HG SER 58 HG SER 58 -1.285 7.561 6.971 438 H MET 59 H MET 59 -3.646 11.811 8.668 439 HA MET 59 HA MET 59 -6.512 11.918 8.313 440 HB2 MET 59 2HB MET 59 -5.225 10.408 10.533 441 HB3 MET 59 3HB MET 59 -6.648 11.367 10.916 442 HG2 MET 59 2HG MET 59 -7.925 9.722 10.188 443 HG3 MET 59 3HG MET 59 -7.250 9.932 8.574 444 HE1 MET 59 1HE MET 59 -7.038 6.262 10.988 445 HE2 MET 59 2HE MET 59 -7.218 7.780 11.867 446 HE3 MET 59 3HE MET 59 -8.337 7.378 10.564 447 H ALA 60 H ALA 60 -5.476 14.093 7.870 448 HA ALA 60 HA ALA 60 -5.748 15.717 10.269 449 HB1 ALA 60 1HB ALA 60 -3.601 16.203 10.520 450 HB2 ALA 60 2HB ALA 60 -3.202 15.082 9.217 451 HB3 ALA 60 3HB ALA 60 -3.518 16.779 8.854 452 H ALA 61 H ALA 61 -7.725 16.191 9.052 453 HA ALA 61 HA ALA 61 -7.443 18.605 7.548 454 HB1 ALA 61 1HB ALA 61 -8.716 17.686 5.544 455 HB2 ALA 61 2HB ALA 61 -7.008 17.263 5.672 456 HB3 ALA 61 3HB ALA 61 -8.243 16.087 6.120 457 H THR 62 H THR 62 -9.458 19.668 7.178 458 HA THR 62 HA THR 62 -11.788 18.441 8.482 459 HB THR 62 HB THR 62 -12.190 20.978 9.236 460 HG1 THR 62 HG1 THR 62 -9.944 21.530 10.116 461 HG21 THR 62 1HG2 THR 62 -11.366 18.565 10.481 462 HG22 THR 62 2HG2 THR 62 -12.224 19.928 11.199 463 HG23 THR 62 3HG2 THR 62 -10.461 19.886 11.219 464 H THR 63 H THR 63 -13.833 19.407 7.889 465 HA THR 63 HA THR 63 -13.789 20.370 5.132 466 HB THR 63 HB THR 63 -15.238 18.436 5.730 467 HG1 THR 63 HG1 THR 63 -16.991 19.216 4.535 468 HG21 THR 63 1HG2 THR 63 -15.862 19.777 7.978 469 HG22 THR 63 2HG2 THR 63 -16.884 18.516 7.289 470 HG23 THR 63 3HG2 THR 63 -17.246 20.213 6.976 471 H LYS 64 H LYS 64 -15.378 22.050 4.499 472 HA LYS 64 HA LYS 64 -14.987 24.414 5.981 473 HB2 LYS 64 2HB LYS 64 -17.134 23.980 3.905 474 HB3 LYS 64 3HB LYS 64 -16.354 25.494 4.345 475 HG2 LYS 64 2HG LYS 64 -15.082 23.163 2.927 476 HG3 LYS 64 3HG LYS 64 -15.511 24.726 2.227 477 HD2 LYS 64 2HD LYS 64 -13.492 25.481 2.773 478 HD3 LYS 64 3HD LYS 64 -13.903 25.265 4.476 479 HE2 LYS 64 2HE LYS 64 -12.132 23.874 4.465 480 HE3 LYS 64 3HE LYS 64 -13.287 22.726 3.792 481 HZ1 LYS 64 1HZ LYS 64 -12.319 22.799 1.782 482 HZ2 LYS 64 2HZ LYS 64 -10.966 23.339 2.641 483 HZ3 LYS 64 3HZ LYS 64 -11.975 24.454 1.867 484 H ASP 65 H ASP 65 -17.479 21.998 6.039 485 HA ASP 65 HA ASP 65 -19.415 23.603 7.417 486 HB2 ASP 65 2HB ASP 65 -19.510 21.219 6.048 487 HB3 ASP 65 3HB ASP 65 -19.658 20.697 7.724 488 H GLY 66 H GLY 66 -16.670 21.730 8.324 489 HA2 GLY 66 2HA GLY 66 -16.269 22.625 10.818 490 HA3 GLY 66 3HA GLY 66 -17.518 21.418 11.084 491 H THR 67 H THR 67 -16.884 19.397 11.449 492 HA THR 67 HA THR 67 -14.072 18.760 11.330 493 HB THR 67 HB THR 67 -16.143 16.705 11.983 494 HG1 THR 67 HG1 THR 67 -16.365 17.592 14.053 495 HG21 THR 67 1HG2 THR 67 -14.459 15.678 13.087 496 HG22 THR 67 2HG2 THR 67 -13.802 17.193 13.705 497 HG23 THR 67 3HG2 THR 67 -13.437 16.680 12.058 498 H GLY 68 H GLY 68 -13.045 17.507 9.874 499 HA2 GLY 68 2HA GLY 68 -14.706 16.161 7.833 500 HA3 GLY 68 3HA GLY 68 -13.263 17.072 7.411 501 H ILE 69 H ILE 69 -14.454 14.202 9.063 502 HA ILE 69 HA ILE 69 -11.813 13.115 9.449 503 HB ILE 69 HB ILE 69 -13.720 12.621 10.985 504 HG12 ILE 69 2HG1 ILE 69 -13.190 10.207 11.217 505 HG13 ILE 69 3HG1 ILE 69 -12.408 10.248 9.640 506 HG21 ILE 69 1HG2 ILE 69 -15.205 12.215 8.807 507 HG22 ILE 69 2HG2 ILE 69 -14.734 10.548 9.134 508 HG23 ILE 69 3HG2 ILE 69 -15.581 11.482 10.366 509 HD11 ILE 69 1HD1 ILE 69 -10.517 10.827 10.617 510 HD12 ILE 69 2HD1 ILE 69 -11.274 12.310 11.198 511 HD13 ILE 69 3HD1 ILE 69 -11.319 10.852 12.188 512 H ASN 70 H ASN 70 -10.753 11.665 8.208 513 HA ASN 70 HA ASN 70 -12.044 10.884 5.681 514 HB2 ASN 70 2HB ASN 70 -9.081 10.750 6.070 515 HB3 ASN 70 3HB ASN 70 -10.003 11.050 4.600 516 HD21 ASN 70 1HD2 ASN 70 -8.724 12.440 7.519 517 HD22 ASN 70 2HD2 ASN 70 -8.908 14.093 7.050 518 HA PRO 71 HA PRO 71 -11.670 6.933 8.011 519 HB2 PRO 71 2HB PRO 71 -13.956 5.876 6.998 520 HB3 PRO 71 3HB PRO 71 -13.933 6.944 8.407 521 HG2 PRO 71 2HG PRO 71 -14.562 7.588 5.552 522 HG3 PRO 71 3HG PRO 71 -15.386 8.124 7.028 523 HD2 PRO 71 2HD PRO 71 -13.625 9.689 5.693 524 HD3 PRO 71 3HD PRO 71 -13.824 9.765 7.456 525 H ALA 72 H ALA 72 -12.877 7.253 4.667 526 HA ALA 72 HA ALA 72 -11.154 4.984 3.916 527 HB1 ALA 72 1HB ALA 72 -13.417 5.945 2.214 528 HB2 ALA 72 2HB ALA 72 -12.685 4.342 2.305 529 HB3 ALA 72 3HB ALA 72 -13.729 4.909 3.608 530 H GLN 73 H GLN 73 -11.969 8.304 3.265 531 HA GLN 73 HA GLN 73 -11.044 9.897 1.930 532 HB2 GLN 73 2HB GLN 73 -8.559 8.281 1.597 533 HB3 GLN 73 3HB GLN 73 -8.742 10.001 1.915 534 HG2 GLN 73 2HG GLN 73 -9.691 9.124 4.212 535 HG3 GLN 73 3HG GLN 73 -8.719 7.711 3.802 536 HE21 GLN 73 1HE2 GLN 73 -8.254 11.203 3.383 537 HE22 GLN 73 2HE2 GLN 73 -6.725 11.269 4.183 538 H THR 74 H THR 74 -12.347 7.437 0.743 539 HA THR 74 HA THR 74 -11.035 7.042 -1.786 540 HB THR 74 HB THR 74 -13.896 6.291 -1.341 541 HG1 THR 74 HG1 THR 74 -13.362 4.701 0.038 542 HG21 THR 74 1HG2 THR 74 -12.441 4.154 -2.354 543 HG22 THR 74 2HG2 THR 74 -11.716 5.570 -3.116 544 HG23 THR 74 3HG2 THR 74 -13.446 5.269 -3.278 545 H ALA 75 H ALA 75 -12.134 7.446 -3.859 546 HA ALA 75 HA ALA 75 -12.814 10.154 -4.166 547 HB1 ALA 75 1HB ALA 75 -12.007 9.378 -6.131 548 HB2 ALA 75 2HB ALA 75 -12.718 7.778 -5.918 549 HB3 ALA 75 3HB ALA 75 -13.720 9.121 -6.465 550 H GLY 76 H GLY 76 -14.820 7.231 -4.066 551 HA2 GLY 76 2HA GLY 76 -17.272 8.522 -4.647 552 HA3 GLY 76 3HA GLY 76 -17.092 6.953 -3.878 553 H ASN 77 H ASN 77 -15.601 7.842 -1.613 554 HA ASN 77 HA ASN 77 -17.764 8.664 0.053 555 HB2 ASN 77 2HB ASN 77 -14.813 8.407 0.676 556 HB3 ASN 77 3HB ASN 77 -16.092 8.606 1.870 557 HD21 ASN 77 1HD2 ASN 77 -16.511 6.785 2.865 558 HD22 ASN 77 2HD2 ASN 77 -16.536 5.211 2.153 559 H VAL 78 H VAL 78 -14.593 10.185 -0.567 560 HA VAL 78 HA VAL 78 -15.097 12.615 0.667 561 HB VAL 78 HB VAL 78 -13.301 13.555 -0.660 562 HG11 VAL 78 1HG1 VAL 78 -12.576 12.149 1.120 563 HG12 VAL 78 2HG1 VAL 78 -12.861 10.692 0.166 564 HG13 VAL 78 3HG1 VAL 78 -11.557 11.795 -0.274 565 HG21 VAL 78 1HG2 VAL 78 -14.078 11.424 -2.528 566 HG22 VAL 78 2HG2 VAL 78 -13.379 13.011 -2.844 567 HG23 VAL 78 3HG2 VAL 78 -12.341 11.672 -2.355 568 H PHE 79 H PHE 79 -16.170 11.429 -2.417 569 HA PHE 79 HA PHE 79 -16.752 13.780 -3.764 570 HB2 PHE 79 2HB PHE 79 -16.979 11.706 -4.920 571 HB3 PHE 79 3HB PHE 79 -18.160 11.111 -3.758 572 HD1 PHE 79 HD1 PHE 79 -17.671 13.883 -6.200 573 HD2 PHE 79 HD2 PHE 79 -20.396 11.230 -4.288 574 HE1 PHE 79 HE1 PHE 79 -19.489 14.727 -7.628 575 HE2 PHE 79 HE2 PHE 79 -22.218 12.069 -5.713 576 HZ PHE 79 HZ PHE 79 -21.766 13.819 -7.386 577 H MET 80 H MET 80 -18.805 11.969 -1.494 578 HA MET 80 HA MET 80 -20.724 14.172 -1.470 579 HB2 MET 80 2HB MET 80 -20.809 11.304 -0.852 580 HB3 MET 80 3HB MET 80 -21.692 12.306 0.291 581 HG2 MET 80 2HG MET 80 -23.307 12.791 -1.181 582 HG3 MET 80 3HG MET 80 -22.178 12.947 -2.525 583 HE1 MET 80 1HE MET 80 -25.231 9.976 -2.120 584 HE2 MET 80 2HE MET 80 -24.424 9.987 -0.552 585 HE3 MET 80 3HE MET 80 -24.975 11.501 -1.271 586 H LYS 81 H LYS 81 -18.150 12.861 0.381 587 HA LYS 81 HA LYS 81 -18.910 13.766 2.951 588 HB2 LYS 81 2HB LYS 81 -17.000 12.134 2.182 589 HB3 LYS 81 3HB LYS 81 -16.038 13.605 2.121 590 HG2 LYS 81 2HG LYS 81 -15.594 13.034 4.255 591 HG3 LYS 81 3HG LYS 81 -17.104 13.898 4.553 592 HD2 LYS 81 2HD LYS 81 -18.340 11.874 4.665 593 HD3 LYS 81 3HD LYS 81 -16.985 10.934 4.035 594 HE2 LYS 81 2HE LYS 81 -15.874 10.943 6.034 595 HE3 LYS 81 3HE LYS 81 -16.573 12.480 6.540 596 HZ1 LYS 81 1HZ LYS 81 -18.159 9.985 6.354 597 HZ2 LYS 81 2HZ LYS 81 -18.585 11.431 7.121 598 HZ3 LYS 81 3HZ LYS 81 -17.363 10.458 7.771 599 H TYR 82 H TYR 82 -16.582 15.149 0.626 600 HA TYR 82 HA TYR 82 -17.093 17.783 1.845 601 HB2 TYR 82 2HB TYR 82 -14.526 17.076 0.447 602 HB3 TYR 82 3HB TYR 82 -14.838 18.392 1.573 603 HD1 TYR 82 HD1 TYR 82 -13.308 15.288 1.234 604 HD2 TYR 82 HD2 TYR 82 -15.654 17.532 3.984 605 HE1 TYR 82 HE1 TYR 82 -12.463 13.899 3.080 606 HE2 TYR 82 HE2 TYR 82 -14.815 16.150 5.837 607 HH TYR 82 HH TYR 82 -13.172 13.238 5.361 608 H GLY 83 H GLY 83 -16.773 15.910 -1.066 609 HA2 GLY 83 2HA GLY 83 -17.143 16.410 -3.279 610 HA3 GLY 83 3HA GLY 83 -18.340 17.534 -2.653 611 H GLN 84 H GLN 84 -14.833 17.256 -3.193 612 HA GLN 84 HA GLN 84 -13.260 18.805 -3.758 613 HB2 GLN 84 2HB GLN 84 -15.648 19.746 -5.337 614 HB3 GLN 84 3HB GLN 84 -14.064 20.494 -5.493 615 HG2 GLN 84 2HG GLN 84 -13.338 18.881 -6.826 616 HG3 GLN 84 3HG GLN 84 -13.900 17.622 -5.727 617 HE21 GLN 84 1HE2 GLN 84 -16.240 17.143 -5.809 618 HE22 GLN 84 2HE2 GLN 84 -17.024 17.194 -7.347 619 H GLU 85 H GLU 85 -13.805 19.357 -1.315 620 HA GLU 85 HA GLU 85 -13.437 22.129 -1.029 621 HB2 GLU 85 2HB GLU 85 -15.996 21.824 -1.525 622 HB3 GLU 85 3HB GLU 85 -16.064 21.327 0.160 623 HG2 GLU 85 2HG GLU 85 -14.829 23.527 0.641 624 HG3 GLU 85 3HG GLU 85 -15.327 23.989 -0.986 625 H ILE 86 H ILE 86 -11.727 20.802 0.042 626 HA ILE 86 HA ILE 86 -12.371 20.545 2.881 627 HB ILE 86 HB ILE 86 -12.573 18.271 2.078 628 HG12 ILE 86 2HG1 ILE 86 -9.953 18.722 3.523 629 HG13 ILE 86 3HG1 ILE 86 -11.541 18.604 4.274 630 HG21 ILE 86 1HG2 ILE 86 -11.148 18.654 0.041 631 HG22 ILE 86 2HG2 ILE 86 -9.740 18.447 1.082 632 HG23 ILE 86 3HG2 ILE 86 -10.883 17.121 0.871 633 HD11 ILE 86 1HD1 ILE 86 -9.706 16.536 3.668 634 HD12 ILE 86 2HD1 ILE 86 -11.282 16.421 4.452 635 HD13 ILE 86 3HD1 ILE 86 -11.157 16.286 2.698 636 H ARG 87 H ARG 87 -10.676 20.997 4.258 637 HA ARG 87 HA ARG 87 -8.241 22.022 2.957 638 HB2 ARG 87 2HB ARG 87 -10.010 23.167 4.901 639 HB3 ARG 87 3HB ARG 87 -8.413 22.982 5.614 640 HG2 ARG 87 2HG ARG 87 -8.799 24.262 2.931 641 HG3 ARG 87 3HG ARG 87 -8.944 25.177 4.433 642 HD2 ARG 87 2HD ARG 87 -6.587 23.743 4.726 643 HD3 ARG 87 3HD ARG 87 -6.575 24.258 3.040 644 HE ARG 87 HE ARG 87 -6.289 26.425 3.733 645 HH11 ARG 87 1HH1 ARG 87 -7.230 24.456 6.445 646 HH12 ARG 87 2HH1 ARG 87 -6.935 25.698 7.617 647 HH21 ARG 87 1HH2 ARG 87 -5.896 28.069 5.265 648 HH22 ARG 87 2HH2 ARG 87 -6.177 27.753 6.944 649 H LEU 88 H LEU 88 -6.223 21.549 3.833 650 HA LEU 88 HA LEU 88 -6.193 19.209 5.610 651 HB2 LEU 88 2HB LEU 88 -4.544 20.101 3.336 652 HB3 LEU 88 3HB LEU 88 -3.666 19.359 4.672 653 HG LEU 88 HG LEU 88 -5.335 17.418 4.422 654 HD11 LEU 88 1HD1 LEU 88 -6.983 17.821 2.971 655 HD12 LEU 88 2HD1 LEU 88 -5.782 17.493 1.723 656 HD13 LEU 88 3HD1 LEU 88 -6.114 19.155 2.211 657 HD21 LEU 88 1HD2 LEU 88 -2.988 17.233 3.850 658 HD22 LEU 88 2HD2 LEU 88 -3.283 17.997 2.288 659 HD23 LEU 88 3HD2 LEU 88 -3.972 16.411 2.639 660 H ILE 89 H ILE 89 -5.652 19.549 7.651 661 HA ILE 89 HA ILE 89 -3.784 21.745 8.266 662 HB ILE 89 HB ILE 89 -6.069 20.788 9.994 663 HG12 ILE 89 2HG1 ILE 89 -6.679 23.334 9.548 664 HG13 ILE 89 3HG1 ILE 89 -5.750 23.057 8.079 665 HG21 ILE 89 1HG2 ILE 89 -4.179 23.100 10.409 666 HG22 ILE 89 2HG2 ILE 89 -5.479 22.592 11.486 667 HG23 ILE 89 3HG2 ILE 89 -4.078 21.549 11.243 668 HD11 ILE 89 1HD1 ILE 89 -8.349 22.677 8.167 669 HD12 ILE 89 2HD1 ILE 89 -7.298 21.633 7.209 670 HD13 ILE 89 3HD1 ILE 89 -7.864 21.101 8.791 671 HA PRO 90 HA PRO 90 -1.258 18.558 10.005 672 HB2 PRO 90 2HB PRO 90 0.476 20.172 11.330 673 HB3 PRO 90 3HB PRO 90 0.515 19.955 9.576 674 HG2 PRO 90 2HG PRO 90 -0.681 22.180 11.184 675 HG3 PRO 90 3HG PRO 90 0.277 22.265 9.694 676 HD2 PRO 90 2HD PRO 90 -2.423 22.476 9.705 677 HD3 PRO 90 3HD PRO 90 -1.528 21.748 8.356 678 H ARG 91 H ARG 91 -3.072 17.863 11.392 679 HA ARG 91 HA ARG 91 -2.755 18.787 14.172 680 HB2 ARG 91 2HB ARG 91 -5.188 17.403 13.047 681 HB3 ARG 91 3HB ARG 91 -5.039 18.243 14.585 682 HG2 ARG 91 2HG ARG 91 -4.589 20.338 13.191 683 HG3 ARG 91 3HG ARG 91 -5.205 19.402 11.828 684 HD2 ARG 91 2HD ARG 91 -7.245 20.045 12.446 685 HD3 ARG 91 3HD ARG 91 -7.065 18.981 13.840 686 HE ARG 91 HE ARG 91 -5.873 21.452 14.425 687 HH11 ARG 91 1HH1 ARG 91 -9.019 20.058 13.891 688 HH12 ARG 91 2HH1 ARG 91 -9.841 21.203 14.899 689 HH21 ARG 91 1HH2 ARG 91 -6.944 22.964 15.755 690 HH22 ARG 91 2HH2 ARG 91 -8.660 22.856 15.958 691 H ASP 92 H ASP 92 -3.111 17.134 15.839 692 HA ASP 92 HA ASP 92 -2.646 15.138 16.827 693 HB2 ASP 92 2HB ASP 92 -4.306 14.494 14.791 694 HB3 ASP 92 3HB ASP 92 -2.887 13.553 14.340 695 H ARG 93 H ARG 93 -0.482 16.622 16.017 696 HA ARG 93 HA ARG 93 1.528 14.572 15.780 697 HB2 ARG 93 2HB ARG 93 0.994 14.989 13.417 698 HB3 ARG 93 3HB ARG 93 1.312 16.703 13.646 699 HG2 ARG 93 2HG ARG 93 3.658 15.972 14.373 700 HG3 ARG 93 3HG ARG 93 3.248 14.420 13.641 701 HD2 ARG 93 2HD ARG 93 3.642 15.216 11.604 702 HD3 ARG 93 3HD ARG 93 2.539 16.566 11.871 703 HE ARG 93 HE ARG 93 4.346 17.914 12.256 704 HH11 ARG 93 1HH1 ARG 93 5.343 14.587 12.492 705 HH12 ARG 93 2HH1 ARG 93 7.029 14.965 12.619 706 HH21 ARG 93 1HH2 ARG 93 6.562 18.424 12.422 707 HH22 ARG 93 2HH2 ARG 93 7.721 17.148 12.580 708 H VAL 94 H VAL 94 1.352 18.084 15.169 709 HA VAL 94 HA VAL 94 3.679 18.555 16.799 710 HB VAL 94 HB VAL 94 1.793 20.524 15.496 711 HG11 VAL 94 1HG1 VAL 94 4.517 20.934 16.725 712 HG12 VAL 94 2HG1 VAL 94 3.607 22.149 15.825 713 HG13 VAL 94 3HG1 VAL 94 2.984 21.534 17.357 714 HG21 VAL 94 1HG2 VAL 94 4.397 19.310 14.601 715 HG22 VAL 94 2HG2 VAL 94 2.832 19.243 13.791 716 HG23 VAL 94 3HG2 VAL 94 3.714 20.768 13.880 717 H GLY 95 H GLY 95 0.389 19.945 16.932 718 HA2 GLY 95 2HA GLY 95 -0.472 19.336 19.387 719 HA3 GLY 95 3HA GLY 95 0.759 20.535 19.756 Start of MODEL 12 1 H1 MET 1 H MET 1 2.749 0.882 -1.929 2 HA MET 1 HA MET 1 1.087 3.248 -2.429 3 HB2 MET 1 2HB MET 1 1.022 3.543 -0.031 4 HB3 MET 1 3HB MET 1 0.594 1.882 -0.418 5 HG2 MET 1 2HG MET 1 2.868 1.173 0.152 6 HG3 MET 1 3HG MET 1 3.271 2.837 0.568 7 HE1 MET 1 1HE MET 1 2.978 -0.149 2.915 8 HE2 MET 1 2HE MET 1 4.116 1.065 2.330 9 HE3 MET 1 3HE MET 1 3.395 1.232 3.931 10 H SER 2 H SER 2 4.349 2.222 -1.865 11 HA SER 2 HA SER 2 5.217 5.037 -1.784 12 HB2 SER 2 2HB SER 2 7.322 4.157 -0.752 13 HB3 SER 2 3HB SER 2 5.886 3.891 0.236 14 HG SER 2 HG SER 2 6.629 1.910 0.237 15 H GLN 3 H GLN 3 4.661 4.342 -4.235 16 HA GLN 3 HA GLN 3 7.282 4.007 -5.481 17 HB2 GLN 3 2HB GLN 3 4.912 2.236 -5.886 18 HB3 GLN 3 3HB GLN 3 5.947 2.586 -7.264 19 HG2 GLN 3 2HG GLN 3 7.872 1.715 -6.058 20 HG3 GLN 3 3HG GLN 3 6.854 1.390 -4.656 21 HE21 GLN 3 1HE2 GLN 3 7.958 0.270 -7.676 22 HE22 GLN 3 2HE2 GLN 3 7.057 -1.203 -7.723 23 H ASN 4 H ASN 4 7.281 4.660 -7.777 24 HA ASN 4 HA ASN 4 5.345 6.831 -8.211 25 HB2 ASN 4 2HB ASN 4 8.129 6.856 -8.264 26 HB3 ASN 4 3HB ASN 4 7.667 6.864 -9.963 27 HD21 ASN 4 1HD2 ASN 4 5.842 8.441 -10.461 28 HD22 ASN 4 2HD2 ASN 4 5.982 10.009 -9.747 29 H GLU 5 H GLU 5 3.982 6.749 -9.882 30 HA GLU 5 HA GLU 5 4.566 5.490 -12.355 31 HB2 GLU 5 2HB GLU 5 4.051 3.559 -10.687 32 HB3 GLU 5 3HB GLU 5 2.381 4.079 -10.860 33 HG2 GLU 5 2HG GLU 5 3.074 3.909 -13.446 34 HG3 GLU 5 3HG GLU 5 4.141 2.683 -12.764 35 H GLU 6 H GLU 6 3.071 6.002 -13.941 36 HA GLU 6 HA GLU 6 1.567 8.301 -13.643 37 HB2 GLU 6 2HB GLU 6 2.316 7.282 -15.807 38 HB3 GLU 6 3HB GLU 6 1.016 6.109 -15.647 39 HG2 GLU 6 2HG GLU 6 -0.339 7.518 -16.671 40 HG3 GLU 6 3HG GLU 6 -0.158 8.640 -15.324 41 H ALA 7 H ALA 7 -0.309 8.743 -12.703 42 HA ALA 7 HA ALA 7 -1.814 6.902 -11.263 43 HB1 ALA 7 1HB ALA 7 -3.371 9.185 -12.189 44 HB2 ALA 7 2HB ALA 7 -2.926 8.703 -10.551 45 HB3 ALA 7 3HB ALA 7 -1.795 9.633 -11.534 46 HA PRO 8 HA PRO 8 -4.535 4.911 -14.071 47 HB2 PRO 8 2HB PRO 8 -6.861 4.833 -12.674 48 HB3 PRO 8 3HB PRO 8 -5.461 3.836 -12.264 49 HG2 PRO 8 2HG PRO 8 -6.380 6.408 -11.039 50 HG3 PRO 8 3HG PRO 8 -5.777 4.943 -10.243 51 HD2 PRO 8 2HD PRO 8 -4.228 7.128 -10.638 52 HD3 PRO 8 3HD PRO 8 -3.572 5.478 -10.647 53 H ALA 9 H ALA 9 -4.554 6.595 -15.675 54 HA ALA 9 HA ALA 9 -7.051 8.162 -15.677 55 HB1 ALA 9 1HB ALA 9 -5.990 9.969 -16.706 56 HB2 ALA 9 2HB ALA 9 -4.835 9.437 -15.483 57 HB3 ALA 9 3HB ALA 9 -4.592 9.001 -17.174 58 H ARG 10 H ARG 10 -6.610 5.458 -16.687 59 HA ARG 10 HA ARG 10 -7.111 5.944 -19.551 60 HB2 ARG 10 2HB ARG 10 -5.411 3.964 -18.180 61 HB3 ARG 10 3HB ARG 10 -6.421 3.311 -19.464 62 HG2 ARG 10 2HG ARG 10 -5.390 5.526 -20.660 63 HG3 ARG 10 3HG ARG 10 -4.059 5.029 -19.613 64 HD2 ARG 10 2HD ARG 10 -5.433 2.937 -21.214 65 HD3 ARG 10 3HD ARG 10 -4.365 4.056 -22.060 66 HE ARG 10 HE ARG 10 -2.937 3.160 -19.885 67 HH11 ARG 10 1HH1 ARG 10 -4.472 1.730 -22.663 68 HH12 ARG 10 2HH1 ARG 10 -3.359 0.405 -22.759 69 HH21 ARG 10 1HH2 ARG 10 -1.466 1.421 -20.000 70 HH22 ARG 10 2HH2 ARG 10 -1.650 0.230 -21.243 71 H SER 11 H SER 11 -8.012 4.153 -16.668 72 HA SER 11 HA SER 11 -10.158 2.745 -17.985 73 HB2 SER 11 2HB SER 11 -9.183 2.921 -15.145 74 HB3 SER 11 3HB SER 11 -10.728 2.159 -15.522 75 HG SER 11 HG SER 11 -9.655 0.672 -16.800 76 H GLY 12 H GLY 12 -12.410 2.897 -17.174 77 HA2 GLY 12 2HA GLY 12 -13.390 5.527 -17.426 78 HA3 GLY 12 3HA GLY 12 -14.331 4.129 -16.927 79 H GLY 13 H GLY 13 -14.815 6.638 -15.868 80 HA2 GLY 13 2HA GLY 13 -15.325 7.468 -13.772 81 HA3 GLY 13 3HA GLY 13 -14.508 6.081 -13.067 82 H LYS 14 H LYS 14 -14.372 9.391 -13.586 83 HA LYS 14 HA LYS 14 -11.676 9.487 -12.471 84 HB2 LYS 14 2HB LYS 14 -12.509 10.659 -15.098 85 HB3 LYS 14 3HB LYS 14 -11.293 11.482 -14.130 86 HG2 LYS 14 2HG LYS 14 -9.806 9.657 -14.265 87 HG3 LYS 14 3HG LYS 14 -11.062 8.586 -14.892 88 HD2 LYS 14 2HD LYS 14 -9.685 9.191 -16.733 89 HD3 LYS 14 3HD LYS 14 -11.192 10.093 -16.903 90 HE2 LYS 14 2HE LYS 14 -9.399 11.645 -15.338 91 HE3 LYS 14 3HE LYS 14 -8.532 11.083 -16.766 92 HZ1 LYS 14 1HZ LYS 14 -10.312 13.188 -16.614 93 HZ2 LYS 14 2HZ LYS 14 -11.125 11.977 -17.470 94 HZ3 LYS 14 3HZ LYS 14 -9.622 12.533 -18.014 95 H VAL 15 H VAL 15 -11.227 11.365 -11.287 96 HA VAL 15 HA VAL 15 -13.236 13.450 -11.104 97 HB VAL 15 HB VAL 15 -14.110 11.787 -9.541 98 HG11 VAL 15 1HG1 VAL 15 -12.697 11.399 -7.430 99 HG12 VAL 15 2HG1 VAL 15 -12.278 10.496 -8.887 100 HG13 VAL 15 3HG1 VAL 15 -11.330 11.908 -8.421 101 HG21 VAL 15 1HG2 VAL 15 -12.862 14.108 -8.073 102 HG22 VAL 15 2HG2 VAL 15 -14.327 14.202 -9.050 103 HG23 VAL 15 3HG2 VAL 15 -14.300 13.206 -7.595 104 H THR 16 H THR 16 -12.470 15.355 -10.200 105 HA THR 16 HA THR 16 -9.600 15.373 -9.524 106 HB THR 16 HB THR 16 -9.861 16.439 -11.663 107 HG1 THR 16 HG1 THR 16 -8.662 17.519 -9.768 108 HG21 THR 16 1HG2 THR 16 -11.825 18.359 -10.421 109 HG22 THR 16 2HG2 THR 16 -12.318 16.934 -11.337 110 HG23 THR 16 3HG2 THR 16 -11.383 18.207 -12.121 111 H PHE 17 H PHE 17 -9.237 15.919 -7.485 112 HA PHE 17 HA PHE 17 -11.190 17.646 -6.117 113 HB2 PHE 17 2HB PHE 17 -10.765 15.270 -5.262 114 HB3 PHE 17 3HB PHE 17 -9.185 15.856 -4.753 115 HD1 PHE 17 HD1 PHE 17 -9.302 18.128 -3.360 116 HD2 PHE 17 HD2 PHE 17 -12.448 15.283 -3.711 117 HE1 PHE 17 HE1 PHE 17 -10.286 18.962 -1.265 118 HE2 PHE 17 HE2 PHE 17 -13.438 16.113 -1.617 119 HZ PHE 17 HZ PHE 17 -12.357 17.956 -0.391 120 H ARG 18 H ARG 18 -10.555 19.542 -5.270 121 HA ARG 18 HA ARG 18 -7.698 20.222 -5.481 122 HB2 ARG 18 2HB ARG 18 -9.075 21.573 -6.949 123 HB3 ARG 18 3HB ARG 18 -10.139 21.997 -5.615 124 HG2 ARG 18 2HG ARG 18 -7.546 22.735 -4.825 125 HG3 ARG 18 3HG ARG 18 -7.742 23.277 -6.493 126 HD2 ARG 18 2HD ARG 18 -9.839 24.392 -5.868 127 HD3 ARG 18 3HD ARG 18 -9.609 23.871 -4.200 128 HE ARG 18 HE ARG 18 -7.387 25.364 -5.215 129 HH11 ARG 18 1HH1 ARG 18 -10.556 25.610 -3.794 130 HH12 ARG 18 2HH1 ARG 18 -10.276 27.184 -3.126 131 HH21 ARG 18 1HH2 ARG 18 -7.007 27.436 -4.340 132 HH22 ARG 18 2HH2 ARG 18 -8.258 28.222 -3.438 133 H ILE 19 H ILE 19 -6.739 20.093 -3.561 134 HA ILE 19 HA ILE 19 -8.239 20.889 -1.163 135 HB ILE 19 HB ILE 19 -5.640 19.359 -1.316 136 HG12 ILE 19 2HG1 ILE 19 -8.410 18.300 -0.725 137 HG13 ILE 19 3HG1 ILE 19 -7.619 18.160 -2.291 138 HG21 ILE 19 1HG2 ILE 19 -5.504 19.604 0.885 139 HG22 ILE 19 2HG2 ILE 19 -6.879 20.705 0.816 140 HG23 ILE 19 3HG2 ILE 19 -7.142 18.984 1.092 141 HD11 ILE 19 1HD1 ILE 19 -5.847 17.183 -0.299 142 HD12 ILE 19 2HD1 ILE 19 -7.429 16.438 -0.070 143 HD13 ILE 19 3HD1 ILE 19 -6.613 16.314 -1.628 144 H ILE 20 H ILE 20 -7.688 22.643 -0.023 145 HA ILE 20 HA ILE 20 -5.474 24.271 -0.998 146 HB ILE 20 HB ILE 20 -7.649 25.357 -0.696 147 HG12 ILE 20 2HG1 ILE 20 -6.525 26.904 1.359 148 HG13 ILE 20 3HG1 ILE 20 -5.157 26.203 0.502 149 HG21 ILE 20 1HG2 ILE 20 -7.884 23.811 1.543 150 HG22 ILE 20 2HG2 ILE 20 -7.548 25.401 2.225 151 HG23 ILE 20 3HG2 ILE 20 -8.920 25.179 1.139 152 HD11 ILE 20 1HD1 ILE 20 -6.364 27.031 -1.620 153 HD12 ILE 20 2HD1 ILE 20 -7.263 28.060 -0.505 154 HD13 ILE 20 3HD1 ILE 20 -5.508 28.193 -0.607 155 H LEU 21 H LEU 21 -3.594 24.464 0.029 156 HA LEU 21 HA LEU 21 -3.313 23.219 2.665 157 HB2 LEU 21 2HB LEU 21 -1.134 24.168 0.818 158 HB3 LEU 21 3HB LEU 21 -0.961 23.126 2.229 159 HG LEU 21 HG LEU 21 -0.770 21.628 0.487 160 HD11 LEU 21 1HD1 LEU 21 -3.742 21.667 0.983 161 HD12 LEU 21 2HD1 LEU 21 -2.545 20.953 2.063 162 HD13 LEU 21 3HD1 LEU 21 -2.776 20.293 0.444 163 HD21 LEU 21 1HD2 LEU 21 -2.965 22.087 -1.239 164 HD22 LEU 21 2HD2 LEU 21 -1.244 22.250 -1.588 165 HD23 LEU 21 3HD2 LEU 21 -2.157 23.633 -0.982 166 H THR 22 H THR 22 -2.466 24.292 4.426 167 HA THR 22 HA THR 22 -2.611 27.208 4.283 168 HB THR 22 HB THR 22 -3.905 26.034 6.044 169 HG1 THR 22 HG1 THR 22 -3.081 27.395 7.773 170 HG21 THR 22 1HG2 THR 22 -1.626 25.551 7.787 171 HG22 THR 22 2HG2 THR 22 -1.612 24.519 6.358 172 HG23 THR 22 3HG2 THR 22 -3.012 24.521 7.430 173 H SER 23 H SER 23 -0.327 24.647 4.642 174 HA SER 23 HA SER 23 1.751 26.459 5.612 175 HB2 SER 23 2HB SER 23 1.480 24.159 6.595 176 HB3 SER 23 3HB SER 23 1.978 23.497 5.038 177 HG SER 23 HG SER 23 3.872 23.657 6.006 178 H GLU 24 H GLU 24 0.553 25.167 2.707 179 HA GLU 24 HA GLU 24 3.090 25.558 1.297 180 HB2 GLU 24 2HB GLU 24 1.414 23.543 1.000 181 HB3 GLU 24 3HB GLU 24 0.587 24.665 -0.072 182 HG2 GLU 24 2HG GLU 24 1.955 23.537 -1.527 183 HG3 GLU 24 3HG GLU 24 2.924 24.961 -1.152 184 H ARG 25 H ARG 25 2.458 27.932 2.067 185 HA ARG 25 HA ARG 25 0.531 29.404 0.688 186 HB2 ARG 25 2HB ARG 25 2.326 29.976 2.635 187 HB3 ARG 25 3HB ARG 25 3.078 30.786 1.267 188 HG2 ARG 25 2HG ARG 25 1.250 32.217 0.964 189 HG3 ARG 25 3HG ARG 25 0.194 31.217 1.964 190 HD2 ARG 25 2HD ARG 25 2.644 32.433 3.161 191 HD3 ARG 25 3HD ARG 25 1.213 33.432 2.912 192 HE ARG 25 HE ARG 25 0.558 31.008 4.240 193 HH11 ARG 25 1HH1 ARG 25 1.986 34.143 4.737 194 HH12 ARG 25 2HH1 ARG 25 1.578 34.207 6.420 195 HH21 ARG 25 1HH2 ARG 25 0.016 31.079 6.454 196 HH22 ARG 25 2HH2 ARG 25 0.458 32.462 7.396 197 H SER 26 H SER 26 3.555 28.135 -0.365 198 HA SER 26 HA SER 26 4.189 29.893 -2.445 199 HB2 SER 26 2HB SER 26 4.909 27.143 -1.682 200 HB3 SER 26 3HB SER 26 5.037 27.475 -3.410 201 HG SER 26 HG SER 26 6.576 28.934 -3.037 202 H GLN 27 H GLN 27 1.910 27.233 -2.280 203 HA GLN 27 HA GLN 27 0.452 28.192 -4.525 204 HB2 GLN 27 2HB GLN 27 2.428 26.036 -4.929 205 HB3 GLN 27 3HB GLN 27 0.831 25.730 -5.597 206 HG2 GLN 27 2HG GLN 27 1.369 28.313 -6.387 207 HG3 GLN 27 3HG GLN 27 2.929 27.504 -6.521 208 HE21 GLN 27 1HE2 GLN 27 1.485 28.494 -8.702 209 HE22 GLN 27 2HE2 GLN 27 1.007 27.162 -9.691 210 HA PRO 28 HA PRO 28 -1.753 25.545 -1.374 211 HB2 PRO 28 2HB PRO 28 -3.588 27.428 -0.701 212 HB3 PRO 28 3HB PRO 28 -2.013 27.297 0.089 213 HG2 PRO 28 2HG PRO 28 -2.892 29.155 -2.087 214 HG3 PRO 28 3HG PRO 28 -1.914 29.500 -0.649 215 HD2 PRO 28 2HD PRO 28 -0.822 29.143 -3.101 216 HD3 PRO 28 3HD PRO 28 0.013 28.675 -1.606 217 H PHE 29 H PHE 29 -2.105 24.804 -3.815 218 HA PHE 29 HA PHE 29 -4.882 24.433 -4.131 219 HB2 PHE 29 2HB PHE 29 -4.959 25.578 -6.452 220 HB3 PHE 29 3HB PHE 29 -5.134 26.582 -5.017 221 HD1 PHE 29 HD1 PHE 29 -3.346 28.074 -4.314 222 HD2 PHE 29 HD2 PHE 29 -3.014 25.729 -7.851 223 HE1 PHE 29 HE1 PHE 29 -1.464 29.473 -5.061 224 HE2 PHE 29 HE2 PHE 29 -1.131 27.123 -8.602 225 HZ PHE 29 HZ PHE 29 -0.354 28.997 -7.207 226 H ARG 30 H ARG 30 -3.409 22.427 -3.981 227 HA ARG 30 HA ARG 30 -2.271 21.661 -6.555 228 HB2 ARG 30 2HB ARG 30 -1.886 20.871 -3.781 229 HB3 ARG 30 3HB ARG 30 -2.069 19.480 -4.842 230 HG2 ARG 30 2HG ARG 30 -0.079 21.711 -5.203 231 HG3 ARG 30 3HG ARG 30 0.271 20.105 -4.560 232 HD2 ARG 30 2HD ARG 30 -0.635 19.192 -6.746 233 HD3 ARG 30 3HD ARG 30 -0.585 20.849 -7.345 234 HE ARG 30 HE ARG 30 1.620 19.079 -7.049 235 HH11 ARG 30 1HH1 ARG 30 0.698 22.429 -6.842 236 HH12 ARG 30 2HH1 ARG 30 2.285 23.023 -7.201 237 HH21 ARG 30 1HH2 ARG 30 3.714 19.848 -7.523 238 HH22 ARG 30 2HH2 ARG 30 4.000 21.554 -7.589 239 H VAL 31 H VAL 31 -3.535 20.747 -8.022 240 HA VAL 31 HA VAL 31 -6.039 19.499 -7.251 241 HB VAL 31 HB VAL 31 -6.411 19.266 -9.696 242 HG11 VAL 31 1HG1 VAL 31 -6.772 21.606 -10.124 243 HG12 VAL 31 2HG1 VAL 31 -7.106 21.279 -8.423 244 HG13 VAL 31 3HG1 VAL 31 -5.593 22.054 -8.892 245 HG21 VAL 31 1HG2 VAL 31 -4.665 19.283 -11.070 246 HG22 VAL 31 2HG2 VAL 31 -4.451 20.999 -10.722 247 HG23 VAL 31 3HG2 VAL 31 -3.593 19.792 -9.765 248 H ILE 32 H ILE 32 -6.462 17.368 -7.230 249 HA ILE 32 HA ILE 32 -4.343 15.545 -8.167 250 HB ILE 32 HB ILE 32 -5.259 13.954 -6.394 251 HG12 ILE 32 2HG1 ILE 32 -6.349 16.546 -5.275 252 HG13 ILE 32 3HG1 ILE 32 -7.330 15.252 -5.954 253 HG21 ILE 32 1HG2 ILE 32 -3.368 14.496 -5.369 254 HG22 ILE 32 2HG2 ILE 32 -3.322 16.001 -6.285 255 HG23 ILE 32 3HG2 ILE 32 -4.113 15.952 -4.710 256 HD11 ILE 32 1HD1 ILE 32 -7.141 15.364 -3.431 257 HD12 ILE 32 2HD1 ILE 32 -6.826 13.801 -4.186 258 HD13 ILE 32 3HD1 ILE 32 -5.482 14.802 -3.638 259 H SER 33 H SER 33 -4.933 14.193 -9.721 260 HA SER 33 HA SER 33 -7.795 13.819 -10.250 261 HB2 SER 33 2HB SER 33 -5.465 13.152 -12.061 262 HB3 SER 33 3HB SER 33 -7.171 13.211 -12.501 263 HG SER 33 HG SER 33 -7.101 15.471 -11.984 264 H ILE 34 H ILE 34 -8.721 11.986 -9.656 265 HA ILE 34 HA ILE 34 -7.189 9.494 -9.765 266 HB ILE 34 HB ILE 34 -8.907 10.148 -7.379 267 HG12 ILE 34 2HG1 ILE 34 -6.451 10.146 -6.323 268 HG13 ILE 34 3HG1 ILE 34 -6.042 10.744 -7.927 269 HG21 ILE 34 1HG2 ILE 34 -8.759 7.868 -7.411 270 HG22 ILE 34 2HG2 ILE 34 -7.195 7.871 -8.223 271 HG23 ILE 34 3HG2 ILE 34 -7.296 8.252 -6.504 272 HD11 ILE 34 1HD1 ILE 34 -8.276 12.215 -7.094 273 HD12 ILE 34 2HD1 ILE 34 -7.184 12.136 -5.711 274 HD13 ILE 34 3HD1 ILE 34 -6.609 12.768 -7.253 275 H ALA 35 H ALA 35 -8.467 7.603 -9.958 276 HA ALA 35 HA ALA 35 -10.865 7.973 -11.447 277 HB1 ALA 35 1HB ALA 35 -10.321 5.279 -10.405 278 HB2 ALA 35 2HB ALA 35 -10.609 5.824 -12.058 279 HB3 ALA 35 3HB ALA 35 -9.011 6.007 -11.335 280 H GLU 36 H GLU 36 -12.979 7.301 -10.932 281 HA GLU 36 HA GLU 36 -13.871 7.962 -8.362 282 HB2 GLU 36 2HB GLU 36 -15.134 7.818 -10.657 283 HB3 GLU 36 3HB GLU 36 -15.484 6.174 -10.140 284 HG2 GLU 36 2HG GLU 36 -16.489 7.067 -8.076 285 HG3 GLU 36 3HG GLU 36 -16.203 8.701 -8.674 286 H GLU 37 H GLU 37 -12.674 5.002 -9.652 287 HA GLU 37 HA GLU 37 -13.518 3.586 -7.209 288 HB2 GLU 37 2HB GLU 37 -13.759 2.853 -9.954 289 HB3 GLU 37 3HB GLU 37 -12.622 1.748 -9.193 290 HG2 GLU 37 2HG GLU 37 -14.300 1.287 -7.442 291 HG3 GLU 37 3HG GLU 37 -15.440 2.317 -8.305 292 H ALA 38 H ALA 38 -10.990 5.175 -8.359 293 HA ALA 38 HA ALA 38 -8.902 3.231 -7.865 294 HB1 ALA 38 1HB ALA 38 -8.344 4.727 -9.566 295 HB2 ALA 38 2HB ALA 38 -8.915 6.124 -8.653 296 HB3 ALA 38 3HB ALA 38 -7.427 5.307 -8.175 297 HA PRO 39 HA PRO 39 -8.322 4.012 -3.580 298 HB2 PRO 39 2HB PRO 39 -5.659 3.536 -3.352 299 HB3 PRO 39 3HB PRO 39 -6.847 2.250 -3.596 300 HG2 PRO 39 2HG PRO 39 -5.067 3.588 -5.597 301 HG3 PRO 39 3HG PRO 39 -5.455 1.867 -5.419 302 HD2 PRO 39 2HD PRO 39 -6.640 3.444 -7.274 303 HD3 PRO 39 3HD PRO 39 -7.479 2.083 -6.502 304 H LEU 40 H LEU 40 -7.058 5.337 -2.038 305 HA LEU 40 HA LEU 40 -6.870 8.018 -2.913 306 HB2 LEU 40 2HB LEU 40 -7.481 7.586 -0.657 307 HB3 LEU 40 3HB LEU 40 -6.020 6.642 -0.377 308 HG LEU 40 HG LEU 40 -4.803 8.900 -0.852 309 HD11 LEU 40 1HD1 LEU 40 -6.112 10.648 -1.230 310 HD12 LEU 40 2HD1 LEU 40 -6.738 10.488 0.411 311 HD13 LEU 40 3HD1 LEU 40 -7.559 9.686 -0.928 312 HD21 LEU 40 1HD2 LEU 40 -5.200 9.524 1.597 313 HD22 LEU 40 2HD2 LEU 40 -4.553 7.919 1.256 314 HD23 LEU 40 3HD2 LEU 40 -6.261 8.116 1.651 315 H THR 41 H THR 41 -4.558 5.443 -2.633 316 HA THR 41 HA THR 41 -2.152 6.756 -2.441 317 HB THR 41 HB THR 41 -1.146 4.905 -3.716 318 HG1 THR 41 HG1 THR 41 -2.341 3.611 -4.948 319 HG21 THR 41 1HG2 THR 41 -1.467 3.367 -2.065 320 HG22 THR 41 2HG2 THR 41 -3.223 3.525 -2.109 321 HG23 THR 41 3HG2 THR 41 -2.249 4.745 -1.290 322 H ALA 42 H ALA 42 -4.321 6.590 -5.170 323 HA ALA 42 HA ALA 42 -2.588 7.382 -7.218 324 HB1 ALA 42 1HB ALA 42 -4.468 6.945 -8.317 325 HB2 ALA 42 2HB ALA 42 -5.434 7.109 -6.850 326 HB3 ALA 42 3HB ALA 42 -5.054 8.533 -7.818 327 H ALA 43 H ALA 43 -4.529 9.314 -4.967 328 HA ALA 43 HA ALA 43 -3.692 11.816 -6.093 329 HB1 ALA 43 1HB ALA 43 -5.407 12.604 -4.927 330 HB2 ALA 43 2HB ALA 43 -5.698 10.971 -4.328 331 HB3 ALA 43 3HB ALA 43 -4.677 12.078 -3.410 332 H LEU 44 H LEU 44 -2.550 9.687 -3.591 333 HA LEU 44 HA LEU 44 -1.059 11.352 -1.987 334 HB2 LEU 44 2HB LEU 44 -1.404 8.813 -1.871 335 HB3 LEU 44 3HB LEU 44 -0.002 8.708 -2.934 336 HG LEU 44 HG LEU 44 1.084 10.201 -1.026 337 HD11 LEU 44 1HD1 LEU 44 0.297 9.589 1.168 338 HD12 LEU 44 2HD1 LEU 44 -0.969 8.578 0.471 339 HD13 LEU 44 3HD1 LEU 44 -1.022 10.328 0.259 340 HD21 LEU 44 1HD2 LEU 44 0.690 7.213 -0.936 341 HD22 LEU 44 2HD2 LEU 44 1.892 8.094 0.008 342 HD23 LEU 44 3HD2 LEU 44 1.981 8.093 -1.754 343 H ARG 45 H ARG 45 -0.410 10.313 -5.253 344 HA ARG 45 HA ARG 45 2.291 10.798 -5.504 345 HB2 ARG 45 2HB ARG 45 0.314 10.136 -7.232 346 HB3 ARG 45 3HB ARG 45 0.619 11.796 -7.728 347 HG2 ARG 45 2HG ARG 45 3.065 11.152 -7.876 348 HG3 ARG 45 3HG ARG 45 2.527 9.479 -7.718 349 HD2 ARG 45 2HD ARG 45 1.692 9.417 -9.811 350 HD3 ARG 45 3HD ARG 45 1.089 11.072 -9.727 351 HE ARG 45 HE ARG 45 3.937 10.963 -9.896 352 HH11 ARG 45 1HH1 ARG 45 1.000 10.787 -11.756 353 HH12 ARG 45 2HH1 ARG 45 1.745 11.322 -13.226 354 HH21 ARG 45 1HH2 ARG 45 4.929 11.669 -11.825 355 HH22 ARG 45 2HH2 ARG 45 3.980 11.823 -13.264 356 H PHE 46 H PHE 46 -0.333 13.144 -6.084 357 HA PHE 46 HA PHE 46 1.576 15.327 -6.138 358 HB2 PHE 46 2HB PHE 46 -1.312 14.998 -6.770 359 HB3 PHE 46 3HB PHE 46 -0.772 16.601 -6.281 360 HD1 PHE 46 HD1 PHE 46 -1.539 14.804 -9.033 361 HD2 PHE 46 HD2 PHE 46 1.698 17.090 -7.482 362 HE1 PHE 46 HE1 PHE 46 -0.746 15.227 -11.323 363 HE2 PHE 46 HE2 PHE 46 2.496 17.519 -9.769 364 HZ PHE 46 HZ PHE 46 1.274 16.587 -11.694 365 H ALA 47 H ALA 47 -0.763 13.928 -3.967 366 HA ALA 47 HA ALA 47 -1.065 16.073 -2.176 367 HB1 ALA 47 1HB ALA 47 -1.308 13.831 -0.605 368 HB2 ALA 47 2HB ALA 47 -2.601 14.583 -1.540 369 HB3 ALA 47 3HB ALA 47 -1.695 13.230 -2.218 370 H ALA 48 H ALA 48 1.433 13.650 -2.530 371 HA ALA 48 HA ALA 48 2.681 13.857 -0.044 372 HB1 ALA 48 1HB ALA 48 3.212 12.137 -1.721 373 HB2 ALA 48 2HB ALA 48 4.005 13.366 -2.708 374 HB3 ALA 48 3HB ALA 48 4.655 12.956 -1.121 375 H GLU 49 H GLU 49 2.706 16.001 -2.783 376 HA GLU 49 HA GLU 49 4.985 17.517 -1.876 377 HB2 GLU 49 2HB GLU 49 2.968 18.413 -3.925 378 HB3 GLU 49 3HB GLU 49 4.655 18.885 -3.780 379 HG2 GLU 49 2HG GLU 49 4.968 16.253 -4.144 380 HG3 GLU 49 3HG GLU 49 3.452 16.492 -5.012 381 H GLU 50 H GLU 50 1.485 17.761 -1.711 382 HA GLU 50 HA GLU 50 1.261 20.408 -0.836 383 HB2 GLU 50 2HB GLU 50 -0.466 17.996 -0.274 384 HB3 GLU 50 3HB GLU 50 -0.906 19.633 0.191 385 HG2 GLU 50 2HG GLU 50 -1.310 20.290 -1.959 386 HG3 GLU 50 3HG GLU 50 -0.197 19.107 -2.646 387 H PHE 51 H PHE 51 1.698 17.408 0.998 388 HA PHE 51 HA PHE 51 1.940 18.937 3.476 389 HB2 PHE 51 2HB PHE 51 0.984 16.341 2.831 390 HB3 PHE 51 3HB PHE 51 2.388 16.141 3.874 391 HD1 PHE 51 HD1 PHE 51 -1.084 16.972 3.707 392 HD2 PHE 51 HD2 PHE 51 2.423 17.371 6.085 393 HE1 PHE 51 HE1 PHE 51 -2.477 17.485 5.669 394 HE2 PHE 51 HE2 PHE 51 1.035 17.883 8.051 395 HZ PHE 51 HZ PHE 51 -1.418 17.940 7.845 396 H GLY 52 H GLY 52 3.869 17.374 1.100 397 HA2 GLY 52 2HA GLY 52 6.150 17.238 0.853 398 HA3 GLY 52 3HA GLY 52 6.286 18.358 2.201 399 H ILE 53 H ILE 53 4.478 15.609 2.976 400 HA ILE 53 HA ILE 53 6.772 14.037 3.831 401 HB ILE 53 HB ILE 53 6.100 13.915 6.150 402 HG12 ILE 53 2HG1 ILE 53 3.968 15.944 5.445 403 HG13 ILE 53 3HG1 ILE 53 3.673 14.243 5.792 404 HG21 ILE 53 1HG2 ILE 53 7.595 15.778 5.279 405 HG22 ILE 53 2HG2 ILE 53 6.198 16.837 5.463 406 HG23 ILE 53 3HG2 ILE 53 6.873 16.016 6.870 407 HD11 ILE 53 1HD1 ILE 53 5.175 15.556 7.895 408 HD12 ILE 53 2HD1 ILE 53 3.609 16.311 7.599 409 HD13 ILE 53 3HD1 ILE 53 3.701 14.593 7.983 410 H ALA 54 H ALA 54 5.657 12.183 5.390 411 HA ALA 54 HA ALA 54 3.167 11.263 4.195 412 HB1 ALA 54 1HB ALA 54 5.774 9.788 3.918 413 HB2 ALA 54 2HB ALA 54 4.203 9.011 3.724 414 HB3 ALA 54 3HB ALA 54 4.679 10.317 2.640 415 H SER 55 H SER 55 2.325 11.528 6.295 416 HA SER 55 HA SER 55 2.337 9.249 7.913 417 HB2 SER 55 2HB SER 55 4.408 11.241 8.548 418 HB3 SER 55 3HB SER 55 3.399 10.782 9.920 419 HG SER 55 HG SER 55 4.934 9.262 9.923 420 H VAL 56 H VAL 56 2.429 12.639 8.974 421 HA VAL 56 HA VAL 56 -0.055 12.425 10.341 422 HB VAL 56 HB VAL 56 0.155 14.784 10.804 423 HG11 VAL 56 1HG1 VAL 56 1.533 13.472 12.197 424 HG12 VAL 56 2HG1 VAL 56 2.732 13.239 10.923 425 HG13 VAL 56 3HG1 VAL 56 2.537 14.824 11.674 426 HG21 VAL 56 1HG2 VAL 56 0.860 16.078 9.122 427 HG22 VAL 56 2HG2 VAL 56 2.491 15.668 9.653 428 HG23 VAL 56 3HG2 VAL 56 1.731 14.751 8.352 429 H ASP 57 H ASP 57 0.845 13.301 7.118 430 HA ASP 57 HA ASP 57 -1.399 14.848 6.407 431 HB2 ASP 57 2HB ASP 57 -0.691 14.608 4.174 432 HB3 ASP 57 3HB ASP 57 0.795 14.526 5.117 433 H SER 58 H SER 58 -1.096 11.541 7.109 434 HA SER 58 HA SER 58 -3.006 10.393 5.416 435 HB2 SER 58 2HB SER 58 -2.125 9.656 8.212 436 HB3 SER 58 3HB SER 58 -3.229 8.666 7.257 437 HG SER 58 HG SER 58 -1.264 7.857 6.798 438 H MET 59 H MET 59 -3.340 12.269 8.343 439 HA MET 59 HA MET 59 -6.169 12.580 7.844 440 HB2 MET 59 2HB MET 59 -6.103 10.529 9.205 441 HB3 MET 59 3HB MET 59 -5.209 11.388 10.452 442 HG2 MET 59 2HG MET 59 -7.068 12.775 10.948 443 HG3 MET 59 3HG MET 59 -7.948 12.205 9.532 444 HE1 MET 59 1HE MET 59 -8.456 10.904 13.627 445 HE2 MET 59 2HE MET 59 -6.726 10.803 13.302 446 HE3 MET 59 3HE MET 59 -7.604 12.292 12.951 447 H ALA 60 H ALA 60 -5.301 14.728 7.476 448 HA ALA 60 HA ALA 60 -5.320 16.293 9.930 449 HB1 ALA 60 1HB ALA 60 -3.145 16.945 8.000 450 HB2 ALA 60 2HB ALA 60 -3.254 17.269 9.731 451 HB3 ALA 60 3HB ALA 60 -2.900 15.638 9.159 452 H ALA 61 H ALA 61 -7.435 16.653 8.790 453 HA ALA 61 HA ALA 61 -7.356 19.179 7.455 454 HB1 ALA 61 1HB ALA 61 -8.889 17.679 5.626 455 HB2 ALA 61 2HB ALA 61 -7.372 18.531 5.334 456 HB3 ALA 61 3HB ALA 61 -7.352 16.837 5.823 457 H THR 62 H THR 62 -9.440 20.140 7.235 458 HA THR 62 HA THR 62 -11.613 18.695 8.599 459 HB THR 62 HB THR 62 -12.279 20.983 9.546 460 HG1 THR 62 HG1 THR 62 -9.515 21.531 9.151 461 HG21 THR 62 1HG2 THR 62 -9.949 20.576 11.087 462 HG22 THR 62 2HG2 THR 62 -10.442 18.995 10.480 463 HG23 THR 62 3HG2 THR 62 -11.577 19.978 11.405 464 H THR 63 H THR 63 -13.685 19.099 7.874 465 HA THR 63 HA THR 63 -13.874 20.186 5.203 466 HB THR 63 HB THR 63 -16.318 19.349 6.682 467 HG1 THR 63 HG1 THR 63 -14.104 17.699 6.138 468 HG21 THR 63 1HG2 THR 63 -15.230 18.922 3.901 469 HG22 THR 63 2HG2 THR 63 -16.567 19.967 4.383 470 HG23 THR 63 3HG2 THR 63 -16.736 18.215 4.485 471 H LYS 64 H LYS 64 -15.655 21.674 4.617 472 HA LYS 64 HA LYS 64 -15.498 24.070 6.094 473 HB2 LYS 64 2HB LYS 64 -17.635 23.404 4.071 474 HB3 LYS 64 3HB LYS 64 -17.000 24.991 4.486 475 HG2 LYS 64 2HG LYS 64 -14.805 23.457 3.635 476 HG3 LYS 64 3HG LYS 64 -16.111 23.153 2.487 477 HD2 LYS 64 2HD LYS 64 -15.341 25.042 1.521 478 HD3 LYS 64 3HD LYS 64 -16.322 25.830 2.759 479 HE2 LYS 64 2HE LYS 64 -13.824 25.219 3.930 480 HE3 LYS 64 3HE LYS 64 -13.495 25.943 2.357 481 HZ1 LYS 64 1HZ LYS 64 -15.084 27.105 4.576 482 HZ2 LYS 64 2HZ LYS 64 -15.046 27.761 3.017 483 HZ3 LYS 64 3HZ LYS 64 -13.629 27.685 3.937 484 H ASP 65 H ASP 65 -17.658 21.371 6.245 485 HA ASP 65 HA ASP 65 -19.766 22.736 7.630 486 HB2 ASP 65 2HB ASP 65 -19.573 20.332 6.317 487 HB3 ASP 65 3HB ASP 65 -19.598 19.830 8.005 488 H GLY 66 H GLY 66 -16.776 21.274 8.520 489 HA2 GLY 66 2HA GLY 66 -16.450 22.281 10.981 490 HA3 GLY 66 3HA GLY 66 -17.522 20.927 11.305 491 H THR 67 H THR 67 -16.681 18.929 11.496 492 HA THR 67 HA THR 67 -13.805 18.683 11.513 493 HB THR 67 HB THR 67 -14.171 16.448 12.415 494 HG1 THR 67 HG1 THR 67 -16.528 15.951 12.810 495 HG21 THR 67 1HG2 THR 67 -14.453 17.422 14.397 496 HG22 THR 67 2HG2 THR 67 -16.181 17.583 14.084 497 HG23 THR 67 3HG2 THR 67 -15.073 18.865 13.595 498 H GLY 68 H GLY 68 -12.557 17.311 10.247 499 HA2 GLY 68 2HA GLY 68 -13.915 16.210 7.863 500 HA3 GLY 68 3HA GLY 68 -12.376 17.053 7.762 501 H ILE 69 H ILE 69 -13.972 14.174 9.034 502 HA ILE 69 HA ILE 69 -11.480 12.891 9.703 503 HB ILE 69 HB ILE 69 -14.289 11.788 9.577 504 HG12 ILE 69 2HG1 ILE 69 -13.388 11.781 12.205 505 HG13 ILE 69 3HG1 ILE 69 -12.788 13.306 11.564 506 HG21 ILE 69 1HG2 ILE 69 -12.956 10.104 11.206 507 HG22 ILE 69 2HG2 ILE 69 -13.193 9.822 9.483 508 HG23 ILE 69 3HG2 ILE 69 -11.679 10.515 10.061 509 HD11 ILE 69 1HD1 ILE 69 -15.500 12.491 12.238 510 HD12 ILE 69 2HD1 ILE 69 -14.794 14.102 12.106 511 HD13 ILE 69 3HD1 ILE 69 -15.366 13.269 10.661 512 H ASN 70 H ASN 70 -10.226 11.767 8.373 513 HA ASN 70 HA ASN 70 -11.332 10.940 5.774 514 HB2 ASN 70 2HB ASN 70 -8.818 12.191 6.569 515 HB3 ASN 70 3HB ASN 70 -8.573 10.764 5.566 516 HD21 ASN 70 1HD2 ASN 70 -10.634 10.813 3.853 517 HD22 ASN 70 2HD2 ASN 70 -10.588 12.239 2.879 518 HA PRO 71 HA PRO 71 -10.623 6.983 8.025 519 HB2 PRO 71 2HB PRO 71 -12.774 5.735 6.939 520 HB3 PRO 71 3HB PRO 71 -12.882 6.760 8.375 521 HG2 PRO 71 2HG PRO 71 -13.521 7.418 5.525 522 HG3 PRO 71 3HG PRO 71 -14.421 7.829 6.997 523 HD2 PRO 71 2HD PRO 71 -12.801 9.596 5.739 524 HD3 PRO 71 3HD PRO 71 -13.038 9.603 7.499 525 H ALA 72 H ALA 72 -11.805 7.265 4.668 526 HA ALA 72 HA ALA 72 -9.745 5.307 3.880 527 HB1 ALA 72 1HB ALA 72 -12.256 5.719 2.305 528 HB2 ALA 72 2HB ALA 72 -11.179 4.323 2.346 529 HB3 ALA 72 3HB ALA 72 -12.241 4.657 3.713 530 H GLN 73 H GLN 73 -11.284 8.359 3.228 531 HA GLN 73 HA GLN 73 -10.730 10.108 1.885 532 HB2 GLN 73 2HB GLN 73 -8.075 8.865 1.283 533 HB3 GLN 73 3HB GLN 73 -8.477 10.557 1.544 534 HG2 GLN 73 2HG GLN 73 -9.042 9.696 3.967 535 HG3 GLN 73 3HG GLN 73 -7.925 8.408 3.516 536 HE21 GLN 73 1HE2 GLN 73 -5.909 8.760 4.070 537 HE22 GLN 73 2HE2 GLN 73 -5.146 10.301 4.235 538 H THR 74 H THR 74 -11.658 7.388 0.805 539 HA THR 74 HA THR 74 -10.630 7.178 -1.841 540 HB THR 74 HB THR 74 -13.360 6.174 -1.138 541 HG1 THR 74 HG1 THR 74 -12.433 4.465 0.005 542 HG21 THR 74 1HG2 THR 74 -11.865 4.162 -2.294 543 HG22 THR 74 2HG2 THR 74 -11.270 5.618 -3.090 544 HG23 THR 74 3HG2 THR 74 -12.989 5.229 -3.135 545 H ALA 75 H ALA 75 -11.965 7.444 -3.806 546 HA ALA 75 HA ALA 75 -12.884 10.081 -4.077 547 HB1 ALA 75 1HB ALA 75 -13.329 7.696 -5.868 548 HB2 ALA 75 2HB ALA 75 -13.657 9.372 -6.312 549 HB3 ALA 75 3HB ALA 75 -12.006 8.859 -5.965 550 H GLY 76 H GLY 76 -14.659 7.018 -3.778 551 HA2 GLY 76 2HA GLY 76 -17.241 8.148 -4.067 552 HA3 GLY 76 3HA GLY 76 -16.875 6.583 -3.356 553 H ASN 77 H ASN 77 -15.220 7.510 -1.239 554 HA ASN 77 HA ASN 77 -17.243 8.193 0.655 555 HB2 ASN 77 2HB ASN 77 -14.485 7.292 0.710 556 HB3 ASN 77 3HB ASN 77 -14.769 8.555 1.903 557 HD21 ASN 77 1HD2 ASN 77 -14.661 7.285 3.689 558 HD22 ASN 77 2HD2 ASN 77 -15.809 6.048 4.057 559 H VAL 78 H VAL 78 -14.227 9.864 -0.272 560 HA VAL 78 HA VAL 78 -14.680 12.239 1.084 561 HB VAL 78 HB VAL 78 -13.242 11.874 -1.549 562 HG11 VAL 78 1HG1 VAL 