NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568771 | 2lt1 | 18194 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1H ALA 1 -12.847 16.947 -3.681 2 H2 ALA 1 2H ALA 1 -13.960 17.915 -4.399 3 H3 ALA 1 3H ALA 1 -14.087 16.286 -4.519 4 HA ALA 1 HA ALA 1 -13.286 17.229 -6.573 5 HB1 ALA 1 3HB ALA 1 -11.057 18.272 -6.650 6 HB2 ALA 1 1HB ALA 1 -12.144 19.201 -5.604 7 HB3 ALA 1 2HB ALA 1 -10.908 18.138 -4.887 8 H GLY 2 H GLY 2 -11.868 16.068 -7.934 9 HA2 GLY 2 1HA GLY 2 -10.670 14.228 -8.655 10 HA3 GLY 2 2HA GLY 2 -10.225 13.845 -6.990 11 H HIS 3 H HIS 3 -11.012 11.954 -8.972 12 HA HIS 3 HA HIS 3 -13.759 11.034 -8.312 13 HB2 HIS 3 1HB HIS 3 -11.553 9.908 -10.086 14 HB3 HIS 3 2HB HIS 3 -13.025 9.023 -9.710 15 HD1 HIS 3 HD1 HIS 3 -12.460 12.692 -10.975 16 HD2 HIS 3 HD2 HIS 3 -14.771 9.203 -11.573 17 HE1 HIS 3 HE1 HIS 3 -14.137 13.244 -12.845 18 HE2 HIS 3 HE2 HIS 3 -15.535 11.113 -13.217 19 H MET 4 H MET 4 -14.262 9.270 -7.076 20 HA MET 4 HA MET 4 -12.388 8.567 -4.943 21 HB2 MET 4 1HB MET 4 -15.304 8.173 -5.500 22 HB3 MET 4 2HB MET 4 -14.537 6.865 -4.606 23 HG2 MET 4 1HG MET 4 -13.549 8.575 -3.039 24 HG3 MET 4 2HG MET 4 -14.506 9.807 -3.849 25 HE1 MET 4 3HE MET 4 -17.198 10.073 -3.459 26 HE2 MET 4 1HE MET 4 -17.503 9.920 -1.713 27 HE3 MET 4 2HE MET 4 -16.039 10.746 -2.287 28 HA PRO 5 HA PRO 5 -10.834 4.694 -6.487 29 HB2 PRO 5 1HB PRO 5 -10.589 3.159 -4.234 30 HB3 PRO 5 2HB PRO 5 -9.620 4.639 -4.482 31 HG2 PRO 5 1HG PRO 5 -12.196 4.418 -2.951 32 HG3 PRO 5 2HG PRO 5 -10.633 5.109 -2.404 33 HD2 PRO 5 1HD PRO 5 -12.592 6.658 -3.361 34 HD3 PRO 5 2HD PRO 5 -10.893 6.994 -3.809 35 H GLU 6 H GLU 6 -12.808 4.450 -7.759 36 HA GLU 6 HA GLU 6 -14.934 2.676 -6.887 37 HB2 GLU 6 1HB GLU 6 -14.645 4.416 -9.020 38 HB3 GLU 6 2HB GLU 6 -14.353 2.866 -9.808 39 HG2 GLU 6 1HG GLU 6 -16.566 2.222 -8.334 40 HG3 GLU 6 2HG GLU 6 -16.833 3.951 -8.501 41 H GLY 7 H GLY 7 -15.411 0.633 -8.378 42 HA2 GLY 7 1HA GLY 7 -12.947 -1.021 -8.681 43 HA3 GLY 7 2HA GLY 7 -14.345 -1.626 -7.788 44 H SER 8 H SER 8 -12.703 -1.891 -10.508 45 HA SER 8 HA SER 8 -14.916 -3.088 -12.049 46 HB2 SER 8 1HB SER 8 -14.319 -0.464 -12.556 47 HB3 SER 8 2HB SER 8 -13.231 -1.258 -13.698 48 HG SER 8 HG SER 8 -15.482 -0.785 -14.402 49 H ALA 9 H ALA 9 -12.309 -3.929 -10.730 50 HA ALA 9 HA ALA 9 -11.014 -5.321 -13.030 51 HB1 ALA 9 3HB ALA 9 -9.312 -4.649 -10.670 52 HB2 ALA 9 1HB ALA 9 -8.930 -4.669 -12.402 53 HB3 ALA 9 2HB ALA 9 -9.783 -3.287 -11.702 54 H SER 10 H SER 10 -9.324 -6.996 -11.746 55 HA SER 10 HA SER 10 -10.882 -9.162 -10.784 56 HB2 SER 10 1HB SER 10 -7.962 -8.989 -10.118 57 HB3 SER 10 2HB SER 10 -8.901 -10.336 -10.773 58 HG SER 10 HG SER 10 -8.235 -9.744 -12.683 59 H LEU 11 H LEU 11 -10.063 -10.341 -8.643 60 HA LEU 11 HA LEU 11 -10.969 -8.776 -6.392 61 HB2 LEU 11 1HB LEU 11 -9.876 -11.573 -6.762 62 HB3 LEU 11 2HB LEU 11 -9.985 -10.881 -5.145 63 HG LEU 11 HG LEU 11 -12.352 -10.538 -5.304 64 HD11 LEU 11 1HD1 LEU 11 -12.722 -10.047 -7.661 65 HD12 LEU 11 2HD1 LEU 11 -13.678 -11.461 -7.216 66 HD13 LEU 11 3HD1 LEU 11 -12.166 -11.672 -8.129 67 HD21 LEU 11 3HD2 LEU 11 -11.332 -12.802 -4.695 68 HD22 LEU 11 1HD2 LEU 11 -11.764 -13.339 -6.332 69 HD23 LEU 11 2HD2 LEU 11 -13.031 -12.820 -5.195 70 H GLN 12 H GLN 12 -7.790 -10.426 -6.568 71 HA GLN 12 HA GLN 12 -6.526 -8.826 -4.590 72 HB2 GLN 12 1HB GLN 12 -5.603 -10.636 -6.814 73 HB3 GLN 12 2HB GLN 12 -4.397 -9.624 -6.027 74 HG2 GLN 12 1HG GLN 12 -4.424 -10.769 -4.080 75 HG3 GLN 12 2HG GLN 12 -6.169 -11.006 -4.095 76 HE21 GLN 12 2HE2 GLN 12 -6.173 -13.221 -3.559 77 HE22 GLN 12 1HE2 GLN 12 -5.511 -14.426 -4.659 78 H LEU 13 H LEU 13 -5.307 -7.043 -4.569 79 HA LEU 13 HA LEU 13 -5.720 -4.988 -6.530 80 HB2 LEU 13 1HB LEU 13 -5.279 -4.698 -4.058 81 HB3 LEU 13 2HB LEU 13 -3.629 -5.196 -4.321 82 HG LEU 13 HG LEU 13 -4.375 -3.065 -6.203 83 HD11 LEU 13 1HD1 LEU 13 -4.517 -1.201 -4.599 84 HD12 LEU 13 2HD1 LEU 13 -4.694 -2.387 -3.278 85 HD13 LEU 13 3HD1 LEU 13 -5.915 -2.250 -4.567 86 HD21 LEU 13 3HD2 LEU 13 -2.100 -3.626 -5.736 87 HD22 LEU 13 1HD2 LEU 13 -2.314 -3.335 -4.002 88 HD23 LEU 13 2HD2 LEU 13 -2.390 -1.977 -5.177 89 H ALA 14 H ALA 14 -4.274 -4.069 -7.992 90 HA ALA 14 HA ALA 14 -1.806 -5.568 -8.732 91 HB1 ALA 14 3HB ALA 14 -3.679 -6.242 -10.194 92 HB2 ALA 14 1HB ALA 14 -3.988 -4.540 -10.602 93 HB3 ALA 14 2HB ALA 14 -2.472 -5.321 -11.104 94 H VAL 15 H VAL 15 -0.641 -4.172 -10.532 95 HA VAL 15 HA VAL 15 0.158 -1.675 -9.290 96 HB VAL 15 HB VAL 15 0.817 -2.736 -12.071 97 HG11 VAL 15 1HG1 VAL 15 1.996 -0.499 -10.378 98 HG12 VAL 15 2HG1 VAL 15 2.800 -1.188 -11.806 99 HG13 VAL 15 3HG1 VAL 15 1.257 -0.362 -11.992 100 HG21 VAL 15 3HG2 VAL 15 3.075 -3.154 -10.695 101 HG22 VAL 15 1HG2 VAL 15 1.963 -3.237 -9.318 102 HG23 VAL 15 2HG2 VAL 15 1.769 -4.341 -10.695 103 H GLY 16 H GLY 16 -0.491 0.363 -9.654 104 HA2 GLY 16 1HA GLY 16 -1.491 2.193 -10.690 105 HA3 GLY 16 2HA GLY 16 -2.099 1.167 -11.982 106 H ASP 17 H ASP 17 -2.995 -0.340 -9.150 107 HA ASP 17 HA ASP 17 -5.763 0.401 -9.298 108 HB2 ASP 17 1HB ASP 17 -4.497 -1.756 -8.465 109 HB3 ASP 17 2HB ASP 17 -4.495 -0.918 -6.912 110 H ARG 18 H ARG 18 -6.879 0.932 -7.078 111 HA ARG 18 HA ARG 18 -5.780 3.572 -6.191 112 HB2 ARG 18 1HB ARG 18 -8.209 3.088 -7.542 113 HB3 ARG 18 2HB ARG 18 -8.688 3.113 -5.860 114 HG2 ARG 18 1HG ARG 18 -8.783 5.427 -6.480 115 HG3 ARG 18 2HG ARG 18 -7.201 5.300 -5.710 116 HD2 ARG 18 1HD ARG 18 -6.462 4.660 -8.225 117 HD3 ARG 18 2HD ARG 18 -7.977 5.489 -8.618 118 HE ARG 18 HE ARG 18 -6.137 6.949 -6.827 119 HH11 ARG 18 1HH1 ARG 18 -7.064 6.472 -10.159 120 HH12 ARG 18 2HH1 ARG 18 -6.280 7.930 -10.700 121 HH21 ARG 18 1HH2 ARG 18 -5.160 8.812 -7.559 122 HH22 ARG 18 2HH2 ARG 18 -5.173 9.185 -9.255 123 H VAL 19 H VAL 19 -5.876 4.145 -4.085 124 HA VAL 19 HA VAL 19 -6.781 2.114 -2.095 125 HB VAL 19 HB VAL 19 -4.705 2.077 -0.946 126 HG11 VAL 19 1HG1 VAL 19 -3.199 1.080 -2.467 127 HG12 VAL 19 2HG1 VAL 19 -4.858 0.629 -2.946 128 HG13 VAL 19 3HG1 VAL 19 -3.966 1.857 -3.862 129 HG21 VAL 19 3HG2 VAL 19 -3.975 4.403 -2.707 130 HG22 VAL 19 1HG2 VAL 19 -3.757 4.197 -0.954 131 HG23 VAL 19 2HG2 VAL 19 -2.697 3.373 -2.108 132 H VAL 20 H VAL 20 -7.391 2.918 -0.144 133 HA VAL 20 HA VAL 20 -7.134 5.802 0.383 134 HB VAL 20 HB VAL 20 -9.230 5.565 -0.775 135 HG11 VAL 20 1HG1 VAL 20 -9.678 3.155 0.062 136 HG12 VAL 20 2HG1 VAL 20 -10.418 3.953 1.463 137 HG13 VAL 20 3HG1 VAL 20 -11.030 4.271 -0.168 138 HG21 VAL 20 3HG2 VAL 20 -9.689 6.168 2.164 139 HG22 VAL 20 1HG2 VAL 20 -9.174 7.318 0.914 140 HG23 VAL 20 2HG2 VAL 20 -10.782 6.587 0.837 141 H TYR 21 H TYR 21 -6.954 6.304 2.446 142 HA TYR 21 HA TYR 21 -6.514 4.088 4.378 143 HB2 TYR 21 1HB TYR 21 -5.355 6.719 3.848 144 HB3 TYR 21 2HB TYR 21 -5.818 6.549 5.526 145 HD1 TYR 21 HD2 TYR 21 -4.166 4.335 2.931 146 HD2 TYR 21 HD1 TYR 21 -4.071 5.944 6.945 147 HE1 TYR 21 HE2 TYR 21 -2.024 3.086 3.409 148 HE2 TYR 21 HE1 TYR 21 -1.954 4.750 7.375 149 HH TYR 21 HH TYR 21 -0.250 3.580 6.472 150 HA PRO 22 HA PRO 22 -10.142 4.979 6.713 151 HB2 PRO 22 1HB PRO 22 -9.382 4.640 9.328 152 HB3 PRO 22 2HB PRO 22 -9.517 3.300 8.150 153 HG2 PRO 22 1HG PRO 22 -7.014 4.821 8.944 154 HG3 PRO 22 2HG PRO 22 -7.252 3.043 8.873 155 HD2 PRO 22 1HD PRO 22 -6.101 4.395 6.838 156 HD3 PRO 22 2HD PRO 22 -7.222 3.045 6.507 157 H ASN 23 H ASN 23 -7.432 7.026 7.023 158 HA ASN 23 HA ASN 23 -9.105 9.364 7.702 159 HB2 ASN 23 1HB ASN 23 -6.923 8.266 9.500 160 HB3 ASN 23 2HB ASN 23 -7.142 10.009 9.389 161 HD21 ASN 23 2HD2 ASN 23 -8.115 7.375 11.217 162 HD22 ASN 23 1HD2 ASN 23 -9.607 8.096 11.809 163 H GLN 24 H GLN 24 -5.797 8.289 6.899 164 HA GLN 24 HA GLN 24 -4.519 10.607 6.324 165 HB2 GLN 24 1HB GLN 24 -3.944 7.994 6.145 166 HB3 GLN 24 2HB GLN 24 -4.030 8.327 4.421 167 HG2 GLN 24 1HG GLN 24 -2.244 9.786 6.388 168 HG3 GLN 24 2HG GLN 24 -1.774 8.334 5.520 169 HE21 GLN 24 2HE2 GLN 24 -1.152 11.522 5.376 170 HE22 GLN 24 1HE2 GLN 24 -0.923 11.639 3.638 171 H GLY 25 H GLY 25 -6.506 8.864 3.927 172 HA2 GLY 25 1HA GLY 25 -7.874 10.461 2.454 173 HA3 GLY 25 2HA GLY 25 -6.305 11.118 1.968 174 H VAL 26 H VAL 26 -6.468 10.495 -0.175 175 HA VAL 26 HA VAL 26 -6.629 7.576 -0.829 176 HB VAL 26 HB VAL 26 -7.466 8.192 -3.027 177 HG11 VAL 26 1HG1 VAL 26 -9.103 9.369 -0.742 178 HG12 VAL 26 2HG1 VAL 26 -9.720 9.078 -2.375 179 HG13 VAL 26 3HG1 VAL 26 -9.164 7.720 -1.403 180 HG21 VAL 26 3HG2 VAL 26 -6.509 10.416 -3.364 181 HG22 VAL 26 1HG2 VAL 26 -8.262 10.485 -3.524 182 HG23 VAL 26 2HG2 VAL 26 -7.495 11.077 -2.039 183 H CYS 27 H CYS 27 -5.178 6.724 -2.291 184 HA CYS 27 HA CYS 27 -3.025 8.416 -3.426 185 HB2 CYS 27 1HB CYS 27 -2.445 5.924 -1.752 186 HB3 CYS 27 2HB CYS 27 -1.265 6.810 -2.711 187 HG CYS 27 HG CYS 27 -2.865 7.592 0.051 188 H ARG 28 H ARG 28 -1.572 6.814 -4.864 189 HA ARG 28 HA ARG 28 -3.314 4.909 -6.378 190 HB2 ARG 28 1HB ARG 28 -3.146 7.360 -7.260 191 HB3 ARG 28 2HB ARG 28 -1.515 6.949 -7.752 192 HG2 ARG 28 1HG ARG 28 -3.977 5.334 -8.592 193 HG3 ARG 28 2HG ARG 28 -3.422 6.777 -9.443 194 HD2 ARG 28 1HD ARG 28 -1.121 5.523 -9.561 195 HD3 ARG 28 2HD ARG 28 -2.117 4.074 -9.291 196 HE ARG 28 HE ARG 28 -3.458 5.412 -11.295 197 HH11 ARG 28 1HH1 ARG 28 -0.193 4.220 -11.076 198 HH12 ARG 28 2HH1 ARG 28 0.039 4.258 -12.809 199 HH21 ARG 28 1HH2 ARG 28 -3.128 5.461 -13.473 200 HH22 ARG 28 2HH2 ARG 28 -1.618 4.919 -14.135 201 H VAL 29 H VAL 29 -2.331 3.046 -6.895 202 HA VAL 29 HA VAL 29 0.281 2.467 -5.785 203 HB VAL 29 HB VAL 29 -1.361 0.750 -7.645 204 HG11 VAL 29 1HG1 VAL 29 0.969 -0.076 -7.385 205 HG12 VAL 29 2HG1 VAL 29 0.824 0.047 -5.620 206 HG13 VAL 29 3HG1 VAL 29 -0.166 -1.118 -6.526 207 HG21 VAL 29 3HG2 VAL 29 -2.126 1.638 -5.078 208 HG22 VAL 29 1HG2 VAL 29 -2.742 0.240 -5.946 209 HG23 VAL 29 2HG2 VAL 29 -1.411 0.067 -4.779 210 H SER 30 H SER 30 2.266 2.215 -6.706 211 HA SER 30 HA SER 30 2.573 2.999 -9.592 212 HB2 SER 30 1HB SER 30 3.335 4.737 -8.054 213 HB3 SER 30 2HB SER 30 4.386 3.567 -7.232 214 HG SER 30 HG SER 30 4.578 4.212 -10.011 215 H ALA 31 H ALA 31 4.033 1.033 -6.942 216 HA ALA 31 HA ALA 31 4.609 -1.106 -8.855 217 HB1 ALA 31 3HB ALA 31 6.626 0.344 -9.030 218 HB2 ALA 31 1HB ALA 31 6.846 0.250 -7.269 219 HB3 ALA 31 2HB ALA 31 7.013 -1.210 -8.272 220 H ILE 32 H ILE 32 5.292 -3.097 -7.729 221 HA ILE 32 HA ILE 32 4.794 -3.216 -4.804 222 HB ILE 32 HB ILE 32 3.295 -4.931 -6.840 223 HG12 ILE 32 1HG1 ILE 32 2.201 -2.840 -4.912 224 HG13 ILE 32 2HG1 ILE 32 2.352 -2.602 -6.628 225 HG21 ILE 32 1HG2 ILE 32 3.442 -5.000 -3.785 226 HG22 ILE 32 2HG2 ILE 32 2.200 -5.860 -4.709 227 HG23 ILE 32 3HG2 ILE 32 3.882 -6.281 -4.923 228 HD11 ILE 32 3HD1 ILE 32 0.459 -3.619 -7.123 229 HD12 ILE 32 1HD1 ILE 32 0.757 -5.004 -6.068 230 HD13 ILE 32 2HD1 ILE 32 0.108 -3.498 -5.392 231 H ASP 33 H ASP 33 6.109 -4.708 -3.805 232 HA ASP 33 HA ASP 33 7.264 -6.909 -5.346 233 HB2 ASP 33 1HB ASP 33 8.745 -4.655 -5.467 234 HB3 ASP 33 2HB ASP 33 9.288 -5.213 -3.891 235 H VAL 34 H VAL 34 8.720 -8.298 -3.808 236 HA VAL 34 HA VAL 34 7.478 -8.326 -1.075 237 HB VAL 34 HB VAL 34 7.792 -10.685 -0.956 238 HG11 VAL 34 1HG1 VAL 34 5.965 -9.464 -2.848 239 HG12 VAL 34 2HG1 VAL 34 6.409 -11.067 -3.418 240 HG13 VAL 34 3HG1 VAL 34 5.747 -10.866 -1.794 241 HG21 VAL 34 3HG2 VAL 34 8.960 -10.558 -3.758 242 HG22 VAL 34 1HG2 VAL 34 9.761 -11.105 -2.266 243 HG23 VAL 34 2HG2 VAL 34 8.438 -12.051 -2.945 244 H LYS 35 H LYS 35 8.786 -8.493 0.713 245 HA LYS 35 HA LYS 35 11.647 -9.002 0.441 246 HB2 LYS 35 1HB LYS 35 12.426 -6.897 1.397 247 HB3 LYS 35 2HB LYS 35 11.666 -6.623 -0.157 248 HG2 LYS 35 1HG LYS 35 9.772 -5.587 0.784 249 HG3 LYS 35 2HG LYS 35 10.083 -6.218 2.409 250 HD2 LYS 35 1HD LYS 35 12.057 -4.344 1.073 251 HD3 LYS 35 2HD LYS 35 10.623 -3.720 1.894 252 HE2 LYS 35 1HE LYS 35 11.391 -4.122 3.955 253 HE3 LYS 35 2HE LYS 35 11.999 -5.726 3.546 254 HZ1 LYS 35 3HZ LYS 35 13.761 -4.121 4.181 255 HZ2 LYS 35 1HZ LYS 35 13.438 -3.220 2.859 256 HZ3 LYS 35 2HZ LYS 35 14.007 -4.747 2.699 257 H GLU 36 H GLU 36 12.763 -8.796 2.552 258 HA GLU 36 HA GLU 36 11.022 -9.749 4.779 259 HB2 GLU 36 1HB GLU 36 13.423 -10.835 3.726 260 HB3 GLU 36 2HB GLU 36 13.897 -10.044 5.224 261 HG2 GLU 36 1HG GLU 36 11.629 -11.351 6.057 262 HG3 GLU 36 2HG GLU 36 12.168 -12.400 4.747 263 H VAL 37 H VAL 37 10.481 -8.239 6.200 264 HA VAL 37 HA VAL 37 12.573 -6.267 7.078 265 HB VAL 37 HB VAL 37 10.767 -5.210 5.707 266 HG11 VAL 37 1HG1 VAL 37 8.938 -5.716 8.085 267 HG12 VAL 37 2HG1 VAL 37 8.562 -4.888 6.563 268 HG13 VAL 37 3HG1 VAL 37 8.887 -6.639 6.574 269 HG21 VAL 37 3HG2 VAL 37 10.479 -3.297 7.144 270 HG22 VAL 37 1HG2 VAL 37 10.815 -4.256 8.596 271 HG23 VAL 37 2HG2 VAL 37 12.104 -3.954 7.407 272 H ALA 38 H ALA 38 12.820 -6.016 9.269 273 HA ALA 38 HA ALA 38 12.921 -6.767 11.425 274 HB1 ALA 38 3HB ALA 38 9.900 -6.552 11.133 275 HB2 ALA 38 1HB ALA 38 10.827 -6.428 12.643 276 HB3 ALA 38 2HB ALA 38 11.017 -5.193 11.386 277 H GLY 39 H GLY 39 12.963 -8.992 9.521 278 HA2 GLY 39 1HA GLY 39 13.200 -11.295 9.728 279 HA3 GLY 39 2HA GLY 39 12.451 -11.250 11.318 280 H GLN 40 H GLN 40 10.763 -9.866 8.518 281 HA GLN 40 HA GLN 40 8.890 -12.187 8.375 282 HB2 GLN 40 1HB GLN 40 8.128 -10.431 9.997 283 HB3 GLN 40 2HB GLN 40 8.161 -9.252 8.697 284 HG2 GLN 40 1HG GLN 40 6.020 -9.766 8.356 285 HG3 GLN 40 2HG GLN 40 6.586 -11.186 7.517 286 HE21 GLN 40 2HE2 GLN 40 6.228 -10.340 11.055 287 HE22 GLN 40 1HE2 GLN 40 5.370 -11.838 11.401 288 H LYS 41 H LYS 41 8.818 -12.833 6.332 289 HA LYS 41 HA LYS 41 9.281 -10.937 4.108 290 HB2 LYS 41 1HB LYS 41 10.308 -13.429 4.511 291 HB3 LYS 41 2HB LYS 41 8.909 -13.847 3.544 292 HG2 LYS 41 1HG LYS 41 9.589 -12.368 1.750 293 HG3 LYS 41 2HG LYS 41 10.904 -11.681 2.719 294 HD2 LYS 41 1HD LYS 41 12.212 -13.637 2.631 295 HD3 LYS 41 2HD LYS 41 10.819 -14.653 2.228 296 HE2 LYS 41 1HE LYS 41 10.741 -13.069 0.067 297 HE3 LYS 41 2HE LYS 41 12.458 -12.859 0.434 298 HZ1 LYS 41 3HZ LYS 41 11.144 -15.515 0.160 299 HZ2 LYS 41 1HZ LYS 41 12.752 -15.239 0.260 300 HZ3 LYS 41 2HZ LYS 41 11.919 -14.781 -1.070 301 H LEU 42 H LEU 42 7.646 -10.035 3.049 302 HA LEU 42 HA LEU 42 5.305 -11.588 2.304 303 HB2 LEU 42 1HB LEU 42 3.642 -10.607 3.590 304 HB3 LEU 42 2HB LEU 42 4.919 -10.830 4.738 305 HG LEU 42 HG LEU 42 5.435 -8.259 3.770 306 HD11 LEU 42 1HD1 LEU 42 3.033 -8.630 2.709 307 HD12 LEU 42 2HD1 LEU 42 3.507 -7.120 3.455 308 HD13 LEU 42 3HD1 LEU 42 2.482 -8.302 4.348 309 HD21 LEU 42 3HD2 LEU 42 5.577 -8.886 6.111 310 HD22 LEU 42 1HD2 LEU 42 3.811 -9.114 6.196 311 HD23 LEU 42 2HD2 LEU 42 4.498 -7.496 5.946 312 H THR 43 H THR 43 3.704 -10.173 1.018 313 HA THR 43 HA THR 43 5.145 -8.601 -0.944 314 HB THR 43 HB THR 43 2.119 -8.804 -0.655 315 HG1 THR 43 HG1 THR 43 2.273 -10.662 -1.882 316 HG21 THR 43 3HG2 THR 43 2.536 -8.910 -3.289 317 HG22 THR 43 1HG2 THR 43 4.042 -8.078 -2.873 318 HG23 THR 43 2HG2 THR 43 2.478 -7.360 -2.436 319 H PHE 44 H PHE 44 5.703 -6.501 -0.734 320 HA PHE 44 HA PHE 44 4.040 -4.702 0.984 321 HB2 PHE 44 1HB PHE 44 6.996 -4.642 0.338 322 HB3 PHE 44 2HB PHE 44 6.109 -3.330 1.105 323 HD1 PHE 44 HD1 PHE 44 4.873 -3.777 3.317 324 HD2 PHE 44 HD2 PHE 44 7.801 -6.468 1.673 325 HE1 PHE 44 HE1 PHE 44 5.253 -4.770 5.604 326 HE2 PHE 44 HE2 PHE 44 8.158 -7.445 3.939 327 HZ PHE 44 HZ PHE 44 6.822 -6.640 5.853 328 H VAL 45 H VAL 45 2.800 -3.436 -0.104 329 HA VAL 45 HA VAL 45 3.218 -2.911 -2.976 330 HB VAL 45 HB VAL 45 1.059 -1.719 -2.806 331 HG11 VAL 45 1HG1 VAL 45 1.240 -4.139 -3.368 332 HG12 VAL 45 2HG1 VAL 45 1.107 -4.545 -1.672 333 HG13 VAL 45 3HG1 VAL 45 -0.257 -3.785 -2.535 334 HG21 VAL 45 3HG2 VAL 45 0.363 -2.860 -0.146 335 HG22 VAL 45 1HG2 VAL 45 1.517 -1.532 -0.062 336 HG23 VAL 45 2HG2 VAL 45 0.015 -1.253 -0.834 337 H THR 46 H THR 46 3.654 -0.845 -3.904 338 HA THR 46 HA THR 46 4.280 1.340 -1.970 339 HB THR 46 HB THR 46 5.903 0.785 -4.469 340 HG1 THR 46 HG1 THR 46 6.164 -0.863 -2.922 341 HG21 THR 46 3HG2 THR 46 6.088 3.092 -3.751 342 HG22 THR 46 1HG2 THR 46 7.527 2.250 -3.145 343 HG23 THR 46 2HG2 THR 46 6.191 2.615 -2.039 344 H MET 47 H MET 47 2.887 2.878 -2.171 345 HA MET 47 HA MET 47 1.751 3.564 -4.842 346 HB2 MET 47 1HB MET 47 0.531 4.170 -2.131 347 HB3 MET 47 2HB MET 47 -0.227 4.291 -3.703 348 HG2 MET 47 1HG MET 47 -1.139 2.297 -3.120 349 HG3 MET 47 2HG MET 47 0.367 1.656 -3.743 350 HE1 MET 47 3HE MET 47 -1.177 3.219 -0.493 351 HE2 MET 47 1HE MET 47 -2.010 1.659 -0.547 352 HE3 MET 47 2HE MET 47 -0.828 1.987 0.732 353 H ARG 48 H ARG 48 1.458 5.751 -5.341 354 HA ARG 48 HA ARG 48 3.096 7.719 -3.800 355 HB2 ARG 48 1HB ARG 48 3.364 7.440 -6.807 356 HB3 ARG 48 2HB ARG 48 4.278 8.475 -5.703 357 HG2 ARG 48 1HG ARG 48 5.075 6.232 -4.604 358 HG3 ARG 48 2HG ARG 48 4.451 5.462 -6.047 359 HD2 ARG 48 1HD ARG 48 6.608 7.605 -5.910 360 HD3 ARG 48 2HD ARG 48 6.845 5.879 -6.238 361 HE ARG 48 HE ARG 48 5.032 7.003 -8.169 362 HH11 ARG 48 1HH1 ARG 48 8.444 6.932 -7.455 363 HH12 ARG 48 2HH1 ARG 48 8.897 7.268 -9.104 364 HH21 ARG 48 1HH2 ARG 48 5.647 7.471 -10.238 365 HH22 ARG 48 2HH2 ARG 48 7.336 7.572 -10.637 366 H ARG 49 H ARG 49 1.798 9.292 -3.294 367 HA ARG 49 HA ARG 49 -0.691 9.825 -4.820 368 HB2 ARG 49 1HB ARG 49 -0.435 9.902 -2.240 369 HB3 ARG 49 2HB ARG 49 0.418 11.426 -2.471 370 HG2 ARG 49 1HG ARG 49 -1.718 11.977 -3.994 371 HG3 ARG 49 2HG ARG 49 -2.470 10.713 -3.044 372 HD2 ARG 49 1HD ARG 49 -1.146 13.243 -1.969 373 HD3 ARG 49 2HD ARG 49 -2.888 12.980 -2.181 374 HE ARG 49 HE ARG 49 -1.709 10.967 -0.457 375 HH11 ARG 49 1HH1 ARG 49 -2.925 14.251 -0.448 376 HH12 ARG 49 2HH1 ARG 49 -3.374 14.186 1.232 377 HH21 ARG 49 1HH2 ARG 49 -2.358 10.942 1.722 378 HH22 ARG 49 2HH2 ARG 49 -3.104 12.362 2.378 379 H GLU 50 H GLU 50 -0.314 10.777 -6.717 380 HA GLU 50 HA GLU 50 1.695 12.739 -7.292 381 HB2 GLU 50 1HB GLU 50 0.571 12.964 -9.427 382 HB3 GLU 50 2HB GLU 50 0.668 11.274 -8.948 383 HG2 GLU 50 1HG GLU 50 -1.792 11.732 -7.980 384 HG3 GLU 50 2HG GLU 50 -1.748 13.088 -9.099 385 H GLU 51 H GLU 51 -1.277 13.119 -5.660 386 HA GLU 51 HA GLU 51 -2.046 15.762 -6.258 387 HB2 GLU 51 1HB GLU 51 -2.947 13.766 -4.564 388 HB3 GLU 51 2HB GLU 51 -2.286 14.912 -3.411 389 HG2 GLU 51 1HG GLU 51 -4.331 15.816 -3.504 390 HG3 GLU 51 2HG GLU 51 -3.746 16.621 -4.956 391 H ASP 52 H ASP 52 0.334 14.621 -3.918 392 HA ASP 52 HA ASP 52 1.430 17.398 -3.593 393 HB2 ASP 52 1HB ASP 52 0.102 16.536 -1.603 394 HB3 ASP 52 2HB ASP 52 1.328 15.283 -1.420 395 H GLY 53 H GLY 53 2.161 14.057 -4.276 396 HA2 GLY 53 1HA GLY 53 4.131 13.301 -5.276 397 HA3 GLY 53 2HA GLY 53 5.040 14.660 -4.625 398 H ALA 54 H ALA 54 2.991 12.928 -2.404 399 HA ALA 54 HA ALA 54 5.304 11.904 -0.879 400 HB1 ALA 54 3HB ALA 54 3.511 11.229 0.746 401 HB2 ALA 54 1HB ALA 54 3.493 12.956 0.359 402 HB3 ALA 54 2HB ALA 54 2.288 11.864 -0.373 403 H VAL 55 H VAL 55 5.276 9.673 -0.061 404 HA VAL 55 HA VAL 55 4.038 7.660 -1.857 405 HB VAL 55 HB VAL 55 6.018 6.293 -1.835 406 HG11 VAL 55 1HG1 VAL 55 5.631 8.142 -3.589 407 HG12 VAL 55 2HG1 VAL 55 6.907 9.042 -2.774 408 HG13 VAL 55 3HG1 VAL 55 7.265 7.450 -3.477 409 HG21 VAL 55 3HG2 VAL 55 8.234 7.189 -1.152 410 HG22 VAL 55 1HG2 VAL 55 7.435 8.591 -0.416 411 HG23 VAL 55 2HG2 VAL 55 7.158 6.958 0.230 412 H VAL 56 H VAL 56 3.349 5.807 -0.935 413 HA VAL 56 HA VAL 56 3.676 5.446 1.995 414 HB VAL 56 HB VAL 56 1.357 4.930 2.341 415 HG11 VAL 56 1HG1 VAL 56 2.165 7.332 2.569 416 HG12 VAL 56 2HG1 VAL 56 1.413 7.653 0.991 417 HG13 VAL 56 3HG1 VAL 56 0.418 7.120 2.357 418 HG21 VAL 56 3HG2 VAL 56 0.657 4.178 0.140 419 HG22 VAL 56 1HG2 VAL 56 -0.412 5.465 0.710 420 HG23 VAL 56 2HG2 VAL 56 0.821 5.822 -0.520 421 H MET 57 H MET 57 4.061 3.395 2.552 422 HA MET 57 HA MET 57 3.553 1.240 0.584 423 HB2 MET 57 1HB MET 57 5.892 1.740 0.328 424 HB3 MET 57 2HB MET 57 6.159 1.757 2.069 425 HG2 MET 57 1HG MET 57 5.068 -0.830 1.191 426 HG3 MET 57 2HG MET 57 6.475 -0.381 0.259 427 HE1 MET 57 3HE MET 57 5.656 -0.363 4.431 428 HE2 MET 57 1HE MET 57 4.940 -1.610 3.387 429 HE3 MET 57 2HE MET 57 6.280 -2.018 4.478 430 H VAL 58 H VAL 58 2.511 -0.409 1.410 431 HA VAL 58 HA VAL 58 2.604 -0.919 4.326 432 HB VAL 58 HB VAL 58 0.150 -1.303 4.437 433 HG11 