78 -12.060 13.937 -0.966 563 HG12 VAL 78 2HG1 VAL 78 -13.794 14.214 -1.138 564 HG13 VAL 78 3HG1 VAL 78 -13.071 14.111 0.468 565 HG21 VAL 78 1HG2 VAL 78 -11.566 10.947 -0.419 566 HG22 VAL 78 2HG2 VAL 78 -11.578 12.243 0.777 567 HG23 VAL 78 3HG2 VAL 78 -12.639 10.849 0.976 568 H PHE 79 H PHE 79 -16.075 11.074 -1.872 569 HA PHE 79 HA PHE 79 -16.889 13.393 -3.123 570 HB2 PHE 79 2HB PHE 79 -17.551 10.619 -3.256 571 HB3 PHE 79 3HB PHE 79 -19.048 11.546 -3.281 572 HD1 PHE 79 HD1 PHE 79 -17.068 9.926 -5.388 573 HD2 PHE 79 HD2 PHE 79 -18.433 13.910 -4.771 574 HE1 PHE 79 HE1 PHE 79 -16.721 10.411 -7.775 575 HE2 PHE 79 HE2 PHE 79 -18.089 14.401 -7.157 576 HZ PHE 79 HZ PHE 79 -17.233 12.651 -8.663 577 H MET 80 H MET 80 -18.616 11.582 -0.593 578 HA MET 80 HA MET 80 -20.497 13.800 -0.299 579 HB2 MET 80 2HB MET 80 -21.078 11.238 -0.363 580 HB3 MET 80 3HB MET 80 -20.629 11.297 1.336 581 HG2 MET 80 2HG MET 80 -22.307 13.019 1.729 582 HG3 MET 80 3HG MET 80 -22.748 12.983 0.023 583 HE1 MET 80 1HE MET 80 -23.761 10.702 3.527 584 HE2 MET 80 2HE MET 80 -23.619 12.417 3.142 585 HE3 MET 80 3HE MET 80 -25.147 11.577 2.875 586 H LYS 81 H LYS 81 -17.700 12.479 1.162 587 HA LYS 81 HA LYS 81 -18.106 13.319 3.831 588 HB2 LYS 81 2HB LYS 81 -16.281 11.754 2.710 589 HB3 LYS 81 3HB LYS 81 -15.361 13.252 2.663 590 HG2 LYS 81 2HG LYS 81 -14.764 12.110 4.652 591 HG3 LYS 81 3HG LYS 81 -15.771 13.483 5.119 592 HD2 LYS 81 2HD LYS 81 -16.434 11.527 6.375 593 HD3 LYS 81 3HD LYS 81 -17.718 11.966 5.246 594 HE2 LYS 81 2HE LYS 81 -17.320 10.146 3.883 595 HE3 LYS 81 3HE LYS 81 -15.650 9.976 4.421 596 HZ1 LYS 81 1HZ LYS 81 -16.691 8.221 5.454 597 HZ2 LYS 81 2HZ LYS 81 -18.122 9.076 5.741 598 HZ3 LYS 81 3HZ LYS 81 -16.745 9.396 6.670 599 H TYR 82 H TYR 82 -16.133 14.783 1.242 600 HA TYR 82 HA TYR 82 -16.505 17.385 2.577 601 HB2 TYR 82 2HB TYR 82 -14.139 16.707 0.841 602 HB3 TYR 82 3HB TYR 82 -14.314 18.038 1.978 603 HD1 TYR 82 HD1 TYR 82 -15.378 16.546 4.339 604 HD2 TYR 82 HD2 TYR 82 -12.226 15.609 1.639 605 HE1 TYR 82 HE1 TYR 82 -14.290 15.200 6.086 606 HE2 TYR 82 HE2 TYR 82 -11.130 14.260 3.379 607 HH TYR 82 HH TYR 82 -11.935 12.991 5.505 608 H GLY 83 H GLY 83 -16.559 15.577 -0.392 609 HA2 GLY 83 2HA GLY 83 -17.232 16.117 -2.523 610 HA3 GLY 83 3HA GLY 83 -18.346 17.210 -1.715 611 H GLN 84 H GLN 84 -14.926 17.004 -2.687 612 HA GLN 84 HA GLN 84 -13.458 18.599 -3.395 613 HB2 GLN 84 2HB GLN 84 -16.009 19.527 -4.714 614 HB3 GLN 84 3HB GLN 84 -14.432 20.218 -5.071 615 HG2 GLN 84 2HG GLN 84 -13.858 18.516 -6.385 616 HG3 GLN 84 3HG GLN 84 -14.473 17.314 -5.252 617 HE21 GLN 84 1HE2 GLN 84 -15.197 19.315 -7.988 618 HE22 GLN 84 2HE2 GLN 84 -16.694 18.562 -8.405 619 H GLU 85 H GLU 85 -13.910 19.118 -0.873 620 HA GLU 85 HA GLU 85 -13.536 21.909 -0.635 621 HB2 GLU 85 2HB GLU 85 -16.268 20.902 -0.333 622 HB3 GLU 85 3HB GLU 85 -15.707 21.816 1.060 623 HG2 GLU 85 2HG GLU 85 -15.841 23.757 -0.020 624 HG3 GLU 85 3HG GLU 85 -15.078 23.106 -1.469 625 H ILE 86 H ILE 86 -11.692 20.975 0.400 626 HA ILE 86 HA ILE 86 -12.179 20.435 3.230 627 HB ILE 86 HB ILE 86 -11.965 18.228 2.076 628 HG12 ILE 86 2HG1 ILE 86 -10.085 17.410 3.614 629 HG13 ILE 86 3HG1 ILE 86 -9.911 19.090 4.109 630 HG21 ILE 86 1HG2 ILE 86 -9.071 18.446 1.768 631 HG22 ILE 86 2HG2 ILE 86 -10.273 17.713 0.708 632 HG23 ILE 86 3HG2 ILE 86 -9.981 19.450 0.639 633 HD11 ILE 86 1HD1 ILE 86 -11.298 18.253 5.731 634 HD12 ILE 86 2HD1 ILE 86 -12.460 18.924 4.587 635 HD13 ILE 86 3HD1 ILE 86 -12.147 17.189 4.610 636 H ARG 87 H ARG 87 -10.640 21.248 4.574 637 HA ARG 87 HA ARG 87 -8.470 22.757 3.294 638 HB2 ARG 87 2HB ARG 87 -10.356 23.574 5.122 639 HB3 ARG 87 3HB ARG 87 -8.958 23.252 6.140 640 HG2 ARG 87 2HG ARG 87 -9.017 25.083 3.750 641 HG3 ARG 87 3HG ARG 87 -9.033 25.580 5.443 642 HD2 ARG 87 2HD ARG 87 -6.845 24.227 5.627 643 HD3 ARG 87 3HD ARG 87 -6.819 24.317 3.866 644 HE ARG 87 HE ARG 87 -6.128 26.478 4.054 645 HH11 ARG 87 1HH1 ARG 87 -7.700 25.562 7.021 646 HH12 ARG 87 2HH1 ARG 87 -7.340 27.053 7.825 647 HH21 ARG 87 1HH2 ARG 87 -5.647 28.446 5.102 648 HH22 ARG 87 2HH2 ARG 87 -6.172 28.694 6.732 649 H LEU 88 H LEU 88 -6.396 22.259 3.653 650 HA LEU 88 HA LEU 88 -5.806 19.948 5.314 651 HB2 LEU 88 2HB LEU 88 -4.915 20.231 2.988 652 HB3 LEU 88 3HB LEU 88 -3.922 21.553 3.597 653 HG LEU 88 HG LEU 88 -3.584 19.062 5.087 654 HD11 LEU 88 1HD1 LEU 88 -3.584 18.976 2.190 655 HD12 LEU 88 2HD1 LEU 88 -3.477 17.663 3.361 656 HD13 LEU 88 3HD1 LEU 88 -2.021 18.528 2.873 657 HD21 LEU 88 1HD2 LEU 88 -1.976 21.294 4.004 658 HD22 LEU 88 2HD2 LEU 88 -1.152 19.748 4.209 659 HD23 LEU 88 3HD2 LEU 88 -1.929 20.524 5.590 660 H ILE 89 H ILE 89 -5.153 20.131 7.343 661 HA ILE 89 HA ILE 89 -3.558 22.472 8.122 662 HB ILE 89 HB ILE 89 -5.832 21.340 9.757 663 HG12 ILE 89 2HG1 ILE 89 -5.574 24.003 8.341 664 HG13 ILE 89 3HG1 ILE 89 -6.603 22.670 7.829 665 HG21 ILE 89 1HG2 ILE 89 -3.912 22.143 11.082 666 HG22 ILE 89 2HG2 ILE 89 -4.059 23.717 10.301 667 HG23 ILE 89 3HG2 ILE 89 -5.362 23.117 11.327 668 HD11 ILE 89 1HD1 ILE 89 -7.444 23.029 10.378 669 HD12 ILE 89 2HD1 ILE 89 -7.014 24.676 9.917 670 HD13 ILE 89 3HD1 ILE 89 -8.184 23.769 8.959 671 HA PRO 90 HA PRO 90 -0.926 19.332 9.789 672 HB2 PRO 90 2HB PRO 90 0.708 20.968 11.211 673 HB3 PRO 90 3HB PRO 90 0.790 20.821 9.452 674 HG2 PRO 90 2HG PRO 90 -0.535 22.927 11.116 675 HG3 PRO 90 3HG PRO 90 0.447 23.112 9.651 676 HD2 PRO 90 2HD PRO 90 -2.259 23.203 9.613 677 HD3 PRO 90 3HD PRO 90 -1.306 22.569 8.256 678 H ARG 91 H ARG 91 -2.829 18.590 11.097 679 HA ARG 91 HA ARG 91 -2.594 19.403 13.916 680 HB2 ARG 91 2HB ARG 91 -4.847 19.306 12.352 681 HB3 ARG 91 3HB ARG 91 -4.906 17.755 13.179 682 HG2 ARG 91 2HG ARG 91 -4.900 18.811 15.317 683 HG3 ARG 91 3HG ARG 91 -4.581 20.389 14.594 684 HD2 ARG 91 2HD ARG 91 -6.745 20.737 14.186 685 HD3 ARG 91 3HD ARG 91 -6.937 19.139 13.465 686 HE ARG 91 HE ARG 91 -7.832 18.412 15.435 687 HH11 ARG 91 1HH1 ARG 91 -6.067 21.354 16.025 688 HH12 ARG 91 2HH1 ARG 91 -6.580 21.485 17.674 689 HH21 ARG 91 1HH2 ARG 91 -8.515 18.574 17.605 690 HH22 ARG 91 2HH2 ARG 91 -7.972 19.903 18.572 691 H ASP 92 H ASP 92 -2.892 17.686 15.527 692 HA ASP 92 HA ASP 92 -2.328 15.697 16.475 693 HB2 ASP 92 2HB ASP 92 -3.865 15.026 14.310 694 HB3 ASP 92 3HB ASP 92 -2.395 14.106 14.004 695 H ARG 93 H ARG 93 -0.275 17.400 15.453 696 HA ARG 93 HA ARG 93 1.866 15.433 15.260 697 HB2 ARG 93 2HB ARG 93 1.430 15.914 12.934 698 HB3 ARG 93 3HB ARG 93 1.448 17.644 13.245 699 HG2 ARG 93 2HG ARG 93 3.842 17.428 13.907 700 HG3 ARG 93 3HG ARG 93 3.777 15.746 13.374 701 HD2 ARG 93 2HD ARG 93 3.814 16.305 11.194 702 HD3 ARG 93 3HD ARG 93 2.763 17.701 11.432 703 HE ARG 93 HE ARG 93 5.352 18.160 12.510 704 HH11 ARG 93 1HH1 ARG 93 3.570 18.042 9.522 705 HH12 ARG 93 2HH1 ARG 93 4.623 19.144 8.699 706 HH21 ARG 93 1HH2 ARG 93 6.746 19.612 11.437 707 HH22 ARG 93 2HH2 ARG 93 6.430 20.036 9.788 708 H VAL 94 H VAL 94 1.184 18.933 15.209 709 HA VAL 94 HA VAL 94 3.590 19.450 16.764 710 HB VAL 94 HB VAL 94 1.526 21.368 15.672 711 HG11 VAL 94 1HG1 VAL 94 3.999 22.636 16.156 712 HG12 VAL 94 2HG1 VAL 94 2.455 22.916 16.964 713 HG13 VAL 94 3HG1 VAL 94 3.589 21.731 17.613 714 HG21 VAL 94 1HG2 VAL 94 3.372 21.943 14.075 715 HG22 VAL 94 2HG2 VAL 94 4.237 20.524 14.664 716 HG23 VAL 94 3HG2 VAL 94 2.680 20.336 13.858 717 H GLY 95 H GLY 95 0.080 19.982 17.060 718 HA2 GLY 95 2HA GLY 95 0.361 19.768 19.967 719 HA3 GLY 95 3HA GLY 95 -0.362 21.235 19.323 Start of MODEL 13 1 H1 MET 1 H MET 1 6.092 5.432 -0.224 2 HA MET 1 HA MET 1 8.399 6.717 -1.282 3 HB2 MET 1 2HB MET 1 8.703 4.901 1.060 4 HB3 MET 1 3HB MET 1 9.892 4.782 -0.229 5 HG2 MET 1 2HG MET 1 10.881 6.301 1.168 6 HG3 MET 1 3HG MET 1 10.045 7.361 0.036 7 HE1 MET 1 1HE MET 1 8.494 9.680 1.787 8 HE2 MET 1 2HE MET 1 9.960 9.516 2.754 9 HE3 MET 1 3HE MET 1 10.013 9.221 1.016 10 H SER 2 H SER 2 7.496 6.035 -3.229 11 HA SER 2 HA SER 2 8.068 3.258 -3.904 12 HB2 SER 2 2HB SER 2 5.364 4.531 -4.392 13 HB3 SER 2 3HB SER 2 5.878 2.962 -5.014 14 HG SER 2 HG SER 2 5.065 3.683 -2.479 15 H GLN 3 H GLN 3 7.270 3.073 -6.423 16 HA GLN 3 HA GLN 3 8.445 5.409 -7.781 17 HB2 GLN 3 2HB GLN 3 9.650 2.996 -7.633 18 HB3 GLN 3 3HB GLN 3 8.687 2.764 -9.086 19 HG2 GLN 3 2HG GLN 3 10.525 5.107 -8.690 20 HG3 GLN 3 3HG GLN 3 11.031 3.592 -9.437 21 HE21 GLN 3 1HE2 GLN 3 9.937 6.623 -10.049 22 HE22 GLN 3 2HE2 GLN 3 9.281 6.384 -11.629 23 H ASN 4 H ASN 4 5.665 5.003 -7.294 24 HA ASN 4 HA ASN 4 4.653 4.364 -9.982 25 HB2 ASN 4 2HB ASN 4 3.634 3.890 -7.286 26 HB3 ASN 4 3HB ASN 4 2.439 4.639 -8.342 27 HD21 ASN 4 1HD2 ASN 4 2.992 1.845 -7.169 28 HD22 ASN 4 2HD2 ASN 4 2.744 0.799 -8.522 29 H GLU 5 H GLU 5 4.421 6.109 -11.211 30 HA GLU 5 HA GLU 5 3.133 8.476 -10.047 31 HB2 GLU 5 2HB GLU 5 4.645 9.968 -11.209 32 HB3 GLU 5 3HB GLU 5 5.569 8.886 -10.176 33 HG2 GLU 5 2HG GLU 5 6.178 7.531 -12.084 34 HG3 GLU 5 3HG GLU 5 5.184 8.532 -13.140 35 H GLU 6 H GLU 6 2.001 9.803 -11.565 36 HA GLU 6 HA GLU 6 0.514 10.095 -13.264 37 HB2 GLU 6 2HB GLU 6 2.914 8.933 -14.605 38 HB3 GLU 6 3HB GLU 6 1.437 9.114 -15.541 39 HG2 GLU 6 2HG GLU 6 1.523 11.391 -15.508 40 HG3 GLU 6 3HG GLU 6 2.398 11.447 -13.979 41 H ALA 7 H ALA 7 -1.140 8.799 -12.458 42 HA ALA 7 HA ALA 7 -1.294 6.008 -12.697 43 HB1 ALA 7 1HB ALA 7 -3.129 8.191 -12.014 44 HB2 ALA 7 2HB ALA 7 -3.905 6.759 -12.690 45 HB3 ALA 7 3HB ALA 7 -2.897 6.618 -11.250 46 HA PRO 8 HA PRO 8 -2.415 5.192 -16.860 47 HB2 PRO 8 2HB PRO 8 -4.283 3.240 -16.590 48 HB3 PRO 8 3HB PRO 8 -2.562 2.973 -16.285 49 HG2 PRO 8 2HG PRO 8 -4.774 3.489 -14.335 50 HG3 PRO 8 3HG PRO 8 -3.444 2.320 -14.235 51 HD2 PRO 8 2HD PRO 8 -3.408 4.685 -12.916 52 HD3 PRO 8 3HD PRO 8 -1.933 3.911 -13.529 53 H ALA 9 H ALA 9 -5.170 5.628 -14.669 54 HA ALA 9 HA ALA 9 -7.206 6.612 -14.936 55 HB1 ALA 9 1HB ALA 9 -7.197 8.686 -15.888 56 HB2 ALA 9 2HB ALA 9 -5.459 8.421 -15.740 57 HB3 ALA 9 3HB ALA 9 -6.261 8.163 -17.289 58 H ARG 10 H ARG 10 -6.830 4.136 -16.255 59 HA ARG 10 HA ARG 10 -8.215 4.432 -18.814 60 HB2 ARG 10 2HB ARG 10 -6.284 2.955 -18.803 61 HB3 ARG 10 3HB ARG 10 -6.975 2.017 -17.485 62 HG2 ARG 10 2HG ARG 10 -8.651 1.115 -18.865 63 HG3 ARG 10 3HG ARG 10 -8.347 2.298 -20.139 64 HD2 ARG 10 2HD ARG 10 -7.428 0.134 -20.750 65 HD3 ARG 10 3HD ARG 10 -6.135 1.310 -20.515 66 HE ARG 10 HE ARG 10 -6.317 0.111 -18.100 67 HH11 ARG 10 1HH1 ARG 10 -5.996 -1.100 -21.349 68 HH12 ARG 10 2HH1 ARG 10 -5.120 -2.517 -20.873 69 HH21 ARG 10 1HH2 ARG 10 -5.164 -1.751 -17.462 70 HH22 ARG 10 2HH2 ARG 10 -4.648 -2.887 -18.662 71 H SER 11 H SER 11 -8.699 3.308 -15.553 72 HA SER 11 HA SER 11 -11.011 1.758 -15.951 73 HB2 SER 11 2HB SER 11 -9.439 2.468 -13.776 74 HB3 SER 11 3HB SER 11 -10.999 3.210 -13.420 75 HG SER 11 HG SER 11 -11.371 1.239 -12.711 76 H GLY 12 H GLY 12 -13.206 2.244 -15.731 77 HA2 GLY 12 2HA GLY 12 -14.012 4.743 -16.812 78 HA3 GLY 12 3HA GLY 12 -15.080 3.495 -16.187 79 H GLY 13 H GLY 13 -14.614 6.594 -15.880 80 HA2 GLY 13 2HA GLY 13 -15.833 7.719 -14.091 81 HA3 GLY 13 3HA GLY 13 -15.121 6.567 -12.971 82 H LYS 14 H LYS 14 -15.053 9.667 -13.637 83 HA LYS 14 HA LYS 14 -12.284 9.956 -12.758 84 HB2 LYS 14 2HB LYS 14 -13.445 11.175 -15.251 85 HB3 LYS 14 3HB LYS 14 -12.102 11.935 -14.406 86 HG2 LYS 14 2HG LYS 14 -11.165 9.421 -14.612 87 HG3 LYS 14 3HG LYS 14 -12.170 9.502 -16.060 88 HD2 LYS 14 2HD LYS 14 -10.321 10.404 -16.982 89 HD3 LYS 14 3HD LYS 14 -10.896 11.883 -16.208 90 HE2 LYS 14 2HE LYS 14 -9.419 10.382 -14.296 91 HE3 LYS 14 3HE LYS 14 -8.464 10.486 -15.774 92 HZ1 LYS 14 1HZ LYS 14 -9.249 12.989 -15.596 93 HZ2 LYS 14 2HZ LYS 14 -7.857 12.428 -14.816 94 HZ3 LYS 14 3HZ LYS 14 -9.299 12.603 -13.949 95 H VAL 15 H VAL 15 -12.014 11.542 -11.286 96 HA VAL 15 HA VAL 15 -14.071 13.606 -11.013 97 HB VAL 15 HB VAL 15 -13.125 11.970 -8.658 98 HG11 VAL 15 1HG1 VAL 15 -13.674 14.178 -7.968 99 HG12 VAL 15 2HG1 VAL 15 -15.138 14.190 -8.952 100 HG13 VAL 15 3HG1 VAL 15 -15.038 13.149 -7.532 101 HG21 VAL 15 1HG2 VAL 15 -14.519 10.550 -9.971 102 HG22 VAL 15 2HG2 VAL 15 -15.491 11.137 -8.622 103 HG23 VAL 15 3HG2 VAL 15 -15.695 11.840 -10.226 104 H THR 16 H THR 16 -13.355 15.526 -10.128 105 HA THR 16 HA THR 16 -10.442 15.776 -9.916 106 HB THR 16 HB THR 16 -12.117 18.217 -9.884 107 HG1 THR 16 HG1 THR 16 -12.526 18.065 -12.119 108 HG21 THR 16 1HG2 THR 16 -9.773 17.519 -11.640 109 HG22 THR 16 2HG2 THR 16 -9.578 18.079 -9.979 110 HG23 THR 16 3HG2 THR 16 -10.354 19.117 -11.175 111 H PHE 17 H PHE 17 -9.437 16.674 -8.147 112 HA PHE 17 HA PHE 17 -11.105 17.438 -5.861 113 HB2 PHE 17 2HB PHE 17 -8.884 15.389 -5.808 114 HB3 PHE 17 3HB PHE 17 -9.572 16.123 -4.363 115 HD1 PHE 17 HD1 PHE 17 -9.518 13.175 -5.809 116 HD2 PHE 17 HD2 PHE 17 -12.415 16.165 -4.921 117 HE1 PHE 17 HE1 PHE 17 -11.279 11.457 -5.782 118 HE2 PHE 17 HE2 PHE 17 -14.180 14.451 -4.892 119 HZ PHE 17 HZ PHE 17 -13.613 12.094 -5.322 120 H ARG 18 H ARG 18 -10.391 19.201 -4.834 121 HA ARG 18 HA ARG 18 -7.653 20.120 -5.424 122 HB2 ARG 18 2HB ARG 18 -10.176 21.736 -5.031 123 HB3 ARG 18 3HB ARG 18 -8.564 22.437 -5.102 124 HG2 ARG 18 2HG ARG 18 -8.797 22.588 -7.296 125 HG3 ARG 18 3HG ARG 18 -8.777 20.825 -7.374 126 HD2 ARG 18 2HD ARG 18 -11.089 20.673 -7.436 127 HD3 ARG 18 3HD ARG 18 -11.312 22.270 -6.723 128 HE ARG 18 HE ARG 18 -11.104 21.659 -9.487 129 HH11 ARG 18 1HH1 ARG 18 -10.262 24.064 -7.115 130 HH12 ARG 18 2HH1 ARG 18 -10.243 25.369 -8.254 131 HH21 ARG 18 1HH2 ARG 18 -11.083 23.369 -10.997 132 HH22 ARG 18 2HH2 ARG 18 -10.711 24.973 -10.462 133 H ILE 19 H ILE 19 -6.350 20.409 -3.736 134 HA ILE 19 HA ILE 19 -7.561 20.686 -1.064 135 HB ILE 19 HB ILE 19 -5.502 19.482 -0.205 136 HG12 ILE 19 2HG1 ILE 19 -5.309 18.603 -3.094 137 HG13 ILE 19 3HG1 ILE 19 -4.190 19.709 -2.305 138 HG21 ILE 19 1HG2 ILE 19 -7.089 17.633 -1.926 139 HG22 ILE 19 2HG2 ILE 19 -6.586 17.453 -0.246 140 HG23 ILE 19 3HG2 ILE 19 -7.900 18.554 -0.660 141 HD11 ILE 19 1HD1 ILE 19 -2.979 17.965 -1.700 142 HD12 ILE 19 2HD1 ILE 19 -4.315 17.426 -0.682 143 HD13 ILE 19 3HD1 ILE 19 -4.188 16.856 -2.346 144 H ILE 20 H ILE 20 -6.855 22.340 0.137 145 HA ILE 20 HA ILE 20 -4.466 23.794 -0.796 146 HB ILE 20 HB ILE 20 -6.418 25.150 -1.180 147 HG12 ILE 20 2HG1 ILE 20 -5.495 26.449 1.311 148 HG13 ILE 20 3HG1 ILE 20 -4.224 25.973 0.190 149 HG21 ILE 20 1HG2 ILE 20 -7.365 25.675 1.443 150 HG22 ILE 20 2HG2 ILE 20 -8.232 24.968 0.080 151 HG23 ILE 20 3HG2 ILE 20 -7.355 23.928 1.202 152 HD11 ILE 20 1HD1 ILE 20 -4.875 28.254 -0.213 153 HD12 ILE 20 2HD1 ILE 20 -5.352 27.250 -1.583 154 HD13 ILE 20 3HD1 ILE 20 -6.560 27.772 -0.408 155 H LEU 21 H LEU 21 -2.818 23.701 0.566 156 HA LEU 21 HA LEU 21 -3.308 23.051 3.375 157 HB2 LEU 21 2HB LEU 21 -1.491 22.077 1.610 158 HB3 LEU 21 3HB LEU 21 -0.538 23.317 2.423 159 HG LEU 21 HG LEU 21 -1.902 21.742 4.384 160 HD11 LEU 21 1HD1 LEU 21 -0.012 19.979 2.965 161 HD12 LEU 21 2HD1 LEU 21 -1.600 20.179 2.224 162 HD13 LEU 21 3HD1 LEU 21 -1.468 19.587 3.880 163 HD21 LEU 21 1HD2 LEU 21 0.077 21.930 5.430 164 HD22 LEU 21 2HD2 LEU 21 0.443 23.082 4.145 165 HD23 LEU 21 3HD2 LEU 21 0.992 21.411 4.014 166 H THR 22 H THR 22 -2.132 24.191 5.055 167 HA THR 22 HA THR 22 -2.023 27.057 4.493 168 HB THR 22 HB THR 22 -3.389 26.308 6.404 169 HG1 THR 22 HG1 THR 22 -2.670 28.334 6.741 170 HG21 THR 22 1HG2 THR 22 -1.047 25.733 8.095 171 HG22 THR 22 2HG2 THR 22 -1.427 24.500 6.893 172 HG23 THR 22 3HG2 THR 22 -2.643 24.984 8.075 173 H SER 23 H SER 23 0.005 24.395 5.516 174 HA SER 23 HA SER 23 2.240 26.078 6.206 175 HB2 SER 23 2HB SER 23 1.675 23.735 7.155 176 HB3 SER 23 3HB SER 23 2.423 23.120 5.681 177 HG SER 23 HG SER 23 4.250 23.412 6.654 178 H GLU 24 H GLU 24 0.948 24.786 3.343 179 HA GLU 24 HA GLU 24 3.505 24.903 1.927 180 HB2 GLU 24 2HB GLU 24 1.584 23.083 1.684 181 HB3 GLU 24 3HB GLU 24 0.951 24.253 0.534 182 HG2 GLU 24 2HG GLU 24 2.298 22.576 -0.582 183 HG3 GLU 24 3HG GLU 24 3.038 24.170 -0.718 184 H ARG 25 H ARG 25 3.023 27.354 2.694 185 HA ARG 25 HA ARG 25 1.293 28.923 1.129 186 HB2 ARG 25 2HB ARG 25 2.673 30.832 1.877 187 HB3 ARG 25 3HB ARG 25 2.225 29.766 3.202 188 HG2 ARG 25 2HG ARG 25 4.359 29.102 3.576 189 HG3 ARG 25 3HG ARG 25 4.819 29.248 1.878 190 HD2 ARG 25 2HD ARG 25 5.670 31.268 2.238 191 HD3 ARG 25 3HD ARG 25 4.144 31.829 2.919 192 HE ARG 25 HE ARG 25 5.292 30.408 4.938 193 HH11 ARG 25 1HH1 ARG 25 6.306 33.071 2.938 194 HH12 ARG 25 2HH1 ARG 25 7.326 33.766 4.154 195 HH21 ARG 25 1HH2 ARG 25 6.631 31.313 6.548 196 HH22 ARG 25 2HH2 ARG 25 7.510 32.765 6.207 197 H SER 26 H SER 26 4.229 27.381 0.360 198 HA SER 26 HA SER 26 5.348 29.103 -1.530 199 HB2 SER 26 2HB SER 26 6.534 27.131 -0.723 200 HB3 SER 26 3HB SER 26 5.340 26.075 -1.478 201 HG SER 26 HG SER 26 7.339 26.442 -2.690 202 H GLN 27 H GLN 27 2.666 26.862 -1.772 203 HA GLN 27 HA GLN 27 1.546 28.145 -4.005 204 HB2 GLN 27 2HB GLN 27 3.612 26.788 -4.924 205 HB3 GLN 27 3HB GLN 27 2.500 25.430 -4.810 206 HG2 GLN 27 2HG GLN 27 2.449 26.327 -7.035 207 HG3 GLN 27 3HG GLN 27 0.909 26.645 -6.239 208 HE21 GLN 27 1HE2 GLN 27 4.086 28.227 -6.393 209 HE22 GLN 27 2HE2 GLN 27 3.473 29.798 -6.768 210 HA PRO 28 HA PRO 28 -1.097 25.254 -1.469 211 HB2 PRO 28 2HB PRO 28 -2.872 27.155 -0.688 212 HB3 PRO 28 3HB PRO 28 -1.387 26.803 0.204 213 HG2 PRO 28 2HG PRO 28 -1.947 29.001 -1.749 214 HG3 PRO 28 3HG PRO 28 -1.089 29.074 -0.199 215 HD2 PRO 28 2HD PRO 28 0.204 28.979 -2.577 216 HD3 PRO 28 3HD PRO 28 0.867 28.251 -1.100 217 H PHE 29 H PHE 29 -1.466 24.555 -3.762 218 HA PHE 29 HA PHE 29 -4.191 24.724 -4.419 219 HB2 PHE 29 2HB PHE 29 -3.121 27.012 -5.206 220 HB3 PHE 29 3HB PHE 29 -2.600 26.040 -6.578 221 HD1 PHE 29 HD1 PHE 29 -4.110 25.410 -8.275 222 HD2 PHE 29 HD2 PHE 29 -5.550 27.226 -4.704 223 HE1 PHE 29 HE1 PHE 29 -6.322 25.691 -9.314 224 HE2 PHE 29 HE2 PHE 29 -7.765 27.508 -5.738 225 HZ PHE 29 HZ PHE 29 -8.154 26.740 -8.045 226 H ARG 30 H ARG 30 -2.964 22.509 -4.083 227 HA ARG 30 HA ARG 30 -1.843 21.524 -6.592 228 HB2 ARG 30 2HB ARG 30 -0.744 20.972 -4.430 229 HB3 ARG 30 3HB ARG 30 -2.190 20.090 -3.954 230 HG2 ARG 30 2HG ARG 30 -0.459 18.584 -4.754 231 HG3 ARG 30 3HG ARG 30 -1.872 18.545 -5.811 232 HD2 ARG 30 2HD ARG 30 -0.626 19.118 -7.557 233 HD3 ARG 30 3HD ARG 30 -0.069 20.566 -6.720 234 HE ARG 30 HE ARG 30 1.310 18.225 -5.851 235 HH11 ARG 30 1HH1 ARG 30 1.156 20.618 -8.374 236 HH12 ARG 30 2HH1 ARG 30 2.820 20.443 -8.821 237 HH21 ARG 30 1HH2 ARG 30 3.503 17.985 -6.430 238 HH22 ARG 30 2HH2 ARG 30 4.155 18.945 -7.715 239 H VAL 31 H VAL 31 -3.162 20.726 -8.078 240 HA VAL 31 HA VAL 31 -5.772 19.668 -7.271 241 HB VAL 31 HB VAL 31 -5.682 21.398 -9.055 242 HG11 VAL 31 1HG1 VAL 31 -4.640 19.345 -10.951 243 HG12 VAL 31 2HG1 VAL 31 -4.627 21.105 -11.077 244 HG13 VAL 31 3HG1 VAL 31 -3.502 20.289 -9.991 245 HG21 VAL 31 1HG2 VAL 31 -7.291 20.357 -10.481 246 HG22 VAL 31 2HG2 VAL 31 -6.681 18.749 -10.090 247 HG23 VAL 31 3HG2 VAL 31 -7.511 19.701 -8.859 248 H ILE 32 H ILE 32 -6.357 17.582 -7.543 249 HA ILE 32 HA ILE 32 -4.478 15.788 -8.924 250 HB ILE 32 HB ILE 32 -5.071 14.050 -7.179 251 HG12 ILE 32 2HG1 ILE 32 -6.977 15.678 -6.338 252 HG13 ILE 32 3HG1 ILE 32 -6.143 14.606 -5.217 253 HG21 ILE 32 1HG2 ILE 32 -3.382 16.459 -6.659 254 HG22 ILE 32 2HG2 ILE 32 -3.513 15.192 -5.440 255 HG23 ILE 32 3HG2 ILE 32 -2.893 14.809 -7.046 256 HD11 ILE 32 1HD1 ILE 32 -6.516 17.134 -4.657 257 HD12 ILE 32 2HD1 ILE 32 -5.018 16.317 -4.209 258 HD13 ILE 32 3HD1 ILE 32 -5.068 17.344 -5.642 259 H SER 33 H SER 33 -5.378 14.298 -10.235 260 HA SER 33 HA SER 33 -8.321 14.177 -10.301 261 HB2 SER 33 2HB SER 33 -7.991 13.494 -12.717 262 HB3 SER 33 3HB SER 33 -7.528 15.153 -12.337 263 HG SER 33 HG SER 33 -6.019 13.157 -13.322 264 H ILE 34 H ILE 34 -9.190 12.318 -9.698 265 HA ILE 34 HA ILE 34 -7.798 9.813 -10.300 266 HB ILE 34 HB ILE 34 -9.046 10.257 -7.597 267 HG12 ILE 34 2HG1 ILE 34 -6.435 10.195 -7.003 268 HG13 ILE 34 3HG1 ILE 34 -6.329 10.957 -8.586 269 HG21 ILE 34 1HG2 ILE 34 -8.870 8.016 -7.688 270 HG22 ILE 34 2HG2 ILE 34 -7.676 8.059 -8.984 271 HG23 ILE 34 3HG2 ILE 34 -7.174 8.324 -7.314 272 HD11 ILE 34 1HD1 ILE 34 -6.641 12.864 -7.487 273 HD12 ILE 34 2HD1 ILE 34 -8.332 12.375 -7.375 274 HD13 ILE 34 3HD1 ILE 34 -7.226 12.040 -6.042 275 H ALA 35 H ALA 35 -9.171 7.948 -10.311 276 HA ALA 35 HA ALA 35 -11.696 8.399 -11.469 277 HB1 ALA 35 1HB ALA 35 -11.560 6.244 -12.017 278 HB2 ALA 35 2HB ALA 35 -9.976 6.252 -11.242 279 HB3 ALA 35 3HB ALA 35 -11.399 5.744 -10.333 280 H GLU 36 H GLU 36 -13.789 7.982 -10.698 281 HA GLU 36 HA GLU 36 -14.338 8.874 -8.099 282 HB2 GLU 36 2HB GLU 36 -15.917 8.989 -10.022 283 HB3 GLU 36 3HB GLU 36 -16.150 7.251 -9.893 284 HG2 GLU 36 2HG GLU 36 -17.036 7.546 -7.629 285 HG3 GLU 36 3HG GLU 36 -16.826 9.289 -7.783 286 H GLU 37 H GLU 37 -13.580 5.740 -9.311 287 HA GLU 37 HA GLU 37 -14.290 4.553 -6.709 288 HB2 GLU 37 2HB GLU 37 -14.526 3.552 -9.484 289 HB3 GLU 37 3HB GLU 37 -13.968 2.387 -8.292 290 HG2 GLU 37 2HG GLU 37 -16.057 3.412 -6.965 291 HG3 GLU 37 3HG GLU 37 -16.611 3.648 -8.622 292 H ALA 38 H ALA 38 -11.762 5.841 -8.125 293 HA ALA 38 HA ALA 38 -9.822 3.717 -7.809 294 HB1 ALA 38 1HB ALA 38 -9.084 5.043 -9.497 295 HB2 ALA 38 2HB ALA 38 -9.783 6.507 -8.804 296 HB3 ALA 38 3HB ALA 38 -8.276 5.857 -8.157 297 HA PRO 39 HA PRO 39 -8.684 4.444 -3.632 298 HB2 PRO 39 2HB PRO 39 -6.023 3.914 -3.709 299 HB3 PRO 39 3HB PRO 39 -7.257 2.655 -3.834 300 HG2 PRO 39 2HG PRO 39 -5.683 3.988 -6.004 301 HG3 PRO 39 3HG PRO 39 -6.086 2.272 -5.806 302 HD2 PRO 39 2HD PRO 39 -7.436 3.899 -7.498 303 HD3 PRO 39 3HD PRO 39 -8.212 2.543 -6.654 304 H LEU 40 H LEU 40 -7.644 5.903 -2.229 305 HA LEU 40 HA LEU 40 -7.227 8.499 -3.266 306 HB2 LEU 40 2HB LEU 40 -8.076 8.137 -1.026 307 HB3 LEU 40 3HB LEU 40 -6.576 7.337 -0.561 308 HG LEU 40 HG LEU 40 -5.579 9.712 -1.277 309 HD11 LEU 40 1HD1 LEU 40 -8.218 10.252 -1.576 310 HD12 LEU 40 2HD1 LEU 40 -6.986 11.458 -1.208 311 HD13 LEU 40 3HD1 LEU 40 -7.953 10.760 0.092 312 HD21 LEU 40 1HD2 LEU 40 -6.147 8.340 1.116 313 HD22 LEU 40 2HD2 LEU 40 -6.605 10.024 1.373 314 HD23 LEU 40 3HD2 LEU 40 -4.967 9.624 0.853 315 H THR 41 H THR 41 -5.105 5.836 -2.626 316 HA THR 41 HA THR 41 -2.653 7.024 -2.268 317 HB THR 41 HB THR 41 -3.022 4.577 -2.251 318 HG1 THR 41 HG1 THR 41 -0.889 5.630 -2.632 319 HG21 THR 41 1HG2 THR 41 -3.388 3.308 -4.147 320 HG22 THR 41 2HG2 THR 41 -2.735 4.540 -5.226 321 HG23 THR 41 3HG2 THR 41 -4.332 4.752 -4.509 322 H ALA 42 H ALA 42 -4.567 6.831 -5.180 323 HA ALA 42 HA ALA 42 -2.608 7.413 -7.090 324 HB1 ALA 42 1HB ALA 42 -5.388 7.086 -7.061 325 HB2 ALA 42 2HB ALA 42 -5.098 8.679 -7.761 326 HB3 ALA 42 3HB ALA 42 -4.339 7.254 -8.470 327 H ALA 43 H ALA 43 -4.636 9.575 -5.143 328 HA ALA 43 HA ALA 43 -3.533 11.958 -6.299 329 HB1 ALA 43 1HB ALA 43 -5.677 11.290 -4.511 330 HB2 ALA 43 2HB ALA 43 -4.720 12.615 -3.847 331 HB3 ALA 43 3HB ALA 43 -5.425 12.757 -5.458 332 H LEU 44 H LEU 44 -2.790 9.913 -3.584 333 HA LEU 44 HA LEU 44 -1.360 11.581 -1.926 334 HB2 LEU 44 2HB LEU 44 -1.773 8.865 -2.135 335 HB3 LEU 44 3HB LEU 44 -0.030 9.022 -2.340 336 HG LEU 44 HG LEU 44 -0.021 10.332 -0.177 337 HD11 LEU 44 1HD1 LEU 44 -2.306 9.208 1.005 338 HD12 LEU 44 2HD1 LEU 44 -2.843 9.974 -0.490 339 HD13 LEU 44 3HD1 LEU 44 -1.963 10.914 0.716 340 HD21 LEU 44 1HD2 LEU 44 0.448 8.434 0.956 341 HD22 LEU 44 2HD2 LEU 44 0.296 7.710 -0.646 342 HD23 LEU 44 3HD2 LEU 44 -1.059 7.648 0.484 343 H ARG 45 H ARG 45 -0.462 10.306 -5.045 344 HA ARG 45 HA ARG 45 2.279 10.597 -5.041 345 HB2 ARG 45 2HB ARG 45 0.354 10.070 -6.945 346 HB3 ARG 45 3HB ARG 45 1.043 11.590 -7.499 347 HG2 ARG 45 2HG ARG 45 2.816 9.305 -6.743 348 HG3 ARG 45 3HG ARG 45 2.056 9.375 -8.334 349 HD2 ARG 45 2HD ARG 45 3.531 10.880 -9.047 350 HD3 ARG 45 3HD ARG 45 3.234 11.913 -7.650 351 HE ARG 45 HE ARG 45 4.828 9.919 -6.691 352 HH11 ARG 45 1HH1 ARG 45 5.064 12.213 -9.299 353 HH12 ARG 45 2HH1 ARG 45 6.793 12.309 -9.232 354 HH21 ARG 45 1HH2 ARG 45 7.103 10.036 -6.592 355 HH22 ARG 45 2HH2 ARG 45 7.952 11.069 -7.693 356 H PHE 46 H PHE 46 -0.099 13.073 -6.010 357 HA PHE 46 HA PHE 46 1.958 15.118 -5.978 358 HB2 PHE 46 2HB PHE 46 -1.004 15.258 -6.575 359 HB3 PHE 46 3HB PHE 46 0.101 16.623 -6.694 360 HD1 PHE 46 HD1 PHE 46 2.447 15.464 -7.954 361 HD2 PHE 46 HD2 PHE 46 -1.681 14.765 -8.723 362 HE1 PHE 46 HE1 PHE 46 2.990 14.823 -10.266 363 HE2 PHE 46 HE2 PHE 46 -1.144 14.122 -11.036 364 HZ PHE 46 HZ PHE 46 1.194 14.150 -11.811 365 H ALA 47 H ALA 47 -0.737 14.052 -4.023 366 HA ALA 47 HA ALA 47 -1.067 16.288 -2.383 367 HB1 ALA 47 1HB ALA 47 -2.723 14.912 -1.801 368 HB2 ALA 47 2HB ALA 47 -1.830 13.481 -2.319 369 HB3 ALA 47 3HB ALA 47 -1.559 14.156 -0.712 370 H ALA 48 H ALA 48 1.316 13.721 -2.312 371 HA ALA 48 HA ALA 48 2.333 14.074 0.263 372 HB1 ALA 48 1HB ALA 48 3.297 12.876 -2.248 373 HB2 ALA 48 2HB ALA 48 4.547 13.348 -1.096 374 HB3 ALA 48 3HB ALA 48 3.277 12.224 -0.609 375 H GLU 49 H GLU 49 2.719 15.986 -2.610 376 HA GLU 49 HA GLU 49 5.014 17.435 -1.642 377 HB2 GLU 49 2HB GLU 49 3.175 18.187 -3.915 378 HB3 GLU 49 3HB GLU 49 4.816 18.755 -3.642 379 HG2 GLU 49 2HG GLU 49 3.887 16.072 -4.580 380 HG3 GLU 49 3HG GLU 49 5.033 17.179 -5.333 381 H GLU 50 H GLU 50 1.532 17.899 -1.762 382 HA GLU 50 HA GLU 50 1.415 20.607 -1.083 383 HB2 GLU 50 2HB GLU 50 -0.415 18.400 -1.277 384 HB3 GLU 50 3HB GLU 50 -0.762 19.322 0.179 385 HG2 GLU 50 2HG GLU 50 -0.424 20.657 -2.482 386 HG3 GLU 50 3HG GLU 50 -1.968 19.977 -1.970 387 H PHE 51 H PHE 51 1.855 17.749 0.903 388 HA PHE 51 HA PHE 51 1.881 19.412 3.320 389 HB2 PHE 51 2HB PHE 51 0.846 16.850 2.798 390 HB3 PHE 51 3HB PHE 51 2.248 16.596 3.832 391 HD1 PHE 51 HD1 PHE 51 2.234 18.877 5.597 392 HD2 PHE 51 HD2 PHE 51 -1.037 16.604 4.096 393 HE1 PHE 51 HE1 PHE 51 0.897 19.508 7.564 394 HE2 PHE 51 HE2 PHE 51 -2.379 17.232 6.060 395 HZ PHE 51 HZ PHE 51 -1.413 18.687 7.797 396 H GLY 52 H GLY 52 3.914 17.675 1.161 397 HA2 GLY 52 2HA GLY 52 6.199 17.464 1.063 398 HA3 GLY 52 3HA GLY 52 6.284 18.691 2.319 399 H ILE 53 H ILE 53 4.411 15.940 3.090 400 HA ILE 53 HA ILE 53 6.655 14.564 4.356 401 HB ILE 53 HB ILE 53 5.338 14.374 6.493 402 HG12 ILE 53 2HG1 ILE 53 3.786 16.656 5.252 403 HG13 ILE 53 3HG1 ILE 53 3.155 15.053 5.612 404 HG21 ILE 53 1HG2 ILE 53 7.290 15.912 6.102 405 HG22 ILE 53 2HG2 ILE 53 6.120 17.202 5.828 406 HG23 ILE 53 3HG2 ILE 53 6.193 16.396 7.395 407 HD11 ILE 53 1HD1 ILE 53 3.705 17.328 7.411 408 HD12 ILE 53 2HD1 ILE 53 2.405 16.135 7.445 409 HD13 ILE 53 3HD1 ILE 53 4.008 15.710 8.044 410 H ALA 54 H ALA 54 5.563 12.609 5.695 411 HA ALA 54 HA ALA 54 3.287 11.470 4.312 412 HB1 ALA 54 1HB ALA 54 5.021 10.836 2.782 413 HB2 ALA 54 2HB ALA 54 6.025 10.230 4.100 414 HB3 ALA 54 3HB ALA 54 4.522 9.406 3.686 415 H SER 55 H SER 55 2.446 11.633 6.467 416 HA SER 55 HA SER 55 2.547 9.252 7.924 417 HB2 SER 55 2HB SER 55 4.722 9.811 8.712 418 HB3 SER 55 3HB SER 55 4.260 11.485 9.018 419 HG SER 55 HG SER 55 3.554 9.161 10.457 420 H VAL 56 H VAL 56 2.519 12.567 9.204 421 HA VAL 56 HA VAL 56 0.057 12.172 10.568 422 HB VAL 56 HB VAL 56 0.153 14.650 10.957 423 HG11 VAL 56 1HG1 VAL 56 2.834 13.528 11.622 424 HG12 VAL 56 2HG1 VAL 56 1.709 14.438 12.633 425 HG13 VAL 56 3HG1 VAL 56 1.391 12.743 12.263 426 HG21 VAL 56 1HG2 VAL 56 1.873 14.567 8.740 427 HG22 VAL 56 2HG2 VAL 56 1.450 15.969 9.724 428 HG23 VAL 56 3HG2 VAL 56 2.875 15.010 10.122 429 H ASP 57 H ASP 57 0.830 13.035 7.361 430 HA ASP 57 HA ASP 57 -1.364 14.673 6.706 431 HB2 ASP 57 2HB ASP 57 -0.777 14.327 4.445 432 HB3 ASP 57 3HB ASP 57 0.744 14.230 5.328 433 H SER 58 H SER 58 -1.188 11.368 7.469 434 HA SER 58 HA SER 58 -3.232 10.286 5.892 435 HB2 SER 58 2HB SER 58 -1.531 9.250 7.711 436 HB3 SER 58 3HB SER 58 -3.002 9.303 8.682 437 HG SER 58 HG SER 58 -2.927 7.348 7.598 438 H MET 59 H MET 59 -3.346 12.439 8.575 439 HA MET 59 HA MET 59 -6.216 12.663 8.316 440 HB2 MET 59 2HB MET 59 -5.872 10.827 9.983 441 HB3 MET 59 3HB MET 59 -5.031 11.981 11.011 442 HG2 MET 59 2HG MET 59 -7.038 13.316 11.207 443 HG3 MET 59 3HG MET 59 -7.888 12.239 10.102 444 HE1 MET 59 1HE MET 59 -8.564 9.839 10.597 445 HE2 MET 59 2HE MET 59 -6.951 9.307 11.073 446 HE3 MET 59 3HE MET 59 -8.330 8.993 12.128 447 H ALA 60 H ALA 60 -5.088 14.676 7.497 448 HA ALA 60 HA ALA 60 -5.004 16.625 9.685 449 HB1 ALA 60 1HB ALA 60 -2.803 15.958 7.849 450 HB2 ALA 60 2HB ALA 60 -3.117 17.679 8.070 451 HB3 ALA 60 3HB ALA 60 -2.763 16.661 9.466 452 H ALA 61 H ALA 61 -7.225 16.833 8.721 453 HA ALA 61 HA ALA 61 -7.282 19.117 7.000 454 HB1 ALA 61 1HB ALA 61 -7.000 17.426 5.288 455 HB2 ALA 61 2HB ALA 61 -8.373 16.520 5.924 456 HB3 ALA 61 3HB ALA 61 -8.624 18.109 5.202 457 H THR 62 H THR 62 -9.378 20.070 6.848 458 HA THR 62 HA THR 62 -11.435 18.880 8.575 459 HB THR 62 HB THR 62 -11.796 21.517 9.113 460 HG1 THR 62 HG1 THR 62 -9.765 22.428 9.509 461 HG21 THR 62 1HG2 THR 62 -10.810 19.188 10.490 462 HG22 THR 62 2HG2 THR 62 -11.775 20.528 11.111 463 HG23 THR 62 3HG2 THR 62 -10.015 20.641 11.095 464 H THR 63 H THR 63 -13.548 19.333 8.014 465 HA THR 63 HA THR 63 -13.946 20.196 5.287 466 HB THR 63 HB THR 63 -15.172 18.250 6.265 467 HG1 THR 63 HG1 THR 63 -17.056 18.767 5.172 468 HG21 THR 63 1HG2 THR 63 -17.164 20.012 7.535 469 HG22 THR 63 2HG2 THR 63 -15.638 19.845 8.404 470 HG23 THR 63 3HG2 THR 63 -16.593 18.414 8.015 471 H LYS 64 H LYS 64 -15.706 21.726 4.736 472 HA LYS 64 HA LYS 64 -15.272 24.243 5.883 473 HB2 LYS 64 2HB LYS 64 -17.349 24.899 4.584 474 HB3 LYS 64 3HB LYS 64 -16.049 24.175 3.647 475 HG2 LYS 64 2HG LYS 64 -17.843 22.141 4.587 476 HG3 LYS 64 3HG LYS 64 -18.732 23.401 3.729 477 HD2 LYS 64 2HD LYS 64 -17.976 22.674 1.766 478 HD3 LYS 64 3HD LYS 64 -16.304 22.759 2.327 479 HE2 LYS 64 2HE LYS 64 -17.042 20.488 1.583 480 HE3 LYS 64 3HE LYS 64 -16.417 20.555 3.230 481 HZ1 LYS 64 1HZ LYS 64 -19.282 20.928 2.954 482 HZ2 LYS 64 2HZ LYS 64 -18.410 20.041 4.100 483 HZ3 LYS 64 3HZ LYS 64 -18.711 19.382 2.571 484 H ASP 65 H ASP 65 -17.525 21.719 6.670 485 HA ASP 65 HA ASP 65 -19.260 23.379 8.249 486 HB2 ASP 65 2HB ASP 65 -19.000 20.365 8.261 487 HB3 ASP 65 3HB ASP 65 -20.349 21.307 8.892 488 H GLY 66 H GLY 66 -16.295 21.698 8.754 489 HA2 GLY 66 2HA GLY 66 -15.427 22.817 11.008 490 HA3 GLY 66 3HA GLY 66 -16.588 21.666 11.652 491 H THR 67 H THR 67 -15.886 19.682 12.096 492 HA THR 67 HA THR 67 -13.156 18.995 11.725 493 HB THR 67 HB THR 67 -14.907 16.731 12.308 494 HG1 THR 67 HG1 THR 67 -16.230 17.746 13.601 495 HG21 THR 67 1HG2 THR 67 -12.905 18.064 14.116 496 HG22 THR 67 2HG2 THR 67 -12.413 17.036 12.770 497 HG23 THR 67 3HG2 THR 67 -13.393 16.370 14.076 498 H GLY 68 H GLY 68 -12.175 17.641 10.291 499 HA2 GLY 68 2HA GLY 68 -13.891 16.487 8.178 500 HA3 GLY 68 3HA GLY 68 -12.370 17.290 7.815 501 H ILE 69 H ILE 69 -13.805 14.500 9.432 502 HA ILE 69 HA ILE 69 -11.263 13.186 9.771 503 HB ILE 69 HB ILE 69 -14.073 12.134 10.109 504 HG12 ILE 69 2HG1 ILE 69 -12.848 12.229 12.582 505 HG13 ILE 69 3HG1 ILE 69 -12.262 13.692 11.799 506 HG21 ILE 69 1HG2 ILE 69 -13.019 10.148 9.956 507 HG22 ILE 69 2HG2 ILE 69 -11.432 10.846 10.273 508 HG23 ILE 69 3HG2 ILE 69 -12.531 10.509 11.611 509 HD11 ILE 69 1HD1 ILE 69 -15.174 13.023 11.810 510 HD12 ILE 69 2HD1 ILE 69 -14.410 13.811 13.191 511 HD13 ILE 69 3HD1 ILE 69 -14.390 14.589 11.608 512 H ASN 70 H ASN 70 -10.227 12.086 8.254 513 HA ASN 70 HA ASN 70 -11.752 11.101 5.938 514 HB2 ASN 70 2HB ASN 70 -8.771 11.385 5.910 515 HB3 ASN 70 3HB ASN 70 -9.914 11.495 4.575 516 HD21 ASN 70 1HD2 ASN 70 -8.589 13.154 7.352 517 HD22 ASN 70 2HD2 ASN 70 -9.031 14.748 6.852 518 HA PRO 71 HA PRO 71 -10.514 7.280 8.190 519 HB2 PRO 71 2HB PRO 71 -12.773 5.918 7.551 520 HB3 PRO 71 3HB PRO 71 -12.669 7.007 8.939 521 HG2 PRO 71 2HG PRO 71 -13.816 7.508 6.219 522 HG3 PRO 71 3HG PRO 71 -14.461 7.963 7.807 523 HD2 PRO 71 2HD PRO 71 -13.150 9.714 6.211 524 HD3 PRO 71 3HD PRO 71 -13.079 9.799 7.983 525 H ALA 72 H ALA 72 -12.262 7.374 5.078 526 HA ALA 72 HA ALA 72 -10.431 5.299 4.074 527 HB1 ALA 72 1HB ALA 72 -12.796 5.904 2.455 528 HB2 ALA 72 2HB ALA 72 -12.137 4.351 2.970 529 HB3 ALA 72 3HB ALA 72 -13.155 5.284 4.067 530 H GLN 73 H GLN 73 -11.624 8.528 3.568 531 HA GLN 73 HA GLN 73 -11.090 10.173 2.084 532 HB2 GLN 73 2HB GLN 73 -8.444 8.906 1.556 533 HB3 GLN 73 3HB GLN 73 -8.837 10.590 1.877 534 HG2 GLN 73 2HG GLN 73 -9.466 9.574 4.252 535 HG3 GLN 73 3HG GLN 73 -8.271 8.378 3.755 536 HE21 GLN 73 1HE2 GLN 73 -6.553 8.868 4.959 537 HE22 GLN 73 2HE2 GLN 73 -5.778 10.411 5.005 538 H THR 74 H THR 74 -12.264 7.661 1.042 539 HA THR 74 HA THR 74 -11.088 7.200 -1.536 540 HB THR 74 HB THR 74 -13.906 6.416 -0.889 541 HG1 THR 74 HG1 THR 74 -13.126 4.681 0.326 542 HG21 THR 74 1HG2 THR 74 -12.543 4.266 -1.944 543 HG22 THR 74 2HG2 THR 74 -11.807 5.645 -2.762 544 HG23 THR 74 3HG2 THR 74 -13.550 5.393 -2.851 545 H ALA 75 H ALA 75 -12.301 7.491 -3.565 546 HA ALA 75 HA ALA 75 -13.047 10.170 -3.955 547 HB1 ALA 75 1HB ALA 75 -12.464 9.450 -5.985 548 HB2 ALA 75 2HB ALA 75 -12.814 7.769 -5.582 549 HB3 ALA 75 3HB ALA 75 -14.113 8.837 -6.113 550 H GLY 76 H GLY 76 -14.991 7.225 -3.608 551 HA2 GLY 76 2HA GLY 76 -17.494 8.447 -4.117 552 HA3 GLY 76 3HA GLY 76 -17.244 6.919 -3.284 553 H ASN 77 H ASN 77 -15.659 7.928 -1.144 554 HA ASN 77 HA ASN 77 -17.746 8.815 0.586 555 HB2 ASN 77 2HB ASN 77 -14.957 7.938 0.853 556 HB3 ASN 77 3HB ASN 77 -15.431 9.167 2.022 557 HD21 ASN 77 1HD2 ASN 77 -16.039 5.948 0.839 558 HD22 ASN 77 2HD2 ASN 77 -16.931 5.398 2.213 559 H VAL 78 H VAL 78 -14.603 10.310 -0.209 560 HA VAL 78 HA VAL 78 -15.037 12.785 0.928 561 HB VAL 78 HB VAL 78 -12.877 11.999 -0.043 562 HG11 VAL 78 1HG1 VAL 78 -12.449 11.916 -2.299 563 HG12 VAL 78 2HG1 VAL 78 -14.133 11.391 -2.263 564 HG13 VAL 78 3HG1 VAL 78 -13.736 13.055 -2.695 565 HG21 VAL 78 1HG2 VAL 78 -12.781 14.466 -1.357 566 HG22 VAL 78 2HG2 VAL 78 -14.001 14.648 -0.096 567 HG23 VAL 78 3HG2 VAL 78 -12.368 14.132 0.325 568 H PHE 79 H PHE 79 -16.268 11.501 -2.068 569 HA PHE 79 HA PHE 79 -16.960 13.785 -3.452 570 HB2 PHE 79 2HB PHE 79 -17.276 11.656 -4.488 571 HB3 PHE 79 3HB PHE 79 -18.387 11.135 -3.225 572 HD1 PHE 79 HD1 PHE 79 -20.583 11.032 -3.846 573 HD2 PHE 79 HD2 PHE 79 -18.093 14.008 -5.596 574 HE1 PHE 79 HE1 PHE 79 -22.484 11.827 -5.190 575 HE2 PHE 79 HE2 PHE 79 -19.991 14.808 -6.943 576 HZ PHE 79 HZ PHE 79 -22.190 13.718 -6.740 577 H MET 80 H MET 80 -18.881 12.081 -0.989 578 HA MET 80 HA MET 80 -20.755 14.322 -0.909 579 HB2 MET 80 2HB MET 80 -20.922 11.485 -0.388 580 HB3 MET 80 3HB MET 80 -21.523 12.402 0.987 581 HG2 MET 80 2HG MET 80 -23.106 13.552 -0.410 582 HG3 MET 80 3HG MET 80 -22.444 12.783 -1.851 583 HE1 MET 80 1HE MET 80 -24.278 10.253 -2.677 584 HE2 MET 80 2HE MET 80 -25.597 11.290 -2.134 585 HE3 MET 80 3HE MET 80 -24.140 12.005 -2.826 586 H LYS 81 H LYS 81 -18.081 13.034 0.794 587 HA LYS 81 HA LYS 81 -18.665 13.978 3.395 588 HB2 LYS 81 2HB LYS 81 -16.788 12.351 2.474 589 HB3 LYS 81 3HB LYS 81 -15.847 13.836 2.417 590 HG2 LYS 81 2HG LYS 81 -15.444 13.701 4.586 591 HG3 LYS 81 3HG LYS 81 -17.173 13.677 4.937 592 HD2 LYS 81 2HD LYS 81 -15.765 11.198 4.014 593 HD3 LYS 81 3HD LYS 81 -15.708 11.688 5.709 594 HE2 LYS 81 2HE LYS 81 -18.399 11.829 4.676 595 HE3 LYS 81 3HE LYS 81 -17.714 10.223 4.433 596 HZ1 LYS 81 1HZ LYS 81 -17.007 10.932 6.990 597 HZ2 LYS 81 2HZ LYS 81 -18.211 9.830 6.544 598 HZ3 LYS 81 3HZ LYS 81 -18.611 11.448 6.837 599 H TYR 82 H TYR 82 -16.492 15.324 0.903 600 HA TYR 82 HA TYR 82 -16.951 17.982 2.092 601 HB2 TYR 82 2HB TYR 82 -14.435 17.234 0.619 602 HB3 TYR 82 3HB TYR 82 -14.708 18.594 1.703 603 HD1 TYR 82 HD1 TYR 82 -12.869 15.791 1.496 604 HD2 TYR 82 HD2 TYR 82 -15.749 17.518 4.109 605 HE1 TYR 82 HE1 TYR 82 -11.953 14.478 3.363 606 HE2 TYR 82 HE2 TYR 82 -14.840 16.210 5.984 607 HH TYR 82 HH TYR 82 -13.488 13.895 6.127 608 H GLY 83 H GLY 83 -16.737 16.042 -0.785 609 HA2 GLY 83 2HA GLY 83 -17.207 16.485 -2.990 610 HA3 GLY 83 3HA GLY 83 -18.366 17.637 -2.345 611 H GLN 84 H GLN 84 -14.891 17.306 -3.035 612 HA GLN 84 HA GLN 84 -13.329 18.823 -3.707 613 HB2 GLN 84 2HB GLN 84 -15.776 19.754 -5.200 614 HB3 GLN 84 3HB GLN 84 -14.191 20.476 -5.447 615 HG2 GLN 84 2HG GLN 84 -13.530 18.809 -6.753 616 HG3 GLN 84 3HG GLN 84 -14.098 17.589 -5.614 617 HE21 GLN 84 1HE2 GLN 84 -15.189 16.211 -6.858 618 HE22 GLN 84 2HE2 GLN 84 -16.503 16.632 -7.897 619 H GLU 85 H GLU 85 -13.790 19.435 -1.249 620 HA GLU 85 HA GLU 85 -13.355 22.204 -1.042 621 HB2 GLU 85 2HB GLU 85 -15.933 21.947 -1.459 622 HB3 GLU 85 3HB GLU 85 -15.965 21.491 0.239 623 HG2 GLU 85 2HG GLU 85 -14.998 23.608 0.870 624 HG3 GLU 85 3HG GLU 85 -14.826 24.065 -0.824 625 H ILE 86 H ILE 86 -11.626 20.991 0.046 626 HA ILE 86 HA ILE 86 -12.281 20.622 2.882 627 HB ILE 86 HB ILE 86 -12.177 18.376 1.985 628 HG12 ILE 86 2HG1 ILE 86 -9.657 19.082 3.506 629 HG13 ILE 86 3HG1 ILE 86 -11.233 18.759 4.220 630 HG21 ILE 86 1HG2 ILE 86 -9.403 19.049 1.015 631 HG22 ILE 86 2HG2 ILE 86 -10.233 17.503 0.850 632 HG23 ILE 86 3HG2 ILE 86 -10.830 18.920 -0.013 633 HD11 ILE 86 1HD1 ILE 86 -9.161 16.930 3.499 634 HD12 ILE 86 2HD1 ILE 86 -10.661 16.633 4.378 635 HD13 ILE 86 3HD1 ILE 86 -10.638 16.541 2.617 636 H ARG 87 H ARG 87 -10.686 21.232 4.316 637 HA ARG 87 HA ARG 87 -8.471 22.748 3.134 638 HB2 ARG 87 2HB ARG 87 -10.137 23.817 4.747 639 HB3 ARG 87 3HB ARG 87 -9.380 22.850 6.005 640 HG2 ARG 87 2HG ARG 87 -8.475 25.097 5.980 641 HG3 ARG 87 3HG ARG 87 -7.234 23.922 5.541 642 HD2 ARG 87 2HD ARG 87 -7.137 24.631 3.369 643 HD3 ARG 87 3HD ARG 87 -8.816 25.169 3.357 644 HE ARG 87 HE ARG 87 -6.534 26.746 3.950 645 HH11 ARG 87 1HH1 ARG 87 -9.867 26.271 4.835 646 HH12 ARG 87 2HH1 ARG 87 -10.099 27.908 5.353 647 HH21 ARG 87 1HH2 ARG 87 -6.827 28.904 4.629 648 HH22 ARG 87 2HH2 ARG 87 -8.369 29.405 5.234 649 H LEU 88 H LEU 88 -6.348 22.455 3.782 650 HA LEU 88 HA LEU 88 -5.819 19.899 5.132 651 HB2 LEU 88 2HB LEU 88 -4.443 21.446 3.007 652 HB3 LEU 88 3HB LEU 88 -3.441 20.497 4.103 653 HG LEU 88 HG LEU 88 -4.024 19.365 1.951 654 HD11 LEU 88 1HD1 LEU 88 -3.906 18.354 4.544 655 HD12 LEU 88 2HD1 LEU 88 -3.691 17.460 3.040 656 HD13 LEU 88 3HD1 LEU 88 -5.282 17.543 3.796 657 HD21 LEU 88 1HD2 LEU 88 -6.234 18.524 1.596 658 HD22 LEU 88 2HD2 LEU 88 -6.348 20.267 1.845 659 HD23 LEU 88 3HD2 LEU 88 -6.782 19.158 3.148 660 H ILE 89 H ILE 89 -5.375 20.119 7.221 661 HA ILE 89 HA ILE 89 -3.500 22.233 8.032 662 HB ILE 89 HB ILE 89 -5.955 21.423 9.593 663 HG12 ILE 89 2HG1 ILE 89 -5.328 24.057 8.245 664 HG13 ILE 89 3HG1 ILE 89 -6.405 22.834 7.579 665 HG21 ILE 89 1HG2 ILE 89 -5.318 23.149 11.161 666 HG22 ILE 89 2HG2 ILE 89 -4.001 21.990 10.983 667 HG23 ILE 89 3HG2 ILE 89 -3.910 23.558 10.181 668 HD11 ILE 89 1HD1 ILE 89 -7.708 24.539 8.632 669 HD12 ILE 89 2HD1 ILE 89 -7.822 23.066 9.596 670 HD13 ILE 89 3HD1 ILE 89 -6.782 24.389 10.125 671 HA PRO 90 HA PRO 90 -1.353 18.803 9.819 672 HB2 PRO 90 2HB PRO 90 0.430 20.236 11.282 673 HB3 PRO 90 3HB PRO 90 0.552 20.055 9.528 674 HG2 PRO 90 2HG PRO 90 -0.546 22.336 11.126 675 HG3 PRO 90 3HG PRO 90 0.500 22.374 9.694 676 HD2 PRO 90 2HD PRO 90 -2.168 22.811 9.560 677 HD3 PRO 90 3HD PRO 90 -1.260 22.041 8.244 678 H ARG 91 H ARG 91 -2.650 17.751 11.252 679 HA ARG 91 HA ARG 91 -2.922 18.941 13.935 680 HB2 ARG 91 2HB ARG 91 -4.925 17.977 12.170 681 HB3 ARG 91 3HB ARG 91 -4.831 16.852 13.518 682 HG2 ARG 91 2HG ARG 91 -4.906 19.754 14.132 683 HG3 ARG 91 3HG ARG 91 -6.390 18.978 13.577 684 HD2 ARG 91 2HD ARG 91 -5.769 17.186 15.380 685 HD3 ARG 91 3HD ARG 91 -4.807 18.498 16.061 686 