VAL 58 1HG1 VAL 58 -0.325 1.347 3.806 434 HG12 VAL 58 2HG1 VAL 58 0.179 0.669 5.362 435 HG13 VAL 58 3HG1 VAL 58 1.376 1.322 4.255 436 HG21 VAL 58 3HG2 VAL 58 -0.349 -1.786 2.150 437 HG22 VAL 58 1HG2 VAL 58 -1.356 -0.456 2.748 438 HG23 VAL 58 2HG2 VAL 58 0.015 -0.104 1.671 439 HA PRO 59 HA PRO 59 2.829 -5.135 3.077 440 HB2 PRO 59 1HB PRO 59 1.812 -6.394 5.295 441 HB3 PRO 59 2HB PRO 59 3.397 -5.642 5.261 442 HG2 PRO 59 1HG PRO 59 0.817 -4.477 6.291 443 HG3 PRO 59 2HG PRO 59 2.433 -4.480 7.095 444 HD2 PRO 59 1HD PRO 59 1.565 -2.326 5.762 445 HD3 PRO 59 2HD PRO 59 3.263 -2.852 5.604 446 H GLU 60 H GLU 60 1.536 -6.085 1.549 447 HA GLU 60 HA GLU 60 -1.357 -5.854 1.540 448 HB2 GLU 60 1HB GLU 60 0.702 -7.007 -0.217 449 HB3 GLU 60 2HB GLU 60 -0.740 -8.013 -0.156 450 HG2 GLU 60 1HG GLU 60 -0.768 -5.034 -0.643 451 HG3 GLU 60 2HG GLU 60 -0.724 -6.227 -1.944 452 H GLY 61 H GLY 61 0.791 -8.420 2.665 453 HA2 GLY 61 1HA GLY 61 -1.507 -10.171 3.421 454 HA3 GLY 61 2HA GLY 61 0.210 -10.578 3.537 455 H LYS 62 H LYS 62 -0.335 -7.534 4.830 456 HA LYS 62 HA LYS 62 -0.952 -8.503 7.594 457 HB2 LYS 62 1HB LYS 62 1.623 -8.075 6.774 458 HB3 LYS 62 2HB LYS 62 1.185 -6.475 7.408 459 HG2 LYS 62 1HG LYS 62 0.714 -7.334 9.563 460 HG3 LYS 62 2HG LYS 62 0.881 -9.001 8.977 461 HD2 LYS 62 1HD LYS 62 3.261 -7.323 8.286 462 HD3 LYS 62 2HD LYS 62 2.954 -7.338 10.026 463 HE2 LYS 62 1HE LYS 62 3.181 -9.819 8.265 464 HE3 LYS 62 2HE LYS 62 4.450 -9.174 9.315 465 HZ1 LYS 62 3HZ LYS 62 3.524 -10.168 11.083 466 HZ2 LYS 62 1HZ LYS 62 2.558 -10.999 10.066 467 HZ3 LYS 62 2HZ LYS 62 2.021 -9.622 10.763 468 H VAL 63 H VAL 63 -1.852 -6.382 5.233 469 HA VAL 63 HA VAL 63 -2.416 -3.943 6.387 470 HB VAL 63 HB VAL 63 -4.570 -4.006 5.143 471 HG11 VAL 63 1HG1 VAL 63 -2.270 -3.224 4.243 472 HG12 VAL 63 2HG1 VAL 63 -2.434 -4.624 3.162 473 HG13 VAL 63 3HG1 VAL 63 -3.673 -3.370 3.169 474 HG21 VAL 63 3HG2 VAL 63 -5.420 -5.694 3.960 475 HG22 VAL 63 1HG2 VAL 63 -3.848 -6.322 3.469 476 HG23 VAL 63 2HG2 VAL 63 -4.494 -6.718 5.061 477 H LEU 64 H LEU 64 -3.938 -6.957 7.196 478 HA LEU 64 HA LEU 64 -6.237 -6.115 8.579 479 HB2 LEU 64 1HB LEU 64 -4.495 -8.434 9.460 480 HB3 LEU 64 2HB LEU 64 -6.241 -8.275 9.572 481 HG LEU 64 HG LEU 64 -4.581 -8.832 7.058 482 HD11 LEU 64 1HD1 LEU 64 -5.685 -10.959 7.079 483 HD12 LEU 64 2HD1 LEU 64 -6.779 -10.466 8.391 484 HD13 LEU 64 3HD1 LEU 64 -5.047 -10.694 8.710 485 HD21 LEU 64 3HD2 LEU 64 -6.744 -9.049 5.865 486 HD22 LEU 64 1HD2 LEU 64 -6.483 -7.385 6.399 487 HD23 LEU 64 2HD2 LEU 64 -7.605 -8.431 7.293 488 H ALA 65 H ALA 65 -2.864 -6.016 9.588 489 HA ALA 65 HA ALA 65 -3.358 -5.444 12.395 490 HB1 ALA 65 3HB ALA 65 -0.745 -4.824 11.017 491 HB2 ALA 65 1HB ALA 65 -1.062 -5.538 12.610 492 HB3 ALA 65 2HB ALA 65 -1.255 -6.517 11.149 493 H ILE 66 H ILE 66 -2.293 -3.480 9.585 494 HA ILE 66 HA ILE 66 -2.270 -0.937 10.962 495 HB ILE 66 HB ILE 66 -2.513 -1.509 7.982 496 HG12 ILE 66 1HG1 ILE 66 0.079 -0.570 8.477 497 HG13 ILE 66 2HG1 ILE 66 -0.218 -1.583 9.881 498 HG21 ILE 66 1HG2 ILE 66 -1.536 0.798 7.715 499 HG22 ILE 66 2HG2 ILE 66 -3.180 0.783 8.337 500 HG23 ILE 66 3HG2 ILE 66 -1.820 1.064 9.449 501 HD11 ILE 66 3HD1 ILE 66 -0.879 -3.446 8.295 502 HD12 ILE 66 1HD1 ILE 66 -0.439 -2.376 6.947 503 HD13 ILE 66 2HD1 ILE 66 0.794 -2.888 8.128 504 H GLY 67 H GLY 67 -4.797 -2.718 9.280 505 HA2 GLY 67 1HA GLY 67 -7.121 -2.485 9.505 506 HA3 GLY 67 2HA GLY 67 -6.918 -0.924 10.299 507 H VAL 68 H VAL 68 -5.040 -1.044 7.491 508 HA VAL 68 HA VAL 68 -6.868 0.725 5.984 509 HB VAL 68 HB VAL 68 -4.487 1.300 6.178 510 HG11 VAL 68 1HG1 VAL 68 -3.608 -1.159 5.960 511 HG12 VAL 68 2HG1 VAL 68 -3.709 -0.860 4.218 512 HG13 VAL 68 3HG1 VAL 68 -2.694 0.176 5.238 513 HG21 VAL 68 3HG2 VAL 68 -5.644 2.222 4.334 514 HG22 VAL 68 1HG2 VAL 68 -4.085 1.671 3.705 515 HG23 VAL 68 2HG2 VAL 68 -5.539 0.741 3.372 516 H ARG 69 H ARG 69 -8.065 0.103 4.240 517 HA ARG 69 HA ARG 69 -7.639 -2.660 3.131 518 HB2 ARG 69 1HB ARG 69 -10.134 -1.052 3.641 519 HB3 ARG 69 2HB ARG 69 -10.109 -2.135 2.254 520 HG2 ARG 69 1HG ARG 69 -9.576 -2.983 5.140 521 HG3 ARG 69 2HG ARG 69 -11.090 -3.184 4.241 522 HD2 ARG 69 1HD ARG 69 -9.560 -4.409 2.472 523 HD3 ARG 69 2HD ARG 69 -8.442 -4.593 3.840 524 HE ARG 69 HE ARG 69 -10.911 -5.477 4.793 525 HH11 ARG 69 1HH1 ARG 69 -8.799 -6.482 2.194 526 HH12 ARG 69 2HH1 ARG 69 -9.448 -8.097 2.159 527 HH21 ARG 69 1HH2 ARG 69 -11.697 -7.555 4.709 528 HH22 ARG 69 2HH2 ARG 69 -11.037 -8.684 3.563 529 H LYS 70 H LYS 70 -6.430 -2.530 1.467 530 HA LYS 70 HA LYS 70 -7.025 -0.486 -0.670 531 HB2 LYS 70 1HB LYS 70 -4.594 -0.776 -1.241 532 HB3 LYS 70 2HB LYS 70 -4.926 0.145 0.221 533 HG2 LYS 70 1HG LYS 70 -4.047 -1.428 1.642 534 HG3 LYS 70 2HG LYS 70 -4.366 -2.794 0.587 535 HD2 LYS 70 1HD LYS 70 -2.187 -0.727 0.167 536 HD3 LYS 70 2HD LYS 70 -2.011 -2.371 0.792 537 HE2 LYS 70 1HE LYS 70 -1.639 -3.100 -1.225 538 HE3 LYS 70 2HE LYS 70 -3.340 -2.877 -1.572 539 HZ1 LYS 70 3HZ LYS 70 -1.533 -1.741 -3.076 540 HZ2 LYS 70 1HZ LYS 70 -1.465 -0.595 -1.920 541 HZ3 LYS 70 2HZ LYS 70 -2.876 -0.884 -2.717 542 H VAL 71 H VAL 71 -8.216 -1.566 -2.073 543 HA VAL 71 HA VAL 71 -7.079 -3.853 -3.502 544 HB VAL 71 HB VAL 71 -9.855 -4.187 -2.346 545 HG11 VAL 71 1HG1 VAL 71 -9.616 -5.617 -4.186 546 HG12 VAL 71 2HG1 VAL 71 -7.899 -5.950 -3.830 547 HG13 VAL 71 3HG1 VAL 71 -9.185 -6.666 -2.854 548 HG21 VAL 71 3HG2 VAL 71 -9.050 -5.852 -0.756 549 HG22 VAL 71 1HG2 VAL 71 -7.366 -5.536 -1.223 550 HG23 VAL 71 2HG2 VAL 71 -8.322 -4.304 -0.371 551 H ALA 72 H ALA 72 -8.439 -4.362 -5.469 552 HA ALA 72 HA ALA 72 -9.177 -2.151 -7.005 553 HB1 ALA 72 3HB ALA 72 -10.216 -4.995 -7.185 554 HB2 ALA 72 1HB ALA 72 -10.218 -3.788 -8.489 555 HB3 ALA 72 2HB ALA 72 -8.679 -4.419 -7.872 556 H SER 73 H SER 73 -11.172 -3.840 -4.672 557 HA SER 73 HA SER 73 -13.403 -1.909 -5.249 558 HB2 SER 73 1HB SER 73 -13.711 -4.465 -5.712 559 HB3 SER 73 2HB SER 73 -13.905 -4.580 -3.953 560 HG SER 73 HG SER 73 -15.874 -4.201 -5.223 561 H ALA 74 H ALA 74 -11.737 -3.691 -2.609 562 HA ALA 74 HA ALA 74 -13.144 -2.485 -0.468 563 HB1 ALA 74 3HB ALA 74 -11.748 -3.638 0.921 564 HB2 ALA 74 1HB ALA 74 -11.520 -4.581 -0.560 565 HB3 ALA 74 2HB ALA 74 -10.317 -3.357 -0.073 566 H GLU 75 H GLU 75 -13.009 -0.712 0.586 567 HA GLU 75 HA GLU 75 -10.857 1.326 0.217 568 HB2 GLU 75 1HB GLU 75 -13.846 1.632 0.758 569 HB3 GLU 75 2HB GLU 75 -12.676 2.919 0.978 570 HG2 GLU 75 1HG GLU 75 -12.085 2.677 -1.493 571 HG3 GLU 75 2HG GLU 75 -13.468 1.597 -1.638 Start of MODEL 2 1 H1 ALA 1 1H ALA 1 -13.504 18.454 -7.405 2 H2 ALA 1 2H ALA 1 -13.602 20.085 -7.342 3 H3 ALA 1 3H ALA 1 -12.348 19.319 -6.626 4 HA ALA 1 HA ALA 1 -13.949 20.103 -5.013 5 HB1 ALA 1 3HB ALA 1 -15.972 19.968 -6.360 6 HB2 ALA 1 1HB ALA 1 -15.864 18.196 -6.430 7 HB3 ALA 1 2HB ALA 1 -16.165 19.014 -4.881 8 H GLY 2 H GLY 2 -14.444 16.592 -5.790 9 HA2 GLY 2 1HA GLY 2 -12.451 15.794 -3.757 10 HA3 GLY 2 2HA GLY 2 -14.143 15.456 -3.381 11 H HIS 3 H HIS 3 -11.381 14.229 -4.803 12 HA HIS 3 HA HIS 3 -12.807 12.289 -6.582 13 HB2 HIS 3 1HB HIS 3 -9.885 13.022 -6.209 14 HB3 HIS 3 2HB HIS 3 -10.355 11.506 -6.961 15 HD1 HIS 3 HD1 HIS 3 -9.319 14.684 -8.155 16 HD2 HIS 3 HD2 HIS 3 -12.507 12.030 -8.985 17 HE1 HIS 3 HE1 HIS 3 -10.125 15.224 -10.546 18 HE2 HIS 3 HE2 HIS 3 -12.075 13.615 -11.036 19 H MET 4 H MET 4 -13.758 10.775 -5.472 20 HA MET 4 HA MET 4 -12.519 9.461 -3.119 21 HB2 MET 4 1HB MET 4 -15.245 9.498 -4.429 22 HB3 MET 4 2HB MET 4 -14.783 8.035 -3.585 23 HG2 MET 4 1HG MET 4 -15.905 9.321 -1.996 24 HG3 MET 4 2HG MET 4 -14.210 9.406 -1.557 25 HE1 MET 4 3HE MET 4 -13.601 11.377 -0.364 26 HE2 MET 4 1HE MET 4 -12.713 11.790 -1.850 27 HE3 MET 4 2HE MET 4 -13.669 13.029 -1.006 28 HA PRO 5 HA PRO 5 -10.956 5.973 -5.408 29 HB2 PRO 5 1HB PRO 5 -11.384 3.827 -3.769 30 HB3 PRO 5 2HB PRO 5 -10.212 5.124 -3.383 31 HG2 PRO 5 1HG PRO 5 -13.066 4.839 -2.385 32 HG3 PRO 5 2HG PRO 5 -11.599 5.203 -1.435 33 HD2 PRO 5 1HD PRO 5 -13.285 7.140 -2.250 34 HD3 PRO 5 2HD PRO 5 -11.532 7.415 -2.147 35 H GLU 6 H GLU 6 -11.719 4.753 -7.018 36 HA GLU 6 HA GLU 6 -14.391 3.479 -7.019 37 HB2 GLU 6 1HB GLU 6 -13.532 5.767 -8.777 38 HB3 GLU 6 2HB GLU 6 -14.413 4.467 -9.546 39 HG2 GLU 6 1HG GLU 6 -15.667 5.422 -7.015 40 HG3 GLU 6 2HG GLU 6 -15.559 6.627 -8.284 41 H GLY 7 H GLY 7 -14.616 2.087 -9.026 42 HA2 GLY 7 1HA GLY 7 -12.484 1.199 -10.634 43 HA3 GLY 7 2HA GLY 7 -12.465 0.205 -9.174 44 H SER 8 H SER 8 -13.131 -1.690 -10.213 45 HA SER 8 HA SER 8 -16.000 -1.776 -11.055 46 HB2 SER 8 1HB SER 8 -14.387 -1.733 -13.030 47 HB3 SER 8 2HB SER 8 -13.855 -3.338 -12.523 48 HG SER 8 HG SER 8 -16.438 -2.481 -13.362 49 H ALA 9 H ALA 9 -13.448 -4.272 -10.773 50 HA ALA 9 HA ALA 9 -14.382 -5.368 -8.278 51 HB1 ALA 9 3HB ALA 9 -16.098 -6.588 -9.134 52 HB2 ALA 9 1HB ALA 9 -15.546 -6.420 -10.814 53 HB3 ALA 9 2HB ALA 9 -14.837 -7.658 -9.762 54 H SER 10 H SER 10 -12.531 -6.020 -7.369 55 HA SER 10 HA SER 10 -10.594 -7.677 -8.848 56 HB2 SER 10 1HB SER 10 -9.261 -5.543 -7.261 57 HB3 SER 10 2HB SER 10 -8.779 -6.326 -8.765 58 HG SER 10 HG SER 10 -10.547 -4.146 -8.369 59 H LEU 11 H LEU 11 -9.052 -8.736 -7.430 60 HA LEU 11 HA LEU 11 -10.013 -9.014 -4.594 61 HB2 LEU 11 1HB LEU 11 -8.758 -11.183 -6.310 62 HB3 LEU 11 2HB LEU 11 -9.358 -11.332 -4.663 63 HG LEU 11 HG LEU 11 -11.009 -10.881 -7.186 64 HD11 LEU 11 1HD1 LEU 11 -10.103 -13.161 -6.837 65 HD12 LEU 11 2HD1 LEU 11 -11.866 -13.122 -6.682 66 HD13 LEU 11 3HD1 LEU 11 -10.852 -13.208 -5.225 67 HD21 LEU 11 3HD2 LEU 11 -12.988 -11.272 -5.664 68 HD22 LEU 11 1HD2 LEU 11 -12.195 -9.718 -5.432 69 HD23 LEU 11 2HD2 LEU 11 -11.902 -11.034 -4.274 70 H GLN 12 H GLN 12 -7.072 -9.997 -6.372 71 HA GLN 12 HA GLN 12 -5.338 -9.229 -4.146 72 HB2 GLN 12 1HB GLN 12 -5.195 -10.970 -6.450 73 HB3 GLN 12 2HB GLN 12 -3.916 -9.802 -6.633 74 HG2 GLN 12 1HG GLN 12 -2.649 -10.760 -5.054 75 HG3 GLN 12 2HG GLN 12 -3.945 -10.786 -3.867 76 HE21 GLN 12 2HE2 GLN 12 -1.836 -12.875 -5.252 77 HE22 GLN 12 1HE2 GLN 12 -2.878 -14.296 -5.275 78 H LEU 13 H LEU 13 -3.749 -7.646 -4.159 79 HA LEU 13 HA LEU 13 -4.264 -5.236 -5.777 80 HB2 LEU 13 1HB LEU 13 -2.639 -5.965 -3.357 81 HB3 LEU 13 2HB LEU 13 -2.097 -4.595 -4.298 82 HG LEU 13 HG LEU 13 -3.568 -4.097 -2.329 83 HD11 LEU 13 1HD1 LEU 13 -4.847 -2.312 -3.542 84 HD12 LEU 13 2HD1 LEU 13 -4.387 -3.076 -5.067 85 HD13 LEU 13 3HD1 LEU 13 -3.136 -2.407 -3.998 86 HD21 LEU 13 3HD2 LEU 13 -5.898 -4.886 -4.113 87 HD22 LEU 13 1HD2 LEU 13 -5.928 -4.303 -2.444 88 HD23 LEU 13 2HD2 LEU 13 -5.287 -5.905 -2.782 89 H ALA 14 H ALA 14 -3.219 -4.651 -7.509 90 HA ALA 14 HA ALA 14 -0.483 -5.591 -8.105 91 HB1 ALA 14 3HB ALA 14 -1.143 -6.240 -10.396 92 HB2 ALA 14 1HB ALA 14 -2.025 -7.200 -9.198 93 HB3 ALA 14 2HB ALA 14 -2.840 -5.857 -10.029 94 H VAL 15 H VAL 15 0.260 -4.422 -10.204 95 HA VAL 15 HA VAL 15 0.242 -1.598 -9.718 96 HB VAL 15 HB VAL 15 1.144 -3.080 -12.217 97 HG11 VAL 15 1HG1 VAL 15 2.633 -1.000 -12.419 98 HG12 VAL 15 2HG1 VAL 15 0.924 -0.761 -12.788 99 HG13 VAL 15 3HG1 VAL 15 1.576 -0.230 -11.218 100 HG21 VAL 15 3HG2 VAL 15 2.642 -2.211 -9.700 101 HG22 VAL 15 1HG2 VAL 15 2.367 -3.879 -10.251 102 HG23 VAL 15 2HG2 VAL 15 3.412 -2.813 -11.184 103 H GLY 16 H GLY 16 -1.070 -0.035 -10.313 104 HA2 GLY 16 1HA GLY 16 -2.579 1.163 -11.659 105 HA3 GLY 16 2HA GLY 16 -2.963 -0.287 -12.576 106 H ASP 17 H ASP 17 -3.253 -1.430 -9.500 107 HA ASP 17 HA ASP 17 -6.153 -1.152 -9.440 108 HB2 ASP 17 1HB ASP 17 -4.507 -3.071 -8.577 109 HB3 ASP 17 2HB ASP 17 -4.573 -2.140 -7.084 110 H ARG 18 H ARG 18 -7.178 -0.523 -7.239 111 HA ARG 18 HA ARG 18 -6.277 2.268 -6.659 112 HB2 ARG 18 1HB ARG 18 -8.760 1.529 -7.437 113 HB3 ARG 18 2HB ARG 18 -8.941 1.196 -5.718 114 HG2 ARG 18 1HG ARG 18 -9.689 3.440 -5.997 115 HG3 ARG 18 2HG ARG 18 -8.083 3.597 -5.299 116 HD2 ARG 18 1HD ARG 18 -8.062 5.181 -7.009 117 HD3 ARG 18 2HD ARG 18 -7.229 3.808 -7.755 118 HE ARG 18 HE ARG 18 -10.005 3.549 -8.323 119 HH11 ARG 18 1HH1 ARG 18 -7.340 5.537 -9.336 120 HH12 ARG 18 2HH1 ARG 18 -8.148 6.038 -10.805 121 HH21 ARG 18 1HH2 ARG 18 -11.015 4.259 -10.089 122 HH22 ARG 18 2HH2 ARG 18 -10.231 5.356 -11.199 123 H VAL 19 H VAL 19 -6.169 3.098 -4.601 124 HA VAL 19 HA VAL 19 -6.368 1.347 -2.266 125 HB VAL 19 HB VAL 19 -4.162 0.788 -2.856 126 HG11 VAL 19 1HG1 VAL 19 -3.108 2.039 -4.371 127 HG12 VAL 19 2HG1 VAL 19 -3.973 3.515 -3.931 128 HG13 VAL 19 3HG1 VAL 19 -2.573 3.052 -3.007 129 HG21 VAL 19 3HG2 VAL 19 -4.638 1.837 -0.430 130 HG22 VAL 19 1HG2 VAL 19 -3.047 1.264 -0.930 131 HG23 VAL 19 2HG2 VAL 19 -3.425 2.995 -0.957 132 H VAL 20 H VAL 20 -7.088 2.394 -0.613 133 HA VAL 20 HA VAL 20 -6.573 5.259 -0.213 134 HB VAL 20 HB VAL 20 -8.668 5.246 -1.355 135 HG11 VAL 20 1HG1 VAL 20 -10.626 3.949 0.006 136 HG12 VAL 20 2HG1 VAL 20 -9.729 3.254 -1.352 137 HG13 VAL 20 3HG1 VAL 20 -9.282 2.862 0.313 138 HG21 VAL 20 3HG2 VAL 20 -10.104 6.381 0.141 139 HG22 VAL 20 1HG2 VAL 20 -9.407 5.580 1.554 140 HG23 VAL 20 2HG2 VAL 20 -8.452 6.762 0.627 141 H TYR 21 H TYR 21 -6.786 5.858 1.978 142 HA TYR 21 HA TYR 21 -6.389 3.635 3.955 143 HB2 TYR 21 1HB TYR 21 -5.242 6.291 3.488 144 HB3 TYR 21 2HB TYR 21 -5.858 6.140 5.124 145 HD1 TYR 21 HD1 TYR 21 -4.131 3.693 2.836 146 HD2 TYR 21 HD2 TYR 21 -4.072 5.828 6.594 147 HE1 TYR 21 HE1 TYR 21 -2.058 2.530 3.457 148 HE2 TYR 21 HE2 TYR 21 -1.949 4.722 7.196 149 HH TYR 21 HH TYR 21 -0.262 3.405 6.501 150 HA PRO 22 HA PRO 22 -10.221 4.382 5.868 151 HB2 PRO 22 1HB PRO 22 -9.784 3.989 8.546 152 HB3 PRO 22 2HB PRO 22 -9.692 2.682 7.329 153 HG2 PRO 22 1HG PRO 22 -7.404 4.287 8.503 154 HG3 PRO 22 2HG PRO 22 -7.528 2.508 8.308 155 HD2 PRO 22 1HD PRO 22 -6.220 4.083 6.506 156 HD3 PRO 22 2HD PRO 22 -7.145 2.647 5.987 157 H ASN 23 H ASN 23 -7.576 6.446 6.839 158 HA ASN 23 HA ASN 23 -9.326 8.768 6.930 159 HB2 ASN 23 1HB ASN 23 -9.390 7.570 9.274 160 HB3 ASN 23 2HB ASN 23 -7.781 8.220 9.500 161 HD21 ASN 23 2HD2 ASN 23 -7.628 10.663 9.207 162 HD22 ASN 23 1HD2 ASN 23 -9.021 11.614 9.756 163 H GLN 24 H GLN 24 -7.414 8.446 5.063 164 HA GLN 24 HA GLN 24 -5.339 10.451 5.813 165 HB2 GLN 24 1HB GLN 24 -4.622 7.910 6.031 166 HB3 GLN 24 2HB GLN 24 -4.341 8.059 4.297 167 HG2 GLN 24 1HG GLN 24 -3.102 9.872 6.395 168 HG3 GLN 24 2HG GLN 24 -2.369 8.384 5.808 169 HE21 GLN 24 2HE2 GLN 24 -2.449 11.747 5.249 170 HE22 GLN 24 1HE2 GLN 24 -1.755 11.645 3.627 171 H GLY 25 H GLY 25 -6.158 8.408 2.935 172 HA2 GLY 25 1HA GLY 25 -7.338 10.277 1.295 173 HA3 GLY 25 2HA GLY 25 -5.609 10.571 1.073 174 H VAL 26 H VAL 26 -6.818 9.941 -1.118 175 HA VAL 26 HA VAL 26 -6.660 7.027 -1.708 176 HB VAL 26 HB VAL 26 -7.428 9.314 -3.571 177 HG11 VAL 26 1HG1 VAL 26 -7.723 6.279 -3.780 178 HG12 VAL 26 2HG1 VAL 26 -8.519 7.436 -4.866 179 HG13 VAL 26 3HG1 VAL 26 -6.761 7.338 -4.836 180 HG21 VAL 26 3HG2 VAL 26 -9.752 8.614 -3.248 181 HG22 VAL 26 1HG2 VAL 26 -9.244 7.411 -2.041 182 HG23 VAL 26 2HG2 VAL 26 -9.071 9.149 -1.715 183 H CYS 27 H CYS 27 -5.149 6.141 -3.021 184 HA CYS 27 HA CYS 27 -2.965 7.810 -4.167 185 HB2 CYS 27 1HB CYS 27 -2.571 5.219 -2.601 186 HB3 CYS 27 2HB CYS 27 -1.307 6.251 -3.296 187 HG CYS 27 HG CYS 27 -3.470 6.925 -0.885 188 H ARG 28 H ARG 28 -1.537 6.119 -5.547 189 HA ARG 28 HA ARG 28 -3.245 4.118 -6.921 190 HB2 ARG 28 1HB ARG 28 -2.951 6.666 -7.960 191 HB3 ARG 28 2HB ARG 28 -1.623 5.844 -8.764 192 HG2 ARG 28 1HG ARG 28 -3.101 4.343 -9.888 193 HG3 ARG 28 2HG ARG 28 -4.387 4.586 -8.699 194 HD2 ARG 28 1HD ARG 28 -5.071 5.687 -10.686 195 HD3 ARG 28 2HD ARG 28 -4.707 6.910 -9.458 196 HE ARG 28 HE ARG 28 -2.405 6.448 -11.139 197 HH11 ARG 28 1HH1 ARG 28 -5.498 8.088 -11.230 198 HH12 ARG 28 2HH1 ARG 28 -5.008 9.139 -12.527 199 HH21 ARG 28 1HH2 ARG 28 -1.832 7.846 -12.776 200 HH22 ARG 28 2HH2 ARG 28 -2.983 9.011 -13.355 201 H VAL 29 H VAL 29 -2.211 2.271 -7.185 202 HA VAL 29 HA VAL 29 0.430 1.817 -6.197 203 HB VAL 29 HB VAL 29 -1.160 0.029 -8.073 204 HG11 VAL 29 1HG1 VAL 29 1.117 -0.642 -6.141 205 HG12 VAL 29 2HG1 VAL 29 0.217 -1.762 -7.190 206 HG13 VAL 29 3HG1 VAL 29 1.284 -0.569 -7.908 207 HG21 VAL 29 3HG2 VAL 29 -1.719 -1.195 -5.943 208 HG22 VAL 29 1HG2 VAL 29 -1.030 0.159 -5.027 209 HG23 VAL 29 2HG2 VAL 29 -2.466 0.397 -6.052 210 H SER 30 H SER 30 2.323 2.193 -6.996 211 HA SER 30 HA SER 30 2.693 2.711 -9.935 212 HB2 SER 30 1HB SER 30 2.791 4.693 -8.430 213 HB3 SER 30 2HB SER 30 4.168 3.964 -7.591 214 HG SER 30 HG SER 30 5.327 4.053 -9.579 215 H ALA 31 H ALA 31 4.112 1.190 -7.022 216 HA ALA 31 HA ALA 31 5.612 -0.667 -8.727 217 HB1 ALA 31 3HB ALA 31 7.181 1.263 -8.311 218 HB2 ALA 31 1HB ALA 31 7.011 0.981 -6.566 219 HB3 ALA 31 2HB ALA 31 7.744 -0.261 -7.604 220 H ILE 32 H ILE 32 6.316 -2.578 -7.493 221 HA ILE 32 HA ILE 32 5.356 -2.869 -4.713 222 HB ILE 32 HB ILE 32 4.490 -4.814 -6.899 223 HG12 ILE 32 1HG1 ILE 32 2.766 -2.928 -5.228 224 HG13 ILE 32 2HG1 ILE 32 3.105 -2.739 -6.937 225 HG21 ILE 32 1HG2 ILE 32 3.373 -6.049 -5.091 226 HG22 ILE 32 2HG2 ILE 32 5.053 -5.871 -4.673 227 HG23 ILE 32 3HG2 ILE 32 3.853 -4.821 -3.908 228 HD11 ILE 32 3HD1 ILE 32 0.854 -3.677 -6.448 229 HD12 ILE 32 1HD1 ILE 32 1.841 -4.651 -7.556 230 HD13 ILE 32 2HD1 ILE 32 1.595 -5.147 -5.867 231 H ASP 33 H ASP 33 6.763 -4.059 -3.546 232 HA ASP 33 HA ASP 33 8.638 -5.944 -4.835 233 HB2 ASP 33 1HB ASP 33 9.480 -3.437 -3.349 234 HB3 ASP 33 2HB ASP 33 10.478 -4.879 -3.279 235 H VAL 34 H VAL 34 9.951 -7.090 -3.050 236 HA VAL 34 HA VAL 34 8.275 -7.561 -0.611 237 HB VAL 34 HB VAL 34 9.596 -9.733 -2.228 238 HG11 VAL 34 1HG1 VAL 34 9.065 -11.183 -0.628 239 HG12 VAL 34 2HG1 VAL 34 8.675 -9.813 0.419 240 HG13 VAL 34 3HG1 VAL 34 7.404 -10.603 -0.501 241 HG21 VAL 34 3HG2 VAL 34 7.078 -10.378 -2.694 242 HG22 VAL 34 1HG2 VAL 34 6.812 -8.649 -2.395 243 HG23 VAL 34 2HG2 VAL 34 7.890 -9.162 -3.690 244 H LYS 35 H LYS 35 9.395 -7.869 1.217 245 HA LYS 35 HA LYS 35 12.313 -8.311 1.222 246 HB2 LYS 35 1HB LYS 35 12.836 -6.392 2.651 247 HB3 LYS 35 2HB LYS 35 12.285 -5.879 1.063 248 HG2 LYS 35 1HG LYS 35 10.217 -5.096 1.872 249 HG3 LYS 35 2HG LYS 35 10.334 -6.005 3.381 250 HD2 LYS 35 1HD LYS 35 12.486 -3.980 2.922 251 HD3 LYS 35 2HD LYS 35 10.853 -3.350 3.200 252 HE2 LYS 35 1HE LYS 35 10.618 -4.538 5.274 253 HE3 LYS 35 2HE LYS 35 12.111 -5.446 5.008 254 HZ1 LYS 35 3HZ LYS 35 13.158 -3.810 6.107 255 HZ2 LYS 35 1HZ LYS 35 11.823 -2.876 6.186 256 HZ3 LYS 35 2HZ LYS 35 12.824 -2.764 4.904 257 H GLU 36 H GLU 36 13.178 -8.687 3.385 258 HA GLU 36 HA GLU 36 11.229 -10.094 5.144 259 HB2 GLU 36 1HB GLU 36 13.988 -10.573 4.381 260 HB3 GLU 36 2HB GLU 36 13.908 -10.299 6.120 261 HG2 GLU 36 1HG GLU 36 11.912 -11.960 6.084 262 HG3 GLU 36 2HG GLU 36 12.495 -12.414 4.480 263 H VAL 37 H VAL 37 10.311 -8.988 6.700 264 HA VAL 37 HA VAL 37 11.856 -6.878 8.159 265 HB VAL 37 HB VAL 37 9.969 -5.921 6.993 266 HG11 VAL 37 1HG1 VAL 37 7.630 -6.416 7.687 267 HG12 VAL 37 2HG1 VAL 37 8.390 -7.758 6.801 268 HG13 VAL 37 3HG1 VAL 37 8.182 -7.838 8.559 269 HG21 VAL 37 3HG2 VAL 37 9.288 -6.025 9.950 270 HG22 VAL 37 1HG2 VAL 37 10.683 -5.133 9.299 271 HG23 VAL 37 2HG2 VAL 37 9.043 -4.695 8.800 272 H ALA 38 H ALA 38 12.298 -7.268 10.233 273 HA ALA 38 HA ALA 38 12.596 -8.448 12.161 274 HB1 ALA 38 3HB ALA 38 9.565 -8.672 12.073 275 HB2 ALA 38 1HB ALA 38 10.608 -8.588 13.508 276 HB3 ALA 38 2HB ALA 38 10.444 -7.175 12.449 277 H GLY 39 H GLY 39 12.802 -10.173 9.801 278 HA2 GLY 39 1HA GLY 39 13.307 -12.437 9.485 279 HA3 GLY 39 2HA GLY 39 12.613 -12.826 11.051 280 H GLN 40 H GLN 40 10.646 -11.035 8.727 281 HA GLN 40 HA GLN 40 9.261 -13.467 7.745 282 HB2 GLN 40 1HB GLN 40 8.128 -11.350 9.544 283 HB3 GLN 40 2HB GLN 40 7.172 -11.721 8.111 284 HG2 GLN 40 1HG GLN 40 7.453 -14.210 8.743 285 HG3 GLN 40 2HG GLN 40 7.960 -13.619 10.333 286 HE21 GLN 40 2HE2 GLN 40 6.285 -12.341 11.608 287 HE22 GLN 40 1HE2 GLN 40 4.594 -12.556 11.158 288 H LYS 41 H LYS 41 9.202 -13.414 5.630 289 HA LYS 41 HA LYS 41 9.468 -10.871 4.151 290 HB2 LYS 41 1HB LYS 41 10.488 -13.399 3.681 291 HB3 LYS 41 2HB LYS 41 9.073 -13.396 2.628 292 HG2 LYS 41 1HG LYS 41 9.873 -11.172 1.703 293 HG3 LYS 41 2HG LYS 41 11.336 -11.349 2.677 294 HD2 LYS 41 1HD LYS 41 11.929 -13.408 1.504 295 HD3 LYS 41 2HD LYS 41 10.436 -13.332 0.553 296 HE2 LYS 41 1HE LYS 41 11.294 -11.899 -0.930 297 HE3 LYS 41 2HE LYS 41 11.851 -10.794 0.325 298 HZ1 LYS 41 3HZ LYS 41 13.360 -13.248 -0.383 299 HZ2 LYS 41 1HZ LYS 41 13.900 -11.966 0.478 300 HZ3 LYS 41 2HZ LYS 41 13.630 -11.821 -1.125 301 H LEU 42 H LEU 42 7.886 -9.866 2.969 302 HA LEU 42 HA LEU 42 5.422 -11.282 2.294 303 HB2 LEU 42 1HB LEU 42 3.926 -10.308 3.755 304 HB3 LEU 42 2HB LEU 42 5.302 -10.493 4.792 305 HG LEU 42 HG LEU 42 5.736 -7.955 3.768 306 HD11 LEU 42 1HD1 LEU 42 2.797 -7.995 4.366 307 HD12 LEU 42 2HD1 LEU 42 3.353 -8.330 2.727 308 HD13 LEU 42 3HD1 LEU 42 3.818 -6.814 3.462 309 HD21 LEU 42 3HD2 LEU 42 4.836 -7.119 5.927 310 HD22 LEU 42 1HD2 LEU 42 5.935 -8.491 6.119 311 HD23 LEU 42 2HD2 LEU 42 4.181 -8.741 6.254 312 H THR 43 H THR 43 3.983 -10.023 0.888 313 HA THR 43 HA THR 43 5.390 -8.377 -0.979 314 HB THR 43 HB THR 43 2.360 -8.597 -0.799 315 HG1 THR 43 HG1 THR 43 2.529 -10.600 -1.374 316 HG21 THR 43 3HG2 THR 43 3.008 -7.087 -2.538 317 HG22 THR 43 1HG2 THR 43 2.681 -8.631 -3.342 318 HG23 THR 43 2HG2 THR 43 4.357 -8.128 -3.055 319 H PHE 44 H PHE 44 5.925 -6.218 -0.783 320 HA PHE 44 HA PHE 44 4.139 -4.472 0.862 321 HB2 PHE 44 1HB PHE 44 7.049 -4.129 0.103 322 HB3 PHE 44 2HB PHE 44 6.036 -2.920 0.895 323 HD1 PHE 44 HD1 PHE 44 5.265 -3.175 3.209 324 HD2 PHE 44 HD2 PHE 44 7.877 -6.093 1.366 325 HE1 PHE 44 HE1 PHE 44 5.706 -4.221 5.461 326 HE2 PHE 44 HE2 PHE 44 8.283 -7.090 3.601 327 HZ PHE 44 HZ PHE 44 7.182 -6.179 5.593 328 H VAL 45 H VAL 45 2.780 -3.319 -0.249 329 HA VAL 45 HA VAL 45 3.191 -2.785 -3.130 330 HB VAL 45 HB VAL 45 0.898 -1.906 -3.103 331 HG11 VAL 45 1HG1 VAL 45 -0.163 -4.092 -2.982 332 HG12 VAL 45 2HG1 VAL 45 1.420 -4.220 -3.753 333 HG13 VAL 45 3HG1 VAL 45 1.224 -4.744 -2.075 334 HG21 VAL 45 3HG2 VAL 45 -0.606 -2.406 -1.250 335 HG22 VAL 45 1HG2 VAL 45 0.713 -3.114 -0.299 336 HG23 VAL 45 2HG2 VAL 45 0.714 -1.379 -0.661 337 H THR 46 H THR 46 3.669 -0.757 -3.976 338 HA THR 46 HA THR 46 3.884 1.524 -2.075 339 HB THR 46 HB THR 46 5.771 1.033 -4.389 340 HG1 THR 46 HG1 THR 46 7.235 0.419 -2.777 341 HG21 THR 46 3HG2 THR 46 7.171 2.675 -3.142 342 HG22 THR 46 1HG2 THR 46 5.871 2.868 -1.948 343 HG23 THR 46 2HG2 THR 46 5.630 3.387 -3.628 344 H MET 47 H MET 47 3.003 3.346 -2.621 345 HA MET 47 HA MET 47 1.945 3.786 -5.393 346 HB2 MET 47 1HB MET 47 0.627 4.581 -2.777 347 HB3 MET 47 2HB MET 47 -0.072 4.636 -4.385 348 HG2 MET 47 1HG MET 47 -0.882 2.580 -4.115 349 HG3 MET 47 2HG MET 47 0.707 1.918 -3.972 350 HE1 MET 47 3HE MET 47 -0.940 0.090 -1.076 351 HE2 MET 47 1HE MET 47 -1.608 0.472 -2.682 352 HE3 MET 47 2HE MET 47 0.099 0.010 -2.523 353 H ARG 48 H ARG 48 1.485 5.998 -5.892 354 HA ARG 48 HA ARG 48 3.094 8.053 -4.410 355 HB2 ARG 48 1HB ARG 48 3.281 7.186 -7.282 356 HB3 ARG 48 2HB ARG 48 3.518 8.897 -6.906 357 HG2 ARG 48 1HG ARG 48 5.441 8.572 -5.718 358 HG3 ARG 48 2HG ARG 48 4.988 6.975 -5.137 359 HD2 ARG 48 1HD ARG 48 6.918 6.896 -6.669 360 HD3 ARG 48 2HD ARG 48 5.554 5.909 -7.175 361 HE ARG 48 HE ARG 48 5.370 7.125 -9.099 362 HH11 ARG 48 1HH1 ARG 48 7.307 9.104 -6.951 363 HH12 ARG 48 2HH1 ARG 48 7.591 10.311 -8.174 364 HH21 ARG 48 1HH2 ARG 48 5.763 8.687 -10.599 365 HH22 ARG 48 2HH2 ARG 48 6.743 10.067 -10.195 366 H ARG 49 H ARG 49 1.683 9.303 -3.556 367 HA ARG 49 HA ARG 49 -0.892 9.963 -4.892 368 HB2 ARG 49 1HB ARG 49 -1.458 11.191 -2.885 369 HB3 ARG 49 2HB ARG 49 -1.081 9.512 -2.596 370 HG2 ARG 49 1HG ARG 49 0.314 9.974 -0.994 371 HG3 ARG 49 2HG ARG 49 1.328 10.951 -2.050 372 HD2 ARG 49 1HD ARG 49 0.292 12.949 -1.449 373 HD3 ARG 49 2HD ARG 49 -1.216 12.159 -0.958 374 HE ARG 49 HE ARG 49 1.015 11.389 0.731 375 HH11 ARG 49 1HH1 ARG 49 -1.330 14.009 0.402 376 HH12 ARG 49 2HH1 ARG 49 -1.453 14.193 2.106 377 HH21 ARG 49 1HH2 ARG 49 1.007 11.937 2.873 378 HH22 ARG 49 2HH2 ARG 49 -0.004 13.236 3.419 379 H GLU 50 H GLU 50 -0.751 11.293 -6.475 380 HA GLU 50 HA GLU 50 1.155 13.358 -6.916 381 HB2 GLU 50 1HB GLU 50 -1.684 13.095 -7.978 382 HB3 GLU 50 2HB GLU 50 -0.419 14.134 -8.656 383 HG2 GLU 50 1HG GLU 50 0.965 12.146 -9.157 384 HG3 GLU 50 2HG GLU 50 -0.297 11.088 -8.516 385 H GLU 51 H GLU 51 -1.678 13.368 -4.940 386 HA GLU 51 HA GLU 51 -2.466 16.049 -4.894 387 HB2 GLU 51 1HB GLU 51 -3.526 13.928 -3.903 388 HB3 GLU 51 2HB GLU 51 -2.520 14.194 -2.478 389 HG2 GLU 51 1HG GLU 51 -3.588 16.350 -2.071 390 HG3 GLU 51 2HG GLU 51 -4.408 16.296 -3.634 391 H ASP 52 H ASP 52 0.097 14.520 -3.015 392 HA ASP 52 HA ASP 52 1.207 17.210 -2.288 393 HB2 ASP 52 1HB ASP 52 1.032 14.800 -0.449 394 HB3 ASP 52 2HB ASP 52 1.989 16.232 -0.126 395 H GLY 53 H GLY 53 1.717 14.641 -4.178 396 HA2 GLY 53 1HA GLY 53 3.504 13.700 -5.252 397 HA3 GLY 53 2HA GLY 53 4.514 15.017 -4.641 398 H ALA 54 H ALA 54 2.744 12.614 -2.634 399 HA ALA 54 HA ALA 54 5.383 11.948 -1.373 400 HB1 ALA 54 3HB ALA 54 2.973 11.151 0.110 401 HB2 ALA 54 1HB ALA 54 4.399 12.054 0.636 402 HB3 ALA 54 2HB ALA 54 3.073 12.908 -0.164 403 H VAL 55 H VAL 55 5.351 9.689 -0.330 404 HA VAL 55 HA VAL 55 4.181 7.708 -2.232 405 HB VAL 55 HB VAL 55 6.005 6.205 -1.849 406 HG11 VAL 55 1HG1 VAL 55 6.078 8.449 -3.470 407 HG12 VAL 55 2HG1 VAL 55 7.630 8.548 -2.637 408 HG13 VAL 55 3HG1 VAL 55 7.199 7.081 -3.537 409 HG21 VAL 55 3HG2 VAL 55 7.318 8.416 -0.211 410 HG22 VAL 55 1HG2 VAL 55 6.780 6.830 0.386 411 HG23 VAL 55 2HG2 VAL 55 8.113 6.930 -0.770 412 H VAL 56 H VAL 56 3.257 5.910 -1.474 413 HA VAL 56 HA VAL 56 2.908 5.603 1.491 414 HB VAL 56 HB VAL 56 0.715 5.233 -0.585 415 HG11 VAL 56 1HG1 VAL 56 -0.562 5.082 1.797 416 HG12 VAL 56 2HG1 VAL 56 0.067 3.667 0.953 417 HG13 VAL 56 3HG1 VAL 56 0.991 4.392 2.286 418 HG21 VAL 56 3HG2 VAL 56 1.221 7.351 1.535 419 HG22 VAL 56 1HG2 VAL 56 0.985 7.565 -0.218 420 HG23 VAL 56 2HG2 VAL 56 -0.368 7.078 0.801 421 H MET 57 H MET 57 3.956 3.851 2.048 422 HA MET 57 HA MET 57 3.918 1.461 0.259 423 HB2 MET 57 1HB MET 57 6.145 2.570 0.334 424 HB3 MET 57 2HB MET 57 6.197 2.305 2.083 425 HG2 MET 57 1HG MET 57 6.062 -0.132 1.740 426 HG3 MET 57 2HG MET 57 5.858 0.105 0.005 427 HE1 MET 57 3HE MET 57 9.350 -1.507 -0.060 428 HE2 MET 57 1HE MET 57 8.095 -1.926 1.121 429 HE3 MET 57 2HE MET 57 7.648 -1.570 -0.568 430 H VAL 58 H VAL 58 2.831 -0.174 1.111 431 HA VAL 58 HA VAL 58 2.886 -0.575 4.059 432 HB VAL 58 HB VAL 58 0.508 -0.954 4.226 433 HG11 VAL 58 1HG1 VAL 58 1.255 1.365 4.560 434 HG12 VAL 58 2HG1 VAL 58 0.897 1.717 2.848 435 HG13 VAL 58 3HG1 VAL 58 -0.402 1.206 3.939 436 HG21 VAL 58 3HG2 VAL 58 -0.873 -1.317 2.624 437 HG22 VAL 58 1HG2 VAL 58 -0.407 0.152 1.697 438 HG23 VAL 58 2HG2 VAL 58 0.456 -1.360 1.480 439 HA PRO 59 HA PRO 59 3.181 -4.836 3.004 440 HB2 PRO 59 1HB PRO 59 2.264 -6.040 5.257 441 HB3 PRO 59 2HB PRO 59 3.794 -5.163 5.214 442 HG2 PRO 59 1HG PRO 59 1.116 -4.139 6.166 443 HG3 PRO 59 2HG PRO 59 2.703 -4.022 7.003 444 HD2 PRO 59 1HD PRO 59 1.747 -1.979 5.562 445 HD3 PRO 59 2HD PRO 59 3.478 -2.398 5.478 446 H GLU 60 H GLU 60 1.881 -5.763 1.478 447 HA GLU 60 HA GLU 60 -0.996 -5.627 1.447 448 HB2 GLU 60 1HB GLU 60 1.047 -6.452 -0.358 449 HB3 GLU 60 2HB GLU 60 -0.005 -7.847 -0.154 450 HG2 GLU 60 1HG GLU 60 -0.822 -5.028 -0.898 451 HG3 GLU 60 2HG GLU 60 -0.666 -6.367 -2.017 452 H GLY 61 H GLY 61 1.234 -8.113 2.606 453 HA2 GLY 61 1HA GLY 61 -0.979 -9.959 3.376 454 HA3 GLY 61 2HA GLY 61 0.753 -10.285 3.493 455 H LYS 62 H LYS 62 0.103 -7.268 4.800 456 HA LYS 62 HA LYS 62 -0.459 -8.280 7.563 457 HB2 LYS 62 1HB LYS 62 2.088 -7.788 6.756 458 HB3 LYS 62 2HB LYS 62 1.603 -6.168 7.281 459 HG2 LYS 62 1HG LYS 62 1.215 -6.879 9.501 460 HG3 LYS 62 2HG LYS 62 1.518 -8.578 9.072 461 HD2 LYS 62 1HD LYS 62 3.798 -8.279 8.806 462 HD3 LYS 62 2HD LYS 62 3.691 -6.582 8.319 463 HE2 LYS 62 1HE LYS 62 3.672 -5.783 10.451 464 HE3 LYS 62 2HE LYS 62 2.767 -7.147 11.109 465 HZ1 LYS 62 3HZ LYS 62 5.160 -6.983 11.822 466 HZ2 LYS 62 1HZ LYS 62 5.610 -7.411 10.311 467 HZ3 LYS 62 2HZ LYS 62 4.728 -8.438 11.232 468 H VAL 63 H VAL 63 -1.416 -6.125 5.209 469 HA VAL 63 HA VAL 63 -2.081 -3.746 6.409 470 HB VAL 63 HB VAL 63 -4.183 -3.796 5.096 471 HG11 VAL 63 1HG1 VAL 63 -3.181 -3.048 3.291 472 HG12 VAL 63 2HG1 VAL 63 -1.735 -3.157 4.295 473 HG13 VAL 63 3HG1 VAL 63 -2.090 -4.424 3.103 474 HG21 VAL 63 3HG2 VAL 63 -3.401 -6.142 3.462 475 HG22 VAL 63 1HG2 VAL 63 -4.108 -6.523 5.024 476 HG23 VAL 63 2HG2 VAL 63 -4.993 -5.504 3.877 477 H LEU 64 H LEU 64 -3.540 -6.792 7.125 478 HA LEU 64 HA LEU 64 -5.883 -6.052 8.492 479 HB2 LEU 64 1HB LEU 64 -4.052 -8.320 9.344 480 HB3 LEU 64 2HB LEU 64 -5.802 -8.223 9.481 481 HG LEU 64 HG LEU 64 -4.160 -8.689 6.934 482 HD11 LEU 64 1HD1 LEU 64 -4.486 -10.607 8.497 483 HD12 LEU 64 2HD1 LEU 64 -5.296 -10.842 6.938 484 HD13 LEU 64 3HD1 LEU 64 -6.245 -10.390 8.371 485 HD21 LEU 64 3HD2 LEU 64 -6.349 -8.964 5.787 486 HD22 LEU 64 1HD2 LEU 64 -6.109 -7.298 6.328 487 HD23 LEU 64 2HD2 LEU 64 -7.182 -8.381 7.249 488 H ALA 65 H ALA 65 -2.520 -5.997 9.595 489 HA ALA 65 HA ALA 65 -3.036 -5.483 12.397 490 HB1 ALA 65 3HB ALA 65 -0.962 -6.548 11.516 491 HB2 ALA 65 1HB ALA 65 -0.528 -5.022 10.714 492 HB3 ALA 65 2HB ALA 65 -0.621 -5.099 12.482 493 H ILE 66 H ILE 66 -2.046 -3.389 9.651 494 HA ILE 66 HA ILE 66 -2.163 -0.910 11.156 495 HB ILE 66 HB ILE 66 -2.324 -1.265 8.142 496 HG12 ILE 66 1HG1 ILE 66 0.291 -0.462 8.710 497 HG13 ILE 66 2HG1 ILE 66 -0.030 -1.567 10.036 498 HG21 ILE 66 1HG2 ILE 66 -1.366 0.995 8.032 499 HG22 ILE 66 2HG2 ILE 66 -2.890 1.035 8.910 500 HG23 ILE 66 3HG2 ILE 66 -1.364 1.105 9.806 501 HD11 ILE 66 3HD1 ILE 66 -0.225 -2.126 7.046 502 HD12 ILE 66 1HD1 ILE 66 0.960 -2.774 8.206 503 HD13 ILE 66 2HD1 ILE 66 -0.734 -3.284 8.294 504 H GLY 67 H GLY 67 -4.566 -2.795 9.431 505 HA2 GLY 67 1HA GLY 67 -6.893 -2.713 9.646 506 HA3 GLY 67 2HA GLY 67 -6.786 -1.174 10.504 507 H VAL 68 H VAL 68 -5.112 -1.540 7.486 508 HA VAL 68 HA VAL 68 -6.822 0.542 6.211 509 HB VAL 68 HB VAL 68 -4.901 0.789 4.639 510 HG11 VAL 68 1HG1 VAL 68 -4.867 2.431 6.183 511 HG12 VAL 68 2HG1 VAL 68 -4.751 1.350 7.581 512 HG13 VAL 68 3HG1 VAL 68 -3.335 1.709 6.580 513 HG21 VAL 68 3HG2 VAL 68 -2.691 -0.254 6.043 514 HG22 VAL 68 1HG2 VAL 68 -3.833 -1.596 5.972 515 HG23 VAL 68 2HG2 VAL 68 -3.327 -0.787 4.497 516 H ARG 69 H ARG 69 -8.223 0.070 4.605 517 HA ARG 69 HA ARG 69 -7.976 -2.618 3.262 518 HB2 ARG 69 1HB ARG 69 -10.512 -0.947 3.459 519 HB3 ARG 69 2HB ARG 69 -10.331 -2.605 2.940 520 HG2 ARG 69 1HG ARG 69 -10.034 -1.549 5.787 521 HG3 ARG 69 2HG ARG 69 -11.326 -2.550 5.121 522 HD2 ARG 69 1HD ARG 69 -9.299 -4.181 4.534 523 HD3 ARG 69 2HD ARG 69 -8.498 -3.305 5.853 524 HE ARG 69 HE ARG 69 -10.951 -4.005 6.927 525 HH11 ARG 69 1HH1 ARG 69 -8.393 -5.872 5.477 526 HH12 ARG 69 2HH1 ARG 69 -8.923 -7.365 6.201 527 HH21 ARG 69 1HH2 ARG 69 -11.586 -5.930 7.852 528 HH22 ARG 69 2HH2 ARG 69 -10.664 -7.374 7.561 529 H LYS 70 H LYS 70 -7.007 -2.388 1.345 530 HA LYS 70 HA LYS 70 -7.493 0.138 -0.222 531 HB2 LYS 70 1HB LYS 70 -5.504 -0.562 -1.520 532 HB3 LYS 70 2HB LYS 70 -5.211 -0.155 0.167 533 HG2 LYS 70 1HG LYS 70 -5.640 -3.075 -0.339 534 HG3 LYS 70 2HG LYS 70 -4.263 -2.365 -1.175 535 HD2 LYS 70 1HD LYS 70 -4.740 -2.161 1.821 536 HD3 LYS 70 2HD LYS 70 -3.698 -3.334 1.004 537 HE2 LYS 70 1HE LYS 70 -2.046 -1.850 1.186 538 HE3 LYS 70 2HE LYS 70 -2.805 -1.040 -0.169 539 HZ1 LYS 70 3HZ LYS 70 -4.126 0.255 1.594 540 HZ2 LYS 70 1HZ LYS 70 -2.538 0.625 1.501 541 HZ3 LYS 70 2HZ LYS 70 -3.092 -0.335 2.707 542 H VAL 71 H VAL 71 -9.235 -0.045 -1.420 543 HA VAL 71 HA VAL 71 -9.366 -2.152 -3.467 544 HB VAL 71 HB VAL 71 -11.879 -1.760 -1.854 545 HG11 VAL 71 1HG1 VAL 71 -11.493 -4.494 -2.609 546 HG12 VAL 71 2HG1 VAL 71 -12.606 -3.312 -3.303 547 HG13 VAL 71 3HG1 VAL 71 -10.979 -3.535 -3.984 548 HG21 VAL 71 3HG2 VAL 71 -9.833 -3.808 -0.950 549 HG22 VAL 71 1HG2 VAL 71 -10.372 -2.377 -0.032 550 HG23 VAL 71 2HG2 VAL 71 -11.504 -3.676 -0.402 551 H ALA 72 H ALA 72 -11.493 -1.777 -4.791 552 HA ALA 72 HA ALA 72 -11.536 0.822 -5.921 553 HB1 ALA 72 3HB ALA 72 -13.543 -0.096 -7.105 554 HB2 ALA 72 1HB ALA 72 -12.156 -1.208 -7.127 555 HB3 ALA 72 2HB ALA 72 -13.523 -1.495 -6.021 556 H SER 73 H SER 73 -13.214 -0.324 -3.111 557 HA SER 73 HA SER 73 -14.650 2.287 -2.828 558 HB2 SER 73 1HB SER 73 -15.882 -0.468 -2.742 559 HB3 SER 73 2HB SER 73 -16.534 0.811 -1.709 560 HG SER 73 HG SER 73 -17.015 2.037 -3.482 561 H ALA 74 H ALA 74 -13.889 -0.761 -1.043 562 HA ALA 74 HA ALA 74 -14.074 0.292 1.573 563 HB1 ALA 74 3HB ALA 74 -13.168 -2.159 0.291 564 HB2 ALA 74 1HB ALA 74 -12.095 -1.700 1.625 565 HB3 ALA 74 2HB ALA 74 -13.831 -1.891 1.908 566 H GLU 75 H GLU 75 -12.638 1.009 3.055 567 HA GLU 75 HA GLU 75 -10.035 2.159 2.229 568 HB2 GLU 75 1HB GLU 75 -10.516 4.246 3.239 569 HB3 GLU 75 2HB GLU 75 -11.737 3.911 2.019 570 HG2 GLU 75 1HG GLU 75 -13.363 3.306 3.766 571 HG3 GLU 75 2HG GLU 75 -12.137 3.533 5.015 Start of MODEL 3 1 H1 ALA 1 1H ALA 1 -14.843 13.751 4.294 2 H2 ALA 1 2H ALA 1 -14.419 15.331 4.394 3 H3 ALA 1 3H ALA 1 -15.710 14.774 5.235 4 HA ALA 1 HA ALA 1 -16.603 14.096 2.923 5 HB1 ALA 1 3HB ALA 1 -17.808 15.632 4.369 6 HB2 ALA 1 1HB ALA 1 -16.685 16.956 3.981 7 HB3 ALA 1 2HB ALA 1 -17.756 16.294 2.727 8 H GLY 2 H GLY 2 -16.279 14.295 0.741 9 HA2 GLY 2 1HA GLY 2 -15.216 16.232 -0.835 10 HA3 GLY 2 2HA GLY 2 -13.759 15.436 -0.222 11 H HIS 3 H HIS 3 -13.543 15.084 -2.621 12 HA HIS 3 HA HIS 3 -15.108 13.203 -4.094 13 HB2 HIS 3 1HB HIS 3 -12.154 13.942 -4.272 14 HB3 HIS 3 2HB HIS 3 -12.944 12.852 -5.403 15 HD1 HIS 3 HD1 HIS 3 -15.228 14.032 -6.685 16 HD2 HIS 3 HD2 HIS 3 -12.185 16.454 -5.017 17 HE1 HIS 3 HE1 HIS 3 -15.462 16.352 -7.776 18 HE2 HIS 3 HE2 HIS 3 -13.607 17.823 -6.761 19 H MET 4 H MET 4 -15.223 11.087 -4.190 20 HA MET 4 HA MET 4 -13.826 9.394 -2.199 21 HB2 MET 4 1HB MET 4 -16.355 9.272 -3.809 22 HB3 MET 4 2HB MET 4 -15.553 7.733 -3.583 23 HG2 MET 4 1HG MET 4 -16.143 7.566 -1.457 24 HG3 MET 4 2HG MET 4 -15.617 9.195 -1.051 25 HE1 MET 4 3HE MET 4 -19.187 7.779 -0.007 26 HE2 MET 4 1HE MET 4 -17.466 7.835 0.425 27 HE3 MET 4 2HE MET 4 -18.516 9.224 0.781 28 HA PRO 5 HA PRO 5 -11.130 7.398 -5.131 29 HB2 PRO 5 1HB PRO 5 -11.017 4.811 -4.259 30 HB3 PRO 5 2HB PRO 5 -10.341 6.184 -3.330 31 HG2 PRO 5 1HG PRO 5 -13.060 4.867 -2.969 32 HG3 PRO 5 2HG PRO 5 -11.843 5.241 -1.722 33 HD2 PRO 5 1HD PRO 5 -13.909 6.887 -2.165 34 HD3 PRO 5 2HD PRO 5 -12.289 7.530 -1.772 35 H GLU 6 H GLU 6 -11.593 6.961 -7.212 36 HA GLU 6 HA GLU 6 -13.652 4.927 -7.936 37 HB2 GLU 6 1HB GLU 6 -13.301 7.573 -9.390 38 HB3 GLU 6 2HB GLU 6 -14.480 6.296 -9.711 39 HG2 GLU 6 1HG GLU 6 -15.428 6.731 -7.383 40 HG3 GLU 6 2HG GLU 6 -14.383 8.152 -7.305 41 H GLY 7 H GLY 7 -12.705 3.347 -9.040 42 HA2 GLY 7 1HA GLY 7 -10.886 3.791 -11.266 43 HA3 GLY 7 2HA GLY 7 -10.093 3.082 -9.854 44 H SER 8 H SER 8 -9.790 1.425 -11.666 45 HA SER 8 HA SER 8 -11.787 -0.219 -12.726 46 HB2 SER 8 1HB SER 8 -8.958 -1.089 -12.028 47 HB3 SER 8 2HB SER 8 -10.001 -1.717 -13.314 48 HG SER 8 HG SER 8 -9.846 0.335 -14.339 49 H ALA 9 H ALA 9 -13.357 -0.978 -11.261 50 HA ALA 9 HA ALA 9 -12.839 -2.039 -8.707 51 HB1 ALA 9 3HB ALA 9 -15.050 -1.212 -9.622 52 HB2 ALA 9 1HB ALA 9 -15.215 -2.777 -10.455 53 HB3 ALA 9 2HB ALA 9 -15.129 -2.713 -8.682 54 H SER 10 H SER 10 -12.074 -3.929 -7.952 55 HA SER 10 HA SER 10 -12.446 -6.462 -9.360 56 HB2 SER 10 1HB SER 10 -10.298 -5.269 -10.285 57 HB3 SER 10 2HB SER 10 -9.582 -5.703 -8.724 58 HG SER 10 HG SER 10 -10.064 -7.248 -10.895 59 H LEU 11 H LEU 11 -11.344 -8.258 -8.107 60 HA LEU 11 HA LEU 11 -12.023 -8.040 -5.230 61 HB2 LEU 11 1HB LEU 11 -11.104 -10.408 -6.937 62 HB3 LEU 11 2HB LEU 11 -11.368 -10.458 -5.202 63 HG LEU 11 HG LEU 11 -13.781 -9.582 -5.739 64 HD11 LEU 11 1HD1 LEU 11 -13.501 -9.168 -8.163 65 HD12 LEU 11 2HD1 LEU 11 -14.656 -10.471 -7.893 66 HD13 LEU 11 3HD1 LEU 11 -13.000 -10.856 -8.407 67 HD21 LEU 11 3HD2 LEU 11 -14.540 -11.921 -5.999 68 HD22 LEU 11 1HD2 LEU 11 -13.263 -11.780 -4.785 69 HD23 LEU 11 2HD2 LEU 11 -12.878 -12.417 -6.400 70 H GLN 12 H GLN 12 -9.181 -9.184 -7.045 71 HA GLN 12 HA GLN 12 -7.383 -8.890 -4.756 72 HB2 GLN 12 1HB GLN 12 -7.484 -10.593 -6.891 73 HB3 GLN 12 2HB GLN 12 -6.321 -9.436 -7.518 74 HG2 GLN 12 1HG GLN 12 -4.758 -9.908 -5.774 75 HG3 GLN 12 2HG GLN 12 -5.993 -10.612 -4.726 76 HE21 GLN 12 2HE2 GLN 12 -7.173 -12.650 -5.816 77 HE22 GLN 12 1HE2 GLN 12 -6.026 -13.785 -6.514 78 H LEU 13 H LEU 13 -5.110 -7.852 -5.414 79 HA LEU 13 HA LEU 13 -5.627 -5.121 -6.496 80 HB2 LEU 13 1HB LEU 13 -5.224 -5.559 -3.923 81 HB3 LEU 13 2HB LEU 13 -3.542 -5.716 -4.391 82 HG LEU 13 HG LEU 13 -4.078 -3.509 -3.537 83 HD11 LEU 13 1HD1 LEU 13 -3.059 -2.122 -5.125 84 HD12 LEU 13 2HD1 LEU 13 -3.613 -3.090 -6.493 85 HD13 LEU 13 3HD1 LEU 13 -2.366 -3.730 -5.395 86 HD21 LEU 13 3HD2 LEU 13 -6.465 -3.470 -4.264 87 HD22 LEU 13 1HD2 LEU 13 -5.942 -3.086 -5.910 88 HD23 LEU 13 2HD2 LEU 13 -5.584 -1.962 -4.590 89 H ALA 14 H ALA 14 -4.505 -4.546 -8.164 90 HA ALA 14 HA ALA 14 -1.891 -5.817 -8.835 91 HB1 ALA 14 3HB ALA 14 -2.582 -5.919 -11.191 92 HB2 ALA 14 1HB ALA 14 -3.709 -6.847 -10.184 93 HB3 ALA 14 2HB ALA 14 -4.170 -5.236 -10.779 94 H VAL 15 H VAL 15 -0.746 -4.526 -10.585 95 HA VAL 15 HA VAL 15 -0.311 -1.852 -9.629 96 HB VAL 15 HB VAL 15 0.635 -3.105 -12.233 97 HG11 VAL 15 1HG1 VAL 15 0.889 -0.665 -12.308 98 HG12 VAL 15 2HG1 VAL 15 1.571 -0.651 -10.664 99 HG13 VAL 15 3HG1 VAL 15 2.471 -1.383 -12.008 100 HG21 VAL 15 3HG2 VAL 15 2.751 -3.495 -10.972 101 HG22 VAL 15 1HG2 VAL 15 1.961 -2.925 -9.483 102 HG23 VAL 15 2HG2 VAL 15 1.412 -4.412 -10.286 103 H GLY 16 H GLY 16 -1.141 0.043 -10.184 104 HA2 GLY 16 1HA GLY 16 -2.162 1.686 -11.525 105 HA3 GLY 16 2HA GLY 16 -2.726 0.459 -12.653 106 H ASP 17 H ASP 17 -3.634 -0.894 -9.798 107 HA ASP 17 HA ASP 17 -6.395 -0.052 -10.001 108 HB2 ASP 17 1HB ASP 17 -5.286 -2.287 -9.142 109 HB3 ASP 17 2HB ASP 17 -5.242 -1.453 -7.586 110 H ARG 18 H ARG 18 -7.594 0.898 -8.192 111 HA ARG 18 HA ARG 18 -6.270 3.362 -7.136 112 HB2 ARG 18 1HB ARG 18 -9.051 2.514 -7.717 113 HB3 ARG 18 2HB ARG 18 -8.920 3.236 -6.123 114 HG2 ARG 18 1HG ARG 18 -7.807 4.592 -8.608 115 HG3 ARG 18 2HG ARG 18 -9.483 4.761 -8.059 116 HD2 ARG 18 1HD ARG 18 -8.595 5.538 -5.818 117 HD3 ARG 18 2HD ARG 18 -6.997 5.657 -6.557 118 HE ARG 18 HE ARG 18 -9.256 7.462 -6.879 119 HH11 ARG 18 1HH1 ARG 18 -6.340 6.495 -8.525 120 HH12 ARG 18 2HH1 ARG 18 -6.381 7.880 -9.585 121 HH21 ARG 18 1HH2 ARG 18 -9.289 9.163 -8.275 122 HH22 ARG 18 2HH2 ARG 18 -7.999 9.354 -9.416 123 H VAL 19 H VAL 19 -6.383 3.915 -4.916 124 HA VAL 19 HA VAL 19 -6.841 1.788 -2.934 125 HB VAL 19 HB VAL 19 -4.610 2.273 -1.904 126 HG11 VAL 19 1HG1 VAL 19 -3.366 0.665 -3.231 127 HG12 VAL 19 2HG1 VAL 19 -5.073 0.181 -3.272 128 HG13 VAL 19 3HG1 VAL 19 -4.360 0.999 -4.661 129 HG21 VAL 19 3HG2 VAL 19 -4.007 4.304 -3.076 130 HG22 VAL 19 1HG2 VAL 19 -2.770 3.073 -3.281 131 HG23 VAL 19 2HG2 VAL 19 -3.876 3.425 -4.616 132 H VAL 20 H VAL 20 -7.503 2.574 -1.012 133 HA VAL 20 HA VAL 20 -7.163 5.438 -0.347 134 HB VAL 20 HB VAL 20 -9.299 5.275 -1.468 135 HG11 VAL 20 1HG1 VAL 20 -10.017 3.057 -1.362 136 HG12 VAL 20 2HG1 VAL 20 -9.796 2.960 0.392 137 HG13 VAL 20 3HG1 VAL 20 -11.153 3.857 -0.268 138 HG21 VAL 20 3HG2 VAL 20 -9.901 5.522 1.483 139 HG22 VAL 20 1HG2 VAL 20 -9.148 6.798 0.489 140 HG23 VAL 20 2HG2 VAL 20 -10.781 6.234 0.131 141 H TYR 21 H TYR 21 -7.412 5.858 1.906 142 HA TYR 21 HA TYR 21 -6.835 3.515 3.697 143 HB2 TYR 21 1HB TYR 21 -5.850 6.277 3.464 144 HB3 TYR 21 2HB TYR 21 -6.425 5.908 5.070 145 HD1 TYR 21 HD1 TYR 21 -4.603 3.709 2.573 146 HD2 TYR 21 HD2 TYR 21 -4.572 5.619 6.454 147 HE1 TYR 21 HE1 TYR 21 -2.359 2.703 3.088 148 HE2 TYR 21 HE2 TYR 21 -2.345 4.695 6.903 149 HH TYR 21 HH TYR 21 -0.638 3.470 6.141 150 HA PRO 22 HA PRO 22 -10.646 3.777 5.758 151 HB2 PRO 22 1HB PRO 22 -10.086 3.231 8.372 152 HB3 PRO 22 2HB PRO 22 -9.893 2.037 7.057 153 HG2 PRO 22 1HG PRO 22 -7.753 3.766 8.321 154 HG3 PRO 22 2HG PRO 22 -7.694 2.014 7.956 155 HD2 PRO 22 1HD PRO 22 -6.623 3.915 6.289 156 HD3 PRO 22 2HD PRO 22 -7.331 2.412 5.666 157 H ASN 23 