HE ARG 91 HE ARG 91 -7.667 18.257 16.080 687 HH11 ARG 91 1HH1 ARG 91 -4.988 20.477 16.201 688 HH12 ARG 91 2HH1 ARG 91 -5.881 21.714 17.023 689 HH21 ARG 91 1HH2 ARG 91 -8.854 19.877 17.162 690 HH22 ARG 91 2HH2 ARG 91 -8.079 21.371 17.570 691 H ASP 92 H ASP 92 -3.034 17.375 15.717 692 HA ASP 92 HA ASP 92 -2.196 15.643 16.930 693 HB2 ASP 92 2HB ASP 92 -3.468 14.416 14.956 694 HB3 ASP 92 3HB ASP 92 -1.832 13.952 14.495 695 H ARG 93 H ARG 93 -0.423 17.616 15.862 696 HA ARG 93 HA ARG 93 2.066 16.256 16.292 697 HB2 ARG 93 2HB ARG 93 1.398 16.075 13.753 698 HB3 ARG 93 3HB ARG 93 1.957 17.742 13.698 699 HG2 ARG 93 2HG ARG 93 4.144 17.083 14.462 700 HG3 ARG 93 3HG ARG 93 3.599 15.419 14.682 701 HD2 ARG 93 2HD ARG 93 3.964 14.944 12.540 702 HD3 ARG 93 3HD ARG 93 3.026 16.341 12.013 703 HE ARG 93 HE ARG 93 4.989 17.416 11.592 704 HH11 ARG 93 1HH1 ARG 93 5.600 14.853 13.867 705 HH12 ARG 93 2HH1 ARG 93 7.316 15.097 13.881 706 HH21 ARG 93 1HH2 ARG 93 7.245 17.748 11.601 707 HH22 ARG 93 2HH2 ARG 93 8.250 16.745 12.592 708 H VAL 94 H VAL 94 0.397 18.490 17.336 709 HA VAL 94 HA VAL 94 2.561 20.411 17.616 710 HB VAL 94 HB VAL 94 -0.177 21.260 16.658 711 HG11 VAL 94 1HG1 VAL 94 0.278 23.132 17.793 712 HG12 VAL 94 2HG1 VAL 94 1.969 22.685 18.032 713 HG13 VAL 94 3HG1 VAL 94 1.462 23.452 16.526 714 HG21 VAL 94 1HG2 VAL 94 2.524 21.391 15.321 715 HG22 VAL 94 2HG2 VAL 94 1.174 20.357 14.855 716 HG23 VAL 94 3HG2 VAL 94 1.041 22.108 14.691 717 H GLY 95 H GLY 95 -0.941 20.334 18.315 718 HA2 GLY 95 2HA GLY 95 -0.362 20.134 21.169 719 HA3 GLY 95 3HA GLY 95 -1.168 21.600 20.633 Start of MODEL 14 1 H1 MET 1 H MET 1 5.336 4.891 3.789 2 HA MET 1 HA MET 1 6.789 3.995 2.159 3 HB2 MET 1 2HB MET 1 4.775 2.181 3.264 4 HB3 MET 1 3HB MET 1 5.515 1.582 1.785 5 HG2 MET 1 2HG MET 1 7.675 1.626 2.732 6 HG3 MET 1 3HG MET 1 7.126 2.570 4.115 7 HE1 MET 1 1HE MET 1 8.165 1.342 5.717 8 HE2 MET 1 2HE MET 1 7.580 -0.157 6.437 9 HE3 MET 1 3HE MET 1 8.748 -0.211 5.117 10 H SER 2 H SER 2 3.409 3.412 1.192 11 HA SER 2 HA SER 2 2.382 3.423 -0.838 12 HB2 SER 2 2HB SER 2 3.835 5.705 -0.780 13 HB3 SER 2 3HB SER 2 4.543 4.927 -2.195 14 HG SER 2 HG SER 2 2.774 6.157 -2.830 15 H GLN 3 H GLN 3 3.025 3.151 -3.373 16 HA GLN 3 HA GLN 3 5.259 1.619 -4.053 17 HB2 GLN 3 2HB GLN 3 3.560 0.139 -2.469 18 HB3 GLN 3 3HB GLN 3 3.069 -0.323 -4.094 19 HG2 GLN 3 2HG GLN 3 5.970 -0.293 -3.529 20 HG3 GLN 3 3HG GLN 3 5.012 -1.555 -2.756 21 HE21 GLN 3 1HE2 GLN 3 6.799 -0.836 -5.402 22 HE22 GLN 3 2HE2 GLN 3 6.143 -1.976 -6.521 23 H ASN 4 H ASN 4 1.855 2.285 -4.593 24 HA ASN 4 HA ASN 4 2.249 1.918 -7.483 25 HB2 ASN 4 2HB ASN 4 0.335 0.759 -6.166 26 HB3 ASN 4 3HB ASN 4 -0.423 2.349 -6.173 27 HD21 ASN 4 1HD2 ASN 4 -2.122 1.708 -7.456 28 HD22 ASN 4 2HD2 ASN 4 -1.940 1.338 -9.134 29 H GLU 5 H GLU 5 2.957 3.767 -8.356 30 HA GLU 5 HA GLU 5 1.410 6.208 -7.805 31 HB2 GLU 5 2HB GLU 5 3.580 7.477 -8.144 32 HB3 GLU 5 3HB GLU 5 3.437 6.578 -6.639 33 HG2 GLU 5 2HG GLU 5 4.829 4.814 -7.509 34 HG3 GLU 5 3HG GLU 5 4.895 5.603 -9.084 35 H GLU 6 H GLU 6 0.653 4.700 -9.862 36 HA GLU 6 HA GLU 6 1.010 6.400 -12.100 37 HB2 GLU 6 2HB GLU 6 2.066 4.740 -13.620 38 HB3 GLU 6 3HB GLU 6 3.141 5.303 -12.348 39 HG2 GLU 6 2HG GLU 6 2.722 3.256 -11.085 40 HG3 GLU 6 3HG GLU 6 1.644 2.691 -12.360 41 H ALA 7 H ALA 7 -1.120 5.238 -10.561 42 HA ALA 7 HA ALA 7 -2.385 3.074 -11.784 43 HB1 ALA 7 1HB ALA 7 -2.962 4.803 -9.701 44 HB2 ALA 7 2HB ALA 7 -4.271 5.068 -10.853 45 HB3 ALA 7 3HB ALA 7 -3.949 3.445 -10.243 46 HA PRO 8 HA PRO 8 -4.007 4.504 -15.601 47 HB2 PRO 8 2HB PRO 8 -6.467 3.358 -15.657 48 HB3 PRO 8 3HB PRO 8 -4.973 2.436 -15.857 49 HG2 PRO 8 2HG PRO 8 -6.673 2.783 -13.418 50 HG3 PRO 8 3HG PRO 8 -5.903 1.314 -14.045 51 HD2 PRO 8 2HD PRO 8 -4.858 2.746 -11.998 52 HD3 PRO 8 3HD PRO 8 -3.847 1.862 -13.159 53 H ALA 9 H ALA 9 -4.898 6.345 -16.311 54 HA ALA 9 HA ALA 9 -7.251 7.438 -14.964 55 HB1 ALA 9 1HB ALA 9 -5.116 8.389 -13.957 56 HB2 ALA 9 2HB ALA 9 -4.886 9.210 -15.502 57 HB3 ALA 9 3HB ALA 9 -6.318 9.548 -14.529 58 H ARG 10 H ARG 10 -7.040 6.193 -17.486 59 HA ARG 10 HA ARG 10 -7.554 8.480 -19.272 60 HB2 ARG 10 2HB ARG 10 -6.001 5.981 -19.718 61 HB3 ARG 10 3HB ARG 10 -6.958 6.592 -21.061 62 HG2 ARG 10 2HG ARG 10 -5.528 8.252 -21.467 63 HG3 ARG 10 3HG ARG 10 -5.372 8.656 -19.756 64 HD2 ARG 10 2HD ARG 10 -3.576 7.284 -19.454 65 HD3 ARG 10 3HD ARG 10 -4.098 6.148 -20.698 66 HE ARG 10 HE ARG 10 -2.326 8.345 -21.034 67 HH11 ARG 10 1HH1 ARG 10 -4.812 6.512 -22.640 68 HH12 ARG 10 2HH1 ARG 10 -4.223 6.861 -24.231 69 HH21 ARG 10 1HH2 ARG 10 -1.541 8.812 -23.124 70 HH22 ARG 10 2HH2 ARG 10 -2.362 8.168 -24.506 71 H SER 11 H SER 11 -8.188 4.978 -18.989 72 HA SER 11 HA SER 11 -10.866 5.449 -20.102 73 HB2 SER 11 2HB SER 11 -9.316 2.863 -19.820 74 HB3 SER 11 3HB SER 11 -10.906 3.029 -20.565 75 HG SER 11 HG SER 11 -9.850 3.441 -22.324 76 H GLY 12 H GLY 12 -12.711 4.571 -19.104 77 HA2 GLY 12 2HA GLY 12 -13.853 3.433 -17.366 78 HA3 GLY 12 3HA GLY 12 -12.374 3.451 -16.417 79 H GLY 13 H GLY 13 -12.994 4.438 -14.575 80 HA2 GLY 13 2HA GLY 13 -14.579 6.896 -14.747 81 HA3 GLY 13 3HA GLY 13 -14.257 5.972 -13.287 82 H LYS 14 H LYS 14 -13.902 8.874 -14.046 83 HA LYS 14 HA LYS 14 -11.190 9.117 -12.969 84 HB2 LYS 14 2HB LYS 14 -11.292 9.420 -15.530 85 HB3 LYS 14 3HB LYS 14 -12.111 10.937 -15.180 86 HG2 LYS 14 2HG LYS 14 -10.204 11.755 -13.976 87 HG3 LYS 14 3HG LYS 14 -9.392 10.195 -14.122 88 HD2 LYS 14 2HD LYS 14 -9.275 10.451 -16.532 89 HD3 LYS 14 3HD LYS 14 -10.171 11.969 -16.436 90 HE2 LYS 14 2HE LYS 14 -7.613 11.613 -14.921 91 HE3 LYS 14 3HE LYS 14 -7.585 12.024 -16.635 92 HZ1 LYS 14 1HZ LYS 14 -7.488 14.013 -15.312 93 HZ2 LYS 14 2HZ LYS 14 -8.894 13.585 -14.474 94 HZ3 LYS 14 3HZ LYS 14 -8.974 13.963 -16.121 95 H VAL 15 H VAL 15 -10.926 10.758 -11.527 96 HA VAL 15 HA VAL 15 -12.950 12.836 -11.296 97 HB VAL 15 HB VAL 15 -13.827 10.992 -9.907 98 HG11 VAL 15 1HG1 VAL 15 -11.200 11.300 -8.465 99 HG12 VAL 15 2HG1 VAL 15 -12.597 10.457 -7.791 100 HG13 VAL 15 3HG1 VAL 15 -11.830 9.859 -9.263 101 HG21 VAL 15 1HG2 VAL 15 -14.235 12.298 -7.918 102 HG22 VAL 15 2HG2 VAL 15 -12.833 13.314 -8.256 103 HG23 VAL 15 3HG2 VAL 15 -14.235 13.362 -9.324 104 H THR 16 H THR 16 -12.270 14.650 -10.124 105 HA THR 16 HA THR 16 -9.475 14.627 -9.206 106 HB THR 16 HB THR 16 -9.625 15.624 -11.491 107 HG1 THR 16 HG1 THR 16 -7.974 16.699 -10.742 108 HG21 THR 16 1HG2 THR 16 -11.939 16.656 -10.929 109 HG22 THR 16 2HG2 THR 16 -10.823 17.564 -11.950 110 HG23 THR 16 3HG2 THR 16 -10.996 17.979 -10.245 111 H PHE 17 H PHE 17 -8.954 16.158 -7.595 112 HA PHE 17 HA PHE 17 -11.195 17.624 -6.405 113 HB2 PHE 17 2HB PHE 17 -9.308 15.932 -4.760 114 HB3 PHE 17 3HB PHE 17 -10.727 16.807 -4.193 115 HD1 PHE 17 HD1 PHE 17 -12.934 16.128 -5.635 116 HD2 PHE 17 HD2 PHE 17 -9.543 13.665 -4.894 117 HE1 PHE 17 HE1 PHE 17 -14.315 14.124 -5.996 118 HE2 PHE 17 HE2 PHE 17 -10.918 11.657 -5.254 119 HZ PHE 17 HZ PHE 17 -13.307 11.885 -5.807 120 H ARG 18 H ARG 18 -10.524 19.301 -4.902 121 HA ARG 18 HA ARG 18 -7.834 20.311 -5.545 122 HB2 ARG 18 2HB ARG 18 -10.476 21.625 -5.221 123 HB3 ARG 18 3HB ARG 18 -9.075 22.506 -4.628 124 HG2 ARG 18 2HG ARG 18 -8.349 22.984 -6.690 125 HG3 ARG 18 3HG ARG 18 -8.739 21.377 -7.307 126 HD2 ARG 18 2HD ARG 18 -10.909 23.343 -6.680 127 HD3 ARG 18 3HD ARG 18 -10.035 23.430 -8.209 128 HE ARG 18 HE ARG 18 -11.084 20.819 -7.597 129 HH11 ARG 18 1HH1 ARG 18 -11.725 23.909 -9.067 130 HH12 ARG 18 2HH1 ARG 18 -12.964 23.300 -10.114 131 HH21 ARG 18 1HH2 ARG 18 -12.714 20.006 -8.970 132 HH22 ARG 18 2HH2 ARG 18 -13.526 21.080 -10.058 133 H ILE 19 H ILE 19 -6.412 20.624 -3.949 134 HA ILE 19 HA ILE 19 -7.380 20.353 -1.179 135 HB ILE 19 HB ILE 19 -4.573 19.797 -2.129 136 HG12 ILE 19 2HG1 ILE 19 -6.143 18.262 -3.241 137 HG13 ILE 19 3HG1 ILE 19 -5.146 17.417 -2.062 138 HG21 ILE 19 1HG2 ILE 19 -5.828 19.970 0.436 139 HG22 ILE 19 2HG2 ILE 19 -5.261 18.323 0.165 140 HG23 ILE 19 3HG2 ILE 19 -4.135 19.675 0.043 141 HD11 ILE 19 1HD1 ILE 19 -6.916 16.776 -0.883 142 HD12 ILE 19 2HD1 ILE 19 -7.645 18.382 -0.940 143 HD13 ILE 19 3HD1 ILE 19 -7.872 17.262 -2.283 144 H ILE 20 H ILE 20 -7.014 21.960 0.222 145 HA ILE 20 HA ILE 20 -5.224 24.143 -0.626 146 HB ILE 20 HB ILE 20 -7.762 24.325 0.999 147 HG12 ILE 20 2HG1 ILE 20 -8.239 25.965 -1.002 148 HG13 ILE 20 3HG1 ILE 20 -7.013 25.003 -1.821 149 HG21 ILE 20 1HG2 ILE 20 -5.769 26.461 0.258 150 HG22 ILE 20 2HG2 ILE 20 -7.354 26.763 0.966 151 HG23 ILE 20 3HG2 ILE 20 -6.136 25.873 1.879 152 HD11 ILE 20 1HD1 ILE 20 -8.417 23.310 -2.144 153 HD12 ILE 20 2HD1 ILE 20 -9.031 23.386 -0.492 154 HD13 ILE 20 3HD1 ILE 20 -9.691 24.456 -1.729 155 H LEU 21 H LEU 21 -3.394 23.887 0.503 156 HA LEU 21 HA LEU 21 -3.439 22.927 3.235 157 HB2 LEU 21 2HB LEU 21 -1.570 22.961 1.118 158 HB3 LEU 21 3HB LEU 21 -0.871 23.895 2.438 159 HG LEU 21 HG LEU 21 -0.100 21.641 2.618 160 HD11 LEU 21 1HD1 LEU 21 -2.274 22.138 4.647 161 HD12 LEU 21 2HD1 LEU 21 -0.630 22.772 4.714 162 HD13 LEU 21 3HD1 LEU 21 -0.911 21.035 4.836 163 HD21 LEU 21 1HD2 LEU 21 -2.871 21.017 1.908 164 HD22 LEU 21 2HD2 LEU 21 -2.206 20.005 3.191 165 HD23 LEU 21 3HD2 LEU 21 -1.391 20.099 1.629 166 H THR 22 H THR 22 -2.501 24.075 5.009 167 HA THR 22 HA THR 22 -3.019 26.947 4.855 168 HB THR 22 HB THR 22 -2.361 25.424 7.368 169 HG1 THR 22 HG1 THR 22 -4.529 24.939 7.568 170 HG21 THR 22 1HG2 THR 22 -3.001 27.284 8.468 171 HG22 THR 22 2HG2 THR 22 -4.342 27.593 7.365 172 HG23 THR 22 3HG2 THR 22 -2.708 28.089 6.927 173 H SER 23 H SER 23 -0.409 24.735 5.003 174 HA SER 23 HA SER 23 1.456 26.807 5.909 175 HB2 SER 23 2HB SER 23 1.619 24.612 7.011 176 HB3 SER 23 3HB SER 23 1.914 23.848 5.449 177 HG SER 23 HG SER 23 3.929 24.250 5.874 178 H GLU 24 H GLU 24 0.309 25.305 3.087 179 HA GLU 24 HA GLU 24 2.716 25.881 1.545 180 HB2 GLU 24 2HB GLU 24 1.093 23.810 1.317 181 HB3 GLU 24 3HB GLU 24 0.183 24.913 0.293 182 HG2 GLU 24 2HG GLU 24 1.682 23.518 -1.014 183 HG3 GLU 24 3HG GLU 24 2.122 25.221 -1.135 184 H ARG 25 H ARG 25 1.962 28.215 2.428 185 HA ARG 25 HA ARG 25 -0.060 29.583 1.036 186 HB2 ARG 25 2HB ARG 25 2.364 30.418 2.578 187 HB3 ARG 25 3HB ARG 25 1.489 31.620 1.640 188 HG2 ARG 25 2HG ARG 25 -0.305 30.020 3.242 189 HG3 ARG 25 3HG ARG 25 0.937 30.796 4.226 190 HD2 ARG 25 2HD ARG 25 -0.784 32.226 2.206 191 HD3 ARG 25 3HD ARG 25 -1.125 32.159 3.934 192 HE ARG 25 HE ARG 25 1.501 33.145 3.350 193 HH11 ARG 25 1HH1 ARG 25 -1.861 34.010 3.614 194 HH12 ARG 25 2HH1 ARG 25 -1.540 35.678 3.953 195 HH21 ARG 25 1HH2 ARG 25 1.936 35.339 3.796 196 HH22 ARG 25 2HH2 ARG 25 0.620 36.433 4.055 197 H SER 26 H SER 26 2.995 28.476 0.024 198 HA SER 26 HA SER 26 3.749 30.390 -1.860 199 HB2 SER 26 2HB SER 26 4.680 27.894 -1.059 200 HB3 SER 26 3HB SER 26 4.276 27.671 -2.761 201 HG SER 26 HG SER 26 6.411 28.422 -2.509 202 H GLN 27 H GLN 27 1.323 27.884 -1.993 203 HA GLN 27 HA GLN 27 -0.099 29.055 -4.091 204 HB2 GLN 27 2HB GLN 27 0.324 27.245 -5.832 205 HB3 GLN 27 3HB GLN 27 1.584 28.455 -5.631 206 HG2 GLN 27 2HG GLN 27 2.997 26.965 -4.510 207 HG3 GLN 27 3HG GLN 27 1.690 25.821 -4.208 208 HE21 GLN 27 1HE2 GLN 27 4.306 25.469 -5.506 209 HE22 GLN 27 2HE2 GLN 27 3.965 24.821 -7.071 210 HA PRO 28 HA PRO 28 -2.111 25.694 -1.554 211 HB2 PRO 28 2HB PRO 28 -4.077 27.277 -0.555 212 HB3 PRO 28 3HB PRO 28 -2.497 27.106 0.217 213 HG2 PRO 28 2HG PRO 28 -3.506 29.285 -1.570 214 HG3 PRO 28 3HG PRO 28 -2.557 29.412 -0.078 215 HD2 PRO 28 2HD PRO 28 -1.440 29.617 -2.536 216 HD3 PRO 28 3HD PRO 28 -0.574 28.926 -1.148 217 H PHE 29 H PHE 29 -2.526 25.085 -3.879 218 HA PHE 29 HA PHE 29 -5.278 24.832 -4.342 219 HB2 PHE 29 2HB PHE 29 -4.625 27.329 -5.018 220 HB3 PHE 29 3HB PHE 29 -4.155 26.531 -6.515 221 HD1 PHE 29 HD1 PHE 29 -5.789 25.620 -8.004 222 HD2 PHE 29 HD2 PHE 29 -6.956 27.329 -4.284 223 HE1 PHE 29 HE1 PHE 29 -8.133 25.639 -8.752 224 HE2 PHE 29 HE2 PHE 29 -9.302 27.350 -5.026 225 HZ PHE 29 HZ PHE 29 -9.893 26.503 -7.262 226 H ARG 30 H ARG 30 -3.494 22.915 -4.264 227 HA ARG 30 HA ARG 30 -2.570 22.304 -6.964 228 HB2 ARG 30 2HB ARG 30 -1.009 21.909 -5.133 229 HB3 ARG 30 3HB ARG 30 -2.170 20.849 -4.345 230 HG2 ARG 30 2HG ARG 30 -0.582 19.454 -5.391 231 HG3 ARG 30 3HG ARG 30 -2.041 19.377 -6.381 232 HD2 ARG 30 2HD ARG 30 -0.716 19.850 -8.113 233 HD3 ARG 30 3HD ARG 30 -0.654 21.490 -7.470 234 HE ARG 30 HE ARG 30 1.307 19.703 -6.348 235 HH11 ARG 30 1HH1 ARG 30 0.581 21.947 -8.908 236 HH12 ARG 30 2HH1 ARG 30 2.243 22.303 -9.244 237 HH21 ARG 30 1HH2 ARG 30 3.499 20.164 -6.780 238 HH22 ARG 30 2HH2 ARG 30 3.902 21.288 -8.033 239 H VAL 31 H VAL 31 -3.788 21.178 -8.316 240 HA VAL 31 HA VAL 31 -6.110 19.734 -7.325 241 HB VAL 31 HB VAL 31 -5.238 20.090 -10.193 242 HG11 VAL 31 1HG1 VAL 31 -7.627 19.685 -10.662 243 HG12 VAL 31 2HG1 VAL 31 -6.845 18.308 -9.884 244 HG13 VAL 31 3HG1 VAL 31 -7.890 19.376 -8.946 245 HG21 VAL 31 1HG2 VAL 31 -7.146 21.864 -10.071 246 HG22 VAL 31 2HG2 VAL 31 -6.749 21.894 -8.353 247 HG23 VAL 31 3HG2 VAL 31 -5.515 22.288 -9.550 248 H ILE 32 H ILE 32 -6.377 17.564 -7.355 249 HA ILE 32 HA ILE 32 -4.141 15.947 -8.392 250 HB ILE 32 HB ILE 32 -4.584 14.313 -6.620 251 HG12 ILE 32 2HG1 ILE 32 -6.011 15.484 -4.660 252 HG13 ILE 32 3HG1 ILE 32 -6.822 16.180 -6.058 253 HG21 ILE 32 1HG2 ILE 32 -3.283 16.731 -6.382 254 HG22 ILE 32 2HG2 ILE 32 -4.267 16.650 -4.922 255 HG23 ILE 32 3HG2 ILE 32 -3.127 15.355 -5.290 256 HD11 ILE 32 1HD1 ILE 32 -7.934 14.304 -6.419 257 HD12 ILE 32 2HD1 ILE 32 -6.450 13.351 -6.403 258 HD13 ILE 32 3HD1 ILE 32 -7.291 13.702 -4.892 259 H SER 33 H SER 33 -4.615 14.197 -9.624 260 HA SER 33 HA SER 33 -7.464 13.740 -10.215 261 HB2 SER 33 2HB SER 33 -6.439 12.691 -12.370 262 HB3 SER 33 3HB SER 33 -6.516 14.448 -12.228 263 HG SER 33 HG SER 33 -4.330 12.770 -12.279 264 H ILE 34 H ILE 34 -8.322 11.789 -9.859 265 HA ILE 34 HA ILE 34 -6.638 9.427 -9.719 266 HB ILE 34 HB ILE 34 -7.484 8.733 -7.523 267 HG12 ILE 34 2HG1 ILE 34 -8.645 11.525 -7.398 268 HG13 ILE 34 3HG1 ILE 34 -9.569 10.032 -7.520 269 HG21 ILE 34 1HG2 ILE 34 -5.336 10.051 -7.860 270 HG22 ILE 34 2HG2 ILE 34 -6.220 11.442 -7.234 271 HG23 ILE 34 3HG2 ILE 34 -5.997 10.013 -6.225 272 HD11 ILE 34 1HD1 ILE 34 -9.664 10.025 -5.311 273 HD12 ILE 34 2HD1 ILE 34 -7.933 9.686 -5.298 274 HD13 ILE 34 3HD1 ILE 34 -8.506 11.350 -5.198 275 H ALA 35 H ALA 35 -7.921 7.427 -9.523 276 HA ALA 35 HA ALA 35 -10.198 7.523 -11.240 277 HB1 ALA 35 1HB ALA 35 -10.016 4.997 -9.944 278 HB2 ALA 35 2HB ALA 35 -9.593 5.421 -11.603 279 HB3 ALA 35 3HB ALA 35 -8.385 5.550 -10.325 280 H GLU 36 H GLU 36 -12.341 7.283 -10.785 281 HA GLU 36 HA GLU 36 -13.320 8.149 -8.313 282 HB2 GLU 36 2HB GLU 36 -14.885 6.499 -10.293 283 HB3 GLU 36 3HB GLU 36 -15.503 7.693 -9.161 284 HG2 GLU 36 2HG GLU 36 -13.717 9.144 -10.653 285 HG3 GLU 36 3HG GLU 36 -14.412 8.036 -11.836 286 H GLU 37 H GLU 37 -12.374 5.019 -9.389 287 HA GLU 37 HA GLU 37 -13.671 3.757 -7.074 288 HB2 GLU 37 2HB GLU 37 -13.455 2.942 -9.736 289 HB3 GLU 37 3HB GLU 37 -12.312 1.928 -8.866 290 HG2 GLU 37 2HG GLU 37 -14.865 2.157 -7.502 291 HG3 GLU 37 3HG GLU 37 -15.013 1.489 -9.127 292 H ALA 38 H ALA 38 -10.720 4.967 -8.119 293 HA ALA 38 HA ALA 38 -9.051 3.094 -6.674 294 HB1 ALA 38 1HB ALA 38 -8.107 3.991 -8.662 295 HB2 ALA 38 2HB ALA 38 -8.442 5.646 -8.150 296 HB3 ALA 38 3HB ALA 38 -7.222 4.692 -7.306 297 HA PRO 39 HA PRO 39 -8.990 5.124 -2.781 298 HB2 PRO 39 2HB PRO 39 -6.438 4.652 -1.982 299 HB3 PRO 39 3HB PRO 39 -7.677 3.392 -2.034 300 HG2 PRO 39 2HG PRO 39 -5.515 4.005 -4.012 301 HG3 PRO 39 3HG PRO 39 -6.064 2.431 -3.406 302 HD2 PRO 39 2HD PRO 39 -6.826 3.413 -5.812 303 HD3 PRO 39 3HD PRO 39 -7.878 2.377 -4.828 304 H LEU 40 H LEU 40 -8.010 6.870 -1.555 305 HA LEU 40 HA LEU 40 -7.372 9.107 -3.160 306 HB2 LEU 40 2HB LEU 40 -8.476 9.543 -1.136 307 HB3 LEU 40 3HB LEU 40 -7.321 8.592 -0.205 308 HG LEU 40 HG LEU 40 -6.264 10.991 -1.581 309 HD11 LEU 40 1HD1 LEU 40 -8.092 11.144 0.810 310 HD12 LEU 40 2HD1 LEU 40 -8.340 11.891 -0.767 311 HD13 LEU 40 3HD1 LEU 40 -7.027 12.443 0.273 312 HD21 LEU 40 1HD2 LEU 40 -5.637 10.782 1.186 313 HD22 LEU 40 2HD2 LEU 40 -4.581 10.550 -0.207 314 HD23 LEU 40 3HD2 LEU 40 -5.481 9.184 0.454 315 H THR 41 H THR 41 -5.461 6.586 -1.927 316 HA THR 41 HA THR 41 -3.027 7.723 -1.344 317 HB THR 41 HB THR 41 -3.454 5.174 -2.915 318 HG1 THR 41 HG1 THR 41 -3.064 5.426 -0.114 319 HG21 THR 41 1HG2 THR 41 -1.279 4.563 -1.715 320 HG22 THR 41 2HG2 THR 41 -1.100 6.291 -1.412 321 HG23 THR 41 3HG2 THR 41 -1.163 5.687 -3.068 322 H ALA 42 H ALA 42 -4.503 7.216 -4.487 323 HA ALA 42 HA ALA 42 -2.269 7.649 -6.114 324 HB1 ALA 42 1HB ALA 42 -4.050 8.465 -7.785 325 HB2 ALA 42 2HB ALA 42 -4.138 6.800 -7.208 326 HB3 ALA 42 3HB ALA 42 -5.211 8.026 -6.532 327 H ALA 43 H ALA 43 -4.481 9.911 -4.566 328 HA ALA 43 HA ALA 43 -3.524 12.236 -5.890 329 HB1 ALA 43 1HB ALA 43 -4.840 12.177 -3.186 330 HB2 ALA 43 2HB ALA 43 -4.856 13.473 -4.382 331 HB3 ALA 43 3HB ALA 43 -5.736 11.977 -4.693 332 H LEU 44 H LEU 44 -2.461 10.421 -3.124 333 HA LEU 44 HA LEU 44 -1.009 12.257 -1.682 334 HB2 LEU 44 2HB LEU 44 -1.327 9.864 -1.110 335 HB3 LEU 44 3HB LEU 44 -0.129 9.449 -2.334 336 HG LEU 44 HG LEU 44 0.743 11.353 -0.250 337 HD11 LEU 44 1HD1 LEU 44 -0.237 10.043 1.342 338 HD12 LEU 44 2HD1 LEU 44 1.282 9.173 1.128 339 HD13 LEU 44 3HD1 LEU 44 -0.186 8.592 0.342 340 HD21 LEU 44 1HD2 LEU 44 2.790 10.575 -0.781 341 HD22 LEU 44 2HD2 LEU 44 1.976 10.021 -2.244 342 HD23 LEU 44 3HD2 LEU 44 2.241 8.903 -0.905 343 H ARG 45 H ARG 45 -0.279 10.864 -4.794 344 HA ARG 45 HA ARG 45 2.426 11.305 -5.038 345 HB2 ARG 45 2HB ARG 45 0.942 10.240 -6.747 346 HB3 ARG 45 3HB ARG 45 0.380 11.845 -7.196 347 HG2 ARG 45 2HG ARG 45 2.806 12.406 -7.669 348 HG3 ARG 45 3HG ARG 45 3.123 10.675 -7.531 349 HD2 ARG 45 2HD ARG 45 1.057 10.590 -9.220 350 HD3 ARG 45 3HD ARG 45 1.679 12.188 -9.629 351 HE ARG 45 HE ARG 45 2.896 9.650 -10.214 352 HH11 ARG 45 1HH1 ARG 45 3.450 13.055 -9.746 353 HH12 ARG 45 2HH1 ARG 45 4.909 13.079 -10.679 354 HH21 ARG 45 1HH2 ARG 45 4.816 9.669 -11.445 355 HH22 ARG 45 2HH2 ARG 45 5.685 11.152 -11.646 356 H PHE 46 H PHE 46 -0.155 13.612 -5.900 357 HA PHE 46 HA PHE 46 1.783 15.758 -6.124 358 HB2 PHE 46 2HB PHE 46 -1.128 15.446 -6.724 359 HB3 PHE 46 3HB PHE 46 -0.486 17.068 -6.483 360 HD1 PHE 46 HD1 PHE 46 -0.135 14.000 -8.517 361 HD2 PHE 46 HD2 PHE 46 0.728 18.153 -8.171 362 HE1 PHE 46 HE1 PHE 46 0.653 14.027 -10.848 363 HE2 PHE 46 HE2 PHE 46 1.517 18.187 -10.501 364 HZ PHE 46 HZ PHE 46 1.479 16.123 -11.843 365 H ALA 47 H ALA 47 -0.510 14.540 -3.832 366 HA ALA 47 HA ALA 47 -0.896 16.854 -2.276 367 HB1 ALA 47 1HB ALA 47 -0.967 14.590 -0.580 368 HB2 ALA 47 2HB ALA 47 -2.321 15.477 -1.281 369 HB3 ALA 47 3HB ALA 47 -1.624 14.107 -2.144 370 H ALA 48 H ALA 48 1.672 14.481 -2.376 371 HA ALA 48 HA ALA 48 2.904 14.978 0.077 372 HB1 ALA 48 1HB ALA 48 4.259 14.263 -2.521 373 HB2 ALA 48 2HB ALA 48 4.904 14.025 -0.896 374 HB3 ALA 48 3HB ALA 48 3.489 13.115 -1.425 375 H GLU 49 H GLU 49 2.849 16.848 -2.850 376 HA GLU 49 HA GLU 49 5.094 18.505 -2.123 377 HB2 GLU 49 2HB GLU 49 3.026 19.147 -4.216 378 HB3 GLU 49 3HB GLU 49 4.700 19.679 -4.141 379 HG2 GLU 49 2HG GLU 49 5.192 17.109 -4.312 380 HG3 GLU 49 3HG GLU 49 3.575 17.070 -5.014 381 H GLU 50 H GLU 50 1.591 18.666 -1.929 382 HA GLU 50 HA GLU 50 1.354 21.389 -1.260 383 HB2 GLU 50 2HB GLU 50 -0.441 19.101 -0.436 384 HB3 GLU 50 3HB GLU 50 -0.867 20.806 -0.417 385 HG2 GLU 50 2HG GLU 50 -1.019 20.934 -2.713 386 HG3 GLU 50 3HG GLU 50 0.011 19.527 -2.964 387 H PHE 51 H PHE 51 1.709 18.494 0.752 388 HA PHE 51 HA PHE 51 1.856 20.142 3.155 389 HB2 PHE 51 2HB PHE 51 0.979 17.503 2.605 390 HB3 PHE 51 3HB PHE 51 2.368 17.371 3.678 391 HD1 PHE 51 HD1 PHE 51 2.137 19.669 5.404 392 HD2 PHE 51 HD2 PHE 51 -0.915 17.137 3.858 393 HE1 PHE 51 HE1 PHE 51 0.706 20.227 7.326 394 HE2 PHE 51 HE2 PHE 51 -2.352 17.692 5.777 395 HZ PHE 51 HZ PHE 51 -1.543 19.239 7.513 396 H GLY 52 H GLY 52 3.912 18.605 0.894 397 HA2 GLY 52 2HA GLY 52 6.210 18.647 0.716 398 HA3 GLY 52 3HA GLY 52 6.253 19.629 2.173 399 H ILE 53 H ILE 53 4.516 16.738 2.540 400 HA ILE 53 HA ILE 53 6.833 15.193 3.391 401 HB ILE 53 HB ILE 53 5.930 14.743 5.614 402 HG12 ILE 53 2HG1 ILE 53 3.858 16.834 4.913 403 HG13 ILE 53 3HG1 ILE 53 3.554 15.113 5.120 404 HG21 ILE 53 1HG2 ILE 53 7.504 16.672 5.123 405 HG22 ILE 53 2HG2 ILE 53 6.098 17.723 5.278 406 HG23 ILE 53 3HG2 ILE 53 6.621 16.743 6.647 407 HD11 ILE 53 1HD1 ILE 53 4.104 15.251 7.453 408 HD12 ILE 53 2HD1 ILE 53 4.576 16.941 7.278 409 HD13 ILE 53 3HD1 ILE 53 2.891 16.470 7.064 410 H ALA 54 H ALA 54 5.766 13.094 4.592 411 HA ALA 54 HA ALA 54 3.380 12.195 3.210 412 HB1 ALA 54 1HB ALA 54 5.477 11.799 1.740 413 HB2 ALA 54 2HB ALA 54 5.811 10.487 2.872 414 HB3 ALA 54 3HB ALA 54 4.309 10.494 1.948 415 H SER 55 H SER 55 2.561 12.048 5.338 416 HA SER 55 HA SER 55 2.735 9.528 6.531 417 HB2 SER 55 2HB SER 55 4.705 11.492 7.484 418 HB3 SER 55 3HB SER 55 3.745 10.754 8.767 419 HG SER 55 HG SER 55 4.941 9.056 8.535 420 H VAL 56 H VAL 56 2.649 12.683 8.163 421 HA VAL 56 HA VAL 56 0.214 12.086 9.500 422 HB VAL 56 HB VAL 56 0.289 14.347 10.349 423 HG11 VAL 56 1HG1 VAL 56 2.051 13.983 11.702 424 HG12 VAL 56 2HG1 VAL 56 2.153 12.450 10.834 425 HG13 VAL 56 3HG1 VAL 56 3.180 13.804 10.359 426 HG21 VAL 56 1HG2 VAL 56 1.774 14.827 7.906 427 HG22 VAL 56 2HG2 VAL 56 0.922 15.965 8.950 428 HG23 VAL 56 3HG2 VAL 56 2.584 15.505 9.318 429 H ASP 57 H ASP 57 0.931 13.317 6.400 430 HA ASP 57 HA ASP 57 -1.309 14.963 5.951 431 HB2 ASP 57 2HB ASP 57 -0.785 14.790 3.617 432 HB3 ASP 57 3HB ASP 57 0.739 14.828 4.500 433 H SER 58 H SER 58 -1.010 11.575 6.260 434 HA SER 58 HA SER 58 -3.088 10.668 4.617 435 HB2 SER 58 2HB SER 58 -3.001 8.636 5.853 436 HB3 SER 58 3HB SER 58 -1.355 9.270 5.859 437 HG SER 58 HG SER 58 -1.614 9.922 7.951 438 H MET 59 H MET 59 -3.134 12.326 7.653 439 HA MET 59 HA MET 59 -6.011 12.565 7.509 440 HB2 MET 59 2HB MET 59 -4.631 11.080 9.731 441 HB3 MET 59 3HB MET 59 -6.165 11.897 10.000 442 HG2 MET 59 2HG MET 59 -6.961 10.545 7.940 443 HG3 MET 59 3HG MET 59 -5.560 9.533 8.285 444 HE1 MET 59 1HE MET 59 -5.528 8.697 11.520 445 HE2 MET 59 2HE MET 59 -6.419 7.305 10.904 446 HE3 MET 59 3HE MET 59 -5.202 8.090 9.896 447 H ALA 60 H ALA 60 -5.242 14.749 7.112 448 HA ALA 60 HA ALA 60 -5.013 16.235 9.604 449 HB1 ALA 60 1HB ALA 60 -2.782 16.383 9.365 450 HB2 ALA 60 2HB ALA 60 -2.832 15.968 7.651 451 HB3 ALA 60 3HB ALA 60 -3.183 17.617 8.170 452 H ALA 61 H ALA 61 -7.257 16.568 8.737 453 HA ALA 61 HA ALA 61 -7.402 19.135 7.489 454 HB1 ALA 61 1HB ALA 61 -7.096 17.776 5.486 455 HB2 ALA 61 2HB ALA 61 -8.484 16.784 5.939 456 HB3 ALA 61 3HB ALA 61 -8.711 18.485 5.531 457 H THR 62 H THR 62 -9.523 20.040 7.550 458 HA THR 62 HA THR 62 -11.555 18.472 8.967 459 HB THR 62 HB THR 62 -12.010 20.270 10.541 460 HG1 THR 62 HG1 THR 62 -11.320 22.193 10.013 461 HG21 THR 62 1HG2 THR 62 -10.207 19.922 12.002 462 HG22 THR 62 2HG2 THR 62 -9.046 19.792 10.680 463 HG23 THR 62 3HG2 THR 62 -10.206 18.495 10.967 464 H THR 63 H THR 63 -13.625 18.924 8.390 465 HA THR 63 HA THR 63 -13.986 20.709 6.122 466 HB THR 63 HB THR 63 -16.304 19.744 6.066 467 HG1 THR 63 HG1 THR 63 -16.861 18.193 7.497 468 HG21 THR 63 1HG2 THR 63 -14.049 17.733 6.039 469 HG22 THR 63 2HG2 THR 63 -14.479 18.810 4.710 470 HG23 THR 63 3HG2 THR 63 -15.607 17.559 5.232 471 H LYS 64 H LYS 64 -15.897 22.133 6.036 472 HA LYS 64 HA LYS 64 -15.933 23.929 8.213 473 HB2 LYS 64 2HB LYS 64 -17.702 25.094 6.974 474 HB3 LYS 64 3HB LYS 64 -16.363 24.657 5.921 475 HG2 LYS 64 2HG LYS 64 -17.935 22.506 5.577 476 HG3 LYS 64 3HG LYS 64 -19.159 23.732 5.919 477 HD2 LYS 64 2HD LYS 64 -18.827 23.675 3.554 478 HD3 LYS 64 3HD LYS 64 -18.097 25.163 4.161 479 HE2 LYS 64 2HE LYS 64 -15.975 23.529 4.311 480 HE3 LYS 64 3HE LYS 64 -16.835 22.764 2.975 481 HZ1 LYS 64 1HZ LYS 64 -16.757 24.749 1.728 482 HZ2 LYS 64 2HZ LYS 64 -15.196 24.527 2.340 483 HZ3 LYS 64 3HZ LYS 64 -16.229 25.664 3.049 484 H ASP 65 H ASP 65 -17.847 21.152 7.425 485 HA ASP 65 HA ASP 65 -20.053 21.798 9.138 486 HB2 ASP 65 2HB ASP 65 -19.715 20.023 7.106 487 HB3 ASP 65 3HB ASP 65 -19.567 18.958 8.502 488 H GLY 66 H GLY 66 -16.933 20.410 9.570 489 HA2 GLY 66 2HA GLY 66 -16.749 20.570 12.260 490 HA3 GLY 66 3HA GLY 66 -17.590 19.044 12.033 491 H THR 67 H THR 67 -16.287 17.354 12.126 492 HA THR 67 HA THR 67 -13.443 17.651 11.738 493 HB THR 67 HB THR 67 -14.347 16.205 13.534 494 HG1 THR 67 HG1 THR 67 -12.942 14.400 13.013 495 HG21 THR 67 1HG2 THR 67 -15.841 14.580 13.174 496 HG22 THR 67 2HG2 THR 67 -14.911 13.923 11.827 497 HG23 THR 67 3HG2 THR 67 -16.038 15.253 11.556 498 H GLY 68 H GLY 68 -12.247 16.999 10.031 499 HA2 GLY 68 2HA GLY 68 -13.726 15.864 7.743 500 HA3 GLY 68 3HA GLY 68 -12.303 16.886 7.607 501 H ILE 69 H ILE 69 -13.093 13.916 9.418 502 HA ILE 69 HA ILE 69 -10.461 12.855 8.918 503 HB ILE 69 HB ILE 69 -12.871 11.643 10.273 504 HG12 ILE 69 2HG1 ILE 69 -10.263 12.564 11.486 505 HG13 ILE 69 3HG1 ILE 69 -11.676 13.605 11.356 506 HG21 ILE 69 1HG2 ILE 69 -11.691 9.784 9.505 507 HG22 ILE 69 2HG2 ILE 69 -10.126 10.552 9.767 508 HG23 ILE 69 3HG2 ILE 69 -11.086 10.016 11.145 509 HD11 ILE 69 1HD1 ILE 69 -11.836 12.792 13.504 510 HD12 ILE 69 2HD1 ILE 69 -12.887 11.694 12.609 511 HD13 ILE 69 3HD1 ILE 69 -11.257 11.189 13.053 512 H ASN 70 H ASN 70 -9.883 11.244 7.538 513 HA ASN 70 HA ASN 70 -11.931 10.389 5.608 514 HB2 ASN 70 2HB ASN 70 -8.924 10.393 5.265 515 HB3 ASN 70 3HB ASN 70 -10.124 10.048 4.022 516 HD21 ASN 70 1HD2 ASN 70 -11.923 11.962 4.191 517 HD22 ASN 70 2HD2 ASN 70 -11.222 13.526 3.969 518 HA PRO 71 HA PRO 71 -11.145 6.531 7.938 519 HB2 PRO 71 2HB PRO 71 -13.618 5.510 7.476 520 HB3 PRO 71 3HB PRO 71 -13.278 6.647 8.785 521 HG2 PRO 71 2HG PRO 71 -14.463 7.166 6.085 522 HG3 PRO 71 3HG PRO 71 -14.952 7.808 7.664 523 HD2 PRO 71 2HD PRO 71 -13.463 9.235 5.910 524 HD3 PRO 71 3HD PRO 71 -13.294 9.409 7.668 525 H ALA 72 H ALA 72 -12.932 6.785 4.862 526 HA ALA 72 HA ALA 72 -11.701 4.276 3.976 527 HB1 ALA 72 1HB ALA 72 -14.283 5.187 3.760 528 HB2 ALA 72 2HB ALA 72 -13.619 5.496 2.155 529 HB3 ALA 72 3HB ALA 72 -13.573 3.868 2.830 530 H GLN 73 H GLN 73 -11.769 7.698 3.348 531 HA GLN 73 HA GLN 73 -10.618 9.040 1.914 532 HB2 GLN 73 2HB GLN 73 -8.623 6.788 1.722 533 HB3 GLN 73 3HB GLN 73 -8.324 8.513 1.550 534 HG2 GLN 73 2HG GLN 73 -9.442 8.183 4.093 535 HG3 GLN 73 3HG GLN 73 -8.272 6.878 3.903 536 HE21 GLN 73 1HE2 GLN 73 -6.421 7.413 4.792 537 HE22 GLN 73 2HE2 GLN 73 -5.657 8.961 4.712 538 H THR 74 H THR 74 -12.512 6.986 0.837 539 HA THR 74 HA THR 74 -11.454 6.216 -1.725 540 HB THR 74 HB THR 74 -14.386 6.239 -1.083 541 HG1 THR 74 HG1 THR 74 -12.365 4.695 0.100 542 HG21 THR 74 1HG2 THR 74 -12.565 4.869 -2.960 543 HG22 THR 74 2HG2 THR 74 -14.252 5.341 -3.158 544 HG23 THR 74 3HG2 THR 74 -13.845 3.876 -2.265 545 H ALA 75 H ALA 75 -12.498 6.850 -3.769 546 HA ALA 75 HA ALA 75 -12.453 9.628 -4.147 547 HB1 ALA 75 1HB ALA 75 -12.642 7.318 -5.774 548 HB2 ALA 75 2HB ALA 75 -13.937 8.418 -6.250 549 HB3 ALA 75 3HB ALA 75 -12.262 8.972 -6.256 550 H GLY 76 H GLY 76 -15.182 7.363 -3.917 551 HA2 GLY 76 2HA GLY 76 -17.202 9.294 -4.379 552 HA3 GLY 76 3HA GLY 76 -17.432 7.723 -3.624 553 H ASN 77 H ASN 77 -15.659 8.120 -1.428 554 HA ASN 77 HA ASN 77 -17.430 9.494 0.337 555 HB2 ASN 77 2HB ASN 77 -15.007 7.846 0.571 556 HB3 ASN 77 3HB ASN 77 -15.149 9.094 1.805 557 HD21 ASN 77 1HD2 ASN 77 -16.463 8.758 3.475 558 HD22 ASN 77 2HD2 ASN 77 -17.560 7.432 3.626 559 H VAL 78 H VAL 78 -14.191 10.170 -0.936 560 HA VAL 78 HA VAL 78 -13.997 12.684 0.458 561 HB VAL 78 HB VAL 78 -11.882 12.970 -0.614 562 HG11 VAL 78 1HG1 VAL 78 -11.415 10.159 -0.402 563 HG12 VAL 78 2HG1 VAL 78 -10.990 11.445 0.730 564 HG13 VAL 78 3HG1 VAL 78 -12.562 10.653 0.843 565 HG21 VAL 78 1HG2 VAL 78 -11.242 11.046 -2.305 566 HG22 VAL 78 2HG2 VAL 78 -12.984 11.024 -2.577 567 HG23 VAL 78 3HG2 VAL 78 -12.069 12.507 -2.847 568 H PHE 79 H PHE 79 -15.646 11.680 -2.249 569 HA PHE 79 HA PHE 79 -15.266 13.663 -4.146 570 HB2 PHE 79 2HB PHE 79 -16.636 11.726 -4.618 571 HB3 PHE 79 3HB PHE 79 -17.802 12.202 -3.388 572 HD1 PHE 79 HD1 PHE 79 -19.434 13.898 -3.813 573 HD2 PHE 79 HD2 PHE 79 -16.491 12.937 -6.733 574 HE1 PHE 79 HE1 PHE 79 -20.705 15.156 -5.503 575 HE2 PHE 79 HE2 PHE 79 -17.757 14.194 -8.428 576 HZ PHE 79 HZ PHE 79 -19.866 15.307 -7.813 577 H MET 80 H MET 80 -17.360 13.672 -1.291 578 HA MET 80 HA MET 80 -18.110 16.447 -1.830 579 HB2 MET 80 2HB MET 80 -19.579 14.349 -0.885 580 HB3 MET 80 3HB MET 80 -19.135 15.160 0.611 581 HG2 MET 80 2HG MET 80 -20.462 16.923 0.207 582 HG3 MET 80 3HG MET 80 -20.118 16.921 -1.521 583 HE1 MET 80 1HE MET 80 -22.364 17.085 -2.749 584 HE2 MET 80 2HE MET 80 -23.868 16.576 -1.982 585 HE3 MET 80 3HE MET 80 -22.821 17.747 -1.179 586 H LYS 81 H LYS 81 -16.349 14.470 0.477 587 HA LYS 81 HA LYS 81 -15.930 16.471 2.429 588 HB2 LYS 81 2HB LYS 81 -15.078 13.755 1.949 589 HB3 LYS 81 3HB LYS 81 -13.721 14.732 2.495 590 HG2 LYS 81 2HG LYS 81 -14.573 15.005 4.568 591 HG3 LYS 81 3HG LYS 81 -16.243 15.034 3.999 592 HD2 LYS 81 2HD LYS 81 -14.567 12.533 4.044 593 HD3 LYS 81 3HD LYS 81 -15.584 13.034 5.397 594 HE2 LYS 81 2HE LYS 81 -16.965 13.066 2.825 595 HE3 LYS 81 3HE LYS 81 -16.376 11.469 3.284 596 HZ1 LYS 81 1HZ LYS 81 -18.109 11.299 4.628 597 HZ2 LYS 81 2HZ LYS 81 -18.605 12.877 4.278 598 HZ3 LYS 81 3HZ LYS 81 -17.524 12.592 5.548 599 H TYR 82 H TYR 82 -13.705 15.200 -0.056 600 HA TYR 82 HA TYR 82 -11.930 17.459 0.322 601 HB2 TYR 82 2HB TYR 82 -11.822 14.881 -1.164 602 HB3 TYR 82 3HB TYR 82 -10.820 16.202 -1.754 603 HD1 TYR 82 HD1 TYR 82 -11.668 15.469 1.783 604 HD2 TYR 82 HD2 TYR 82 -8.666 15.408 -1.231 605 HE1 TYR 82 HE1 TYR 82 -9.976 14.939 3.487 606 HE2 TYR 82 HE2 TYR 82 -6.966 14.876 0.465 607 HH TYR 82 HH TYR 82 -7.853 14.371 3.861 608 H GLY 83 H GLY 83 -14.739 17.034 -1.311 609 HA2 GLY 83 2HA GLY 83 -14.087 18.248 -3.826 610 HA3 GLY 83 3HA GLY 83 -15.701 17.973 -3.189 611 H GLN 84 H GLN 84 -12.857 20.039 -2.609 612 HA GLN 84 HA GLN 84 -12.681 22.210 -1.935 613 HB2 GLN 84 2HB GLN 84 -15.180 22.502 -3.611 614 HB3 GLN 84 3HB GLN 84 -14.087 23.800 -3.149 615 HG2 GLN 84 2HG GLN 84 -12.291 22.372 -4.354 616 HG3 GLN 84 3HG GLN 84 -13.678 21.597 -5.118 617 HE21 GLN 84 1HE2 GLN 84 -12.069 24.679 -4.602 618 HE22 GLN 84 2HE2 GLN 84 -12.678 25.446 -6.025 619 H GLU 85 H GLU 85 -13.782 20.719 0.040 620 HA GLU 85 HA GLU 85 -15.493 22.670 1.357 621 HB2 GLU 85 2HB GLU 85 -16.363 19.961 0.543 622 HB3 GLU 85 3HB GLU 85 -16.777 20.443 2.181 623 HG2 GLU 85 2HG GLU 85 -17.963 22.369 1.373 624 HG3 GLU 85 3HG GLU 85 -17.440 22.042 -0.279 625 H ILE 86 H ILE 86 -12.735 21.319 1.496 626 HA ILE 86 HA ILE 86 -12.768 20.999 4.400 627 HB ILE 86 HB ILE 86 -12.912 18.714 3.357 628 HG12 ILE 86 2HG1 ILE 86 -10.413 19.354 4.938 629 HG13 ILE 86 3HG1 ILE 86 -12.011 19.058 5.612 630 HG21 ILE 86 1HG2 ILE 86 -10.942 17.796 2.280 631 HG22 ILE 86 2HG2 ILE 86 -11.527 19.199 1.387 632 HG23 ILE 86 3HG2 ILE 86 -10.113 19.345 2.431 633 HD11 ILE 86 1HD1 ILE 86 -11.944 16.771 4.798 634 HD12 ILE 86 2HD1 ILE 86 -10.360 17.064 4.080 635 HD13 ILE 86 3HD1 ILE 86 -10.558 17.117 5.831 636 H ARG 87 H ARG 87 -10.811 21.492 5.417 637 HA ARG 87 HA ARG 87 -8.823 22.793 3.675 638 HB2 ARG 87 2HB ARG 87 -10.193 23.688 6.076 639 HB3 ARG 87 3HB ARG 87 -8.446 23.782 6.251 640 HG2 ARG 87 2HG ARG 87 -9.816 24.902 3.837 641 HG3 ARG 87 3HG ARG 87 -9.703 25.822 5.338 642 HD2 ARG 87 2HD ARG 87 -7.223 25.437 5.269 643 HD3 ARG 87 3HD ARG 87 -7.441 24.763 3.655 644 HE ARG 87 HE ARG 87 -8.619 27.168 3.436 645 HH11 ARG 87 1HH1 ARG 87 -5.522 26.179 4.682 646 HH12 ARG 87 2HH1 ARG 87 -4.731 27.659 4.254 647 HH21 ARG 87 1HH2 ARG 87 -7.588 29.122 2.868 648 HH22 ARG 87 2HH2 ARG 87 -5.907 29.333 3.223 649 H LEU 88 H LEU 88 -6.666 22.388 3.991 650 HA LEU 88 HA LEU 88 -6.046 19.991 5.513 651 HB2 LEU 88 2HB LEU 88 -4.825 21.490 3.295 652 HB3 LEU 88 3HB LEU 88 -3.688 20.743 4.416 653 HG LEU 88 HG LEU 88 -4.231 19.385 2.385 654 HD11 LEU 88 1HD1 LEU 88 -3.990 18.605 5.086 655 HD12 LEU 88 2HD1 LEU 88 -3.567 17.687 3.641 656 HD13 LEU 88 3HD1 LEU 88 -5.180 17.540 4.338 657 HD21 LEU 88 1HD2 LEU 88 -6.677 20.060 2.427 658 HD22 LEU 88 2HD2 LEU 88 -6.877 18.879 3.722 659 HD23 LEU 88 3HD2 LEU 88 -6.335 18.356 2.126 660 H ILE 89 H ILE 89 -5.563 20.216 7.593 661 HA ILE 89 HA ILE 89 -3.895 22.510 8.399 662 HB ILE 89 HB ILE 89 -6.177 22.591 9.351 663 HG12 ILE 89 2HG1 ILE 89 -5.287 22.476 11.855 664 HG13 ILE 89 3HG1 ILE 89 -3.734 22.317 11.042 665 HG21 ILE 89 1HG2 ILE 89 -5.413 20.080 10.831 666 HG22 ILE 89 2HG2 ILE 89 -6.940 20.955 10.927 667 HG23 ILE 89 3HG2 ILE 89 -6.493 20.124 9.438 668 HD11 ILE 89 1HD1 ILE 89 -4.146 24.412 9.858 669 HD12 ILE 89 2HD1 ILE 89 -5.695 24.571 10.687 670 HD13 ILE 89 3HD1 ILE 89 -4.193 24.626 11.608 671 HA PRO 90 HA PRO 90 -0.881 19.462 9.507 672 HB2 PRO 90 2HB PRO 90 0.774 21.113 10.887 673 HB3 PRO 90 3HB PRO 90 0.680 21.103 9.122 674 HG2 PRO 90 2HG PRO 90 -0.607 22.969 11.077 675 HG3 PRO 90 3HG PRO 90 0.198 23.339 9.541 676 HD2 PRO 90 2HD PRO 90 -2.496 23.219 9.782 677 HD3 PRO 90 3HD PRO 90 -1.650 22.763 8.290 678 H ARG 91 H ARG 91 -2.575 18.476 10.934 679 HA ARG 91 HA ARG 91 -2.061 19.070 13.773 680 HB2 ARG 91 2HB ARG 91 -4.499 18.777 12.344 681 HB3 ARG 91 3HB ARG 91 -4.360 17.405 13.436 682 HG2 ARG 91 2HG ARG 91 -3.943 19.010 15.293 683 HG3 ARG 91 3HG ARG 91 -4.285 20.323 14.164 684 HD2 ARG 91 2HD ARG 91 -6.290 19.888 15.367 685 HD3 ARG 91 3HD ARG 91 -6.510 19.252 13.738 686 HE ARG 91 HE ARG 91 -5.547 17.208 15.411 687 HH11 ARG 91 1HH1 ARG 91 -8.408 19.115 14.861 688 HH12 ARG 91 2HH1 ARG 91 -9.491 17.893 15.440 689 HH21 ARG 91 1HH2 ARG 91 -6.964 15.592 16.175 690 HH22 ARG 91 2HH2 ARG 91 -8.669 15.890 16.188 691 H ASP 92 H ASP 92 -2.116 17.207 15.241 692 HA ASP 92 HA ASP 92 -1.386 15.165 15.929 693 HB2 ASP 92 2HB ASP 92 -3.133 14.640 13.861 694 HB3 ASP 92 3HB ASP 92 -1.685 13.762 13.377 695 H ARG 93 H ARG 93 0.387 17.090 14.513 696 HA ARG 93 HA ARG 93 2.564 15.203 13.944 697 HB2 ARG 93 2HB ARG 93 1.830 15.968 11.782 698 HB3 ARG 93 3HB ARG 93 1.829 17.642 12.322 699 HG2 ARG 93 2HG ARG 93 3.755 17.286 10.960 700 HG3 ARG 93 3HG ARG 93 4.288 17.484 12.631 701 HD2 ARG 93 2HD ARG 93 3.886 14.769 12.416 702 HD3 ARG 93 3HD ARG 93 4.544 15.200 10.838 703 HE ARG 93 HE ARG 93 6.178 16.443 12.651 704 HH11 ARG 93 1HH1 ARG 93 5.161 13.167 12.052 705 HH12 ARG 93 2HH1 ARG 93 6.630 12.465 12.644 706 HH21 ARG 93 1HH2 ARG 93 8.116 15.530 13.433 707 HH22 ARG 93 2HH2 ARG 93 8.310 13.810 13.431 708 H VAL 94 H VAL 94 1.847 18.661 14.442 709 HA VAL 94 HA VAL 94 4.420 19.019 15.760 710 HB VAL 94 HB VAL 94 2.252 21.034 15.153 711 HG11 VAL 94 1HG1 VAL 94 4.808 21.195 16.618 712 HG12 VAL 94 2HG1 VAL 94 4.488 22.493 15.466 713 HG13 VAL 94 3HG1 VAL 94 3.346 22.169 16.771 714 HG21 VAL 94 1HG2 VAL 94 4.347 19.861 13.541 715 HG22 VAL 94 2HG2 VAL 94 3.017 20.917 13.063 716 HG23 VAL 94 3HG2 VAL 94 4.524 21.611 13.661 717 H GLY 95 H GLY 95 1.004 19.738 16.520 718 HA2 GLY 95 2HA GLY 95 1.067 18.621 19.093 719 HA3 GLY 95 3HA GLY 95 1.433 20.334 19.234 Start of MODEL 15 1 H1 MET 1 H MET 1 3.277 -1.395 4.734 2 HA MET 1 HA MET 1 3.427 -1.424 2.350 3 HB2 MET 1 2HB MET 1 0.541 -0.958 3.123 4 HB3 MET 1 3HB MET 1 1.088 -1.688 1.620 5 HG2 MET 1 2HG MET 1 2.065 -3.540 2.863 6 HG3 MET 1 3HG MET 1 1.543 -2.805 4.376 7 HE1 MET 1 1HE MET 1 0.925 -5.795 3.454 8 HE2 MET 1 2HE MET 1 0.338 -5.173 4.997 9 HE3 MET 1 3HE MET 1 -0.774 -5.980 3.891 10 H SER 2 H SER 2 4.400 0.220 1.289 11 HA SER 2 HA SER 2 2.689 2.367 0.321 12 HB2 SER 2 2HB SER 2 4.156 2.962 2.485 13 HB3 SER 2 3HB SER 2 5.375 3.251 1.244 14 HG SER 2 HG SER 2 3.991 5.086 1.826 15 H GLN 3 H GLN 3 2.829 1.788 -1.778 16 HA GLN 3 HA GLN 3 5.526 1.571 -2.945 17 HB2 GLN 3 2HB GLN 3 4.427 0.241 -4.760 18 HB3 GLN 3 3HB GLN 3 4.406 -0.531 -3.181 19 HG2 GLN 3 2HG GLN 3 2.044 1.051 -3.513 20 HG3 GLN 3 3HG GLN 3 2.241 -0.034 -4.888 21 HE21 GLN 3 1HE2 GLN 3 2.533 -2.312 -4.423 22 HE22 GLN 3 2HE2 GLN 3 1.785 -2.991 -3.022 23 H ASN 4 H ASN 4 6.079 2.939 -4.535 24 HA ASN 4 HA ASN 4 4.294 5.107 -5.166 25 HB2 ASN 4 2HB ASN 4 7.160 4.488 -5.585 26 HB3 ASN 4 3HB ASN 4 6.416 5.540 -6.785 27 HD21 ASN 4 1HD2 ASN 4 6.362 5.130 -3.257 28 HD22 ASN 4 2HD2 ASN 4 6.548 6.809 -2.892 29 H GLU 5 H GLU 5 2.668 4.627 -6.523 30 HA GLU 5 HA GLU 5 3.285 4.028 -9.259 31 HB2 GLU 5 2HB GLU 5 2.588 1.869 -7.495 32 HB3 GLU 5 3HB GLU 5 1.317 2.084 -8.691 33 HG2 GLU 5 2HG GLU 5 3.009 1.946 -10.474 34 HG3 GLU 5 3HG GLU 5 4.241 1.646 -9.250 35 H GLU 6 H GLU 6 1.998 5.326 -10.372 36 HA GLU 6 HA GLU 6 -0.445 6.337 -9.181 37 HB2 GLU 6 2HB GLU 6 -0.521 7.806 -11.176 38 HB3 GLU 6 3HB GLU 6 0.991 7.932 -10.288 39 HG2 GLU 6 2HG GLU 6 2.212 6.928 -11.943 40 HG3 GLU 6 3HG GLU 6 0.827 6.040 -12.577 41 H ALA 7 H ALA 7 -2.503 5.988 -9.911 42 HA ALA 7 HA ALA 7 -3.039 3.540 -11.226 43 HB1 ALA 7 1HB ALA 7 -5.307 5.303 -11.268 44 HB2 ALA 7 2HB ALA 7 -5.047 3.834 -10.327 45 HB3 ALA 7 3HB ALA 7 -4.490 5.388 -9.707 46 HA PRO 8 HA PRO 8 -3.221 4.586 -15.484 47 HB2 PRO 8 2HB PRO 8 -5.390 3.194 -16.336 48 HB3 PRO 8 3HB PRO 8 -3.865 2.419 -15.891 49 HG2 PRO 8 2HG PRO 8 -6.373 2.724 -14.286 50 HG3 PRO 8 3HG PRO 8 -5.318 1.309 -14.454 51 HD2 PRO 8 2HD PRO 8 -5.222 2.950 -12.303 52 HD3 PRO 8 3HD PRO 8 -3.788 2.112 -12.929 53 H ALA 9 H ALA 9 -6.379 4.792 -13.862 54 HA ALA 9 HA ALA 9 -8.144 6.214 -14.119 55 HB1 ALA 9 1HB ALA 9 -5.836 7.720 -13.743 56 HB2 ALA 9 2HB ALA 9 -6.685 8.519 -15.067 57 HB3 ALA 9 3HB ALA 9 -7.502 8.258 -13.526 58 H ARG 10 H ARG 10 -7.340 4.650 -16.455 59 HA ARG 10 HA ARG 10 -8.060 6.441 -18.664 60 HB2 ARG 10 2HB ARG 10 -6.683 3.791 -18.494 61 HB3 ARG 10 3HB ARG 10 -7.517 4.226 -19.980 62 HG2 ARG 10 2HG ARG 10 -6.133 6.154 -20.272 63 HG3 ARG 10 3HG ARG 10 -5.401 5.926 -18.682 64 HD2 ARG 10 2HD ARG 10 -5.153 3.535 -20.265 65 HD3 ARG 10 3HD ARG 10 -4.502 4.923 -21.137 66 HE ARG 10 HE ARG 10 -3.394 3.671 -18.811 67 HH11 ARG 10 1HH1 ARG 10 -3.634 6.658 -20.584 68 HH12 ARG 10 2HH1 ARG 10 -2.148 7.297 -19.965 69 HH21 ARG 10 1HH2 ARG 10 -1.435 4.502 -17.989 70 HH22 ARG 10 2HH2 ARG 10 -0.897 6.069 -18.489 71 H SER 11 H SER 11 -9.163 3.677 -16.842 72 HA SER 11 HA SER 11 -11.556 3.506 -18.546 73 HB2 SER 11 2HB SER 11 -9.937 1.513 -17.151 74 HB3 SER 11 3HB SER 11 -11.660 1.347 -16.814 75 HG SER 11 HG SER 11 -10.264 0.921 -19.154 76 H GLY 12 H GLY 12 -13.518 3.996 -17.749 77 HA2 GLY 12 2HA GLY 12 -15.154 4.166 -16.037 78 HA3 GLY 12 3HA GLY 12 -13.863 4.223 -14.846 79 H GLY 13 H GLY 13 -15.077 6.044 -13.966 80 HA2 GLY 13 2HA GLY 13 -14.989 8.496 -15.561 81 HA3 GLY 13 3HA GLY 13 -15.817 8.288 -14.025 82 H LYS 14 H LYS 14 -14.571 10.507 -14.001 83 HA LYS 14 HA LYS 14 -12.205 10.037 -12.352 84 HB2 LYS 14 2HB LYS 14 -12.292 11.732 -14.834 85 HB3 LYS 14 3HB LYS 14 -11.154 12.081 -13.540 86 HG2 LYS 14 2HG LYS 14 -11.027 9.300 -14.165 87 HG3 LYS 14 3HG LYS 14 -10.882 10.241 -15.651 88 HD2 LYS 14 2HD LYS 14 -9.249 10.700 -13.156 89 HD3 LYS 14 3HD LYS 14 -8.702 9.785 -14.563 90 HE2 LYS 14 2HE LYS 14 -9.737 12.366 -15.336 91 HE3 LYS 14 3HE LYS 14 -8.462 12.533 -14.131 92 HZ1 LYS 14 1HZ LYS 14 -7.037 12.265 -15.790 93 HZ2 LYS 14 2HZ LYS 14 -8.256 11.831 -16.879 94 HZ3 LYS 14 3HZ LYS 14 -7.536 10.652 -15.902 95 H VAL 15 H VAL 15 -11.580 11.980 -11.105 96 HA VAL 15 HA VAL 15 -13.612 14.046 -10.853 97 HB VAL 15 HB