H ASN 23 -8.141 5.916 7.005 158 HA ASN 23 HA ASN 23 -10.044 8.119 7.214 159 HB2 ASN 23 1HB ASN 23 -10.193 6.745 9.408 160 HB3 ASN 23 2HB ASN 23 -8.565 7.301 9.759 161 HD21 ASN 23 2HD2 ASN 23 -8.733 8.990 11.246 162 HD22 ASN 23 1HD2 ASN 23 -10.009 10.206 11.189 163 H GLN 24 H GLN 24 -8.157 8.225 5.399 164 HA GLN 24 HA GLN 24 -6.156 10.172 6.406 165 HB2 GLN 24 1HB GLN 24 -5.456 7.548 6.306 166 HB3 GLN 24 2HB GLN 24 -4.915 8.039 4.713 167 HG2 GLN 24 1HG GLN 24 -4.098 9.688 7.120 168 HG3 GLN 24 2HG GLN 24 -3.415 8.085 6.933 169 HE21 GLN 24 2HE2 GLN 24 -2.364 7.567 4.730 170 HE22 GLN 24 1HE2 GLN 24 -1.406 8.890 4.087 171 H GLY 25 H GLY 25 -6.819 8.336 3.350 172 HA2 GLY 25 1HA GLY 25 -7.836 10.340 1.744 173 HA3 GLY 25 2HA GLY 25 -6.085 10.588 1.683 174 H VAL 26 H VAL 26 -6.718 10.176 -0.628 175 HA VAL 26 HA VAL 26 -6.726 7.294 -1.409 176 HB VAL 26 HB VAL 26 -8.522 8.737 -2.302 177 HG11 VAL 26 1HG1 VAL 26 -7.294 10.880 -2.555 178 HG12 VAL 26 2HG1 VAL 26 -6.351 10.172 -3.886 179 HG13 VAL 26 3HG1 VAL 26 -8.103 10.381 -4.045 180 HG21 VAL 26 3HG2 VAL 26 -8.372 8.067 -4.634 181 HG22 VAL 26 1HG2 VAL 26 -6.649 7.687 -4.452 182 HG23 VAL 26 2HG2 VAL 26 -7.882 6.760 -3.559 183 H CYS 27 H CYS 27 -5.142 6.472 -2.776 184 HA CYS 27 HA CYS 27 -2.818 8.180 -3.508 185 HB2 CYS 27 1HB CYS 27 -2.470 5.452 -2.173 186 HB3 CYS 27 2HB CYS 27 -1.197 6.547 -2.715 187 HG CYS 27 HG CYS 27 -3.497 7.043 -0.384 188 H ARG 28 H ARG 28 -1.276 6.529 -4.944 189 HA ARG 28 HA ARG 28 -3.028 4.883 -6.710 190 HB2 ARG 28 1HB ARG 28 -2.534 7.372 -7.496 191 HB3 ARG 28 2HB ARG 28 -0.967 6.727 -7.960 192 HG2 ARG 28 1HG ARG 28 -3.051 4.904 -8.875 193 HG3 ARG 28 2HG ARG 28 -3.533 6.534 -9.301 194 HD2 ARG 28 1HD ARG 28 -0.778 5.420 -9.969 195 HD3 ARG 28 2HD ARG 28 -2.203 5.158 -10.988 196 HE ARG 28 HE ARG 28 -1.800 7.979 -10.387 197 HH11 ARG 28 1HH1 ARG 28 -0.757 5.461 -12.569 198 HH12 ARG 28 2HH1 ARG 28 -0.462 6.575 -13.877 199 HH21 ARG 28 1HH2 ARG 28 -1.410 9.365 -12.094 200 HH22 ARG 28 2HH2 ARG 28 -0.814 8.725 -13.596 201 H VAL 29 H VAL 29 -2.188 2.938 -7.106 202 HA VAL 29 HA VAL 29 0.346 2.062 -6.012 203 HB VAL 29 HB VAL 29 -1.479 0.688 -8.009 204 HG11 VAL 29 1HG1 VAL 29 0.740 -0.392 -8.014 205 HG12 VAL 29 2HG1 VAL 29 0.740 -0.448 -6.240 206 HG13 VAL 29 3HG1 VAL 29 -0.427 -1.413 -7.168 207 HG21 VAL 29 3HG2 VAL 29 -2.246 1.323 -5.487 208 HG22 VAL 29 1HG2 VAL 29 -2.704 -0.173 -6.296 209 HG23 VAL 29 2HG2 VAL 29 -1.362 -0.158 -5.128 210 H SER 30 H SER 30 2.337 1.828 -6.886 211 HA SER 30 HA SER 30 2.722 2.604 -9.752 212 HB2 SER 30 1HB SER 30 4.716 3.664 -9.206 213 HB3 SER 30 2HB SER 30 3.544 4.186 -7.983 214 HG SER 30 HG SER 30 5.791 3.462 -7.320 215 H ALA 31 H ALA 31 4.013 0.509 -7.165 216 HA ALA 31 HA ALA 31 4.421 -1.716 -9.024 217 HB1 ALA 31 3HB ALA 31 6.838 -1.913 -8.556 218 HB2 ALA 31 1HB ALA 31 6.504 -0.332 -9.288 219 HB3 ALA 31 2HB ALA 31 6.781 -0.450 -7.541 220 H ILE 32 H ILE 32 5.123 -3.708 -7.788 221 HA ILE 32 HA ILE 32 4.713 -3.632 -4.847 222 HB ILE 32 HB ILE 32 3.109 -5.452 -6.699 223 HG12 ILE 32 1HG1 ILE 32 2.102 -3.212 -4.889 224 HG13 ILE 32 2HG1 ILE 32 2.220 -3.100 -6.628 225 HG21 ILE 32 1HG2 ILE 32 3.314 -5.288 -3.651 226 HG22 ILE 32 2HG2 ILE 32 2.073 -6.224 -4.505 227 HG23 ILE 32 3HG2 ILE 32 3.757 -6.650 -4.689 228 HD11 ILE 32 3HD1 ILE 32 0.385 -5.088 -5.265 229 HD12 ILE 32 1HD1 ILE 32 -0.061 -3.510 -5.914 230 HD13 ILE 32 2HD1 ILE 32 0.551 -4.767 -7.005 231 H ASP 33 H ASP 33 6.110 -5.011 -3.806 232 HA ASP 33 HA ASP 33 7.149 -7.374 -5.193 233 HB2 ASP 33 1HB ASP 33 8.690 -4.953 -5.199 234 HB3 ASP 33 2HB ASP 33 9.436 -6.000 -4.006 235 H VAL 34 H VAL 34 8.606 -8.690 -3.708 236 HA VAL 34 HA VAL 34 7.572 -8.522 -0.895 237 HB VAL 34 HB VAL 34 8.004 -10.844 -0.610 238 HG11 VAL 34 1HG1 VAL 34 6.540 -11.499 -2.959 239 HG12 VAL 34 2HG1 VAL 34 5.932 -11.169 -1.334 240 HG13 VAL 34 3HG1 VAL 34 6.048 -9.867 -2.524 241 HG21 VAL 34 3HG2 VAL 34 8.645 -12.351 -2.463 242 HG22 VAL 34 1HG2 VAL 34 9.005 -10.936 -3.478 243 HG23 VAL 34 2HG2 VAL 34 9.944 -11.253 -1.999 244 H LYS 35 H LYS 35 8.947 -8.536 0.852 245 HA LYS 35 HA LYS 35 11.806 -8.974 0.544 246 HB2 LYS 35 1HB LYS 35 12.551 -6.786 1.331 247 HB3 LYS 35 2HB LYS 35 11.775 -6.660 -0.232 248 HG2 LYS 35 1HG LYS 35 9.851 -5.596 0.654 249 HG3 LYS 35 2HG LYS 35 10.232 -6.045 2.322 250 HD2 LYS 35 1HD LYS 35 12.141 -4.303 0.734 251 HD3 LYS 35 2HD LYS 35 10.719 -3.593 1.510 252 HE2 LYS 35 1HE LYS 35 11.436 -3.987 3.647 253 HE3 LYS 35 2HE LYS 35 12.375 -5.419 3.218 254 HZ1 LYS 35 3HZ LYS 35 14.071 -3.984 2.272 255 HZ2 LYS 35 1HZ LYS 35 13.800 -3.538 3.812 256 HZ3 LYS 35 2HZ LYS 35 13.202 -2.634 2.591 257 H GLU 36 H GLU 36 12.963 -8.553 2.611 258 HA GLU 36 HA GLU 36 11.333 -9.377 4.979 259 HB2 GLU 36 1HB GLU 36 13.776 -10.417 3.898 260 HB3 GLU 36 2HB GLU 36 14.219 -9.545 5.351 261 HG2 GLU 36 1HG GLU 36 11.977 -10.994 6.184 262 HG3 GLU 36 2HG GLU 36 12.739 -12.059 5.000 263 H VAL 37 H VAL 37 10.787 -7.750 6.270 264 HA VAL 37 HA VAL 37 12.890 -5.706 6.929 265 HB VAL 37 HB VAL 37 11.102 -4.761 5.494 266 HG11 VAL 37 1HG1 VAL 37 9.251 -5.081 7.884 267 HG12 VAL 37 2HG1 VAL 37 8.888 -4.351 6.309 268 HG13 VAL 37 3HG1 VAL 37 9.207 -6.096 6.434 269 HG21 VAL 37 3HG2 VAL 37 10.863 -2.723 6.698 270 HG22 VAL 37 1HG2 VAL 37 11.061 -3.527 8.267 271 HG23 VAL 37 2HG2 VAL 37 12.438 -3.397 7.148 272 H ALA 38 H ALA 38 13.206 -5.270 9.056 273 HA ALA 38 HA ALA 38 13.400 -5.828 11.255 274 HB1 ALA 38 3HB ALA 38 10.368 -5.633 11.131 275 HB2 ALA 38 1HB ALA 38 11.404 -5.337 12.544 276 HB3 ALA 38 2HB ALA 38 11.485 -4.251 11.145 277 H GLY 39 H GLY 39 13.344 -8.199 9.545 278 HA2 GLY 39 1HA GLY 39 13.622 -10.470 9.956 279 HA3 GLY 39 2HA GLY 39 12.906 -10.295 11.553 280 H GLN 40 H GLN 40 11.099 -9.138 8.726 281 HA GLN 40 HA GLN 40 9.322 -11.528 8.807 282 HB2 GLN 40 1HB GLN 40 8.521 -9.802 10.365 283 HB3 GLN 40 2HB GLN 40 8.439 -8.621 9.050 284 HG2 GLN 40 1HG GLN 40 6.661 -9.754 7.982 285 HG3 GLN 40 2HG GLN 40 6.995 -11.278 8.805 286 HE21 GLN 40 2HE2 GLN 40 4.900 -11.575 9.695 287 HE22 GLN 40 1HE2 GLN 40 4.299 -10.496 10.946 288 H LYS 41 H LYS 41 9.203 -12.346 6.861 289 HA LYS 41 HA LYS 41 9.643 -10.682 4.456 290 HB2 LYS 41 1HB LYS 41 10.794 -13.018 5.015 291 HB3 LYS 41 2HB LYS 41 9.319 -13.675 4.330 292 HG2 LYS 41 1HG LYS 41 9.686 -12.197 2.288 293 HG3 LYS 41 2HG LYS 41 11.247 -11.719 2.982 294 HD2 LYS 41 1HD LYS 41 11.979 -14.089 2.974 295 HD3 LYS 41 2HD LYS 41 10.401 -14.573 2.333 296 HE2 LYS 41 1HE LYS 41 11.324 -12.541 0.573 297 HE3 LYS 41 2HE LYS 41 12.765 -13.484 0.959 298 HZ1 LYS 41 3HZ LYS 41 11.717 -14.499 -0.914 299 HZ2 LYS 41 1HZ LYS 41 10.240 -14.509 -0.220 300 HZ3 LYS 41 2HZ LYS 41 11.415 -15.500 0.338 301 H LEU 42 H LEU 42 7.971 -9.879 3.362 302 HA LEU 42 HA LEU 42 5.696 -11.542 2.674 303 HB2 LEU 42 1HB LEU 42 3.982 -10.582 3.905 304 HB3 LEU 42 2HB LEU 42 5.248 -10.711 5.075 305 HG LEU 42 HG LEU 42 5.666 -8.159 3.990 306 HD11 LEU 42 1HD1 LEU 42 2.725 -8.318 4.602 307 HD12 LEU 42 2HD1 LEU 42 3.283 -8.668 2.967 308 HD13 LEU 42 3HD1 LEU 42 3.688 -7.113 3.663 309 HD21 LEU 42 3HD2 LEU 42 5.894 -8.589 6.317 310 HD22 LEU 42 1HD2 LEU 42 4.172 -9.020 6.494 311 HD23 LEU 42 2HD2 LEU 42 4.659 -7.346 6.142 312 H THR 43 H THR 43 4.035 -10.223 1.353 313 HA THR 43 HA THR 43 5.369 -8.687 -0.702 314 HB THR 43 HB THR 43 2.360 -8.921 -0.306 315 HG1 THR 43 HG1 THR 43 2.448 -10.865 -1.331 316 HG21 THR 43 3HG2 THR 43 4.208 -8.303 -2.607 317 HG22 THR 43 1HG2 THR 43 2.607 -7.645 -2.211 318 HG23 THR 43 2HG2 THR 43 2.751 -9.246 -2.949 319 H PHE 44 H PHE 44 5.878 -6.537 -0.562 320 HA PHE 44 HA PHE 44 4.149 -4.734 1.097 321 HB2 PHE 44 1HB PHE 44 7.098 -4.532 0.430 322 HB3 PHE 44 2HB PHE 44 6.125 -3.259 1.163 323 HD1 PHE 44 HD1 PHE 44 5.164 -3.489 3.443 324 HD2 PHE 44 HD2 PHE 44 7.872 -6.407 1.791 325 HE1 PHE 44 HE1 PHE 44 5.532 -4.466 5.731 326 HE2 PHE 44 HE2 PHE 44 8.270 -7.317 4.067 327 HZ PHE 44 HZ PHE 44 7.023 -6.406 6.000 328 H VAL 45 H VAL 45 2.828 -3.544 -0.068 329 HA VAL 45 HA VAL 45 3.210 -3.189 -2.966 330 HB VAL 45 HB VAL 45 1.145 -1.878 -2.905 331 HG11 VAL 45 1HG1 VAL 45 -0.337 -3.772 -2.357 332 HG12 VAL 45 2HG1 VAL 45 1.097 -4.327 -3.215 333 HG13 VAL 45 3HG1 VAL 45 1.009 -4.560 -1.481 334 HG21 VAL 45 3HG2 VAL 45 1.427 -1.132 -0.398 335 HG22 VAL 45 1HG2 VAL 45 -0.163 -1.483 -1.052 336 HG23 VAL 45 2HG2 VAL 45 0.660 -2.691 -0.035 337 H THR 46 H THR 46 3.572 -1.145 -4.054 338 HA THR 46 HA THR 46 4.447 1.090 -2.281 339 HB THR 46 HB THR 46 5.756 0.546 -4.954 340 HG1 THR 46 HG1 THR 46 6.216 -1.210 -3.631 341 HG21 THR 46 3HG2 THR 46 7.535 1.943 -3.920 342 HG22 THR 46 1HG2 THR 46 6.554 2.110 -2.451 343 HG23 THR 46 2HG2 THR 46 5.995 2.819 -3.985 344 H MET 47 H MET 47 3.269 2.789 -2.498 345 HA MET 47 HA MET 47 1.965 3.458 -5.101 346 HB2 MET 47 1HB MET 47 0.946 3.955 -2.283 347 HB3 MET 47 2HB MET 47 0.106 4.365 -3.761 348 HG2 MET 47 1HG MET 47 -0.875 2.354 -3.774 349 HG3 MET 47 2HG MET 47 0.673 1.572 -3.922 350 HE1 MET 47 3HE MET 47 -1.040 3.632 -1.064 351 HE2 MET 47 1HE MET 47 -2.293 2.377 -1.211 352 HE3 MET 47 2HE MET 47 -1.254 2.424 0.219 353 H ARG 48 H ARG 48 1.576 5.680 -5.436 354 HA ARG 48 HA ARG 48 3.328 7.630 -4.002 355 HB2 ARG 48 1HB ARG 48 4.190 8.497 -6.100 356 HB3 ARG 48 2HB ARG 48 4.635 6.818 -5.832 357 HG2 ARG 48 1HG ARG 48 2.619 6.229 -7.393 358 HG3 ARG 48 2HG ARG 48 2.666 7.928 -7.865 359 HD2 ARG 48 1HD ARG 48 4.986 5.957 -8.038 360 HD3 ARG 48 2HD ARG 48 3.946 6.438 -9.389 361 HE ARG 48 HE ARG 48 5.000 8.822 -8.325 362 HH11 ARG 48 1HH1 ARG 48 6.304 6.012 -9.952 363 HH12 ARG 48 2HH1 ARG 48 7.709 6.874 -10.512 364 HH21 ARG 48 1HH2 ARG 48 6.818 9.861 -9.050 365 HH22 ARG 48 2HH2 ARG 48 7.977 9.000 -10.018 366 H ARG 49 H ARG 49 2.108 9.153 -3.257 367 HA ARG 49 HA ARG 49 -0.497 9.852 -4.575 368 HB2 ARG 49 1HB ARG 49 -0.982 11.143 -2.564 369 HB3 ARG 49 2HB ARG 49 -0.657 9.456 -2.223 370 HG2 ARG 49 1HG ARG 49 0.920 9.925 -0.741 371 HG3 ARG 49 2HG ARG 49 1.819 10.849 -1.915 372 HD2 ARG 49 1HD ARG 49 1.470 12.539 -0.480 373 HD3 ARG 49 2HD ARG 49 -0.032 12.721 -1.377 374 HE ARG 49 HE ARG 49 -0.112 10.913 0.967 375 HH11 ARG 49 1HH1 ARG 49 -0.753 14.194 -0.065 376 HH12 ARG 49 2HH1 ARG 49 -1.639 14.565 1.385 377 HH21 ARG 49 1HH2 ARG 49 -1.202 11.476 2.814 378 HH22 ARG 49 2HH2 ARG 49 -1.868 13.066 2.964 379 H GLU 50 H GLU 50 -0.221 11.133 -6.243 380 HA GLU 50 HA GLU 50 1.840 13.083 -6.571 381 HB2 GLU 50 1HB GLU 50 0.579 13.874 -8.479 382 HB3 GLU 50 2HB GLU 50 0.647 12.109 -8.448 383 HG2 GLU 50 1HG GLU 50 -1.661 12.017 -7.562 384 HG3 GLU 50 2HG GLU 50 -1.740 13.780 -7.538 385 H GLU 51 H GLU 51 -1.066 13.291 -4.759 386 HA GLU 51 HA GLU 51 -1.664 16.034 -4.775 387 HB2 GLU 51 1HB GLU 51 -3.054 14.186 -3.898 388 HB3 GLU 51 2HB GLU 51 -1.989 14.029 -2.498 389 HG2 GLU 51 1HG GLU 51 -2.648 16.141 -1.625 390 HG3 GLU 51 2HG GLU 51 -3.302 16.682 -3.174 391 H ASP 52 H ASP 52 0.780 14.356 -2.861 392 HA ASP 52 HA ASP 52 1.938 16.996 -2.073 393 HB2 ASP 52 1HB ASP 52 0.673 15.931 -0.158 394 HB3 ASP 52 2HB ASP 52 1.876 14.642 -0.172 395 H GLY 53 H GLY 53 2.408 14.400 -3.921 396 HA2 GLY 53 1HA GLY 53 4.187 13.374 -4.928 397 HA3 GLY 53 2HA GLY 53 5.247 14.612 -4.252 398 H ALA 54 H ALA 54 3.258 12.436 -2.221 399 HA ALA 54 HA ALA 54 5.803 11.554 -0.926 400 HB1 ALA 54 3HB ALA 54 3.045 11.085 0.220 401 HB2 ALA 54 1HB ALA 54 4.599 11.175 1.042 402 HB3 ALA 54 2HB ALA 54 3.870 12.656 0.404 403 H VAL 55 H VAL 55 5.595 9.266 0.047 404 HA VAL 55 HA VAL 55 4.432 7.366 -1.946 405 HB VAL 55 HB VAL 55 6.237 5.795 -1.483 406 HG11 VAL 55 1HG1 VAL 55 7.916 6.864 -2.876 407 HG12 VAL 55 2HG1 VAL 55 6.301 7.326 -3.443 408 HG13 VAL 55 3HG1 VAL 55 7.273 8.475 -2.497 409 HG21 VAL 55 3HG2 VAL 55 8.352 6.536 -0.463 410 HG22 VAL 55 1HG2 VAL 55 7.621 8.088 -0.015 411 HG23 VAL 55 2HG2 VAL 55 7.039 6.576 0.719 412 H VAL 56 H VAL 56 3.454 5.595 -1.230 413 HA VAL 56 HA VAL 56 3.034 5.241 1.714 414 HB VAL 56 HB VAL 56 0.827 5.017 -0.367 415 HG11 VAL 56 1HG1 VAL 56 0.589 3.420 1.522 416 HG12 VAL 56 2HG1 VAL 56 0.749 4.769 2.670 417 HG13 VAL 56 3HG1 VAL 56 -0.640 4.686 1.566 418 HG21 VAL 56 3HG2 VAL 56 1.559 7.195 1.602 419 HG22 VAL 56 1HG2 VAL 56 1.070 7.324 -0.105 420 HG23 VAL 56 2HG2 VAL 56 -0.125 6.927 1.136 421 H MET 57 H MET 57 3.979 3.405 2.208 422 HA MET 57 HA MET 57 3.608 1.057 0.429 423 HB2 MET 57 1HB MET 57 5.878 1.713 0.075 424 HB3 MET 57 2HB MET 57 6.188 1.879 1.807 425 HG2 MET 57 1HG MET 57 5.182 -0.802 1.069 426 HG3 MET 57 2HG MET 57 6.644 -0.388 0.208 427 HE1 MET 57 3HE MET 57 8.676 1.051 2.473 428 HE2 MET 57 1HE MET 57 9.420 -0.557 2.630 429 HE3 MET 57 2HE MET 57 8.791 -0.024 1.058 430 H VAL 58 H VAL 58 2.547 -0.465 1.343 431 HA VAL 58 HA VAL 58 2.717 -0.896 4.267 432 HB VAL 58 HB VAL 58 0.277 -1.293 4.429 433 HG11 VAL 58 1HG1 VAL 58 0.026 1.417 3.474 434 HG12 VAL 58 2HG1 VAL 58 0.023 0.761 5.124 435 HG13 VAL 58 3HG1 VAL 58 1.540 1.228 4.366 436 HG21 VAL 58 3HG2 VAL 58 0.141 -0.283 1.586 437 HG22 VAL 58 1HG2 VAL 58 -0.304 -1.896 2.223 438 HG23 VAL 58 2HG2 VAL 58 -1.218 -0.446 2.710 439 HA PRO 59 HA PRO 59 3.020 -5.138 3.176 440 HB2 PRO 59 1HB PRO 59 2.102 -6.349 5.441 441 HB3 PRO 59 2HB PRO 59 3.638 -5.476 5.375 442 HG2 PRO 59 1HG PRO 59 0.967 -4.443 6.344 443 HG3 PRO 59 2HG PRO 59 2.556 -4.339 7.179 444 HD2 PRO 59 1HD PRO 59 1.647 -2.279 5.751 445 HD3 PRO 59 2HD PRO 59 3.360 -2.756 5.611 446 H GLU 60 H GLU 60 1.735 -6.155 1.673 447 HA GLU 60 HA GLU 60 -1.161 -6.118 1.665 448 HB2 GLU 60 1HB GLU 60 0.977 -7.104 -0.063 449 HB3 GLU 60 2HB GLU 60 -0.293 -8.312 0.061 450 HG2 GLU 60 1HG GLU 60 -0.794 -5.398 -0.572 451 HG3 GLU 60 2HG GLU 60 -0.492 -6.604 -1.815 452 H GLY 61 H GLY 61 1.121 -8.506 2.913 453 HA2 GLY 61 1HA GLY 61 -1.081 -10.372 3.683 454 HA3 GLY 61 2HA GLY 61 0.655 -10.667 3.845 455 H LYS 62 H LYS 62 -0.066 -7.628 5.040 456 HA LYS 62 HA LYS 62 -0.652 -8.542 7.830 457 HB2 LYS 62 1HB LYS 62 1.908 -8.083 7.001 458 HB3 LYS 62 2HB LYS 62 1.408 -6.455 7.478 459 HG2 LYS 62 1HG LYS 62 0.950 -7.198 9.734 460 HG3 LYS 62 2HG LYS 62 1.453 -8.852 9.307 461 HD2 LYS 62 1HD LYS 62 3.705 -8.239 8.993 462 HD3 LYS 62 2HD LYS 62 3.336 -6.555 8.623 463 HE2 LYS 62 1HE LYS 62 2.554 -6.296 11.045 464 HE3 LYS 62 2HE LYS 62 3.258 -7.888 11.364 465 HZ1 LYS 62 3HZ LYS 62 4.804 -6.030 11.830 466 HZ2 LYS 62 1HZ LYS 62 4.796 -5.595 10.253 467 HZ3 LYS 62 2HZ LYS 62 5.394 -7.062 10.711 468 H VAL 63 H VAL 63 -1.598 -6.483 5.389 469 HA VAL 63 HA VAL 63 -2.269 -4.051 6.486 470 HB VAL 63 HB VAL 63 -4.400 -4.187 5.221 471 HG11 VAL 63 1HG1 VAL 63 -3.534 -3.822 3.145 472 HG12 VAL 63 2HG1 VAL 63 -2.236 -3.318 4.254 473 HG13 VAL 63 3HG1 VAL 63 -2.143 -4.862 3.367 474 HG21 VAL 63 3HG2 VAL 63 -5.182 -5.923 4.040 475 HG22 VAL 63 1HG2 VAL 63 -3.582 -6.573 3.664 476 HG23 VAL 63 2HG2 VAL 63 -4.306 -6.892 5.236 477 H LEU 64 H LEU 64 -3.711 -7.099 7.315 478 HA LEU 64 HA LEU 64 -6.075 -6.298 8.635 479 HB2 LEU 64 1HB LEU 64 -4.313 -8.608 9.503 480 HB3 LEU 64 2HB LEU 64 -6.063 -8.470 9.603 481 HG LEU 64 HG LEU 64 -4.379 -8.959 7.086 482 HD11 LEU 64 1HD1 LEU 64 -4.766 -10.876 8.632 483 HD12 LEU 64 2HD1 LEU 64 -5.544 -11.091 7.055 484 HD13 LEU 64 3HD1 LEU 64 -6.519 -10.633 8.469 485 HD21 LEU 64 3HD2 LEU 64 -6.530 -9.185 5.879 486 HD22 LEU 64 1HD2 LEU 64 -6.307 -7.529 6.450 487 HD23 LEU 64 2HD2 LEU 64 -7.412 -8.616 7.314 488 H ALA 65 H ALA 65 -2.731 -6.141 9.710 489 HA ALA 65 HA ALA 65 -3.249 -5.642 12.525 490 HB1 ALA 65 3HB ALA 65 -0.741 -5.113 10.863 491 HB2 ALA 65 1HB ALA 65 -0.854 -5.274 12.625 492 HB3 ALA 65 2HB ALA 65 -1.158 -6.681 11.588 493 H ILE 66 H ILE 66 -2.206 -3.564 9.781 494 HA ILE 66 HA ILE 66 -2.377 -1.069 11.249 495 HB ILE 66 HB ILE 66 -2.467 -1.499 8.248 496 HG12 ILE 66 1HG1 ILE 66 0.155 -0.629 9.072 497 HG13 ILE 66 2HG1 ILE 66 -0.248 -1.986 10.100 498 HG21 ILE 66 1HG2 ILE 66 -1.526 0.757 8.070 499 HG22 ILE 66 2HG2 ILE 66 -3.016 0.844 9.008 500 HG23 ILE 66 3HG2 ILE 66 -1.467 0.914 9.840 501 HD11 ILE 66 3HD1 ILE 66 -0.390 -1.959 7.050 502 HD12 ILE 66 1HD1 ILE 66 0.910 -2.651 8.046 503 HD13 ILE 66 2HD1 ILE 66 -0.715 -3.366 8.096 504 H GLY 67 H GLY 67 -4.698 -2.933 9.373 505 HA2 GLY 67 1HA GLY 67 -7.034 -2.852 9.484 506 HA3 GLY 67 2HA GLY 67 -6.976 -1.285 10.283 507 H VAL 68 H VAL 68 -5.024 -1.473 7.462 508 HA VAL 68 HA VAL 68 -6.861 0.393 6.043 509 HB VAL 68 HB VAL 68 -4.930 1.149 4.788 510 HG11 VAL 68 1HG1 VAL 68 -5.111 2.478 6.645 511 HG12 VAL 68 2HG1 VAL 68 -4.819 1.187 7.801 512 HG13 VAL 68 3HG1 VAL 68 -3.485 1.899 6.876 513 HG21 VAL 68 3HG2 VAL 68 -3.498 -0.739 4.527 514 HG22 VAL 68 1HG2 VAL 68 -2.600 0.450 5.448 515 HG23 VAL 68 2HG2 VAL 68 -3.317 -0.950 6.276 516 H ARG 69 H ARG 69 -7.968 -0.206 4.272 517 HA ARG 69 HA ARG 69 -7.140 -2.746 2.862 518 HB2 ARG 69 1HB ARG 69 -9.894 -1.458 2.718 519 HB3 ARG 69 2HB ARG 69 -9.413 -3.075 2.258 520 HG2 ARG 69 1HG ARG 69 -9.557 -1.975 5.106 521 HG3 ARG 69 2HG ARG 69 -10.714 -3.049 4.337 522 HD2 ARG 69 1HD ARG 69 -8.982 -4.832 4.201 523 HD3 ARG 69 2HD ARG 69 -7.790 -3.732 4.893 524 HE ARG 69 HE ARG 69 -8.633 -4.081 6.999 525 HH11 ARG 69 1HH1 ARG 69 -11.079 -5.261 4.800 526 HH12 ARG 69 2HH1 ARG 69 -12.078 -5.874 6.090 527 HH21 ARG 69 1HH2 ARG 69 -9.931 -4.895 8.598 528 HH22 ARG 69 2HH2 ARG 69 -11.423 -5.679 8.181 529 H LYS 70 H LYS 70 -5.957 -2.247 1.143 530 HA LYS 70 HA LYS 70 -6.468 0.348 -0.274 531 HB2 LYS 70 1HB LYS 70 -4.133 -1.259 -1.149 532 HB3 LYS 70 2HB LYS 70 -4.355 0.438 -0.945 533 HG2 LYS 70 1HG LYS 70 -2.832 0.093 0.671 534 HG3 LYS 70 2HG LYS 70 -4.326 0.043 1.597 535 HD2 LYS 70 1HD LYS 70 -2.890 -1.763 2.311 536 HD3 LYS 70 2HD LYS 70 -4.228 -2.511 1.474 537 HE2 LYS 70 1HE LYS 70 -1.880 -1.760 -0.191 538 HE3 LYS 70 2HE LYS 70 -1.587 -3.060 0.974 539 HZ1 LYS 70 3HZ LYS 70 -2.380 -3.791 -1.282 540 HZ2 LYS 70 1HZ LYS 70 -3.858 -3.175 -0.946 541 HZ3 LYS 70 2HZ LYS 70 -3.236 -4.406 -0.053 542 H VAL 71 H VAL 71 -8.055 0.083 -1.633 543 HA VAL 71 HA VAL 71 -7.933 -1.788 -3.893 544 HB VAL 71 HB VAL 71 -10.607 -1.831 -2.583 545 HG11 VAL 71 1HG1 VAL 71 -10.793 -3.905 -3.614 546 HG12 VAL 71 2HG1 VAL 71 -9.611 -3.157 -4.696 547 HG13 VAL 71 3HG1 VAL 71 -9.069 -4.283 -3.455 548 HG21 VAL 71 3HG2 VAL 71 -10.204 -3.682 -1.067 549 HG22 VAL 71 1HG2 VAL 71 -8.461 -3.548 -1.289 550 HG23 VAL 71 2HG2 VAL 71 -9.372 -2.220 -0.519 551 H ALA 72 H ALA 72 -9.871 -1.411 -5.393 552 HA ALA 72 HA ALA 72 -10.098 1.239 -6.175 553 HB1 ALA 72 3HB ALA 72 -12.160 -0.897 -6.797 554 HB2 ALA 72 1HB ALA 72 -11.583 0.419 -7.841 555 HB3 ALA 72 2HB ALA 72 -10.525 -0.951 -7.477 556 H SER 73 H SER 73 -11.834 -0.178 -3.636 557 HA SER 73 HA SER 73 -13.777 2.051 -3.361 558 HB2 SER 73 1HB SER 73 -15.108 0.601 -4.657 559 HB3 SER 73 2HB SER 73 -14.480 -0.847 -3.863 560 HG SER 73 HG SER 73 -16.278 1.086 -2.780 561 H ALA 74 H ALA 74 -12.956 -1.164 -1.908 562 HA ALA 74 HA ALA 74 -13.530 -0.515 0.772 563 HB1 ALA 74 3HB ALA 74 -12.344 -2.718 -0.649 564 HB2 ALA 74 1HB ALA 74 -11.383 -2.347 0.799 565 HB3 ALA 74 2HB ALA 74 -13.113 -2.670 0.944 566 H GLU 75 H GLU 75 -12.423 0.136 2.503 567 HA GLU 75 HA GLU 75 -9.916 1.698 2.190 568 HB2 GLU 75 1HB GLU 75 -11.028 3.418 3.691 569 HB3 GLU 75 2HB GLU 75 -11.469 3.383 2.012 570 HG2 GLU 75 1HG GLU 75 -13.398 3.869 3.286 571 HG3 GLU 75 2HG GLU 75 -13.611 2.330 2.491 Start of MODEL 4 1 H1 ALA 1 1H ALA 1 -15.664 20.360 -6.237 2 H2 ALA 1 2H ALA 1 -14.565 21.458 -6.758 3 H3 ALA 1 3H ALA 1 -15.902 21.145 -7.652 4 HA ALA 1 HA ALA 1 -15.202 19.018 -8.259 5 HB1 ALA 1 3HB ALA 1 -12.847 20.948 -8.463 6 HB2 ALA 1 1HB ALA 1 -13.043 19.448 -9.395 7 HB3 ALA 1 2HB ALA 1 -14.188 20.782 -9.617 8 H GLY 2 H GLY 2 -15.265 17.529 -6.632 9 HA2 GLY 2 1HA GLY 2 -12.687 16.820 -5.297 10 HA3 GLY 2 2HA GLY 2 -14.151 17.035 -4.333 11 H HIS 3 H HIS 3 -12.779 15.217 -7.056 12 HA HIS 3 HA HIS 3 -14.792 13.134 -7.152 13 HB2 HIS 3 1HB HIS 3 -11.868 13.057 -8.028 14 HB3 HIS 3 2HB HIS 3 -13.116 11.913 -8.510 15 HD1 HIS 3 HD1 HIS 3 -15.418 14.049 -9.296 16 HD2 HIS 3 HD2 HIS 3 -11.324 14.141 -10.356 17 HE1 HIS 3 HE1 HIS 3 -15.246 15.501 -11.414 18 HE2 HIS 3 HE2 HIS 3 -12.754 15.546 -12.062 19 H MET 4 H MET 4 -14.637 10.987 -6.488 20 HA MET 4 HA MET 4 -13.119 10.543 -3.953 21 HB2 MET 4 1HB MET 4 -15.004 8.851 -3.508 22 HB3 MET 4 2HB MET 4 -15.342 10.556 -3.308 23 HG2 MET 4 1HG MET 4 -16.011 9.256 -5.950 24 HG3 MET 4 2HG MET 4 -16.981 8.881 -4.529 25 HE1 MET 4 3HE MET 4 -18.975 9.470 -5.609 26 HE2 MET 4 1HE MET 4 -19.639 11.111 -5.730 27 HE3 MET 4 2HE MET 4 -18.643 10.458 -7.052 28 HA PRO 5 HA PRO 5 -11.155 7.022 -5.742 29 HB2 PRO 5 1HB PRO 5 -10.814 5.316 -3.626 30 HB3 PRO 5 2HB PRO 5 -9.934 6.850 -3.800 31 HG2 PRO 5 1HG PRO 5 -12.411 6.311 -2.148 32 HG3 PRO 5 2HG PRO 5 -10.932 7.198 -1.673 33 HD2 PRO 5 1HD PRO 5 -13.199 8.441 -2.506 34 HD3 PRO 5 2HD PRO 5 -11.598 9.121 -2.843 35 H GLU 6 H GLU 6 -12.122 5.682 -7.133 36 HA GLU 6 HA GLU 6 -14.228 3.803 -6.228 37 HB2 GLU 6 1HB GLU 6 -14.818 6.154 -7.659 38 HB3 GLU 6 2HB GLU 6 -14.753 4.903 -8.906 39 HG2 GLU 6 1HG GLU 6 -16.348 3.526 -7.597 40 HG3 GLU 6 2HG GLU 6 -16.355 4.744 -6.317 41 H GLY 7 H GLY 7 -14.643 2.068 -7.856 42 HA2 GLY 7 1HA GLY 7 -12.150 0.943 -8.846 43 HA3 GLY 7 2HA GLY 7 -13.761 0.239 -8.992 44 H SER 8 H SER 8 -12.097 -0.076 -11.028 45 HA SER 8 HA SER 8 -13.261 1.597 -13.223 46 HB2 SER 8 1HB SER 8 -10.337 0.784 -13.070 47 HB3 SER 8 2HB SER 8 -11.136 1.619 -14.413 48 HG SER 8 HG SER 8 -10.726 3.396 -13.375 49 H ALA 9 H ALA 9 -10.950 -1.128 -13.300 50 HA ALA 9 HA ALA 9 -12.940 -3.071 -14.196 51 HB1 ALA 9 3HB ALA 9 -11.925 -3.360 -16.452 52 HB2 ALA 9 1HB ALA 9 -12.664 -1.767 -16.254 53 HB3 ALA 9 2HB ALA 9 -10.896 -1.937 -16.161 54 H SER 10 H SER 10 -11.436 -3.277 -11.982 55 HA SER 10 HA SER 10 -9.433 -5.420 -12.578 56 HB2 SER 10 1HB SER 10 -9.131 -3.046 -10.712 57 HB3 SER 10 2HB SER 10 -8.181 -4.523 -10.502 58 HG SER 10 HG SER 10 -7.294 -4.249 -12.539 59 H LEU 11 H LEU 11 -8.995 -6.825 -10.780 60 HA LEU 11 HA LEU 11 -11.413 -7.365 -9.074 61 HB2 LEU 11 1HB LEU 11 -9.390 -9.374 -10.141 62 HB3 LEU 11 2HB LEU 11 -10.846 -9.705 -9.225 63 HG LEU 11 HG LEU 11 -11.835 -8.263 -11.421 64 HD11 LEU 11 1HD1 LEU 11 -9.543 -8.512 -12.489 65 HD12 LEU 11 2HD1 LEU 11 -10.872 -9.239 -13.408 66 HD13 LEU 11 3HD1 LEU 11 -9.784 -10.270 -12.451 67 HD21 LEU 11 3HD2 LEU 11 -12.886 -10.231 -10.445 68 HD22 LEU 11 1HD2 LEU 11 -11.581 -11.274 -11.056 69 HD23 LEU 11 2HD2 LEU 11 -12.681 -10.455 -12.191 70 H GLN 12 H GLN 12 -7.888 -7.272 -9.113 71 HA GLN 12 HA GLN 12 -7.787 -7.387 -6.138 72 HB2 GLN 12 1HB GLN 12 -5.815 -8.717 -8.050 73 HB3 GLN 12 2HB GLN 12 -5.714 -8.673 -6.289 74 HG2 GLN 12 1HG GLN 12 -7.913 -9.954 -6.209 75 HG3 GLN 12 2HG GLN 12 -7.793 -10.136 -7.965 76 HE21 GLN 12 2HE2 GLN 12 -5.812 -10.721 -4.960 77 HE22 GLN 12 1HE2 GLN 12 -5.096 -12.191 -5.607 78 H LEU 13 H LEU 13 -5.667 -6.538 -5.342 79 HA LEU 13 HA LEU 13 -5.175 -3.904 -6.377 80 HB2 LEU 13 1HB LEU 13 -5.027 -4.868 -3.947 81 HB3 LEU 13 2HB LEU 13 -3.431 -5.432 -4.411 82 HG LEU 13 HG LEU 13 -3.290 -3.349 -3.176 83 HD11 LEU 13 1HD1 LEU 13 -2.695 -2.466 -5.992 84 HD12 LEU 13 2HD1 LEU 13 -1.861 -3.857 -5.280 85 HD13 LEU 13 3HD1 LEU 13 -1.749 -2.278 -4.501 86 HD21 LEU 13 3HD2 LEU 13 -5.592 -2.563 -4.767 87 HD22 LEU 13 1HD2 LEU 13 -4.318 -1.358 -4.912 88 HD23 LEU 13 2HD2 LEU 13 -4.906 -1.857 -3.319 89 H ALA 14 H ALA 14 -3.878 -3.278 -7.908 90 HA ALA 14 HA ALA 14 -1.373 -4.638 -8.634 91 HB1 ALA 14 3HB ALA 14 -3.083 -5.781 -10.021 92 HB2 ALA 14 1HB ALA 14 -3.634 -4.210 -10.646 93 HB3 ALA 14 2HB ALA 14 -2.004 -4.806 -11.030 94 H VAL 15 H VAL 15 -0.331 -3.317 -10.571 95 HA VAL 15 HA VAL 15 0.133 -0.646 -9.680 96 HB VAL 15 HB VAL 15 0.740 -1.804 -12.425 97 HG11 VAL 15 1HG1 VAL 15 1.756 0.656 -10.951 98 HG12 VAL 15 2HG1 VAL 15 2.541 -0.035 -12.390 99 HG13 VAL 15 3HG1 VAL 15 0.906 0.606 -12.509 100 HG21 VAL 15 3HG2 VAL 15 2.063 -2.068 -9.733 101 HG22 VAL 15 1HG2 VAL 15 1.990 -3.203 -11.099 102 HG23 VAL 15 2HG2 VAL 15 3.115 -1.843 -11.140 103 H GLY 16 H GLY 16 -0.774 1.268 -10.061 104 HA2 GLY 16 1HA GLY 16 -2.029 2.916 -11.044 105 HA3 GLY 16 2HA GLY 16 -2.550 1.811 -12.318 106 H ASP 17 H ASP 17 -3.212 0.136 -9.533 107 HA ASP 17 HA ASP 17 -6.040 0.593 -9.688 108 HB2 ASP 17 1HB ASP 17 -4.835 -1.551 -9.108 109 HB3 ASP 17 2HB ASP 17 -4.499 -0.865 -7.511 110 H ARG 18 H ARG 18 -7.398 1.070 -7.780 111 HA ARG 18 HA ARG 18 -6.609 3.713 -6.671 112 HB2 ARG 18 1HB ARG 18 -9.184 2.294 -7.435 113 HB3 ARG 18 2HB ARG 18 -9.284 3.507 -6.175 114 HG2 ARG 18 1HG ARG 18 -7.772 4.293 -8.666 115 HG3 ARG 18 2HG ARG 18 -9.518 4.099 -8.803 116 HD2 ARG 18 1HD ARG 18 -9.793 5.581 -6.778 117 HD3 ARG 18 2HD ARG 18 -8.046 5.896 -6.836 118 HE ARG 18 HE ARG 18 -9.339 6.398 -9.387 119 HH11 ARG 18 1HH1 ARG 18 -8.796 7.920 -6.303 120 HH12 ARG 18 2HH1 ARG 18 -9.135 9.518 -6.915 121 HH21 ARG 18 1HH2 ARG 18 -9.706 8.442 -10.136 122 HH22 ARG 18 2HH2 ARG 18 -9.610 9.797 -9.052 123 H VAL 19 H VAL 19 -6.159 4.009 -4.625 124 HA VAL 19 HA VAL 19 -7.244 2.147 -2.567 125 HB VAL 19 HB VAL 19 -5.084 1.846 -1.589 126 HG11 VAL 19 1HG1 VAL 19 -4.892 1.191 -4.558 127 HG12 VAL 19 2HG1 VAL 19 -4.073 0.372 -3.242 128 HG13 VAL 19 3HG1 VAL 19 -5.841 0.272 -3.367 129 HG21 VAL 19 3HG2 VAL 19 -3.845 3.775 -2.078 130 HG22 VAL 19 1HG2 VAL 19 -2.988 2.427 -2.833 131 HG23 VAL 19 2HG2 VAL 19 -3.944 3.515 -3.846 132 H VAL 20 H VAL 20 -7.662 3.042 -0.617 133 HA VAL 20 HA VAL 20 -6.709 5.790 -0.046 134 HB VAL 20 HB VAL 20 -8.858 6.030 -1.149 135 HG11 VAL 20 1HG1 VAL 20 -9.701 3.722 0.114 136 HG12 VAL 20 2HG1 VAL 20 -10.551 4.967 1.022 137 HG13 VAL 20 3HG1 VAL 20 -10.732 4.881 -0.737 138 HG21 VAL 20 3HG2 VAL 20 -10.026 7.418 0.472 139 HG22 VAL 20 1HG2 VAL 20 -9.118 6.696 1.801 140 HG23 VAL 20 2HG2 VAL 20 -8.283 7.665 0.583 141 H TYR 21 H TYR 21 -6.462 6.278 2.086 142 HA TYR 21 HA TYR 21 -6.187 3.988 3.927 143 HB2 TYR 21 1HB TYR 21 -5.343 6.823 3.777 144 HB3 TYR 21 2HB TYR 21 -5.880 6.327 5.371 145 HD1 TYR 21 HD2 TYR 21 -3.946 4.468 2.733 146 HD2 TYR 21 HD1 TYR 21 -3.964 6.120 6.709 147 HE1 TYR 21 HE2 TYR 21 -1.841 3.141 3.308 148 HE2 TYR 21 HE1 TYR 21 -1.854 4.953 7.219 149 HH TYR 21 HH TYR 21 -0.335 3.457 6.545 150 HA PRO 22 HA PRO 22 -10.114 4.170 5.872 151 HB2 PRO 22 1HB PRO 22 -9.623 3.688 8.531 152 HB3 PRO 22 2HB PRO 22 -9.413 2.461 7.247 153 HG2 PRO 22 1HG PRO 22 -7.288 4.213 8.510 154 HG3 PRO 22 2HG PRO 22 -7.234 2.447 8.204 155 HD2 PRO 22 1HD PRO 22 -6.094 4.253 6.508 156 HD3 PRO 22 2HD PRO 22 -6.883 2.776 5.885 157 H ASN 23 H ASN 23 -7.666 6.383 7.116 158 HA ASN 23 HA ASN 23 -9.619 8.547 7.291 159 HB2 ASN 23 1HB ASN 23 -9.701 7.169 9.510 160 HB3 ASN 23 2HB ASN 23 -8.124 7.857 9.858 161 HD21 ASN 23 2HD2 ASN 23 -8.237 9.820 10.985 162 HD22 ASN 23 1HD2 ASN 23 -9.679 10.833 11.013 163 H GLN 24 H GLN 24 -7.570 8.535 5.514 164 HA GLN 24 HA GLN 24 -5.684 10.605 6.554 165 HB2 GLN 24 1HB GLN 24 -4.920 7.975 6.400 166 HB3 GLN 24 2HB GLN 24 -4.348 8.576 4.847 167 HG2 GLN 24 1HG GLN 24 -2.584 8.659 6.461 168 HG3 GLN 24 2HG GLN 24 -3.042 10.298 6.043 169 HE21 GLN 24 2HE2 GLN 24 -3.680 7.722 8.548 170 HE22 GLN 24 1HE2 GLN 24 -3.928 8.893 9.833 171 H GLY 25 H GLY 25 -6.151 8.784 3.469 172 HA2 GLY 25 1HA GLY 25 -7.309 10.760 1.908 173 HA3 GLY 25 2HA GLY 25 -5.572 11.088 1.827 174 H VAL 26 H VAL 26 -6.687 10.586 -0.473 175 HA VAL 26 HA VAL 26 -6.689 7.726 -1.208 176 HB VAL 26 HB VAL 26 -6.971 10.138 -3.037 177 HG11 VAL 26 1HG1 VAL 26 -8.212 8.486 -4.451 178 HG12 VAL 26 2HG1 VAL 26 -6.505 8.108 -4.282 179 HG13 VAL 26 3HG1 VAL 26 -7.701 7.195 -3.336 180 HG21 VAL 26 3HG2 VAL 26 -8.899 9.126 -1.063 181 HG22 VAL 26 1HG2 VAL 26 -8.955 10.563 -2.094 182 HG23 VAL 26 2HG2 VAL 26 -9.510 9.006 -2.704 183 H CYS 27 H CYS 27 -5.231 6.706 -2.514 184 HA CYS 27 HA CYS 27 -2.833 8.152 -3.470 185 HB2 CYS 27 1HB CYS 27 -2.663 5.418 -2.160 186 HB3 CYS 27 2HB CYS 27 -1.346 6.478 -2.606 187 HG CYS 27 HG CYS 27 -3.705 6.901 -0.282 188 H ARG 28 H ARG 28 -1.560 6.689 -4.987 189 HA ARG 28 HA ARG 28 -3.318 4.979 -6.682 190 HB2 ARG 28 1HB ARG 28 -3.110 7.362 -7.464 191 HB3 ARG 28 2HB ARG 28 -1.374 7.145 -7.614 192 HG2 ARG 28 1HG ARG 28 -2.937 5.046 -9.034 193 HG3 ARG 28 2HG ARG 28 -3.335 6.685 -9.559 194 HD2 ARG 28 1HD ARG 28 -0.918 7.147 -9.934 195 HD3 ARG 28 2HD ARG 28 -0.551 5.459 -9.514 196 HE ARG 28 HE ARG 28 -2.549 5.487 -11.553 197 HH11 ARG 28 1HH1 ARG 28 0.833 6.310 -11.307 198 HH12 ARG 28 2HH1 ARG 28 1.125 6.031 -13.003 199 HH21 ARG 28 1HH2 ARG 28 -2.131 5.142 -13.700 200 HH22 ARG 28 2HH2 ARG 28 -0.524 5.376 -14.315 201 H VAL 29 H VAL 29 -2.493 3.029 -6.922 202 HA VAL 29 HA VAL 29 0.027 2.218 -5.806 203 HB VAL 29 HB VAL 29 -1.569 0.745 -7.910 204 HG11 VAL 29 1HG1 VAL 29 0.445 -0.201 -5.810 205 HG12 VAL 29 2HG1 VAL 29 -0.543 -1.261 -6.828 206 HG13 VAL 29 3HG1 VAL 29 0.679 -0.224 -7.563 207 HG21 VAL 29 3HG2 VAL 29 -2.106 -0.292 -5.346 208 HG22 VAL 29 1HG2 VAL 29 -2.201 1.438 -5.127 209 HG23 VAL 29 2HG2 VAL 29 -3.194 0.648 -6.362 210 H SER 30 H SER 30 2.094 2.186 -6.587 211 HA SER 30 HA SER 30 2.533 2.925 -9.473 212 HB2 SER 30 1HB SER 30 4.566 3.985 -8.858 213 HB3 SER 30 2HB SER 30 3.272 4.593 -7.817 214 HG SER 30 HG SER 30 5.508 3.031 -7.190 215 H ALA 31 H ALA 31 3.824 0.862 -6.867 216 HA ALA 31 HA ALA 31 4.516 -1.255 -8.752 217 HB1 ALA 31 3HB ALA 31 6.702 0.227 -7.202 218 HB2 ALA 31 1HB ALA 31 6.931 -1.284 -8.112 219 HB3 ALA 31 2HB ALA 31 6.506 0.203 -8.970 220 H ILE 32 H ILE 32 5.345 -3.183 -7.589 221 HA ILE 32 HA ILE 32 4.778 -3.313 -4.677 222 HB ILE 32 HB ILE 32 3.408 -5.094 -6.744 223 HG12 ILE 32 1HG1 ILE 32 2.170 -3.019 -4.881 224 HG13 ILE 32 2HG1 ILE 32 2.359 -2.795 -6.598 225 HG21 ILE 32 1HG2 ILE 32 3.977 -6.392 -4.778 226 HG22 ILE 32 2HG2 ILE 32 3.421 -5.116 -3.688 227 HG23 ILE 32 3HG2 ILE 32 2.267 -6.043 -4.660 228 HD11 ILE 32 3HD1 ILE 32 0.195 -3.921 -5.309 229 HD12 ILE 32 1HD1 ILE 32 0.453 -3.775 -7.054 230 HD13 ILE 32 2HD1 ILE 32 0.911 -5.265 -6.212 231 H ASP 33 H ASP 33 6.109 -4.741 -3.641 232 HA ASP 33 HA ASP 33 7.419 -6.930 -5.088 233 HB2 ASP 33 1HB ASP 33 8.863 -4.428 -4.244 234 HB3 ASP 33 2HB ASP 33 9.642 -5.938 -3.820 235 H VAL 34 H VAL 34 8.665 -8.333 -3.619 236 HA VAL 34 HA VAL 34 7.560 -8.331 -0.828 237 HB VAL 34 HB VAL 34 6.752 -10.238 -1.946 238 HG11 VAL 34 1HG1 VAL 34 8.099 -10.544 -3.873 239 HG12 VAL 34 2HG1 VAL 34 9.591 -10.708 -2.916 240 HG13 VAL 34 3HG1 VAL 34 8.365 -11.990 -2.892 241 HG21 VAL 34 3HG2 VAL 34 9.127 -11.349 -0.425 242 HG22 VAL 34 1HG2 VAL 34 7.772 -10.558 0.390 243 HG23 VAL 34 2HG2 VAL 34 7.478 -12.003 -0.574 244 H LYS 35 H LYS 35 8.914 -8.578 0.891 245 HA LYS 35 HA LYS 35 11.773 -9.035 0.595 246 HB2 LYS 35 1HB LYS 35 12.487 -6.945 1.704 247 HB3 LYS 35 2HB LYS 35 11.819 -6.641 0.110 248 HG2 LYS 35 1HG LYS 35 9.863 -5.662 0.947 249 HG3 LYS 35 2HG LYS 35 10.043 -6.372 2.553 250 HD2 LYS 35 1HD LYS 35 12.018 -4.307 1.513 251 HD3 LYS 35 2HD LYS 35 10.493 -3.866 2.275 252 HE2 LYS 35 1HE LYS 35 11.434 -4.011 4.267 253 HE3 LYS 35 2HE LYS 35 11.496 -5.759 4.058 254 HZ1 LYS 35 3HZ LYS 35 13.749 -5.512 3.163 255 HZ2 LYS 35 1HZ LYS 35 13.670 -4.802 4.623 256 HZ3 LYS 35 2HZ LYS 35 13.669 -3.880 3.279 257 H GLU 36 H GLU 36 12.851 -8.976 2.736 258 HA GLU 36 HA GLU 36 11.062 -9.995 4.898 259 HB2 GLU 36 1HB GLU 36 13.467 -11.051 3.823 260 HB3 GLU 36 2HB GLU 36 13.932 -10.320 5.361 261 HG2 GLU 36 1HG GLU 36 11.776 -11.579 6.255 262 HG3 GLU 36 2HG GLU 36 12.001 -12.545 4.796 263 H VAL 37 H VAL 37 10.547 -8.571 6.431 264 HA VAL 37 HA VAL 37 12.624 -6.589 7.321 265 HB VAL 37 HB VAL 37 10.764 -5.485 6.156 266 HG11 VAL 37 1HG1 VAL 37 8.555 -5.312 7.114 267 HG12 VAL 37 2HG1 VAL 37 8.917 -7.029 6.806 268 HG13 VAL 37 3HG1 VAL 37 8.978 -6.384 8.454 269 HG21 VAL 37 3HG2 VAL 37 12.079 -4.466 8.121 270 HG22 VAL 37 1HG2 VAL 37 10.543 -3.707 7.671 271 HG23 VAL 37 2HG2 VAL 37 10.623 -4.763 9.096 272 H ALA 38 H ALA 38 13.150 -6.605 9.426 273 HA ALA 38 HA ALA 38 13.468 -7.502 11.495 274 HB1 ALA 38 3HB ALA 38 10.443 -7.261 11.661 275 HB2 ALA 38 1HB ALA 38 11.617 -7.129 12.988 276 HB3 ALA 38 2HB ALA 38 11.563 -5.883 11.727 277 H GLY 39 H GLY 39 13.202 -9.586 9.455 278 HA2 GLY 39 1HA GLY 39 13.348 -11.919 9.482 279 HA3 GLY 39 2HA GLY 39 12.777 -11.953 11.141 280 H GLN 40 H GLN 40 10.887 -10.298 8.635 281 HA GLN 40 HA GLN 40 8.953 -12.549 8.413 282 HB2 GLN 40 1HB GLN 40 8.555 -9.929 9.735 283 HB3 GLN 40 2HB GLN 40 7.396 -10.219 8.441 284 HG2 GLN 40 1HG GLN 40 6.873 -12.452 9.435 285 HG3 GLN 40 2HG GLN 40 7.938 -12.063 10.794 286 HE21 GLN 40 2HE2 GLN 40 4.727 -11.651 9.473 287 HE22 GLN 40 1HE2 GLN 40 4.172 -10.570 10.746 288 H LYS 41 H LYS 41 8.812 -13.067 6.373 289 HA LYS 41 HA LYS 41 9.260 -11.075 4.225 290 HB2 LYS 41 1HB LYS 41 10.190 -13.636 4.492 291 HB3 LYS 41 2HB LYS 41 8.747 -13.942 3.551 292 HG2 LYS 41 1HG LYS 41 9.449 -12.377 1.817 293 HG3 LYS 41 2HG LYS 41 10.852 -11.864 2.765 294 HD2 LYS 41 1HD LYS 41 12.069 -13.746 2.319 295 HD3 LYS 41 2HD LYS 41 10.651 -14.804 2.316 296 HE2 LYS 41 1HE LYS 41 10.017 -13.648 0.077 297 HE3 LYS 41 2HE LYS 41 11.676 -13.036 0.075 298 HZ1 LYS 41 3HZ LYS 41 10.715 -15.766 -0.299 299 HZ2 LYS 41 1HZ LYS 41 12.098 -15.632 0.555 300 HZ3 LYS 41 2HZ LYS 41 12.017 -15.040 -0.964 301 H LEU 42 H LEU 42 7.620 -10.120 3.179 302 HA LEU 42 HA LEU 42 5.193 -11.593 2.552 303 HB2 LEU 42 1HB LEU 42 3.645 -10.579 3.960 304 HB3 LEU 42 2HB LEU 42 4.995 -10.799 5.024 305 HG LEU 42 HG LEU 42 5.515 -8.268 4.023 306 HD11 LEU 42 1HD1 LEU 42 3.106 -8.604 2.972 307 HD12 LEU 42 2HD1 LEU 42 3.616 -7.090 3.679 308 HD13 LEU 42 3HD1 LEU 42 2.566 -8.229 4.605 309 HD21 LEU 42 3HD2 LEU 42 4.597 -7.432 6.183 310 HD22 LEU 42 1HD2 LEU 42 5.684 -8.812 6.364 311 HD23 LEU 42 2HD2 LEU 42 3.927 -9.052 6.491 312 H THR 43 H THR 43 3.708 -10.333 1.130 313 HA THR 43 HA THR 43 5.116 -8.747 -0.793 314 HB THR 43 HB THR 43 2.082 -8.847 -0.486 315 HG1 THR 43 HG1 THR 43 2.155 -10.787 -1.563 316 HG21 THR 43 3HG2 THR 43 2.354 -9.031 -3.059 317 HG22 THR 43 1HG2 THR 43 4.022 -8.488 -2.802 318 HG23 THR 43 2HG2 THR 43 2.655 -7.454 -2.312 319 H PHE 44 H PHE 44 5.723 -6.601 -0.572 320 HA PHE 44 HA PHE 44 4.044 -4.794 1.126 321 HB2 PHE 44 1HB PHE 44 6.970 -4.640 0.356 322 HB3 PHE 44 2HB PHE 44 6.059 -3.331 1.100 323 HD1 PHE 44 HD2 PHE 44 5.141 -3.539 3.421 324 HD2 PHE 44 HD1 PHE 44 7.734 -6.514 1.696 325 HE1 PHE 44 HE2 PHE 44 5.525 -4.552 5.701 326 HE2 PHE 44 HE1 PHE 44 8.134 -7.471 3.960 327 HZ PHE 44 HZ PHE 44 6.939 -6.542 5.915 328 H VAL 45 H VAL 45 2.729 -3.587 0.053 329 HA VAL 45 HA VAL 45 3.072 -3.069 -2.843 330 HB VAL 45 HB VAL 45 0.843 -2.023 -2.683 331 HG11 VAL 45 1HG1 VAL 45 1.187 -4.376 -3.364 332 HG12 VAL 45 2HG1 VAL 45 1.028 -4.889 -1.696 333 HG13 VAL 45 3HG1 VAL 45 -0.354 -4.138 -2.554 334 HG21 VAL 45 3HG2 VAL 45 0.753 -3.253 0.119 335 HG22 VAL 45 1HG2 VAL 45 0.781 -1.508 -0.233 336 HG23 VAL 45 2HG2 VAL 45 -0.594 -2.518 -0.733 337 H THR 46 H THR 46 3.512 -1.034 -3.711 338 HA THR 46 HA THR 46 4.067 1.174 -1.783 339 HB THR 46 HB THR 46 5.607 0.623 -4.343 340 HG1 THR 46 HG1 THR 46 6.163 0.018 -1.628 341 HG21 THR 46 3HG2 THR 46 5.747 2.945 -3.788 342 HG22 THR 46 1HG2 THR 46 7.233 2.207 -3.167 343 HG23 THR 46 2HG2 THR 46 5.911 2.611 -2.052 344 H MET 47 H MET 47 2.656 2.720 -1.970 345 HA MET 47 HA MET 47 1.471 3.324 -4.646 346 HB2 MET 47 1HB MET 47 0.115 4.328 -2.209 347 HB3 MET 47 2HB MET 47 -0.558 3.717 -3.702 348 HG2 MET 47 1HG MET 47 0.528 2.071 -1.384 349 HG3 MET 47 2HG MET 47 -1.150 2.355 -1.783 350 HE1 MET 47 3HE MET 47 -1.356 -1.267 -2.585 351 HE2 MET 47 1HE MET 47 -0.919 -0.271 -1.171 352 HE3 MET 47 2HE MET 47 -2.278 0.196 -2.194 353 H ARG 48 H ARG 48 1.100 5.529 -5.138 354 HA ARG 48 HA ARG 48 2.647 7.534 -3.557 355 HB2 ARG 48 1HB ARG 48 2.779 7.326 -6.589 356 HB3 ARG 48 2HB ARG 48 3.695 8.418 -5.534 357 HG2 ARG 48 1HG ARG 48 4.657 6.240 -4.461 358 HG3 ARG 48 2HG ARG 48 3.968 5.417 -5.829 359 HD2 ARG 48 1HD ARG 48 6.133 7.539 -5.844 360 HD3 ARG 48 2HD ARG 48 6.316 5.816 -6.214 361 HE ARG 48 HE ARG 48 4.455 6.842 -8.070 362 HH11 ARG 48 1HH1 ARG 48 7.833 7.346 -7.349 363 HH12 ARG 48 2HH1 ARG 48 8.196 7.934 -8.947 364 HH21 ARG 48 1HH2 ARG 48 4.967 7.607 -10.106 365 HH22 ARG 48 2HH2 ARG 48 6.605 8.060 -10.462 366 H ARG 49 H ARG 49 1.967 9.688 -3.861 367 HA ARG 49 HA ARG 49 -0.813 9.960 -5.035 368 HB2 ARG 49 1HB ARG 49 0.143 11.589 -2.664 369 HB3 ARG 49 2HB ARG 49 -1.478 11.397 -3.311 370 HG2 ARG 49 1HG ARG 49 -1.798 9.916 -1.668 371 HG3 ARG 49 2HG ARG 49 -0.885 8.789 -2.650 372 HD2 ARG 49 1HD ARG 49 -0.021 8.733 -0.386 373 HD3 ARG 49 2HD ARG 49 1.195 9.435 -1.442 374 HE ARG 49 HE ARG 49 1.059 11.405 -0.240 375 HH11 ARG 49 1HH1 ARG 49 -1.888 9.675 0.505 376 HH12 ARG 49 2HH1 ARG 49 -2.439 10.920 1.596 377 HH21 ARG 49 1HH2 ARG 49 0.299 12.951 1.136 378 HH22 ARG 49 2HH2 ARG 49 -1.224 12.723 1.932 379 H GLU 50 H GLU 50 -0.493 10.943 -6.897 380 HA GLU 50 HA GLU 50 1.606 12.832 -7.425 381 HB2 GLU 50 1HB GLU 50 0.665 13.051 -9.584 382 HB3 GLU 50 2HB GLU 50 0.454 11.395 -9.084 383 HG2 GLU 50 1HG GLU 50 -1.645 11.590 -9.782 384 HG3 GLU 50 2HG GLU 50 -1.962 12.392 -8.257 385 H GLU 51 H GLU 51 -1.456 13.213 -5.947 386 HA GLU 51 HA GLU 51 -2.204 15.886 -6.234 387 HB2 GLU 51 1HB GLU 51 -2.237 14.029 -3.822 388 HB3 GLU 51 2HB GLU 51 -3.028 15.595 -3.816 389 HG2 GLU 51 1HG GLU 51 -3.707 13.549 -5.959 390 HG3 GLU 51 2HG GLU 51 -4.388 13.418 -4.347 391 H ASP 52 H ASP 52 0.162 14.589 -3.901 392 HA ASP 52 HA ASP 52 1.271 17.352 -3.426 393 HB2 ASP 52 1HB ASP 52 0.827 15.052 -1.491 394 HB3 ASP 52 2HB ASP 52 1.965 16.350 -1.170 395 H GLY 53 H GLY 53 2.056 14.084 -4.374 396 HA2 GLY 53 1HA GLY 53 4.027 13.327 -5.320 397 HA3 GLY 53 2HA GLY 53 4.888 14.763 -4.775 398 H ALA 54 H ALA 54 2.995 12.443 -2.839 399 HA ALA 54 HA ALA 54 5.450 11.686 -1.279 400 HB1 ALA 54 3HB ALA 54 3.392 11.109 0.426 401 HB2 ALA 54 1HB ALA 54 4.281 12.638 0.411 402 HB3 ALA 54 2HB ALA 54 2.720 12.519 -0.420 403 H VAL 55 H VAL 55 5.313 9.522 -0.228 404 HA VAL 55 HA VAL 55 3.836 7.510 -1.835 405 HB VAL 55 HB VAL 55 5.676 6.079 -2.042 406 HG11 VAL 55 1HG1 VAL 55 7.067 7.222 -3.572 407 HG12 VAL 55 2HG1 VAL 55 5.532 8.118 -3.614 408 HG13 VAL 55 3HG1 VAL 55 6.906 8.771 -2.720 409 HG21 VAL 55 3HG2 VAL 55 8.001 6.686 -1.318 410 HG22 VAL 55 1HG2 VAL 55 7.309 8.009 -0.354 411 HG23 VAL 55 2HG2 VAL 55 6.906 6.315 0.017 412 H VAL 56 H VAL 56 3.244 5.655 -0.837 413 HA VAL 56 HA VAL 56 3.665 5.325 2.082 414 HB VAL 56 HB VAL 56 1.266 4.729 2.372 415 HG11 VAL 56 1HG1 VAL 56 0.506 7.030 2.717 416 HG12 VAL 56 2HG1 VAL 56 2.193 6.834 3.228 417 HG13 VAL 56 3HG1 VAL 56 1.819 7.642 1.691 418 HG21 VAL 56 3HG2 VAL 56 0.207 6.513 0.313 419 HG22 VAL 56 1HG2 VAL 56 0.999 5.124 -0.409 420 HG23 VAL 56 2HG2 VAL 56 -0.297 4.876 0.771 421 H MET 57 H MET 57 4.598 3.442 2.261 422 HA MET 57 HA MET 57 3.742 1.202 0.535 423 HB2 MET 57 1HB MET 57 5.915 0.162 1.025 424 HB3 MET 57 2HB MET 57 5.987 1.660 0.083 425 HG2 MET 57 1HG MET 57 6.626 2.928 2.044 426 HG3 MET 57 2HG MET 57 6.560 1.476 3.051 427 HE1 MET 57 3HE MET 57 8.991 2.862 3.578 428 HE2 MET 57 1HE MET 57 10.359 2.813 2.441 429 HE3 MET 57 2HE MET 57 8.944 3.825 2.083 430 H VAL 58 H VAL 58 2.715 -0.418 1.409 431 HA VAL 58 HA VAL 58 2.831 -0.819 4.354 432 HB VAL 58 HB VAL 58 0.387 -1.183 4.477 433 HG11 VAL 58 1HG1 VAL 58 0.936 0.903 5.289 434 HG12 VAL 58 2HG1 VAL 58 1.347 1.566 3.692 435 HG13 VAL 58 3HG1 VAL 58 -0.340 1.225 4.105 436 HG21 VAL 58 3HG2 VAL 58 0.104 -1.634 1.979 437 HG22 VAL 58 1HG2 VAL 58 -1.106 -0.771 2.893 438 HG23 VAL 58 2HG2 VAL 58 -0.012 0.153 1.830 439 HA PRO 59 HA PRO 59 3.016 -5.085 3.232 440 HB2 PRO 59 1HB PRO 59 2.028 -6.266 5.481 441 HB3 PRO 59 2HB PRO 59 3.618 -5.501 5.431 442 HG2 PRO 59 1HG PRO 59 1.022 -4.341 6.445 443 HG3 PRO 59 2HG PRO 59 2.642 -4.303 7.236 444 HD2 PRO 59 1HD PRO 59 1.734 -2.201 5.837 445 HD3 PRO 59 2HD PRO 59 3.442 -2.703 5.708 446 H GLU 60 H GLU 60 1.673 -6.046 1.735 447 HA GLU 60 HA GLU 60 -1.210 -5.786 1.764 448 HB2 GLU 60 1HB GLU 60 0.781 -6.797 -0.062 449 HB3 GLU 60 2HB GLU 60 -0.444 -8.041 0.137 450 HG2 GLU 60 1HG GLU 60 -0.937 -5.137 -0.543 451 HG3 GLU 60 2HG GLU 60 -0.899 -6.445 -1.718 452 H GLY 61 H GLY 61 0.930 -8.369 2.886 453 HA2 GLY 61 1HA GLY 61 -1.371 -10.085 3.710 454 HA3 GLY 61 2HA GLY 61 0.345 -10.505 3.801 455 H LYS 62 H LYS 62 -0.133 -7.451 5.071 456 HA LYS 62 HA LYS 62 -0.702 -8.367 7.866 457 HB2 LYS 62 1HB LYS 62 1.859 -7.982 6.966 458 HB3 LYS 62 2HB LYS 62 1.445 -6.370 7.570 459 HG2 LYS 62 1HG LYS 62 1.022 -7.221 9.766 460 HG3 LYS 62 2HG LYS 62 1.343 -8.881 9.226 461 HD2 LYS 62 1HD LYS 62 3.615 -8.565 9.041 462 HD3 LYS 62 2HD LYS 62 3.515 -6.880 8.537 463 HE2 LYS 62 1HE LYS 62 2.774 -7.742 11.363 464 HE3 LYS 62 2HE LYS 62 4.459 -7.451 10.921 465 HZ1 LYS 62 3HZ LYS 62 2.378 -5.400 10.421 466 HZ2 LYS 62 1HZ LYS 62 4.001 -5.201 10.463 467 HZ3 LYS 62 2HZ LYS 62 3.179 -5.477 11.843 468 H VAL 63 H VAL 63 -1.655 -6.303 5.465 469 HA VAL 63 HA VAL 63 -2.173 -3.817 6.531 470 HB VAL 63 HB VAL 63 -4.359 -3.893 5.350 471 HG11 VAL 63 1HG1 VAL 63 -2.192 -4.624 3.430 472 HG12 VAL 63 2HG1 VAL 63 -3.560 -3.546 3.223 473 HG13 VAL 63 3HG1 VAL 63 -2.229 -3.079 4.310 474 HG21 VAL 63 3HG2 VAL 63 -3.763 -6.248 3.705 475 HG22 VAL 63 1HG2 VAL 63 -4.275 -6.643 5.345 476 HG23 VAL 63 2HG2 VAL 63 -5.293 -5.626 4.315 477 H LEU 64 H LEU 64 -3.719 -6.786 7.439 478 HA LEU 64 HA LEU 64 -5.982 -5.931 8.855 479 HB2 LEU 64 1HB LEU 64 -4.157 -8.221 9.675 480 HB3 LEU 64 2HB LEU 64 -5.886 -8.063 9.947 481 HG LEU 64 HG LEU 64 -4.468 -8.679 7.298 482 HD11 LEU 64 1HD1 LEU 64 -5.802 -10.752 7.475 483 HD12 LEU 64 2HD1 LEU 64 -6.464 -10.203 9.031 484 HD13 LEU 64 3HD1 LEU 64 -4.726 -10.544 8.865 485 HD21 LEU 64 3HD2 LEU 64 -7.391 -7.981 7.835 486 HD22 LEU 64 1HD2 LEU 64 -6.868 -8.938 6.431 487 HD23 LEU 64 2HD2 LEU 64 -6.296 -7.279 6.625 488 H ALA 65 H ALA 65 -2.593 -5.783 9.813 489 HA ALA 65 HA ALA 65 -3.058 -5.213 12.624 490 HB1 ALA 65 3HB ALA 65 -0.745 -5.238 12.804 491 HB2 ALA 65 1HB ALA 65 -0.973 -6.282 11.391 492 HB3 ALA 65 2HB ALA 65 -0.478 -4.593 11.172 493 H ILE 66 H ILE 66 -2.029 -3.243 9.813 494 HA ILE 66 HA ILE 66 -2.006 -0.692 11.192 495 HB ILE 66 HB ILE 66 -2.260 -1.293 8.231 496 HG12 ILE 66 1HG1 ILE 66 0.348 -0.383 8.650 497 HG13 ILE 66 2HG1 ILE 66 0.076 -1.393 10.063 498 HG21 ILE 66 1HG2 ILE 66 -2.862 1.062 8.740 499 HG22 ILE 66 2HG2 ILE 66 -1.324 1.268 9.598 500 HG23 ILE 66 3HG2 ILE 66 -1.347 0.961 7.848 501 HD11 ILE 66 3HD1 ILE 66 -0.618 -3.256 8.501 502 HD12 ILE 66 1HD1 ILE 66 -0.247 -2.184 7.132 503 HD13 ILE 66 2HD1 ILE 66 1.042 -2.683 8.255 504 H GLY 67 H GLY 67 -4.503 -2.509 9.485 505 HA2 GLY 67 1HA GLY 67 -6.835 -2.314 9.745 506 HA3 GLY 67 2HA GLY 67 -6.651 -0.715 10.464 507 H VAL 68 H VAL 68 -4.785 -0.953 7.640 508 HA VAL 68 HA VAL 68 -6.653 0.797 6.165 509 HB VAL 68 HB VAL 68 -4.811 1.086 4.560 510 HG11 VAL 68 1HG1 VAL 68 -4.544 2.822 5.926 511 HG12 VAL 68 2HG1 VAL 68 -4.664 1.867 7.413 512 HG13 VAL 68 3HG1 VAL 68 -3.135 1.991 6.534 513 HG21 VAL 68 3HG2 VAL 68 -3.116 -0.608 6.415 514 HG22 VAL 68 1HG2 VAL 68 -3.593 -1.049 4.779 515 HG23 VAL 68 2HG2 VAL 68 -2.531 0.342 5.045 516 H ARG 69 H ARG 69 -7.781 0.281 4.365 517 HA ARG 69 HA ARG 69 -7.383 -2.453 3.198 518 HB2 ARG 69 1HB ARG 69 -9.850 -1.051 4.101 519 HB3 ARG 69 2HB ARG 69 -9.968 -1.780 2.519 520 HG2 ARG 69 1HG ARG 69 -9.165 -3.243 5.068 521 HG3 ARG 69 2HG ARG 69 -10.729 -3.311 4.254 522 HD2 ARG 69 1HD ARG 69 -9.001 -4.009 2.197 523 HD3 ARG 69 2HD ARG 69 -8.179 -4.690 3.611 524 HE ARG 69 HE ARG 69 -10.990 -5.370 3.603 525 HH11 ARG 69 1HH1 ARG 69 -7.999 -6.343 2.062 526 HH12 ARG 69 2HH1 ARG 69 -8.638 -7.898 1.611 527 HH21 ARG 69 1HH2 ARG 69 -11.746 -7.352 2.975 528 HH22 ARG 69 2HH2 ARG 69 -10.705 -8.443 2.113 529 H LYS 70 H LYS 70 -6.338 -2.327 1.457 530 HA LYS 70 HA LYS 70 -7.011 -0.321 -0.675 531 HB2 LYS 70 1HB LYS 70 -4.532 -0.736 -1.330 532 HB3 LYS 70 2HB LYS 70 -4.888 0.391 -0.051 533 HG2 LYS 70 1HG LYS 70 -4.244 -2.445 0.717 534 HG3 LYS 70 2HG LYS 70 -2.950 -1.429 0.104 535 HD2 LYS 70 1HD LYS 70 -4.714 -0.684 2.495 536 HD3 LYS 70 2HD LYS 70 -3.117 -1.399 2.548 537 HE2 LYS 70 1HE LYS 70 -2.380 0.757 2.668 538 HE3 LYS 70 2HE LYS 70 -2.533 0.659 0.914 539 HZ1 LYS 70 3HZ LYS 70 -4.352 1.970 2.857 540 HZ2 LYS 70 1HZ LYS 70 -4.926 1.553 1.386 541 HZ3 LYS 70 2HZ LYS 70 -3.676 2.600 1.502 542 H VAL 71 H VAL 71 -8.201 -1.436 -2.029 543 HA VAL 71 HA VAL 71 -7.012 -3.703 -3.475 544 HB VAL 71 HB VAL 71 -9.809 -4.182 -2.416 545 HG11 VAL 71 1HG1 VAL 71 -9.319 -5.635 -4.240 546 HG12 VAL 71 2HG1 VAL 71 -7.647 -5.910 -3.674 547 HG13 VAL 71 3HG1 VAL 71 -9.026 -6.617 -2.824 548 HG21 VAL 71 3HG2 VAL 71 -8.400 -4.142 -0.350 549 HG22 VAL 71 1HG2 VAL 71 -9.033 -5.732 -0.725 550 HG23 VAL 71 2HG2 VAL 71 -7.337 -5.359 -1.090 551 H ALA 72 H ALA 72 -8.378 -4.229 -5.443 552 HA ALA 72 HA ALA 72 -9.185 -2.076 -6.978 553 HB1 ALA 72 3HB ALA 72 -10.086 -4.977 -7.121 554 HB2 ALA 72 1HB ALA 72 -10.238 -3.785 -8.430 555 HB3 ALA 72 2HB ALA 72 -8.630 -4.268 -7.873 556 H SER 73 H SER 73 -11.113 -3.540 -4.540 557 HA SER 73 HA SER 73 -13.430 -1.777 -5.263 558 HB2 SER 73 1HB SER 73 -13.604 -4.462 -5.306 559 HB3 SER 73 2HB SER 73 -13.868 -4.217 -3.573 560 HG SER 73 HG SER 73 -15.515 -2.624 -4.237 561 H ALA 74 H ALA 74 -11.218 -2.778 -2.723 562 HA ALA 74 HA ALA 74 -12.731 -1.692 -0.493 563 HB1 ALA 74 3HB ALA 74 -9.797 -2.317 -0.405 564 HB2 ALA 74 1HB ALA 74 -11.051 -2.413 0.844 565 HB3 ALA 74 2HB ALA 74 -11.028 -3.613 -0.437 566 H GLU 75 H GLU 75 -13.209 0.358 -0.751 567 HA GLU 75 HA GLU 75 -11.032 2.381 -0.922 568 HB2 GLU 75 1HB GLU 75 -13.820 2.475 -2.117 569 HB3 GLU 75 2HB GLU 75 -12.741 3.861 -2.048 570 HG2 GLU 75 1HG GLU 75 -11.660 3.276 -3.895 571 HG3 GLU 75 2HG GLU 75 -11.270 1.702 -3.263 Start of MODEL 5 1 H1 ALA 1 1H ALA 1 -8.443 14.746 1.036 2 H2 ALA 1 2H ALA 1 -9.650 15.168 2.059 3 H3 ALA 1 3H ALA 1 -8.648 13.930 2.440 4 HA ALA 1 HA ALA 1 -9.450 12.718 0.447 5 HB1 ALA 1 3HB ALA 1 -11.683 12.108 1.516 6 HB2 ALA 1 1HB ALA 1 -10.253 11.928 2.540 7 HB3 ALA 1 2HB ALA 1 -11.331 13.321 2.761 8 H GLY 2 H GLY 2 -9.859 13.448 -1.570 9 HA2 GLY 2 1HA GLY 2 -11.888 15.559 -2.096 10 HA3 GLY 2 2HA GLY 2 -10.743 14.869 -3.239 11 H HIS 3 H HIS 3 -11.393 13.215 -4.524 12 HA HIS 3 HA HIS 3 -14.199 12.182 -4.316 13 HB2 HIS 3 1HB HIS 3 -12.155 12.349 -6.563 14 HB3 HIS 3 2HB HIS 3 -13.464 11.180 -6.633 15 HD1 HIS 3 HD1 HIS 3 -13.067 15.036 -6.402 16 HD2 HIS 3 HD2 HIS 3 -15.846 11.979 -7.302 17 HE1 HIS 3 HE1 HIS 3 -15.189 16.210 -7.282 18 HE2 HIS 3 HE2 HIS 3 -16.873 14.342 -7.840 19 H MET 4 H MET 4 -14.638 10.032 -4.102 20 HA MET 4 HA MET 4 -12.934 8.270 -2.709 21 HB2 MET 4 1HB MET 4 -14.635 6.505 -3.540 22 HB3 MET 4 2HB MET 4 -15.227 7.814 -2.535 23 HG2 MET 4 1HG MET 4 -15.318 8.100 -5.537 24 HG3 MET 4 2HG MET 4 -16.481 7.045 -4.741 25 HE1 MET 4 3HE MET 4 -16.888 9.839 -6.528 26 HE2 MET 4 1HE MET 4 -18.232 8.760 -6.087 27 HE3 MET 4 2HE MET 4 -18.322 10.497 -5.709 28 HA PRO 5 HA PRO 5 -10.256 6.480 -5.671 29 HB2 PRO 5 1HB PRO 5 -9.875 3.922 -4.780 30 HB3 PRO 5 2HB PRO 5 -9.286 5.354 -3.883 31 HG2 PRO 5 1HG PRO 5 -11.829 3.764 -3.490 32 HG3 PRO 5 2HG PRO 5 -10.638 4.245 -2.254 33 HD2 PRO 5 1HD PRO 5 -12.906 5.667 -2.671 34 HD3 PRO 5 2HD PRO 5 -11.387 6.486 -2.274 35 H GLU 6 H GLU 6 -10.832 6.142 -7.722 36 HA GLU 6 HA GLU 6 -13.193 4.995 -8.677 37 HB2 GLU 6 1HB GLU 6 -11.227 6.449 -9.783 38 HB3 GLU 6 2HB GLU 6 -10.731 4.890 -10.415 39 HG2 GLU 6 1HG GLU 6 -13.453 6.230 -10.730 40 HG3 GLU 6 2HG GLU 6 -12.192 6.173 -11.955 41 H GLY 7 H GLY 7 -13.945 2.969 -8.766 42 HA2 GLY 7 1HA GLY 7 -12.810 0.764 -9.949 43 HA3 GLY 7 2HA GLY 7 -12.293 0.635 -8.269 44 H SER 8 H SER 8 -13.971 -1.162 -9.655 45 HA SER 8 HA SER 8 -16.402 -1.176 -7.932 46 HB2 SER 8 1HB SER 8 -16.910 0.021 -10.109 47 HB3 SER 8 2HB SER 8 -16.611 -1.511 -10.947 48 HG SER 8 HG SER 8 -18.850 -1.115 -10.397 49 H ALA 9 H ALA 9 -14.307 -2.941 -10.205 50 HA ALA 9 HA ALA 9 -15.402 -5.559 -9.738 51 HB1 ALA 9 3HB ALA 9 -13.394 -6.278 -10.944 52 HB2 ALA 9 1HB ALA 9 -14.074 -4.855 -11.737 53 HB3 ALA 9 2HB ALA 9 -12.637 -4.687 -10.703 54 H SER 10 H SER 10 -14.116 -7.339 -8.730 55 HA SER 10 HA SER 10 -12.576 -6.572 -6.268 56 HB2 SER 10 1HB SER 10 -15.068 -8.226 -6.523 57 HB3 SER 10 2HB SER 10 -13.841 -8.759 -5.367 58 HG SER 10 HG SER 10 -13.965 -6.808 -4.308 59 H LEU 11 H LEU 11 -10.630 -7.066 -7.224 60 HA LEU 11 HA LEU 11 -9.963 -9.952 -7.399 61 HB2 LEU 11 1HB LEU 11 -9.092 -7.903 -9.495 62 HB3 LEU 11 2HB LEU 11 -8.547 -9.560 -9.376 63 HG LEU 11 HG LEU 11 -11.212 -10.046 -9.567 64 HD11 LEU 11 1HD1 LEU 11 -12.187 -8.583 -11.266 65 HD12 LEU 11 2HD1 LEU 11 -10.708 -7.598 -11.325 66 HD13 LEU 11 3HD1 LEU 11 -11.719 -7.591 -9.875 67 HD21 LEU 11 3HD2 LEU 11 -9.472 -11.062 -10.947 68 HD22 LEU 11 1HD2 LEU 11 -9.315 -9.562 -11.891 69 HD23 LEU 11 2HD2 LEU 11 -10.825 -10.506 -11.942 70 H GLN 12 H GLN 12 -7.432 -10.052 -7.732 71 HA GLN 12 HA GLN 12 -6.129 -9.051 -5.384 72 HB2 GLN 12 1HB GLN 12 -5.322 -10.471 -7.916 73 HB3 GLN 12 2HB GLN 12 -4.041 -9.673 -7.023 74 HG2 GLN 12 1HG GLN 12 -4.066 -11.128 -5.296 75 HG3 GLN 12 2HG GLN 12 -5.820 -11.308 -5.293 76 HE21 GLN 12 2HE2 GLN 12 -6.804 -12.964 -6.577 77 HE22 GLN 12 1HE2 GLN 12 -5.817 -14.184 -7.375 78 H LEU 13 H LEU 13 -4.430 -7.605 -5.155 79 HA LEU 13 HA LEU 13 -4.790 -5.130 -6.619 80 HB2 LEU 13 1HB LEU 13 -4.225 -5.679 -4.029 81 HB3 LEU 13 2HB LEU 13 -2.577 -5.517 -4.615 82 HG LEU 13 HG LEU 13 -3.230 -3.459 -3.749 83 HD11 LEU 13 1HD1 LEU 13 -2.074 -3.275 -5.923 84 HD12 LEU 13 2HD1 LEU 13 -3.124 -1.880 -5.594 85 HD13 LEU 13 3HD1 LEU 13 -3.632 -3.126 -6.719 86 HD21 LEU 13 3HD2 LEU 13 -5.281 -2.230 -4.331 87 HD22 LEU 13 1HD2 LEU 13 -5.671 -3.858 -3.741 88 HD23 LEU 13 2HD2 LEU 13 -5.745 -3.493 -5.474 89 H ALA 14 H ALA 14 -3.728 -4.516 -8.344 90 HA ALA 14 HA ALA 14 -1.002 -5.554 -8.984 91 HB1 ALA 14 3HB ALA 14 -3.278 -4.934 -10.918 92 HB2 ALA 14 1HB ALA 14 -1.643 -5.466 -11.365 93 HB3 ALA 14 2HB ALA 14 -2.710 -6.557 -10.464 94 H VAL 15 H VAL 15 0.146 -4.087 -10.548 95 HA VAL 15 HA VAL 15 0.431 -1.453 -9.445 96 HB VAL 15 HB VAL 15 1.446 -2.548 -12.104 97 HG11 VAL 15 1HG1 VAL 15 3.166 -0.714 -11.827 98 HG12 VAL 15 2HG1 VAL 15 1.541 -0.116 -12.159 99 HG13 VAL 15 3HG1 VAL 15 2.177 -0.062 -10.501 100 HG21 VAL 15 3HG2 VAL 15 3.586 -2.810 -10.832 101 HG22 VAL 15 1HG2 VAL 15 2.730 -2.360 -9.337 102 HG23 VAL 15 2HG2 VAL 15 2.309 -3.851 -10.203 103 H GLY 16 H GLY 16 -0.517 0.414 -9.879 104 HA2 GLY 16 1HA GLY 16 -1.620 2.077 -11.115 105 HA3 GLY 16 2HA GLY 16 -2.073 0.906 -12.348 106 H ASP 17 H ASP 17 -2.946 -0.669 -9.561 107 HA ASP 17 HA ASP 17 -5.756 0.024 -9.814 108 HB2 ASP 17 1HB ASP 17 -4.566 -2.212 -8.978 109 HB3 ASP 17 2HB ASP 17 -4.661 -1.384 -7.415 110 H ARG 18 H ARG 18 -6.880 0.355 -7.494 111 HA ARG 18 HA ARG 18 -5.935 3.036 -6.599 112 HB2 ARG 18 1HB ARG 18 -8.581 1.792 -7.101 113 HB3 ARG 18 2HB ARG 18 -8.478 2.517 -5.513 114 HG2 ARG 18 1HG ARG 18 -9.212 4.234 -7.009 115 HG3 ARG 18 2HG ARG 18 -7.561 4.629 -6.574 116 HD2 ARG 18 1HD ARG 18 -7.339 3.023 -8.909 117 HD3 ARG 18 2HD ARG 18 -8.781 3.997 -9.176 118 HE ARG 18 HE ARG 18 -6.497 5.560 -8.251 119 HH11 ARG 18 1HH1 ARG 18 -7.979 4.220 -11.113 120 HH12 ARG 18 2HH1 ARG 18 -7.243 5.387 -12.175 121 HH21 ARG 18 1HH2 ARG 18 -5.647 7.081 -9.632 122 HH22 ARG 18 2HH2 ARG 18 -5.931 6.950 -11.344 123 H VAL 19 H VAL 19 -6.485 3.620 -4.408 124 HA VAL 19 HA VAL 19 -6.507 1.629 -2.309 125 HB VAL 19 HB VAL 19 -4.183 1.457 -2.768 126 HG11 VAL 19 1HG1 VAL 19 -2.694 3.605 -2.557 127 HG12 VAL 19 2HG1 VAL 19 -3.498 3.219 -4.095 128 HG13 VAL 19 3HG1 VAL 19 -4.192 4.421 -3.015 129 HG21 VAL 19 3HG2 VAL 19 -4.959 1.924 -0.293 130 HG22 VAL 19 1HG2 VAL 19 -3.271 1.739 -0.714 131 HG23 VAL 19 2HG2 VAL 19 -3.963 3.366 -0.477 132 H VAL 20 H VAL 20 -6.953 2.485 -0.333 133 HA VAL 20 HA VAL 20 -7.380 5.394 -0.019 134 HB VAL 20 HB VAL 20 -9.546 4.259 -0.441 135 HG11 VAL 20 1HG1 VAL 20 -9.302 2.082 0.443 136 HG12 VAL 20 2HG1 VAL 20 -8.865 2.671 2.064 137 HG13 VAL 20 3HG1 VAL 20 -10.500 2.875 1.472 138 HG21 VAL 20 3HG2 VAL 20 -10.770 5.351 1.230 139 HG22 VAL 20 1HG2 VAL 20 -9.474 5.225 2.420 140 HG23 VAL 20 2HG2 VAL 20 -9.308 6.315 1.014 141 H TYR 21 H TYR 21 -7.275 6.020 2.229 142 HA TYR 21 HA TYR 21 -5.812 4.133 4.018 143 HB2 TYR 21 1HB TYR 21 -4.889 6.565 2.833 144 HB3 TYR 21 2HB TYR 21 -5.189 6.910 4.526 145 HD1 TYR 21 HD1 TYR 21 -3.781 3.991 2.580 146 HD2 TYR 21 HD2 TYR 21 -3.206 6.841 5.776 147 HE1 TYR 21 HE1 TYR 21 -1.623 2.905 3.169 148 HE2 TYR 21 HE2 TYR 21 -1.031 5.791 6.322 149 HH TYR 21 HH TYR 21 0.446 4.146 5.841 150 HA PRO 22 HA PRO 22 -8.911 5.077 7.022 151 HB2 PRO 22 1HB PRO 22 -7.630 4.690 9.407 152 HB3 PRO 22 2HB PRO 22 -7.996 3.364 8.263 153 HG2 PRO 22 1HG PRO 22 -5.391 4.900 8.543 154 HG3 PRO 22 2HG PRO 22 -5.628 3.120 8.515 155 HD2 PRO 22 1HD PRO 22 -4.932 4.491 6.288 156 HD3 PRO 22 2HD PRO 22 -6.081 3.129 6.197 157 H ASN 23 H ASN 23 -6.219 7.104 6.668 158 HA ASN 23 HA ASN 23 -7.603 9.382 8.012 159 HB2 ASN 23 1HB ASN 23 -4.786 8.388 8.478 160 HB3 ASN 23 2HB ASN 23 -5.073 10.127 8.483 161 HD21 ASN 23 2HD2 ASN 23 -4.464 8.013 10.702 162 HD22 ASN 23 1HD2 ASN 23 -5.639 8.509 11.915 163 H GLN 24 H GLN 24 -4.735 8.810 5.921 164 HA GLN 24 HA GLN 24 -4.589 11.293 4.700 165 HB2 GLN 24 1HB GLN 24 -3.969 8.571 3.495 166 HB3 GLN 24 2HB GLN 24 -3.513 10.068 2.742 167 HG2 GLN 24 1HG GLN 24 -2.603 9.334 5.559 168 HG3 GLN 24 2HG GLN 24 -1.752 8.802 4.113 169 HE21 GLN 24 2HE2 GLN 24 -0.953 10.761 6.368 170 HE22 GLN 24 1HE2 GLN 24 -0.419 12.150 5.427 171 H GLY 25 H GLY 25 -6.304 8.500 3.269 172 HA2 GLY 25 1HA GLY 25 -8.532 8.829 2.214 173 HA3 GLY 25 2HA GLY 25 -7.916 10.333 1.520 174 H VAL 26 H VAL 26 -8.150 9.747 -0.617 175 HA VAL 26 HA VAL 26 -7.372 7.186 -1.687 176 HB VAL 26 HB VAL 26 -7.964 8.020 -3.824 177 HG11 VAL 26 1HG1 VAL 26 -10.197 8.424 -3.426 178 HG12 VAL 26 2HG1 VAL 26 -9.687 7.659 -1.912 179 HG13 VAL 26 3HG1 VAL 26 -9.917 9.419 -1.986 180 HG21 VAL 26 3HG2 VAL 26 -7.863 10.822 -2.632 181 HG22 VAL 26 1HG2 VAL 26 -6.967 10.190 -4.026 182 HG23 VAL 26 2HG2 VAL 26 -8.712 10.429 -4.140 183 H CYS 27 H CYS 27 -5.722 6.563 -2.936 184 HA CYS 27 HA CYS 27 -3.418 8.345 -3.528 185 HB2 CYS 27 1HB CYS 27 -3.444 5.907 -1.716 186 HB3 CYS 27 2HB CYS 27 -1.969 6.327 -2.603 187 HG CYS 27 HG CYS 27 -2.276 7.085 0.074 188 H ARG 28 H ARG 28 -1.726 6.917 -4.834 189 HA ARG 28 HA ARG 28 -3.159 5.125 -6.756 190 HB2 ARG 28 1HB ARG 28 -2.680 7.671 -7.423 191 HB3 ARG 28 2HB ARG 28 -1.052 7.079 -7.706 192 HG2 ARG 28 1HG ARG 28 -2.820 5.189 -8.975 193 HG3 ARG 28 2HG ARG 28 -3.501 6.783 -9.263 194 HD2 ARG 28 1HD ARG 28 -1.031 7.414 -9.995 195 HD3 ARG 28 2HD ARG 28 -0.825 5.667 -10.110 196 HE ARG 28 HE ARG 28 -2.162 5.641 -12.021 197 HH11 ARG 28 1HH1 ARG 28 -2.560 8.782 -10.543 198 HH12 ARG 28 2HH1 ARG 28 -3.511 9.398 -11.858 199 HH21 ARG 28 1HH2 ARG 28 -3.348 6.495 -13.704 200 HH22 ARG 28 2HH2 ARG 28 -3.924 8.131 -13.609 201 H VAL 29 H VAL 29 -2.130 3.271 -7.221 202 HA VAL 29 HA VAL 29 0.381 2.632 -5.887 203 HB VAL 29 HB VAL 29 -1.189 1.021 -7.918 204 HG11 VAL 29 1HG1 VAL 29 -0.027 -0.926 -6.907 205 HG12 VAL 29 2HG1 VAL 29 1.109 0.145 -7.716 206 HG13 VAL 29 3HG1 VAL 29 0.986 0.172 -5.944 207 HG21 VAL 29 3HG2 VAL 29 -2.450 0.125 -6.251 208 HG22 VAL 29 1HG2 VAL 29 -1.194 0.311 -5.002 209 HG23 VAL 29 2HG2 VAL 29 -2.207 1.682 -5.480 210 H SER 30 H SER 30 2.399 2.301 -6.707 211 HA SER 30 HA SER 30 2.959 3.204 -9.517 212 HB2 SER 30 1HB SER 30 3.820 4.855 -8.192 213 HB3 SER 30 2HB SER 30 4.304 3.767 -6.887 214 HG SER 30 HG SER 30 5.547 3.895 -9.463 215 H ALA 31 H ALA 31 4.075 1.000 -6.890 216 HA ALA 31 HA ALA 31 4.665 -1.072 -8.860 217 HB1 ALA 31 3HB ALA 31 6.914 0.021 -7.106 218 HB2 ALA 31 1HB ALA 31 7.031 -1.214 -8.390 219 HB3 ALA 31 2HB ALA 31 6.704 0.483 -8.797 220 H ILE 32 H ILE 32 5.173 -3.160 -7.746 221 HA ILE 32 HA ILE 32 4.710 -3.259 -4.817 222 HB ILE 32 HB ILE 32 3.038 -4.880 -6.794 223 HG12 ILE 32 1HG1 ILE 32 2.105 -2.755 -4.817 224 HG13 ILE 32 2HG1 ILE 32 2.282 -2.486 -6.535 225 HG21 ILE 32 1HG2 ILE 32 1.945 -5.719 -4.626 226 HG22 ILE 32 2HG2 ILE 32 3.588 -6.255 -4.878 227 HG23 ILE 32 3HG2 ILE 32 3.265 -4.940 -3.742 228 HD11 ILE 32 3HD1 ILE 32 0.357 -4.565 -5.487 229 HD12 ILE 32 1HD1 ILE 32 -0.009 -2.877 -5.832 230 HD13 ILE 32 2HD1 ILE 32 0.549 -3.940 -7.141 231 H ASP 33 H ASP 33 5.988 -4.786 -3.860 232 HA ASP 33 HA ASP 33 6.900 -7.105 -5.383 233 HB2 ASP 33 1HB ASP 33 8.520 -4.957 -5.669 234 HB3 ASP 33 2HB ASP 33 9.113 -5.500 -4.106 235 H VAL 34 H VAL 34 8.333 -8.560 -3.919 236 HA VAL 34 HA VAL 34 7.269 -8.449 -1.117 237 HB VAL 34 HB VAL 34 7.602 -10.790 -0.918 238 HG11 VAL 34 1HG1 VAL 34 5.699 -9.660 -2.745 239 HG12 VAL 34 2HG1 VAL 34 6.199 -11.211 -3.400 240 HG13 VAL 34 3HG1 VAL 34 5.570 -11.114 -1.750 241 HG21 VAL 34 3HG2 VAL 34 9.563 -11.224 -2.267 242 HG22 VAL 34 1HG2 VAL 34 8.237 -12.243 -2.831 243 HG23 VAL 34 2HG2 VAL 34 8.690 -10.795 -3.757 244 H LYS 35 H LYS 35 8.635 -8.598 0.645 245 HA LYS 35 HA LYS 35 11.483 -9.080 0.299 246 HB2 LYS 35 1HB LYS 35 12.313 -6.978 1.070 247 HB3 LYS 35 2HB LYS 35 11.380 -6.684 -0.384 248 HG2 LYS 35 1HG LYS 35 9.573 -5.679 0.847 249 HG3 LYS 35 2HG LYS 35 10.190 -6.301 2.388 250 HD2 LYS 35 1HD LYS 35 12.332 -4.864 1.772 251 HD3 LYS 35 2HD LYS 35 11.196 -3.968 0.755 252 HE2 LYS 35 1HE LYS 35 9.956 -3.204 2.600 253 HE3 LYS 35 2HE LYS 35 10.373 -4.610 3.579 254 HZ1 LYS 35 3HZ LYS 35 11.558 -2.676 4.397 255 HZ2 LYS 35 1HZ LYS 35 12.228 -2.379 2.939 256 HZ3 LYS 35 2HZ LYS 35 12.650 -3.718 3.773 257 H GLU 36 H GLU 36 12.650 -8.705 2.422 258 HA GLU 36 HA GLU 36 10.981 -9.635 4.720 259 HB2 GLU 36 1HB GLU 36 13.438 -10.660 3.645 260 HB3 GLU 36 2HB GLU 36 13.835 -9.883 5.169 261 HG2 GLU 36 1HG GLU 36 11.564 -11.323 5.846 262 HG3 GLU 36 2HG GLU 36 12.313 -12.346 4.620 263 H VAL 37 H VAL 37 10.460 -8.073 6.102 264 HA VAL 37 HA VAL 37 12.577 -6.090 6.884 265 HB VAL 37 HB VAL 37 10.758 -5.074 5.503 266 HG11 VAL 37 1HG1 VAL 37 8.577 -4.673 6.387 267 HG12 VAL 37 2HG1 VAL 37 8.875 -6.426 6.493 268 HG13 VAL 37 3HG1 VAL 37 8.981 -5.417 7.946 269 HG21 VAL 37 3HG2 VAL 37 12.143 -3.726 7.038 270 HG22 VAL 37 1HG2 VAL 37 10.486 -3.100 6.917 271 HG23 VAL 37 2HG2 VAL 37 10.977 -4.018 8.349 272 H ALA 38 H ALA 38 12.900 -5.797 9.030 273 HA ALA 38 HA ALA 38 13.055 -6.448 11.203 274 HB1 ALA 38 3HB ALA 38 11.147 -5.870 12.488 275 HB2 ALA 38 1HB ALA 38 11.051 -4.877 11.027 276 HB3 ALA 38 2HB ALA 38 10.028 -6.318 11.189 277 H GLY 39 H GLY 39 12.987 -8.742 9.397 278 HA2 GLY 39 1HA GLY 39 13.148 -11.051 9.658 279 HA3 GLY 39 2HA GLY 39 12.480 -10.928 11.279 280 H GLN 40 H GLN 40 10.734 -9.605 8.463 281 HA GLN 40 HA GLN 40 8.868 -11.907 8.422 282 HB2 GLN 40 1HB GLN 40 8.350 -9.262 9.579 283 HB3 GLN 40 2HB GLN 40 7.323 -9.509 8.189 284 HG2 GLN 40 1HG GLN 40 7.128 -11.972 9.564 285 HG3 GLN 40 2HG GLN 40 7.261 -10.782 10.852 286 HE21 GLN 40 2HE2 GLN 40 5.097 -10.644 11.596 287 HE22 GLN 40 1HE2 GLN 40 3.744 -10.440 10.486 288 H LYS 41 H LYS 41 8.686 -12.634 6.483 289 HA LYS 41 HA LYS 41 9.274 -10.951 4.122 290 HB2 LYS 41 1HB LYS 41 10.320 -13.316 4.797 291 HB3 LYS 41 2HB LYS 41 8.941 -13.944 3.945 292 HG2 LYS 41 1HG LYS 41 10.839 -11.877 2.720 293 HG3 LYS 41 2HG LYS 41 11.137 -13.606 2.685 294 HD2 LYS 41 1HD LYS 41 8.719 -13.739 1.592 295 HD3 LYS 41 2HD LYS 41 8.980 -12.023 1.270 296 HE2 LYS 41 1HE LYS 41 9.646 -13.309 -0.667 297 HE3 LYS 41 2HE LYS 41 11.090 -12.586 0.046 298 HZ1 LYS 41 3HZ LYS 41 11.252 -15.018 -0.599 299 HZ2 LYS 41 1HZ LYS 41 10.256 -15.377 0.639 300 HZ3 LYS 41 2HZ LYS 41 11.715 -14.701 0.927 301 H LEU 42 H LEU 42 7.602 -10.034 3.098 302 HA LEU 42 HA LEU 42 5.290 -11.623 2.316 303 HB2 LEU 42 1HB LEU 42 3.606 -10.678 3.605 304 HB3 LEU 42 2HB LEU 42 4.878 -10.908 4.756 305 HG LEU 42 HG LEU 42 5.368 -8.320 3.833 306 HD11 LEU 42 1HD1 LEU 42 2.419 -8.375 4.399 307 HD12 LEU 42 2HD1 LEU 42 2.973 -8.695 2.759 308 HD13 LEU 42 3HD1 LEU 42 3.449 -7.188 3.515 309 HD21 LEU 42 3HD2 LEU 42 3.737 -9.205 6.245 310 HD22 LEU 42 1HD2 LEU 42 4.419 -7.582 6.009 311 HD23 LEU 42 2HD2 LEU 42 5.496 -8.975 6.175 312 H THR 43 H THR 43 3.656 -10.191 1.066 313 HA THR 43 HA THR 43 5.060 -8.608 -0.910 314 HB THR 43 HB THR 43 2.042 -8.760 -0.528 315 HG1 