VAL 15 -13.971 13.726 -8.485 98 HG11 VAL 15 1HG1 VAL 15 -15.459 12.546 -10.030 99 HG12 VAL 15 2HG1 VAL 15 -14.396 11.138 -9.978 100 HG13 VAL 15 3HG1 VAL 15 -15.252 11.653 -8.524 101 HG21 VAL 15 1HG2 VAL 15 -13.093 11.742 -7.316 102 HG22 VAL 15 2HG2 VAL 15 -12.150 11.333 -8.749 103 HG23 VAL 15 3HG2 VAL 15 -11.810 12.820 -7.864 104 H THR 16 H THR 16 -12.834 15.950 -10.047 105 HA THR 16 HA THR 16 -9.990 15.979 -9.269 106 HB THR 16 HB THR 16 -9.815 18.219 -10.259 107 HG1 THR 16 HG1 THR 16 -11.725 19.165 -10.411 108 HG21 THR 16 1HG2 THR 16 -11.004 16.508 -12.407 109 HG22 THR 16 2HG2 THR 16 -9.541 15.982 -11.575 110 HG23 THR 16 3HG2 THR 16 -9.557 17.513 -12.450 111 H PHE 17 H PHE 17 -9.600 16.684 -7.282 112 HA PHE 17 HA PHE 17 -11.652 18.322 -5.948 113 HB2 PHE 17 2HB PHE 17 -9.579 16.496 -4.712 114 HB3 PHE 17 3HB PHE 17 -10.776 17.436 -3.826 115 HD1 PHE 17 HD1 PHE 17 -10.067 14.346 -5.426 116 HD2 PHE 17 HD2 PHE 17 -13.243 16.955 -4.320 117 HE1 PHE 17 HE1 PHE 17 -11.660 12.479 -5.609 118 HE2 PHE 17 HE2 PHE 17 -14.841 15.092 -4.501 119 HZ PHE 17 HZ PHE 17 -14.050 12.851 -5.145 120 H ARG 18 H ARG 18 -11.059 20.155 -4.822 121 HA ARG 18 HA ARG 18 -8.421 21.222 -5.512 122 HB2 ARG 18 2HB ARG 18 -11.074 22.421 -4.884 123 HB3 ARG 18 3HB ARG 18 -9.640 23.350 -4.470 124 HG2 ARG 18 2HG ARG 18 -9.121 23.772 -6.626 125 HG3 ARG 18 3HG ARG 18 -9.715 22.209 -7.189 126 HD2 ARG 18 2HD ARG 18 -11.711 23.056 -7.712 127 HD3 ARG 18 3HD ARG 18 -11.850 23.874 -6.156 128 HE ARG 18 HE ARG 18 -10.042 25.228 -7.882 129 HH11 ARG 18 1HH1 ARG 18 -13.428 24.709 -7.260 130 HH12 ARG 18 2HH1 ARG 18 -13.920 26.222 -7.946 131 HH21 ARG 18 1HH2 ARG 18 -10.677 27.223 -8.788 132 HH22 ARG 18 2HH2 ARG 18 -12.354 27.650 -8.816 133 H ILE 19 H ILE 19 -6.870 21.462 -4.040 134 HA ILE 19 HA ILE 19 -7.561 21.024 -1.217 135 HB ILE 19 HB ILE 19 -4.803 20.907 -2.428 136 HG12 ILE 19 2HG1 ILE 19 -6.189 19.239 -3.539 137 HG13 ILE 19 3HG1 ILE 19 -5.077 18.448 -2.428 138 HG21 ILE 19 1HG2 ILE 19 -5.092 21.232 0.053 139 HG22 ILE 19 2HG2 ILE 19 -5.836 19.634 0.094 140 HG23 ILE 19 3HG2 ILE 19 -4.160 19.813 -0.425 141 HD11 ILE 19 1HD1 ILE 19 -7.338 17.489 -2.382 142 HD12 ILE 19 2HD1 ILE 19 -6.843 18.142 -0.820 143 HD13 ILE 19 3HD1 ILE 19 -7.966 19.044 -1.838 144 H ILE 20 H ILE 20 -7.282 22.580 0.259 145 HA ILE 20 HA ILE 20 -6.022 25.088 -0.626 146 HB ILE 20 HB ILE 20 -8.195 24.549 1.383 147 HG12 ILE 20 2HG1 ILE 20 -9.265 26.424 0.011 148 HG13 ILE 20 3HG1 ILE 20 -7.943 26.198 -1.130 149 HG21 ILE 20 1HG2 ILE 20 -6.499 27.017 1.088 150 HG22 ILE 20 2HG2 ILE 20 -8.077 27.015 1.875 151 HG23 ILE 20 3HG2 ILE 20 -6.761 26.045 2.536 152 HD11 ILE 20 1HD1 ILE 20 -8.712 24.156 -1.822 153 HD12 ILE 20 2HD1 ILE 20 -9.571 23.846 -0.313 154 HD13 ILE 20 3HD1 ILE 20 -10.225 24.994 -1.480 155 H LEU 21 H LEU 21 -3.949 25.059 0.013 156 HA LEU 21 HA LEU 21 -3.288 24.062 2.687 157 HB2 LEU 21 2HB LEU 21 -1.399 24.925 0.507 158 HB3 LEU 21 3HB LEU 21 -1.006 24.016 1.965 159 HG LEU 21 HG LEU 21 -0.959 22.385 0.333 160 HD11 LEU 21 1HD1 LEU 21 -2.896 20.978 0.656 161 HD12 LEU 21 2HD1 LEU 21 -3.835 22.354 1.233 162 HD13 LEU 21 3HD1 LEU 21 -2.467 21.763 2.176 163 HD21 LEU 21 1HD2 LEU 21 -1.742 22.783 -1.702 164 HD22 LEU 21 2HD2 LEU 21 -2.601 24.202 -1.101 165 HD23 LEU 21 3HD2 LEU 21 -3.395 22.626 -1.105 166 H THR 22 H THR 22 -2.922 25.409 4.315 167 HA THR 22 HA THR 22 -2.725 28.273 3.762 168 HB THR 22 HB THR 22 -2.789 28.112 6.477 169 HG1 THR 22 HG1 THR 22 -3.076 25.914 6.618 170 HG21 THR 22 1HG2 THR 22 -4.610 28.728 4.343 171 HG22 THR 22 2HG2 THR 22 -4.516 29.422 5.962 172 HG23 THR 22 3HG2 THR 22 -5.482 27.975 5.678 173 H SER 23 H SER 23 -0.791 25.616 4.741 174 HA SER 23 HA SER 23 1.265 27.326 5.913 175 HB2 SER 23 2HB SER 23 0.584 25.063 6.893 176 HB3 SER 23 3HB SER 23 1.429 24.337 5.526 177 HG SER 23 HG SER 23 3.319 25.026 6.301 178 H GLU 24 H GLU 24 0.430 25.942 2.925 179 HA GLU 24 HA GLU 24 3.058 25.614 1.859 180 HB2 GLU 24 2HB GLU 24 0.966 24.485 1.007 181 HB3 GLU 24 3HB GLU 24 0.503 26.030 0.307 182 HG2 GLU 24 2HG GLU 24 2.118 25.944 -1.309 183 HG3 GLU 24 3HG GLU 24 3.180 24.916 -0.348 184 H ARG 25 H ARG 25 4.417 27.163 1.278 185 HA ARG 25 HA ARG 25 3.772 29.901 1.334 186 HB2 ARG 25 2HB ARG 25 6.016 30.268 0.446 187 HB3 ARG 25 3HB ARG 25 6.043 29.051 1.715 188 HG2 ARG 25 2HG ARG 25 7.351 27.989 0.212 189 HG3 ARG 25 3HG ARG 25 5.786 27.436 -0.386 190 HD2 ARG 25 2HD ARG 25 5.835 28.840 -2.208 191 HD3 ARG 25 3HD ARG 25 6.914 29.993 -1.423 192 HE ARG 25 HE ARG 25 8.706 28.803 -2.212 193 HH11 ARG 25 1HH1 ARG 25 5.823 26.877 -2.522 194 HH12 ARG 25 2HH1 ARG 25 6.596 25.634 -3.448 195 HH21 ARG 25 1HH2 ARG 25 9.736 27.173 -3.431 196 HH22 ARG 25 2HH2 ARG 25 8.822 25.803 -3.964 197 H SER 26 H SER 26 3.310 27.541 -1.070 198 HA SER 26 HA SER 26 3.321 29.421 -3.283 199 HB2 SER 26 2HB SER 26 3.995 26.871 -3.294 200 HB3 SER 26 3HB SER 26 2.263 26.631 -3.528 201 HG SER 26 HG SER 26 4.106 27.978 -5.186 202 H GLN 27 H GLN 27 1.297 29.091 -0.858 203 HA GLN 27 HA GLN 27 -0.882 29.638 -0.500 204 HB2 GLN 27 2HB GLN 27 -0.236 30.842 -3.068 205 HB3 GLN 27 3HB GLN 27 -1.937 30.411 -2.954 206 HG2 GLN 27 2HG GLN 27 -2.291 32.268 -1.816 207 HG3 GLN 27 3HG GLN 27 -1.281 31.632 -0.519 208 HE21 GLN 27 1HE2 GLN 27 -1.109 33.356 -3.601 209 HE22 GLN 27 2HE2 GLN 27 0.253 34.332 -3.181 210 HA PRO 28 HA PRO 28 -3.324 26.157 -1.574 211 HB2 PRO 28 2HB PRO 28 -5.847 27.152 -1.462 212 HB3 PRO 28 3HB PRO 28 -4.859 26.873 -0.022 213 HG2 PRO 28 2HG PRO 28 -5.367 29.423 -1.507 214 HG3 PRO 28 3HG PRO 28 -5.333 29.135 0.242 215 HD2 PRO 28 2HD PRO 28 -3.247 30.227 -1.095 216 HD3 PRO 28 3HD PRO 28 -3.031 29.198 0.335 217 H PHE 29 H PHE 29 -2.860 25.632 -3.688 218 HA PHE 29 HA PHE 29 -4.890 26.264 -5.630 219 HB2 PHE 29 2HB PHE 29 -3.613 27.409 -7.209 220 HB3 PHE 29 3HB PHE 29 -3.079 28.127 -5.694 221 HD1 PHE 29 HD1 PHE 29 -1.834 27.447 -8.666 222 HD2 PHE 29 HD2 PHE 29 -1.195 26.209 -4.644 223 HE1 PHE 29 HE1 PHE 29 0.493 26.866 -9.218 224 HE2 PHE 29 HE2 PHE 29 1.133 25.627 -5.189 225 HZ PHE 29 HZ PHE 29 1.979 25.956 -7.478 226 H ARG 30 H ARG 30 -3.509 23.981 -4.202 227 HA ARG 30 HA ARG 30 -2.410 22.480 -6.453 228 HB2 ARG 30 2HB ARG 30 -2.388 22.168 -3.488 229 HB3 ARG 30 3HB ARG 30 -2.237 20.718 -4.471 230 HG2 ARG 30 2HG ARG 30 -0.448 23.133 -4.656 231 HG3 ARG 30 3HG ARG 30 -0.064 21.635 -3.806 232 HD2 ARG 30 2HD ARG 30 -0.451 20.455 -6.021 233 HD3 ARG 30 3HD ARG 30 -0.446 22.056 -6.758 234 HE ARG 30 HE ARG 30 1.857 21.497 -5.120 235 HH11 ARG 30 1HH1 ARG 30 0.460 21.286 -8.302 236 HH12 ARG 30 2HH1 ARG 30 1.990 21.206 -9.111 237 HH21 ARG 30 1HH2 ARG 30 3.878 21.392 -6.173 238 HH22 ARG 30 2HH2 ARG 30 3.934 21.265 -7.899 239 H VAL 31 H VAL 31 -3.748 21.358 -7.692 240 HA VAL 31 HA VAL 31 -6.230 20.303 -6.510 241 HB VAL 31 HB VAL 31 -6.651 21.844 -8.336 242 HG11 VAL 31 1HG1 VAL 31 -5.706 20.372 -10.579 243 HG12 VAL 31 2HG1 VAL 31 -5.280 22.009 -10.074 244 HG13 VAL 31 3HG1 VAL 31 -4.357 20.631 -9.473 245 HG21 VAL 31 1HG2 VAL 31 -7.961 20.363 -9.812 246 HG22 VAL 31 2HG2 VAL 31 -7.143 18.969 -9.108 247 HG23 VAL 31 3HG2 VAL 31 -8.180 19.982 -8.104 248 H ILE 32 H ILE 32 -6.683 18.165 -6.594 249 HA ILE 32 HA ILE 32 -4.628 16.422 -7.781 250 HB ILE 32 HB ILE 32 -5.575 14.677 -6.195 251 HG12 ILE 32 2HG1 ILE 32 -6.791 17.148 -4.940 252 HG13 ILE 32 3HG1 ILE 32 -7.682 15.822 -5.679 253 HG21 ILE 32 1HG2 ILE 32 -3.901 15.151 -4.769 254 HG22 ILE 32 2HG2 ILE 32 -3.547 16.442 -5.916 255 HG23 ILE 32 3HG2 ILE 32 -4.485 16.786 -4.463 256 HD11 ILE 32 1HD1 ILE 32 -5.965 15.656 -3.215 257 HD12 ILE 32 2HD1 ILE 32 -7.728 15.642 -3.273 258 HD13 ILE 32 3HD1 ILE 32 -6.812 14.304 -3.965 259 H SER 33 H SER 33 -5.191 15.254 -9.487 260 HA SER 33 HA SER 33 -8.058 14.781 -9.979 261 HB2 SER 33 2HB SER 33 -6.012 14.622 -12.162 262 HB3 SER 33 3HB SER 33 -7.723 15.040 -12.262 263 HG SER 33 HG SER 33 -7.162 17.045 -12.077 264 H ILE 34 H ILE 34 -8.720 12.752 -9.823 265 HA ILE 34 HA ILE 34 -6.980 10.572 -10.663 266 HB ILE 34 HB ILE 34 -7.235 9.289 -8.645 267 HG12 ILE 34 2HG1 ILE 34 -8.789 11.655 -7.573 268 HG13 ILE 34 3HG1 ILE 34 -9.459 10.080 -7.984 269 HG21 ILE 34 1HG2 ILE 34 -5.833 10.536 -7.156 270 HG22 ILE 34 2HG2 ILE 34 -5.375 10.935 -8.811 271 HG23 ILE 34 3HG2 ILE 34 -6.350 12.063 -7.870 272 HD11 ILE 34 1HD1 ILE 34 -7.603 9.306 -6.233 273 HD12 ILE 34 2HD1 ILE 34 -7.919 10.930 -5.620 274 HD13 ILE 34 3HD1 ILE 34 -9.239 9.770 -5.765 275 H ALA 35 H ALA 35 -8.098 8.592 -11.046 276 HA ALA 35 HA ALA 35 -10.600 8.863 -12.243 277 HB1 ALA 35 1HB ALA 35 -10.154 6.819 -12.995 278 HB2 ALA 35 2HB ALA 35 -8.675 6.864 -12.034 279 HB3 ALA 35 3HB ALA 35 -10.141 6.153 -11.361 280 H GLU 36 H GLU 36 -12.680 8.228 -11.645 281 HA GLU 36 HA GLU 36 -13.441 8.769 -9.001 282 HB2 GLU 36 2HB GLU 36 -14.919 9.004 -10.986 283 HB3 GLU 36 3HB GLU 36 -15.012 7.251 -11.089 284 HG2 GLU 36 2HG GLU 36 -16.288 7.073 -9.167 285 HG3 GLU 36 3HG GLU 36 -15.794 8.658 -8.573 286 H GLU 37 H GLU 37 -12.365 5.867 -10.509 287 HA GLU 37 HA GLU 37 -13.138 4.325 -8.119 288 HB2 GLU 37 2HB GLU 37 -13.540 3.763 -10.866 289 HB3 GLU 37 3HB GLU 37 -12.330 2.628 -10.284 290 HG2 GLU 37 2HG GLU 37 -14.482 2.839 -8.397 291 HG3 GLU 37 3HG GLU 37 -15.104 2.465 -10.004 292 H ALA 38 H ALA 38 -10.640 5.968 -9.178 293 HA ALA 38 HA ALA 38 -8.550 3.979 -8.953 294 HB1 ALA 38 1HB ALA 38 -8.682 6.865 -9.615 295 HB2 ALA 38 2HB ALA 38 -7.171 6.255 -8.939 296 HB3 ALA 38 3HB ALA 38 -7.822 5.552 -10.421 297 HA PRO 39 HA PRO 39 -7.740 4.299 -4.651 298 HB2 PRO 39 2HB PRO 39 -5.037 4.058 -4.587 299 HB3 PRO 39 3HB PRO 39 -6.113 2.705 -4.953 300 HG2 PRO 39 2HG PRO 39 -4.564 4.453 -6.826 301 HG3 PRO 39 3HG PRO 39 -4.785 2.694 -6.862 302 HD2 PRO 39 2HD PRO 39 -6.199 4.373 -8.448 303 HD3 PRO 39 3HD PRO 39 -6.871 2.850 -7.831 304 H LEU 40 H LEU 40 -6.833 5.627 -2.996 305 HA LEU 40 HA LEU 40 -6.731 8.377 -3.642 306 HB2 LEU 40 2HB LEU 40 -6.569 8.771 -1.371 307 HB3 LEU 40 3HB LEU 40 -7.402 7.220 -1.442 308 HG LEU 40 HG LEU 40 -4.784 6.453 -1.240 309 HD11 LEU 40 1HD1 LEU 40 -5.097 8.760 0.660 310 HD12 LEU 40 2HD1 LEU 40 -4.234 8.894 -0.871 311 HD13 LEU 40 3HD1 LEU 40 -3.668 7.770 0.364 312 HD21 LEU 40 1HD2 LEU 40 -6.929 5.777 0.013 313 HD22 LEU 40 2HD2 LEU 40 -6.448 6.998 1.192 314 HD23 LEU 40 3HD2 LEU 40 -5.384 5.632 0.853 315 H THR 41 H THR 41 -4.316 5.920 -3.435 316 HA THR 41 HA THR 41 -2.016 7.319 -2.842 317 HB THR 41 HB THR 41 -1.475 5.531 -5.034 318 HG1 THR 41 HG1 THR 41 -2.815 3.940 -4.646 319 HG21 THR 41 1HG2 THR 41 -0.082 4.461 -3.467 320 HG22 THR 41 2HG2 THR 41 -1.065 4.994 -2.103 321 HG23 THR 41 3HG2 THR 41 -0.077 6.157 -2.987 322 H ALA 42 H ALA 42 -3.909 7.353 -5.774 323 HA ALA 42 HA ALA 42 -2.040 8.450 -7.544 324 HB1 ALA 42 1HB ALA 42 -4.124 9.376 -8.700 325 HB2 ALA 42 2HB ALA 42 -4.009 7.627 -8.502 326 HB3 ALA 42 3HB ALA 42 -5.036 8.571 -7.423 327 H ALA 43 H ALA 43 -4.154 9.969 -5.168 328 HA ALA 43 HA ALA 43 -3.525 12.647 -5.983 329 HB1 ALA 43 1HB ALA 43 -4.885 11.554 -3.527 330 HB2 ALA 43 2HB ALA 43 -4.691 13.274 -3.866 331 HB3 ALA 43 3HB ALA 43 -5.645 12.264 -4.951 332 H LEU 44 H LEU 44 -2.285 10.366 -3.633 333 HA LEU 44 HA LEU 44 -0.862 12.000 -1.933 334 HB2 LEU 44 2HB LEU 44 -1.131 9.459 -1.914 335 HB3 LEU 44 3HB LEU 44 0.258 9.424 -2.998 336 HG LEU 44 HG LEU 44 1.180 10.955 -0.922 337 HD11 LEU 44 1HD1 LEU 44 -0.870 9.044 0.093 338 HD12 LEU 44 2HD1 LEU 44 -0.472 10.670 0.646 339 HD13 LEU 44 3HD1 LEU 44 0.596 9.321 1.033 340 HD21 LEU 44 1HD2 LEU 44 2.077 8.542 -0.200 341 HD22 LEU 44 2HD2 LEU 44 2.675 9.404 -1.618 342 HD23 LEU 44 3HD2 LEU 44 1.453 8.145 -1.802 343 H ARG 45 H ARG 45 -0.125 11.084 -5.227 344 HA ARG 45 HA ARG 45 2.558 11.701 -5.407 345 HB2 ARG 45 2HB ARG 45 1.013 10.777 -7.213 346 HB3 ARG 45 3HB ARG 45 0.554 12.444 -7.533 347 HG2 ARG 45 2HG ARG 45 2.862 12.993 -8.072 348 HG3 ARG 45 3HG ARG 45 3.347 11.334 -7.715 349 HD2 ARG 45 2HD ARG 45 1.501 10.752 -9.486 350 HD3 ARG 45 3HD ARG 45 1.784 12.409 -10.016 351 HE ARG 45 HE ARG 45 3.764 11.728 -10.921 352 HH11 ARG 45 1HH1 ARG 45 2.726 9.359 -8.591 353 HH12 ARG 45 2HH1 ARG 45 3.991 8.238 -8.972 354 HH21 ARG 45 1HH2 ARG 45 5.434 10.260 -11.433 355 HH22 ARG 45 2HH2 ARG 45 5.531 8.752 -10.588 356 H PHE 46 H PHE 46 -0.186 13.918 -5.920 357 HA PHE 46 HA PHE 46 1.603 16.201 -5.965 358 HB2 PHE 46 2HB PHE 46 -1.275 15.728 -6.545 359 HB3 PHE 46 3HB PHE 46 -0.817 17.345 -6.021 360 HD1 PHE 46 HD1 PHE 46 0.740 14.806 -8.271 361 HD2 PHE 46 HD2 PHE 46 -0.683 18.789 -7.791 362 HE1 PHE 46 HE1 PHE 46 1.465 15.338 -10.562 363 HE2 PHE 46 HE2 PHE 46 0.038 19.326 -10.081 364 HZ PHE 46 HZ PHE 46 1.113 17.600 -11.470 365 H ALA 47 H ALA 47 -0.491 14.568 -3.741 366 HA ALA 47 HA ALA 47 -1.032 16.596 -1.906 367 HB1 ALA 47 1HB ALA 47 -2.016 14.959 -0.760 368 HB2 ALA 47 2HB ALA 47 -1.517 13.881 -2.065 369 HB3 ALA 47 3HB ALA 47 -0.513 14.045 -0.625 370 H ALA 48 H ALA 48 1.826 14.586 -2.319 371 HA ALA 48 HA ALA 48 3.145 15.165 0.071 372 HB1 ALA 48 1HB ALA 48 4.459 14.724 -2.605 373 HB2 ALA 48 2HB ALA 48 5.153 14.433 -1.009 374 HB3 ALA 48 3HB ALA 48 3.821 13.433 -1.587 375 H GLU 49 H GLU 49 2.678 17.086 -2.784 376 HA GLU 49 HA GLU 49 4.754 18.982 -2.149 377 HB2 GLU 49 2HB GLU 49 2.485 19.432 -4.076 378 HB3 GLU 49 3HB GLU 49 4.090 20.150 -4.097 379 HG2 GLU 49 2HG GLU 49 4.793 17.598 -4.349 380 HG3 GLU 49 3HG GLU 49 3.179 17.504 -5.052 381 H GLU 50 H GLU 50 1.280 18.713 -1.713 382 HA GLU 50 HA GLU 50 0.705 21.348 -0.986 383 HB2 GLU 50 2HB GLU 50 -0.556 18.698 -0.412 384 HB3 GLU 50 3HB GLU 50 -1.121 20.115 0.462 385 HG2 GLU 50 2HG GLU 50 -2.451 20.557 -1.245 386 HG3 GLU 50 3HG GLU 50 -1.017 20.900 -2.211 387 H PHE 51 H PHE 51 1.767 18.604 0.988 388 HA PHE 51 HA PHE 51 1.955 20.344 3.331 389 HB2 PHE 51 2HB PHE 51 1.452 17.546 2.920 390 HB3 PHE 51 3HB PHE 51 2.862 17.738 3.957 391 HD1 PHE 51 HD1 PHE 51 2.578 19.455 5.914 392 HD2 PHE 51 HD2 PHE 51 -0.643 17.571 3.866 393 HE1 PHE 51 HE1 PHE 51 1.105 19.891 7.836 394 HE2 PHE 51 HE2 PHE 51 -2.121 18.005 5.784 395 HZ PHE 51 HZ PHE 51 -1.248 19.167 7.772 396 H GLY 52 H GLY 52 3.911 18.905 0.899 397 HA2 GLY 52 2HA GLY 52 6.140 19.362 0.429 398 HA3 GLY 52 3HA GLY 52 6.257 20.218 1.959 399 H ILE 53 H ILE 53 4.887 17.379 2.753 400 HA ILE 53 HA ILE 53 7.416 15.903 2.943 401 HB ILE 53 HB ILE 53 7.074 15.375 5.269 402 HG12 ILE 53 2HG1 ILE 53 4.614 17.129 5.098 403 HG13 ILE 53 3HG1 ILE 53 4.619 15.378 5.283 404 HG21 ILE 53 1HG2 ILE 53 8.133 17.601 4.477 405 HG22 ILE 53 2HG2 ILE 53 6.689 18.339 5.170 406 HG23 ILE 53 3HG2 ILE 53 7.767 17.385 6.189 407 HD11 ILE 53 1HD1 ILE 53 4.645 17.344 7.291 408 HD12 ILE 53 2HD1 ILE 53 4.725 15.592 7.477 409 HD13 ILE 53 3HD1 ILE 53 6.210 16.534 7.344 410 H ALA 54 H ALA 54 6.685 13.726 4.314 411 HA ALA 54 HA ALA 54 4.207 12.696 3.153 412 HB1 ALA 54 1HB ALA 54 6.950 11.611 2.613 413 HB2 ALA 54 2HB ALA 54 5.516 10.589 2.509 414 HB3 ALA 54 3HB ALA 54 5.667 12.004 1.468 415 H SER 55 H SER 55 3.424 12.689 5.298 416 HA SER 55 HA SER 55 3.700 10.278 6.682 417 HB2 SER 55 2HB SER 55 4.708 11.565 8.814 418 HB3 SER 55 3HB SER 55 5.723 10.702 7.659 419 HG SER 55 HG SER 55 6.571 12.533 7.092 420 H VAL 56 H VAL 56 3.520 13.560 8.036 421 HA VAL 56 HA VAL 56 1.151 13.002 9.492 422 HB VAL 56 HB VAL 56 1.127 15.346 10.082 423 HG11 VAL 56 1HG1 VAL 56 3.351 13.620 10.431 424 HG12 VAL 56 2HG1 VAL 56 3.960 15.267 10.257 425 HG13 VAL 56 3HG1 VAL 56 2.769 14.893 11.503 426 HG21 VAL 56 1HG2 VAL 56 2.680 15.599 7.600 427 HG22 VAL 56 2HG2 VAL 56 1.574 16.737 8.368 428 HG23 VAL 56 3HG2 VAL 56 3.237 16.604 8.938 429 H ASP 57 H ASP 57 1.763 14.166 6.291 430 HA ASP 57 HA ASP 57 -0.677 15.483 5.798 431 HB2 ASP 57 2HB ASP 57 -0.131 14.888 3.358 432 HB3 ASP 57 3HB ASP 57 1.032 15.882 4.232 433 H SER 58 H SER 58 0.043 12.192 6.244 434 HA SER 58 HA SER 58 -1.837 10.947 4.583 435 HB2 SER 58 2HB SER 58 -0.847 10.067 7.307 436 HB3 SER 58 3HB SER 58 -1.673 9.038 6.137 437 HG SER 58 HG SER 58 0.794 9.152 6.249 438 H MET 59 H MET 59 -2.186 12.611 7.624 439 HA MET 59 HA MET 59 -5.062 12.572 7.337 440 HB2 MET 59 2HB MET 59 -4.485 10.483 8.621 441 HB3 MET 59 3HB MET 59 -3.846 11.516 9.892 442 HG2 MET 59 2HG MET 59 -5.865 11.659 10.768 443 HG3 MET 59 3HG MET 59 -6.431 12.458 9.303 444 HE1 MET 59 1HE MET 59 -7.246 8.289 10.792 445 HE2 MET 59 2HE MET 59 -5.587 8.453 10.216 446 HE3 MET 59 3HE MET 59 -6.194 9.528 11.476 447 H ALA 60 H ALA 60 -4.353 14.827 6.987 448 HA ALA 60 HA ALA 60 -4.503 16.298 9.494 449 HB1 ALA 60 1HB ALA 60 -2.625 17.819 8.295 450 HB2 ALA 60 2HB ALA 60 -2.268 16.579 9.499 451 HB3 ALA 60 3HB ALA 60 -2.110 16.212 7.782 452 H ALA 61 H ALA 61 -6.654 16.503 8.397 453 HA ALA 61 HA ALA 61 -6.824 19.062 7.132 454 HB1 ALA 61 1HB ALA 61 -7.942 18.291 5.069 455 HB2 ALA 61 2HB ALA 61 -6.251 17.796 5.159 456 HB3 ALA 61 3HB ALA 61 -7.530 16.630 5.496 457 H THR 62 H THR 62 -8.993 19.834 6.965 458 HA THR 62 HA THR 62 -11.029 18.156 8.259 459 HB THR 62 HB THR 62 -11.803 20.402 9.352 460 HG1 THR 62 HG1 THR 62 -10.413 21.980 9.189 461 HG21 THR 62 1HG2 THR 62 -9.713 19.829 11.076 462 HG22 THR 62 2HG2 THR 62 -9.956 18.321 10.194 463 HG23 THR 62 3HG2 THR 62 -11.299 19.059 11.068 464 H THR 63 H THR 63 -13.214 18.765 7.808 465 HA THR 63 HA THR 63 -13.503 19.920 5.157 466 HB THR 63 HB THR 63 -14.672 17.800 5.789 467 HG1 THR 63 HG1 THR 63 -15.431 19.418 4.152 468 HG21 THR 63 1HG2 THR 63 -16.690 19.443 7.258 469 HG22 THR 63 2HG2 THR 63 -15.271 18.844 8.117 470 HG23 THR 63 3HG2 THR 63 -16.377 17.710 7.342 471 H LYS 64 H LYS 64 -15.321 21.427 4.730 472 HA LYS 64 HA LYS 64 -15.086 23.754 6.300 473 HB2 LYS 64 2HB LYS 64 -17.305 23.143 4.347 474 HB3 LYS 64 3HB LYS 64 -16.718 24.728 4.833 475 HG2 LYS 64 2HG LYS 64 -14.544 23.213 3.772 476 HG3 LYS 64 3HG LYS 64 -15.900 23.164 2.643 477 HD2 LYS 64 2HD LYS 64 -14.517 25.066 2.125 478 HD3 LYS 64 3HD LYS 64 -16.048 25.637 2.792 479 HE2 LYS 64 2HE LYS 64 -14.456 25.350 5.021 480 HE3 LYS 64 3HE LYS 64 -13.331 25.945 3.801 481 HZ1 LYS 64 1HZ LYS 64 -14.493 27.698 5.114 482 HZ2 LYS 64 2HZ LYS 64 -15.940 27.232 4.373 483 HZ3 LYS 64 3HZ LYS 64 -14.671 27.846 3.438 484 H ASP 65 H ASP 65 -17.301 21.075 6.385 485 HA ASP 65 HA ASP 65 -19.277 22.384 7.999 486 HB2 ASP 65 2HB ASP 65 -19.236 20.085 6.493 487 HB3 ASP 65 3HB ASP 65 -19.189 19.454 8.136 488 H GLY 66 H GLY 66 -16.272 20.835 8.592 489 HA2 GLY 66 2HA GLY 66 -15.732 21.600 11.072 490 HA3 GLY 66 3HA GLY 66 -16.883 20.312 11.397 491 H THR 67 H THR 67 -16.069 18.355 11.708 492 HA THR 67 HA THR 67 -13.272 17.869 11.421 493 HB THR 67 HB THR 67 -13.885 15.511 12.092 494 HG1 THR 67 HG1 THR 67 -15.963 15.007 12.409 495 HG21 THR 67 1HG2 THR 67 -13.280 17.327 13.702 496 HG22 THR 67 2HG2 THR 67 -14.341 16.090 14.377 497 HG23 THR 67 3HG2 THR 67 -15.001 17.654 13.900 498 H GLY 68 H GLY 68 -12.223 17.203 9.670 499 HA2 GLY 68 2HA GLY 68 -13.764 15.784 7.584 500 HA3 GLY 68 3HA GLY 68 -12.482 16.931 7.222 501 H ILE 69 H ILE 69 -13.113 13.825 8.812 502 HA ILE 69 HA ILE 69 -10.328 13.089 8.780 503 HB ILE 69 HB ILE 69 -12.776 11.428 9.393 504 HG12 ILE 69 2HG1 ILE 69 -10.773 12.409 11.401 505 HG13 ILE 69 3HG1 ILE 69 -12.078 13.465 10.872 506 HG21 ILE 69 1HG2 ILE 69 -10.650 10.253 10.660 507 HG22 ILE 69 2HG2 ILE 69 -11.373 9.705 9.148 508 HG23 ILE 69 3HG2 ILE 69 -9.952 10.749 9.118 509 HD11 ILE 69 1HD1 ILE 69 -12.361 12.007 12.996 510 HD12 ILE 69 2HD1 ILE 69 -13.700 12.171 11.859 511 HD13 ILE 69 3HD1 ILE 69 -12.702 10.717 11.843 512 H ASN 70 H ASN 70 -9.286 11.771 7.373 513 HA ASN 70 HA ASN 70 -10.797 10.935 4.990 514 HB2 ASN 70 2HB ASN 70 -7.810 11.115 5.013 515 HB3 ASN 70 3HB ASN 70 -8.933 11.346 3.676 516 HD21 ASN 70 1HD2 ASN 70 -7.581 12.791 6.559 517 HD22 ASN 70 2HD2 ASN 70 -7.952 14.427 6.144 518 HA PRO 71 HA PRO 71 -9.710 6.984 7.095 519 HB2 PRO 71 2HB PRO 71 -12.004 5.723 6.373 520 HB3 PRO 71 3HB PRO 71 -11.882 6.748 7.807 521 HG2 PRO 71 2HG PRO 71 -12.979 7.401 5.099 522 HG3 PRO 71 3HG PRO 71 -13.630 7.808 6.698 523 HD2 PRO 71 2HD PRO 71 -12.245 9.583 5.193 524 HD3 PRO 71 3HD PRO 71 -12.193 9.590 6.968 525 H ALA 72 H ALA 72 -11.410 7.272 3.969 526 HA ALA 72 HA ALA 72 -9.633 5.184 2.897 527 HB1 ALA 72 1HB ALA 72 -11.313 4.449 1.530 528 HB2 ALA 72 2HB ALA 72 -12.260 5.033 2.898 529 HB3 ALA 72 3HB ALA 72 -12.093 6.029 1.452 530 H GLN 73 H GLN 73 -10.718 8.467 2.523 531 HA GLN 73 HA GLN 73 -10.067 10.174 1.166 532 HB2 GLN 73 2HB GLN 73 -7.554 8.656 0.548 533 HB3 GLN 73 3HB GLN 73 -7.775 10.388 0.756 534 HG2 GLN 73 2HG GLN 73 -8.486 9.457 3.207 535 HG3 GLN 73 3HG GLN 73 -7.240 8.303 2.736 536 HE21 GLN 73 1HE2 GLN 73 -5.446 8.866 3.743 537 HE22 GLN 73 2HE2 GLN 73 -4.778 10.458 3.811 538 H THR 74 H THR 74 -11.363 7.694 0.023 539 HA THR 74 HA THR 74 -10.354 7.492 -2.664 540 HB THR 74 HB THR 74 -13.075 6.532 -1.833 541 HG1 THR 74 HG1 THR 74 -10.574 5.638 -0.943 542 HG21 THR 74 1HG2 THR 74 -10.985 5.698 -3.824 543 HG22 THR 74 2HG2 THR 74 -12.672 6.125 -4.106 544 HG23 THR 74 3HG2 THR 74 -12.268 4.598 -3.322 545 H ALA 75 H ALA 75 -11.737 7.904 -4.563 546 HA ALA 75 HA ALA 75 -12.597 10.576 -4.656 547 HB1 ALA 75 1HB ALA 75 -11.866 9.692 -6.685 548 HB2 ALA 75 2HB ALA 75 -12.887 8.261 -6.539 549 HB3 ALA 75 3HB ALA 75 -13.612 9.829 -6.894 550 H GLY 76 H GLY 76 -14.443 7.539 -4.540 551 HA2 GLY 76 2HA GLY 76 -16.999 8.755 -4.667 552 HA3 GLY 76 3HA GLY 76 -16.660 7.129 -4.094 553 H ASN 77 H ASN 77 -14.919 7.856 -1.958 554 HA ASN 77 HA ASN 77 -16.871 8.409 0.046 555 HB2 ASN 77 2HB ASN 77 -13.928 7.865 0.034 556 HB3 ASN 77 3HB ASN 77 -14.671 8.518 1.491 557 HD21 ASN 77 1HD2 ASN 77 -15.178 5.967 -0.919 558 HD22 ASN 77 2HD2 ASN 77 -15.709 4.771 0.210 559 H VAL 78 H VAL 78 -13.916 10.148 -0.942 560 HA VAL 78 HA VAL 78 -14.302 12.414 0.638 561 HB VAL 78 HB VAL 78 -12.936 12.244 -2.052 562 HG11 VAL 78 1HG1 VAL 78 -11.634 14.183 -0.689 563 HG12 VAL 78 2HG1 VAL 78 -12.940 14.487 -1.836 564 HG13 VAL 78 3HG1 VAL 78 -13.281 14.424 -0.107 565 HG21 VAL 78 1HG2 VAL 78 -10.945 11.734 -0.925 566 HG22 VAL 78 2HG2 VAL 78 -11.613 12.183 0.644 567 HG23 VAL 78 3HG2 VAL 78 -12.160 10.710 -0.158 568 H PHE 79 H PHE 79 -15.619 11.556 -2.493 569 HA PHE 79 HA PHE 79 -16.528 14.021 -3.378 570 HB2 PHE 79 2HB PHE 79 -16.674 12.129 -4.835 571 HB3 PHE 79 3HB PHE 79 -17.709 11.262 -3.705 572 HD1 PHE 79 HD1 PHE 79 -17.623 14.381 -5.736 573 HD2 PHE 79 HD2 PHE 79 -19.992 11.293 -4.015 574 HE1 PHE 79 HE1 PHE 79 -19.610 15.272 -6.881 575 HE2 PHE 79 HE2 PHE 79 -21.983 12.178 -5.158 576 HZ PHE 79 HZ PHE 79 -21.793 14.170 -6.594 577 H MET 80 H MET 80 -18.019 11.765 -1.104 578 HA MET 80 HA MET 80 -20.241 13.615 -0.678 579 HB2 MET 80 2HB MET 80 -19.966 10.793 -0.587 580 HB3 MET 80 3HB MET 80 -20.363 11.330 1.040 581 HG2 MET 80 2HG MET 80 -22.466 11.800 0.491 582 HG3 MET 80 3HG MET 80 -21.990 12.609 -1.000 583 HE1 MET 80 1HE MET 80 -24.743 9.916 -1.882 584 HE2 MET 80 2HE MET 80 -24.466 9.937 -0.140 585 HE3 MET 80 3HE MET 80 -24.514 11.451 -1.044 586 H LYS 81 H LYS 81 -17.261 12.669 0.719 587 HA LYS 81 HA LYS 81 -17.860 13.387 3.421 588 HB2 LYS 81 2HB LYS 81 -15.913 11.913 2.370 589 HB3 LYS 81 3HB LYS 81 -15.064 13.454 2.390 590 HG2 LYS 81 2HG LYS 81 -14.522 13.029 4.494 591 HG3 LYS 81 3HG LYS 81 -16.223 13.250 4.911 592 HD2 LYS 81 2HD LYS 81 -14.989 10.634 4.051 593 HD3 LYS 81 3HD LYS 81 -15.279 11.106 5.727 594 HE2 LYS 81 2HE LYS 81 -17.635 11.145 5.388 595 HE3 LYS 81 3HE LYS 81 -17.449 10.985 3.642 596 HZ1 LYS 81 1HZ LYS 81 -16.851 8.931 5.698 597 HZ2 LYS 81 2HZ LYS 81 -16.449 8.771 4.063 598 HZ3 LYS 81 3HZ LYS 81 -18.072 8.880 4.527 599 H TYR 82 H TYR 82 -15.864 14.947 0.908 600 HA TYR 82 HA TYR 82 -16.351 17.518 2.266 601 HB2 TYR 82 2HB TYR 82 -13.998 17.016 0.465 602 HB3 TYR 82 3HB TYR 82 -14.196 18.253 1.701 603 HD1 TYR 82 HD1 TYR 82 -15.032 16.719 4.037 604 HD2 TYR 82 HD2 TYR 82 -12.132 15.776 1.069 605 HE1 TYR 82 HE1 TYR 82 -13.847 15.296 5.655 606 HE2 TYR 82 HE2 TYR 82 -10.940 14.349 2.679 607 HH TYR 82 HH TYR 82 -10.961 14.449 5.592 608 H GLY 83 H GLY 83 -16.395 15.750 -0.724 609 HA2 GLY 83 2HA GLY 83 -17.135 16.289 -2.832 610 HA3 GLY 83 3HA GLY 83 -18.259 17.346 -1.991 611 H GLN 84 H GLN 84 -14.848 17.244 -3.014 612 HA GLN 84 HA GLN 84 -13.442 18.880 -3.752 613 HB2 GLN 84 2HB GLN 84 -16.064 19.561 -5.040 614 HB3 GLN 84 3HB GLN 84 -14.663 20.594 -5.291 615 HG2 GLN 84 2HG GLN 84 -13.490 18.947 -6.427 616 HG3 GLN 84 3HG GLN 84 -14.493 17.650 -5.778 617 HE21 GLN 84 1HE2 GLN 84 -16.770 17.642 -6.485 618 HE22 GLN 84 2HE2 GLN 84 -17.120 18.115 -8.109 619 H GLU 85 H GLU 85 -13.775 19.368 -1.230 620 HA GLU 85 HA GLU 85 -13.452 22.143 -0.943 621 HB2 GLU 85 2HB GLU 85 -16.052 21.740 -1.206 622 HB3 GLU 85 3HB GLU 85 -15.933 21.303 0.492 623 HG2 GLU 85 2HG GLU 85 -14.879 23.502 0.932 624 HG3 GLU 85 3HG GLU 85 -15.168 23.932 -0.753 625 H ILE 86 H ILE 86 -11.606 21.172 0.066 626 HA ILE 86 HA ILE 86 -12.105 20.544 2.885 627 HB ILE 86 HB ILE 86 -11.799 18.378 1.847 628 HG12 ILE 86 2HG1 ILE 86 -9.319 19.271 3.334 629 HG13 ILE 86 3HG1 ILE 86 -10.820 18.719 4.069 630 HG21 ILE 86 1HG2 ILE 86 -10.597 19.177 -0.156 631 HG22 ILE 86 2HG2 ILE 86 -9.154 19.404 0.830 632 HG23 ILE 86 3HG2 ILE 86 -9.818 17.787 0.599 633 HD11 ILE 86 1HD1 ILE 86 -10.033 16.690 2.309 634 HD12 ILE 86 2HD1 ILE 86 -8.576 17.199 3.163 635 HD13 ILE 86 3HD1 ILE 86 -9.993 16.672 4.072 636 H ARG 87 H ARG 87 -10.523 21.231 4.299 637 HA ARG 87 HA ARG 87 -8.430 22.926 3.110 638 HB2 ARG 87 2HB ARG 87 -8.530 24.313 5.048 639 HB3 ARG 87 3HB ARG 87 -10.186 24.045 4.522 640 HG2 ARG 87 2HG ARG 87 -10.676 23.392 6.576 641 HG3 ARG 87 3HG ARG 87 -9.624 21.994 6.343 642 HD2 ARG 87 2HD ARG 87 -8.648 22.901 8.196 643 HD3 ARG 87 3HD ARG 87 -7.747 23.752 6.941 644 HE ARG 87 HE ARG 87 -10.113 25.138 7.793 645 HH11 ARG 87 1HH1 ARG 87 -6.741 24.571 8.448 646 HH12 ARG 87 2HH1 ARG 87 -6.520 26.066 9.295 647 HH21 ARG 87 1HH2 ARG 87 -9.834 27.110 8.905 648 HH22 ARG 87 2HH2 ARG 87 -8.280 27.510 9.555 649 H LEU 88 H LEU 88 -6.330 22.843 3.912 650 HA LEU 88 HA LEU 88 -5.622 20.313 5.158 651 HB2 LEU 88 2HB LEU 88 -4.461 21.288 3.130 652 HB3 LEU 88 3HB LEU 88 -3.754 22.477 4.222 653 HG LEU 88 HG LEU 88 -3.184 19.987 5.364 654 HD11 LEU 88 1HD1 LEU 88 -2.020 19.721 2.697 655 HD12 LEU 88 2HD1 LEU 88 -3.762 19.452 2.750 656 HD13 LEU 88 3HD1 LEU 88 -2.692 18.495 3.774 657 HD21 LEU 88 1HD2 LEU 88 -1.532 21.516 5.646 658 HD22 LEU 88 2HD2 LEU 88 -1.720 22.186 4.026 659 HD23 LEU 88 3HD2 LEU 88 -0.855 20.666 4.257 660 H ILE 89 H ILE 89 -5.172 20.090 7.244 661 HA ILE 89 HA ILE 89 -4.163 22.387 8.756 662 HB ILE 89 HB ILE 89 -6.596 22.335 9.125 663 HG12 ILE 89 2HG1 ILE 89 -4.940 21.480 11.510 664 HG13 ILE 89 3HG1 ILE 89 -5.139 23.126 10.918 665 HG21 ILE 89 1HG2 ILE 89 -7.751 20.463 9.467 666 HG22 ILE 89 2HG2 ILE 89 -6.274 19.583 9.075 667 HG23 ILE 89 3HG2 ILE 89 -6.664 19.945 10.756 668 HD11 ILE 89 1HD1 ILE 89 -6.582 23.021 12.720 669 HD12 ILE 89 2HD1 ILE 89 -7.647 22.734 11.342 670 HD13 ILE 89 3HD1 ILE 89 -7.105 21.381 12.335 671 HA PRO 90 HA PRO 90 -1.375 19.269 10.205 672 HB2 PRO 90 2HB PRO 90 -0.207 20.742 12.163 673 HB3 PRO 90 3HB PRO 90 0.146 20.974 10.446 674 HG2 PRO 90 2HG PRO 90 -1.685 22.531 12.231 675 HG3 PRO 90 3HG PRO 90 -0.540 23.122 11.013 676 HD2 PRO 90 2HD PRO 90 -3.198 22.925 10.538 677 HD3 PRO 90 3HD PRO 90 -1.981 22.693 9.266 678 H ARG 91 H ARG 91 -2.792 17.758 11.110 679 HA ARG 91 HA ARG 91 -3.406 18.166 13.964 680 HB2 ARG 91 2HB ARG 91 -5.281 17.864 12.085 681 HB3 ARG 91 3HB ARG 91 -4.935 16.166 12.380 682 HG2 ARG 91 2HG ARG 91 -5.269 17.661 14.843 683 HG3 ARG 91 3HG ARG 91 -6.687 17.753 13.795 684 HD2 ARG 91 2HD ARG 91 -6.192 15.141 13.590 685 HD3 ARG 91 3HD ARG 91 -5.488 15.424 15.181 686 HE ARG 91 HE ARG 91 -8.135 16.508 14.858 687 HH11 ARG 91 1HH1 ARG 91 -6.260 13.708 15.734 688 HH12 ARG 91 2HH1 ARG 91 -7.516 13.008 16.700 689 HH21 ARG 91 1HH2 ARG 91 -9.796 15.596 16.127 690 HH22 ARG 91 2HH2 ARG 91 -9.527 14.082 16.922 691 H ASP 92 H ASP 92 -3.440 16.197 15.278 692 HA ASP 92 HA ASP 92 -2.480 14.306 16.099 693 HB2 ASP 92 2HB ASP 92 -3.449 13.552 13.706 694 HB3 ASP 92 3HB ASP 92 -1.735 13.259 13.424 695 H ARG 93 H ARG 93 -0.883 16.709 15.370 696 HA ARG 93 HA ARG 93 1.753 15.412 15.449 697 HB2 ARG 93 2HB ARG 93 1.056 16.527 13.185 698 HB3 ARG 93 3HB ARG 93 1.407 18.028 14.031 699 HG2 ARG 93 2HG ARG 93 3.679 17.364 14.396 700 HG3 ARG 93 3HG ARG 93 3.357 15.755 13.747 701 HD2 ARG 93 2HD ARG 93 4.155 16.629 11.835 702 HD3 ARG 93 3HD ARG 93 2.535 17.308 11.689 703 HE ARG 93 HE ARG 93 3.459 19.373 11.928 704 HH11 ARG 93 1HH1 ARG 93 5.626 17.032 13.323 705 HH12 ARG 93 2HH1 ARG 93 6.859 18.194 13.682 706 HH21 ARG 93 1HH2 ARG 93 5.076 20.913 12.395 707 HH22 ARG 93 2HH2 ARG 93 6.545 20.402 13.154 708 H VAL 94 H VAL 94 0.319 18.675 15.684 709 HA VAL 94 HA VAL 94 2.135 19.344 17.845 710 HB VAL 94 HB VAL 94 -0.051 20.986 16.557 711 HG11 VAL 94 1HG1 VAL 94 2.096 21.732 18.537 712 HG12 VAL 94 2HG1 VAL 94 1.123 22.899 17.639 713 HG13 VAL 94 3HG1 VAL 94 0.350 21.795 18.778 714 HG21 VAL 94 1HG2 VAL 94 1.579 20.638 14.910 715 HG22 VAL 94 2HG2 VAL 94 1.991 22.203 15.611 716 HG23 VAL 94 3HG2 VAL 94 2.904 20.764 16.067 717 H GLY 95 H GLY 95 -1.272 18.623 17.378 718 HA2 GLY 95 2HA GLY 95 -2.008 19.357 20.068 719 HA3 GLY 95 3HA GLY 95 -3.032 18.557 18.885 Start of MODEL 16 1 H1 MET 1 H MET 1 15.252 0.524 -3.942 2 HA MET 1 HA MET 1 13.889 -1.627 -4.217 3 HB2 MET 1 2HB MET 1 12.057 -0.096 -2.372 4 HB3 MET 1 3HB MET 1 11.833 -1.723 -2.999 5 HG2 MET 1 2HG MET 1 12.773 -2.513 -1.166 6 HG3 MET 1 3HG MET 1 14.286 -1.751 -1.652 7 HE1 MET 1 1HE MET 1 11.579 -1.083 1.684 8 HE2 MET 1 2HE MET 1 10.852 -0.039 0.463 9 HE3 MET 1 3HE MET 1 11.137 -1.744 0.109 10 H SER 2 H SER 2 11.377 -1.308 -4.988 11 HA SER 2 HA SER 2 10.960 1.259 -6.251 12 HB2 SER 2 2HB SER 2 12.542 -0.319 -7.692 13 HB3 SER 2 3HB SER 2 10.999 -1.032 -8.164 14 HG SER 2 HG SER 2 11.758 1.694 -8.405 15 H GLN 3 H GLN 3 8.923 1.543 -5.592 16 HA GLN 3 HA GLN 3 7.000 -0.638 -6.070 17 HB2 GLN 3 2HB GLN 3 7.586 0.581 -3.662 18 HB3 GLN 3 3HB GLN 3 6.136 1.425 -4.190 19 HG2 GLN 3 2HG GLN 3 5.798 -1.383 -4.593 20 HG3 GLN 3 3HG GLN 3 6.330 -1.082 -2.939 21 HE21 GLN 3 1HE2 GLN 3 5.162 0.932 -1.976 22 HE22 GLN 3 2HE2 GLN 3 3.444 0.922 -2.156 23 H ASN 4 H ASN 4 4.815 0.023 -6.632 24 HA ASN 4 HA ASN 4 4.862 2.330 -8.420 25 HB2 ASN 4 2HB ASN 4 2.678 1.372 -9.236 26 HB3 ASN 4 3HB ASN 4 4.072 0.317 -9.447 27 HD21 ASN 4 1HD2 ASN 4 4.237 -1.552 -8.240 28 HD22 ASN 4 2HD2 ASN 4 2.910 -2.197 -7.341 29 H GLU 5 H GLU 5 4.094 4.216 -7.762 30 HA GLU 5 HA GLU 5 1.913 4.233 -5.779 31 HB2 GLU 5 2HB GLU 5 2.851 6.389 -4.956 32 HB3 GLU 5 3HB GLU 5 3.913 5.013 -4.692 33 HG2 GLU 5 2HG GLU 5 5.268 5.656 -6.593 34 HG3 GLU 5 3HG GLU 5 4.176 6.995 -6.942 35 H GLU 6 H GLU 6 1.509 4.183 -8.569 36 HA GLU 6 HA GLU 6 0.043 6.673 -8.875 37 HB2 GLU 6 2HB GLU 6 0.906 6.940 -11.230 38 HB3 GLU 6 3HB GLU 6 2.060 7.317 -9.959 39 HG2 GLU 6 2HG GLU 6 3.494 5.851 -10.775 40 HG3 GLU 6 3HG GLU 6 2.302 4.560 -10.634 41 H ALA 7 H ALA 7 -1.938 6.206 -9.544 42 HA ALA 7 HA ALA 7 -2.636 3.573 -10.411 43 HB1 ALA 7 1HB ALA 7 -4.062 6.042 -9.697 44 HB2 ALA 7 2HB ALA 7 -4.875 5.017 -10.881 45 HB3 ALA 7 3HB ALA 7 -4.429 4.362 -9.306 46 HA PRO 8 HA PRO 8 -2.494 3.927 -14.782 47 HB2 PRO 8 2HB PRO 8 -4.735 2.601 -15.549 48 HB3 PRO 8 3HB PRO 8 -3.314 1.784 -14.887 49 HG2 PRO 8 2HG PRO 8 -5.865 2.552 -13.521 50 HG3 PRO 8 3HG PRO 8 -4.938 1.046 -13.394 51 HD2 PRO 8 2HD PRO 8 -4.804 3.000 -11.525 52 HD3 PRO 8 3HD PRO 8 -3.422 1.955 -11.915 53 H ALA 9 H ALA 9 -5.719 4.631 -13.450 54 HA ALA 9 HA ALA 9 -7.309 6.162 -14.014 55 HB1 ALA 9 1HB ALA 9 -4.858 7.694 -14.870 56 HB2 ALA 9 2HB ALA 9 -6.472 8.388 -14.715 57 HB3 ALA 9 3HB ALA 9 -5.648 7.746 -13.294 58 H ARG 10 H ARG 10 -7.445 4.248 -15.778 59 HA ARG 10 HA ARG 10 -7.631 5.614 -18.382 60 HB2 ARG 10 2HB ARG 10 -5.834 4.026 -18.545 61 HB3 ARG 10 3HB ARG 10 -6.815 2.764 -17.810 62 HG2 ARG 10 2HG ARG 10 -7.931 3.944 -20.257 63 HG3 ARG 10 3HG ARG 10 -6.426 3.046 -20.465 64 HD2 ARG 10 2HD ARG 10 -7.677 1.282 -18.955 65 HD3 ARG 10 3HD ARG 10 -9.107 2.096 -19.587 66 HE ARG 10 HE ARG 10 -8.753 1.035 -21.570 67 HH11 ARG 10 1HH1 ARG 10 -5.752 1.107 -19.806 68 HH12 ARG 10 2HH1 ARG 10 -4.896 0.148 -20.967 69 HH21 ARG 10 1HH2 ARG 10 -7.636 -0.229 -23.106 70 HH22 ARG 10 2HH2 ARG 10 -5.968 -0.611 -22.844 71 H SER 11 H SER 11 -8.781 2.656 -16.745 72 HA SER 11 HA SER 11 -11.345 2.921 -18.111 73 HB2 SER 11 2HB SER 11 -9.803 0.726 -17.399 74 HB3 SER 11 3HB SER 11 -11.117 0.707 -16.222 75 HG SER 11 HG SER 11 -12.387 0.038 -17.743 76 H GLY 12 H GLY 12 -12.906 4.069 -17.196 77 HA2 GLY 12 2HA GLY 12 -14.431 3.901 -15.170 78 HA3 GLY 12 3HA GLY 12 -12.973 4.245 -14.250 79 H GLY 13 H GLY 13 -14.134 6.080 -13.392 80 HA2 GLY 13 2HA GLY 13 -14.552 8.275 -15.301 81 HA3 GLY 13 3HA GLY 13 -15.187 8.205 -13.664 82 H LYS 14 H LYS 14 -14.251 10.481 -13.844 83 HA LYS 14 HA LYS 14 -11.616 10.430 -12.590 84 HB2 LYS 14 2HB LYS 14 -12.006 11.244 -15.275 85 HB3 LYS 14 3HB LYS 14 -11.718 12.703 -14.337 86 HG2 LYS 14 2HG LYS 14 -9.624 11.866 -13.548 87 HG3 LYS 14 3HG LYS 14 -9.936 10.279 -14.258 88 HD2 LYS 14 2HD LYS 14 -9.524 11.007 -16.400 89 HD3 LYS 14 3HD LYS 14 -9.955 12.678 -16.028 90 HE2 LYS 14 2HE LYS 14 -7.534 11.397 -14.811 91 HE3 LYS 14 3HE LYS 14 -7.474 12.092 -16.430 92 HZ1 LYS 14 1HZ LYS 14 -8.475 14.149 -15.286 93 HZ2 LYS 14 2HZ LYS 14 -6.825 13.835 -15.088 94 HZ3 LYS 14 3HZ LYS 14 -7.913 13.449 -13.852 95 H VAL 15 H VAL 15 -11.414 11.872 -10.966 96 HA VAL 15 HA VAL 15 -13.340 14.075 -10.774 97 HB VAL 15 HB VAL 15 -14.313 12.293 -9.439 98 HG11 VAL 15 1HG1 VAL 15 -13.063 11.501 -7.401 99 HG12 VAL 15 2HG1 VAL 15 -12.445 10.914 -8.946 100 HG13 VAL 15 3HG1 VAL 15 -11.616 12.223 -8.104 101 HG21 VAL 15 1HG2 VAL 15 -14.510 13.461 -7.322 102 HG22 VAL 15 2HG2 VAL 15 -13.051 14.388 -7.671 103 HG23 VAL 15 3HG2 VAL 15 -14.498 14.620 -8.652 104 H THR 16 H THR 16 -12.569 15.902 -9.803 105 HA THR 16 HA THR 16 -9.732 15.843 -9.012 106 HB THR 16 HB THR 16 -10.189 17.223 -10.999 107 HG1 THR 16 HG1 THR 16 -8.516 18.098 -9.962 108 HG21 THR 16 1HG2 THR 16 -11.532 19.372 -9.549 109 HG22 THR 16 2HG2 THR 16 -12.517 17.918 -9.709 110 HG23 THR 16 3HG2 THR 16 -11.866 18.704 -11.147 111 H PHE 17 H PHE 17 -9.053 17.219 -7.276 112 HA PHE 17 HA PHE 17 -11.173 18.170 -5.493 113 HB2 PHE 17 2HB PHE 17 -9.829 15.770 -5.049 114 HB3 PHE 17 3HB PHE 17 -9.015 16.923 -3.997 115 HD1 PHE 17 HD1 PHE 17 -12.292 15.442 -4.834 116 HD2 PHE 17 HD2 PHE 17 -10.035 17.707 -2.025 117 HE1 PHE 17 HE1 PHE 17 -14.120 15.231 -3.200 118 HE2 PHE 17 HE2 PHE 17 -11.858 17.500 -0.386 119 HZ PHE 17 HZ PHE 17 -13.904 16.260 -0.973 120 H ARG 18 H ARG 18 -10.736 20.105 -4.642 121 HA ARG 18 HA ARG 18 -8.029 21.180 -5.004 122 HB2 ARG 18 2HB ARG 18 -10.560 22.718 -4.414 123 HB3 ARG 18 3HB ARG 18 -9.014 23.372 -4.938 124 HG2 ARG 18 2HG ARG 18 -10.027 23.389 -6.945 125 HG3 ARG 18 3HG ARG 18 -9.512 21.702 -6.978 126 HD2 ARG 18 2HD ARG 18 -11.618 20.985 -6.982 127 HD3 ARG 18 3HD ARG 18 -12.020 21.985 -5.587 128 HE ARG 18 HE ARG 18 -12.627 22.533 -8.318 129 HH11 ARG 18 1HH1 ARG 18 -11.863 24.022 -5.265 130 HH12 ARG 18 2HH1 ARG 18 -12.677 25.506 -5.637 131 HH21 ARG 18 1HH2 ARG 18 -13.701 24.482 -8.820 132 HH22 ARG 18 2HH2 ARG 18 -13.722 25.766 -7.659 133 H ILE 19 H ILE 19 -6.762 21.470 -3.298 134 HA ILE 19 HA ILE 19 -8.013 21.679 -0.637 135 HB ILE 19 HB ILE 19 -6.958 19.522 -0.782 136 HG12 ILE 19 2HG1 ILE 19 -5.336 19.697 1.050 137 HG13 ILE 19 3HG1 ILE 19 -5.188 21.428 0.767 138 HG21 ILE 19 1HG2 ILE 19 -5.015 20.950 -2.335 139 HG22 ILE 19 2HG2 ILE 19 -4.218 20.066 -1.036 140 HG23 ILE 19 3HG2 ILE 19 -5.257 19.210 -2.175 141 HD11 ILE 19 1HD1 ILE 19 -7.937 20.783 1.146 142 HD12 ILE 19 2HD1 ILE 19 -6.986 20.089 2.460 143 HD13 ILE 19 3HD1 ILE 19 -6.888 21.816 2.118 144 H ILE 20 H ILE 20 -7.432 23.372 0.577 145 HA ILE 20 HA ILE 20 -5.372 25.167 -0.483 146 HB ILE 20 HB ILE 20 -7.367 25.764 1.699 147 HG12 ILE 20 2HG1 ILE 20 -8.557 25.180 -0.363 148 HG13 ILE 20 3HG1 ILE 20 -8.697 26.902 -0.028 149 HG21 ILE 20 1HG2 ILE 20 -5.209 27.236 0.396 150 HG22 ILE 20 2HG2 ILE 20 -6.743 28.104 0.425 151 HG23 ILE 20 3HG2 ILE 20 -6.022 27.537 1.931 152 HD11 ILE 20 1HD1 ILE 20 -6.425 26.577 -1.651 153 HD12 ILE 20 2HD1 ILE 20 -7.710 25.597 -2.357 154 HD13 ILE 20 3HD1 ILE 20 -7.970 27.317 -2.069 155 H LEU 21 H LEU 21 -3.427 25.158 0.410 156 HA LEU 21 HA LEU 21 -3.059 23.979 3.055 157 HB2 LEU 21 2HB LEU 21 -0.958 24.915 1.111 158 HB3 LEU 21 3HB LEU 21 -0.720 23.892 2.527 159 HG LEU 21 HG LEU 21 -0.600 22.377 0.790 160 HD11 LEU 21 1HD1 LEU 21 -3.540 22.402 1.449 161 HD12 LEU 21 2HD1 LEU 21 -2.280 21.701 2.463 162 HD13 LEU 21 3HD1 LEU 21 -2.600 21.029 0.865 163 HD21 LEU 21 1HD2 LEU 21 -1.240 22.880 -1.273 164 HD22 LEU 21 2HD2 LEU 21 -1.978 24.358 -0.655 165 HD23 LEU 21 3HD2 LEU 21 -2.935 22.881 -0.786 166 H THR 22 H THR 22 -2.230 25.059 4.798 167 HA THR 22 HA THR 22 -2.303 27.976 4.633 168 HB THR 22 HB THR 22 -1.806 27.150 7.297 169 HG1 THR 22 HG1 THR 22 -3.198 25.523 7.631 170 HG21 THR 22 1HG2 THR 22 -3.079 29.088 6.887 171 HG22 THR 22 2HG2 THR 22 -4.228 27.929 7.555 172 HG23 THR 22 3HG2 THR 22 -4.190 28.232 5.819 173 H SER 23 H SER 23 -0.085 25.357 5.046 174 HA SER 23 HA SER 23 2.035 27.107 6.019 175 HB2 SER 23 2HB SER 23 1.734 24.802 6.955 176 HB3 SER 23 3HB SER 23 2.175 24.153 5.376 177 HG SER 23 HG SER 23 4.017 24.223 6.618 178 H GLU 24 H GLU 24 0.809 25.923 3.081 179 HA GLU 24 HA GLU 24 3.354 26.349 1.685 180 HB2 GLU 24 2HB GLU 24 1.748 24.290 1.364 181 HB3 GLU 24 3HB GLU 24 0.875 25.394 0.312 182 HG2 GLU 24 2HG GLU 24 2.393 25.236 -1.312 183 HG3 GLU 24 3HG GLU 24 3.745 25.348 -0.187 184 H ARG 25 H ARG 25 2.811 28.704 2.370 185 HA ARG 25 HA ARG 25 0.800 30.133 1.005 186 HB2 ARG 25 2HB ARG 25 3.107 30.756 2.689 187 HB3 ARG 25 3HB ARG 25 2.807 31.975 1.458 188 HG2 ARG 25 2HG ARG 25 0.660 30.967 3.300 189 HG3 ARG 25 3HG ARG 25 1.698 32.340 3.691 190 HD2 ARG 25 2HD ARG 25 0.946 33.197 1.339 191 HD3 ARG 25 3HD ARG 25 -0.396 32.078 1.578 192 HE ARG 25 HE ARG 25 -0.234 33.583 3.884 193 HH11 ARG 25 1HH1 ARG 25 -0.760 34.170 0.493 194 HH12 ARG 25 2HH1 ARG 25 -1.746 35.570 0.755 195 HH21 ARG 25 1HH2 ARG 25 -1.530 35.425 4.242 196 HH22 ARG 25 2HH2 ARG 25 -2.183 36.283 2.888 197 H SER 26 H SER 26 3.828 28.893 -0.013 198 HA SER 26 HA SER 26 4.547 30.687 -2.025 199 HB2 SER 26 2HB SER 26 5.405 28.147 -1.130 200 HB3 SER 26 3HB SER 26 5.105 27.991 -2.860 201 HG SER 26 HG SER 26 7.168 29.143 -1.644 202 H GLN 27 H GLN 27 2.129 28.164 -1.963 203 HA GLN 27 HA GLN 27 0.706 29.226 -4.146 204 HB2 GLN 27 2HB GLN 27 2.565 28.286 -5.452 205 HB3 GLN 27 3HB GLN 27 2.259 26.703 -4.750 206 HG2 GLN 27 2HG GLN 27 -0.167 27.198 -5.745 207 HG3 GLN 27 3HG GLN 27 0.800 28.160 -6.862 208 HE21 GLN 27 1HE2 GLN 27 1.294 27.110 -8.635 209 HE22 GLN 27 2HE2 GLN 27 1.616 25.418 -8.769 210 HA PRO 28 HA PRO 28 -1.441 26.263 -1.250 211 HB2 PRO 28 2HB PRO 28 -3.316 28.041 -0.416 212 HB3 PRO 28 3HB PRO 28 -1.737 27.874 0.361 213 HG2 PRO 28 2HG PRO 28 -2.656 29.897 -1.644 214 HG3 PRO 28 3HG PRO 28 -1.686 30.135 -0.180 215 HD2 PRO 28 2HD PRO 28 -0.588 30.019 -2.652 216 HD3 PRO 28 3HD PRO 28 0.258 29.438 -1.203 217 H PHE 29 H PHE 29 -1.929 25.400 -3.463 218 HA PHE 29 HA PHE 29 -4.702 25.291 -3.891 219 HB2 PHE 29 2HB PHE 29 -3.921 27.612 -4.883 220 HB3 PHE 29 3HB PHE 29 -3.413 26.614 -6.241 221 HD1 PHE 29 HD1 PHE 29 -4.932 26.054 -7.890 222 HD2 PHE 29 HD2 PHE 29 -6.361 27.326 -4.088 223 HE1 PHE 29 HE1 PHE 29 -7.232 26.069 -8.763 224 HE2 PHE 29 HE2 PHE 29 -8.663 27.342 -4.955 225 HZ PHE 29 HZ PHE 29 -9.102 26.712 -7.295 226 H ARG 30 H ARG 30 -3.308 23.201 -3.552 227 HA ARG 30 HA ARG 30 -2.264 22.174 -6.077 228 HB2 ARG 30 2HB ARG 30 -1.072 21.844 -3.865 229 HB3 ARG 30 3HB ARG 30 -2.374 20.749 -3.420 230 HG2 ARG 30 2HG ARG 30 -0.498 19.483 -4.223 231 HG3 ARG 30 3HG ARG 30 -1.827 19.352 -5.377 232 HD2 ARG 30 2HD ARG 30 -0.421 20.011 -6.967 233 HD3 ARG 30 3HD ARG 30 -0.356 21.588 -6.182 234 HE ARG 30 HE ARG 30 1.442 19.811 -4.928 235 HH11 ARG 30 1HH1 ARG 30 1.019 21.637 -7.862 236 HH12 ARG 30 2HH1 ARG 30 2.718 21.798 -8.161 237 HH21 ARG 30 1HH2 ARG 30 3.682 20.016 -5.311 238 HH22 ARG 30 2HH2 ARG 30 4.232 20.875 -6.710 239 H VAL 31 H VAL 31 -3.603 21.208 -7.440 240 HA VAL 31 HA VAL 31 -6.090 20.036 -6.442 241 HB VAL 31 HB VAL 31 -6.812 19.967 -8.769 242 HG11 VAL 31 1HG1 VAL 31 -5.615 22.613 -7.955 243 HG12 VAL 31 2HG1 VAL 31 -6.821 22.398 -9.225 244 HG13 VAL 31 3HG1 VAL 31 -7.222 22.011 -7.552 245 HG21 VAL 31 1HG2 VAL 31 -5.318 21.102 -10.481 246 HG22 VAL 31 2HG2 VAL 31 -4.004 20.894 -9.323 247 HG23 VAL 31 3HG2 VAL 31 -4.841 19.482 -9.970 248 H ILE 32 H ILE 32 -6.502 17.905 -6.443 249 HA ILE 32 HA ILE 32 -4.436 16.127 -7.562 250 HB ILE 32 HB ILE 32 -5.397 14.430 -5.921 251 HG12 ILE 32 2HG1 ILE 32 -6.283 16.669 -4.201 252 HG13 ILE 32 3HG1 ILE 32 -7.355 16.264 -5.537 253 HG21 ILE 32 1HG2 ILE 32 -3.437 14.939 -5.001 254 HG22 ILE 32 2HG2 ILE 32 -3.562 16.620 -5.518 255 HG23 ILE 32 3HG2 ILE 32 -4.291 16.109 -3.996 256 HD11 ILE 32 1HD1 ILE 32 -7.203 13.863 -4.699 257 HD12 ILE 32 2HD1 ILE 32 -6.514 14.555 -3.230 258 HD13 ILE 32 3HD1 ILE 32 -8.140 15.009 -3.741 259 H SER 33 H SER 33 -5.012 14.960 -9.262 260 HA SER 33 HA SER 33 -7.871 14.566 -9.805 261 HB2 SER 33 2HB SER 33 -7.040 13.995 -12.139 262 HB3 SER 33 3HB SER 33 -6.806 15.667 -11.631 263 HG SER 33 HG SER 33 -4.977 14.153 -12.571 264 H ILE 34 H ILE 34 -8.716 12.636 -9.434 265 HA ILE 34 HA ILE 34 -7.119 10.236 -9.909 266 HB ILE 34 HB ILE 34 -8.589 10.717 -7.314 267 HG12 ILE 34 2HG1 ILE 34 -6.109 10.219 -6.516 268 HG13 ILE 34 3HG1 ILE 34 -5.714 10.844 -8.113 269 HG21 ILE 34 1HG2 ILE 34 -7.214 8.310 -8.462 270 HG22 ILE 34 2HG2 ILE 34 -7.440 8.511 -6.726 271 HG23 ILE 34 3HG2 ILE 34 -8.841 8.440 -7.795 272 HD11 ILE 34 1HD1 ILE 34 -5.689 12.822 -7.080 273 HD12 ILE 34 2HD1 ILE 34 -7.445 12.729 -7.211 274 HD13 ILE 34 3HD1 ILE 34 -6.645 12.237 -5.719 275 H ALA 35 H ALA 35 -8.308 8.433 -10.479 276 HA ALA 35 HA ALA 35 -10.766 8.831 -11.742 277 HB1 ALA 35 1HB ALA 35 -10.478 6.747 -12.505 278 HB2 ALA 35 2HB ALA 35 -8.911 6.828 -11.699 279 HB3 ALA 35 3HB ALA 35 -10.283 6.079 -10.884 280 H GLU 36 H GLU 36 -12.878 8.201 -11.228 281 HA GLU 36 HA GLU 36 -13.705 8.683 -8.594 282 HB2 GLU 36 2HB GLU 36 -14.983 8.686 -10.936 283 HB3 GLU 36 3HB GLU 36 -15.463 7.086 -10.387 284 HG2 GLU 36 2HG GLU 36 -17.175 8.306 -9.538 285 HG3 GLU 36 3HG GLU 36 -16.055 8.398 -8.180 286 H GLU 37 H GLU 37 -12.638 5.803 -10.151 287 HA GLU 37 HA GLU 37 -13.496 4.213 -7.824 288 HB2 GLU 37 2HB GLU 37 -13.776 3.723 -10.621 289 HB3 GLU 37 3HB GLU 37 -12.681 2.518 -9.959 290 HG2 GLU 37 2HG GLU 37 -14.306 1.473 -8.834 291 HG3 GLU 37 3HG GLU 37 -15.081 2.980 -8.350 292 H ALA 38 H ALA 38 -10.944 5.839 -8.777 293 HA ALA 38 HA ALA 38 -8.894 3.809 -8.557 294 HB1 ALA 38 1HB ALA 38 -7.429 5.978 -8.498 295 HB2 ALA 38 2HB ALA 38 -8.195 5.455 -9.998 296 HB3 ALA 38 3HB ALA 38 -8.918 6.750 -9.045 297 HA PRO 39 HA PRO 39 -8.178 3.993 -4.231 298 HB2 PRO 39 2HB PRO 39 -5.479 3.723 -4.111 299 HB3 PRO 39 3HB PRO 39 -6.560 2.393 -4.543 300 HG2 PRO 39 2HG PRO 39 -4.950 4.181 -6.324 301 HG3 PRO 39 3HG PRO 39 -5.186 2.426 -6.419 302 HD2 PRO 39 2HD PRO 39 -6.546 4.167 -7.986 303 HD3 PRO 39 3HD PRO 39 -7.246 2.632 -7.432 304 H LEU 40 H LEU 40 -7.260 5.248 -2.512 305 HA LEU 40 HA LEU 40 -7.151 8.018 -3.050 306 HB2 LEU 40 2HB LEU 40 -6.759 8.309 -0.721 307 HB3 LEU 40 3HB LEU 40 -7.906 6.985 -0.918 308 HG LEU 40 HG LEU 40 -5.356 5.805 -0.799 309 HD11 LEU 40 1HD1 LEU 40 -4.161 7.395 0.269 310 HD12 LEU 40 2HD1 LEU 40 -4.994 6.749 1.682 311 HD13 LEU 40 3HD1 LEU 40 -5.595 8.209 0.896 312 HD21 LEU 40 1HD2 LEU 40 -7.811 5.306 0.155 313 HD22 LEU 40 2HD2 LEU 40 -7.035 5.883 1.630 314 HD23 LEU 40 3HD2 LEU 40 -6.358 4.507 0.758 315 H THR 41 H THR 41 -4.730 5.553 -2.906 316 HA THR 41 HA THR 41 -2.434 6.946 -2.287 317 HB THR 41 HB THR 41 -2.364 4.994 -4.556 318 HG1 THR 41 HG1 THR 41 -2.638 3.302 -3.074 319 HG21 THR 41 1HG2 THR 41 -0.426 4.165 -3.090 320 HG22 THR 41 2HG2 THR 41 -0.632 5.671 -2.195 321 HG23 THR 41 3HG2 THR 41 -0.226 5.712 -3.911 322 H ALA 42 H ALA 42 -4.325 7.030 -5.220 323 HA ALA 42 HA ALA 42 -2.458 8.169 -6.965 324 HB1 ALA 42 1HB ALA 42 -4.369 7.410 -8.016 325 HB2 ALA 42 2HB ALA 42 -5.444 8.167 -6.841 326 HB3 ALA 42 3HB ALA 42 -4.609 9.157 -8.038 327 H ALA 43 H ALA 43 -4.524 9.613 -4.516 328 HA ALA 43 HA ALA 43 -3.965 12.318 -5.292 329 HB1 ALA 43 1HB ALA 43 -6.011 11.415 -4.011 330 HB2 ALA 43 2HB ALA 43 -4.977 11.525 -2.587 331 HB3 ALA 43 3HB ALA 43 -5.334 12.971 -3.531 332 H LEU 44 H LEU 44 -2.625 10.013 -3.014 333 HA LEU 44 HA LEU 44 -1.158 11.637 -1.344 334 HB2 LEU 44 2HB LEU 44 -1.313 8.925 -1.869 335 HB3 LEU 44 3HB LEU 44 0.370 9.322 -2.211 336 HG LEU 44 HG LEU 44 0.193 8.553 0.053 337 HD11 LEU 44 1HD1 LEU 44 1.090 10.482 1.256 338 HD12 LEU 44 2HD1 LEU 44 0.522 11.549 -0.027 339 HD13 LEU 44 3HD1 LEU 44 1.776 10.355 -0.364 340 HD21 LEU 44 1HD2 LEU 44 -1.722 8.831 1.145 341 HD22 LEU 44 2HD2 LEU 44 -2.255 10.073 0.012 342 HD23 LEU 44 3HD2 LEU 44 -1.263 10.514 1.402 343 H ARG 45 H ARG 45 -0.548 10.810 -4.680 344 HA ARG 45 HA ARG 45 2.128 11.441 -4.946 345 HB2 ARG 45 2HB ARG 45 -0.207 11.347 -6.725 346 HB3 ARG 45 3HB ARG 45 1.066 12.431 -7.270 347 HG2 ARG 45 2HG ARG 45 2.593 10.349 -6.733 348 HG3 ARG 45 3HG ARG 45 1.079 9.478 -6.985 349 HD2 ARG 45 2HD ARG 45 2.383 11.384 -8.924 350 HD3 ARG 45 3HD ARG 45 2.358 9.626 -9.054 351 HE ARG 45 HE ARG 45 -0.281 10.529 -8.885 352 HH11 ARG 45 1HH1 ARG 45 2.432 10.679 -11.062 353 HH12 ARG 45 2HH1 ARG 45 1.450 10.806 -12.484 354 HH21 ARG 45 1HH2 ARG 45 -1.584 10.696 -10.750 355 HH22 ARG 45 2HH2 ARG 45 -0.834 10.817 -12.305 356 H PHE 46 H PHE 46 -0.644 13.649 -5.334 357 HA PHE 46 HA PHE 46 1.130 15.943 -5.378 358 HB2 PHE 46 2HB PHE 46 -1.703 15.422 -6.006 359 HB3 PHE 46 3HB PHE 46 -1.380 17.000 -5.296 360 HD1 PHE 46 HD1 PHE 46 -1.914 15.520 -8.278 361 HD2 PHE 46 HD2 PHE 46 1.009 17.962 -6.379 362 HE1 PHE 46 HE1 PHE 46 -1.188 16.353 -10.476 363 HE2 PHE 46 HE2 PHE 46 1.739 18.801 -8.574 364 HZ PHE 46 HZ PHE 46 0.640 17.997 -10.626 365 H ALA 47 H ALA 47 -0.950 14.280 -3.151 366 HA ALA 47 HA ALA 47 -1.307 16.343 -1.258 367 HB1 ALA 47 1HB ALA 47 -1.321 13.971 0.181 368 HB2 ALA 47 2HB ALA 47 -2.712 14.769 -0.553 369 HB3 ALA 47 3HB ALA 47 -1.851 13.508 -1.436 370 H ALA 48 H ALA 48 1.284 14.060 -1.829 371 HA ALA 48 HA ALA 48 2.633 14.326 0.627 372 HB1 ALA 48 1HB ALA 48 3.645 13.617 -2.120 373 HB2 ALA 48 2HB ALA 48 4.626 13.527 -0.656 374 HB3 ALA 48 3HB ALA 48 3.192 12.513 -0.821 375 H GLU 49 H GLU 49 2.474 16.367 -2.179 376 HA GLU 49 HA GLU 49 4.801 17.921 -1.486 377 HB2 GLU 49 2HB GLU 49 2.602 18.568 -3.457 378 HB3 GLU 49 3HB GLU 49 4.182 19.334 -3.362 379 HG2 GLU 49 2HG GLU 49 3.477 16.589 -4.311 380 HG3 GLU 49 3HG GLU 49 4.380 17.856 -5.139 381 H GLU 50 H GLU 50 1.320 18.159 -1.076 382 HA GLU 50 HA GLU 50 1.137 20.829 -0.276 383 HB2 GLU 50 2HB GLU 50 -0.510 18.397 0.380 384 HB3 GLU 50 3HB GLU 50 -0.907 19.981 1.030 385 HG2 GLU 50 2HG GLU 50 -1.740 20.712 -0.913 386 HG3 GLU 50 3HG GLU 50 -0.475 19.936 -1.864 387 H PHE 51 H PHE 51 1.760 17.903 1.621 388 HA PHE 51 HA PHE 51 2.178 19.526 4.016 389 HB2 PHE 51 2HB PHE 51 1.309 16.822 3.506 390 HB3 PHE 51 3HB PHE 51 2.681 16.823 4.609 391 HD1 PHE 51 HD1 PHE 51 -0.826 17.281 4.284 392 HD2 PHE 51 HD2 PHE 51 2.542 18.358 6.654 393 HE1 PHE 51 HE1 PHE 51 -2.327 17.875 6.141 394 HE2 PHE 51 HE2 PHE 51 1.046 18.952 8.515 395 HZ PHE 51 HZ PHE 51 -1.392 18.710 8.260 396 H GLY 52 H GLY 52 3.928 17.936 1.537 397 HA2 GLY 52 2HA GLY 52 6.208 18.101 1.106 398 HA3 GLY 52 3HA GLY 52 6.430 18.814 2.697 399 H ILE 53 H ILE 53 4.639 16.163 3.271 400 HA ILE 53 HA ILE 53 6.932 14.331 3.389 401 HB ILE 53 HB ILE 53 6.410 13.658 5.643 402 HG12 ILE 53 2HG1 ILE 53 4.215 15.739 5.540 403 HG13 ILE 53 3HG1 ILE 53 3.979 13.995 5.566 404 HG21 ILE 53 1HG2 ILE 53 7.410 15.413 6.712 405 HG22 ILE 53 2HG2 ILE 53 7.727 15.860 5.036 406 HG23 ILE 53 3HG2 ILE 53 6.400 16.619 5.915 407 HD11 ILE 53 1HD1 ILE 53 5.604 14.735 7.782 408 HD12 ILE 53 2HD1 ILE 53 4.172 15.764 7.743 409 HD13 ILE 53 3HD1 ILE 53 3.997 14.010 7.772 410 H ALA 54 H ALA 54 5.854 12.165 4.527 411 HA ALA 54 HA ALA 54 3.342 11.583 3.136 412 HB1 ALA 54 1HB ALA 54 5.661 9.681 2.963 413 HB2 ALA 54 2HB ALA 54 4.153 9.664 2.048 414 HB3 ALA 54 3HB ALA 54 5.358 10.914 1.739 415 H SER 55 H SER 55 2.358 11.558 5.188 416 HA SER 55 HA SER 55 2.187 9.065 6.437 417 HB2 SER 55 2HB SER 55 4.244 9.264 7.508 418 HB3 SER 55 3HB SER 55 4.089 11.011 7.698 419 HG SER 55 HG SER 55 3.612 10.343 9.674 420 H VAL 56 H VAL 56 2.304 12.247 8.011 421 HA VAL 56 HA VAL 56 -0.279 11.929 9.158 422 HB VAL 56 HB VAL 56 -0.037 14.279 9.876 423 HG11 VAL 56 1HG1 VAL 56 1.356 12.104 10.745 424 HG12 VAL 56 2HG1 VAL 56 2.648 13.277 10.478 425 HG13 VAL 56 3HG1 VAL 56 1.311 13.667 11.561 426 HG21 VAL 56 1HG2 VAL 56 1.998 14.259 7.778 427 HG22 VAL 56 2HG2 VAL 56 1.099 15.608 8.473 428 HG23 VAL 56 3HG2 VAL 56 2.537 14.994 9.287 429 H ASP 57 H ASP 57 0.859 13.177 6.155 430 HA ASP 57 HA ASP 57 -1.237 14.951 5.534 431 HB2 ASP 57 2HB ASP 57 -0.421 14.927 3.317 432 HB3 ASP 57 3HB ASP 57 0.998 14.661 4.326 433 H SER 58 H SER 58 -1.080 11.516 5.626 434 HA SER 58 HA SER 58 -3.062 10.836 3.768 435 HB2 SER 58 2HB SER 58 -1.423 9.388 5.318 436 HB3 SER 58 3HB SER 58 -2.894 9.253 6.281 437 HG SER 58 HG SER 58 -3.053 7.611 4.872 438 H MET 59 H MET 59 -3.271 12.173 6.966 439 HA MET 59 HA MET 59 -6.111 12.594 6.628 440 HB2 MET 59 2HB MET 59 -5.985 10.345 7.667 441 HB3 MET 59 3HB MET 59 -5.099 11.042 9.017 442 HG2 MET 59 2HG MET 59 -7.279 12.629 8.991 443 HG3 MET 59 3HG MET 59 -7.966 11.123 8.387 444 HE1 MET 59 1HE MET 59 -7.000 12.341 12.532 445 HE2 MET 59 2HE MET 59 -5.475 12.157 11.667 446 HE3 MET 59 3HE MET 59 -6.733 13.212 11.021 447 H ALA 60 H ALA 60 -5.077 14.744 6.534 448 HA ALA 60 HA ALA 60 -5.080 15.949 9.184 449 HB1 ALA 60 1HB ALA 60 -2.967 17.285 8.090 450 HB2 ALA 60 2HB ALA 60 -2.843 15.981 9.271 451 HB3 ALA 60 3HB ALA 60 -2.676 15.631 7.550 452 H ALA 61 H ALA 61 -7.154 16.561 8.070 453 HA ALA 61 HA ALA 61 -6.935 19.245 7.112 454 HB1 ALA 61 1HB ALA 61 -7.547 17.047 5.189 455 HB2 ALA 61 2HB ALA 61 -8.312 18.623 4.985 456 HB3 ALA 61 3HB ALA 61 -6.554 18.488 4.972 457 H THR 62 H THR 62 -8.972 20.321 6.994 458 HA THR 62 HA THR 62 -11.213 18.805 8.163 459 HB THR 62 HB THR 62 -11.827 21.062 9.262 460 HG1 THR 62 HG1 THR 62 -10.409 22.536 8.620 461 HG21 THR 62 1HG2 THR 62 -9.851 20.526 11.026 462 HG22 THR 62 2HG2 THR 62 -9.853 19.032 10.089 463 HG23 THR 62 3HG2 THR 62 -11.328 19.573 10.890 464 H THR 63 H THR 63 -13.321 19.544 7.630 465 HA THR 63 HA THR 63 -13.464 20.706 4.976 466 HB THR 63 HB THR 63 -15.957 20.049 6.448 467 HG1 THR 63 HG1 THR 63 -13.958 18.153 5.763 468 HG21 THR 63 1HG2 THR 63 -16.090 20.711 4.133 469 HG22 THR 63 2HG2 THR 63 -16.492 18.998 4.255 470 HG23 THR 63 3HG2 THR 63 -14.902 19.492 3.675 471 H LYS 64 H LYS 64 -15.118 22.364 4.489 472 HA LYS 64 HA LYS 64 -14.727 24.676 6.051 473 HB2 LYS 64 2HB LYS 64 -15.526 24.246 3.513 474 HB3 LYS 64 3HB LYS 64 -17.084 24.581 4.256 475 HG2 LYS 64 2HG LYS 64 -16.622 26.762 4.562 476 HG3 LYS 64 3HG LYS 64 -14.922 26.461 4.930 477 HD2 LYS 64 2HD LYS 64 -15.891 26.021 2.146 478 HD3 LYS 64 3HD LYS 64 -15.637 27.675 2.706 479 HE2 LYS 64 2HE LYS 64 -13.369 26.363 3.557 480 HE3 LYS 64 3HE LYS 64 -13.700 25.617 1.994 481 HZ1 LYS 64 1HZ LYS 64 -13.800 27.854 1.026 482 HZ2 LYS 64 2HZ LYS 64 -12.288 27.523 1.708 483 HZ3 LYS 64 3HZ LYS 64 -13.383 28.522 2.523 484 H ASP 65 H ASP 65 -17.024 22.127 6.245 485 HA ASP 65 HA ASP 65 -18.867 23.690 7.880 486 HB2 ASP 65 2HB ASP 65 -19.574 21.964 6.097 487 HB3 ASP 65 3HB ASP 65 -19.119 20.750 7.289 488 H GLY 66 H GLY 66 -16.010 22.399 8.476 489 HA2 GLY 66 2HA GLY 66 -15.516 22.461 10.952 490 HA3 GLY 66 3HA GLY 66 -16.798 21.266 11.088 491 H THR 67 H THR 67 -15.799 19.451 11.704 492 HA THR 67 HA THR 67 -13.197 18.678 11.178 493 HB THR 67 HB THR 67 -14.253 16.259 11.420 494 HG1 THR 67 HG1 THR 67 -16.310 16.245 11.990 495 HG21 THR 67 1HG2 THR 67 -13.059 17.991 13.116 496 HG22 THR 67 2HG2 THR 67 -13.641 16.396 13.594 497 HG23 THR 67 3HG2 THR 67 -14.633 17.823 13.892 498 H GLY 68 H GLY 68 -12.205 17.359 9.656 499 HA2 GLY 68 2HA GLY 68 -13.804 16.571 7.319 500 HA3 GLY 68 3HA GLY 68 -12.386 17.581 7.080 501 H ILE 69 H ILE 69 -13.149 14.644 8.957 502 HA ILE 69 HA ILE 69 -10.534 13.556 8.321 503 HB ILE 69 HB ILE 69 -12.786 12.405 9.973 504 HG12 ILE 69 2HG1 ILE 69 -10.332 13.068 11.367 505 HG13 ILE 69 3HG1 ILE 69 -10.993 14.478 10.546 506 HG21 ILE 69 1HG2 ILE 69 -11.669 10.492 9.502 507 HG22 ILE 69 2HG2 ILE 69 -10.167 11.332 9.122 508 HG23 ILE 69 3HG2 ILE 69 -10.627 11.066 10.803 509 HD11 ILE 69 1HD1 ILE 69 -12.274 14.731 12.339 510 HD12 ILE 69 2HD1 ILE 69 -13.196 13.348 11.748 511 HD13 ILE 69 3HD1 ILE 69 -11.908 13.110 12.929 512 H ASN 70 H ASN 70 -10.113 11.883 6.971 513 HA ASN 70 HA ASN 70 -12.368 10.900 5.358 514 HB2 ASN 70 2HB ASN 70 -10.260 10.186 3.872 515 HB3 ASN 70 3HB ASN 70 -10.989 11.786 3.765 516 HD21 ASN 70 1HD2 ASN 70 -8.763 10.238 6.055 517 HD22 ASN 70 2HD2 ASN 70 -7.546 11.461 5.960 518 HA PRO 71 HA PRO 71 -11.522 7.096 7.618 519 HB2 PRO 71 2HB PRO 71 -13.787 5.844 6.797 520 HB3 PRO 71 3HB PRO 71 -13.765 7.026 8.111 521 HG2 PRO 71 2HG PRO 71 -14.540 7.396 5.244 522 HG3 PRO 71 3HG PRO 71 -15.333 8.012 6.706 523 HD2 PRO 71 2HD PRO 71 -13.713 9.546 5.170 524 HD3 PRO 71 3HD PRO 71 -13.846 9.759 6.928 525 H ALA 72 H ALA 72 -12.648 7.276 4.253 526 HA ALA 72 HA ALA 72 -11.081 4.857 3.655 527 HB1 ALA 72 1HB ALA 72 -12.969 5.900 1.638 528 HB2 ALA 72 2HB ALA 72 -12.621 4.239 2.119 529 HB3 ALA 72 3HB ALA 72 -13.676 5.243 3.114 530 H GLN 73 H GLN 73 -11.496 8.230 2.917 531 HA GLN 73 HA GLN 73 -10.243 9.709 1.727 532 HB2 GLN 73 2HB GLN 73 -8.151 7.540 1.566 533 HB3 GLN 73 3HB GLN 73 -7.904 9.276 1.436 534 HG2 GLN 73 2HG GLN 73 -8.366 9.602 3.738 535 HG3 GLN 73 3HG GLN 73 -8.940 7.945 3.921 536 HE21 GLN 73 1HE2 GLN 73 -6.045 9.570 2.656 537 HE22 GLN 73 2HE2 GLN 73 -4.911 8.561 3.481 538 H THR 74 H THR 74 -11.836 7.384 0.451 539 HA THR 74 HA THR 74 -10.603 7.058 -2.130 540 HB THR 74 HB THR 74 -13.496 6.458 -1.680 541 HG1 THR 74 HG1 THR 74 -13.037 4.728 -0.421 542 HG21 THR 74 1HG2 THR 74 -11.363 5.676 -3.494 543 HG22 THR 74 2HG2 THR 74 -13.111 5.518 -3.673 544 HG23 THR 74 3HG2 THR 74 -12.198 4.285 -2.805 545 H ALA 75 H ALA 75 -11.728 7.650 -4.146 546 HA ALA 75 HA ALA 75 -12.237 10.409 -4.279 547 HB1 ALA 75 1HB ALA 75 -13.371 9.286 -6.568 548 HB2 ALA 75 2HB ALA 75 -11.734 9.918 -6.386 549 HB3 ALA 75 3HB ALA 75 -12.051 8.204 -6.122 550 H GLY 76 H GLY 76 -14.436 7.621 -4.326 551 HA2 GLY 76 2HA GLY 76 -16.806 9.121 -4.727 552 HA3 GLY 76 3HA GLY 76 -16.717 7.483 -4.097 553 H ASN 77 H ASN 77 -15.112 8.072 -1.813 554 HA ASN 77 HA ASN 77 -17.170 8.893 -0.019 555 HB2 ASN 77 2HB ASN 77 -14.251 8.228 0.372 556 HB3 ASN 77 3HB ASN 77 -15.306 8.694 1.704 557 HD21 ASN 77 1HD2 ASN 77 -17.255 7.381 2.014 558 HD22 ASN 77 2HD2 ASN 77 -17.166 5.687 1.684 559 H VAL 78 H VAL 78 -13.934 10.257 -0.663 560 HA VAL 78 HA VAL 78 -14.223 12.597 0.802 561 HB VAL 78 HB VAL 78 -12.407 13.522 -0.486 562 HG11 VAL 78 1HG1 VAL 78 -12.360 10.931 0.699 563 HG12 VAL 78 2HG1 VAL 78 -11.232 10.956 -0.658 564 HG13 VAL 78 3HG1 VAL 78 -11.081 12.143 0.639 565 HG21 VAL 78 1HG2 VAL 78 -11.600 11.942 -2.447 566 HG22 VAL 78 2HG2 VAL 78 -13.319 11.552 -2.519 567 HG23 VAL 78 3HG2 VAL 78 -12.784 13.220 -2.721 568 H PHE 79 H PHE 79 -15.450 11.765 -2.347 569 HA PHE 79 HA PHE 79 -15.938 14.267 -3.437 570 HB2 PHE 79 2HB PHE 79 -16.291 12.305 -4.769 571 HB3 PHE 79 3HB PHE 79 -17.513 11.700 -3.656 572 HD1 PHE 79 HD1 PHE 79 -16.810 14.590 -5.894 573 HD2 PHE 79 HD2 PHE 79 -19.743 12.074 -4.110 574 HE1 PHE 79 HE1 PHE 79 -18.560 15.689 -7.229 575 HE2 PHE 79 HE2 PHE 79 -21.498 13.169 -5.442 576 HZ PHE 79 HZ PHE 79 -20.907 14.978 -7.005 577 H MET 80 H MET 80 -17.991 12.352 -1.260 578 HA MET 80 HA MET 80 -19.817 14.618 -0.985 579 HB2 MET 80 2HB MET 80 -20.414 12.038 -1.254 580 HB3 MET 80 3HB MET 80 -20.241 12.068 0.495 581 HG2 MET 80 2HG MET 80 -22.075 13.388 0.798 582 HG3 MET 80 3HG MET 80 -21.924 14.150 -0.784 583 HE1 MET 80 1HE MET 80 -25.161 13.238 -1.281 584 HE2 MET 80 2HE MET 80 -25.227 12.241 0.172 585 HE3 MET 80 3HE MET 80 -24.368 13.782 0.198 586 H LYS 81 H LYS 81 -17.189 13.145 0.604 587 HA LYS 81 HA LYS 81 -17.820 13.758 3.292 588 HB2 LYS 81 2HB LYS 81 -15.951 12.236 2.292 589 HB3 LYS 81 3HB LYS 81 -15.003 13.717 2.261 590 HG2 LYS 81 2HG LYS 81 -14.473 12.598 4.274 591 HG3 LYS 81 3HG LYS 81 -15.497 13.968 4.708 592 HD2 LYS 81 2HD LYS 81 -16.216 12.040 5.952 593 HD3 LYS 81 3HD LYS 81 -17.447 12.426 4.746 594 HE2 LYS 81 2HE LYS 81 -16.838 10.618 3.385 595 HE3 LYS 81 3HE LYS 81 -15.288 10.414 4.199 596 HZ1 LYS 81 1HZ LYS 81 -17.979 9.669 5.161 597 HZ2 LYS 81 2HZ LYS 81 -16.688 9.859 6.236 598 HZ3 LYS 81 3HZ LYS 81 -16.603 8.695 5.011 599 H TYR 82 H TYR 82 -15.702 15.440 0.966 600 HA TYR 82 HA TYR 82 -16.065 17.890 2.563 601 HB2 TYR 82 2HB TYR 82 -13.763 17.481 0.679 602 HB3 TYR 82 3HB TYR 82 -13.884 18.566 2.060 603 HD1 TYR 82 HD1 TYR 82 -12.106 15.918 1.009 604 HD2 TYR 82 HD2 TYR 82 -14.605 16.970 4.288 605 HE1 TYR 82 HE1 TYR 82 -10.960 14.251 2.410 606 HE2 TYR 82 HE2 TYR 82 -13.466 15.307 5.697 607 HH TYR 82 HH TYR 82 -10.559 13.793 4.769 608 H GLY 83 H GLY 83 -16.192 16.435 -0.597 609 HA2 GLY 83 2HA GLY 83 -16.839 17.250 -2.653 610 HA3 GLY 83 3HA GLY 83 -18.033 18.126 -1.705 611 H GLN 84 H GLN 84 -14.520 18.388 -2.275 612 HA GLN 84 HA GLN 84 -13.216 20.143 -2.903 613 HB2 GLN 84 2HB GLN 84 -15.727 21.520 -3.846 614 HB3 GLN 84 3HB GLN 84 -14.083 21.757 -4.423 615 HG2 GLN 84 2HG GLN 84 -14.078 19.538 -5.399 616 HG3 GLN 84 3HG GLN 84 -15.698 19.241 -4.771 617 HE21 GLN 84 1HE2 GLN 84 -14.331 19.589 -7.529 618 HE22 GLN 84 2HE2 GLN 84 -15.441 20.601 -8.381 619 H GLU 85 H GLU 85 -12.822 22.509 -2.482 620 HA GLU 85 HA GLU 85 -12.702 24.283 -1.060 621 HB2 GLU 85 2HB GLU 85 -15.381 23.927 -1.431 622 HB3 GLU 85 3HB GLU 85 -15.255 23.777 0.316 623 HG2 GLU 85 2HG GLU 85 -15.563 26.013 0.175 624 HG3 GLU 85 3HG GLU 85 -13.807 25.973 0.030 625 H ILE 86 H ILE 86 -11.550 21.863 -0.286 626 HA ILE 86 HA ILE 86 -12.117 21.642 2.583 627 HB ILE 86 HB ILE 86 -12.060 19.523 1.426 628 HG12 ILE 86 2HG1 ILE 86 -9.567 19.941 3.089 629 HG13 ILE 86 3HG1 ILE 86 -11.172 19.574 3.709 630 HG21 ILE 86 1HG2 ILE 86 -9.963 20.727 -0.040 631 HG22 ILE 86 2HG2 ILE 86 -9.309 19.285 0.736 632 HG23 ILE 86 3HG2 ILE 86 -10.725 19.159 -0.307 633 HD11 ILE 86 1HD1 ILE 86 -10.505 17.584 1.813 634 HD12 ILE 86 2HD1 ILE 86 -9.133 17.787 2.903 635 HD13 ILE 86 3HD1 ILE 86 -10.730 17.419 3.554 636 H ARG 87 H ARG 87 -10.558 21.979 4.144 637 HA ARG 87 HA ARG 87 -8.197 23.477 3.237 638 HB2 ARG 87 2HB ARG 87 -10.114 23.890 5.350 639 HB3 ARG 87 3HB ARG 87 -8.491 23.780 6.018 640 HG2 ARG 87 2HG ARG 87 -9.215 25.596 3.735 641 HG3 ARG 87 3HG ARG 87 -9.269 26.088 5.429 642 HD2 ARG 87 2HD ARG 87 -6.766 24.849 4.986 643 HD3 ARG 87 3HD ARG 87 -7.033 25.979 3.659 644 HE ARG 87 HE ARG 87 -6.463 26.631 6.374 645 HH11 ARG 87 1HH1 ARG 87 -8.173 27.706 3.539 646 HH12 ARG 87 2HH1 ARG 87 -8.122 29.380 3.982 647 HH21 ARG 87 1HH2 ARG 87 -6.388 28.832 6.969 648 HH22 ARG 87 2HH2 ARG 87 -7.105 30.020 5.933 649 H LEU 88 H LEU 88 -6.156 23.029 4.077 650 HA LEU 88 HA LEU 88 -5.896 20.350 5.258 651 HB2 LEU 88 2HB LEU 88 -4.817 20.647 3.094 652 HB3 LEU 88 3HB LEU 88 -3.898 22.011 3.728 653 HG LEU 88 HG LEU 88 -3.556 19.440 5.144 654 HD11 LEU 88 1HD1 LEU 88 -3.345 19.547 2.308 655 HD12 LEU 88 2HD1 LEU 88 -2.966 18.214 3.397 656 HD13 LEU 88 3HD1 LEU 88 -1.726 19.400 2.992 657 HD21 LEU 88 1HD2 LEU 88 -1.998 21.868 4.464 658 HD22 LEU 88 2HD2 LEU 88 -1.105 20.363 4.685 659 HD23 LEU 88 3HD2 LEU 88 -2.120 20.987 5.986 660 H ILE 89 H ILE 89 -5.237 20.164 7.291 661 HA ILE 89 HA ILE 89 -3.528 22.240 8.450 662 HB ILE 89 HB ILE 89 -4.900 22.074 10.583 663 HG12 ILE 89 2HG1 ILE 89 -7.317 21.475 9.015 664 HG13 ILE 89 3HG1 ILE 89 -6.239 20.102 9.240 665 HG21 ILE 89 1HG2 ILE 89 -5.011 23.807 8.483 666 HG22 ILE 89 2HG2 ILE 89 -6.704 23.351 8.666 667 HG23 ILE 89 3HG2 ILE 89 -5.824 24.039 10.030 668 HD11 ILE 89 1HD1 ILE 89 -7.701 19.964 11.031 669 HD12 ILE 89 2HD1 ILE 89 -6.279 20.746 11.723 670 HD13 ILE 89 3HD1 ILE 89 -7.695 21.707 11.297 671 HA PRO 90 HA PRO 90 -1.344 18.884 10.252 672 HB2 PRO 90 2HB PRO 90 -0.436 20.016 12.547 673 HB3 PRO 90 3HB PRO 90 0.208 20.426 10.953 674 HG2 PRO 90 2HG PRO 90 -1.804 21.890 12.617 675 HG3 PRO 90 3HG PRO 90 -0.442 22.536 11.683 676 HD2 PRO 90 2HD PRO 90 -2.992 22.601 10.775 677 HD3 PRO 90 3HD PRO 90 -1.596 22.433 9.691 678 H ARG 91 H ARG 91 -2.881 17.336 10.754 679 HA ARG 91 HA ARG 91 -4.012 17.481 13.472 680 HB2 ARG 91 2HB ARG 91 -5.572 17.500 11.378 681 HB3 ARG 91 3HB ARG 91 -5.207 15.781 11.312 682 HG2 ARG 91 2HG ARG 91 -7.058 15.665 12.596 683 HG3 ARG 91 3HG ARG 91 -5.888 15.957 13.883 684 HD2 ARG 91 2HD ARG 91 -6.363 18.427 13.557 685 HD3 ARG 91 3HD ARG 91 -7.730 17.931 12.560 686 HE ARG 91 HE ARG 91 -7.736 16.674 15.126 687 HH11 ARG 91 1HH1 ARG 91 -8.555 19.593 13.414 688 HH12 ARG 91 2HH1 ARG 91 -9.785 20.063 14.540 689 HH21 ARG 91 1HH2 ARG 91 -9.353 17.283 16.616 690 HH22 ARG 91 2HH2 ARG 91 -10.238 18.749 16.362 691 H ASP 92 H ASP 92 -3.922 15.656 14.764 692 HA ASP 92 HA ASP 92 -3.090 13.711 15.600 693 HB2 ASP 92 2HB ASP 92 -4.204 12.977 13.274 694 HB3 ASP 92 3HB ASP 92 -2.530 12.565 12.916 695 H ARG 93 H ARG 93 -1.332 15.962 14.768 696 HA ARG 93 HA ARG 93 1.193 14.452 14.705 697 HB2 ARG 93 2HB ARG 93 0.839 15.485 12.517 698 HB3 ARG 93 3HB ARG 93 0.604 17.053 13.280 699 HG2 ARG 93 2HG ARG 93 2.769 17.381 12.882 700 HG3 ARG 93 3HG ARG 93 3.053 16.288 14.239 701 HD2 ARG 93 2HD ARG 93 2.909 14.408 12.505 702 HD3 ARG 93 3HD ARG 93 3.085 15.682 11.299 703 HE ARG 93 HE ARG 93 5.099 15.710 13.359 704 HH11 ARG 93 1HH1 ARG 93 4.177 14.462 10.243 705 HH12 ARG 93 2HH1 ARG 93 5.805 14.139 9.745 706 HH21 ARG 93 1HH2 ARG 93 7.247 15.289 12.716 707 HH22 ARG 93 2HH2 ARG 93 7.550 14.609 11.153 708 H VAL 94 H VAL 94 0.258 17.872 15.078 709 HA VAL 94 HA VAL 94 2.202 18.401 17.053 710 HB VAL 94 HB VAL 94 -0.335 19.929 16.452 711 HG11 VAL 94 1HG1 VAL 94 0.969 21.845 17.425 712 HG12 VAL 94 2HG1 VAL 94 0.465 20.613 18.584 713 HG13 VAL 94 3HG1 VAL 94 2.133 20.660 18.014 714 HG21 VAL 94 1HG2 VAL 94 2.472 20.329 15.420 715 HG22 VAL 94 2HG2 VAL 94 1.122 19.669 14.496 716 HG23 VAL 94 3HG2 VAL 94 1.074 21.341 15.053 717 H GLY 95 H GLY 95 -1.332 17.987 17.323 718 HA2 GLY 95 2HA GLY 95 -1.176 17.947 20.216 719 HA3 GLY 95 3HA GLY 95 -2.630 17.772 19.244 Start of MODEL 17 1 H1 MET 1 H MET 1 10.179 0.823 0.693 2 HA MET 1 HA MET 1 9.487 3.417 1.816 3 HB2 MET 1 2HB MET 1 11.061 1.697 2.902 4 HB3 MET 1 3HB MET 1 12.246 2.220 1.712 5 HG2 MET 1 2HG MET 1 12.777 3.971 2.947 6 HG3 MET 1 3HG MET 1 11.100 4.511 2.970 7 HE1 MET 1 1HE MET 1 13.571 2.809 6.260 8 HE2 MET 1 2HE MET 1 14.011 3.195 4.596 9 HE3 MET 1 3HE MET 1 13.548 4.484 5.708 10 H SER 2 H SER 2 9.613 5.222 0.670 11 HA SER 2 HA SER 2 10.140 6.727 -0.952 12 HB2 SER 2 2HB SER 2 12.789 5.261 -1.009 13 HB3 SER 2 3HB SER 2 12.484 6.886 -1.621 14 HG SER 2 HG SER 2 12.766 5.988 0.993 15 H GLN 3 H GLN 3 8.560 5.789 -2.359 16 HA GLN 3 HA GLN 3 9.625 5.070 -4.900 17 HB2 GLN 3 2HB GLN 3 9.773 2.879 -3.777 18 HB3 GLN 3 3HB GLN 3 8.051 2.950 -3.427 19 HG2 GLN 3 2HG GLN 3 7.822 3.212 -6.007 20 HG3 GLN 3 3HG GLN 3 9.439 2.510 -6.026 21 HE21 GLN 3 1HE2 GLN 3 6.119 1.910 -5.785 22 HE22 GLN 3 2HE2 GLN 3 6.200 0.217 -5.451 23 H ASN 4 H ASN 4 8.249 5.660 -6.480 24 HA ASN 4 HA ASN 4 5.749 6.873 -5.714 25 HB2 ASN 4 2HB ASN 4 7.575 7.444 -7.650 26 HB3 ASN 4 3HB ASN 4 6.355 6.589 -8.589 27 HD21 ASN 4 1HD2 ASN 4 4.988 7.911 -9.517 28 HD22 ASN 4 2HD2 ASN 4 4.387 9.391 -8.860 29 H GLU 5 H GLU 5 3.708 6.396 -6.763 30 HA GLU 5 HA GLU 5 3.447 3.532 -7.399 31 HB2 GLU 5 2HB GLU 5 1.853 5.374 -5.737 32 HB3 GLU 5 3HB GLU 5 0.915 4.309 -6.775 33 HG2 GLU 5 2HG GLU 5 3.095 3.176 -5.086 34 HG3 GLU 5 3HG GLU 5 1.539 3.577 -4.361 35 H GLU 6 H GLU 6 1.664 6.569 -7.990 36 HA GLU 6 HA GLU 6 0.633 7.390 -9.844 37 HB2 GLU 6 2HB GLU 6 2.929 7.261 -10.763 38 HB3 GLU 6 3HB GLU 6 2.592 5.632 -11.331 39 HG2 GLU 6 2HG GLU 6 1.116 6.369 -12.964 40 HG3 GLU 6 3HG GLU 6 0.885 7.933 -12.185 41 H ALA 7 H ALA 7 -1.393 6.531 -9.593 42 HA ALA 7 HA ALA 7 -2.129 3.870 -10.102 43 HB1 ALA 7 1HB ALA 7 -3.385 6.053 -9.061 44 HB2 ALA 7 2HB ALA 7 -4.220 5.856 -10.603 45 HB3 ALA 7 3HB ALA 7 -4.170 4.522 -9.450 46 HA PRO 8 HA PRO 8 -2.482 3.515 -14.461 47 HB2 PRO 8 2HB PRO 8 -4.761 2.067 -14.747 48 HB3 PRO 8 3HB PRO 8 -3.255 1.377 -14.129 49 HG2 PRO 8 2HG PRO 8 -5.657 2.339 -12.622 50 HG3 PRO 8 3HG PRO 8 -4.684 0.879 -12.363 51 HD2 PRO 8 2HD PRO 8 -4.392 3.111 -10.857 52 HD3 PRO 8 3HD PRO 8 -3.037 2.025 -11.229 53 H ALA 9 H ALA 9 -5.577 4.372 -12.921 54 HA ALA 9 HA ALA 9 -7.249 5.793 -13.529 55 HB1 ALA 9 1HB ALA 9 -6.591 7.911 -14.026 56 HB2 ALA 9 2HB ALA 9 -5.024 7.247 -13.559 57 HB3 ALA 9 3HB ALA 9 -5.450 7.387 -15.265 58 H ARG 10 H ARG 10 -6.914 3.469 -15.136 59 HA ARG 10 HA ARG 10 -7.504 4.391 -17.853 60 HB2 ARG 10 2HB ARG 10 -6.025 2.246 -16.903 61 HB3 ARG 10 3HB ARG 10 -7.532 1.507 -17.431 62 HG2 ARG 10 2HG ARG 10 -7.164 1.987 -19.623 63 HG3 ARG 10 3HG ARG 10 -6.229 3.439 -19.263 64 HD2 ARG 10 2HD ARG 10 -4.854 1.165 -18.223 65 HD3 ARG 10 3HD ARG 10 -5.280 0.855 -19.906 66 HE ARG 10 HE ARG 10 -4.176 3.437 -19.661 67 HH11 ARG 10 1HH1 ARG 10 -3.271 0.077 -19.557 68 HH12 ARG 10 2HH1 ARG 10 -1.648 0.363 -20.089 69 HH21 ARG 10 1HH2 ARG 10 -2.041 3.827 -20.362 70 HH22 ARG 10 2HH2 ARG 10 -0.948 2.496 -20.546 71 H SER 11 H SER 11 -8.975 2.953 -15.059 72 HA SER 11 HA SER 11 -11.271 1.857 -16.263 73 HB2 SER 11 2HB SER 11 -10.360 2.465 -13.552 74 HB3 SER 11 3HB SER 11 -12.102 2.658 -13.747 75 HG SER 11 HG SER 11 -11.009 0.451 -13.267 76 H GLY 12 H GLY 12 -13.434 2.662 -16.310 77 HA2 GLY 12 2HA GLY 12 -13.677 5.255 -17.359 78 HA3 GLY 12 3HA GLY 12 -15.014 4.235 -16.850 79 H GLY 13 H GLY 13 -14.723 7.117 -16.566 80 HA2 GLY 13 2HA GLY 13 -15.671 8.468 -14.881 81 HA3 GLY 13 3HA GLY 13 -15.241 7.248 -13.692 82 H LYS 14 H LYS 14 -14.700 10.287 -14.251 83 HA LYS 14 HA LYS 14 -11.985 10.189 -13.183 84 HB2 LYS 14 2HB LYS 14 -12.800 11.568 -15.722 85 HB3 LYS 14 3HB LYS 14 -11.475 12.199 -14.753 86 HG2 LYS 14 2HG LYS 14 -10.684 9.664 -14.901 87 HG3 LYS 14 3HG LYS 14 -11.630 9.740 -16.389 88 HD2 LYS 14 2HD LYS 14 -9.637 10.454 -17.219 89 HD3 LYS 14 3HD LYS 14 -10.260 12.010 -16.665 90 HE2 LYS 14 2HE LYS 14 -9.069 11.102 -14.408 91 HE3 LYS 14 3HE LYS 14 -8.033 10.382 -15.639 92 HZ1 LYS 14 1HZ LYS 14 -8.106 13.049 -14.746 93 HZ2 LYS 14 2HZ LYS 14 -8.498 13.018 -16.391 94 HZ3 LYS 14 3HZ LYS 14 -7.046 12.335 -15.855 95 H VAL 15 H VAL 15 -11.589 11.722 -11.673 96 HA VAL 15 HA VAL 15 -13.368 14.030 -11.462 97 HB VAL 15 HB VAL 15 -12.869 12.233 -9.089 98 HG11 VAL 15 1HG1 VAL 15 -14.789 13.628 -8.172 99 HG12 VAL 15 2HG1 VAL 15 -13.227 14.433 -8.336 100 HG13 VAL 15 3HG1 VAL 15 -14.497 14.721 -9.526 101 HG21 VAL 15 1HG2 VAL 15 -15.192 12.382 -10.985 102 HG22 VAL 15 2HG2 VAL 15 -14.295 10.962 -10.449 103 HG23 VAL 15 3HG2 VAL 15 -15.376 11.794 -9.332 104 H THR 16 H THR 16 -12.508 15.767 -10.285 105 HA THR 16 HA THR 16 -9.712 15.479 -9.417 106 HB THR 16 HB THR 16 -9.949 18.095 -10.405 107 HG1 THR 16 HG1 THR 16 -10.811 16.218 -12.367 108 HG21 THR 16 1HG2 THR 16 -8.241 17.371 -11.996 109 HG22 THR 16 2HG2 THR 16 -8.625 15.684 -11.655 110 HG23 THR 16 3HG2 THR 16 -7.928 16.701 -10.395 111 H PHE 17 H PHE 17 -9.262 16.390 -7.505 112 HA PHE 17 HA PHE 17 -11.249 18.242 -6.363 113 HB2 PHE 17 2HB PHE 17 -9.538 16.344 -4.758 114 HB3 PHE 17 3HB PHE 17 -10.926 17.275 -4.206 115 HD1 PHE 17 HD1 PHE 17 -13.198 16.610 -4.839 116 HD2 PHE 17 HD2 PHE 17 -9.806 14.267 -5.898 117 HE1 PHE 17 HE1 PHE 17 -14.672 14.700 -5.324 118 HE2 PHE 17 HE2 PHE 17 -11.274 12.354 -6.385 119 HZ PHE 17 HZ PHE 17 -13.711 12.569 -6.099 120 H ARG 18 H ARG 18 -10.492 19.954 -5.100 121 HA ARG 18 HA ARG 18 -7.625 20.537 -5.441 122 HB2 ARG 18 2HB ARG 18 -8.195 22.892 -5.429 123 HB3 ARG 18 3HB ARG 18 -9.154 22.062 -6.647 124 HG2 ARG 18 2HG ARG 18 -11.035 21.987 -5.013 125 HG3 ARG 18 3HG ARG 18 -10.064 22.994 -3.936 126 HD2 ARG 18 2HD ARG 18 -10.267 24.848 -5.261 127 HD3 ARG 18 3HD ARG 18 -10.447 23.903 -6.739 128 HE ARG 18 HE ARG 18 -12.712 23.896 -6.417 129 HH11 ARG 18 1HH1 ARG 18 -11.142 24.843 -3.457 130 HH12 ARG 18 2HH1 ARG 18 -12.618 25.269 -2.657 131 HH21 ARG 18 1HH2 ARG 18 -14.663 24.454 -5.374 132 HH22 ARG 18 2HH2 ARG 18 -14.620 25.047 -3.748 133 H ILE 19 H ILE 19 -6.404 20.861 -3.686 134 HA ILE 19 HA ILE 19 -7.769 21.173 -1.092 135 HB ILE 19 HB ILE 19 -5.147 19.742 -1.511 136 HG12 ILE 19 2HG1 ILE 19 -6.971 17.843 -0.708 137 HG13 ILE 19 3HG1 ILE 19 -7.913 18.821 -1.829 138 HG21 ILE 19 1HG2 ILE 19 -5.729 18.860 0.790 139 HG22 ILE 19 2HG2 ILE 19 -5.281 20.562 0.697 140 HG23 ILE 19 3HG2 ILE 19 -6.978 20.104 0.846 141 HD11 ILE 19 1HD1 ILE 19 -7.032 17.579 -3.438 142 HD12 ILE 19 2HD1 ILE 19 -5.518 18.434 -3.143 143 HD13 ILE 19 3HD1 ILE 19 -5.827 16.889 -2.350 144 H ILE 20 H ILE 20 -7.150 22.836 0.144 145 HA ILE 20 HA ILE 20 -4.734 24.321 -0.663 146 HB ILE 20 HB ILE 20 -7.271 25.406 0.565 147 HG12 ILE 20 2HG1 ILE 20 -7.086 26.754 -1.699 148 HG13 ILE 20 3HG1 ILE 20 -6.146 25.355 -2.205 149 HG21 ILE 20 1HG2 ILE 20 -6.063 27.128 1.270 150 HG22 ILE 20 2HG2 ILE 20 -4.602 26.425 0.578 151 HG23 ILE 20 3HG2 ILE 20 -5.624 27.474 -0.403 152 HD11 ILE 20 1HD1 ILE 20 -8.541 24.468 -0.937 153 HD12 ILE 20 2HD1 ILE 20 -8.935 25.654 -2.182 154 HD13 ILE 20 3HD1 ILE 20 -7.997 24.219 -2.596 155 H LEU 21 H LEU 21 -3.155 23.972 0.751 156 HA LEU 21 HA LEU 21 -3.812 23.546 3.573 157 HB2 LEU 21 2HB LEU 21 -1.631 22.623 3.820 158 HB3 LEU 21 3HB LEU 21 -2.362 21.920 2.379 159 HG LEU 21 HG LEU 21 -0.600 24.280 2.005 160 HD11 LEU 21 1HD1 LEU 21 0.289 21.668 3.096 161 HD12 LEU 21 2HD1 LEU 21 0.951 23.284 3.340 162 HD13 LEU 21 3HD1 LEU 21 1.271 22.417 1.838 163 HD21 LEU 21 1HD2 LEU 21 -0.202 21.926 0.357 164 HD22 LEU 21 2HD2 LEU 21 -0.612 23.577 -0.109 165 HD23 LEU 21 3HD2 LEU 21 -1.885 22.454 0.372 166 H THR 22 H THR 22 -2.482 24.591 5.218 167 HA THR 22 HA THR 22 -1.971 27.379 4.505 168 HB THR 22 HB THR 22 -1.729 26.499 7.328 169 HG1 THR 22 HG1 THR 22 -3.647 25.625 7.364 170 HG21 THR 22 1HG2 THR 22 -1.896 28.707 7.575 171 HG22 THR 22 2HG2 THR 22 -3.544 28.633 6.951 172 HG23 THR 22 3HG2 THR 22 -2.194 28.902 5.849 173 H SER 23 H SER 23 -0.270 24.515 5.007 174 HA SER 23 HA SER 23 2.106 25.686 6.142 175 HB2 SER 23 2HB SER 23 1.103 23.086 5.872 176 HB3 SER 23 3HB SER 23 2.540 23.127 4.850 177 HG SER 23 HG SER 23 2.748 22.625 7.225 178 H GLU 24 H GLU 24 0.759 25.421 3.035 179 HA GLU 24 HA GLU 24 3.366 26.042 1.808 180 HB2 GLU 24 2HB GLU 24 2.362 23.893 1.052 181 HB3 GLU 24 3HB GLU 24 0.968 24.787 0.462 182 HG2 GLU 24 2HG GLU 24 2.019 24.944 -1.478 183 HG3 GLU 24 3HG GLU 24 3.131 26.068 -0.698 184 H ARG 25 H ARG 25 2.433 28.202 2.802 185 HA ARG 25 HA ARG 25 0.383 29.563 1.424 186 HB2 ARG 25 2HB ARG 25 1.870 30.064 3.660 187 HB3 ARG 25 3HB ARG 25 2.545 31.227 2.527 188 HG2 ARG 25 2HG ARG 25 0.291 32.106 2.108 189 HG3 ARG 25 3HG ARG 25 -0.356 30.965 3.289 190 HD2 ARG 25 2HD ARG 25 1.187 31.996 4.980 191 HD3 ARG 25 3HD ARG 25 1.561 33.235 3.783 192 HE ARG 25 HE ARG 25 -1.154 33.269 3.938 193 HH11 ARG 25 1HH1 ARG 25 1.422 33.548 6.263 194 HH12 ARG 25 2HH1 ARG 25 0.522 34.570 7.333 195 HH21 ARG 25 1HH2 ARG 25 -2.350 34.614 5.339 196 HH22 ARG 25 2HH2 ARG 25 -1.624 35.175 6.807 197 H SER 26 H SER 26 3.570 28.783 0.530 198 HA SER 26 HA SER 26 4.305 30.944 -1.075 199 HB2 SER 26 2HB SER 26 5.054 28.084 -0.891 200 HB3 SER 26 3HB SER 26 5.419 28.880 -2.422 201 HG SER 26 HG SER 26 6.856 28.983 -0.281 202 H GLN 27 H GLN 27 2.148 28.252 -1.695 203 HA GLN 27 HA GLN 27 0.788 29.582 -3.767 204 HB2 GLN 27 2HB GLN 27 2.837 29.093 -5.040 205 HB3 GLN 27 3HB GLN 27 2.646 27.381 -4.685 206 HG2 GLN 27 2HG GLN 27 1.404 27.149 -6.493 207 HG3 GLN 27 3HG GLN 27 0.223 28.275 -5.824 208 HE21 GLN 27 1HE2 GLN 27 3.119 28.010 -7.787 209 HE22 GLN 27 2HE2 GLN 27 2.886 29.480 -8.664 210 HA PRO 28 HA PRO 28 -1.220 25.910 -1.696 211 HB2 PRO 28 2HB PRO 28 -3.323 27.303 -0.691 212 HB3 PRO 28 3HB PRO 28 -1.790 27.122 0.171 213 HG2 PRO 28 2HG PRO 28 -2.783 29.424 -1.466 214 HG3 PRO 28 3HG PRO 28 -1.942 29.442 0.094 215 HD2 PRO 28 2HD PRO 28 -0.677 29.935 -2.248 216 HD3 PRO 28 3HD PRO 28 0.128 29.147 -0.876 217 H PHE 29 H PHE 29 -1.720 25.086 -3.756 218 HA PHE 29 HA PHE 29 -4.419 25.226 -4.518 219 HB2 PHE 29 2HB PHE 29 -3.314 27.458 -5.400 220 HB3 PHE 29 3HB PHE 29 -2.739 26.407 -6.689 221 HD1 PHE 29 HD1 PHE 29 -5.929 26.977 -4.832 222 HD2 PHE 29 HD2 PHE 29 -4.011 26.399 -8.587 223 HE1 PHE 29 HE1 PHE 29 -8.100 27.196 -5.970 224 HE2 PHE 29 HE2 PHE 29 -6.178 26.618 -9.731 225 HZ PHE 29 HZ PHE 29 -8.226 27.018 -8.423 226 H ARG 30 H ARG 30 -3.258 23.023 -4.015 227 HA ARG 30 HA ARG 30 -2.026 21.885 -6.404 228 HB2 ARG 30 2HB ARG 30 -1.716 21.442 -3.645 229 HB3 ARG 30 3HB ARG 30 -2.468 19.985 -4.278 230 HG2 ARG 30 2HG ARG 30 0.104 21.236 -5.213 231 HG3 ARG 30 3HG ARG 30 -0.079 19.736 -4.303 232 HD2 ARG 30 2HD ARG 30 -0.230 18.627 -6.220 233 HD3 ARG 30 3HD ARG 30 -1.715 19.506 -6.583 234 HE ARG 30 HE ARG 30 -0.557 20.722 -8.127 235 HH11 ARG 30 1HH1 ARG 30 1.710 19.262 -5.926 236 HH12 ARG 30 2HH1 ARG 30 3.105 19.775 -6.817 237 HH21 ARG 30 1HH2 ARG 30 1.271 21.404 -9.309 238 HH22 ARG 30 2HH2 ARG 30 2.854 20.995 -8.740 239 H VAL 31 H VAL 31 -3.070 20.617 -7.804 240 HA VAL 31 HA VAL 31 -5.825 19.817 -7.144 241 HB VAL 31 HB VAL 31 -5.651 21.324 -9.068 242 HG11 VAL 31 1HG1 VAL 31 -4.513 19.502 -10.974 243 HG12 VAL 31 2HG1 VAL 31 -4.040 21.158 -10.590 244 HG13 VAL 31 3HG1 VAL 31 -3.368 19.812 -9.668 245 HG21 VAL 31 1HG2 VAL 31 -7.334 19.412 -8.912 246 HG22 VAL 31 2HG2 VAL 31 -7.085 20.137 -10.500 247 HG23 VAL 31 3HG2 VAL 31 -6.334 18.590 -10.110 248 H ILE 32 H ILE 32 -6.440 17.722 -7.260 249 HA ILE 32 HA ILE 32 -4.404 15.767 -8.111 250 HB ILE 32 HB ILE 32 -5.528 14.201 -6.460 251 HG12 ILE 32 2HG1 ILE 32 -6.592 16.806 -5.349 252 HG13 ILE 32 3HG1 ILE 32 -7.569 15.586 -6.158 253 HG21 ILE 32 1HG2 ILE 32 -3.642 14.636 -5.375 254 HG22 ILE 32 2HG2 ILE 32 -3.577 16.255 -6.067 255 HG23 ILE 32 3HG2 ILE 32 -4.453 15.975 -4.563 256 HD11 ILE 32 1HD1 ILE 32 -7.602 15.604 -3.628 257 HD12 ILE 32 2HD1 ILE 32 -7.286 14.053 -4.407 258 HD13 ILE 32 3HD1 ILE 32 -5.956 14.975 -3.706 259 H SER 33 H SER 33 -4.983 14.393 -9.662 260 HA SER 33 HA SER 33 -7.822 14.284 -10.422 261 HB2 SER 33 2HB SER 33 -5.783 13.202 -12.276 262 HB3 SER 33 3HB SER 33 -7.199 14.199 -12.611 263 HG SER 33 HG SER 33 -6.067 15.994 -12.153 264 H ILE 34 H ILE 34 -8.902 12.496 -9.960 265 HA ILE 34 HA ILE 34 -7.603 9.901 -10.172 266 HB ILE 34 HB ILE 34 -8.286 9.129 -7.990 267 HG12 ILE 34 2HG1 ILE 34 -9.306 11.944 -7.546 268 HG13 ILE 34 3HG1 ILE 34 -10.301 10.504 -7.731 269 HG21 ILE 34 1HG2 ILE 34 -6.669 10.221 -6.672 270 HG22 ILE 34 2HG2 ILE 34 -6.100 10.372 -8.334 271 HG23 ILE 34 3HG2 ILE 34 -6.874 11.743 -7.540 272 HD11 ILE 34 1HD1 ILE 34 -10.234 10.939 -5.432 273 HD12 ILE 34 2HD1 ILE 34 -9.109 9.604 -5.684 274 HD13 ILE 34 3HD1 ILE 34 -8.497 11.241 -5.455 275 H ALA 35 H ALA 35 -9.043 8.173 -10.455 276 HA ALA 35 HA ALA 35 -11.496 8.845 -11.719 277 HB1 ALA 35 1HB ALA 35 -11.466 6.083 -11.078 278 HB2 ALA 35 2HB ALA 35 -11.151 6.855 -12.633 279 HB3 ALA 35 3HB ALA 35 -9.824 6.559 -11.510 280 H GLU 36 H GLU 36 -13.625 8.312 -11.099 281 HA GLU 36 HA GLU 36 -14.286 8.883 -8.438 282 HB2 GLU 36 2HB GLU 36 -15.698 8.963 -10.663 283 HB3 GLU 36 3HB GLU 36 -16.176 7.345 -10.169 284 HG2 GLU 36 2HG GLU 36 -16.731 8.459 -7.904 285 HG3 GLU 36 3HG GLU 36 -16.706 9.960 -8.829 286 H GLU 37 H GLU 37 -13.469 5.912 -9.990 287 HA GLU 37 HA GLU 37 -14.252 4.427 -7.568 288 HB2 GLU 37 2HB GLU 37 -14.676 3.871 -10.363 289 HB3 GLU 37 3HB GLU 37 -13.717 2.591 -9.634 290 HG2 GLU 37 2HG GLU 37 -15.607 2.823 -7.762 291 HG3 GLU 37 3HG GLU 37 -16.527 3.360 -9.167 292 H ALA 38 H ALA 38 -11.687 5.879 -8.742 293 HA ALA 38 HA ALA 38 -9.745 3.737 -8.610 294 HB1 ALA 38 1HB ALA 38 -8.189 5.883 -8.672 295 HB2 ALA 38 2HB ALA 38 -8.986 5.264 -10.119 296 HB3 ALA 38 3HB ALA 38 -9.678 6.634 -9.249 297 HA PRO 39 HA PRO 39 -8.709 3.986 -4.352 298 HB2 PRO 39 2HB PRO 39 -6.028 3.562 -4.416 299 HB3 PRO 39 3HB PRO 39 -7.210 2.286 -4.733 300 HG2 PRO 39 2HG PRO 39 -5.634 3.934 -6.673 301 HG3 PRO 39 3HG PRO 39 -5.976 2.194 -6.701 302 HD2 PRO 39 2HD PRO 39 -7.344 3.971 -8.217 303 HD3 PRO 39 3HD PRO 39 -8.089 2.494 -7.572 304 H LEU 40 H LEU 40 -7.496 5.185 -2.741 305 HA LEU 40 HA LEU 40 -7.333 7.945 -3.326 306 HB2 LEU 40 2HB LEU 40 -6.580 8.215 -1.053 307 HB3 LEU 40 3HB LEU 40 -7.903 7.052 -1.113 308 HG LEU 40 HG LEU 40 -5.341 5.722 -1.255 309 HD11 LEU 40 1HD1 LEU 40 -4.464 6.252 0.888 310 HD12 LEU 40 2HD1 LEU 40 -5.838 7.292 1.264 311 HD13 LEU 40 3HD1 LEU 40 -4.679 7.774 0.024 312 HD21 LEU 40 1HD2 LEU 40 -7.031 5.389 1.114 313 HD22 LEU 40 2HD2 LEU 40 -6.444 4.193 -0.042 314 HD23 LEU 40 3HD2 LEU 40 -7.871 5.160 -0.420 315 H THR 41 H THR 41 -5.023 5.373 -3.423 316 HA THR 41 HA THR 41 -2.615 6.689 -3.098 317 HB THR 41 HB THR 41 -2.566 4.791 -5.329 318 HG1 THR 41 HG1 THR 41 -3.558 3.143 -4.366 319 HG21 THR 41 1HG2 THR 41 -1.337 4.718 -2.570 320 HG22 THR 41 2HG2 THR 41 -0.601 5.460 -3.991 321 HG23 THR 41 3HG2 THR 41 -0.880 3.719 -3.949 322 H ALA 42 H ALA 42 -4.822 6.755 -5.801 323 HA ALA 42 HA ALA 42 -3.124 7.758 -7.787 324 HB1 ALA 42 1HB ALA 42 -5.199 8.622 -8.838 325 HB2 ALA 42 2HB ALA 42 -5.307 6.931 -8.350 326 HB3 ALA 42 3HB ALA 42 -6.079 8.181 -7.374 327 H ALA 43 H ALA 43 -5.000 9.419 -5.290 328 HA ALA 43 HA ALA 43 -4.278 12.042 -6.200 329 HB1 ALA 43 1HB ALA 43 -5.542 11.091 -3.634 330 HB2 ALA 43 2HB ALA 43 -5.308 12.786 -4.063 331 HB3 ALA 43 3HB ALA 43 -6.361 11.766 -5.043 332 H LEU 44 H LEU 44 -2.956 9.707 -3.986 333 HA LEU 44 HA LEU 44 -1.401 11.258 -2.320 334 HB2 LEU 44 2HB LEU 44 -1.648 8.566 -2.885 335 HB3 LEU 44 3HB LEU 44 0.030 8.919 -3.294 336 HG LEU 44 HG LEU 44 -0.485 10.092 -0.770 337 HD11 LEU 44 1HD1 LEU 44 -0.954 7.850 0.417 338 HD12 LEU 44 2HD1 LEU 44 -1.657 7.361 -1.125 339 HD13 LEU 44 3HD1 LEU 44 -2.309 8.754 -0.261 340 HD21 LEU 44 1HD2 LEU 44 1.251 8.546 -0.042 341 HD22 LEU 44 2HD2 LEU 44 1.666 9.269 -1.596 342 HD23 LEU 44 3HD2 LEU 44 1.060 7.614 -1.527 343 H ARG 45 H ARG 45 -0.947 10.538 -5.696 344 HA ARG 45 HA ARG 45 1.736 11.059 -6.064 345 HB2 ARG 45 2HB ARG 45 -0.268 