THR 43 HG1 THR 43 2.069 -10.644 -1.637 316 HG21 THR 43 3HG2 THR 43 2.341 -8.869 -3.161 317 HG22 THR 43 1HG2 THR 43 3.905 -8.114 -2.825 318 HG23 THR 43 2HG2 THR 43 2.404 -7.315 -2.317 319 H PHE 44 H PHE 44 5.655 -6.502 -0.670 320 HA PHE 44 HA PHE 44 3.992 -4.720 1.070 321 HB2 PHE 44 1HB PHE 44 6.945 -4.589 0.425 322 HB3 PHE 44 2HB PHE 44 6.014 -3.309 1.200 323 HD1 PHE 44 HD2 PHE 44 5.003 -3.602 3.453 324 HD2 PHE 44 HD1 PHE 44 7.644 -6.538 1.724 325 HE1 PHE 44 HE2 PHE 44 5.306 -4.667 5.703 326 HE2 PHE 44 HE1 PHE 44 7.981 -7.549 3.970 327 HZ PHE 44 HZ PHE 44 6.731 -6.678 5.914 328 H VAL 45 H VAL 45 2.724 -3.470 -0.023 329 HA VAL 45 HA VAL 45 3.087 -2.933 -2.890 330 HB VAL 45 HB VAL 45 1.019 -1.561 -2.623 331 HG11 VAL 45 1HG1 VAL 45 0.894 -3.921 -3.297 332 HG12 VAL 45 2HG1 VAL 45 0.946 -4.437 -1.615 333 HG13 VAL 45 3HG1 VAL 45 -0.460 -3.549 -2.234 334 HG21 VAL 45 3HG2 VAL 45 1.475 -1.260 -0.015 335 HG22 VAL 45 1HG2 VAL 45 -0.153 -1.369 -0.599 336 HG23 VAL 45 2HG2 VAL 45 0.593 -2.799 0.101 337 H THR 46 H THR 46 3.643 -0.920 -3.843 338 HA THR 46 HA THR 46 4.431 1.255 -1.959 339 HB THR 46 HB THR 46 5.899 0.744 -4.556 340 HG1 THR 46 HG1 THR 46 6.372 -0.329 -1.979 341 HG21 THR 46 3HG2 THR 46 6.606 2.185 -1.955 342 HG22 THR 46 1HG2 THR 46 6.170 2.964 -3.493 343 HG23 THR 46 2HG2 THR 46 7.664 2.017 -3.367 344 H MET 47 H MET 47 3.014 2.791 -2.129 345 HA MET 47 HA MET 47 1.952 3.589 -4.799 346 HB2 MET 47 1HB MET 47 0.707 4.050 -2.065 347 HB3 MET 47 2HB MET 47 -0.000 4.405 -3.618 348 HG2 MET 47 1HG MET 47 -1.057 2.448 -3.350 349 HG3 MET 47 2HG MET 47 0.417 1.771 -4.002 350 HE1 MET 47 3HE MET 47 -0.772 1.714 0.476 351 HE2 MET 47 1HE MET 47 0.172 3.076 -0.150 352 HE3 MET 47 2HE MET 47 -1.441 2.793 -0.777 353 H ARG 48 H ARG 48 1.390 5.861 -4.943 354 HA ARG 48 HA ARG 48 3.021 7.727 -3.335 355 HB2 ARG 48 1HB ARG 48 4.035 8.763 -5.308 356 HB3 ARG 48 2HB ARG 48 4.554 7.099 -5.056 357 HG2 ARG 48 1HG ARG 48 2.851 6.399 -6.843 358 HG3 ARG 48 2HG ARG 48 2.625 8.126 -7.170 359 HD2 ARG 48 1HD ARG 48 5.171 8.250 -7.470 360 HD3 ARG 48 2HD ARG 48 5.170 6.472 -7.475 361 HE ARG 48 HE ARG 48 3.228 7.200 -9.346 362 HH11 ARG 48 1HH1 ARG 48 6.640 7.879 -9.081 363 HH12 ARG 48 2HH1 ARG 48 6.820 8.143 -10.794 364 HH21 ARG 48 1HH2 ARG 48 3.505 7.526 -11.511 365 HH22 ARG 48 2HH2 ARG 48 5.079 7.914 -12.135 366 H ARG 49 H ARG 49 1.831 9.314 -2.721 367 HA ARG 49 HA ARG 49 -0.876 9.765 -3.853 368 HB2 ARG 49 1HB ARG 49 -0.390 9.837 -1.394 369 HB3 ARG 49 2HB ARG 49 0.654 11.237 -1.637 370 HG2 ARG 49 1HG ARG 49 -1.259 12.523 -2.520 371 HG3 ARG 49 2HG ARG 49 -2.297 11.101 -2.387 372 HD2 ARG 49 1HD ARG 49 -2.923 11.958 -0.439 373 HD3 ARG 49 2HD ARG 49 -1.417 11.291 0.202 374 HE ARG 49 HE ARG 49 -0.638 13.798 -0.648 375 HH11 ARG 49 1HH1 ARG 49 -3.077 12.730 1.579 376 HH12 ARG 49 2HH1 ARG 49 -3.298 14.311 2.274 377 HH21 ARG 49 1HH2 ARG 49 -1.062 15.918 0.244 378 HH22 ARG 49 2HH2 ARG 49 -2.077 15.956 1.629 379 H GLU 50 H GLU 50 -0.831 10.736 -5.821 380 HA GLU 50 HA GLU 50 1.133 12.665 -6.639 381 HB2 GLU 50 1HB GLU 50 -1.600 12.207 -7.882 382 HB3 GLU 50 2HB GLU 50 -0.200 13.019 -8.604 383 HG2 GLU 50 1HG GLU 50 1.025 10.720 -8.088 384 HG3 GLU 50 2HG GLU 50 -0.618 10.077 -8.060 385 H GLU 51 H GLU 51 -1.621 13.089 -4.695 386 HA GLU 51 HA GLU 51 -2.418 15.745 -5.124 387 HB2 GLU 51 1HB GLU 51 -3.026 13.715 -3.318 388 HB3 GLU 51 2HB GLU 51 -2.232 14.887 -2.285 389 HG2 GLU 51 1HG GLU 51 -4.346 15.644 -2.079 390 HG3 GLU 51 2HG GLU 51 -3.901 16.584 -3.500 391 H ASP 52 H ASP 52 0.283 14.558 -3.220 392 HA ASP 52 HA ASP 52 1.481 17.314 -3.005 393 HB2 ASP 52 1HB ASP 52 0.964 15.299 -0.842 394 HB3 ASP 52 2HB ASP 52 2.511 16.120 -0.790 395 H GLY 53 H GLY 53 2.069 13.952 -3.791 396 HA2 GLY 53 1HA GLY 53 3.924 13.163 -4.982 397 HA3 GLY 53 2HA GLY 53 4.901 14.525 -4.447 398 H ALA 54 H ALA 54 3.112 12.872 -1.959 399 HA ALA 54 HA ALA 54 5.565 11.850 -0.684 400 HB1 ALA 54 3HB ALA 54 2.617 11.708 0.112 401 HB2 ALA 54 1HB ALA 54 3.982 11.206 1.127 402 HB3 ALA 54 2HB ALA 54 3.804 12.910 0.675 403 H VAL 55 H VAL 55 5.645 9.609 0.142 404 HA VAL 55 HA VAL 55 4.477 7.596 -1.748 405 HB VAL 55 HB VAL 55 6.268 6.099 -1.240 406 HG11 VAL 55 1HG1 VAL 55 6.454 8.334 -2.890 407 HG12 VAL 55 2HG1 VAL 55 7.986 8.357 -2.004 408 HG13 VAL 55 3HG1 VAL 55 7.502 6.913 -2.909 409 HG21 VAL 55 3HG2 VAL 55 6.933 6.713 1.008 410 HG22 VAL 55 1HG2 VAL 55 8.329 6.844 -0.065 411 HG23 VAL 55 2HG2 VAL 55 7.482 8.312 0.462 412 H VAL 56 H VAL 56 3.611 5.718 -0.949 413 HA VAL 56 HA VAL 56 3.097 5.490 1.980 414 HB VAL 56 HB VAL 56 0.900 5.382 -0.135 415 HG11 VAL 56 1HG1 VAL 56 -0.600 5.123 1.770 416 HG12 VAL 56 2HG1 VAL 56 0.603 3.831 1.844 417 HG13 VAL 56 3HG1 VAL 56 0.760 5.235 2.907 418 HG21 VAL 56 3HG2 VAL 56 1.469 7.733 0.280 419 HG22 VAL 56 1HG2 VAL 56 -0.066 7.337 1.056 420 HG23 VAL 56 2HG2 VAL 56 1.409 7.458 2.037 421 H MET 57 H MET 57 3.963 3.533 2.432 422 HA MET 57 HA MET 57 3.363 1.284 0.594 423 HB2 MET 57 1HB MET 57 5.525 0.352 0.931 424 HB3 MET 57 2HB MET 57 5.645 2.002 0.316 425 HG2 MET 57 1HG MET 57 7.039 2.478 1.942 426 HG3 MET 57 2HG MET 57 5.733 2.295 3.099 427 HE1 MET 57 3HE MET 57 9.006 1.759 2.386 428 HE2 MET 57 1HE MET 57 9.127 1.291 4.098 429 HE3 MET 57 2HE MET 57 9.537 0.125 2.821 430 H VAL 58 H VAL 58 2.560 -0.517 1.412 431 HA VAL 58 HA VAL 58 2.559 -0.946 4.325 432 HB VAL 58 HB VAL 58 0.143 -1.349 4.475 433 HG11 VAL 58 1HG1 VAL 58 0.668 1.441 3.416 434 HG12 VAL 58 2HG1 VAL 58 -0.611 0.931 4.523 435 HG13 VAL 58 3HG1 VAL 58 1.072 0.874 5.052 436 HG21 VAL 58 3HG2 VAL 58 -0.051 -0.289 1.644 437 HG22 VAL 58 1HG2 VAL 58 -0.497 -1.918 2.222 438 HG23 VAL 58 2HG2 VAL 58 -1.412 -0.503 2.753 439 HA PRO 59 HA PRO 59 2.804 -5.189 3.124 440 HB2 PRO 59 1HB PRO 59 1.835 -6.436 5.354 441 HB3 PRO 59 2HB PRO 59 3.412 -5.645 5.309 442 HG2 PRO 59 1HG PRO 59 0.807 -4.506 6.337 443 HG3 PRO 59 2HG PRO 59 2.420 -4.492 7.143 444 HD2 PRO 59 1HD PRO 59 1.544 -2.356 5.789 445 HD3 PRO 59 2HD PRO 59 3.243 -2.877 5.631 446 H GLU 60 H GLU 60 1.475 -6.152 1.619 447 HA GLU 60 HA GLU 60 -1.413 -5.906 1.671 448 HB2 GLU 60 1HB GLU 60 0.602 -7.064 -0.127 449 HB3 GLU 60 2HB GLU 60 -0.862 -8.040 -0.067 450 HG2 GLU 60 1HG GLU 60 -0.923 -5.043 -0.454 451 HG3 GLU 60 2HG GLU 60 -0.744 -6.161 -1.806 452 H GLY 61 H GLY 61 0.722 -8.499 2.783 453 HA2 GLY 61 1HA GLY 61 -1.595 -10.226 3.545 454 HA3 GLY 61 2HA GLY 61 0.120 -10.644 3.678 455 H LYS 62 H LYS 62 -0.411 -7.588 4.933 456 HA LYS 62 HA LYS 62 -1.036 -8.512 7.713 457 HB2 LYS 62 1HB LYS 62 1.536 -8.194 6.906 458 HB3 LYS 62 2HB LYS 62 1.133 -6.537 7.372 459 HG2 LYS 62 1HG LYS 62 0.651 -7.192 9.627 460 HG3 LYS 62 2HG LYS 62 0.985 -8.896 9.229 461 HD2 LYS 62 1HD LYS 62 3.280 -8.460 8.752 462 HD3 LYS 62 2HD LYS 62 3.051 -6.717 8.601 463 HE2 LYS 62 1HE LYS 62 2.496 -6.589 11.037 464 HE3 LYS 62 2HE LYS 62 2.776 -8.326 11.183 465 HZ1 LYS 62 3HZ LYS 62 4.783 -7.231 11.806 466 HZ2 LYS 62 1HZ LYS 62 4.784 -6.248 10.504 467 HZ3 LYS 62 2HZ LYS 62 5.085 -7.847 10.324 468 H VAL 63 H VAL 63 -1.885 -6.374 5.305 469 HA VAL 63 HA VAL 63 -2.384 -3.916 6.436 470 HB VAL 63 HB VAL 63 -4.571 -3.956 5.201 471 HG11 VAL 63 1HG1 VAL 63 -3.671 -3.354 3.182 472 HG12 VAL 63 2HG1 VAL 63 -2.324 -3.101 4.306 473 HG13 VAL 63 3HG1 VAL 63 -2.366 -4.535 3.264 474 HG21 VAL 63 3HG2 VAL 63 -4.514 -6.646 5.089 475 HG22 VAL 63 1HG2 VAL 63 -5.394 -5.609 3.958 476 HG23 VAL 63 2HG2 VAL 63 -3.814 -6.252 3.516 477 H LEU 64 H LEU 64 -4.011 -6.869 7.249 478 HA LEU 64 HA LEU 64 -6.288 -5.966 8.624 479 HB2 LEU 64 1HB LEU 64 -4.604 -8.333 9.490 480 HB3 LEU 64 2HB LEU 64 -6.344 -8.126 9.623 481 HG LEU 64 HG LEU 64 -4.721 -8.746 7.101 482 HD11 LEU 64 1HD1 LEU 64 -7.059 -10.304 8.229 483 HD12 LEU 64 2HD1 LEU 64 -5.427 -10.529 8.881 484 HD13 LEU 64 3HD1 LEU 64 -5.739 -10.840 7.169 485 HD21 LEU 64 3HD2 LEU 64 -7.692 -8.073 7.365 486 HD22 LEU 64 1HD2 LEU 64 -6.975 -8.899 5.964 487 HD23 LEU 64 2HD2 LEU 64 -6.494 -7.245 6.355 488 H ALA 65 H ALA 65 -2.919 -5.947 9.667 489 HA ALA 65 HA ALA 65 -3.425 -5.338 12.474 490 HB1 ALA 65 3HB ALA 65 -0.984 -5.044 12.548 491 HB2 ALA 65 1HB ALA 65 -1.413 -6.554 11.720 492 HB3 ALA 65 2HB ALA 65 -0.891 -5.138 10.780 493 H ILE 66 H ILE 66 -2.258 -3.410 9.668 494 HA ILE 66 HA ILE 66 -2.182 -0.879 11.070 495 HB ILE 66 HB ILE 66 -2.388 -1.418 8.083 496 HG12 ILE 66 1HG1 ILE 66 0.215 -0.566 8.596 497 HG13 ILE 66 2HG1 ILE 66 -0.118 -1.544 10.017 498 HG21 ILE 66 1HG2 ILE 66 -2.990 0.913 8.514 499 HG22 ILE 66 2HG2 ILE 66 -1.561 1.117 9.553 500 HG23 ILE 66 3HG2 ILE 66 -1.384 0.842 7.807 501 HD11 ILE 66 3HD1 ILE 66 -0.765 -3.439 8.486 502 HD12 ILE 66 1HD1 ILE 66 -0.375 -2.397 7.100 503 HD13 ILE 66 2HD1 ILE 66 0.897 -2.872 8.251 504 H GLY 67 H GLY 67 -4.726 -2.569 9.319 505 HA2 GLY 67 1HA GLY 67 -7.050 -2.261 9.514 506 HA3 GLY 67 2HA GLY 67 -6.811 -0.685 10.268 507 H VAL 68 H VAL 68 -4.833 -0.808 7.581 508 HA VAL 68 HA VAL 68 -6.544 0.932 5.956 509 HB VAL 68 HB VAL 68 -4.182 1.397 6.101 510 HG11 VAL 68 1HG1 VAL 68 -3.301 -0.878 4.374 511 HG12 VAL 68 2HG1 VAL 68 -2.415 0.069 5.580 512 HG13 VAL 68 3HG1 VAL 68 -3.509 -1.221 6.089 513 HG21 VAL 68 3HG2 VAL 68 -5.405 2.003 4.059 514 HG22 VAL 68 1HG2 VAL 68 -3.697 1.666 3.723 515 HG23 VAL 68 2HG2 VAL 68 -4.929 0.480 3.290 516 H ARG 69 H ARG 69 -7.989 0.216 4.488 517 HA ARG 69 HA ARG 69 -7.651 -2.550 3.356 518 HB2 ARG 69 1HB ARG 69 -10.028 -1.018 4.263 519 HB3 ARG 69 2HB ARG 69 -10.233 -1.745 2.682 520 HG2 ARG 69 1HG ARG 69 -9.186 -3.289 5.084 521 HG3 ARG 69 2HG ARG 69 -10.899 -3.190 4.696 522 HD2 ARG 69 1HD ARG 69 -9.053 -4.082 2.483 523 HD3 ARG 69 2HD ARG 69 -9.295 -5.186 3.842 524 HE ARG 69 HE ARG 69 -11.843 -4.244 2.942 525 HH11 ARG 69 1HH1 ARG 69 -9.348 -6.473 1.925 526 HH12 ARG 69 2HH1 ARG 69 -10.484 -7.520 1.121 527 HH21 ARG 69 1HH2 ARG 69 -13.239 -5.609 1.894 528 HH22 ARG 69 2HH2 ARG 69 -12.625 -7.023 1.097 529 H LYS 70 H LYS 70 -6.561 -2.468 1.557 530 HA LYS 70 HA LYS 70 -7.236 -0.340 -0.466 531 HB2 LYS 70 1HB LYS 70 -4.962 -0.490 -1.234 532 HB3 LYS 70 2HB LYS 70 -5.028 -0.069 0.478 533 HG2 LYS 70 1HG LYS 70 -3.480 -1.569 0.877 534 HG3 LYS 70 2HG LYS 70 -4.686 -2.811 0.592 535 HD2 LYS 70 1HD LYS 70 -2.666 -3.263 -0.653 536 HD3 LYS 70 2HD LYS 70 -3.980 -2.972 -1.777 537 HE2 LYS 70 1HE LYS 70 -2.301 -0.610 -0.964 538 HE3 LYS 70 2HE LYS 70 -1.483 -1.848 -1.912 539 HZ1 LYS 70 3HZ LYS 70 -4.012 -0.739 -2.932 540 HZ2 LYS 70 1HZ LYS 70 -2.799 -1.482 -3.741 541 HZ3 LYS 70 2HZ LYS 70 -2.584 0.031 -3.181 542 H VAL 71 H VAL 71 -8.660 -1.215 -1.782 543 HA VAL 71 HA VAL 71 -7.800 -3.470 -3.494 544 HB VAL 71 HB VAL 71 -10.532 -3.697 -2.204 545 HG11 VAL 71 1HG1 VAL 71 -10.238 -6.140 -2.895 546 HG12 VAL 71 2HG1 VAL 71 -10.450 -5.012 -4.207 547 HG13 VAL 71 3HG1 VAL 71 -8.818 -5.620 -3.816 548 HG21 VAL 71 3HG2 VAL 71 -8.933 -4.062 -0.331 549 HG22 VAL 71 1HG2 VAL 71 -9.784 -5.525 -0.785 550 HG23 VAL 71 2HG2 VAL 71 -8.106 -5.298 -1.311 551 H ALA 72 H ALA 72 -9.299 -3.726 -5.374 552 HA ALA 72 HA ALA 72 -10.006 -1.335 -6.650 553 HB1 ALA 72 3HB ALA 72 -10.881 -4.215 -7.070 554 HB2 ALA 72 1HB ALA 72 -11.206 -2.894 -8.222 555 HB3 ALA 72 2HB ALA 72 -9.538 -3.366 -7.846 556 H SER 73 H SER 73 -12.042 -3.346 -4.531 557 HA SER 73 HA SER 73 -14.314 -1.405 -4.779 558 HB2 SER 73 1HB SER 73 -14.141 -4.142 -3.474 559 HB3 SER 73 2HB SER 73 -15.537 -3.067 -3.334 560 HG SER 73 HG SER 73 -15.831 -3.154 -5.555 561 H ALA 74 H ALA 74 -12.133 -2.776 -2.296 562 HA ALA 74 HA ALA 74 -13.354 -1.599 -0.010 563 HB1 ALA 74 3HB ALA 74 -11.722 -3.541 -0.109 564 HB2 ALA 74 1HB ALA 74 -10.436 -2.298 -0.182 565 HB3 ALA 74 2HB ALA 74 -11.566 -2.362 1.186 566 H GLU 75 H GLU 75 -13.719 0.448 0.191 567 HA GLU 75 HA GLU 75 -11.645 2.480 -0.375 568 HB2 GLU 75 1HB GLU 75 -13.255 3.833 -1.534 569 HB3 GLU 75 2HB GLU 75 -13.210 2.234 -2.272 570 HG2 GLU 75 1HG GLU 75 -15.301 1.725 -0.801 571 HG3 GLU 75 2HG GLU 75 -15.365 3.459 -0.509 Start of MODEL 6 1 H1 ALA 1 1H ALA 1 -12.568 18.043 -12.529 2 H2 ALA 1 2H ALA 1 -11.300 17.220 -11.904 3 H3 ALA 1 3H ALA 1 -12.812 16.592 -11.821 4 HA ALA 1 HA ALA 1 -11.838 19.011 -10.460 5 HB1 ALA 1 3HB ALA 1 -14.209 19.255 -11.142 6 HB2 ALA 1 1HB ALA 1 -14.625 17.785 -10.235 7 HB3 ALA 1 2HB ALA 1 -14.004 19.216 -9.385 8 H GLY 2 H GLY 2 -13.521 15.915 -9.592 9 HA2 GLY 2 1HA GLY 2 -11.301 14.985 -7.938 10 HA3 GLY 2 2HA GLY 2 -12.651 15.636 -7.004 11 H HIS 3 H HIS 3 -12.229 13.516 -9.870 12 HA HIS 3 HA HIS 3 -14.524 11.845 -9.407 13 HB2 HIS 3 1HB HIS 3 -11.948 11.365 -10.967 14 HB3 HIS 3 2HB HIS 3 -13.283 10.224 -10.928 15 HD1 HIS 3 HD1 HIS 3 -15.809 11.714 -11.555 16 HD2 HIS 3 HD2 HIS 3 -12.040 12.699 -13.205 17 HE1 HIS 3 HE1 HIS 3 -16.283 13.028 -13.716 18 HE2 HIS 3 HE2 HIS 3 -13.988 13.619 -14.724 19 H MET 4 H MET 4 -14.887 10.627 -7.711 20 HA MET 4 HA MET 4 -13.000 9.818 -5.781 21 HB2 MET 4 1HB MET 4 -15.866 9.165 -6.387 22 HB3 MET 4 2HB MET 4 -14.996 7.932 -5.492 23 HG2 MET 4 1HG MET 4 -15.792 9.191 -3.768 24 HG3 MET 4 2HG MET 4 -14.177 9.851 -3.953 25 HE1 MET 4 3HE MET 4 -15.428 11.354 -2.201 26 HE2 MET 4 1HE MET 4 -14.277 12.405 -3.054 27 HE3 MET 4 2HE MET 4 -15.928 12.976 -2.726 28 HA PRO 5 HA PRO 5 -10.968 6.213 -7.293 29 HB2 PRO 5 1HB PRO 5 -10.753 4.611 -5.070 30 HB3 PRO 5 2HB PRO 5 -9.823 6.116 -5.273 31 HG2 PRO 5 1HG PRO 5 -12.420 5.762 -3.761 32 HG3 PRO 5 2HG PRO 5 -10.905 6.559 -3.208 33 HD2 PRO 5 1HD PRO 5 -12.961 7.978 -4.202 34 HD3 PRO 5 2HD PRO 5 -11.282 8.418 -4.636 35 H GLU 6 H GLU 6 -11.707 4.623 -8.568 36 HA GLU 6 HA GLU 6 -13.824 2.748 -7.717 37 HB2 GLU 6 1HB GLU 6 -14.111 4.794 -9.883 38 HB3 GLU 6 2HB GLU 6 -14.587 3.153 -10.306 39 HG2 GLU 6 1HG GLU 6 -16.094 3.031 -8.372 40 HG3 GLU 6 2HG GLU 6 -15.652 4.674 -7.897 41 H GLY 7 H GLY 7 -13.899 0.810 -8.924 42 HA2 GLY 7 1HA GLY 7 -12.308 0.122 -11.174 43 HA3 GLY 7 2HA GLY 7 -11.449 -0.351 -9.701 44 H SER 8 H SER 8 -11.910 -2.395 -11.143 45 HA SER 8 HA SER 8 -14.440 -3.791 -10.809 46 HB2 SER 8 1HB SER 8 -11.669 -4.816 -11.560 47 HB3 SER 8 2HB SER 8 -13.190 -5.718 -11.721 48 HG SER 8 HG SER 8 -12.650 -4.739 -13.690 49 H ALA 9 H ALA 9 -13.901 -6.329 -9.898 50 HA ALA 9 HA ALA 9 -12.816 -5.986 -7.134 51 HB1 ALA 9 3HB ALA 9 -15.488 -6.188 -7.620 52 HB2 ALA 9 1HB ALA 9 -15.059 -7.902 -7.442 53 HB3 ALA 9 2HB ALA 9 -14.682 -6.752 -6.149 54 H SER 10 H SER 10 -11.092 -7.167 -6.833 55 HA SER 10 HA SER 10 -10.896 -9.973 -7.755 56 HB2 SER 10 1HB SER 10 -8.679 -7.943 -8.268 57 HB3 SER 10 2HB SER 10 -8.673 -9.659 -8.696 58 HG SER 10 HG SER 10 -10.505 -9.182 -10.090 59 H LEU 11 H LEU 11 -8.878 -11.010 -6.795 60 HA LEU 11 HA LEU 11 -8.727 -10.562 -3.932 61 HB2 LEU 11 1HB LEU 11 -7.324 -12.411 -5.899 62 HB3 LEU 11 2HB LEU 11 -6.750 -12.274 -4.252 63 HG LEU 11 HG LEU 11 -8.135 -14.220 -4.552 64 HD11 LEU 11 1HD1 LEU 11 -9.546 -12.231 -2.734 65 HD12 LEU 11 2HD1 LEU 11 -8.031 -13.078 -2.344 66 HD13 LEU 11 3HD1 LEU 11 -9.522 -13.999 -2.598 67 HD21 LEU 11 3HD2 LEU 11 -10.508 -12.380 -5.026 68 HD22 LEU 11 1HD2 LEU 11 -10.519 -14.150 -4.913 69 HD23 LEU 11 2HD2 LEU 11 -9.703 -13.364 -6.275 70 H GLN 12 H GLN 12 -5.963 -10.675 -6.171 71 HA GLN 12 HA GLN 12 -4.438 -8.747 -4.553 72 HB2 GLN 12 1HB GLN 12 -3.881 -10.826 -6.539 73 HB3 GLN 12 2HB GLN 12 -3.078 -9.340 -7.008 74 HG2 GLN 12 1HG GLN 12 -1.730 -9.262 -5.117 75 HG3 GLN 12 2HG GLN 12 -2.847 -10.197 -4.120 76 HE21 GLN 12 2HE2 GLN 12 0.200 -10.513 -5.162 77 HE22 GLN 12 1HE2 GLN 12 0.179 -12.250 -5.448 78 H LEU 13 H LEU 13 -3.347 -6.944 -5.562 79 HA LEU 13 HA LEU 13 -5.128 -5.424 -7.401 80 HB2 LEU 13 1HB LEU 13 -3.317 -4.694 -5.113 81 HB3 LEU 13 2HB LEU 13 -3.334 -3.569 -6.455 82 HG LEU 13 HG LEU 13 -5.820 -4.503 -4.951 83 HD11 LEU 13 1HD1 LEU 13 -4.368 -2.985 -3.651 84 HD12 LEU 13 2HD1 LEU 13 -5.867 -2.183 -4.128 85 HD13 LEU 13 3HD1 LEU 13 -4.389 -1.827 -4.998 86 HD21 LEU 13 3HD2 LEU 13 -6.631 -3.903 -7.086 87 HD22 LEU 13 1HD2 LEU 13 -5.329 -2.738 -7.337 88 HD23 LEU 13 2HD2 LEU 13 -6.672 -2.336 -6.255 89 H ALA 14 H ALA 14 -4.035 -3.850 -8.804 90 HA ALA 14 HA ALA 14 -1.581 -4.913 -10.118 91 HB1 ALA 14 3HB ALA 14 -3.574 -5.556 -11.430 92 HB2 ALA 14 1HB ALA 14 -4.120 -3.863 -11.449 93 HB3 ALA 14 2HB ALA 14 -2.625 -4.326 -12.290 94 H VAL 15 H VAL 15 -0.568 -3.245 -11.523 95 HA VAL 15 HA VAL 15 -0.129 -0.758 -10.082 96 HB VAL 15 HB VAL 15 0.793 -1.641 -12.846 97 HG11 VAL 15 1HG1 VAL 15 1.627 0.714 -11.093 98 HG12 VAL 15 2HG1 VAL 15 2.551 0.142 -12.497 99 HG13 VAL 15 3HG1 VAL 15 0.926 0.792 -12.724 100 HG21 VAL 15 3HG2 VAL 15 2.967 -2.018 -11.648 101 HG22 VAL 15 1HG2 VAL 15 2.149 -1.678 -10.108 102 HG23 VAL 15 2HG2 VAL 15 1.689 -3.092 -11.080 103 H GLY 16 H GLY 16 -1.019 1.168 -10.346 104 HA2 GLY 16 1HA GLY 16 -2.092 2.955 -11.417 105 HA3 GLY 16 2HA GLY 16 -2.681 1.890 -12.689 106 H ASP 17 H ASP 17 -3.422 0.271 -9.843 107 HA ASP 17 HA ASP 17 -6.221 1.020 -10.107 108 HB2 ASP 17 1HB ASP 17 -4.854 -1.265 -9.250 109 HB3 ASP 17 2HB ASP 17 -5.546 -0.606 -7.768 110 H ARG 18 H ARG 18 -7.584 1.676 -8.439 111 HA ARG 18 HA ARG 18 -6.477 3.918 -6.834 112 HB2 ARG 18 1HB ARG 18 -9.254 3.033 -7.740 113 HB3 ARG 18 2HB ARG 18 -9.056 4.245 -6.488 114 HG2 ARG 18 1HG ARG 18 -7.695 4.548 -9.182 115 HG3 ARG 18 2HG ARG 18 -9.358 5.088 -8.906 116 HD2 ARG 18 1HD ARG 18 -8.701 6.652 -7.213 117 HD3 ARG 18 2HD ARG 18 -7.066 5.985 -7.118 118 HE ARG 18 HE ARG 18 -7.524 6.920 -9.776 119 HH11 ARG 18 1HH1 ARG 18 -7.075 8.340 -6.581 120 HH12 ARG 18 2HH1 ARG 18 -6.149 9.675 -7.270 121 HH21 ARG 18 1HH2 ARG 18 -6.386 8.780 -10.484 122 HH22 ARG 18 2HH2 ARG 18 -5.770 9.866 -9.241 123 H VAL 19 H VAL 19 -6.395 4.031 -4.709 124 HA VAL 19 HA VAL 19 -7.723 2.001 -2.982 125 HB VAL 19 HB VAL 19 -5.646 1.583 -1.789 126 HG11 VAL 19 1HG1 VAL 19 -5.404 0.844 -4.722 127 HG12 VAL 19 2HG1 VAL 19 -4.618 0.038 -3.368 128 HG13 VAL 19 3HG1 VAL 19 -6.394 0.007 -3.508 129 HG21 VAL 19 3HG2 VAL 19 -3.713 2.653 -2.089 130 HG22 VAL 19 1HG2 VAL 19 -3.666 2.230 -3.814 131 HG23 VAL 19 2HG2 VAL 19 -4.476 3.693 -3.294 132 H VAL 20 H VAL 20 -8.411 2.814 -1.054 133 HA VAL 20 HA VAL 20 -7.616 5.618 -0.363 134 HB VAL 20 HB VAL 20 -10.011 5.124 -0.831 135 HG11 VAL 20 1HG1 VAL 20 -11.376 4.135 0.986 136 HG12 VAL 20 2HG1 VAL 20 -10.222 2.939 0.364 137 HG13 VAL 20 3HG1 VAL 20 -9.925 3.754 1.912 138 HG21 VAL 20 3HG2 VAL 20 -9.646 6.212 1.972 139 HG22 VAL 20 1HG2 VAL 20 -9.185 7.109 0.505 140 HG23 VAL 20 2HG2 VAL 20 -10.865 6.620 0.764 141 H TYR 21 H TYR 21 -7.542 6.119 1.977 142 HA TYR 21 HA TYR 21 -6.471 3.891 3.645 143 HB2 TYR 21 1HB TYR 21 -5.291 6.606 3.068 144 HB3 TYR 21 2HB TYR 21 -5.087 5.905 4.639 145 HD1 TYR 21 HD1 TYR 21 -4.707 4.848 1.025 146 HD2 TYR 21 HD2 TYR 21 -3.153 4.691 5.057 147 HE1 TYR 21 HE1 TYR 21 -2.939 3.266 0.292 148 HE2 TYR 21 HE2 TYR 21 -1.455 3.091 4.341 149 HH TYR 21 HH TYR 21 -1.155 2.027 0.907 150 HA PRO 22 HA PRO 22 -9.292 5.236 6.708 151 HB2 PRO 22 1HB PRO 22 -8.035 4.630 9.075 152 HB3 PRO 22 2HB PRO 22 -8.647 3.404 7.928 153 HG2 PRO 22 1HG PRO 22 -5.808 4.423 8.216 154 HG3 PRO 22 2HG PRO 22 -6.376 2.730 8.073 155 HD2 PRO 22 1HD PRO 22 -5.433 4.131 5.923 156 HD3 PRO 22 2HD PRO 22 -6.776 2.963 5.763 157 H ASN 23 H ASN 23 -5.985 6.468 7.332 158 HA ASN 23 HA ASN 23 -7.052 9.189 7.812 159 HB2 ASN 23 1HB ASN 23 -6.839 7.617 9.962 160 HB3 ASN 23 2HB ASN 23 -5.150 8.087 9.884 161 HD21 ASN 23 2HD2 ASN 23 -7.882 8.808 11.495 162 HD22 ASN 23 1HD2 ASN 23 -7.659 10.545 11.673 163 H GLN 24 H GLN 24 -5.541 8.091 5.660 164 HA GLN 24 HA GLN 24 -2.962 9.639 5.784 165 HB2 GLN 24 1HB GLN 24 -3.361 6.806 5.543 166 HB3 GLN 24 2HB GLN 24 -2.721 7.381 4.008 167 HG2 GLN 24 1HG GLN 24 -0.960 6.605 5.460 168 HG3 GLN 24 2HG GLN 24 -0.792 8.328 5.194 169 HE21 GLN 24 2HE2 GLN 24 -0.276 9.453 7.143 170 HE22 GLN 24 1HE2 GLN 24 -0.810 8.888 8.720 171 H GLY 25 H GLY 25 -5.748 8.818 3.839 172 HA2 GLY 25 1HA GLY 25 -6.589 10.364 2.211 173 HA3 GLY 25 2HA GLY 25 -4.943 10.786 1.745 174 H VAL 26 H VAL 26 -6.693 10.241 -0.230 175 HA VAL 26 HA VAL 26 -6.765 7.482 -1.138 176 HB VAL 26 HB VAL 26 -6.992 10.023 -2.805 177 HG11 VAL 26 1HG1 VAL 26 -6.610 8.095 -4.236 