10.490 -7.736 346 HB3 ARG 45 3HB ARG 45 -0.157 12.218 -8.044 347 HG2 ARG 45 2HG ARG 45 2.336 11.813 -8.418 348 HG3 ARG 45 3HG ARG 45 1.914 10.102 -8.499 349 HD2 ARG 45 2HD ARG 45 0.727 12.273 -10.224 350 HD3 ARG 45 3HD ARG 45 2.006 11.166 -10.721 351 HE ARG 45 HE ARG 45 -0.035 9.546 -9.896 352 HH11 ARG 45 1HH1 ARG 45 0.309 12.097 -12.239 353 HH12 ARG 45 2HH1 ARG 45 -0.892 11.453 -13.309 354 HH21 ARG 45 1HH2 ARG 45 -1.618 8.688 -11.296 355 HH22 ARG 45 2HH2 ARG 45 -1.988 9.515 -12.772 356 H PHE 46 H PHE 46 -0.913 13.439 -6.296 357 HA PHE 46 HA PHE 46 0.995 15.622 -6.223 358 HB2 PHE 46 2HB PHE 46 -1.918 15.346 -6.765 359 HB3 PHE 46 3HB PHE 46 -1.355 16.897 -6.151 360 HD1 PHE 46 HD1 PHE 46 1.065 17.501 -7.401 361 HD2 PHE 46 HD2 PHE 46 -2.239 15.365 -9.026 362 HE1 PHE 46 HE1 PHE 46 1.770 18.143 -9.669 363 HE2 PHE 46 HE2 PHE 46 -1.538 16.003 -11.297 364 HZ PHE 46 HZ PHE 46 0.469 17.393 -11.621 365 H ALA 47 H ALA 47 -1.321 14.067 -4.115 366 HA ALA 47 HA ALA 47 -1.513 16.024 -2.119 367 HB1 ALA 47 1HB ALA 47 -1.809 13.757 -0.694 368 HB2 ALA 47 2HB ALA 47 -3.076 14.453 -1.706 369 HB3 ALA 47 3HB ALA 47 -2.074 13.140 -2.325 370 H ALA 48 H ALA 48 0.936 13.616 -2.781 371 HA ALA 48 HA ALA 48 2.270 13.673 -0.303 372 HB1 ALA 48 1HB ALA 48 3.416 13.121 -3.038 373 HB2 ALA 48 2HB ALA 48 4.159 12.700 -1.494 374 HB3 ALA 48 3HB ALA 48 2.647 11.934 -1.984 375 H GLU 49 H GLU 49 2.260 15.862 -2.996 376 HA GLU 49 HA GLU 49 4.677 17.227 -2.219 377 HB2 GLU 49 2HB GLU 49 2.572 18.277 -4.101 378 HB3 GLU 49 3HB GLU 49 4.286 18.667 -4.061 379 HG2 GLU 49 2HG GLU 49 4.563 16.111 -4.556 380 HG3 GLU 49 3HG GLU 49 2.913 16.267 -5.154 381 H GLU 50 H GLU 50 1.216 17.663 -1.801 382 HA GLU 50 HA GLU 50 1.247 20.296 -0.826 383 HB2 GLU 50 2HB GLU 50 -0.666 18.045 -0.183 384 HB3 GLU 50 3HB GLU 50 -0.950 19.745 0.165 385 HG2 GLU 50 2HG GLU 50 -0.634 20.110 -2.352 386 HG3 GLU 50 3HG GLU 50 -0.850 18.365 -2.488 387 H PHE 51 H PHE 51 1.495 17.182 0.846 388 HA PHE 51 HA PHE 51 1.928 18.545 3.389 389 HB2 PHE 51 2HB PHE 51 0.794 16.061 2.639 390 HB3 PHE 51 3HB PHE 51 2.238 15.699 3.579 391 HD1 PHE 51 HD1 PHE 51 2.485 17.097 5.795 392 HD2 PHE 51 HD2 PHE 51 -1.184 16.411 3.750 393 HE1 PHE 51 HE1 PHE 51 1.246 17.547 7.873 394 HE2 PHE 51 HE2 PHE 51 -2.429 16.860 5.825 395 HZ PHE 51 HZ PHE 51 -1.214 17.430 7.890 396 H GLY 52 H GLY 52 3.697 17.073 0.847 397 HA2 GLY 52 2HA GLY 52 5.967 16.908 0.507 398 HA3 GLY 52 3HA GLY 52 6.195 17.815 1.996 399 H ILE 53 H ILE 53 4.248 15.131 2.520 400 HA ILE 53 HA ILE 53 6.454 13.297 3.016 401 HB ILE 53 HB ILE 53 5.918 12.927 5.336 402 HG12 ILE 53 2HG1 ILE 53 3.847 15.107 4.996 403 HG13 ILE 53 3HG1 ILE 53 3.510 13.395 5.227 404 HG21 ILE 53 1HG2 ILE 53 6.829 14.893 6.273 405 HG22 ILE 53 2HG2 ILE 53 7.478 14.793 4.637 406 HG23 ILE 53 3HG2 ILE 53 6.156 15.904 4.994 407 HD11 ILE 53 1HD1 ILE 53 3.811 15.385 7.183 408 HD12 ILE 53 2HD1 ILE 53 3.569 13.654 7.419 409 HD13 ILE 53 3HD1 ILE 53 5.202 14.313 7.332 410 H ALA 54 H ALA 54 5.272 11.344 4.405 411 HA ALA 54 HA ALA 54 2.676 10.762 3.205 412 HB1 ALA 54 1HB ALA 54 3.417 8.580 2.369 413 HB2 ALA 54 2HB ALA 54 4.266 9.907 1.575 414 HB3 ALA 54 3HB ALA 54 5.074 8.970 2.832 415 H SER 55 H SER 55 1.864 10.872 5.322 416 HA SER 55 HA SER 55 1.728 8.458 6.721 417 HB2 SER 55 2HB SER 55 3.957 10.202 7.487 418 HB3 SER 55 3HB SER 55 2.914 9.762 8.839 419 HG SER 55 HG SER 55 4.229 8.073 8.766 420 H VAL 56 H VAL 56 2.058 11.728 8.073 421 HA VAL 56 HA VAL 56 -0.414 11.560 9.463 422 HB VAL 56 HB VAL 56 -0.049 13.860 10.106 423 HG11 VAL 56 1HG1 VAL 56 2.752 12.952 10.151 424 HG12 VAL 56 2HG1 VAL 56 1.682 13.408 11.478 425 HG13 VAL 56 3HG1 VAL 56 1.566 11.799 10.763 426 HG21 VAL 56 1HG2 VAL 56 2.371 14.601 8.951 427 HG22 VAL 56 2HG2 VAL 56 1.420 13.947 7.617 428 HG23 VAL 56 3HG2 VAL 56 0.779 15.269 8.593 429 H ASP 57 H ASP 57 0.455 12.531 6.283 430 HA ASP 57 HA ASP 57 -1.636 14.332 5.722 431 HB2 ASP 57 2HB ASP 57 -1.099 14.004 3.406 432 HB3 ASP 57 3HB ASP 57 0.410 13.969 4.313 433 H SER 58 H SER 58 -1.640 10.966 6.234 434 HA SER 58 HA SER 58 -3.741 10.128 4.583 435 HB2 SER 58 2HB SER 58 -2.135 8.735 6.071 436 HB3 SER 58 3HB SER 58 -3.325 9.007 7.344 437 HG SER 58 HG SER 58 -3.893 7.874 4.803 438 H MET 59 H MET 59 -3.730 11.948 7.536 439 HA MET 59 HA MET 59 -6.561 12.457 7.261 440 HB2 MET 59 2HB MET 59 -6.995 11.882 9.681 441 HB3 MET 59 3HB MET 59 -6.753 10.508 8.610 442 HG2 MET 59 2HG MET 59 -4.857 9.868 9.633 443 HG3 MET 59 3HG MET 59 -4.335 11.523 9.938 444 HE1 MET 59 1HE MET 59 -5.500 8.343 12.048 445 HE2 MET 59 2HE MET 59 -3.961 9.069 11.583 446 HE3 MET 59 3HE MET 59 -4.566 9.261 13.230 447 H ALA 60 H ALA 60 -5.600 14.544 6.816 448 HA ALA 60 HA ALA 60 -5.288 16.099 9.257 449 HB1 ALA 60 1HB ALA 60 -3.046 16.010 9.054 450 HB2 ALA 60 2HB ALA 60 -3.108 15.584 7.343 451 HB3 ALA 60 3HB ALA 60 -3.313 17.263 7.843 452 H ALA 61 H ALA 61 -7.473 16.610 8.341 453 HA ALA 61 HA ALA 61 -7.320 19.095 6.896 454 HB1 ALA 61 1HB ALA 61 -8.093 18.505 4.881 455 HB2 ALA 61 2HB ALA 61 -7.575 16.877 5.319 456 HB3 ALA 61 3HB ALA 61 -9.254 17.362 5.556 457 H THR 62 H THR 62 -9.241 20.322 7.022 458 HA THR 62 HA THR 62 -11.458 19.191 8.557 459 HB THR 62 HB THR 62 -11.460 21.381 9.927 460 HG1 THR 62 HG1 THR 62 -9.640 22.215 8.579 461 HG21 THR 62 1HG2 THR 62 -9.507 19.128 10.341 462 HG22 THR 62 2HG2 THR 62 -11.100 19.343 11.067 463 HG23 THR 62 3HG2 THR 62 -9.764 20.390 11.546 464 H THR 63 H THR 63 -13.426 20.308 8.328 465 HA THR 63 HA THR 63 -13.623 21.817 5.862 466 HB THR 63 HB THR 63 -15.970 21.288 7.647 467 HG1 THR 63 HG1 THR 63 -16.028 19.186 7.055 468 HG21 THR 63 1HG2 THR 63 -16.979 22.138 5.845 469 HG22 THR 63 2HG2 THR 63 -16.534 20.659 4.994 470 HG23 THR 63 3HG2 THR 63 -15.490 22.077 4.903 471 H LYS 64 H LYS 64 -15.004 23.777 5.774 472 HA LYS 64 HA LYS 64 -14.011 25.791 7.459 473 HB2 LYS 64 2HB LYS 64 -16.543 25.948 5.821 474 HB3 LYS 64 3HB LYS 64 -15.512 27.282 6.323 475 HG2 LYS 64 2HG LYS 64 -14.808 25.114 4.356 476 HG3 LYS 64 3HG LYS 64 -15.164 26.803 3.988 477 HD2 LYS 64 2HD LYS 64 -13.202 27.497 5.273 478 HD3 LYS 64 3HD LYS 64 -12.850 25.810 5.653 479 HE2 LYS 64 2HE LYS 64 -11.434 26.394 3.850 480 HE3 LYS 64 3HE LYS 64 -12.722 25.404 3.165 481 HZ1 LYS 64 1HZ LYS 64 -13.697 27.223 2.157 482 HZ2 LYS 64 2HZ LYS 64 -12.050 27.560 1.974 483 HZ3 LYS 64 3HZ LYS 64 -12.945 28.344 3.177 484 H ASP 65 H ASP 65 -16.729 23.677 7.758 485 HA ASP 65 HA ASP 65 -17.986 25.290 9.826 486 HB2 ASP 65 2HB ASP 65 -18.950 23.451 7.985 487 HB3 ASP 65 3HB ASP 65 -19.011 22.578 9.514 488 H GLY 66 H GLY 66 -15.763 22.674 9.543 489 HA2 GLY 66 2HA GLY 66 -14.534 22.553 11.823 490 HA3 GLY 66 3HA GLY 66 -16.098 21.973 12.378 491 H THR 67 H THR 67 -16.713 19.889 11.965 492 HA THR 67 HA THR 67 -14.779 17.933 11.673 493 HB THR 67 HB THR 67 -17.209 16.855 10.661 494 HG1 THR 67 HG1 THR 67 -17.683 18.365 13.013 495 HG21 THR 67 1HG2 THR 67 -16.213 16.792 13.506 496 HG22 THR 67 2HG2 THR 67 -15.494 15.837 12.209 497 HG23 THR 67 3HG2 THR 67 -17.176 15.576 12.668 498 H GLY 68 H GLY 68 -13.609 17.272 9.999 499 HA2 GLY 68 2HA GLY 68 -14.781 17.029 7.365 500 HA3 GLY 68 3HA GLY 68 -13.538 18.265 7.489 501 H ILE 69 H ILE 69 -14.051 14.859 8.410 502 HA ILE 69 HA ILE 69 -11.298 14.321 7.504 503 HB ILE 69 HB ILE 69 -12.791 12.955 9.747 504 HG12 ILE 69 2HG1 ILE 69 -10.252 14.583 9.895 505 HG13 ILE 69 3HG1 ILE 69 -11.847 15.274 10.172 506 HG21 ILE 69 1HG2 ILE 69 -10.353 12.259 8.235 507 HG22 ILE 69 2HG2 ILE 69 -10.266 12.081 9.987 508 HG23 ILE 69 3HG2 ILE 69 -11.506 11.221 9.073 509 HD11 ILE 69 1HD1 ILE 69 -11.709 14.663 12.288 510 HD12 ILE 69 2HD1 ILE 69 -11.649 12.973 11.786 511 HD13 ILE 69 3HD1 ILE 69 -10.155 13.888 11.985 512 H ASN 70 H ASN 70 -10.972 12.626 6.151 513 HA ASN 70 HA ASN 70 -13.373 11.291 5.135 514 HB2 ASN 70 2HB ASN 70 -11.697 10.569 3.295 515 HB3 ASN 70 3HB ASN 70 -12.222 12.249 3.338 516 HD21 ASN 70 1HD2 ASN 70 -10.339 12.808 2.178 517 HD22 ASN 70 2HD2 ASN 70 -8.809 12.929 2.971 518 HA PRO 71 HA PRO 71 -12.351 7.353 6.780 519 HB2 PRO 71 2HB PRO 71 -13.163 5.698 4.788 520 HB3 PRO 71 3HB PRO 71 -14.291 6.575 5.829 521 HG2 PRO 71 2HG PRO 71 -13.357 7.240 3.064 522 HG3 PRO 71 3HG PRO 71 -14.992 7.330 3.744 523 HD2 PRO 71 2HD PRO 71 -13.410 9.509 3.460 524 HD3 PRO 71 3HD PRO 71 -14.585 9.348 4.781 525 H ALA 72 H ALA 72 -11.490 7.526 3.318 526 HA ALA 72 HA ALA 72 -8.820 6.523 3.991 527 HB1 ALA 72 1HB ALA 72 -8.972 5.082 1.885 528 HB2 ALA 72 2HB ALA 72 -9.823 4.518 3.324 529 HB3 ALA 72 3HB ALA 72 -10.718 5.296 2.018 530 H GLN 73 H GLN 73 -10.473 8.965 2.779 531 HA GLN 73 HA GLN 73 -9.983 10.724 1.423 532 HB2 GLN 73 2HB GLN 73 -7.263 9.593 0.877 533 HB3 GLN 73 3HB GLN 73 -7.750 11.273 1.058 534 HG2 GLN 73 2HG GLN 73 -8.323 10.374 3.517 535 HG3 GLN 73 3HG GLN 73 -7.004 9.282 3.098 536 HE21 GLN 73 1HE2 GLN 73 -7.773 12.227 4.401 537 HE22 GLN 73 2HE2 GLN 73 -6.230 12.995 4.280 538 H THR 74 H THR 74 -11.057 8.211 0.356 539 HA THR 74 HA THR 74 -9.912 7.838 -2.253 540 HB THR 74 HB THR 74 -12.672 6.913 -1.527 541 HG1 THR 74 HG1 THR 74 -10.198 5.875 -0.575 542 HG21 THR 74 1HG2 THR 74 -12.194 6.229 -3.676 543 HG22 THR 74 2HG2 THR 74 -11.608 4.847 -2.750 544 HG23 THR 74 3HG2 THR 74 -10.470 6.053 -3.351 545 H ALA 75 H ALA 75 -11.195 8.095 -4.249 546 HA ALA 75 HA ALA 75 -12.057 10.743 -4.592 547 HB1 ALA 75 1HB ALA 75 -13.047 8.780 -6.548 548 HB2 ALA 75 2HB ALA 75 -12.108 10.254 -6.790 549 HB3 ALA 75 3HB ALA 75 -11.305 8.770 -6.275 550 H GLY 76 H GLY 76 -13.893 7.722 -4.257 551 HA2 GLY 76 2HA GLY 76 -16.447 8.888 -4.636 552 HA3 GLY 76 3HA GLY 76 -16.125 7.336 -3.876 553 H ASN 77 H ASN 77 -14.489 8.316 -1.755 554 HA ASN 77 HA ASN 77 -16.539 9.059 0.085 555 HB2 ASN 77 2HB ASN 77 -13.539 8.947 0.474 556 HB3 ASN 77 3HB ASN 77 -14.736 9.064 1.760 557 HD21 ASN 77 1HD2 ASN 77 -12.678 7.002 0.670 558 HD22 ASN 77 2HD2 ASN 77 -13.556 5.517 0.754 559 H VAL 78 H VAL 78 -13.533 10.707 -0.909 560 HA VAL 78 HA VAL 78 -14.007 13.125 0.385 561 HB VAL 78 HB VAL 78 -12.369 14.118 -1.072 562 HG11 VAL 78 1HG1 VAL 78 -10.810 12.981 0.023 563 HG12 VAL 78 2HG1 VAL 78 -11.972 11.690 0.333 564 HG13 VAL 78 3HG1 VAL 78 -10.967 11.645 -1.116 565 HG21 VAL 78 1HG2 VAL 78 -13.319 12.072 -2.935 566 HG22 VAL 78 2HG2 VAL 78 -12.604 13.652 -3.253 567 HG23 VAL 78 3HG2 VAL 78 -11.566 12.267 -2.913 568 H PHE 79 H PHE 79 -15.470 11.809 -2.431 569 HA PHE 79 HA PHE 79 -16.215 14.065 -3.858 570 HB2 PHE 79 2HB PHE 79 -16.594 11.783 -4.670 571 HB3 PHE 79 3HB PHE 79 -17.809 11.531 -3.422 572 HD1 PHE 79 HD1 PHE 79 -20.020 12.388 -3.652 573 HD2 PHE 79 HD2 PHE 79 -17.034 13.306 -6.544 574 HE1 PHE 79 HE1 PHE 79 -21.757 13.249 -5.168 575 HE2 PHE 79 HE2 PHE 79 -18.766 14.169 -8.063 576 HZ PHE 79 HZ PHE 79 -21.131 14.142 -7.376 577 H MET 80 H MET 80 -18.139 12.389 -1.363 578 HA MET 80 HA MET 80 -19.810 14.776 -1.101 579 HB2 MET 80 2HB MET 80 -20.456 12.112 -1.143 580 HB3 MET 80 3HB MET 80 -20.449 12.456 0.582 581 HG2 MET 80 2HG MET 80 -21.869 14.555 -0.285 582 HG3 MET 80 3HG MET 80 -22.281 13.381 -1.532 583 HE1 MET 80 1HE MET 80 -24.411 14.620 1.279 584 HE2 MET 80 2HE MET 80 -24.452 14.397 -0.470 585 HE3 MET 80 3HE MET 80 -25.421 13.358 0.575 586 H LYS 81 H LYS 81 -17.219 13.179 0.430 587 HA LYS 81 HA LYS 81 -17.747 14.156 3.088 588 HB2 LYS 81 2HB LYS 81 -16.420 12.052 2.451 589 HB3 LYS 81 3HB LYS 81 -15.097 13.147 2.074 590 HG2 LYS 81 2HG LYS 81 -14.495 12.997 4.200 591 HG3 LYS 81 3HG LYS 81 -15.943 13.923 4.603 592 HD2 LYS 81 2HD LYS 81 -15.767 10.915 4.413 593 HD3 LYS 81 3HD LYS 81 -15.800 11.853 5.908 594 HE2 LYS 81 2HE LYS 81 -18.005 12.796 4.614 595 HE3 LYS 81 3HE LYS 81 -17.980 11.113 4.089 596 HZ1 LYS 81 1HZ LYS 81 -17.533 11.537 6.920 597 HZ2 LYS 81 2HZ LYS 81 -18.485 10.381 6.135 598 HZ3 LYS 81 3HZ LYS 81 -19.080 11.947 6.372 599 H TYR 82 H TYR 82 -15.208 14.836 0.673 600 HA TYR 82 HA TYR 82 -14.526 17.297 2.059 601 HB2 TYR 82 2HB TYR 82 -13.312 15.700 -0.156 602 HB3 TYR 82 3HB TYR 82 -12.891 17.403 -0.011 603 HD1 TYR 82 HD1 TYR 82 -13.494 14.830 2.623 604 HD2 TYR 82 HD2 TYR 82 -10.712 17.473 0.785 605 HE1 TYR 82 HE1 TYR 82 -11.831 14.267 4.345 606 HE2 TYR 82 HE2 TYR 82 -9.041 16.917 2.502 607 HH TYR 82 HH TYR 82 -8.526 15.470 4.170 608 H GLY 83 H GLY 83 -16.219 16.240 -0.799 609 HA2 GLY 83 2HA GLY 83 -17.267 17.403 -2.494 610 HA3 GLY 83 3HA GLY 83 -17.771 18.448 -1.173 611 H GLN 84 H GLN 84 -14.474 17.996 -2.348 612 HA GLN 84 HA GLN 84 -12.918 19.524 -3.020 613 HB2 GLN 84 2HB GLN 84 -15.214 20.652 -4.625 614 HB3 GLN 84 3HB GLN 84 -13.499 20.784 -4.992 615 HG2 GLN 84 2HG GLN 84 -13.342 18.483 -5.521 616 HG3 GLN 84 3HG GLN 84 -14.945 18.155 -4.865 617 HE21 GLN 84 1HE2 GLN 84 -16.774 19.108 -5.981 618 HE22 GLN 84 2HE2 GLN 84 -16.688 19.347 -7.689 619 H GLU 85 H GLU 85 -13.933 20.211 -0.578 620 HA GLU 85 HA GLU 85 -13.459 23.041 -0.546 621 HB2 GLU 85 2HB GLU 85 -15.986 22.653 -1.036 622 HB3 GLU 85 3HB GLU 85 -16.076 22.209 0.663 623 HG2 GLU 85 2HG GLU 85 -14.989 24.444 1.156 624 HG3 GLU 85 3HG GLU 85 -15.315 24.855 -0.527 625 H ILE 86 H ILE 86 -11.737 21.674 0.601 626 HA ILE 86 HA ILE 86 -12.319 21.785 3.462 627 HB ILE 86 HB ILE 86 -11.124 19.369 2.101 628 HG12 ILE 86 2HG1 ILE 86 -13.604 19.529 2.074 629 HG13 ILE 86 3HG1 ILE 86 -13.020 18.169 3.026 630 HG21 ILE 86 1HG2 ILE 86 -10.938 18.438 4.387 631 HG22 ILE 86 2HG2 ILE 86 -9.884 19.825 4.114 632 HG23 ILE 86 3HG2 ILE 86 -11.376 20.020 5.034 633 HD11 ILE 86 1HD1 ILE 86 -13.435 19.371 5.069 634 HD12 ILE 86 2HD1 ILE 86 -13.905 20.809 4.162 635 HD13 ILE 86 3HD1 ILE 86 -14.895 19.352 4.081 636 H ARG 87 H ARG 87 -10.580 22.330 4.732 637 HA ARG 87 HA ARG 87 -8.236 23.300 3.288 638 HB2 ARG 87 2HB ARG 87 -9.716 24.169 5.581 639 HB3 ARG 87 3HB ARG 87 -8.045 23.891 6.053 640 HG2 ARG 87 2HG ARG 87 -8.467 25.402 3.554 641 HG3 ARG 87 3HG ARG 87 -8.926 26.207 5.056 642 HD2 ARG 87 2HD ARG 87 -6.304 24.835 5.016 643 HD3 ARG 87 3HD ARG 87 -6.450 26.299 4.044 644 HE ARG 87 HE ARG 87 -6.373 26.122 6.907 645 HH11 ARG 87 1HH1 ARG 87 -7.472 28.011 4.197 646 HH12 ARG 87 2HH1 ARG 87 -7.520 29.498 5.086 647 HH21 ARG 87 1HH2 ARG 87 -6.432 28.073 8.087 648 HH22 ARG 87 2HH2 ARG 87 -6.927 29.532 7.298 649 H LEU 88 H LEU 88 -6.125 22.723 3.802 650 HA LEU 88 HA LEU 88 -5.857 20.079 4.985 651 HB2 LEU 88 2HB LEU 88 -4.523 21.559 2.949 652 HB3 LEU 88 3HB LEU 88 -3.346 21.120 4.186 653 HG LEU 88 HG LEU 88 -5.146 19.155 2.771 654 HD11 LEU 88 1HD1 LEU 88 -3.454 18.674 1.281 655 HD12 LEU 88 2HD1 LEU 88 -2.207 19.399 2.296 656 HD13 LEU 88 3HD1 LEU 88 -3.334 20.428 1.412 657 HD21 LEU 88 1HD2 LEU 88 -4.490 17.747 4.356 658 HD22 LEU 88 2HD2 LEU 88 -3.472 18.986 5.091 659 HD23 LEU 88 3HD2 LEU 88 -2.826 17.958 3.811 660 H ILE 89 H ILE 89 -5.578 19.960 7.110 661 HA ILE 89 HA ILE 89 -3.675 21.816 8.371 662 HB ILE 89 HB ILE 89 -5.961 22.496 8.974 663 HG12 ILE 89 2HG1 ILE 89 -4.388 21.229 11.227 664 HG13 ILE 89 3HG1 ILE 89 -4.158 22.850 10.582 665 HG21 ILE 89 1HG2 ILE 89 -7.416 21.065 10.249 666 HG22 ILE 89 2HG2 ILE 89 -6.982 20.251 8.746 667 HG23 ILE 89 3HG2 ILE 89 -6.207 19.781 10.259 668 HD11 ILE 89 1HD1 ILE 89 -6.530 23.329 11.288 669 HD12 ILE 89 2HD1 ILE 89 -6.479 21.798 12.164 670 HD13 ILE 89 3HD1 ILE 89 -5.360 23.093 12.587 671 HA PRO 90 HA PRO 90 -1.784 18.043 9.702 672 HB2 PRO 90 2HB PRO 90 -0.037 19.142 11.466 673 HB3 PRO 90 3HB PRO 90 0.186 19.226 9.714 674 HG2 PRO 90 2HG PRO 90 -0.913 21.289 11.585 675 HG3 PRO 90 3HG PRO 90 0.221 21.492 10.236 676 HD2 PRO 90 2HD PRO 90 -2.414 22.080 10.026 677 HD3 PRO 90 3HD PRO 90 -1.459 21.474 8.658 678 H ARG 91 H ARG 91 -3.348 16.939 10.843 679 HA ARG 91 HA ARG 91 -3.620 17.644 13.692 680 HB2 ARG 91 2HB ARG 91 -5.652 17.593 11.899 681 HB3 ARG 91 3HB ARG 91 -5.693 15.931 12.470 682 HG2 ARG 91 2HG ARG 91 -5.473 17.428 14.787 683 HG3 ARG 91 3HG ARG 91 -6.573 18.360 13.769 684 HD2 ARG 91 2HD ARG 91 -8.104 16.973 14.700 685 HD3 ARG 91 3HD ARG 91 -7.597 15.925 13.376 686 HE ARG 91 HE ARG 91 -5.991 15.520 15.684 687 HH11 ARG 91 1HH1 ARG 91 -9.112 14.808 14.317 688 HH12 ARG 91 2HH1 ARG 91 -9.320 13.345 15.222 689 HH21 ARG 91 1HH2 ARG 91 -6.253 13.596 16.881 690 HH22 ARG 91 2HH2 ARG 91 -7.693 12.657 16.681 691 H ASP 92 H ASP 92 -4.003 15.810 15.146 692 HA ASP 92 HA ASP 92 -3.429 13.799 16.043 693 HB2 ASP 92 2HB ASP 92 -4.709 13.155 13.762 694 HB3 ASP 92 3HB ASP 92 -3.130 12.455 13.417 695 H ARG 93 H ARG 93 -1.395 15.733 15.053 696 HA ARG 93 HA ARG 93 0.889 13.904 15.172 697 HB2 ARG 93 2HB ARG 93 0.564 14.471 12.799 698 HB3 ARG 93 3HB ARG 93 0.646 16.182 13.198 699 HG2 ARG 93 2HG ARG 93 2.960 15.803 14.041 700 HG3 ARG 93 3HG ARG 93 2.854 14.153 13.426 701 HD2 ARG 93 2HD ARG 93 2.183 15.329 11.198 702 HD3 ARG 93 3HD ARG 93 2.953 16.737 11.928 703 HE ARG 93 HE ARG 93 4.597 14.397 12.035 704 HH11 ARG 93 1HH1 ARG 93 3.571 17.044 10.020 705 HH12 ARG 93 2HH1 ARG 93 4.997 17.020 9.037 706 HH21 ARG 93 1HH2 ARG 93 6.479 14.355 10.748 707 HH22 ARG 93 2HH2 ARG 93 6.651 15.490 9.452 708 H VAL 94 H VAL 94 0.369 17.413 14.788 709 HA VAL 94 HA VAL 94 2.478 18.180 16.463 710 HB VAL 94 HB VAL 94 -0.034 19.766 15.919 711 HG11 VAL 94 1HG1 VAL 94 0.939 21.238 17.281 712 HG12 VAL 94 2HG1 VAL 94 2.447 20.323 17.318 713 HG13 VAL 94 3HG1 VAL 94 2.142 21.470 16.013 714 HG21 VAL 94 1HG2 VAL 94 0.662 19.338 13.776 715 HG22 VAL 94 2HG2 VAL 94 1.615 20.777 14.137 716 HG23 VAL 94 3HG2 VAL 94 2.356 19.180 14.239 717 H GLY 95 H GLY 95 -1.025 18.290 17.167 718 HA2 GLY 95 2HA GLY 95 -0.461 17.514 19.926 719 HA3 GLY 95 3HA GLY 95 -1.210 19.085 19.683 Start of MODEL 18 1 H1 MET 1 H MET 1 5.874 4.010 4.585 2 HA MET 1 HA MET 1 5.200 1.771 4.153 3 HB2 MET 1 2HB MET 1 2.640 3.139 3.338 4 HB3 MET 1 3HB MET 1 2.966 1.452 2.964 5 HG2 MET 1 2HG MET 1 2.276 0.845 4.970 6 HG3 MET 1 3HG MET 1 3.487 1.879 5.725 7 HE1 MET 1 1HE MET 1 -0.710 2.137 6.492 8 HE2 MET 1 2HE MET 1 0.332 0.818 5.960 9 HE3 MET 1 3HE MET 1 0.655 1.635 7.490 10 H SER 2 H SER 2 4.779 0.639 1.968 11 HA SER 2 HA SER 2 6.115 2.238 -0.107 12 HB2 SER 2 2HB SER 2 5.958 -0.772 0.195 13 HB3 SER 2 3HB SER 2 6.844 0.091 -1.062 14 HG SER 2 HG SER 2 8.225 0.896 0.483 15 H GLN 3 H GLN 3 5.225 2.505 -2.088 16 HA GLN 3 HA GLN 3 3.173 0.882 -3.165 17 HB2 GLN 3 2HB GLN 3 1.996 2.224 -1.308 18 HB3 GLN 3 3HB GLN 3 2.189 3.611 -2.372 19 HG2 GLN 3 2HG GLN 3 0.413 3.022 -3.546 20 HG3 GLN 3 3HG GLN 3 1.091 1.422 -3.846 21 HE21 GLN 3 1HE2 GLN 3 0.290 -0.296 -2.781 22 HE22 GLN 3 2HE2 GLN 3 -0.979 -0.218 -1.612 23 H ASN 4 H ASN 4 2.612 1.469 -5.293 24 HA ASN 4 HA ASN 4 4.579 3.163 -6.573 25 HB2 ASN 4 2HB ASN 4 2.423 1.326 -7.609 26 HB3 ASN 4 3HB ASN 4 3.359 2.365 -8.680 27 HD21 ASN 4 1HD2 ASN 4 5.773 2.177 -8.382 28 HD22 ASN 4 2HD2 ASN 4 6.404 0.581 -8.184 29 H GLU 5 H GLU 5 4.247 5.279 -6.697 30 HA GLU 5 HA GLU 5 1.562 6.370 -6.640 31 HB2 GLU 5 2HB GLU 5 4.249 7.749 -6.772 32 HB3 GLU 5 3HB GLU 5 2.704 8.559 -6.559 33 HG2 GLU 5 2HG GLU 5 2.707 8.178 -4.376 34 HG3 GLU 5 3HG GLU 5 3.075 6.469 -4.602 35 H GLU 6 H GLU 6 1.332 5.119 -8.815 36 HA GLU 6 HA GLU 6 1.345 7.114 -10.891 37 HB2 GLU 6 2HB GLU 6 2.507 5.535 -12.517 38 HB3 GLU 6 3HB GLU 6 3.530 6.356 -11.346 39 HG2 GLU 6 2HG GLU 6 4.091 4.449 -10.288 40 HG3 GLU 6 3HG GLU 6 2.507 3.716 -10.535 41 H ALA 7 H ALA 7 -0.927 6.717 -10.513 42 HA ALA 7 HA ALA 7 -2.055 4.145 -11.111 43 HB1 ALA 7 1HB ALA 7 -3.567 5.114 -9.775 44 HB2 ALA 7 2HB ALA 7 -3.030 6.743 -10.188 45 HB3 ALA 7 3HB ALA 7 -4.151 5.888 -11.248 46 HA PRO 8 HA PRO 8 -2.651 4.421 -15.449 47 HB2 PRO 8 2HB PRO 8 -5.124 3.348 -15.768 48 HB3 PRO 8 3HB PRO 8 -3.707 2.383 -15.337 49 HG2 PRO 8 2HG PRO 8 -5.876 3.457 -13.574 50 HG3 PRO 8 3HG PRO 8 -5.112 1.856 -13.560 51 HD2 PRO 8 2HD PRO 8 -4.435 3.808 -11.810 52 HD3 PRO 8 3HD PRO 8 -3.268 2.607 -12.399 53 H ALA 9 H ALA 9 -5.586 5.416 -13.682 54 HA ALA 9 HA ALA 9 -7.088 7.092 -14.035 55 HB1 ALA 9 1HB ALA 9 -4.857 8.599 -15.366 56 HB2 ALA 9 2HB ALA 9 -6.210 9.236 -14.431 57 HB3 ALA 9 3HB ALA 9 -4.918 8.350 -13.621 58 H ARG 10 H ARG 10 -6.732 5.059 -16.135 59 HA ARG 10 HA ARG 10 -7.609 6.617 -18.476 60 HB2 ARG 10 2HB ARG 10 -6.291 3.905 -18.308 61 HB3 ARG 10 3HB ARG 10 -6.999 4.549 -19.783 62 HG2 ARG 10 2HG ARG 10 -5.364 6.589 -19.026 63 HG3 ARG 10 3HG ARG 10 -4.457 5.175 -18.485 64 HD2 ARG 10 2HD ARG 10 -5.371 4.471 -21.005 65 HD3 ARG 10 3HD ARG 10 -4.925 6.169 -21.170 66 HE ARG 10 HE ARG 10 -2.834 4.955 -19.842 67 HH11 ARG 10 1HH1 ARG 10 -4.431 4.625 -22.918 68 HH12 ARG 10 2HH1 ARG 10 -3.014 4.065 -23.742 69 HH21 ARG 10 1HH2 ARG 10 -0.961 4.219 -20.915 70 HH22 ARG 10 2HH2 ARG 10 -1.040 3.834 -22.601 71 H SER 11 H SER 11 -8.056 3.329 -17.159 72 HA SER 11 HA SER 11 -10.728 3.206 -18.252 73 HB2 SER 11 2HB SER 11 -8.788 1.316 -17.150 74 HB3 SER 11 3HB SER 11 -10.438 0.991 -16.619 75 HG SER 11 HG SER 11 -10.983 0.465 -18.600 76 H GLY 12 H GLY 12 -12.376 4.142 -17.247 77 HA2 GLY 12 2HA GLY 12 -13.766 3.728 -15.159 78 HA3 GLY 12 3HA GLY 12 -12.331 4.266 -14.298 79 H GLY 13 H GLY 13 -13.889 5.840 -13.393 80 HA2 GLY 13 2HA GLY 13 -14.770 7.951 -15.186 81 HA3 GLY 13 3HA GLY 13 -15.086 7.846 -13.461 82 H LYS 14 H LYS 14 -14.540 10.238 -13.902 83 HA LYS 14 HA LYS 14 -11.720 10.602 -13.190 84 HB2 LYS 14 2HB LYS 14 -12.260 11.096 -15.677 85 HB3 LYS 14 3HB LYS 14 -13.070 12.530 -15.058 86 HG2 LYS 14 2HG LYS 14 -11.138 13.576 -14.573 87 HG3 LYS 14 3HG LYS 14 -10.334 12.089 -14.068 88 HD2 LYS 14 2HD LYS 14 -10.844 11.899 -16.853 89 HD3 LYS 14 3HD LYS 14 -10.120 13.478 -16.543 90 HE2 LYS 14 2HE LYS 14 -8.959 10.981 -15.358 91 HE3 LYS 14 3HE LYS 14 -8.569 11.469 -17.006 92 HZ1 LYS 14 1HZ LYS 14 -6.915 12.326 -15.534 93 HZ2 LYS 14 2HZ LYS 14 -8.080 13.029 -14.529 94 HZ3 LYS 14 3HZ LYS 14 -7.838 13.629 -16.092 95 H VAL 15 H VAL 15 -11.358 12.104 -11.633 96 HA VAL 15 HA VAL 15 -13.392 14.060 -10.960 97 HB VAL 15 HB VAL 15 -14.186 12.175 -9.674 98 HG11 VAL 15 1HG1 VAL 15 -12.303 10.759 -9.524 99 HG12 VAL 15 2HG1 VAL 15 -11.339 11.998 -8.718 100 HG13 VAL 15 3HG1 VAL 15 -12.681 11.231 -7.868 101 HG21 VAL 15 1HG2 VAL 15 -12.807 13.713 -7.549 102 HG22 VAL 15 2HG2 VAL 15 -13.803 14.621 -8.687 103 HG23 VAL 15 3HG2 VAL 15 -14.516 13.318 -7.736 104 H THR 16 H THR 16 -12.577 15.836 -9.930 105 HA THR 16 HA THR 16 -9.725 15.756 -9.192 106 HB THR 16 HB THR 16 -10.575 18.396 -10.020 107 HG1 THR 16 HG1 THR 16 -10.648 16.374 -12.029 108 HG21 THR 16 1HG2 THR 16 -8.546 18.345 -11.274 109 HG22 THR 16 2HG2 THR 16 -8.502 16.582 -11.247 110 HG23 THR 16 3HG2 THR 16 -8.238 17.494 -9.761 111 H PHE 17 H PHE 17 -9.271 16.454 -7.206 112 HA PHE 17 HA PHE 17 -11.332 17.999 -5.775 113 HB2 PHE 17 2HB PHE 17 -9.353 15.979 -4.705 114 HB3 PHE 17 3HB PHE 17 -10.386 16.983 -3.693 115 HD1 PHE 17 HD1 PHE 17 -12.970 16.893 -4.526 116 HD2 PHE 17 HD2 PHE 17 -10.056 13.829 -5.012 117 HE1 PHE 17 HE1 PHE 17 -14.765 15.219 -4.695 118 HE2 PHE 17 HE2 PHE 17 -11.846 12.149 -5.182 119 HZ PHE 17 HZ PHE 17 -14.204 12.843 -5.025 120 H ARG 18 H ARG 18 -10.765 19.862 -4.790 121 HA ARG 18 HA ARG 18 -7.962 20.708 -5.072 122 HB2 ARG 18 2HB ARG 18 -10.555 22.229 -5.075 123 HB3 ARG 18 3HB ARG 18 -9.029 23.040 -4.747 124 HG2 ARG 18 2HG ARG 18 -8.331 22.896 -6.892 125 HG3 ARG 18 3HG ARG 18 -9.127 21.344 -7.162 126 HD2 ARG 18 2HD ARG 18 -11.305 22.524 -7.207 127 HD3 ARG 18 3HD ARG 18 -10.444 24.055 -7.058 128 HE ARG 18 HE ARG 18 -9.508 22.519 -9.269 129 HH11 ARG 18 1HH1 ARG 18 -12.062 24.636 -8.211 130 HH12 ARG 18 2HH1 ARG 18 -12.441 25.190 -9.808 131 HH21 ARG 18 1HH2 ARG 18 -9.998 23.241 -11.376 132 HH22 ARG 18 2HH2 ARG 18 -11.267 24.396 -11.608 133 H ILE 19 H ILE 19 -6.818 20.672 -3.263 134 HA ILE 19 HA ILE 19 -8.202 21.176 -0.710 135 HB ILE 19 HB ILE 19 -6.245 19.943 0.324 136 HG12 ILE 19 2HG1 ILE 19 -5.845 19.071 -2.547 137 HG13 ILE 19 3HG1 ILE 19 -4.737 20.071 -1.614 138 HG21 ILE 19 1HG2 ILE 19 -7.262 17.812 0.042 139 HG22 ILE 19 2HG2 ILE 19 -8.546 19.016 -0.050 140 HG23 ILE 19 3HG2 ILE 19 -7.931 18.269 -1.524 141 HD11 ILE 19 1HD1 ILE 19 -5.283 17.654 -0.189 142 HD12 ILE 19 2HD1 ILE 19 -4.768 17.283 -1.835 143 HD13 ILE 19 3HD1 ILE 19 -3.748 18.276 -0.794 144 H ILE 20 H ILE 20 -7.618 22.917 0.407 145 HA ILE 20 HA ILE 20 -5.198 24.359 -0.431 146 HB ILE 20 HB ILE 20 -7.477 25.451 1.216 147 HG12 ILE 20 2HG1 ILE 20 -8.328 24.759 -0.969 148 HG13 ILE 20 3HG1 ILE 20 -8.267 26.515 -0.863 149 HG21 ILE 20 1HG2 ILE 20 -5.209 26.559 1.288 150 HG22 ILE 20 2HG2 ILE 20 -5.440 26.942 -0.417 151 HG23 ILE 20 3HG2 ILE 20 -6.552 27.586 0.789 152 HD11 ILE 20 1HD1 ILE 20 -6.272 26.569 -2.202 153 HD12 ILE 20 2HD1 ILE 20 -6.195 24.807 -2.217 154 HD13 ILE 20 3HD1 ILE 20 -7.517 25.639 -3.036 155 H LEU 21 H LEU 21 -3.493 24.361 0.867 156 HA LEU 21 HA LEU 21 -3.816 23.462 3.635 157 HB2 LEU 21 2HB LEU 21 -1.772 23.190 1.601 158 HB3 LEU 21 3HB LEU 21 -1.104 23.770 3.125 159 HG LEU 21 HG LEU 21 -2.805 21.294 2.921 160 HD11 LEU 21 1HD1 LEU 21 -0.474 21.459 1.629 161 HD12 LEU 21 2HD1 LEU 21 -1.015 19.993 2.446 162 HD13 LEU 21 3HD1 LEU 21 0.126 21.076 3.243 163 HD21 LEU 21 1HD2 LEU 21 -2.698 21.383 5.135 164 HD22 LEU 21 2HD2 LEU 21 -1.650 22.800 5.072 165 HD23 LEU 21 3HD2 LEU 21 -0.949 21.182 5.021 166 H THR 22 H THR 22 -2.768 24.568 5.366 167 HA THR 22 HA THR 22 -2.717 27.462 4.959 168 HB THR 22 HB THR 22 -2.825 27.658 7.381 169 HG1 THR 22 HG1 THR 22 -2.388 24.866 7.264 170 HG21 THR 22 1HG2 THR 22 -5.033 27.050 7.622 171 HG22 THR 22 2HG2 THR 22 -4.807 25.502 6.807 172 HG23 THR 22 3HG2 THR 22 -4.869 26.993 5.868 173 H SER 23 H SER 23 -0.612 24.800 5.607 174 HA SER 23 HA SER 23 1.563 26.500 6.519 175 HB2 SER 23 2HB SER 23 1.054 24.114 7.370 176 HB3 SER 23 3HB SER 23 1.800 23.568 5.868 177 HG SER 23 HG SER 23 3.693 24.068 6.639 178 H GLU 24 H GLU 24 0.325 25.308 3.588 179 HA GLU 24 HA GLU 24 2.891 25.556 2.204 180 HB2 GLU 24 2HB GLU 24 1.118 23.657 1.854 181 HB3 GLU 24 3HB GLU 24 0.326 24.848 0.832 182 HG2 GLU 24 2HG GLU 24 1.750 23.350 -0.457 183 HG3 GLU 24 3HG GLU 24 2.305 25.020 -0.552 184 H ARG 25 H ARG 25 2.441 27.955 2.998 185 HA ARG 25 HA ARG 25 0.631 29.550 1.545 186 HB2 ARG 25 2HB ARG 25 1.882 31.446 2.377 187 HB3 ARG 25 3HB ARG 25 1.726 30.248 3.655 188 HG2 ARG 25 2HG ARG 25 3.916 30.567 3.939 189 HG3 ARG 25 3HG ARG 25 4.093 29.531 2.522 190 HD2 ARG 25 2HD ARG 25 3.711 31.885 1.302 191 HD3 ARG 25 3HD ARG 25 4.443 32.455 2.801 192 HE ARG 25 HE ARG 25 6.048 30.400 1.917 193 HH11 ARG 25 1HH1 ARG 25 4.974 33.478 0.695 194 HH12 ARG 25 2HH1 ARG 25 6.404 33.751 -0.245 195 HH21 ARG 25 1HH2 ARG 25 7.935 30.747 0.683 196 HH22 ARG 25 2HH2 ARG 25 8.087 32.196 -0.251 197 H SER 26 H SER 26 3.532 28.046 0.622 198 HA SER 26 HA SER 26 4.597 29.835 -1.236 199 HB2 SER 26 2HB SER 26 5.419 27.470 -0.370 200 HB3 SER 26 3HB SER 26 4.625 26.908 -1.841 201 HG SER 26 HG SER 26 6.988 28.197 -1.549 202 H GLN 27 H GLN 27 1.868 27.662 -1.454 203 HA GLN 27 HA GLN 27 0.668 29.019 -3.579 204 HB2 GLN 27 2HB GLN 27 0.903 27.151 -5.311 205 HB3 GLN 27 3HB GLN 27 2.281 28.221 -5.092 206 HG2 GLN 27 2HG GLN 27 3.522 26.599 -3.979 207 HG3 GLN 27 3HG GLN 27 2.098 25.623 -3.621 208 HE21 GLN 27 1HE2 GLN 27 3.675 23.995 -4.516 209 HE22 GLN 27 2HE2 GLN 27 3.608 23.702 -6.217 210 HA PRO 28 HA PRO 28 -1.834 25.937 -1.127 211 HB2 PRO 28 2HB PRO 28 -3.608 27.757 -0.173 212 HB3 PRO 28 3HB PRO 28 -2.086 27.380 0.643 213 HG2 PRO 28 2HG PRO 28 -2.753 29.678 -1.157 214 HG3 PRO 28 3HG PRO 28 -1.839 29.676 0.363 215 HD2 PRO 28 2HD PRO 28 -0.634 29.743 -2.061 216 HD3 PRO 28 3HD PRO 28 0.094 28.942 -0.654 217 H PHE 29 H PHE 29 -2.266 25.380 -3.455 218 HA PHE 29 HA PHE 29 -5.008 25.486 -4.001 219 HB2 PHE 29 2HB PHE 29 -4.733 26.818 -6.220 220 HB3 PHE 29 3HB PHE 29 -4.928 27.703 -4.710 221 HD1 PHE 29 HD1 PHE 29 -3.258 29.162 -3.927 222 HD2 PHE 29 HD2 PHE 29 -2.453 26.574 -7.209 223 HE1 PHE 29 HE1 PHE 29 -1.162 30.375 -4.365 224 HE2 PHE 29 HE2 PHE 29 -0.356 27.782 -7.652 225 HZ PHE 29 HZ PHE 29 0.292 29.684 -6.229 226 H ARG 30 H ARG 30 -3.244 23.435 -3.884 227 HA ARG 30 HA ARG 30 -2.520 22.705 -6.614 228 HB2 ARG 30 2HB ARG 30 -1.365 22.200 -4.131 229 HB3 ARG 30 3HB ARG 30 -2.072 20.660 -4.599 230 HG2 ARG 30 2HG ARG 30 -0.104 22.285 -6.196 231 HG3 ARG 30 3HG ARG 30 0.222 20.781 -5.332 232 HD2 ARG 30 2HD ARG 30 -1.358 19.608 -6.791 233 HD3 ARG 30 3HD ARG 30 -1.677 21.113 -7.653 234 HE ARG 30 HE ARG 30 1.099 20.364 -7.614 235 HH11 ARG 30 1HH1 ARG 30 -1.949 19.990 -9.255 236 HH12 ARG 30 2HH1 ARG 30 -1.229 19.561 -10.771 237 HH21 ARG 30 1HH2 ARG 30 2.059 19.801 -9.605 238 HH22 ARG 30 2HH2 ARG 30 1.051 19.453 -10.969 239 H VAL 31 H VAL 31 -3.965 21.717 -7.846 240 HA VAL 31 HA VAL 31 -6.172 20.254 -6.611 241 HB VAL 31 HB VAL 31 -6.724 21.896 -8.350 242 HG11 VAL 31 1HG1 VAL 31 -5.717 20.248 -10.561 243 HG12 VAL 31 2HG1 VAL 31 -5.754 22.003 -10.375 244 HG13 VAL 31 3HG1 VAL 31 -4.472 21.061 -9.613 245 HG21 VAL 31 1HG2 VAL 31 -7.457 19.546 -9.867 246 HG22 VAL 31 2HG2 VAL 31 -7.660 19.286 -8.134 247 HG23 VAL 31 3HG2 VAL 31 -8.471 20.638 -8.924 248 H ILE 32 H ILE 32 -6.483 18.097 -6.799 249 HA ILE 32 HA ILE 32 -4.385 16.573 -8.195 250 HB ILE 32 HB ILE 32 -5.106 14.683 -6.654 251 HG12 ILE 32 2HG1 ILE 32 -6.351 16.978 -5.124 252 HG13 ILE 32 3HG1 ILE 32 -7.254 15.728 -5.972 253 HG21 ILE 32 1HG2 ILE 32 -3.206 15.227 -5.650 254 HG22 ILE 32 2HG2 ILE 32 -3.354 16.878 -6.251 255 HG23 ILE 32 3HG2 ILE 32 -4.053 16.441 -4.692 256 HD11 ILE 32 1HD1 ILE 32 -5.299 15.090 -3.790 257 HD12 ILE 32 2HD1 ILE 32 -6.995 15.462 -3.473 258 HD13 ILE 32 3HD1 ILE 32 -6.567 14.067 -4.465 259 H SER 33 H SER 33 -4.953 15.340 -9.862 260 HA SER 33 HA SER 33 -7.819 14.881 -10.335 261 HB2 SER 33 2HB SER 33 -6.102 14.268 -12.593 262 HB3 SER 33 3HB SER 33 -7.453 15.396 -12.490 263 HG SER 33 HG SER 33 -6.010 16.923 -11.595 264 H ILE 34 H ILE 34 -8.568 12.905 -10.007 265 HA ILE 34 HA ILE 34 -6.929 10.592 -10.687 266 HB ILE 34 HB ILE 34 -7.438 9.458 -8.555 267 HG12 ILE 34 2HG1 ILE 34 -9.388 11.183 -8.138 268 HG13 ILE 34 3HG1 ILE 34 -8.532 10.456 -6.783 269 HG21 ILE 34 1HG2 ILE 34 -5.881 12.030 -8.402 270 HG22 ILE 34 2HG2 ILE 34 -5.847 10.790 -7.150 271 HG23 ILE 34 3HG2 ILE 34 -5.270 10.419 -8.775 272 HD11 ILE 34 1HD1 ILE 34 -7.524 13.026 -7.876 273 HD12 ILE 34 2HD1 ILE 34 -8.987 13.035 -6.891 274 HD13 ILE 34 3HD1 ILE 34 -7.482 12.400 -6.228 275 H ALA 35 H ALA 35 -8.188 8.566 -10.677 276 HA ALA 35 HA ALA 35 -10.696 8.930 -11.964 277 HB1 ALA 35 1HB ALA 35 -10.104 6.236 -10.970 278 HB2 ALA 35 2HB ALA 35 -10.465 6.792 -12.604 279 HB3 ALA 35 3HB ALA 35 -8.832 6.954 -11.959 280 H GLU 36 H GLU 36 -12.766 8.311 -11.285 281 HA GLU 36 HA GLU 36 -13.437 8.942 -8.637 282 HB2 GLU 36 2HB GLU 36 -14.829 8.120 -11.049 283 HB3 GLU 36 3HB GLU 36 -15.554 7.412 -9.612 284 HG2 GLU 36 2HG GLU 36 -15.395 9.859 -8.699 285 HG3 GLU 36 3HG GLU 36 -15.327 10.269 -10.411 286 H GLU 37 H GLU 37 -12.430 5.983 -10.084 287 HA GLU 37 HA GLU 37 -13.120 4.530 -7.615 288 HB2 GLU 37 2HB GLU 37 -13.509 3.857 -10.385 289 HB3 GLU 37 3HB GLU 37 -12.450 2.674 -9.630 290 HG2 GLU 37 2HG GLU 37 -14.415 1.700 -9.123 291 HG3 GLU 37 3HG GLU 37 -14.334 2.801 -7.749 292 H ALA 38 H ALA 38 -10.654 6.111 -8.836 293 HA ALA 38 HA ALA 38 -8.573 4.110 -8.624 294 HB1 ALA 38 1HB ALA 38 -7.156 6.336 -8.774 295 HB2 ALA 38 2HB ALA 38 -7.931 5.635 -10.195 296 HB3 ALA 38 3HB ALA 38 -8.689 6.987 -9.355 297 HA PRO 39 HA PRO 39 -7.582 4.582 -4.374 298 HB2 PRO 39 2HB PRO 39 -4.882 4.309 -4.414 299 HB3 PRO 39 3HB PRO 39 -5.988 2.957 -4.683 300 HG2 PRO 39 2HG PRO 39 -4.499 4.613 -6.684 301 HG3 PRO 39 3HG PRO 39 -4.741 2.857 -6.643 302 HD2 PRO 39 2HD PRO 39 -6.202 4.492 -8.232 303 HD3 PRO 39 3HD PRO 39 -6.864 3.002 -7.530 304 H LEU 40 H LEU 40 -6.638 5.976 -2.814 305 HA LEU 40 HA LEU 40 -6.501 8.692 -3.587 306 HB2 LEU 40 2HB LEU 40 -7.274 8.082 -1.396 307 HB3 LEU 40 3HB LEU 40 -5.737 7.304 -1.024 308 HG LEU 40 HG LEU 40 -4.799 9.739 -1.416 309 HD11 LEU 40 1HD1 LEU 40 -7.276 10.657 -0.146 310 HD12 LEU 40 2HD1 LEU 40 -7.424 10.270 -1.860 311 HD13 LEU 40 3HD1 LEU 40 -6.235 11.457 -1.324 312 HD21 LEU 40 1HD2 LEU 40 -5.532 8.176 0.815 313 HD22 LEU 40 2HD2 LEU 40 -6.012 9.837 1.166 314 HD23 LEU 40 3HD2 LEU 40 -4.340 9.474 0.737 315 H THR 41 H THR 41 -4.098 6.214 -3.162 316 HA THR 41 HA THR 41 -1.787 7.654 -2.753 317 HB THR 41 HB THR 41 -1.794 5.404 -4.739 318 HG1 THR 41 HG1 THR 41 -1.886 3.975 -2.915 319 HG21 THR 41 1HG2 THR 41 0.133 4.953 -2.831 320 HG22 THR 41 2HG2 THR 41 0.111 6.713 -2.951 321 HG23 THR 41 3HG2 THR 41 0.398 5.734 -4.389 322 H ALA 42 H ALA 42 -3.703 7.377 -5.657 323 HA ALA 42 HA ALA 42 -1.844 8.260 -7.552 324 HB1 ALA 42 1HB ALA 42 -3.930 7.299 -8.247 325 HB2 ALA 42 2HB ALA 42 -4.838 8.598 -7.473 326 HB3 ALA 42 3HB ALA 42 -3.829 8.942 -8.879 327 H ALA 43 H ALA 43 -3.942 10.052 -5.355 328 HA ALA 43 HA ALA 43 -3.284 12.616 -6.459 329 HB1 ALA 43 1HB ALA 43 -4.815 11.670 -4.076 330 HB2 ALA 43 2HB ALA 43 -4.344 13.366 -4.200 331 HB3 ALA 43 3HB ALA 43 -5.355 12.638 -5.448 332 H LEU 44 H LEU 44 -1.982 10.546 -3.985 333 HA LEU 44 HA LEU 44 -0.590 12.304 -2.385 334 HB2 LEU 44 2HB LEU 44 -0.785 9.720 -2.324 335 HB3 LEU 44 3HB LEU 44 0.676 9.754 -3.309 336 HG LEU 44 HG LEU 44 1.595 11.251 -1.369 337 HD11 LEU 44 1HD1 LEU 44 0.484 11.319 0.568 338 HD12 LEU 44 2HD1 LEU 44 0.014 9.622 0.467 339 HD13 LEU 44 3HD1 LEU 44 -0.925 10.849 -0.383 340 HD21 LEU 44 1HD2 LEU 44 1.301 8.391 -0.602 341 HD22 LEU 44 2HD2 LEU 44 2.736 9.418 -0.617 342 HD23 LEU 44 3HD2 LEU 44 2.093 8.777 -2.130 343 H ARG 45 H ARG 45 0.073 11.333 -5.661 344 HA ARG 45 HA ARG 45 2.747 11.950 -5.940 345 HB2 ARG 45 2HB ARG 45 0.516 11.538 -7.673 346 HB3 ARG 45 3HB ARG 45 1.403 12.947 -8.240 347 HG2 ARG 45 2HG ARG 45 3.481 11.387 -7.936 348 HG3 ARG 45 3HG ARG 45 2.272 10.107 -8.053 349 HD2 ARG 45 2HD ARG 45 1.563 10.888 -10.204 350 HD3 ARG 45 3HD ARG 45 2.573 12.326 -10.068 351 HE ARG 45 HE ARG 45 3.395 9.719 -10.905 352 HH11 ARG 45 1HH1 ARG 45 4.454 12.651 -9.358 353 HH12 ARG 45 2HH1 ARG 45 6.119 12.431 -9.786 354 HH21 ARG 45 1HH2 ARG 45 5.583 9.416 -11.475 355 HH22 ARG 45 2HH2 ARG 45 6.759 10.591 -10.991 356 H PHE 46 H PHE 46 0.012 14.173 -6.499 357 HA PHE 46 HA PHE 46 1.815 16.444 -6.519 358 HB2 PHE 46 2HB PHE 46 -1.202 16.433 -6.704 359 HB3 PHE 46 3HB PHE 46 -0.121 17.757 -7.126 360 HD1 PHE 46 HD1 PHE 46 1.908 16.625 -8.755 361 HD2 PHE 46 HD2 PHE 46 -2.224 15.619 -8.585 362 HE1 PHE 46 HE1 PHE 46 2.017 15.799 -11.070 363 HE2 PHE 46 HE2 PHE 46 -2.122 14.790 -10.899 364 HZ PHE 46 HZ PHE 46 0.001 14.878 -12.145 365 H ALA 47 H ALA 47 -0.532 14.953 -4.401 366 HA ALA 47 HA ALA 47 -0.919 17.057 -2.590 367 HB1 ALA 47 1HB ALA 47 -1.176 14.892 -0.998 368 HB2 ALA 47 2HB ALA 47 -2.426 15.455 -2.108 369 HB3 ALA 47 3HB ALA 47 -1.347 14.146 -2.587 370 H ALA 48 H ALA 48 1.657 14.704 -2.907 371 HA ALA 48 HA ALA 48 2.863 14.972 -0.402 372 HB1 ALA 48 1HB ALA 48 4.139 14.408 -3.076 373 HB2 ALA 48 2HB ALA 48 4.917 14.177 -1.509 374 HB3 ALA 48 3HB ALA 48 3.501 13.218 -1.940 375 H GLU 49 H GLU 49 2.849 17.089 -3.155 376 HA GLU 49 HA GLU 49 5.101 18.657 -2.276 377 HB2 GLU 49 2HB GLU 49 3.015 19.302 -4.367 378 HB3 GLU 49 3HB GLU 49 4.550 20.129 -4.141 379 HG2 GLU 49 2HG GLU 49 4.027 17.391 -5.219 380 HG3 GLU 49 3HG GLU 49 4.938 18.718 -5.939 381 H GLU 50 H GLU 50 1.595 18.848 -2.097 382 HA GLU 50 HA GLU 50 1.334 21.487 -1.218 383 HB2 GLU 50 2HB GLU 50 -0.334 19.131 -1.379 384 HB3 GLU 50 3HB GLU 50 -0.650 20.013 0.109 385 HG2 GLU 50 2HG GLU 50 -0.472 21.707 -2.266 386 HG3 GLU 50 3HG GLU 50 -1.789 20.536 -2.305 387 H PHE 51 H PHE 51 1.834 18.496 0.616 388 HA PHE 51 HA PHE 51 2.051 20.024 3.095 389 HB2 PHE 51 2HB PHE 51 1.182 17.397 2.442 390 HB3 PHE 51 3HB PHE 51 2.591 17.246 3.487 391 HD1 PHE 51 HD1 PHE 51 -0.906 18.041 3.296 392 HD2 PHE 51 HD2 PHE 51 2.577 18.387 5.718 393 HE1 PHE 51 HE1 PHE 51 -2.319 18.503 5.257 394 HE2 PHE 51 HE2 PHE 51 1.170 18.848 7.682 395 HZ PHE 51 HZ PHE 51 -1.281 18.905 7.454 396 H GLY 52 H GLY 52 4.018 18.536 0.703 397 HA2 GLY 52 2HA GLY 52 6.306 18.572 0.434 398 HA3 GLY 52 3HA GLY 52 6.408 19.554 1.888 399 H ILE 53 H ILE 53 4.669 16.742 2.466 400 HA ILE 53 HA ILE 53 7.064 15.257 3.296 401 HB ILE 53 HB ILE 53 5.747 14.584 5.377 402 HG12 ILE 53 2HG1 ILE 53 4.225 17.089 4.622 403 HG13 ILE 53 3HG1 ILE 53 3.568 15.457 4.675 404 HG21 ILE 53 1HG2 ILE 53 6.590 16.443 6.644 405 HG22 ILE 53 2HG2 ILE 53 7.723 16.083 5.342 406 HG23 ILE 53 3HG2 ILE 53 6.630 17.460 5.204 407 HD11 ILE 53 1HD1 ILE 53 4.436 15.602 7.174 408 HD12 ILE 53 2HD1 ILE 53 4.198 17.324 6.878 409 HD13 ILE 53 3HD1 ILE 53 2.851 16.202 6.686 410 H ALA 54 H ALA 54 3.586 15.199 2.672 411 HA ALA 54 HA ALA 54 2.221 13.599 1.801 412 HB1 ALA 54 1HB ALA 54 3.110 12.724 -0.032 413 HB2 ALA 54 2HB ALA 54 4.703 13.235 0.526 414 HB3 ALA 54 3HB ALA 54 4.101 11.628 0.932 415 H SER 55 H SER 55 3.356 13.423 4.567 416 HA SER 55 HA SER 55 2.926 10.543 5.019 417 HB2 SER 55 2HB SER 55 4.740 12.524 6.330 418 HB3 SER 55 3HB SER 55 4.092 11.204 7.304 419 HG SER 55 HG SER 55 5.246 9.796 6.197 420 H VAL 56 H VAL 56 2.811 13.396 7.138 421 HA VAL 56 HA VAL 56 0.601 12.444 8.617 422 HB VAL 56 HB VAL 56 1.580 15.294 8.392 423 HG11 VAL 56 1HG1 VAL 56 -0.459 13.951 10.030 424 HG12 VAL 56 2HG1 VAL 56 0.647 15.002 10.917 425 HG13 VAL 56 3HG1 VAL 56 -0.301 15.648 9.576 426 HG21 VAL 56 1HG2 VAL 56 2.700 12.925 9.692 427 HG22 VAL 56 2HG2 VAL 56 3.463 14.462 9.282 428 HG23 VAL 56 3HG2 VAL 56 2.520 14.313 10.765 429 H ASP 57 H ASP 57 0.818 14.037 5.604 430 HA ASP 57 HA ASP 57 -1.623 15.441 5.573 431 HB2 ASP 57 2HB ASP 57 0.210 15.730 3.907 432 HB3 ASP 57 3HB ASP 57 -0.211 14.161 3.224 433 H SER 58 H SER 58 -0.953 12.108 5.551 434 HA SER 58 HA SER 58 -3.065 11.094 4.019 435 HB2 SER 58 2HB SER 58 -2.559 9.014 4.940 436 HB3 SER 58 3HB SER 58 -1.039 9.884 5.143 437 HG SER 58 HG SER 58 -1.341 9.170 7.131 438 H MET 59 H MET 59 -3.015 12.538 7.158 439 HA MET 59 HA MET 59 -5.901 12.450 7.276 440 HB2 MET 59 2HB MET 59 -5.889 11.553 9.625 441 HB3 MET 59 3HB MET 59 -5.484 10.377 8.382 442 HG2 MET 59 2HG MET 59 -3.545 9.943 9.346 443 HG3 MET 59 3HG MET 59 -3.100 11.647 9.324 444 HE1 MET 59 1HE MET 59 -2.628 9.105 11.670 445 HE2 MET 59 2HE MET 59 -3.885 9.157 12.906 446 HE3 MET 59 3HE MET 59 -4.282 8.645 11.266 447 H ALA 60 H ALA 60 -5.093 14.729 6.885 448 HA ALA 60 HA ALA 60 -5.066 16.117 9.443 449 HB1 ALA 60 1HB ALA 60 -2.952 16.782 9.389 450 HB2 ALA 60 2HB ALA 60 -2.690 15.762 7.974 451 HB3 ALA 60 3HB ALA 60 -3.169 17.447 7.770 452 H ALA 61 H ALA 61 -7.262 16.443 8.504 453 HA ALA 61 HA ALA 61 -7.418 19.034 7.307 454 HB1 ALA 61 1HB ALA 61 -7.094 18.001 5.232 455 HB2 ALA 61 2HB ALA 61 -8.108 16.622 5.660 456 HB3 ALA 61 3HB ALA 61 -8.842 18.197 5.358 457 H THR 62 H THR 62 -9.557 19.894 7.312 458 HA THR 62 HA THR 62 -11.582 18.257 8.669 459 HB THR 62 HB THR 62 -12.053 20.712 9.771 460 HG1 THR 62 HG1 THR 62 -10.198 21.723 10.178 461 HG21 THR 62 1HG2 THR 62 -12.082 19.342 11.527 462 HG22 THR 62 2HG2 THR 62 -10.318 19.362 11.552 463 HG23 THR 62 3HG2 THR 62 -11.173 18.131 10.623 464 H THR 63 H THR 63 -13.764 19.097 8.473 465 HA THR 63 HA THR 63 -14.176 20.329 5.872 466 HB THR 63 HB THR 63 -16.567 19.781 6.231 467 HG1 THR 63 HG1 THR 63 -17.206 18.761 8.089 468 HG21 THR 63 1HG2 THR 63 -16.017 17.180 6.620 469 HG22 THR 63 2HG2 THR 63 -14.392 17.777 6.285 470 HG23 THR 63 3HG2 THR 63 -15.681 18.020 5.107 471 H LYS 64 H LYS 64 -15.878 21.998 5.626 472 HA LYS 64 HA LYS 64 -15.303 24.281 7.131 473 HB2 LYS 64 2HB LYS 64 -17.265 25.286 6.002 474 HB3 LYS 64 3HB LYS 64 -16.196 24.446 4.886 475 HG2 LYS 64 2HG LYS 64 -18.388 22.823 5.977 476 HG3 LYS 64 3HG LYS 64 -18.878 24.162 4.937 477 HD2 LYS 64 2HD LYS 64 -18.334 22.960 3.149 478 HD3 LYS 64 3HD LYS 64 -16.662 22.889 3.711 479 HE2 LYS 64 2HE LYS 64 -16.995 20.675 3.796 480 HE3 LYS 64 3HE LYS 64 -17.865 21.019 5.291 481 HZ1 LYS 64 1HZ LYS 64 -18.862 19.926 2.909 482 HZ2 LYS 64 2HZ LYS 64 -19.629 21.411 3.165 483 HZ3 LYS 64 3HZ LYS 64 -19.686 20.214 4.358 484 H ASP 65 H ASP 65 -17.549 21.715 7.683 485 HA ASP 65 HA ASP 65 -19.094 23.216 9.629 486 HB2 ASP 65 2HB ASP 65 -19.208 20.347 8.691 487 HB3 ASP 65 3HB ASP 65 -20.242 20.986 9.967 488 H GLY 66 H GLY 66 -16.350 21.134 9.545 489 HA2 GLY 66 2HA GLY 66 -15.248 21.605 11.921 490 HA3 GLY 66 3HA GLY 66 -16.522 20.486 12.381 491 H THR 67 H THR 67 -16.009 18.405 12.410 492 HA THR 67 HA THR 67 -13.456 17.448 11.822 493 HB THR 67 HB THR 67 -14.581 15.148 11.879 494 HG1 THR 67 HG1 THR 67 -16.679 15.718 11.316 495 HG21 THR 67 1HG2 THR 67 -13.882 16.938 13.892 496 HG22 THR 67 2HG2 THR 67 -14.145 15.203 14.070 497 HG23 THR 67 3HG2 THR 67 -15.467 16.331 14.371 498 H GLY 68 H GLY 68 -12.496 16.668 10.036 499 HA2 GLY 68 2HA GLY 68 -14.172 16.033 7.703 500 HA3 GLY 68 3HA GLY 68 -12.856 17.185 7.530 501 H ILE 69 H ILE 69 -12.874 14.214 9.446 502 HA ILE 69 HA ILE 69 -10.409 13.375 8.212 503 HB ILE 69 HB ILE 69 -12.134 11.977 10.259 504 HG12 ILE 69 2HG1 ILE 69 -9.502 13.362 10.733 505 HG13 ILE 69 3HG1 ILE 69 -11.030 14.229 10.833 506 HG21 ILE 69 1HG2 ILE 69 -10.909 10.200 9.624 507 HG22 ILE 69 2HG2 ILE 69 -9.685 11.194 8.837 508 HG23 ILE 69 3HG2 ILE 69 -9.646 10.967 10.586 509 HD11 ILE 69 1HD1 ILE 69 -9.753 12.608 12.791 510 HD12 ILE 69 2HD1 ILE 69 -11.226 13.569 12.929 511 HD13 ILE 69 3HD1 ILE 69 -11.313 11.896 12.380 512 H ASN 70 H ASN 70 -10.094 11.752 6.774 513 HA ASN 70 HA ASN 70 -12.510 10.526 5.630 514 HB2 ASN 70 2HB ASN 70 -10.687 10.030 3.740 515 HB3 ASN 70 3HB ASN 70 -11.573 11.551 3.813 516 HD21 ASN 70 1HD2 ASN 70 -8.811 10.254 5.622 517 HD22 ASN 70 2HD2 ASN 70 -7.754 11.581 5.291 518 HA PRO 71 HA PRO 71 -11.058 6.717 7.415 519 HB2 PRO 71 2HB PRO 71 -13.009 5.149 6.362 520 HB3 PRO 71 3HB PRO 71 -13.275 6.212 7.749 521 HG2 PRO 71 2HG PRO 71 -13.946 6.656 4.865 522 HG3 PRO 71 3HG PRO 71 -14.917 7.008 6.307 523 HD2 PRO 71 2HD PRO 71 -13.521 8.918 4.988 524 HD3 PRO 71 3HD PRO 71 -13.787 8.969 6.743 525 H ALA 72 H ALA 72 -12.203 6.704 4.033 526 HA ALA 72 HA ALA 72 -10.064 4.796 3.380 527 HB1 ALA 72 1HB ALA 72 -11.334 4.095 1.525 528 HB2 ALA 72 2HB ALA 72 -12.484 4.253 2.853 529 HB3 ALA 72 3HB ALA 72 -12.390 5.505 1.614 530 H GLN 73 H GLN 73 -11.262 7.996 2.745 531 HA GLN 73 HA GLN 73 -10.386 9.769 1.620 532 HB2 GLN 73 2HB GLN 73 -7.813 8.314 1.174 533 HB3 GLN 73 3HB GLN 73 -8.084 10.009 1.560 534 HG2 GLN 73 2HG GLN 73 -8.917 9.114 3.835 535 HG3 GLN 73 3HG GLN 73 -8.065 7.640 3.379 536 HE21 GLN 73 1HE2 GLN 73 -6.255 7.583 4.507 537 HE22 GLN 73 2HE2 GLN 73 -5.129 8.882 4.682 538 H THR 74 H THR 74 -11.495 7.284 0.241 539 HA THR 74 HA THR 74 -10.200 7.237 -2.325 540 HB THR 74 HB THR 74 -12.972 6.186 -1.918 541 HG1 THR 74 HG1 THR 74 -12.194 4.436 -0.801 542 HG21 THR 74 1HG2 THR 74 -10.633 5.650 -3.653 543 HG22 THR 74 2HG2 THR 74 -12.356 5.604 -4.027 544 HG23 THR 74 3HG2 THR 74 -11.602 4.256 -3.176 545 H ALA 75 H ALA 75 -11.382 7.702 -4.345 546 HA ALA 75 HA ALA 75 -12.297 10.355 -4.420 547 HB1 ALA 75 1HB ALA 75 -12.239 8.116 -6.395 548 HB2 ALA 75 2HB ALA 75 -13.101 9.605 -6.782 549 HB3 ALA 75 3HB ALA 75 -11.377 9.655 -6.415 550 H GLY 76 H GLY 76 -14.065 7.277 -4.599 551 HA2 GLY 76 2HA GLY 76 -16.624 8.434 -4.964 552 HA3 GLY 76 3HA GLY 76 -16.303 6.800 -4.403 553 H ASN 77 H ASN 77 -14.821 7.502 -2.074 554 HA ASN 77 HA ASN 77 -16.990 7.954 -0.278 555 HB2 ASN 77 2HB ASN 77 -14.506 6.759 -0.092 556 HB3 ASN 77 3HB ASN 77 -14.316 8.217 0.878 557 HD21 ASN 77 1HD2 ASN 77 -14.760 7.952 2.930 558 HD22 ASN 77 2HD2 ASN 77 -15.902 6.840 3.596 559 H VAL 78 H VAL 78 -13.964 9.765 -0.829 560 HA VAL 78 HA VAL 78 -14.561 11.972 0.746 561 HB VAL 78 HB VAL 78 -12.941 11.927 -1.805 562 HG11 VAL 78 1HG1 VAL 78 -11.931 13.819 0.001 563 HG12 VAL 78 2HG1 VAL 78 -12.738 14.124 -1.539 564 HG13 VAL 78 3HG1 VAL 78 -13.675 14.074 -0.044 565 HG21 VAL 78 1HG2 VAL 78 -11.897 11.771 1.008 566 HG22 VAL 78 2HG2 VAL 78 -12.307 10.329 0.079 567 HG23 VAL 78 3HG2 VAL 78 -11.051 11.424 -0.499 568 H PHE 79 H PHE 79 -15.490 11.243 -2.564 569 HA PHE 79 HA PHE 79 -16.381 13.705 -3.435 570 HB2 PHE 79 2HB PHE 79 -16.347 11.865 -4.962 571 HB3 PHE 79 3HB PHE 79 -17.470 10.941 -3.970 572 HD1 PHE 79 HD1 PHE 79 -17.478 14.410 -5.350 573 HD2 PHE 79 HD2 PHE 79 -19.480 10.667 -5.031 574 HE1 PHE 79 HE1 PHE 79 -19.361 15.310 -6.654 575 HE2 PHE 79 HE2 PHE 79 -21.365 11.561 -6.335 576 HZ PHE 79 HZ PHE 79 -21.307 13.884 -7.149 577 H MET 80 H MET 80 -18.086 11.321 -1.449 578 HA MET 80 HA MET 80 -20.354 13.138 -1.162 579 HB2 MET 80 2HB MET 80 -20.630 10.651 -1.589 580 HB3 MET 80 3HB MET 80 -20.048 10.393 0.050 581 HG2 MET 80 2HG MET 80 -21.966 12.102 0.632 582 HG3 MET 80 3HG MET 80 -22.623 11.521 -0.897 583 HE1 MET 80 1HE MET 80 -24.441 8.633 -0.193 584 HE2 MET 80 2HE MET 80 -24.975 10.071 0.677 585 HE3 MET 80 3HE MET 80 -24.241 10.228 -0.920 586 H LYS 81 H LYS 81 -17.500 12.233 0.463 587 HA LYS 81 HA LYS 81 -18.346 12.714 3.140 588 HB2 LYS 81 2HB LYS 81 -16.112 11.631 1.991 589 HB3 LYS 81 3HB LYS 81 -15.510 13.193 2.529 590 HG2 LYS 81 2HG LYS 81 -15.226 12.303 4.535 591 HG3 LYS 81 3HG LYS 81 -16.983 12.214 4.680 592 HD2 LYS 81 2HD LYS 81 -15.369 10.064 3.332 593 HD3 LYS 81 3HD LYS 81 -15.680 10.060 5.069 594 HE2 LYS 81 2HE LYS 81 -18.078 10.510 3.475 595 HE3 LYS 81 3HE LYS 81 -17.300 8.967 3.129 596 HZ1 LYS 81 1HZ LYS 81 -17.722 9.764 5.925 597 HZ2 LYS 81 2HZ LYS 81 -17.640 8.214 5.252 598 HZ3 LYS 81 3HZ LYS 81 -19.028 9.156 5.038 599 H TYR 82 H TYR 82 -16.327 14.646 0.921 600 HA TYR 82 HA TYR 82 -17.187 17.047 2.399 601 HB2 TYR 82 2HB TYR 82 -14.648 17.007 0.817 602 HB3 TYR 82 3HB TYR 82 -15.074 17.981 2.220 603 HD1 TYR 82 HD1 TYR 82 -12.844 15.647 1.257 604 HD2 TYR 82 HD2 TYR 82 -15.774 16.197 4.292 605 HE1 TYR 82 HE1 TYR 82 -11.627 14.077 2.708 606 HE2 TYR 82 HE2 TYR 82 -14.565 14.630 5.752 607 HH TYR 82 HH TYR 82 -12.907 12.629 5.329 608 H GLY 83 H GLY 83 -16.740 15.521 -0.693 609 HA2 GLY 83 2HA GLY 83 -17.297 16.159 -2.831 610 HA3 GLY 83 3HA GLY 83 -18.622 17.011 -2.051 611 H GLN 84 H GLN 84 -15.119 17.386 -2.598 612 HA GLN 84 HA GLN 84 -13.849 19.228 -3.035 613 HB2 GLN 84 2HB GLN 84 -15.385 18.944 -5.105 614 HB3 GLN 84 3HB GLN 84 -16.214 20.369 -4.492 615 HG2 GLN 84 2HG GLN 84 -13.881 21.449 -4.454 616 HG3 GLN 84 3HG GLN 84 -13.413 20.114 -5.507 617 HE21 GLN 84 1HE2 GLN 84 -13.584 20.477 -7.592 618 HE22 GLN 84 2HE2 GLN 84 -14.623 21.634 -8.346 619 H GLU 85 H GLU 85 -14.369 19.588 -0.609 620 HA GLU 85 HA GLU 85 -14.636 22.355 -0.191 621 HB2 GLU 85 2HB GLU 85 -17.077 21.487 -0.598 622 HB3 GLU 85 3HB GLU 85 -16.942 20.909 1.056 623 HG2 GLU 85 2HG GLU 85 -17.974 23.018 1.175 624 HG3 GLU 85 3HG GLU 85 -16.311 23.254 1.708 625 H ILE 86 H ILE 86 -12.612 21.119 0.650 626 HA ILE 86 HA ILE 86 -12.971 20.842 3.536 627 HB ILE 86 HB ILE 86 -13.020 18.544 2.630 628 HG12 ILE 86 2HG1 ILE 86 -10.481 19.173 4.151 629 HG13 ILE 86 3HG1 ILE 86 -12.080 19.032 4.874 630 HG21 ILE 86 1HG2 ILE 86 -10.151 18.841 1.839 631 HG22 ILE 86 2HG2 ILE 86 -11.318 17.606 1.369 632 HG23 ILE 86 3HG2 ILE 86 -11.437 19.233 0.699 633 HD11 ILE 86 1HD1 ILE 86 -10.572 17.027 5.079 634 HD12 ILE 86 2HD1 ILE 86 -12.182 16.723 4.425 635 HD13 ILE 86 3HD1 ILE 86 -10.790 16.796 3.345 636 H ARG 87 H ARG 87 -11.128 21.328 4.761 637 HA ARG 87 HA ARG 87 -9.001 22.684 3.243 638 HB2 ARG 87 2HB ARG 87 -8.721 24.186 5.060 639 HB3 ARG 87 3HB ARG 87 -10.454 24.067 4.783 640 HG2 ARG 87 2HG ARG 87 -10.642 23.686 6.962 641 HG3 ARG 87 3HG ARG 87 -9.962 22.089 6.642 642 HD2 ARG 87 2HD ARG 87 -8.680 23.047 8.395 643 HD3 ARG 87 3HD ARG 87 -7.687 23.111 6.939 644 HE ARG 87 HE ARG 87 -7.671 25.381 7.129 645 HH11 ARG 87 1HH1 ARG 87 -10.408 24.145 8.890 646 HH12 ARG 87 2HH1 ARG 87 -10.865 25.691 9.523 647 HH21 ARG 87 1HH2 ARG 87 -8.263 27.423 7.955 648 HH22 ARG 87 2HH2 ARG 87 -9.644 27.556 8.989 649 H LEU 88 H LEU 88 -6.847 22.376 3.814 650 HA LEU 88 HA LEU 88 -6.350 19.981 5.449 651 HB2 LEU 88 2HB LEU 88 -5.128 21.076 2.986 652 HB3 LEU 88 3HB LEU 88 -4.041 20.294 4.131 653 HG LEU 88 HG LEU 88 -5.362 18.235 3.971 654 HD11 LEU 88 1HD1 LEU 88 -7.046 19.921 2.156 655 HD12 LEU 88 2HD1 LEU 88 -7.543 18.896 3.501 656 HD13 LEU 88 3HD1 LEU 88 -6.997 18.166 1.991 657 HD21 LEU 88 1HD2 LEU 88 -3.446 18.642 2.463 658 HD22 LEU 88 2HD2 LEU 88 -4.562 19.290 1.261 659 HD23 LEU 88 3HD2 LEU 88 -4.675 17.598 1.747 660 H ILE 89 H ILE 89 -5.164 20.130 7.247 661 HA ILE 89 HA ILE 89 -3.421 22.452 7.635 662 HB ILE 89 HB ILE 89 -4.270 22.591 10.028 663 HG12 ILE 89 2HG1 ILE 89 -6.841 21.464 8.999 664 HG13 ILE 89 3HG1 ILE 89 -5.604 20.356 9.582 665 HG21 ILE 89 1HG2 ILE 89 -6.410 23.847 9.208 666 HG22 ILE 89 2HG2 ILE 89 -4.808 24.431 8.758 667 HG23 ILE 89 3HG2 ILE 89 -5.760 23.493 7.607 668 HD11 ILE 89 1HD1 ILE 89 -6.739 20.663 11.510 669 HD12 ILE 89 2HD1 ILE 89 -5.637 22.034 11.639 670 HD13 ILE 89 3HD1 ILE 89 -7.286 22.279 11.064 671 HA PRO 90 HA PRO 90 -0.618 19.565 9.390 672 HB2 PRO 90 2HB PRO 90 0.673 21.117 11.206 673 HB3 PRO 90 3HB PRO 90 0.914 21.276 9.462 674 HG2 PRO 90 2HG PRO 90 -0.800 22.909 11.294 675 HG3 PRO 90 3HG PRO 90 0.263 23.447 9.981 676 HD2 PRO 90 2HD PRO 90 -2.420 23.234 9.687 677 HD3 PRO 90 3HD PRO 90 -1.287 22.947 8.350 678 H ARG 91 H ARG 91 -2.507 18.403 10.370 679 HA ARG 91 HA ARG 91 -2.697 18.805 13.274 680 HB2 ARG 91 2HB ARG 91 -4.606 18.104 11.232 681 HB3 ARG 91 3HB ARG 91 -4.553 16.851 12.464 682 HG2 ARG 91 2HG ARG 91 -4.666 19.630 13.442 683 HG3 ARG 91 3HG ARG 91 -6.108 19.023 12.624 684 HD2 ARG 91 2HD ARG 91 -5.122 17.029 14.422 685 HD3 ARG 91 3HD ARG 91 -5.284 18.560 15.281 686 HE ARG 91 HE ARG 91 -7.622 18.309 13.902 687 HH11 ARG 91 1HH1 ARG 91 -5.892 16.328 16.183 688 HH12 ARG 91 2HH1 ARG 91 -7.323 15.601 16.835 689 HH21 ARG 91 1HH2 ARG 91 -9.514 17.359 14.752 690 HH22 ARG 91 2HH2 ARG 91 -9.382 16.187 16.020 691 H ASP 92 H ASP 92 -2.573 16.992 14.687 692 HA ASP 92 HA ASP 92 -1.658 15.073 15.497 693 HB2 ASP 92 2HB ASP 92 -3.100 14.261 13.370 694 HB3 ASP 92 3HB ASP 92 -1.497 13.755 12.846 695 H ARG 93 H ARG 93 -0.003 17.235 14.306 696 HA ARG 93 HA ARG 93 2.467 15.669 13.998 697 HB2 ARG 93 2HB ARG 93 1.805 16.505 11.792 698 HB3 ARG 93 3HB ARG 93 1.721 18.142 12.427 699 HG2 ARG 93 2HG ARG 93 3.803 18.330 11.646 700 HG3 ARG 93 3HG ARG 93 4.260 17.433 13.095 701 HD2 ARG 93 2HD ARG 93 4.065 15.332 11.816 702 HD3 ARG 93 3HD ARG 93 3.690 16.270 10.371 703 HE ARG 93 HE ARG 93 6.046 17.311 11.141 704 HH11 ARG 93 1HH1 ARG 93 4.967 14.035 10.674 705 HH12 ARG 93 2HH1 ARG 93 6.531 13.447 10.217 706 HH21 ARG 93 1HH2 ARG 93 8.110 16.550 10.540 707 HH22 ARG 93 2HH2 ARG 93 8.318 14.878 10.141 708 H VAL 94 H VAL 94 1.357 19.039 14.403 709 HA VAL 94 HA VAL 94 3.630 19.612 16.114 710 HB VAL 94 HB VAL 94 1.345 21.391 15.252 711 HG11 VAL 94 1HG1 VAL 94 3.444 21.735 17.213 712 HG12 VAL 94 2HG1 VAL 94 3.529 22.959 15.944 713 HG13 VAL 94 3HG1 VAL 94 2.043 22.750 16.872 714 HG21 VAL 94 1HG2 VAL 94 3.999 20.745 14.084 715 HG22 VAL 94 2HG2 VAL 94 2.468 21.102 13.285 716 HG23 VAL 94 3HG2 VAL 94 3.429 22.410 13.972 717 H GLY 95 H GLY 95 0.094 20.036 16.424 718 HA2 GLY 95 2HA GLY 95 0.268 20.291 19.280 719 HA3 GLY 95 3HA GLY 95 -1.206 20.216 18.327 Start of MODEL 19 1 H1 MET 1 H MET 1 7.829 1.397 3.118 2 HA MET 1 HA MET 1 6.377 3.630 2.229 3 HB2 MET 1 2HB MET 1 8.241 3.350 4.080 4 HB3 MET 1 3HB MET 1 9.306 3.849 2.773 5 HG2 MET 1 2HG MET 1 8.838 5.939 3.325 6 HG3 MET 1 3HG MET 1 7.223 5.667 2.675 7 HE1 MET 1 1HE MET 1 8.780 6.980 6.231 8 HE2 MET 1 2HE MET 1 8.416 7.622 4.629 9 HE3 MET 1 3HE MET 1 7.249 7.807 5.940 10 H SER 2 H SER 2 7.003 1.785 0.072 11 HA SER 2 HA SER 2 7.903 3.724 -1.861 12 HB2 SER 2 2HB SER 2 9.649 2.127 -2.794 13 HB3 SER 2 3HB SER 2 10.075 2.932 -1.284 14 HG SER 2 HG SER 2 10.318 1.017 -0.483 15 H GLN 3 H GLN 3 5.461 2.363 -1.402 16 HA GLN 3 HA GLN 3 5.326 0.572 -3.736 17 HB2 GLN 3 2HB GLN 3 4.084 0.480 -1.077 18 HB3 GLN 3 3HB GLN 3 2.967 0.177 -2.401 19 HG2 GLN 3 2HG GLN 3 4.489 -1.583 -3.230 20 HG3 GLN 3 3HG GLN 3 5.511 -1.319 -1.818 21 HE21 GLN 3 1HE2 GLN 3 2.309 -2.311 -2.867 22 HE22 GLN 3 2HE2 GLN 3 1.948 -3.273 -1.478 23 H ASN 4 H ASN 4 5.005 2.142 -5.300 24 HA ASN 4 HA ASN 4 2.504 3.684 -5.065 25 HB2 ASN 4 2HB ASN 4 5.190 4.398 -6.070 26 HB3 ASN 4 3HB ASN 4 3.842 4.955 -7.058 27 HD21 ASN 4 1HD2 ASN 4 5.289 5.063 -3.873 28 HD22 ASN 4 2HD2 ASN 4 4.521 6.524 -3.365 29 H GLU 5 H GLU 5 0.927 3.168 -6.427 30 HA GLU 5 HA GLU 5 1.563 1.439 -8.711 31 HB2 GLU 5 2HB GLU 5 -0.845 0.883 -8.703 32 HB3 GLU 5 3HB GLU 5 -0.063 0.510 -7.174 33 HG2 GLU 5 2HG GLU 5 -1.254 3.183 -7.316 34 HG3 GLU 5 3HG GLU 5 -2.402 1.851 -7.437 35 H GLU 6 H GLU 6 0.110 1.746 -10.655 36 HA GLU 6 HA GLU 6 -0.308 4.620 -11.159 37 HB2 GLU 6 2HB GLU 6 1.155 2.570 -12.713 38 HB3 GLU 6 3HB GLU 6 0.146 3.667 -13.645 39 HG2 GLU 6 2HG GLU 6 1.318 5.559 -12.467 40 HG3 GLU 6 3HG GLU 6 2.448 4.357 -11.845 41 H ALA 7 H ALA 7 -2.520 4.279 -10.519 42 HA ALA 7 HA ALA 7 -4.250 2.436 -11.748 43 HB1 ALA 7 1HB ALA 7 -4.457 4.546 -9.850 44 HB2 ALA 7 2HB ALA 7 -5.733 4.741 -11.052 45 HB3 ALA 7 3HB ALA 7 -5.584 3.225 -10.163 46 HA PRO 8 HA PRO 8 -5.176 4.107 -15.698 47 HB2 PRO 8 2HB PRO 8 -7.848 3.673 -15.904 48 HB3 PRO 8 3HB PRO 8 -6.654 2.371 -15.980 49 HG2 PRO 8 2HG PRO 8 -8.343 3.261 -13.674 50 HG3 PRO 8 3HG PRO 8 -7.968 1.615 -14.216 51 HD2 PRO 8 2HD PRO 8 -6.700 2.785 -12.130 52 HD3 PRO 8 3HD PRO 8 -5.899 1.616 -13.199 53 H ALA 9 H ALA 9 -5.980 5.911 -16.777 54 HA ALA 9 HA ALA 9 -7.443 7.863 -15.125 55 HB1 ALA 9 1HB ALA 9 -5.965 9.518 -15.533 56 HB2 ALA 9 2HB ALA 9 -4.847 8.172 -15.753 57 HB3 ALA 9 3HB ALA 9 -5.595 8.936 -17.156 58 H ARG 10 H ARG 10 -6.626 6.824 -18.414 59 HA ARG 10 HA ARG 10 -8.673 8.438 -19.621 60 HB2 ARG 10 2HB ARG 10 -8.051 7.309 -21.698 61 HB3 ARG 10 3HB ARG 10 -6.623 7.873 -20.841 62 HG2 ARG 10 2HG ARG 10 -6.900 5.328 -19.885 63 HG3 ARG 10 3HG ARG 10 -7.435 5.167 -21.559 64 HD2 ARG 10 2HD ARG 10 -5.058 4.762 -21.422 65 HD3 ARG 10 3HD ARG 10 -5.355 6.263 -22.299 66 HE ARG 10 HE ARG 10 -4.942 6.820 -19.567 67 HH11 ARG 10 1HH1 ARG 10 -3.222 5.807 -22.418 68 HH12 ARG 10 2HH1 ARG 10 -1.710 6.480 -21.904 69 HH21 ARG 10 1HH2 ARG 10 -2.958 7.710 -18.879 70 HH22 ARG 10 2HH2 ARG 10 -1.561 7.561 -19.890 71 H SER 11 H SER 11 -8.409 5.190 -18.401 72 HA SER 11 HA SER 11 -10.960 4.414 -19.587 73 HB2 SER 11 2HB SER 11 -8.618 3.011 -18.723 74 HB3 SER 11 3HB SER 11 -10.006 2.406 -17.818 75 HG SER 11 HG SER 11 -9.700 2.541 -20.634 76 H GLY 12 H GLY 12 -12.743 3.709 -18.337 77 HA2 GLY 12 2HA GLY 12 -14.182 3.703 -16.539 78 HA3 GLY 12 3HA GLY 12 -12.783 3.896 -15.493 79 H GLY 13 H GLY 13 -13.855 5.380 -14.161 80 HA2 GLY 13 2HA GLY 13 -14.836 7.853 -15.350 81 HA3 GLY 13 3HA GLY 13 -14.948 7.393 -13.657 82 H LYS 14 H LYS 14 -14.265 9.910 -14.080 83 HA LYS 14 HA LYS 14 -11.472 9.975 -13.233 84 HB2 LYS 14 2HB LYS 14 -11.034 11.939 -14.717 85 HB3 LYS 14 3HB LYS 14 -11.261 10.424 -15.580 86 HG2 LYS 14 2HG LYS 14 -12.834 11.373 -16.807 87 HG3 LYS 14 3HG LYS 14 -13.798 11.645 -15.354 88 HD2 LYS 14 2HD LYS 14 -13.440 13.738 -16.537 89 HD3 LYS 14 3HD LYS 14 -12.609 13.764 -14.979 90 HE2 LYS 14 2HE LYS 14 -10.514 13.586 -15.950 91 HE3 LYS 14 3HE LYS 14 -11.151 12.888 -17.438 92 HZ1 LYS 14 1HZ LYS 14 -12.207 15.482 -17.044 93 HZ2 LYS 14 2HZ LYS 14 -11.282 14.895 -18.332 94 HZ3 LYS 14 3HZ LYS 14 -10.518 15.537 -16.966 95 H VAL 15 H VAL 15 -11.045 11.504 -11.713 96 HA VAL 15 HA VAL 15 -13.027 13.594 -11.202 97 HB VAL 15 HB VAL 15 -12.015 11.824 -8.978 98 HG11 VAL 15 1HG1 VAL 15 -14.018 12.935 -7.824 99 HG12 VAL 15 2HG1 VAL 15 -12.567 13.908 -8.074 100 HG13 VAL 15 3HG1 VAL 15 -13.957 14.104 -9.142 101 HG21 VAL 15 1HG2 VAL 15 -14.450 11.622 -10.687 102 HG22 VAL 15 2HG2 VAL 15 -13.415 10.345 -10.046 103 HG23 VAL 15 3HG2 VAL 15 -14.554 11.173 -8.985 104 H THR 16 H THR 16 -12.234 15.373 -10.013 105 HA THR 16 HA THR 16 -9.353 15.400 -9.460 106 HB THR 16 HB THR 16 -9.555 16.361 -11.681 107 HG1 THR 16 HG1 THR 16 -8.877 18.620 -11.013 108 HG21 THR 16 1HG2 THR 16 -11.356 18.479 -10.519 109 HG22 THR 16 2HG2 THR 16 -11.972 17.056 -11.361 110 HG23 THR 16 3HG2 THR 16 -10.944 18.209 -12.212 111 H PHE 17 H PHE 17 -8.864 16.350 -7.583 112 HA PHE 17 HA PHE 17 -10.901 18.072 -6.331 113 HB2 PHE 17 2HB PHE 17 -9.008 16.168 -4.936 114 HB3 PHE 17 3HB PHE 17 -10.200 17.200 -4.152 115 HD1 PHE 17 HD1 PHE 17 -9.632 13.974 -4.703 116 HD2 PHE 17 HD2 PHE 17 -12.596 16.872 -5.667 117 HE1 PHE 17 HE1 PHE 17 -11.308 12.185 -4.911 118 HE2 PHE 17 HE2 PHE 17 -14.278 15.088 -5.875 119 HZ PHE 17 HZ PHE 17 -13.635 12.741 -5.496 120 H ARG 18 H ARG 18 -10.097 19.707 -4.871 121 HA ARG 18 HA ARG 18 -7.373 20.584 -5.575 122 HB2 ARG 18 2HB ARG 18 -9.929 22.085 -5.173 123 HB3 ARG 18 3HB ARG 18 -8.404 22.883 -4.811 124 HG2 ARG 18 2HG ARG 18 -8.551 23.498 -6.970 125 HG3 ARG 18 3HG ARG 18 -7.827 21.911 -7.240 126 HD2 ARG 18 2HD ARG 18 -9.800 20.984 -7.965 127 HD3 ARG 18 3HD ARG 18 -10.793 22.129 -7.064 128 HE ARG 18 HE ARG 18 -9.346 23.455 -9.105 129 HH11 ARG 18 1HH1 ARG 18 -12.069 21.347 -8.594 130 HH12 ARG 18 2HH1 ARG 18 -12.915 21.882 -10.008 131 HH21 ARG 18 1HH2 ARG 18 -10.449 24.167 -10.969 132 HH22 ARG 18 2HH2 ARG 18 -11.992 23.485 -11.359 133 H ILE 19 H ILE 19 -5.941 20.886 -3.984 134 HA ILE 19 HA ILE 19 -6.899 20.607 -1.218 135 HB ILE 19 HB ILE 19 -4.079 20.232 -2.225 136 HG12 ILE 19 2HG1 ILE 19 -6.147 18.120 -1.580 137 HG13 ILE 19 3HG1 ILE 19 -5.663 18.585 -3.207 138 HG21 ILE 19 1HG2 ILE 19 -3.469 19.793 -0.111 139 HG22 ILE 19 2HG2 ILE 19 -4.929 20.685 0.315 140 HG23 ILE 19 3HG2 ILE 19 -4.962 18.924 0.245 141 HD11 ILE 19 1HD1 ILE 19 -3.850 17.398 -1.121 142 HD12 ILE 19 2HD1 ILE 19 -4.575 16.529 -2.474 143 HD13 ILE 19 3HD1 ILE 19 -3.406 17.814 -2.776 144 H ILE 20 H ILE 20 -6.651 22.216 0.206 145 HA ILE 20 HA ILE 20 -4.937 24.489 -0.556 146 HB ILE 20 HB ILE 20 -7.605 24.609 0.855 147 HG12 ILE 20 2HG1 ILE 20 -7.980 26.163 -1.246 148 HG13 ILE 20 3HG1 ILE 20 -6.683 25.190 -1.932 149 HG21 ILE 20 1HG2 ILE 20 -6.942 27.176 0.225 150 HG22 ILE 20 2HG2 ILE 20 -6.727 26.436 1.810 151 HG23 ILE 20 3HG2 ILE 20 -5.378 26.499 0.677 152 HD11 ILE 20 1HD1 ILE 20 -8.824 23.653 -0.655 153 HD12 ILE 20 2HD1 ILE 20 -9.310 24.578 -2.076 154 HD13 ILE 20 3HD1 ILE 20 -8.001 23.403 -2.194 155 H LEU 21 H LEU 21 -3.228 24.438 0.754 156 HA LEU 21 HA LEU 21 -3.570 23.613 3.542 157 HB2 LEU 21 2HB LEU 21 -1.666 22.958 1.716 158 HB3 LEU 21 3HB LEU 21 -0.877 24.278 2.577 159 HG LEU 21 HG LEU 21 -1.930 22.562 4.546 160 HD11 LEU 21 1HD1 LEU 21 -1.738 21.047 2.300 161 HD12 LEU 21 2HD1 LEU 21 -1.572 20.433 3.945 162 HD13 LEU 21 3HD1 LEU 21 -0.135 20.833 3.003 163 HD21 LEU 21 1HD2 LEU 21 0.926 22.360 3.831 164 HD22 LEU 21 2HD2 LEU 21 0.164 22.728 5.378 165 HD23 LEU 21 3HD2 LEU 21 0.314 23.983 4.148 166 H THR 22 H THR 22 -2.696 24.865 5.264 167 HA THR 22 HA THR 22 -2.850 27.737 4.742 168 HB THR 22 HB THR 22 -4.246 26.791 6.555 169 HG1 THR 22 HG1 THR 22 -3.444 28.334 8.186 170 HG21 THR 22 1HG2 THR 22 -1.979 25.334 7.191 171 HG22 THR 22 2HG2 THR 22 -3.447 25.454 8.162 172 HG23 THR 22 3HG2 THR 22 -2.086 26.529 8.483 173 H SER 23 H SER 23 -0.580 25.274 5.577 174 HA SER 23 HA SER 23 1.411 27.153 6.545 175 HB2 SER 23 2HB SER 23 1.095 24.782 7.445 176 HB3 SER 23 3HB SER 23 1.845 24.225 5.949 177 HG SER 23 HG SER 23 3.295 24.559 7.783 178 H GLU 24 H GLU 24 0.405 25.844 3.576 179 HA GLU 24 HA GLU 24 2.996 26.397 2.311 180 HB2 GLU 24 2HB GLU 24 1.572 24.206 1.984 181 HB3 GLU 24 3HB GLU 24 0.689 25.200 0.834 182 HG2 GLU 24 2HG GLU 24 3.424 25.582 0.299 183 HG3 GLU 24 3HG GLU 24 3.180 23.850 0.512 184 H ARG 25 H ARG 25 2.218 28.723 2.878 185 HA ARG 25 HA ARG 25 0.191 29.932 1.335 186 HB2 ARG 25 2HB ARG 25 1.168 32.047 2.017 187 HB3 ARG 25 3HB ARG 25 1.138 30.937 3.380 188 HG2 ARG 25 2HG ARG 25 3.611 30.486 2.260 189 HG3 ARG 25 3HG ARG 25 3.386 32.227 2.076 190 HD2 ARG 25 2HD ARG 25 4.162 32.321 4.182 191 HD3 ARG 25 3HD ARG 25 2.519 31.853 4.619 192 HE ARG 25 HE ARG 25 3.304 29.792 5.249 193 HH11 ARG 25 1HH1 ARG 25 5.749 31.446 3.404 194 HH12 ARG 25 2HH1 ARG 25 6.982 30.279 3.746 195 HH21 ARG 25 1HH2 ARG 25 4.919 28.248 5.707 196 HH22 ARG 25 2HH2 ARG 25 6.509 28.460 5.056 197 H SER 26 H SER 26 3.326 28.861 0.527 198 HA SER 26 HA SER 26 4.080 30.652 -1.474 199 HB2 SER 26 2HB SER 26 4.593 27.674 -1.288 200 HB3 SER 26 3HB SER 26 5.435 28.776 -2.379 201 HG SER 26 HG SER 26 6.456 28.274 -0.267 202 H GLN 27 H GLN 27 1.805 27.992 -1.517 203 HA GLN 27 HA GLN 27 0.430 28.953 -3.770 204 HB2 GLN 27 2HB GLN 27 2.665 27.903 -4.694 205 HB3 GLN 27 3HB GLN 27 1.797 26.390 -4.472 206 HG2 GLN 27 2HG GLN 27 0.945 26.716 -6.489 207 HG3 GLN 27 3HG GLN 27 -0.022 28.007 -5.778 208 HE21 GLN 27 1HE2 GLN 27 2.901 27.257 -7.543 209 HE22 GLN 27 2HE2 GLN 27 3.156 28.843 -8.178 210 HA PRO 28 HA PRO 28 -1.636 25.815 -1.003 211 HB2 PRO 28 2HB PRO 28 -3.679 27.442 -0.260 212 HB3 PRO 28 3HB PRO 28 -2.134 27.386 0.598 213 HG2 PRO 28 2HG PRO 28 -3.098 29.352 -1.444 214 HG3 PRO 28 3HG PRO 28 -2.224 29.649 0.070 215 HD2 PRO 28 2HD PRO 28 -0.995 29.635 -2.342 216 HD3 PRO 28 3HD PRO 28 -0.183 29.107 -0.854 217 H PHE 29 H PHE 29 -1.918 24.987 -3.289 218 HA PHE 29 HA PHE 29 -4.619 24.562 -3.844 219 HB2 PHE 29 2HB PHE 29 -3.519 26.972 -5.038 220 HB3 PHE 29 3HB PHE 29 -4.109 25.851 -6.261 221 HD1 PHE 29 HD1 PHE 29 -6.449 24.670 -5.270 222 HD2 PHE 29 HD2 PHE 29 -5.032 28.627 -4.599 223 HE1 PHE 29 HE1 PHE 29 -8.754 25.421 -4.846 224 HE2 PHE 29 HE2 PHE 29 -7.334 29.384 -4.173 225 HZ PHE 29 HZ PHE 29 -9.199 27.779 -4.295 226 H ARG 30 H ARG 30 -3.616 22.478 -3.852 227 HA ARG 30 HA ARG 30 -2.004 21.873 -6.230 228 HB2 ARG 30 2HB ARG 30 -1.049 21.198 -4.067 229 HB3 ARG 30 3HB ARG 30 -2.477 20.227 -3.739 230 HG2 ARG 30 2HG ARG 30 -0.784 18.746 -4.464 231 HG3 ARG 30 3HG ARG 30 -1.930 18.902 -5.797 232 HD2 ARG 30 2HD ARG 30 0.056 19.129 -6.920 233 HD3 ARG 30 3HD ARG 30 -0.306 20.816 -6.555 234 HE ARG 30 HE ARG 30 1.301 19.506 -4.559 235 HH11 ARG 30 1HH1 ARG 30 1.322 21.277 -7.556 236 HH12 ARG 30 2HH1 ARG 30 2.946 21.848 -7.359 237 HH21 ARG 30 1HH2 ARG 30 3.440 20.251 -4.288 238 HH22 ARG 30 2HH2 ARG 30 4.150 21.263 -5.500 239 H VAL 31 H VAL 31 -3.021 21.042 -7.920 240 HA VAL 31 HA VAL 31 -5.678 19.915 -7.634 241 HB VAL 31 HB VAL 31 -5.610 19.754 -10.124 242 HG11 VAL 31 1HG1 VAL 31 -6.646 21.683 -9.352 243 HG12 VAL 31 2HG1 VAL 31 -5.147 22.348 -8.701 244 HG13 VAL 31 3HG1 VAL 31 -5.413 22.310 -10.445 245 HG21 VAL 31 1HG2 VAL 31 -3.664 19.816 -11.190 246 HG22 VAL 31 2HG2 VAL 31 -3.428 21.478 -10.650 247 HG23 VAL 31 3HG2 VAL 31 -2.823 20.139 -9.674 248 H ILE 32 H ILE 32 -6.061 17.823 -7.380 249 HA ILE 32 HA ILE 32 -3.998 15.902 -8.241 250 HB ILE 32 HB ILE 32 -4.856 14.374 -6.513 251 HG12 ILE 32 2HG1 ILE 32 -6.242 16.084 -4.782 252 HG13 ILE 32 3HG1 ILE 32 -6.945 16.378 -6.369 253 HG21 ILE 32 1HG2 ILE 32 -3.395 15.211 -5.048 254 HG22 ILE 32 2HG2 ILE 32 -3.212 16.551 -6.179 255 HG23 ILE 32 3HG2 ILE 32 -4.334 16.687 -4.825 256 HD11 ILE 32 1HD1 ILE 32 -6.744 13.611 -6.173 257 HD12 ILE 32 2HD1 ILE 32 -7.303 14.153 -4.589 258 HD13 ILE 32 3HD1 ILE 32 -8.204 14.592 -6.040 259 H SER 33 H SER 33 -4.544 14.455 -9.737 260 HA SER 33 HA SER 33 -7.377 14.243 -10.488 261 HB2 SER 33 2HB SER 33 -5.048 13.309 -12.159 262 HB3 SER 33 3HB SER 33 -6.686 13.696 -12.684 263 HG SER 33 HG SER 33 -5.090 15.341 -13.144 264 H ILE 34 H ILE 34 -8.433 12.465 -9.938 265 HA ILE 34 HA ILE 34 -7.057 9.892 -9.950 266 HB ILE 34 HB ILE 34 -6.841 10.584 -7.640 267 HG12 ILE 34 2HG1 ILE 34 -9.034 8.528 -7.987 268 HG13 ILE 34 3HG1 ILE 34 -7.304 8.215 -8.082 269 HG21 ILE 34 1HG2 ILE 34 -8.363 11.800 -6.573 270 HG22 ILE 34 2HG2 ILE 34 -9.302 11.831 -8.065 271 HG23 ILE 34 3HG2 ILE 34 -9.609 10.585 -6.855 272 HD11 ILE 34 1HD1 ILE 34 -8.190 7.513 -5.946 273 HD12 ILE 34 2HD1 ILE 34 -7.073 8.862 -5.733 274 HD13 ILE 34 3HD1 ILE 34 -8.813 9.136 -5.648 275 H ALA 35 H ALA 35 -8.374 8.153 -10.392 276 HA ALA 35 HA ALA 35 -10.855 8.733 -11.682 277 HB1 ALA 35 1HB ALA 35 -9.042 6.818 -12.059 278 HB2 ALA 35 2HB ALA 35 -10.165 5.929 -11.030 279 HB3 ALA 35 3HB ALA 35 -10.728 6.638 -12.543 280 H GLU 36 H GLU 36 -12.927 7.861 -11.153 281 HA GLU 36 HA GLU 36 -13.689 8.235 -8.482 282 HB2 GLU 36 2HB GLU 36 -15.020 8.058 -10.849 283 HB3 GLU 36 3HB GLU 36 -15.448 6.520 -10.113 284 HG2 GLU 36 2HG GLU 36 -16.819 7.474 -8.640 285 HG3 GLU 36 3HG GLU 36 -15.685 8.777 -8.287 286 H GLU 37 H GLU 37 -12.472 5.465 -10.131 287 HA GLU 37 HA GLU 37 -13.109 3.785 -7.795 288 HB2 GLU 37 2HB GLU 37 -13.453 3.310 -10.598 289 HB3 GLU 37 3HB GLU 37 -12.280 2.163 -9.969 290 HG2 GLU 37 2HG GLU 37 -14.293 1.059 -9.712 291 HG3 GLU 37 3HG GLU 37 -14.000 1.737 -8.111 292 H ALA 38 H ALA 38 -10.727 5.604 -8.840 293 HA ALA 38 HA ALA 38 -8.529 3.725 -8.742 294 HB1 ALA 38 1HB ALA 38 -7.178 5.916 -8.787 295 HB2 ALA 38 2HB ALA 38 -8.116 5.477 -10.216 296 HB3 ALA 38 3HB ALA 38 -8.731 6.693 -9.096 297 HA PRO 39 HA PRO 39 -7.623 3.919 -4.451 298 HB2 PRO 39 2HB PRO 39 -4.909 3.855 -4.459 299 HB3 PRO 39 3HB PRO 39 -5.904 2.450 -4.861 300 HG2 PRO 39 2HG PRO 39 -4.520 4.376 -6.687 301 HG3 PRO 39 3HG PRO 39 -4.626 2.610 -6.797 302 HD2 PRO 39 2HD PRO 39 -6.186 4.257 -8.275 303 HD3 PRO 39 3HD PRO 39 -6.741 2.668 -7.711 304 H LEU 40 H LEU 40 -7.195 5.361 -2.829 305 HA LEU 40 HA LEU 40 -7.107 8.087 -3.385 306 HB2 LEU 40 2HB LEU 40 -6.658 8.394 -0.998 307 HB3 LEU 40 3HB LEU 40 -7.949 7.231 -1.291 308 HG LEU 40 HG LEU 40 -5.246 6.097 -0.931 309 HD11 LEU 40 1HD1 LEU 40 -6.628 6.771 1.589 310 HD12 LEU 40 2HD1 LEU 40 -5.785 8.089 0.776 311 HD13 LEU 40 3HD1 LEU 40 -4.906 6.631 1.236 312 HD21 LEU 40 1HD2 LEU 40 -6.440 4.271 -0.503 313 HD22 LEU 40 2HD2 LEU 40 -7.873 5.189 -0.966 314 HD23 LEU 40 3HD2 LEU 40 -7.391 5.100 0.729 315 H THR 41 H THR 41 -4.556 5.778 -3.130 316 HA THR 41 HA THR 41 -2.372 7.294 -2.406 317 HB THR 41 HB THR 41 -2.396 5.183 -4.572 318 HG1 THR 41 HG1 THR 41 -2.981 3.971 -2.929 319 HG21 THR 41 1HG2 THR 41 -0.036 4.836 -3.521 320 HG22 THR 41 2HG2 THR 41 -0.236 6.501 -2.974 321 HG23 THR 41 3HG2 THR 41 -0.284 6.126 -4.696 322 H ALA 42 H ALA 42 -4.146 7.306 -5.411 323 HA ALA 42 HA ALA 42 -2.279 8.561 -7.074 324 HB1 ALA 42 1HB ALA 42 -4.660 9.531 -7.982 325 HB2 ALA 42 2HB ALA 42 -3.982 7.956 -8.397 326 HB3 ALA 42 3HB ALA 42 -5.167 8.091 -7.098 327 H ALA 43 H ALA 43 -4.707 9.936 -4.886 328 HA ALA 43 HA ALA 43 -4.055 12.648 -5.547 329 HB1 ALA 43 1HB ALA 43 -5.518 13.206 -3.623 330 HB2 ALA 43 2HB ALA 43 -6.283 12.138 -4.800 331 HB3 ALA 43 3HB ALA 43 -5.668 11.481 -3.283 332 H LEU 44 H LEU 44 -3.342 10.486 -2.825 333 HA LEU 44 HA LEU 44 -2.050 12.209 -1.121 334 HB2 LEU 44 2HB LEU 44 -2.504 9.888 -0.573 335 HB3 LEU 44 3HB LEU 44 -1.323 9.355 -1.768 336 HG LEU 44 HG LEU 44 0.444 10.486 -0.398 337 HD11 LEU 44 1HD1 LEU 44 -0.839 12.064 0.841 338 HD12 LEU 44 2HD1 LEU 44 -0.164 10.910 1.990 339 HD13 LEU 44 3HD1 LEU 44 -1.859 10.794 1.517 340 HD21 LEU 44 1HD2 LEU 44 0.486 8.728 1.335 341 HD22 LEU 44 2HD2 LEU 44 0.139 8.093 -0.274 342 HD23 LEU 44 3HD2 LEU 44 -1.165 8.289 0.898 343 H ARG 45 H ARG 45 -0.880 10.823 -4.113 344 HA ARG 45 HA ARG 45 1.845 11.262 -3.887 345 HB2 ARG 45 2HB ARG 45 0.278 10.300 -5.839 346 HB3 ARG 45 3HB ARG 45 0.584 11.902 -6.498 347 HG2 ARG 45 2HG ARG 45 3.088 11.215 -5.851 348 HG3 ARG 45 3HG ARG 45 2.410 9.613 -6.147 349 HD2 ARG 45 2HD ARG 45 1.453 11.111 -8.254 350 HD3 ARG 45 3HD ARG 45 3.084 11.737 -8.021 351 HE ARG 45 HE ARG 45 3.026 8.886 -8.035 352 HH11 ARG 45 1HH1 ARG 45 2.986 11.700 -10.085 353 HH12 ARG 45 2HH1 ARG 45 3.673 10.878 -11.447 354 HH21 ARG 45 1HH2 ARG 45 3.930 7.793 -9.821 355 HH22 ARG 45 2HH2 ARG 45 4.208 8.656 -11.296 356 H PHE 46 H PHE 46 -0.645 13.498 -5.098 357 HA PHE 46 HA PHE 46 1.282 15.661 -5.242 358 HB2 PHE 46 2HB PHE 46 -1.507 15.218 -6.147 359 HB3 PHE 46 3HB PHE 46 -1.067 16.877 -5.754 360 HD1 PHE 46 HD1 PHE 46 -1.462 14.817 -8.395 361 HD2 PHE 46 HD2 PHE 46 1.522 17.333 -6.697 362 HE1 PHE 46 HE1 PHE 46 -0.410 15.056 -10.606 363 HE2 PHE 46 HE2 PHE 46 2.578 17.576 -8.906 364 HZ PHE 46 HZ PHE 46 1.612 16.438 -10.864 365 H ALA 47 H ALA 47 -1.228 14.515 -3.130 366 HA ALA 47 HA ALA 47 -1.732 16.864 -1.675 367 HB1 ALA 47 1HB ALA 47 -1.941 14.650 0.077 368 HB2 ALA 47 2HB ALA 47 -3.232 15.513 -0.759 369 HB3 ALA 47 3HB ALA 47 -2.465 14.120 -1.522 370 H ALA 48 H ALA 48 0.643 14.276 -1.183 371 HA ALA 48 HA ALA 48 1.699 15.204 1.246 372 HB1 ALA 48 1HB ALA 48 3.824 13.957 0.216 373 HB2 ALA 48 2HB ALA 48 2.430 13.093 0.867 374 HB3 ALA 48 3HB ALA 48 2.582 13.338 -0.873 375 H GLU 49 H GLU 49 2.183 16.247 -2.029 376 HA GLU 49 HA GLU 49 4.639 17.629 -1.594 377 HB2 GLU 49 2HB GLU 49 2.618 18.241 -3.746 378 HB3 GLU 49 3HB GLU 49 4.354 18.517 -3.785 379 HG2 GLU 49 2HG GLU 49 2.855 15.943 -4.045 380 HG3 GLU 49 3HG GLU 49 4.039 16.656 -5.139 381 H GLU 50 H GLU 50 1.238 18.495 -1.408 382 HA GLU 50 HA GLU 50 1.485 21.274 -1.273 383 HB2 GLU 50 2HB GLU 50 -0.566 19.318 -0.824 384 HB3 GLU 50 3HB GLU 50 -0.614 20.513 0.464 385 HG2 GLU 50 2HG GLU 50 -0.347 21.612 -2.245 386 HG3 GLU 50 3HG GLU 50 -1.861 20.772 -1.916 387 H PHE 51 H PHE 51 2.212 18.822 1.052 388 HA PHE 51 HA PHE 51 2.589 20.865 3.136 389 HB2 PHE 51 2HB PHE 51 1.387 18.313 3.229 390 HB3 PHE 51 3HB PHE 51 2.900 18.179 4.119 391 HD1 PHE 51 HD1 PHE 51 -0.317 18.414 4.772 392 HD2 PHE 51 HD2 PHE 51 3.181 20.758 5.390 393 HE1 PHE 51 HE1 PHE 51 -1.377 19.475 6.722 394 HE2 PHE 51 HE2 PHE 51 2.127 21.823 7.342 395 HZ PHE 51 HZ PHE 51 -0.155 21.181 8.011 396 H GLY 52 H GLY 52 4.194 18.635 1.071 397 HA2 GLY 52 2HA GLY 52 6.427 18.246 0.699 398 HA3 GLY 52 3HA GLY 52 6.755 19.661 1.688 399 H ILE 53 H ILE 53 4.989 16.879 2.867 400 HA ILE 53 HA ILE 53 7.278 16.255 4.616 401 HB ILE 53 HB ILE 53 5.654 15.440 6.276 402 HG12 ILE 53 2HG1 ILE 53 3.675 16.361 4.200 403 HG13 ILE 53 3HG1 ILE 53 3.772 14.796 5.001 404 HG21 ILE 53 1HG2 ILE 53 5.293 17.500 7.190 405 HG22 ILE 53 2HG2 ILE 53 6.453 17.935 5.937 406 HG23 ILE 53 3HG2 ILE 53 4.730 18.198 5.672 407 HD11 ILE 53 1HD1 ILE 53 2.075 15.609 6.213 408 HD12 ILE 53 2HD1 ILE 53 3.358 16.412 7.119 409 HD13 ILE 53 3HD1 ILE 53 2.486 17.287 5.860 410 H ALA 54 H ALA 54 6.675 13.912 5.667 411 HA ALA 54 HA ALA 54 7.196 12.056 3.619 412 HB1 ALA 54 1HB ALA 54 8.010 11.384 5.666 413 HB2 ALA 54 2HB ALA 54 6.534 11.834 6.521 414 HB3 ALA 54 3HB ALA 54 6.565 10.383 5.519 415 H SER 55 H SER 55 4.521 11.479 5.838 416 HA SER 55 HA SER 55 2.525 11.575 3.766 417 HB2 SER 55 2HB SER 55 2.018 9.016 4.496 418 HB3 SER 55 3HB SER 55 2.959 9.452 3.069 419 HG SER 55 HG SER 55 4.758 8.848 4.047 420 H VAL 56 H VAL 56 3.256 12.416 6.630 421 HA VAL 56 HA VAL 56 1.263 11.272 8.319 422 HB VAL 56 HB VAL 56 1.789 13.144 9.856 423 HG11 VAL 56 1HG1 VAL 56 3.834 12.289 10.512 424 HG12 VAL 56 2HG1 VAL 56 3.191 10.981 9.517 425 HG13 VAL 56 3HG1 VAL 56 4.398 12.083 8.854 426 HG21 VAL 56 1HG2 VAL 56 2.202 14.882 8.205 427 HG22 VAL 56 2HG2 VAL 56 3.595 14.701 9.271 428 HG23 VAL 56 3HG2 VAL 56 3.639 14.028 7.642 429 H ASP 57 H ASP 57 1.192 13.635 5.871 430 HA ASP 57 HA ASP 57 -1.005 15.174 6.883 431 HB2 ASP 57 2HB ASP 57 -1.096 16.016 4.485 432 HB3 ASP 57 3HB ASP 57 0.416 16.290 5.346 433 H SER 58 H SER 58 -0.821 12.072 5.791 434 HA SER 58 HA SER 58 -2.966 11.772 4.037 435 HB2 SER 58 2HB SER 58 -2.782 9.488 4.411 436 HB3 SER 58 3HB SER 58 -1.190 10.049 4.919 437 HG SER 58 HG SER 58 -1.744 9.783 7.006 438 H MET 59 H MET 59 -2.926 12.481 7.403 439 HA MET 59 HA MET 59 -5.850 12.496 7.419 440 HB2 MET 59 2HB MET 59 -5.794 11.537 9.760 441 HB3 MET 59 3HB MET 59 -5.427 10.407 8.463 442 HG2 MET 59 2HG MET 59 -3.409 9.980 9.277 443 HG3 MET 59 3HG MET 59 -3.043 11.693 9.475 444 HE1 MET 59 1HE MET 59 -3.269 8.663 12.407 445 HE2 MET 59 2HE MET 59 -2.482 8.964 10.858 446 HE3 MET 59 3HE MET 59 -1.923 9.799 12.308 447 H ALA 60 H ALA 60 -5.009 14.802 7.093 448 HA ALA 60 HA ALA 60 -5.117 16.124 9.678 449 HB1 ALA 60 1HB ALA 60 -2.968 17.074 7.842 450 HB2 ALA 60 2HB ALA 60 -3.114 17.245 9.592 451 HB3 ALA 60 3HB ALA 60 -2.656 15.692 8.893 452 H ALA 61 H ALA 61 -7.240 16.467 8.552 453 HA ALA 61 HA ALA 61 -7.300 19.105 7.452 454 HB1 ALA 61 1HB ALA 61 -8.333 18.556 5.311 455 HB2 ALA 61 2HB ALA 61 -6.711 17.870 5.428 456 HB3 ALA 61 3HB ALA 61 -8.124 16.836 5.643 457 H THR 62 H THR 62 -9.437 19.960 7.295 458 HA THR 62 HA THR 62 -11.535 18.277 8.489 459 HB THR 62 HB THR 62 -12.261 20.017 9.947 460 HG1 THR 62 HG1 THR 62 -11.873 22.032 9.460 461 HG21 THR 62 1HG2 THR 62 -10.283 20.387 11.372 462 HG22 THR 62 2HG2 THR 62 -9.248 19.826 10.059 463 HG23 THR 62 3HG2 THR 62 -10.395 18.718 10.813 464 H THR 63 H THR 63 -13.713 18.975 8.045 465 HA THR 63 HA THR 63 -13.941 20.135 5.388 466 HB THR 63 HB THR 63 -16.314 19.220 6.966 467 HG1 THR 63 HG1 THR 63 -15.842 17.084 6.447 468 HG21 THR 63 1HG2 THR 63 -15.501 19.276 4.071 469 HG22 THR 63 2HG2 THR 63 -16.879 20.060 4.844 470 HG23 THR 63 3HG2 THR 63 -16.862 18.309 4.636 471 H LYS 64 H LYS 64 -15.707 21.693 4.944 472 HA LYS 64 HA LYS 64 -15.433 24.006 6.530 473 HB2 LYS 64 2HB LYS 64 -17.642 23.465 4.544 474 HB3 LYS 64 3HB LYS 64 -17.017 25.030 5.045 475 HG2 LYS 64 2HG LYS 64 -15.561 22.950 3.427 476 HG3 LYS 64 3HG LYS 64 -16.203 24.489 2.846 477 HD2 LYS 64 2HD LYS 64 -14.680 25.588 4.568 478 HD3 LYS 64 3HD LYS 64 -13.900 24.012 4.721 479 HE2 LYS 64 2HE LYS 64 -14.280 25.180 2.005 480 HE3 LYS 64 3HE LYS 64 -12.999 25.819 3.034 481 HZ1 LYS 64 1HZ LYS 64 -12.502 23.859 1.451 482 HZ2 LYS 64 2HZ LYS 64 -13.244 22.913 2.641 483 HZ3 LYS 64 3HZ LYS 64 -11.873 23.829 3.021 484 H ASP 65 H ASP 65 -17.777 21.419 6.511 485 HA ASP 65 HA ASP 65 -19.692 22.779 8.158 486 HB2 ASP 65 2HB ASP 65 -19.815 20.584 6.545 487 HB3 ASP 65 3HB ASP 65 -19.737 19.832 8.136 488 H GLY 66 H GLY 66 -16.813 20.969 8.707 489 HA2 GLY 66 2HA GLY 66 -16.386 21.645 11.298 490 HA3 GLY 66 3HA GLY 66 -17.445 20.248 11.429 491 H THR 67 H THR 67 -16.358 18.457 11.845 492 HA THR 67 HA THR 67 -13.551 18.226 11.331 493 HB THR 67 HB THR 67 -14.139 15.731 12.032 494 HG1 THR 67 HG1 THR 67 -16.130 15.490 12.695 495 HG21 THR 67 1HG2 THR 67 -12.881 17.591 13.286 496 HG22 THR 67 2HG2 THR 67 -13.606 16.299 14.243 497 HG23 THR 67 3HG2 THR 67 -14.405 17.867 14.128 498 H GLY 68 H GLY 68 -12.495 17.083 9.777 499 HA2 GLY 68 2HA GLY 68 -14.171 15.703 7.772 500 HA3 GLY 68 3HA GLY 68 -12.853 16.768 7.307 501 H ILE 69 H ILE 69 -13.668 13.699 8.806 502 HA ILE 69 HA ILE 69 -10.913 12.852 8.968 503 HB ILE 69 HB ILE 69 -12.651 12.095 10.594 504 HG12 ILE 69 2HG1 ILE 69 -11.890 9.731 10.635 505 HG13 ILE 69 3HG1 ILE 69 -11.230 9.937 9.017 506 HG21 ILE 69 1HG2 ILE 69 -13.620 9.995 8.782 507 HG22 ILE 69 2HG2 ILE 69 -14.477 10.919 10.015 508 HG23 ILE 69 3HG2 ILE 69 -14.196 11.622 8.422 509 HD11 ILE 69 1HD1 ILE 69 -10.179 12.005 10.623 510 HD12 ILE 69 2HD1 ILE 69 -10.021 10.495 11.521 511 HD13 ILE 69 3HD1 ILE 69 -9.335 10.635 9.903 512 H ASN 70 H ASN 70 -9.821 11.571 7.576 513 HA ASN 70 HA ASN 70 -11.214 10.820 5.094 514 HB2 ASN 70 2HB ASN 70 -8.231 10.940 5.273 515 HB3 ASN 70 3HB ASN 70 -9.281 11.240 3.892 516 HD21 ASN 70 1HD2 ASN 70 -8.034 12.560 6.879 517 HD22 ASN 70 2HD2 ASN 70 -8.351 14.217 6.503 518 HA PRO 71 HA PRO 71 -10.292 6.806 7.169 519 HB2 PRO 71 2HB PRO 71 -12.577 5.604 6.329 520 HB3 PRO 71 3HB PRO 71 -12.495 6.598 7.789 521 HG2 PRO 71 2HG PRO 71 -13.469 7.326 5.053 522 HG3 PRO 71 3HG PRO 71 -14.176 7.713 6.633 523 HD2 PRO 71 2HD PRO 71 -12.700 9.492 5.223 524 HD3 PRO 71 3HD PRO 71 -12.719 9.461 6.998 525 H ALA 72 H ALA 72 -11.860 7.190 3.985 526 HA ALA 72 HA ALA 72 -10.069 5.099 2.938 527 HB1 ALA 72 1HB ALA 72 -12.609 4.804 2.841 528 HB2 ALA 72 2HB ALA 72 -12.574 6.034 1.577 529 HB3 ALA 72 3HB ALA 72 -11.694 4.521 1.359 530 H GLN 73 H GLN 73 -11.114 8.398 2.590 531 HA GLN 73 HA GLN 73 -10.408 10.122 1.284 532 HB2 GLN 73 2HB GLN 73 -7.880 8.630 0.694 533 HB3 GLN 73 3HB GLN 73 -8.111 10.345 1.003 534 HG2 GLN 73 2HG GLN 73 -8.872 9.359 3.375 535 HG3 GLN 73 3HG GLN 73 -7.726 8.112 2.885 536 HE21 GLN 73 1HE2 GLN 73 -5.795 8.442 3.694 537 HE22 GLN 73 2HE2 GLN 73 -5.031 9.973 3.931 538 H THR 74 H THR 74 -11.718 7.722 0.048 539 HA THR 74 HA THR 74 -10.602 7.505 -2.594 540 HB THR 74 HB THR 74 -13.407 6.665 -1.998 541 HG1 THR 74 HG1 THR 74 -11.046 5.474 -0.949 542 HG21 THR 74 1HG2 THR 74 -11.950 4.613 -3.192 543 HG22 THR 74 2HG2 THR 74 -11.339 6.089 -3.940 544 HG23 THR 74 3HG2 THR 74 -13.063 5.721 -3.992 545 H ALA 75 H ALA 75 -11.880 7.994 -4.548 546 HA ALA 75 HA ALA 75 -12.621 10.701 -4.648 547 HB1 ALA 75 1HB ALA 75 -12.381 8.499 -6.504 548 HB2 ALA 75 2HB ALA 75 -13.773 9.515 -6.882 549 HB3 ALA 75 3HB ALA 75 -12.164 10.229 -6.772 550 H GLY 76 H GLY 76 -14.601 7.744 -4.675 551 HA2 GLY 76 2HA GLY 76 -17.091 9.077 -4.888 552 HA3 GLY 76 3HA GLY 76 -16.851 7.424 -4.341 553 H ASN 77 H ASN 77 -15.178 8.029 -2.112 554 HA ASN 77 HA ASN 77 -17.194 8.620 -0.184 555 HB2 ASN 77 2HB ASN 77 -14.285 7.936 -0.088 556 HB3 ASN 77 3HB ASN 77 -15.041 8.616 1.350 557 HD21 ASN 77 1HD2 ASN 77 -14.852 5.898 -0.777 558 HD22 ASN 77 2HD2 ASN 77 -15.773 4.807 0.196 559 H VAL 78 H VAL 78 -14.115 10.248 -0.963 560 HA VAL 78 HA VAL 78 -14.481 12.493 0.639 561 HB VAL 78 HB VAL 78 -13.010 12.331 -1.995 562 HG11 VAL 78 1HG1 VAL 78 -13.423 14.501 -0.091 563 HG12 VAL 78 2HG1 VAL 78 -11.721 14.178 -0.428 564 HG13 VAL 78 3HG1 VAL 78 -12.829 14.546 -1.751 565 HG21 VAL 78 1HG2 VAL 78 -12.384 10.725 -0.101 566 HG22 VAL 78 2HG2 VAL 78 -11.095 11.701 -0.805 567 HG23 VAL 78 3HG2 VAL 78 -11.800 12.157 0.746 568 H PHE 79 H PHE 79 -15.673 11.782 -2.582 569 HA PHE 79 HA PHE 79 -16.454 14.306 -3.418 570 HB2 PHE 79 2HB PHE 79 -16.584 12.469 -4.948 571 HB3 PHE 79 3HB PHE 79 -17.712 11.605 -3.908 572 HD1 PHE 79 HD1 PHE 79 -19.931 11.646 -4.478 573 HD2 PHE 79 HD2 PHE 79 -17.435 14.875 -5.684 574 HE1 PHE 79 HE1 PHE 79 -21.821 12.646 -5.695 575 HE2 PHE 79 HE2 PHE 79 -19.321 15.882 -6.903 576 HZ PHE 79 HZ PHE 79 -21.517 14.768 -6.909 577 H MET 80 H MET 80 -18.135 12.022 -1.311 578 HA MET 80 HA MET 80 -20.327 13.915 -0.940 579 HB2 MET 80 2HB MET 80 -19.903 11.042 -0.158 580 HB3 MET 80 3HB MET 80 -21.204 11.995 0.543 581 HG2 MET 80 2HG MET 80 -21.419 12.424 -2.191 582 HG3 MET 80 3HG MET 80 -21.037 10.712 -2.033 583 HE1 MET 80 1HE MET 80 -23.233 13.533 -1.692 584 HE2 MET 80 2HE MET 80 -24.370 12.562 -2.628 585 HE3 MET 80 3HE MET 80 -24.746 12.999 -0.960 586 H LYS 81 H LYS 81 -17.440 12.871 0.583 587 HA LYS 81 HA LYS 81 -18.154 13.554 3.266 588 HB2 LYS 81 2HB LYS 81 -15.965 12.322 1.967 589 HB3 LYS 81 3HB LYS 81 -15.322 13.722 2.816 590 HG2 LYS 81 2HG LYS 81 -15.260 12.447 4.629 591 HG3 LYS 81 3HG LYS 81 -17.022 12.551 4.657 592 HD2 LYS 81 2HD LYS 81 -15.735 10.504 2.915 593 HD3 LYS 81 3HD LYS 81 -15.792 10.220 4.657 594 HE2 LYS 81 2HE LYS 81 -18.289 11.096 3.307 595 HE3 LYS 81 3HE LYS 81 -17.742 9.443 3.030 596 HZ1 LYS 81 1HZ LYS 81 -17.655 10.205 5.793 597 HZ2 LYS 81 2HZ LYS 81 -18.343 8.839 5.072 598 HZ3 LYS 81 3HZ LYS 81 -19.216 10.287 5.146 599 H TYR 82 H TYR 82 -15.994 15.116 0.892 600 HA TYR 82 HA TYR 82 -16.521 17.675 2.257 601 HB2 TYR 82 2HB TYR 82 -14.048 17.157 0.631 602 HB3 TYR 82 3HB TYR 82 -14.316 18.373 1.875 603 HD1 TYR 82 HD1 TYR 82 -15.316 16.860 4.130 604 HD2 TYR 82 HD2 TYR 82 -12.292 15.817 1.324 605 HE1 TYR 82 HE1 TYR 82 -14.282 15.382 5.802 606 HE2 TYR 82 HE2 TYR 82 -11.251 14.335 2.988 607 HH TYR 82 HH TYR 82 -11.695 13.207 4.983 608 H GLY 83 H GLY 83 -16.359 15.950 -0.757 609 HA2 GLY 83 2HA GLY 83 -16.907 16.539 -2.911 610 HA3 GLY 83 3HA GLY 83 -18.100 17.576 -2.143 611 H GLN 84 H GLN 84 -14.623 17.492 -2.906 612 HA GLN 84 HA GLN 84 -13.163 19.142 -3.493 613 HB2 GLN 84 2HB GLN 84 -15.677 20.021 -4.905 614 HB3 GLN 84 3HB GLN 84 -14.136 20.839 -5.124 615 HG2 GLN 84 2HG GLN 84 -13.141 18.813 -5.986 616 HG3 GLN 84 3HG GLN 84 -14.634 17.925 -5.685 617 HE21 GLN 84 1HE2 GLN 84 -14.675 17.367 -7.902 618 HE22 GLN 84 2HE2 GLN 84 -15.211 18.498 -9.092 619 H GLU 85 H GLU 85 -14.088 19.487 -0.938 620 HA GLU 85 HA GLU 85 -13.706 22.313 -0.587 621 HB2 GLU 85 2HB GLU 85 -16.254 21.825 -0.970 622 HB3 GLU 85 3HB GLU 85 -16.198 21.253 0.691 623 HG2 GLU 85 2HG GLU 85 -16.625 23.363 1.245 624 HG3 GLU 85 3HG GLU 85 -14.927 23.660 0.877 625 H ILE 86 H ILE 86 -11.836 21.287 0.409 626 HA ILE 86 HA ILE 86 -12.364 20.686 3.224 627 HB ILE 86 HB ILE 86 -12.132 18.495 2.223 628 HG12 ILE 86 2HG1 ILE 86 -9.621 19.325 3.694 629 HG13 ILE 86 3HG1 ILE 86 -11.140 18.834 4.437 630 HG21 ILE 86 1HG2 ILE 86 -9.418 19.335 1.227 631 HG22 ILE 86 2HG2 ILE 86 -10.250 17.810 0.932 632 HG23 ILE 86 3HG2 ILE 86 -10.865 19.301 0.219 633 HD11 ILE 86 1HD1 ILE 86 -10.381 16.769 2.682 634 HD12 ILE 86 2HD1 ILE 86 -8.949 17.227 3.604 635 HD13 ILE 86 3HD1 ILE 86 -10.423 16.748 4.445 636 H ARG 87 H ARG 87 -10.767 21.344 4.633 637 HA ARG 87 HA ARG 87 -8.617 22.953 3.428 638 HB2 ARG 87 2HB ARG 87 -10.526 23.528 5.475 639 HB3 ARG 87 3HB ARG 87 -8.919 23.560 6.187 640 HG2 ARG 87 2HG ARG 87 -9.706 25.091 3.718 641 HG3 ARG 87 3HG ARG 87 -9.710 25.758 5.352 642 HD2 ARG 87 2HD ARG 87 -7.203 24.573 5.054 643 HD3 ARG 87 3HD ARG 87 -7.511 25.384 3.519 644 HE ARG 87 HE ARG 87 -8.057 27.005 5.834 645 HH11 ARG 87 1HH1 ARG 87 -5.639 25.968 3.554 646 HH12 ARG 87 2HH1 ARG 87 -4.632 27.358 3.792 647 HH21 ARG 87 1HH2 ARG 87 -6.739 28.839 6.156 648 HH22 ARG 87 2HH2 ARG 87 -5.258 28.990 5.273 649 H LEU 88 H LEU 88 -6.525 22.610 3.984 650 HA LEU 88 HA LEU 88 -5.947 20.174 5.462 651 HB2 LEU 88 2HB LEU 88 -4.695 21.688 3.363 652 HB3 LEU 88 3HB LEU 88 -3.551 21.401 4.673 653 HG LEU 88 HG LEU 88 -3.461 19.713 2.851 654 HD11 LEU 88 1HD1 LEU 88 -3.595 19.287 5.677 655 HD12 LEU 88 2HD1 LEU 88 -2.589 18.482 4.473 656 HD13 LEU 88 3HD1 LEU 88 -4.201 17.862 4.832 657 HD21 LEU 88 1HD2 LEU 88 -6.215 19.006 3.860 658 HD22 LEU 88 2HD2 LEU 88 -5.257 18.033 2.743 659 HD23 LEU 88 3HD2 LEU 88 -5.811 19.638 2.263 660 H ILE 89 H ILE 89 -5.381 20.152 7.528 661 HA ILE 89 HA ILE 89 -4.159 22.568 8.686 662 HB ILE 89 HB ILE 89 -6.194 20.803 10.053 663 HG12 ILE 89 2HG1 ILE 89 -6.485 23.697 9.241 664 HG13 ILE 89 3HG1 ILE 89 -7.056 22.360 8.248 665 HG21 ILE 89 1HG2 ILE 89 -4.891 23.347 11.012 666 HG22 ILE 89 2HG2 ILE 89 -6.067 22.370 11.889 667 HG23 ILE 89 3HG2 ILE 89 -4.462 21.723 11.550 668 HD11 ILE 89 1HD1 ILE 89 -8.039 23.253 10.931 669 HD12 ILE 89 2HD1 ILE 89 -8.934 23.080 9.421 670 HD13 ILE 89 3HD1 ILE 89 -8.395 21.647 10.296 671 HA PRO 90 HA PRO 90 -1.004 19.733 9.940 672 HB2 PRO 90 2HB PRO 90 0.294 21.394 11.651 673 HB3 PRO 90 3HB PRO 90 0.411 21.542 9.893 674 HG2 PRO 90 2HG PRO 90 -1.286 23.086 11.816 675 HG3 PRO 90 3HG PRO 90 -0.348 23.673 10.431 676 HD2 PRO 90 2HD PRO 90 -3.025 23.279 10.316 677 HD3 PRO 90 3HD PRO 90 -1.964 23.048 8.911 678 H ARG 91 H ARG 91 -2.763 18.476 11.054 679 HA ARG 91 HA ARG 91 -2.559 18.785 13.978 680 HB2 ARG 91 2HB ARG 91 -4.856 19.002 12.621 681 HB3 ARG 91 3HB ARG 91 -4.819 17.253 12.805 682 HG2 ARG 91 2HG ARG 91 -4.370 17.789 15.307 683 HG3 ARG 91 3HG ARG 91 -5.035 19.371 14.894 684 HD2 ARG 91 2HD ARG 91 -6.866 17.741 13.751 685 HD3 ARG 91 3HD ARG 91 -6.362 16.753 15.121 686 HE ARG 91 HE ARG 91 -6.881 19.373 16.002 687 HH11 ARG 91 1HH1 ARG 91 -8.537 16.549 14.818 688 HH12 ARG 91 2HH1 ARG 91 -10.008 16.896 15.666 689 HH21 ARG 91 1HH2 ARG 91 -8.811 19.841 17.123 690 HH22 ARG 91 2HH2 ARG 91 -10.163 18.769 16.976 691 H ASP 92 H ASP 92 -2.710 16.765 15.212 692 HA ASP 92 HA ASP 92 -2.014 14.659 15.720 693 HB2 ASP 92 2HB ASP 92 -3.546 14.382 13.425 694 HB3 ASP 92 3HB ASP 92 -2.055 13.531 13.030 695 H ARG 93 H ARG 93 -0.137 16.726 14.782 696 HA ARG 93 HA ARG 93 2.147 14.974 14.384 697 HB2 ARG 93 2HB ARG 93 1.393 15.600 12.098 698 HB3 ARG 93 3HB ARG 93 1.621 17.292 12.518 699 HG2 ARG 93 2HG ARG 93 4.051 16.365 13.138 700 HG3 ARG 93 3HG ARG 93 3.610 15.210 11.879 701 HD2 ARG 93 2HD ARG 93 3.772 16.746 10.250 702 HD3 ARG 93 3HD ARG 93 2.992 17.994 11.221 703 HE ARG 93 HE ARG 93 5.601 17.507 12.183 704 HH11 ARG 93 1HH1 ARG 93 3.907 18.980 9.522 705 HH12 ARG 93 2HH1 ARG 93 5.160 20.129 9.190 706 HH21 ARG 93 1HH2 ARG 93 7.258 19.016 11.756 707 HH22 ARG 93 2HH2 ARG 93 7.066 20.149 10.461 708 H VAL 94 H VAL 94 1.139 18.389 14.517 709 HA VAL 94 HA VAL 94 3.576 19.291 15.674 710 HB VAL 94 HB VAL 94 0.885 20.661 15.758 711 HG11 VAL 94 1HG1 VAL 94 3.356 21.332 16.912 712 HG12 VAL 94 2HG1 VAL 94 3.155 22.396 15.519 713 HG13 VAL 94 3HG1 VAL 94 1.918 22.343 16.775 714 HG21 VAL 94 1HG2 VAL 94 2.958 20.460 13.611 715 HG22 VAL 94 2HG2 VAL 94 1.202 20.344 13.486 716 HG23 VAL 94 3HG2 VAL 94 1.966 21.912 13.753 717 H GLY 95 H GLY 95 0.297 19.102 17.086 718 HA2 GLY 95 2HA GLY 95 1.115 19.554 19.735 719 HA3 GLY 95 3HA GLY 95 -0.398 18.802 19.252 Start of MODEL 20 1 H1 MET 1 H MET 1 8.860 -3.252 0.829 2 HA MET 1 HA MET 1 8.047 -4.072 -1.265 3 HB2 MET 1 2HB MET 1 7.518 -5.610 1.168 4 HB3 MET 1 3HB MET 1 6.522 -6.103 -0.195 5 HG2 MET 1 2HG MET 1 8.214 -7.178 -1.127 6 HG3 MET 1 3HG MET 1 9.244 -5.752 -1.029 7 HE1 MET 1 1HE MET 1 10.819 -9.214 0.465 8 HE2 MET 1 2HE MET 1 9.085 -9.476 0.278 9 HE3 MET 1 3HE MET 1 10.000 -8.682 -1.004 10 H SER 2 H SER 2 6.674 -2.464 -2.135 11 HA SER 2 HA SER 2 3.835 -3.173 -1.973 12 HB2 SER 2 2HB SER 2 3.505 -1.314 -0.717 13 HB3 SER 2 3HB SER 2 5.057 -0.611 -1.175 14 HG SER 2 HG SER 2 3.576 0.671 -2.131 15 H GLN 3 H GLN 3 2.699 -2.928 -3.866 16 HA GLN 3 HA GLN 3 4.330 -2.426 -6.243 17 HB2 GLN 3 2HB GLN 3 1.637 -3.748 -5.890 18 HB3 GLN 3 3HB GLN 3 2.392 -3.469 -7.453 19 HG2 GLN 3 2HG GLN 3 4.238 -4.788 -5.705 20 HG3 GLN 3 3HG GLN 3 2.713 -5.670 -5.752 21 HE21 GLN 3 1HE2 GLN 3 2.379 -6.999 -7.394 22 HE22 GLN 3 2HE2 GLN 3 3.292 -7.041 -8.860 23 H ASN 4 H ASN 4 4.191 -0.075 -5.609 24 HA ASN 4 HA ASN 4 1.724 1.114 -6.698 25 HB2 ASN 4 2HB ASN 4 2.028 3.012 -5.251 26 HB3 ASN 4 3HB ASN 4 2.120 1.557 -4.262 27 HD21 ASN 4 1HD2 ASN 4 3.225 4.330 -3.985 28 HD22 ASN 4 2HD2 ASN 4 4.907 4.095 -3.665 29 H GLU 5 H GLU 5 1.949 3.022 -7.969 30 HA GLU 5 HA GLU 5 4.450 4.120 -8.698 31 HB2 GLU 5 2HB GLU 5 4.693 1.930 -9.818 32 HB3 GLU 5 3HB GLU 5 3.222 2.245 -10.727 33 HG2 GLU 5 2HG GLU 5 4.226 3.992 -11.946 34 HG3 GLU 5 3HG GLU 5 5.611 4.057 -10.856 35 H GLU 6 H GLU 6 1.469 3.305 -10.484 36 HA GLU 6 HA GLU 6 0.352 5.895 -10.254 37 HB2 GLU 6 2HB GLU 6 2.323 6.244 -11.857 38 HB3 GLU 6 3HB GLU 6 1.393 5.307 -13.018 39 HG2 GLU 6 2HG GLU 6 -0.462 7.106 -12.275 40 HG3 GLU 6 3HG GLU 6 1.004 8.059 -12.057 41 H ALA 7 H ALA 7 -1.771 5.830 -10.741 42 HA ALA 7 HA ALA 7 -2.894 3.309 -11.569 43 HB1 ALA 7 1HB ALA 7 -4.938 5.226 -11.429 44 HB2 ALA 7 2HB ALA 7 -4.506 4.018 -10.218 45 HB3 ALA 7 3HB ALA 7 -3.796 5.630 -10.146 46 HA PRO 8 HA PRO 8 -3.655 4.100 -15.817 47 HB2 PRO 8 2HB PRO 8 -6.127 3.037 -16.175 48 HB3 PRO 8 3HB PRO 8 -4.685 2.049 -15.916 49 HG2 PRO 8 2HG PRO 8 -6.797 2.868 -13.959 50 HG3 PRO 8 3HG PRO 8 -6.017 1.289 -14.168 51 HD2 PRO 8 2HD PRO 8 -5.296 3.024 -12.218 52 HD3 PRO 8 3HD PRO 8 -4.139 1.921 -12.991 53 H ALA 9 H ALA 9 -6.323 5.004 -13.662 54 HA ALA 9 HA ALA 9 -7.842 6.701 -13.724 55 HB1 ALA 9 1HB ALA 9 -5.393 7.809 -13.868 56 HB2 ALA 9 2HB ALA 9 -6.112 8.453 -15.344 57 HB3 ALA 9 3HB ALA 9 -6.887 8.743 -13.787 58 H ARG 10 H ARG 10 -8.093 4.782 -15.801 59 HA ARG 10 HA ARG 10 -9.211 6.466 -17.945 60 HB2 ARG 10 2HB ARG 10 -7.730 3.856 -18.111 61 HB3 ARG 10 3HB ARG 10 -8.853 4.337 -19.376 62 HG2 ARG 10 2HG ARG 10 -7.517 6.040 -20.111 63 HG3 ARG 10 3HG ARG 10 -6.749 6.262 -18.538 64 HD2 ARG 10 2HD ARG 10 -5.141 4.757 -18.977 65 HD3 ARG 10 3HD ARG 10 -6.266 3.643 -19.753 66 HE ARG 10 HE ARG 10 -4.552 5.502 -21.046 67 HH11 ARG 10 1HH1 ARG 10 -7.692 4.014 -21.262 68 HH12 ARG 10 2HH1 ARG 10 -7.793 4.174 -22.984 69 HH21 ARG 10 1HH2 ARG 10 -4.674 5.719 -23.313 70 HH22 ARG 10 2HH2 ARG 10 -6.076 5.143 -24.150 71 H SER 11 H SER 11 -9.503 3.438 -16.137 72 HA SER 11 HA SER 11 -12.160 2.934 -17.158 73 HB2 SER 11 2HB SER 11 -10.415 1.535 -15.132 74 HB3 SER 11 3HB SER 11 -12.077 1.038 -15.446 75 HG SER 11 HG SER 11 -11.443 0.806 -17.676 76 H GLY 12 H GLY 12 -14.043 2.736 -15.794 77 HA2 GLY 12 2HA GLY 12 -15.394 3.282 -13.981 78 HA3 GLY 12 3HA GLY 12 -13.985 3.945 -13.166 79 H GLY 13 H GLY 13 -13.737 6.101 -13.093 80 HA2 GLY 13 2HA GLY 13 -15.107 7.776 -15.056 81 HA3 GLY 13 3HA GLY 13 -15.593 7.960 -13.378 82 H LYS 14 H LYS 14 -14.897 10.170 -13.556 83 HA LYS 14 HA LYS 14 -12.046 10.438 -12.974 84 HB2 LYS 14 2HB LYS 14 -12.408 10.932 -15.407 85 HB3 LYS 14 3HB LYS 14 -13.459 12.259 -14.929 86 HG2 LYS 14 2HG LYS 14 -11.269 12.872 -13.499 87 HG3 LYS 14 3HG LYS 14 -10.522 12.049 -14.871 88 HD2 LYS 14 2HD LYS 14 -11.963 13.553 -16.343 89 HD3 LYS 14 3HD LYS 14 -12.274 14.494 -14.882 90 HE2 LYS 14 2HE LYS 14 -10.158 15.315 -14.799 91 HE3 LYS 14 3HE LYS 14 -9.448 13.852 -15.479 92 HZ1 LYS 14 1HZ LYS 14 -10.902 14.833 -17.536 93 HZ2 LYS 14 2HZ LYS 14 -9.239 15.061 -17.325 94 HZ3 LYS 14 3HZ LYS 14 -10.329 16.246 -16.805 95 H VAL 15 H VAL 15 -11.590 11.940 -11.438 96 HA VAL 15 HA VAL 15 -13.543 13.961 -10.719 97 HB VAL 15 HB VAL 15 -14.357 12.102 -9.404 98 HG11 VAL 15 1HG1 VAL 15 -11.507 11.869 -8.461 99 HG12 VAL 15 2HG1 VAL 15 -12.869 11.083 -7.660 100 HG13 VAL 15 3HG1 VAL 15 -12.461 10.664 -9.325 101 HG21 VAL 15 1HG2 VAL 15 -13.842 14.549 -8.438 102 HG22 VAL 15 2HG2 VAL 15 -14.630 13.286 -7.492 103 HG23 VAL 15 3HG2 VAL 15 -12.902 13.583 -7.300 104 H THR 16 H THR 16 -12.646 15.714 -9.718 105 HA THR 16 HA THR 16 -9.772 15.553 -9.083 106 HB THR 16 HB THR 16 -11.216 17.865 -10.394 107 HG1 THR 16 HG1 THR 16 -9.631 17.311 -12.092 108 HG21 THR 16 1HG2 THR 16 -8.535 18.361 -10.607 109 HG22 THR 16 2HG2 THR 16 -8.649 17.659 -8.993 110 HG23 THR 16 3HG2 THR 16 -9.604 19.083 -9.406 111 H PHE 17 H PHE 17 -9.081 16.542 -7.243 112 HA PHE 17 HA PHE 17 -11.141 17.869 -5.605 113 HB2 PHE 17 2HB PHE 17 -8.790 16.231 -4.633 114 HB3 PHE 17 3HB PHE 17 -10.019 16.985 -3.623 115 HD1 PHE 17 HD1 PHE 17 -12.495 16.279 -4.219 116 HD2 PHE 17 HD2 PHE 17 -9.018 14.008 -5.147 117 HE1 PHE 17 HE1 PHE 17 -13.869 14.244 -4.369 118 HE2 PHE 17 HE2 PHE 17 -10.386 11.969 -5.299 119 HZ PHE 17 HZ PHE 17 -12.815 12.085 -4.911 120 H ARG 18 H ARG 18 -10.441 19.567 -4.206 121 HA ARG 18 HA ARG 18 -7.863 20.772 -4.959 122 HB2 ARG 18 2HB ARG 18 -8.963 23.000 -4.786 123 HB3 ARG 18 3HB ARG 18 -9.573 22.015 -6.109 124 HG2 ARG 18 2HG ARG 18 -11.602 22.495 -5.346 125 HG3 ARG 18 3HG ARG 18 -11.254 21.381 -4.022 126 HD2 ARG 18 2HD ARG 18 -11.945 23.341 -2.953 127 HD3 ARG 18 3HD ARG 18 -10.185 23.395 -2.859 128 HE ARG 18 HE ARG 18 -10.210 25.264 -4.177 129 HH11 ARG 18 1HH1 ARG 18 -13.292 23.662 -4.417 130 HH12 ARG 18 2HH1 ARG 18 -14.030 24.937 -5.329 131 HH21 ARG 18 1HH2 ARG 18 -11.171 26.949 -5.377 132 HH22 ARG 18 2HH2 ARG 18 -12.823 26.805 -5.876 133 H ILE 19 H ILE 19 -6.587 21.210 -3.287 134 HA ILE 19 HA ILE 19 -7.817 21.516 -0.626 135 HB ILE 19 HB ILE 19 -5.116 20.278 -1.152 136 HG12 ILE 19 2HG1 ILE 19 -6.877 18.359 -0.088 137 HG13 ILE 19 3HG1 ILE 19 -7.759 19.141 -1.396 138 HG21 ILE 19 1HG2 ILE 19 -5.593 19.443 1.244 139 HG22 ILE 19 2HG2 ILE 19 -5.078 21.112 1.013 140 HG23 ILE 19 3HG2 ILE 19 -6.780 20.746 1.291 141 HD11 ILE 19 1HD1 ILE 19 -6.458 18.235 -2.983 142 HD12 ILE 19 2HD1 ILE 19 -4.990 18.381 -2.016 143 HD13 ILE 19 3HD1 ILE 19 -6.108 17.048 -1.726 144 H ILE 20 H ILE 20 -7.267 23.282 0.494 145 HA ILE 20 HA ILE 20 -5.241 25.057 -0.665 146 HB ILE 20 HB ILE 20 -7.478 25.614 1.283 147 HG12 ILE 20 2HG1 ILE 20 -8.043 27.232 -0.692 148 HG13 ILE 20 3HG1 ILE 20 -7.008 26.160 -1.630 149 HG21 ILE 20 1HG2 ILE 20 -6.459 28.040 0.421 150 HG22 ILE 20 2HG2 ILE 20 -6.250 27.319 2.016 151 HG23 ILE 20 3HG2 ILE 20 -5.028 27.070 0.770 152 HD11 ILE 20 1HD1 ILE 20 -9.656 25.828 -1.346 153 HD12 ILE 20 2HD1 ILE 20 -8.527 24.507 -1.653 154 HD13 ILE 20 3HD1 ILE 20 -9.073 24.837 -0.009 155 H LEU 21 H LEU 21 -3.287 24.912 0.206 156 HA LEU 21 HA LEU 21 -3.012 24.147 3.019 157 HB2 LEU 21 2HB LEU 21 -1.672 22.808 1.630 158 HB3 LEU 21 3HB LEU 21 -1.121 24.193 0.690 159 HG LEU 21 HG LEU 21 0.144 24.955 2.712 160 HD11 LEU 21 1HD1 LEU 21 -0.927 23.905 4.510 161 HD12 LEU 21 2HD1 LEU 21 0.620 23.072 4.363 162 HD13 LEU 21 3HD1 LEU 21 -0.849 22.318 3.745 163 HD21 LEU 21 1HD2 LEU 21 1.320 22.338 2.301 164 HD22 LEU 21 2HD2 LEU 21 1.920 23.932 1.842 165 HD23 LEU 21 3HD2 LEU 21 0.795 23.076 0.787 166 H THR 22 H THR 22 -2.682 25.651 4.504 167 HA THR 22 HA THR 22 -2.247 28.385 3.828 168 HB THR 22 HB THR 22 -3.547 27.867 5.794 169 HG1 THR 22 HG1 THR 22 -1.980 29.725 5.755 170 HG21 THR 22 1HG2 THR 22 -1.236 26.158 6.421 171 HG22 THR 22 2HG2 THR 22 -2.935 25.972 6.855 172 HG23 THR 22 3HG2 THR 22 -1.898 27.048 7.792 173 H SER 23 H SER 23 -0.171 25.731 4.468 174 HA SER 23 HA SER 23 2.087 27.305 5.317 175 HB2 SER 23 2HB SER 23 1.707 24.912 5.999 176 HB3 SER 23 3HB SER 23 2.082 24.442 4.342 177 HG SER 23 HG SER 23 3.764 25.540 6.308 178 H GLU 24 H GLU 24 0.595 26.823 2.391 179 HA GLU 24 HA GLU 24 3.095 27.336 0.915 180 HB2 GLU 24 2HB GLU 24 2.121 25.183 0.295 181 HB3 GLU 24 3HB GLU 24 0.584 25.961 -0.056 182 HG2 GLU 24 2HG GLU 24 1.248 26.648 -2.076 183 HG3 GLU 24 3HG GLU 24 2.858 27.088 -1.510 184 H ARG 25 H ARG 25 2.633 29.600 1.556 185 HA ARG 25 HA ARG 25 0.366 30.991 0.619 186 HB2 ARG 25 2HB ARG 25 1.678 33.024 1.040 187 HB3 ARG 25 3HB ARG 25 1.801 31.888 2.377 188 HG2 ARG 25 2HG ARG 25 3.972 31.109 1.257 189 HG3 ARG 25 3HG ARG 25 3.861 32.606 0.328 190 HD2 ARG 25 2HD ARG 25 4.423 33.885 2.090 191 HD3 ARG 25 3HD ARG 25 3.467 32.924 3.217 192 HE ARG 25 HE ARG 25 5.686 31.407 2.496 193 HH11 ARG 25 1HH1 ARG 25 4.983 34.375 4.174 194 HH12 ARG 25 2HH1 ARG 25 6.372 34.274 5.204 195 HH21 ARG 25 1HH2 ARG 25 7.518 31.263 3.846 196 HH22 ARG 25 2HH2 ARG 25 7.814 32.504 5.016 197 H SER 26 H SER 26 3.281 29.959 -0.930 198 HA SER 26 HA SER 26 3.443 31.775 -3.043 199 HB2 SER 26 2HB SER 26 4.259 28.892 -2.756 200 HB3 SER 26 3HB SER 26 4.493 29.756 -4.275 201 HG SER 26 HG SER 26 5.621 30.307 -1.743 202 H GLN 27 H GLN 27 1.385 28.980 -2.570 203 HA GLN 27 HA GLN 27 -0.520 29.849 -4.456 204 HB2 GLN 27 2HB GLN 27 1.168 29.104 -6.077 205 HB3 GLN 27 3HB GLN 27 1.183 27.510 -5.334 206 HG2 GLN 27 2HG GLN 27 -1.469 27.866 -5.901 207 HG3 GLN 27 3HG GLN 27 -0.676 28.670 -7.255 208 HE21 GLN 27 1HE2 GLN 27 -0.519 27.377 -8.928 209 HE22 GLN 27 2HE2 GLN 27 -0.160 25.687 -8.887 210 HA PRO 28 HA PRO 28 -1.853 26.780 -1.236 211 HB2 PRO 28 2HB PRO 28 -3.871 28.317 -0.270 212 HB3 PRO 28 3HB PRO 28 -2.206 28.442 0.310 213 HG2 PRO 28 2HG PRO 28 -3.655 30.157 -1.670 214 HG3 PRO 28 3HG PRO 28 -2.570 30.640 -0.354 215 HD2 PRO 28 2HD PRO 28 -1.761 30.508 -2.935 216 HD3 PRO 28 3HD PRO 28 -0.673 30.166 -1.575 217 H PHE 29 H PHE 29 -2.444 25.730 -3.359 218 HA PHE 29 HA PHE 29 -5.177 25.122 -3.414 219 HB2 PHE 29 2HB PHE 29 -5.520 27.298 -4.406 220 HB3 PHE 29 3HB PHE 29 -4.254 27.003 -5.593 221 HD1 PHE 29 HD1 PHE 29 -7.478 25.538 -4.427 222 HD2 PHE 29 HD2 PHE 29 -4.864 26.309 -7.696 223 HE1 PHE 29 HE1 PHE 29 -9.154 24.623 -5.978 224 HE2 PHE 29 HE2 PHE 29 -6.536 25.396 -9.253 225 HZ PHE 29 HZ PHE 29 -8.684 24.552 -8.395 226 H ARG 30 H ARG 30 -4.013 23.106 -3.334 227 HA ARG 30 HA ARG 30 -2.646 22.291 -5.780 228 HB2 ARG 30 2HB ARG 30 -1.621 21.740 -3.610 229 HB3 ARG 30 3HB ARG 30 -3.047 20.805 -3.178 230 HG2 ARG 30 2HG ARG 30 -1.185 19.395 -3.922 231 HG3 ARG 30 3HG ARG 30 -2.604 19.236 -4.960 232 HD2 ARG 30 2HD ARG 30 -0.587 19.359 -6.302 233 HD3 ARG 30 3HD ARG 30 -1.587 20.787 -6.566 234 HE ARG 30 HE ARG 30 0.261 21.369 -4.550 235 HH11 ARG 30 1HH1 ARG 30 0.191 20.675 -7.961 236 HH12 ARG 30 2HH1 ARG 30 1.613 21.602 -8.311 237 HH21 ARG 30 1HH2 ARG 30 2.133 22.591 -4.998 238 HH22 ARG 30 2HH2 ARG 30 2.717 22.690 -6.625 239 H VAL 31 H VAL 31 -3.674 21.265 -7.355 240 HA VAL 31 HA VAL 31 -6.272 20.018 -6.768 241 HB VAL 31 HB VAL 31 -6.618 20.127 -9.254 242 HG11 VAL 31 1HG1 VAL 31 -6.106 22.897 -8.275 243 HG12 VAL 31 2HG1 VAL 31 -7.495 22.250 -9.149 244 HG13 VAL 31 3HG1 VAL 31 -7.284 21.889 -7.436 245 HG21 VAL 31 1HG2 VAL 31 -3.888 20.793 -9.235 246 HG22 VAL 31 2HG2 VAL 31 -4.972 20.718 -10.625 247 HG23 VAL 31 3HG2 VAL 31 -4.749 22.240 -9.761 248 H ILE 32 H ILE 32 -6.558 17.887 -7.000 249 HA ILE 32 HA ILE 32 -4.394 16.338 -8.269 250 HB ILE 32 HB ILE 32 -5.150 14.455 -6.746 251 HG12 ILE 32 2HG1 ILE 32 -6.421 16.740 -5.224 252 HG13 ILE 32 3HG1 ILE 32 -7.315 15.518 -6.120 253 HG21 ILE 32 1HG2 ILE 32 -4.143 16.498 -4.907 254 HG22 ILE 32 2HG2 ILE 32 -3.430 14.964 -5.402 255 HG23 ILE 32 3HG2 ILE 32 -3.258 16.388 -6.428 256 HD11 ILE 32 1HD1 ILE 32 -7.078 15.238 -3.593 257 HD12 ILE 32 2HD1 ILE 32 -6.755 13.837 -4.614 258 HD13 ILE 32 3HD1 ILE 32 -5.415 14.762 -3.936 259 H SER 33 H SER 33 -4.938 15.046 -9.907 260 HA SER 33 HA SER 33 -7.798 14.684 -10.482 261 HB2 SER 33 2HB SER 33 -6.541 15.839 -12.237 262 HB3 SER 33 3HB SER 33 -5.405 14.494 -12.329 263 HG SER 33 HG SER 33 -7.018 14.376 -13.951 264 H ILE 34 H ILE 34 -8.649 12.753 -10.133 265 HA ILE 34 HA ILE 34 -7.128 10.345 -10.709 266 HB ILE 34 HB ILE 34 -7.605 9.305 -8.541 267 HG12 ILE 34 2HG1 ILE 34 -8.511 12.064 -7.689 268 HG13 ILE 34 3HG1 ILE 34 -9.578 10.692 -7.968 269 HG21 ILE 34 1HG2 ILE 34 -6.151 11.880 -8.020 270 HG22 ILE 34 2HG2 ILE 34 -5.828 10.278 -7.359 271 HG23 ILE 34 3HG2 ILE 34 -5.480 10.619 -9.053 272 HD11 ILE 34 1HD1 ILE 34 -8.102 11.405 -5.620 273 HD12 ILE 34 2HD1 ILE 34 -9.335 10.162 -5.838 274 HD13 ILE 34 3HD1 ILE 34 -7.642 9.792 -6.165 275 H ALA 35 H ALA 35 -8.429 8.469 -10.926 276 HA ALA 35 HA ALA 35 -10.989 8.940 -12.016 277 HB1 ALA 35 1HB ALA 35 -10.508 6.185 -11.194 278 HB2 ALA 35 2HB ALA 35 -10.794 6.857 -12.800 279 HB3 ALA 35 3HB ALA 35 -9.172 6.884 -12.108 280 H GLU 36 H GLU 36 -13.046 8.350 -11.274 281 HA GLU 36 HA GLU 36 -13.583 8.880 -8.574 282 HB2 GLU 36 2HB GLU 36 -15.087 8.346 -10.954 283 HB3 GLU 36 3HB GLU 36 -15.747 7.389 -9.635 284 HG2 GLU 36 2HG GLU 36 -15.646 9.626 -8.317 285 HG3 GLU 36 3HG GLU 36 -15.577 10.351 -9.922 286 H GLU 37 H GLU 37 -12.733 5.961 -10.193 287 HA GLU 37 HA GLU 37 -13.363 4.418 -7.763 288 HB2 GLU 37 2HB GLU 37 -14.163 3.910 -10.365 289 HB3 GLU 37 3HB GLU 37 -12.786 2.838 -10.147 290 HG2 GLU 37 2HG GLU 37 -14.337 2.600 -7.823 291 HG3 GLU 37 3HG GLU 37 -15.464 2.574 -9.178 292 H ALA 38 H ALA 38 -10.902 5.984 -9.012 293 HA ALA 38 HA ALA 38 -8.874 3.920 -8.978 294 HB1 ALA 38 1HB ALA 38 -8.893 6.858 -9.500 295 HB2 ALA 38 2HB ALA 38 -7.370 6.049 -9.128 296 HB3 ALA 38 3HB ALA 38 -8.324 5.537 -10.521 297 HA PRO 39 HA PRO 39 -7.694 4.162 -4.758 298 HB2 PRO 39 2HB PRO 39 -5.004 3.838 -4.923 299 HB3 PRO 39 3HB PRO 39 -6.149 2.523 -5.212 300 HG2 PRO 39 2HG PRO 39 -4.708 4.247 -7.189 301 HG3 PRO 39 3HG PRO 39 -4.986 2.496 -7.225 302 HD2 PRO 39 2HD PRO 39 -6.474 4.238 -8.669 303 HD3 PRO 39 3HD PRO 39 -7.139 2.728 -8.014 304 H LEU 40 H LEU 40 -6.652 5.455 -3.171 305 HA LEU 40 HA LEU 40 -6.492 8.203 -3.811 306 HB2 LEU 40 2HB LEU 40 -6.132 8.577 -1.549 307 HB3 LEU 40 3HB LEU 40 -7.078 7.090 -1.581 308 HG LEU 40 HG LEU 40 -4.431 6.232 -1.576 309 HD11 LEU 40 1HD1 LEU 40 -3.516 8.317 -0.978 310 HD12 LEU 40 2HD1 LEU 40 -3.608 7.392 0.520 311 HD13 LEU 40 3HD1 LEU 40 -4.806 8.641 0.182 312 HD21 LEU 40 1HD2 LEU 40 -5.968 6.502 0.963 313 HD22 LEU 40 2HD2 LEU 40 -5.050 5.131 0.339 314 HD23 LEU 40 3HD2 LEU 40 -6.632 5.517 -0.341 315 H THR 41 H THR 41 -4.178 5.664 -3.853 316 HA THR 41 HA THR 41 -1.781 6.937 -3.367 317 HB THR 41 HB THR 41 -2.262 4.886 -5.537 318 HG1 THR 41 HG1 THR 41 -1.823 3.380 -3.886 319 HG21 THR 41 1HG2 THR 41 0.180 5.953 -4.180 320 HG22 THR 41 2HG2 THR 41 -0.087 5.592 -5.885 321 HG23 THR 41 3HG2 THR 41 0.151 4.279 -4.733 322 H ALA 42 H ALA 42 -3.820 7.090 -6.219 323 HA ALA 42 HA ALA 42 -2.012 8.255 -8.009 324 HB1 ALA 42 1HB ALA 42 -4.063 7.401 -8.847 325 HB2 ALA 42 2HB ALA 42 -5.007 8.466 -7.805 326 HB3 ALA 42 3HB ALA 42 -4.073 9.140 -9.140 327 H ALA 43 H ALA 43 -4.230 9.747 -5.677 328 HA ALA 43 HA ALA 43 -3.474 12.422 -6.375 329 HB1 ALA 43 1HB ALA 43 -5.615 12.335 -5.524 330 HB2 ALA 43 2HB ALA 43 -5.177 11.196 -4.249 331 HB3 ALA 43 3HB ALA 43 -4.695 12.888 -4.125 332 H LEU 44 H LEU 44 -2.364 10.024 -4.114 333 HA LEU 44 HA LEU 44 -1.091 11.519 -2.189 334 HB2 LEU 44 2HB LEU 44 -1.277 8.992 -2.401 335 HB3 LEU 44 3HB LEU 44 0.146 9.080 -3.436 336 HG LEU 44 HG LEU 44 0.999 10.425 -1.225 337 HD11 LEU 44 1HD1 LEU 44 -0.699 10.057 0.272 338 HD12 LEU 44 2HD1 LEU 44 0.334 8.665 0.594 339 HD13 LEU 44 3HD1 LEU 44 -1.106 8.480 -0.407 340 HD21 LEU 44 1HD2 LEU 44 1.252 7.457 -1.276 341 HD22 LEU 44 2HD2 LEU 44 2.480 8.691 -0.991 342 HD23 LEU 44 3HD2 LEU 44 1.891 8.393 -2.627 343 H ARG 45 H ARG 45 -0.166 10.999 -5.512 344 HA ARG 45 HA ARG 45 2.508 11.656 -5.500 345 HB2 ARG 45 2HB ARG 45 1.160 10.946 -7.488 346 HB3 ARG 45 3HB ARG 45 0.510 12.578 -7.570 347 HG2 ARG 45 2HG ARG 45 2.251 13.232 -8.763 348 HG3 ARG 45 3HG ARG 45 3.347 12.744 -7.469 349 HD2 ARG 45 2HD ARG 45 2.299 11.014 -9.705 350 HD3 ARG 45 3HD ARG 45 3.948 11.606 -9.512 351 HE ARG 45 HE ARG 45 3.117 10.084 -7.258 352 HH11 ARG 45 1HH1 ARG 45 4.235 9.806 -10.543 353 HH12 ARG 45 2HH1 ARG 45 4.922 8.232 -10.314 354 HH21 ARG 45 1HH2 ARG 45 4.017 8.011 -6.944 355 HH22 ARG 45 2HH2 ARG 45 4.797 7.212 -8.267 356 H PHE 46 H PHE 46 -0.191 13.942 -5.977 357 HA PHE 46 HA PHE 46 1.588 16.188 -5.525 358 HB2 PHE 46 2HB PHE 46 -1.230 15.851 -6.446 359 HB3 PHE 46 3HB PHE 46 -0.763 17.398 -5.746 360 HD1 PHE 46 HD1 PHE 46 -1.118 15.695 -8.721 361 HD2 PHE 46 HD2 PHE 46 1.613 18.259 -6.701 362 HE1 PHE 46 HE1 PHE 46 -0.164 16.378 -10.884 363 HE2 PHE 46 HE2 PHE 46 2.570 18.947 -8.860 364 HZ PHE 46 HZ PHE 46 1.681 18.007 -10.956 365 H ALA 47 H ALA 47 -0.683 14.283 -3.763 366 HA ALA 47 HA ALA 47 -1.488 16.070 -1.775 367 HB1 ALA 47 1HB ALA 47 -2.299 14.243 -0.630 368 HB2 ALA 47 2HB ALA 47 -2.212 13.615 -2.276 369 HB3 ALA 47 3HB ALA 47 -0.953 13.209 -1.110 370 H ALA 48 H ALA 48 1.499 14.300 -2.190 371 HA ALA 48 HA ALA 48 2.506 14.624 0.434 372 HB1 ALA 48 1HB ALA 48 3.299 13.160 -1.649 373 HB2 ALA 48 2HB ALA 48 4.417 14.514 -1.824 374 HB3 ALA 48 3HB ALA 48 4.378 13.590 -0.322 375 H GLU 49 H GLU 49 2.384 16.711 -2.343 376 HA GLU 49 HA GLU 49 4.356 18.558 -1.322 377 HB2 GLU 49 2HB GLU 49 2.423 19.232 -3.511 378 HB3 GLU 49 3HB GLU 49 4.093 19.744 -3.309 379 HG2 GLU 49 2HG GLU 49 4.822 17.440 -3.814 380 HG3 GLU 49 3HG GLU 49 3.141 17.006 -4.115 381 H GLU 50 H GLU 50 0.831 18.450 -1.659 382 HA GLU 50 HA GLU 50 0.340 21.036 -0.635 383 HB2 GLU 50 2HB GLU 50 -1.914 20.493 -0.713 384 HB3 GLU 50 3HB GLU 50 -1.233 19.416 -1.924 385 HG2 GLU 50 2HG GLU 50 -2.403 17.843 -0.859 386 HG3 GLU 50 3HG GLU 50 -1.065 17.867 0.288 387 H PHE 51 H PHE 51 1.178 18.068 0.869 388 HA PHE 51 HA PHE 51 0.399 19.112 3.506 389 HB2 PHE 51 2HB PHE 51 0.467 16.430 2.334 390 HB3 PHE 51 3HB PHE 51 1.222 16.514 3.922 391 HD1 PHE 51 HD1 PHE 51 -0.330 18.319 5.452 392 HD2 PHE 51 HD2 PHE 51 -1.642 15.556 2.492 393 HE1 PHE 51 HE1 PHE 51 -2.549 18.244 6.511 394 HE2 PHE 51 HE2 PHE 51 -3.864 15.477 3.546 395 HZ PHE 51 HZ PHE 51 -4.320 16.822 5.558 396 H GLY 52 H GLY 52 3.071 18.308 1.489 397 HA2 GLY 52 2HA GLY 52 5.300 18.880 1.799 398 HA3 GLY 52 3HA GLY 52 4.912 19.385 3.437 399 H ILE 53 H ILE 53 3.596 16.425 3.211 400 HA ILE 53 HA ILE 53 5.901 14.750 3.405 401 HB ILE 53 HB ILE 53 5.096 14.152 5.893 402 HG12 ILE 53 2HG1 ILE 53 4.984 17.154 5.946 403 HG13 ILE 53 3HG1 ILE 53 3.521 16.213 5.675 404 HG21 ILE 53 1HG2 ILE 53 7.136 14.949 6.590 405 HG22 ILE 53 2HG2 ILE 53 7.379 14.881 4.845 406 HG23 ILE 53 3HG2 ILE 53 7.013 16.420 5.624 407 HD11 ILE 53 1HD1 ILE 53 4.026 16.939 8.053 408 HD12 ILE 53 2HD1 ILE 53 3.627 15.240 7.799 409 HD13 ILE 53 3HD1 ILE 53 5.306 15.726 8.032 410 H ALA 54 H ALA 54 5.176 12.557 4.494 411 HA ALA 54 HA ALA 54 2.374 11.978 3.863 412 HB1 ALA 54 1HB ALA 54 3.150 11.239 1.854 413 HB2 ALA 54 2HB ALA 54 4.755 10.865 2.484 414 HB3 ALA 54 3HB ALA 54 3.404 9.778 2.808 415 H SER 55 H SER 55 2.294 11.921 6.218 416 HA SER 55 HA SER 55 2.306 9.328 7.249 417 HB2 SER 55 2HB SER 55 4.839 10.805 7.567 418 HB3 SER 55 3HB SER 55 4.202 10.099 9.052 419 HG SER 55 HG SER 55 5.307 8.456 8.212 420 H VAL 56 H VAL 56 3.501 12.127 9.040 421 HA VAL 56 HA VAL 56 1.388 11.953 10.944 422 HB VAL 56 HB VAL 56 2.352 13.982 11.932 423 HG11 VAL 56 1HG1 VAL 56 4.845 12.588 11.380 424 HG12 VAL 56 2HG1 VAL 56 3.957 12.764 12.895 425 HG13 VAL 56 3HG1 VAL 56 3.517 11.491 11.756 426 HG21 VAL 56 1HG2 VAL 56 3.953 14.010 9.391 427 HG22 VAL 56 2HG2 VAL 56 2.988 15.305 10.100 428 HG23 VAL 56 3HG2 VAL 56 4.509 14.826 10.853 429 H ASP 57 H ASP 57 1.995 13.918 8.111 430 HA ASP 57 HA ASP 57 -0.115 15.788 8.641 431 HB2 ASP 57 2HB ASP 57 1.986 15.465 6.686 432 HB3 ASP 57 3HB ASP 57 0.458 15.832 5.890 433 H SER 58 H SER 58 -0.142 12.604 7.768 434 HA SER 58 HA SER 58 -2.032 12.444 5.715 435 HB2 SER 58 2HB SER 58 -0.773 10.489 6.402 436 HB3 SER 58 3HB SER 58 -1.497 10.543 8.009 437 HG SER 58 HG SER 58 -2.751 9.940 5.544 438 H MET 59 H MET 59 -2.378 13.394 8.983 439 HA MET 59 HA MET 59 -5.297 13.464 8.641 440 HB2 MET 59 2HB MET 59 -5.471 13.039 11.127 441 HB3 MET 59 3HB MET 59 -4.967 11.664 10.154 442 HG2 MET 59 2HG MET 59 -2.696 13.190 11.070 443 HG3 MET 59 3HG MET 59 -3.712 12.672 12.412 444 HE1 MET 59 1HE MET 59 -4.952 10.433 12.049 445 HE2 MET 59 2HE MET 59 -4.223 8.969 11.389 446 HE3 MET 59 3HE MET 59 -3.766 9.535 12.997 447 H ALA 60 H ALA 60 -4.545 15.667 7.905 448 HA ALA 60 HA ALA 60 -4.790 17.503 10.151 449 HB1 ALA 60 1HB ALA 60 -2.560 17.813 10.179 450 HB2 ALA 60 2HB ALA 60 -2.344 17.192 8.542 451 HB3 ALA 60 3HB ALA 60 -2.891 18.850 8.791 452 H ALA 61 H ALA 61 -6.907 17.473 8.945 453 HA ALA 61 HA ALA 61 -7.055 19.810 7.291 454 HB1 ALA 61 1HB ALA 61 -6.408 17.987 5.682 455 HB2 ALA 61 2HB ALA 61 -7.971 17.241 6.019 456 HB3 ALA 61 3HB ALA 61 -7.899 18.847 5.294 457 H THR 62 H THR 62 -9.218 20.537 6.959 458 HA THR 62 HA THR 62 -11.276 19.087 8.478 459 HB THR 62 HB THR 62 -12.079 21.138 9.495 460 HG1 THR 62 HG1 THR 62 -11.427 23.036 8.812 461 HG21 THR 62 1HG2 THR 62 -10.230 21.599 11.025 462 HG22 THR 62 2HG2 THR 62 -9.103 20.828 9.910 463 HG23 THR 62 3HG2 THR 62 -10.356 19.871 10.699 464 H THR 63 H THR 63 -13.360 19.270 7.711 465 HA THR 63 HA THR 63 -13.596 20.253 4.983 466 HB THR 63 HB THR 63 -14.463 17.996 5.611 467 HG1 THR 63 HG1 THR 63 -16.190 18.216 4.265 468 HG21 THR 63 1HG2 THR 63 -16.091 17.654 7.150 469 HG22 THR 63 2HG2 THR 63 -16.904 19.177 6.785 470 HG23 THR 63 3HG2 THR 63 -15.474 19.165 7.817 471 H LYS 64 H LYS 64 -15.608 21.414 4.351 472 HA LYS 64 HA LYS 64 -15.869 23.812 5.806 473 HB2 LYS 64 2HB LYS 64 -17.838 22.776 3.768 474 HB3 LYS 64 3HB LYS 64 -17.501 24.452 4.181 475 HG2 LYS 64 2HG LYS 64 -15.653 22.543 2.766 476 HG3 LYS 64 3HG LYS 64 -16.505 23.917 2.057 477 HD2 LYS 64 2HD LYS 64 -14.757 25.198 2.556 478 HD3 LYS 64 3HD LYS 64 -15.087 24.921 4.268 479 HE2 LYS 64 2HE LYS 64 -13.437 23.376 4.474 480 HE3 LYS 64 3HE LYS 64 -13.637 22.782 2.827 481 HZ1 LYS 64 1HZ LYS 64 -11.978 24.960 3.828 482 HZ2 LYS 64 2HZ LYS 64 -12.694 25.187 2.313 483 HZ3 LYS 64 3HZ LYS 64 -11.680 23.859 2.578 484 H ASP 65 H ASP 65 -17.579 20.798 5.940 485 HA ASP 65 HA ASP 65 -19.872 21.824 7.329 486 HB2 ASP 65 2HB ASP 65 -19.320 19.489 5.983 487 HB3 ASP 65 3HB ASP 65 -19.298 18.969 7.666 488 H GLY 66 H GLY 66 -16.703 20.797 8.207 489 HA2 GLY 66 2HA GLY 66 -16.480 21.797 10.663 490 HA3 GLY 66 3HA GLY 66 -17.417 20.348 10.995 491 H THR 67 H THR 67 -16.395 18.432 11.172 492 HA THR 67 HA THR 67 -13.513 18.459 11.230 493 HB THR 67 HB THR 67 -15.137 15.960 11.566 494 HG1 THR 67 HG1 THR 67 -15.009 18.189 13.311 495 HG21 THR 67 1HG2 THR 67 -12.764 16.968 13.127 496 HG22 THR 67 2HG2 THR 67 -12.609 16.014 11.652 497 HG23 THR 67 3HG2 THR 67 -13.407 15.328 13.066 498 H GLY 68 H GLY 68 -12.152 17.723 9.717 499 HA2 GLY 68 2HA GLY 68 -13.332 16.325 7.397 500 HA3 GLY 68 3HA GLY 68 -11.955 17.413 7.298 501 H ILE 69 H ILE 69 -13.043 14.228 8.230 502 HA ILE 69 HA ILE 69 -10.251 13.393 8.628 503 HB ILE 69 HB ILE 69 -12.802 11.970 9.401 504 HG12 ILE 69 2HG1 ILE 69 -10.726 13.030 11.295 505 HG13 ILE 69 3HG1 ILE 69 -11.987 14.090 10.676 506 HG21 ILE 69 1HG2 ILE 69 -10.040 11.077 9.179 507 HG22 ILE 69 2HG2 ILE 69 -10.728 10.806 10.779 508 HG23 ILE 69 3HG2 ILE 69 -11.524 10.140 9.353 509 HD11 ILE 69 1HD1 ILE 69 -12.890 13.361 12.656 510 HD12 ILE 69 2HD1 ILE 69 -13.587 12.220 11.505 511 HD13 ILE 69 3HD1 ILE 69 -12.209 11.743 12.497 512 H ASN 70 H ASN 70 -9.304 12.481 6.939 513 HA ASN 70 HA ASN 70 -10.969 11.032 4.992 514 HB2 ASN 70 2HB ASN 70 -9.096 11.421 3.396 515 HB3 ASN 70 3HB ASN 70 -9.823 12.913 3.987 516 HD21 ASN 70 1HD2 ASN 70 -7.516 13.330 2.943 517 HD22 ASN 70 2HD2 ASN 70 -6.256 13.510 4.111 518 HA PRO 71 HA PRO 71 -8.561 7.729 7.115 519 HB2 PRO 71 2HB PRO 71 -10.557 5.893 6.979 520 HB3 PRO 71 3HB PRO 71 -10.437 7.088 8.276 521 HG2 PRO 71 2HG PRO 71 -12.137 7.131 5.813 522 HG3 PRO 71 3HG PRO 71 -12.566 7.571 7.476 523 HD2 PRO 71 2HD PRO 71 -11.969 9.418 5.589 524 HD3 PRO 71 3HD PRO 71 -11.598 9.655 7.309 525 H ALA 72 H ALA 72 -10.815 7.239 4.391 526 HA ALA 72 HA ALA 72 -9.014 5.267 3.229 527 HB1 ALA 72 1HB ALA 72 -10.769 4.612 1.857 528 HB2 ALA 72 2HB ALA 72 -11.584 5.080 3.350 529 HB3 ALA 72 3HB ALA 72 -11.573 6.178 1.970 530 H GLN 73 H GLN 73 -10.016 8.566 2.773 531 HA GLN 73 HA GLN 73 -9.416 10.186 1.288 532 HB2 GLN 73 2HB GLN 73 -6.905 8.598 0.806 533 HB3 GLN 73 3HB GLN 73 -7.115 10.344 0.780 534 HG2 GLN 73 2HG GLN 73 -7.417 10.383 3.174 535 HG3 GLN 73 3HG GLN 73 -7.331 8.623 3.239 536 HE21 GLN 73 1HE2 GLN 73 -5.583 11.548 3.176 537 HE22 GLN 73 2HE2 GLN 73 -3.994 10.871 3.218 538 H THR 74 H THR 74 -10.791 7.739 0.287 539 HA THR 74 HA THR 74 -9.778 7.294 -2.370 540 HB THR 74 HB THR 74 -12.570 6.549 -1.617 541 HG1 THR 74 HG1 THR 74 -11.740 4.752 -0.457 542 HG21 THR 74 1HG2 THR 74 -10.523 5.735 -3.524 543 HG22 THR 74 2HG2 THR 74 -12.269 5.489 -3.568 544 HG23 THR 74 3HG2 THR 74 -11.243 4.370 -2.671 545 H ALA 75 H ALA 75 -11.107 7.661 -4.309 546 HA ALA 75 HA ALA 75 -11.834 10.363 -4.577 547 HB1 ALA 75 1HB ALA 75 -13.053 8.835 -6.646 548 HB2 ALA 75 2HB ALA 75 -11.607 9.842 -6.720 549 HB3 ALA 75 3HB ALA 75 -11.473 8.138 -6.287 550 H GLY 76 H GLY 76 -13.835 7.424 -4.390 551 HA2 GLY 76 2HA GLY 76 -16.319 8.768 -4.608 552 HA3 GLY 76 3HA GLY 76 -16.078 7.143 -3.983 553 H ASN 77 H ASN 77 -14.338 7.856 -1.833 554 HA ASN 77 HA ASN 77 -16.297 8.546 0.118 555 HB2 ASN 77 2HB ASN 77 -13.402 7.834 0.148 556 HB3 ASN 77 3HB ASN 77 -14.061 8.655 1.561 557 HD21 ASN 77 1HD2 ASN 77 -15.326 6.182 -0.646 558 HD22 ASN 77 2HD2 ASN 77 -15.722 5.040 0.589 559 H VAL 78 H VAL 78 -13.259 10.146 -0.856 560 HA VAL 78 HA VAL 78 -13.591 12.472 0.641 561 HB VAL 78 HB VAL 78 -12.187 12.156 -2.016 562 HG11 VAL 78 1HG1 VAL 78 -12.333 14.443 -1.812 563 HG12 VAL 78 2HG1 VAL 78 -12.324 14.395 -0.048 564 HG13 VAL 78 3HG1 VAL 78 -10.831 14.121 -0.947 565 HG21 VAL 78 1HG2 VAL 78 -11.496 10.695 -0.029 566 HG22 VAL 78 2HG2 VAL 78 -10.236 11.632 -0.832 567 HG23 VAL 78 3HG2 VAL 78 -10.909 12.190 0.699 568 H PHE 79 H PHE 79 -14.800 11.619 -2.553 569 HA PHE 79 HA PHE 79 -15.651 14.101 -3.447 570 HB2 PHE 79 2HB PHE 79 -15.723 12.198 -4.916 571 HB3 PHE 79 3HB PHE 79 -16.866 11.366 -3.866 572 HD1 PHE 79 HD1 PHE 79 -19.199 11.853 -3.941 573 HD2 PHE 79 HD2 PHE 79 -16.445 14.105 -6.277 574 HE1 PHE 79 HE1 PHE 79 -21.071 12.808 -5.220 575 HE2 PHE 79 HE2 PHE 79 -18.312 15.064 -7.560 576 HZ PHE 79 HZ PHE 79 -20.629 14.417 -7.032 577 H MET 80 H MET 80 -17.240 11.838 -1.253 578 HA MET 80 HA MET 80 -19.509 13.648 -0.948 579 HB2 MET 80 2HB MET 80 -18.955 10.808 -0.251 580 HB3 MET 80 3HB MET 80 -20.105 11.680 0.754 581 HG2 MET 80 2HG MET 80 -21.686 11.664 -0.823 582 HG3 MET 80 3HG MET 80 -20.540 12.010 -2.116 583 HE1 MET 80 1HE MET 80 -20.782 9.956 -4.142 584 HE2 MET 80 2HE MET 80 -22.145 8.965 -3.621 585 HE3 MET 80 3HE MET 80 -22.195 10.716 -3.408 586 H LYS 81 H LYS 81 -16.540 12.907 0.549 587 HA LYS 81 HA LYS 81 -17.262 13.650 3.222 588 HB2 LYS 81 2HB LYS 81 -15.060 12.436 1.994 589 HB3 LYS 81 3HB LYS 81 -14.443 13.955 2.630 590 HG2 LYS 81 2HG LYS 81 -14.138 12.246 4.274 591 HG3 LYS 81 3HG LYS 81 -15.386 13.358 4.841 592 HD2 LYS 81 2HD LYS 81 -16.062 11.075 5.277 593 HD3 LYS 81 3HD LYS 81 -17.110 11.782 4.045 594 HE2 LYS 81 2HE LYS 81 -16.600 10.126 2.658 595 HE3 LYS 81 3HE LYS 81 -14.898 10.583 2.732 596 HZ1 LYS 81 1HZ LYS 81 -15.998 8.250 3.648 597 HZ2 LYS 81 2HZ LYS 81 -15.712 9.143 5.055 598 HZ3 LYS 81 3HZ LYS 81 -14.442 8.824 3.984 599 H TYR 82 H TYR 82 -15.243 15.225 0.736 600 HA TYR 82 HA TYR 82 -15.903 17.810 1.989 601 HB2 TYR 82 2HB TYR 82 -13.443 17.400 0.321 602 HB3 TYR 82 3HB TYR 82 -13.755 18.615 1.555 603 HD1 TYR 82 HD1 TYR 82 -14.602 17.060 3.852 604 HD2 TYR 82 HD2 TYR 82 -11.577 16.201 0.987 605 HE1 TYR 82 HE1 TYR 82 -13.430 15.678 5.514 606 HE2 TYR 82 HE2 TYR 82 -10.396 14.815 2.641 607 HH TYR 82 HH TYR 82 -11.448 13.471 5.002 608 H GLY 83 H GLY 83 -15.698 15.954 -0.944 609 HA2 GLY 83 2HA GLY 83 -16.329 16.402 -3.108 610 HA3 GLY 83 3HA GLY 83 -17.565 17.404 -2.362 611 H GLN 84 H GLN 84 -14.098 17.498 -3.176 612 HA GLN 84 HA GLN 84 -12.756 19.199 -3.879 613 HB2 GLN 84 2HB GLN 84 -15.271 20.174 -5.239 614 HB3 GLN 84 3HB GLN 84 -13.615 20.545 -5.699 615 HG2 GLN 84 2HG GLN 84 -14.010 18.912 -7.201 616 HG3 GLN 84 3HG GLN 84 -13.488 17.895 -5.860 617 HE21 GLN 84 1HE2 GLN 84 -16.419 19.391 -7.179 618 HE22 GLN 84 2HE2 GLN 84 -17.459 18.052 -6.847 619 H GLU 85 H GLU 85 -13.310 19.698 -1.378 620 HA GLU 85 HA GLU 85 -13.136 22.492 -1.126 621 HB2 GLU 85 2HB GLU 85 -15.679 21.984 -1.577 622 HB3 GLU 85 3HB GLU 85 -15.680 21.536 0.123 623 HG2 GLU 85 2HG GLU 85 -16.350 23.776 0.068 624 HG3 GLU 85 3HG GLU 85 -14.664 23.807 0.581 625 H ILE 86 H ILE 86 -11.326 21.646 0.039 626 HA ILE 86 HA ILE 86 -11.998 21.038 2.824 627 HB ILE 86 HB ILE 86 -11.514 18.871 1.862 628 HG12 ILE 86 2HG1 ILE 86 -9.191 19.917 3.496 629 HG13 ILE 86 3HG1 ILE 86 -10.710 19.299 4.136 630 HG21 ILE 86 1HG2 ILE 86 -8.736 19.181 1.220 631 HG22 ILE 86 2HG2 ILE 86 -10.052 18.570 0.220 632 HG23 ILE 86 3HG2 ILE 86 -9.707 20.299 0.262 633 HD11 ILE 86 1HD1 ILE 86 -9.667 17.298 2.461 634 HD12 ILE 86 2HD1 ILE 86 -8.336 17.883 3.460 635 HD13 ILE 86 3HD1 ILE 86 -9.812 17.287 4.219 636 H ARG 87 H ARG 87 -10.562 21.832 4.334 637 HA ARG 87 HA ARG 87 -8.501 23.638 3.266 638 HB2 ARG 87 2HB ARG 87 -10.564 24.020 5.182 639 HB3 ARG 87 3HB ARG 87 -9.028 24.123 6.032 640 HG2 ARG 87 2HG ARG 87 -9.731 25.705 3.569 641 HG3 ARG 87 3HG ARG 87 -9.855 26.303 5.225 642 HD2 ARG 87 2HD ARG 87 -7.309 25.386 5.208 643 HD3 ARG 87 3HD ARG 87 -7.486 25.889 3.527 644 HE ARG 87 HE ARG 87 -7.444 28.063 4.224 645 HH11 ARG 87 1HH1 ARG 87 -8.176 26.025 6.949 646 HH12 ARG 87 2HH1 ARG 87 -8.093 27.315 8.102 647 HH21 ARG 87 1HH2 ARG 87 -7.332 29.770 5.732 648 HH22 ARG 87 2HH2 ARG 87 -7.614 29.445 7.409 649 H LEU 88 H LEU 88 -6.419 23.551 4.005 650 HA LEU 88 HA LEU 88 -5.663 21.112 5.393 651 HB2 LEU 88 2HB LEU 88 -4.559 22.371 3.299 652 HB3 LEU 88 3HB LEU 88 -3.618 23.095 4.601 653 HG LEU 88 HG LEU 88 -2.497 21.163 3.566 654 HD11 LEU 88 1HD1 LEU 88 -1.766 20.178 5.577 655 HD12 LEU 88 2HD1 LEU 88 -3.308 20.480 6.378 656 HD13 LEU 88 3HD1 LEU 88 -2.235 21.826 5.997 657 HD21 LEU 88 1HD2 LEU 88 -4.511 19.357 4.834 658 HD22 LEU 88 2HD2 LEU 88 -3.360 19.023 3.540 659 HD23 LEU 88 3HD2 LEU 88 -4.796 19.994 3.214 660 H ILE 89 H ILE 89 -5.375 21.050 7.512 661 HA ILE 89 HA ILE 89 -4.258 23.385 8.881 662 HB ILE 89 HB ILE 89 -6.705 21.913 9.866 663 HG12 ILE 89 2HG1 ILE 89 -6.401 24.747 8.849 664 HG13 ILE 89 3HG1 ILE 89 -7.195 23.432 7.989 665 HG21 ILE 89 1HG2 ILE 89 -5.279 24.296 11.038 666 HG22 ILE 89 2HG2 ILE 89 -6.713 23.504 11.689 667 HG23 ILE 89 3HG2 ILE 89 -5.173 22.646 11.650 668 HD11 ILE 89 1HD1 ILE 89 -8.133 25.044 10.282 669 HD12 ILE 89 2HD1 ILE 89 -9.016 24.425 8.886 670 HD13 ILE 89 3HD1 ILE 89 -8.618 23.349 10.224 671 HA PRO 90 HA PRO 90 -1.750 20.215 10.679 672 HB2 PRO 90 2HB PRO 90 -0.568 21.749 12.582 673 HB3 PRO 90 3HB PRO 90 -0.131 21.834 10.872 674 HG2 PRO 90 2HG PRO 90 -1.927 23.627 12.459 675 HG3 PRO 90 3HG PRO 90 -0.697 24.057 11.257 676 HD2 PRO 90 2HD PRO 90 -3.341 23.993 10.676 677 HD3 PRO 90 3HD PRO 90 -2.090 23.594 9.480 678 H ARG 91 H ARG 91 -3.476 18.960 11.561 679 HA ARG 91 HA ARG 91 -4.099 19.569 14.376 680 HB2 ARG 91 2HB ARG 91 -5.757 18.717 12.148 681 HB3 ARG 91 3HB ARG 91 -5.901 17.623 13.518 682 HG2 ARG 91 2HG ARG 91 -6.002 20.337 14.429 683 HG3 ARG 91 3HG ARG 91 -7.181 20.084 13.140 684 HD2 ARG 91 2HD ARG 91 -8.133 18.208 14.329 685 HD3 ARG 91 3HD ARG 91 -6.893 18.332 15.577 686 HE ARG 91 HE ARG 91 -8.087 20.773 15.597 687 HH11 ARG 91 1HH1 ARG 91 -9.243 17.500 15.865 688 HH12 ARG 91 2HH1 ARG 91 -10.589 17.919 16.872 689 HH21 ARG 91 1HH2 ARG 91 -9.856 21.338 16.923 690 HH22 ARG 91 2HH2 ARG 91 -10.937 20.102 17.472 691 H ASP 92 H ASP 92 -4.339 17.711 15.811 692 HA ASP 92 HA ASP 92 -3.523 15.838 16.810 693 HB2 ASP 92 2HB ASP 92 -4.517 15.039 14.341 694 HB3 ASP 92 3HB ASP 92 -2.916 14.309 14.407 695 H ARG 93 H ARG 93 -1.684 17.946 15.943 696 HA ARG 93 HA ARG 93 0.772 16.507 16.379 697 HB2 ARG 93 2HB ARG 93 0.289 16.527 13.837 698 HB3 ARG 93 3HB ARG 93 0.691 18.237 13.923 699 HG2 ARG 93 2HG ARG 93 2.663 17.140 13.270 700 HG3 ARG 93 3HG ARG 93 2.878 17.538 14.976 701 HD2 ARG 93 2HD ARG 93 1.632 14.962 14.695 702 HD3 ARG 93 3HD ARG 93 3.123 15.026 13.756 703 HE ARG 93 HE ARG 93 3.714 16.092 16.237 704 HH11 ARG 93 1HH1 ARG 93 2.599 13.054 14.954 705 HH12 ARG 93 2HH1 ARG 93 3.325 12.107 16.210 706 HH21 ARG 93 1HH2 ARG 93 4.675 14.857 17.897 707 HH22 ARG 93 2HH2 ARG 93 4.505 13.134 17.884 708 H VAL 94 H VAL 94 -0.136 19.673 15.005 709 HA VAL 94 HA VAL 94 1.681 21.023 16.800 710 HB VAL 94 HB VAL 94 -0.277 22.202 14.824 711 HG11 VAL 94 1HG1 VAL 94 0.250 23.953 16.241 712 HG12 VAL 94 2HG1 VAL 94 1.888 23.362 16.531 713 HG13 VAL 94 3HG1 VAL 94 1.478 24.107 14.985 714 HG21 VAL 94 1HG2 VAL 94 2.480 21.128 14.546 715 HG22 VAL 94 2HG2 VAL 94 1.129 21.083 13.412 716 HG23 VAL 94 3HG2 VAL 94 2.052 22.571 13.625 717 H GLY 95 H GLY 95 -1.805 20.650 16.415 718 HA2 GLY 95 2HA GLY 95 -3.371 20.757 18.161 719 HA3 GLY 95 3HA GLY 95 -2.167 21.555 19.162
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