178 HG12 VAL 26 2HG1 VAL 26 -7.786 7.120 -3.326 179 HG13 VAL 26 3HG1 VAL 26 -8.331 8.493 -4.313 180 HG21 VAL 26 3HG2 VAL 26 -8.718 10.024 -1.049 181 HG22 VAL 26 1HG2 VAL 26 -9.439 9.678 -2.619 182 HG23 VAL 26 2HG2 VAL 26 -9.167 8.353 -1.469 183 H CYS 27 H CYS 27 -5.302 6.331 -2.278 184 HA CYS 27 HA CYS 27 -2.810 7.613 -3.318 185 HB2 CYS 27 1HB CYS 27 -3.102 4.921 -1.911 186 HB3 CYS 27 2HB CYS 27 -1.598 5.580 -2.574 187 HG CYS 27 HG CYS 27 -1.491 7.686 -1.040 188 H ARG 28 H ARG 28 -1.663 5.861 -4.785 189 HA ARG 28 HA ARG 28 -3.554 4.301 -6.469 190 HB2 ARG 28 1HB ARG 28 -3.050 6.798 -7.285 191 HB3 ARG 28 2HB ARG 28 -1.526 6.093 -7.807 192 HG2 ARG 28 1HG ARG 28 -3.339 4.243 -8.812 193 HG3 ARG 28 2HG ARG 28 -4.316 5.719 -8.808 194 HD2 ARG 28 1HD ARG 28 -2.114 6.747 -9.936 195 HD3 ARG 28 2HD ARG 28 -1.788 5.044 -10.302 196 HE ARG 28 HE ARG 28 -4.471 6.075 -11.019 197 HH11 ARG 28 1HH1 ARG 28 -1.303 5.335 -12.305 198 HH12 ARG 28 2HH1 ARG 28 -1.844 5.499 -13.952 199 HH21 ARG 28 1HH2 ARG 28 -5.064 6.376 -13.116 200 HH22 ARG 28 2HH2 ARG 28 -3.916 6.099 -14.388 201 H VAL 29 H VAL 29 -2.706 2.318 -6.753 202 HA VAL 29 HA VAL 29 -0.155 1.519 -5.701 203 HB VAL 29 HB VAL 29 -1.804 0.027 -7.770 204 HG11 VAL 29 1HG1 VAL 29 0.310 -0.912 -5.766 205 HG12 VAL 29 2HG1 VAL 29 -0.708 -1.971 -6.768 206 HG13 VAL 29 3HG1 VAL 29 0.465 -0.917 -7.541 207 HG21 VAL 29 3HG2 VAL 29 -2.412 -1.215 -5.505 208 HG22 VAL 29 1HG2 VAL 29 -2.052 0.356 -4.793 209 HG23 VAL 29 2HG2 VAL 29 -3.314 0.219 -6.036 210 H SER 30 H SER 30 1.861 1.661 -6.506 211 HA SER 30 HA SER 30 2.274 2.355 -9.397 212 HB2 SER 30 1HB SER 30 4.092 2.921 -7.034 213 HB3 SER 30 2HB SER 30 4.304 3.465 -8.704 214 HG SER 30 HG SER 30 2.156 4.512 -8.388 215 H ALA 31 H ALA 31 3.485 0.272 -6.775 216 HA ALA 31 HA ALA 31 4.423 -1.716 -8.700 217 HB1 ALA 31 3HB ALA 31 6.330 -0.072 -7.004 218 HB2 ALA 31 1HB ALA 31 6.704 -1.767 -7.364 219 HB3 ALA 31 2HB ALA 31 6.489 -0.610 -8.687 220 H ILE 32 H ILE 32 4.959 -3.749 -7.635 221 HA ILE 32 HA ILE 32 4.109 -4.088 -4.821 222 HB ILE 32 HB ILE 32 2.862 -5.756 -7.050 223 HG12 ILE 32 1HG1 ILE 32 1.523 -3.559 -5.413 224 HG13 ILE 32 2HG1 ILE 32 1.904 -3.446 -7.110 225 HG21 ILE 32 1HG2 ILE 32 2.475 -5.629 -4.016 226 HG22 ILE 32 2HG2 ILE 32 1.474 -6.609 -5.103 227 HG23 ILE 32 3HG2 ILE 32 3.186 -6.962 -4.944 228 HD11 ILE 32 3HD1 ILE 32 0.329 -5.818 -6.846 229 HD12 ILE 32 1HD1 ILE 32 -0.466 -4.501 -5.952 230 HD13 ILE 32 2HD1 ILE 32 -0.047 -4.300 -7.664 231 H ASP 33 H ASP 33 5.710 -5.237 -3.865 232 HA ASP 33 HA ASP 33 6.828 -7.582 -5.242 233 HB2 ASP 33 1HB ASP 33 8.238 -5.174 -5.400 234 HB3 ASP 33 2HB ASP 33 8.955 -5.933 -3.986 235 H VAL 34 H VAL 34 8.433 -8.738 -3.677 236 HA VAL 34 HA VAL 34 7.336 -8.583 -0.885 237 HB VAL 34 HB VAL 34 7.661 -10.885 -0.545 238 HG11 VAL 34 1HG1 VAL 34 6.282 -11.326 -3.106 239 HG12 VAL 34 2HG1 VAL 34 5.705 -11.483 -1.437 240 HG13 VAL 34 3HG1 VAL 34 5.686 -9.911 -2.262 241 HG21 VAL 34 3HG2 VAL 34 8.722 -11.122 -3.381 242 HG22 VAL 34 1HG2 VAL 34 9.618 -11.423 -1.874 243 HG23 VAL 34 2HG2 VAL 34 8.286 -12.487 -2.328 244 H LYS 35 H LYS 35 8.691 -8.623 0.852 245 HA LYS 35 HA LYS 35 11.536 -9.144 0.565 246 HB2 LYS 35 1HB LYS 35 12.343 -6.972 1.297 247 HB3 LYS 35 2HB LYS 35 11.529 -6.814 -0.242 248 HG2 LYS 35 1HG LYS 35 9.664 -5.713 0.687 249 HG3 LYS 35 2HG LYS 35 10.023 -6.228 2.334 250 HD2 LYS 35 1HD LYS 35 11.818 -4.300 0.793 251 HD3 LYS 35 2HD LYS 35 10.461 -3.806 1.803 252 HE2 LYS 35 1HE LYS 35 11.890 -3.723 3.510 253 HE3 LYS 35 2HE LYS 35 11.715 -5.474 3.557 254 HZ1 LYS 35 3HZ LYS 35 13.735 -5.587 2.114 255 HZ2 LYS 35 1HZ LYS 35 14.033 -4.888 3.552 256 HZ3 LYS 35 2HZ LYS 35 13.894 -3.961 2.213 257 H GLU 36 H GLU 36 12.690 -8.728 2.641 258 HA GLU 36 HA GLU 36 11.017 -9.456 5.013 259 HB2 GLU 36 1HB GLU 36 13.479 -10.536 3.980 260 HB3 GLU 36 2HB GLU 36 13.885 -9.658 5.442 261 HG2 GLU 36 1HG GLU 36 11.625 -11.076 6.241 262 HG3 GLU 36 2HG GLU 36 12.381 -12.154 5.060 263 H VAL 37 H VAL 37 10.515 -7.814 6.303 264 HA VAL 37 HA VAL 37 12.669 -5.826 6.950 265 HB VAL 37 HB VAL 37 10.973 -4.812 5.454 266 HG11 VAL 37 1HG1 VAL 37 8.751 -4.309 6.186 267 HG12 VAL 37 2HG1 VAL 37 8.997 -6.062 6.340 268 HG13 VAL 37 3HG1 VAL 37 9.030 -5.035 7.783 269 HG21 VAL 37 3HG2 VAL 37 10.895 -3.554 8.216 270 HG22 VAL 37 1HG2 VAL 37 12.315 -3.499 7.145 271 HG23 VAL 37 2HG2 VAL 37 10.791 -2.757 6.634 272 H ALA 38 H ALA 38 12.949 -5.361 9.070 273 HA ALA 38 HA ALA 38 13.087 -5.897 11.277 274 HB1 ALA 38 3HB ALA 38 11.098 -5.318 12.532 275 HB2 ALA 38 1HB ALA 38 11.214 -4.262 11.113 276 HB3 ALA 38 2HB ALA 38 10.064 -5.616 11.119 277 H GLY 39 H GLY 39 12.977 -8.282 9.587 278 HA2 GLY 39 1HA GLY 39 13.188 -10.554 10.036 279 HA3 GLY 39 2HA GLY 39 12.456 -10.333 11.620 280 H GLN 40 H GLN 40 10.711 -9.173 8.757 281 HA GLN 40 HA GLN 40 8.858 -11.506 8.858 282 HB2 GLN 40 1HB GLN 40 8.071 -9.785 10.398 283 HB3 GLN 40 2HB GLN 40 8.115 -8.564 9.124 284 HG2 GLN 40 1HG GLN 40 6.185 -9.257 8.191 285 HG3 GLN 40 2HG GLN 40 6.531 -10.972 8.405 286 HE21 GLN 40 2HE2 GLN 40 4.700 -11.772 9.389 287 HE22 GLN 40 1HE2 GLN 40 4.045 -11.121 10.878 288 H LYS 41 H LYS 41 8.751 -12.344 6.919 289 HA LYS 41 HA LYS 41 9.299 -10.734 4.500 290 HB2 LYS 41 1HB LYS 41 10.438 -13.034 5.122 291 HB3 LYS 41 2HB LYS 41 8.967 -13.738 4.482 292 HG2 LYS 41 1HG LYS 41 9.268 -12.508 2.354 293 HG3 LYS 41 2HG LYS 41 10.736 -11.744 2.975 294 HD2 LYS 41 1HD LYS 41 12.020 -13.639 2.763 295 HD3 LYS 41 2HD LYS 41 10.661 -14.744 3.049 296 HE2 LYS 41 1HE LYS 41 9.733 -14.256 0.835 297 HE3 LYS 41 2HE LYS 41 11.034 -13.107 0.500 298 HZ1 LYS 41 3HZ LYS 41 12.612 -14.912 0.542 299 HZ2 LYS 41 1HZ LYS 41 11.399 -15.372 -0.446 300 HZ3 LYS 41 2HZ LYS 41 11.497 -15.991 1.059 301 H LEU 42 H LEU 42 7.659 -9.904 3.375 302 HA LEU 42 HA LEU 42 5.374 -11.532 2.623 303 HB2 LEU 42 1HB LEU 42 3.652 -10.557 3.836 304 HB3 LEU 42 2HB LEU 42 4.894 -10.732 5.026 305 HG LEU 42 HG LEU 42 5.386 -8.170 3.993 306 HD11 LEU 42 1HD1 LEU 42 2.430 -8.279 4.575 307 HD12 LEU 42 2HD1 LEU 42 2.992 -8.622 2.940 308 HD13 LEU 42 3HD1 LEU 42 3.425 -7.083 3.661 309 HD21 LEU 42 3HD2 LEU 42 4.352 -7.381 6.142 310 HD22 LEU 42 1HD2 LEU 42 5.582 -8.635 6.281 311 HD23 LEU 42 2HD2 LEU 42 3.855 -9.060 6.459 312 H THR 43 H THR 43 3.733 -10.152 1.318 313 HA THR 43 HA THR 43 5.135 -8.604 -0.695 314 HB THR 43 HB THR 43 2.119 -8.794 -0.319 315 HG1 THR 43 HG1 THR 43 3.731 -10.646 -1.719 316 HG21 THR 43 3HG2 THR 43 3.956 -8.289 -2.686 317 HG22 THR 43 1HG2 THR 43 2.557 -7.348 -2.124 318 HG23 THR 43 2HG2 THR 43 2.312 -8.916 -2.908 319 H PHE 44 H PHE 44 5.683 -6.485 -0.514 320 HA PHE 44 HA PHE 44 3.949 -4.681 1.143 321 HB2 PHE 44 1HB PHE 44 6.905 -4.446 0.535 322 HB3 PHE 44 2HB PHE 44 5.902 -3.203 1.270 323 HD1 PHE 44 HD2 PHE 44 4.956 -3.470 3.562 324 HD2 PHE 44 HD1 PHE 44 7.632 -6.380 1.837 325 HE1 PHE 44 HE2 PHE 44 5.308 -4.514 5.828 326 HE2 PHE 44 HE1 PHE 44 8.002 -7.362 4.088 327 HZ PHE 44 HZ PHE 44 6.768 -6.485 6.041 328 H VAL 45 H VAL 45 2.668 -3.506 -0.039 329 HA VAL 45 HA VAL 45 3.089 -3.088 -2.922 330 HB VAL 45 HB VAL 45 1.077 -1.637 -2.757 331 HG11 VAL 45 1HG1 VAL 45 0.946 -3.998 -3.379 332 HG12 VAL 45 2HG1 VAL 45 0.896 -4.482 -1.687 333 HG13 VAL 45 3HG1 VAL 45 -0.454 -3.574 -2.411 334 HG21 VAL 45 3HG2 VAL 45 0.538 -2.754 0.002 335 HG22 VAL 45 1HG2 VAL 45 1.457 -1.242 -0.156 336 HG23 VAL 45 2HG2 VAL 45 -0.153 -1.334 -0.811 337 H THR 46 H THR 46 3.487 -1.067 -3.908 338 HA THR 46 HA THR 46 4.499 1.151 -2.181 339 HB THR 46 HB THR 46 5.667 0.344 -4.860 340 HG1 THR 46 HG1 THR 46 6.171 -1.163 -3.244 341 HG21 THR 46 3HG2 THR 46 7.445 1.920 -3.216 342 HG22 THR 46 1HG2 THR 46 5.907 2.774 -3.317 343 HG23 THR 46 2HG2 THR 46 6.757 2.307 -4.800 344 H MET 47 H MET 47 3.517 3.012 -2.539 345 HA MET 47 HA MET 47 2.395 3.707 -5.178 346 HB2 MET 47 1HB MET 47 0.327 4.558 -3.812 347 HB3 MET 47 2HB MET 47 0.404 2.904 -4.363 348 HG2 MET 47 1HG MET 47 1.305 3.531 -1.604 349 HG3 MET 47 2HG MET 47 -0.415 3.455 -2.002 350 HE1 MET 47 3HE MET 47 -1.368 -0.023 -2.505 351 HE2 MET 47 1HE MET 47 -1.718 1.315 -1.379 352 HE3 MET 47 2HE MET 47 -1.543 1.639 -3.113 353 H ARG 48 H ARG 48 1.695 5.965 -5.211 354 HA ARG 48 HA ARG 48 2.793 7.749 -3.131 355 HB2 ARG 48 1HB ARG 48 4.010 9.149 -4.775 356 HB3 ARG 48 2HB ARG 48 4.732 7.587 -4.465 357 HG2 ARG 48 1HG ARG 48 2.947 7.421 -6.804 358 HG3 ARG 48 2HG ARG 48 4.076 8.760 -6.963 359 HD2 ARG 48 1HD ARG 48 5.929 7.053 -6.292 360 HD3 ARG 48 2HD ARG 48 4.707 5.815 -6.554 361 HE ARG 48 HE ARG 48 4.878 6.138 -8.857 362 HH11 ARG 48 1HH1 ARG 48 6.514 8.821 -7.319 363 HH12 ARG 48 2HH1 ARG 48 7.153 9.428 -8.820 364 HH21 ARG 48 1HH2 ARG 48 5.756 6.945 -10.752 365 HH22 ARG 48 2HH2 ARG 48 6.734 8.381 -10.703 366 H ARG 49 H ARG 49 1.843 9.633 -2.961 367 HA ARG 49 HA ARG 49 -0.842 9.970 -4.176 368 HB2 ARG 49 1HB ARG 49 0.745 11.264 -1.957 369 HB3 ARG 49 2HB ARG 49 -0.673 12.099 -2.614 370 HG2 ARG 49 1HG ARG 49 -2.165 10.475 -1.982 371 HG3 ARG 49 2HG ARG 49 -0.954 9.199 -1.834 372 HD2 ARG 49 1HD ARG 49 -1.265 11.560 0.064 373 HD3 ARG 49 2HD ARG 49 -1.890 9.926 0.341 374 HE ARG 49 HE ARG 49 0.895 9.710 -0.190 375 HH11 ARG 49 1HH1 ARG 49 -1.179 10.835 2.416 376 HH12 ARG 49 2HH1 ARG 49 0.133 10.826 3.556 377 HH21 ARG 49 1HH2 ARG 49 2.424 9.421 1.423 378 HH22 ARG 49 2HH2 ARG 49 2.065 9.963 3.026 379 H GLU 50 H GLU 50 -1.260 11.063 -5.904 380 HA GLU 50 HA GLU 50 0.644 12.546 -7.424 381 HB2 GLU 50 1HB GLU 50 -1.206 13.071 -8.897 382 HB3 GLU 50 2HB GLU 50 -1.224 11.378 -8.412 383 HG2 GLU 50 1HG GLU 50 -2.980 12.145 -6.610 384 HG3 GLU 50 2HG GLU 50 -3.126 13.592 -7.602 385 H GLU 51 H GLU 51 -1.895 13.719 -5.204 386 HA GLU 51 HA GLU 51 -1.147 16.542 -5.644 387 HB2 GLU 51 1HB GLU 51 -3.510 15.689 -5.242 388 HB3 GLU 51 2HB GLU 51 -3.035 15.362 -3.577 389 HG2 GLU 51 1HG GLU 51 -2.222 18.032 -3.972 390 HG3 GLU 51 2HG GLU 51 -3.677 17.918 -4.939 391 H ASP 52 H ASP 52 -0.962 14.228 -2.891 392 HA ASP 52 HA ASP 52 0.311 16.095 -1.115 393 HB2 ASP 52 1HB ASP 52 -1.004 13.804 -0.696 394 HB3 ASP 52 2HB ASP 52 0.626 13.133 -0.730 395 H GLY 53 H GLY 53 1.613 14.065 -3.611 396 HA2 GLY 53 1HA GLY 53 3.697 13.801 -4.498 397 HA3 GLY 53 2HA GLY 53 4.250 15.158 -3.519 398 H ALA 54 H ALA 54 2.913 12.577 -1.716 399 HA ALA 54 HA ALA 54 5.603 11.923 -0.623 400 HB1 ALA 54 3HB ALA 54 4.305 11.470 1.457 401 HB2 ALA 54 1HB ALA 54 4.090 13.126 0.856 402 HB3 ALA 54 2HB ALA 54 2.815 11.921 0.593 403 H VAL 55 H VAL 55 6.217 9.901 -0.098 404 HA VAL 55 HA VAL 55 5.223 7.679 -1.672 405 HB VAL 55 HB VAL 55 6.963 6.372 -0.681 406 HG11 VAL 55 1HG1 VAL 55 8.369 9.020 -0.928 407 HG12 VAL 55 2HG1 VAL 55 8.762 7.437 -1.628 408 HG13 VAL 55 3HG1 VAL 55 7.453 8.409 -2.319 409 HG21 VAL 55 3HG2 VAL 55 8.527 7.309 1.050 410 HG22 VAL 55 1HG2 VAL 55 7.367 8.621 1.338 411 HG23 VAL 55 2HG2 VAL 55 6.917 6.938 1.671 412 H VAL 56 H VAL 56 4.305 5.731 -1.000 413 HA VAL 56 HA VAL 56 3.331 5.433 1.784 414 HB VAL 56 HB VAL 56 1.543 5.392 -0.690 415 HG11 VAL 56 1HG1 VAL 56 1.150 4.380 2.142 416 HG12 VAL 56 2HG1 VAL 56 -0.225 5.051 1.256 417 HG13 VAL 56 3HG1 VAL 56 0.645 3.665 0.598 418 HG21 VAL 56 3HG2 VAL 56 1.545 7.170 1.755 419 HG22 VAL 56 1HG2 VAL 56 1.880 7.644 0.060 420 HG23 VAL 56 2HG2 VAL 56 0.269 7.130 0.526 421 H MET 57 H MET 57 3.811 3.427 2.443 422 HA MET 57 HA MET 57 3.706 1.170 0.536 423 HB2 MET 57 1HB MET 57 6.116 1.636 2.344 424 HB3 MET 57 2HB MET 57 5.848 0.262 1.264 425 HG2 MET 57 1HG MET 57 5.948 1.790 -0.688 426 HG3 MET 57 2HG MET 57 6.206 3.153 0.405 427 HE1 MET 57 3HE MET 57 7.768 3.829 -1.115 428 HE2 MET 57 1HE MET 57 9.263 3.947 -0.163 429 HE3 MET 57 2HE MET 57 9.230 2.974 -1.649 430 H VAL 58 H VAL 58 2.509 -0.391 1.407 431 HA VAL 58 HA VAL 58 2.602 -0.843 4.333 432 HB VAL 58 HB VAL 58 0.178 -1.251 4.474 433 HG11 VAL 58 1HG1 VAL 58 -0.551 1.040 4.535 434 HG12 VAL 58 2HG1 VAL 58 1.090 0.895 5.184 435 HG13 VAL 58 3HG1 VAL 58 0.832 1.556 3.553 436 HG21 VAL 58 3HG2 VAL 58 -1.347 -0.415 2.752 437 HG22 VAL 58 1HG2 VAL 58 0.028 -0.171 1.657 438 HG23 VAL 58 2HG2 VAL 58 -0.393 -1.808 2.220 439 HA PRO 59 HA PRO 59 2.833 -5.078 3.225 440 HB2 PRO 59 1HB PRO 59 1.855 -6.297 5.455 441 HB3 PRO 59 2HB PRO 59 3.410 -5.464 5.427 442 HG2 PRO 59 1HG PRO 59 0.762 -4.372 6.389 443 HG3 PRO 59 2HG PRO 59 2.357 -4.315 7.224 444 HD2 PRO 59 1HD PRO 59 1.471 -2.223 5.818 445 HD3 PRO 59 2HD PRO 59 3.181 -2.710 5.705 446 H GLU 60 H GLU 60 1.554 -6.029 1.698 447 HA GLU 60 HA GLU 60 -1.313 -5.868 1.615 448 HB2 GLU 60 1HB GLU 60 0.815 -6.846 -0.079 449 HB3 GLU 60 2HB GLU 60 -0.393 -8.119 0.050 450 HG2 GLU 60 1HG GLU 60 -0.947 -5.227 -0.672 451 HG3 GLU 60 2HG GLU 60 -0.730 -6.516 -1.850 452 H GLY 61 H GLY 61 0.800 -8.415 2.872 453 HA2 GLY 61 1HA GLY 61 -1.529 -10.138 3.607 454 HA3 GLY 61 2HA GLY 61 0.182 -10.553 3.770 455 H LYS 62 H LYS 62 -0.347 -7.484 4.997 456 HA LYS 62 HA LYS 62 -1.007 -8.397 7.772 457 HB2 LYS 62 1HB LYS 62 1.581 -8.058 7.000 458 HB3 LYS 62 2HB LYS 62 1.156 -6.405 7.468 459 HG2 LYS 62 1HG LYS 62 0.613 -7.092 9.702 460 HG3 LYS 62 2HG LYS 62 1.001 -8.784 9.300 461 HD2 LYS 62 1HD LYS 62 3.309 -8.347 9.077 462 HD3 LYS 62 2HD LYS 62 3.084 -6.654 8.659 463 HE2 LYS 62 1HE LYS 62 4.034 -6.707 10.851 464 HE3 LYS 62 2HE LYS 62 2.362 -6.150 10.982 465 HZ1 LYS 62 3HZ LYS 62 3.454 -8.802 11.702 466 HZ2 LYS 62 1HZ LYS 62 1.828 -8.546 11.590 467 HZ3 LYS 62 2HZ LYS 62 2.719 -7.737 12.695 468 H VAL 63 H VAL 63 -1.853 -6.278 5.342 469 HA VAL 63 HA VAL 63 -2.411 -3.829 6.461 470 HB VAL 63 HB VAL 63 -4.552 -3.861 5.180 471 HG11 VAL 63 1HG1 VAL 63 -2.283 -3.113 4.254 472 HG12 VAL 63 2HG1 VAL 63 -2.348 -4.598 3.289 473 HG13 VAL 63 3HG1 VAL 63 -3.630 -3.402 3.130 474 HG21 VAL 63 3HG2 VAL 63 -4.532 -6.569 5.171 475 HG22 VAL 63 1HG2 VAL 63 -5.403 -5.558 4.010 476 HG23 VAL 63 2HG2 VAL 63 -3.829 -6.244 3.589 477 H LEU 64 H LEU 64 -4.008 -6.818 7.242 478 HA LEU 64 HA LEU 64 -6.307 -5.929 8.601 479 HB2 LEU 64 1HB LEU 64 -4.620 -8.326 9.403 480 HB3 LEU 64 2HB LEU 64 -6.353 -8.108 9.590 481 HG LEU 64 HG LEU 64 -4.816 -8.681 7.003 482 HD11 LEU 64 1HD1 LEU 64 -6.151 -10.718 7.014 483 HD12 LEU 64 2HD1 LEU 64 -7.029 -10.187 8.466 484 HD13 LEU 64 3HD1 LEU 64 -5.296 -10.570 8.559 485 HD21 LEU 64 3HD2 LEU 64 -6.592 -7.144 6.353 486 HD22 LEU 64 1HD2 LEU 64 -7.769 -7.983 7.385 487 HD23 LEU 64 2HD2 LEU 64 -7.108 -8.783 5.940 488 H ALA 65 H ALA 65 -2.954 -5.918 9.657 489 HA ALA 65 HA ALA 65 -3.457 -5.435 12.484 490 HB1 ALA 65 3HB ALA 65 -0.916 -5.036 10.837 491 HB2 ALA 65 1HB ALA 65 -1.045 -5.189 12.598 492 HB3 ALA 65 2HB ALA 65 -1.421 -6.579 11.562 493 H ILE 66 H ILE 66 -2.367 -3.388 9.739 494 HA ILE 66 HA ILE 66 -2.353 -0.914 11.267 495 HB ILE 66 HB ILE 66 -2.442 -1.272 8.239 496 HG12 ILE 66 1HG1 ILE 66 0.157 -0.526 8.839 497 HG13 ILE 66 2HG1 ILE 66 -0.202 -1.539 10.227 498 HG21 ILE 66 1HG2 ILE 66 -2.976 1.056 8.997 499 HG22 ILE 66 2HG2 ILE 66 -1.489 1.080 9.953 500 HG23 ILE 66 3HG2 ILE 66 -1.418 0.983 8.182 501 HD11 ILE 66 3HD1 ILE 66 -0.801 -3.394 8.652 502 HD12 ILE 66 1HD1 ILE 66 -0.452 -2.313 7.283 503 HD13 ILE 66 2HD1 ILE 66 0.845 -2.789 8.404 504 H GLY 67 H GLY 67 -4.780 -2.569 9.318 505 HA2 GLY 67 1HA GLY 67 -7.122 -2.304 9.439 506 HA3 GLY 67 2HA GLY 67 -6.937 -0.725 10.200 507 H VAL 68 H VAL 68 -4.863 -0.914 7.543 508 HA VAL 68 HA VAL 68 -6.449 0.943 5.949 509 HB VAL 68 HB VAL 68 -4.579 0.911 4.357 510 HG11 VAL 68 1HG1 VAL 68 -4.206 1.564 7.240 511 HG12 VAL 68 2HG1 VAL 68 -2.739 1.543 6.236 512 HG13 VAL 68 3HG1 VAL 68 -4.088 2.555 5.790 513 HG21 VAL 68 3HG2 VAL 68 -2.432 -0.258 4.995 514 HG22 VAL 68 1HG2 VAL 68 -3.384 -1.263 6.106 515 HG23 VAL 68 2HG2 VAL 68 -3.712 -1.267 4.358 516 H ARG 69 H ARG 69 -7.887 0.468 4.372 517 HA ARG 69 HA ARG 69 -7.790 -2.299 3.184 518 HB2 ARG 69 1HB ARG 69 -10.103 -0.547 3.967 519 HB3 ARG 69 2HB ARG 69 -10.286 -1.528 2.524 520 HG2 ARG 69 1HG ARG 69 -9.356 -2.673 5.180 521 HG3 ARG 69 2HG ARG 69 -11.051 -2.614 4.707 522 HD2 ARG 69 1HD ARG 69 -9.180 -3.877 2.715 523 HD3 ARG 69 2HD ARG 69 -9.396 -4.726 4.248 524 HE ARG 69 HE ARG 69 -11.942 -3.956 3.090 525 HH11 ARG 69 1HH1 ARG 69 -9.474 -6.424 2.818 526 HH12 ARG 69 2HH1 ARG 69 -10.615 -7.638 2.313 527 HH21 ARG 69 1HH2 ARG 69 -13.347 -5.553 2.451 528 HH22 ARG 69 2HH2 ARG 69 -12.743 -7.144 2.105 529 H LYS 70 H LYS 70 -6.717 -2.258 1.494 530 HA LYS 70 HA LYS 70 -7.253 -0.277 -0.703 531 HB2 LYS 70 1HB LYS 70 -4.799 -0.534 -1.222 532 HB3 LYS 70 2HB LYS 70 -5.156 0.402 0.218 533 HG2 LYS 70 1HG LYS 70 -4.155 -1.052 1.641 534 HG3 LYS 70 2HG LYS 70 -4.600 -2.489 0.751 535 HD2 LYS 70 1HD LYS 70 -2.376 -0.553 0.025 536 HD3 LYS 70 2HD LYS 70 -2.189 -2.161 0.724 537 HE2 LYS 70 1HE LYS 70 -3.265 -1.540 -2.062 538 HE3 LYS 70 2HE LYS 70 -1.685 -2.189 -1.672 539 HZ1 LYS 70 3HZ LYS 70 -4.287 -3.554 -1.289 540 HZ2 LYS 70 1HZ LYS 70 -2.950 -4.148 -0.632 541 HZ3 LYS 70 2HZ LYS 70 -3.061 -4.027 -2.263 542 H VAL 71 H VAL 71 -8.386 -1.462 -2.117 543 HA VAL 71 HA VAL 71 -7.160 -3.835 -3.352 544 HB VAL 71 HB VAL 71 -9.993 -4.212 -2.351 545 HG11 VAL 71 1HG1 VAL 71 -9.502 -5.725 -4.143 546 HG12 VAL 71 2HG1 VAL 71 -7.858 -6.037 -3.530 547 HG13 VAL 71 3HG1 VAL 71 -9.278 -6.670 -2.693 548 HG21 VAL 71 3HG2 VAL 71 -7.512 -5.351 -0.997 549 HG22 VAL 71 1HG2 VAL 71 -8.606 -4.139 -0.285 550 HG23 VAL 71 2HG2 VAL 71 -9.199 -5.754 -0.622 551 H ALA 72 H ALA 72 -8.562 -4.451 -5.364 552 HA ALA 72 HA ALA 72 -9.103 -2.232 -6.972 553 HB1 ALA 72 3HB ALA 72 -8.705 -4.576 -7.746 554 HB2 ALA 72 1HB ALA 72 -10.334 -5.012 -7.191 555 HB3 ALA 72 2HB ALA 72 -10.115 -3.830 -8.501 556 H SER 73 H SER 73 -11.320 -3.930 -4.828 557 HA SER 73 HA SER 73 -13.566 -2.060 -5.428 558 HB2 SER 73 1HB SER 73 -13.693 -4.673 -5.368 559 HB3 SER 73 2HB SER 73 -13.724 -4.465 -3.610 560 HG SER 73 HG SER 73 -15.829 -4.516 -4.585 561 H ALA 74 H ALA 74 -11.122 -2.466 -3.032 562 HA ALA 74 HA ALA 74 -12.721 -1.351 -0.788 563 HB1 ALA 74 3HB ALA 74 -11.153 -3.329 -0.493 564 HB2 ALA 74 1HB ALA 74 -9.839 -2.122 -0.576 565 HB3 ALA 74 2HB ALA 74 -11.102 -1.989 0.645 566 H GLU 75 H GLU 75 -13.157 0.606 -1.523 567 HA GLU 75 HA GLU 75 -11.018 2.639 -1.822 568 HB2 GLU 75 1HB GLU 75 -12.081 3.454 -3.815 569 HB3 GLU 75 2HB GLU 75 -11.775 1.737 -3.995 570 HG2 GLU 75 1HG GLU 75 -14.342 1.643 -3.036 571 HG3 GLU 75 2HG GLU 75 -14.366 3.265 -3.700 Start of MODEL 7 1 H1 ALA 1 1H ALA 1 -16.486 16.843 -11.650 2 H2 ALA 1 2H ALA 1 -16.070 18.218 -10.870 3 H3 ALA 1 3H ALA 1 -15.559 17.965 -12.407 4 HA ALA 1 HA ALA 1 -14.181 16.153 -11.764 5 HB1 ALA 1 3HB ALA 1 -12.467 17.378 -10.537 6 HB2 ALA 1 1HB ALA 1 -13.246 18.476 -11.677 7 HB3 ALA 1 2HB ALA 1 -13.663 18.555 -9.950 8 H GLY 2 H GLY 2 -12.886 15.763 -9.325 9 HA2 GLY 2 1HA GLY 2 -13.150 14.883 -7.155 10 HA3 GLY 2 2HA GLY 2 -14.899 14.953 -7.309 11 H HIS 3 H HIS 3 -12.510 13.357 -9.436 12 HA HIS 3 HA HIS 3 -13.933 10.860 -9.656 13 HB2 HIS 3 1HB HIS 3 -10.986 11.459 -10.180 14 HB3 HIS 3 2HB HIS 3 -11.873 10.050 -10.745 15 HD1 HIS 3 HD1 HIS 3 -10.965 13.488 -11.836 16 HD2 HIS 3 HD2 HIS 3 -13.976 10.605 -12.558 17 HE1 HIS 3 HE1 HIS 3 -12.108 14.162 -14.043 18 HE2 HIS 3 HE2 HIS 3 -13.933 12.400 -14.485 19 H MET 4 H MET 4 -14.341 9.679 -7.855 20 HA MET 4 HA MET 4 -12.470 9.406 -5.643 21 HB2 MET 4 1HB MET 4 -15.251 8.446 -6.280 22 HB3 MET 4 2HB MET 4 -14.322 7.431 -5.202 23 HG2 MET 4 1HG MET 4 -15.224 8.743 -3.642 24 HG3 MET 4 2HG MET 4 -13.787 9.700 -3.933 25 HE1 MET 4 3HE MET 4 -16.665 10.785 -2.515 26 HE2 MET 4 1HE MET 4 -17.906 11.194 -3.722 27 HE3 MET 4 2HE MET 4 -17.395 9.507 -3.513 28 HA PRO 5 HA PRO 5 -10.340 5.650 -6.707 29 HB2 PRO 5 1HB PRO 5 -10.121 4.325 -4.288 30 HB3 PRO 5 2HB PRO 5 -9.190 5.772 -4.748 31 HG2 PRO 5 1HG PRO 5 -11.714 5.616 -3.089 32 HG3 PRO 5 2HG PRO 5 -10.233 6.569 -2.763 33 HD2 PRO 5 1HD PRO 5 -12.443 7.666 -3.861 34 HD3 PRO 5 2HD PRO 5 -10.805 8.191 -4.342 35 H GLU 6 H GLU 6 -11.686 4.608 -8.111 36 HA GLU 6 HA GLU 6 -13.137 2.228 -7.107 37 HB2 GLU 6 1HB GLU 6 -14.358 4.642 -8.269 38 HB3 GLU 6 2HB GLU 6 -14.705 3.241 -9.260 39 HG2 GLU 6 1HG GLU 6 -15.103 3.145 -6.245 40 HG3 GLU 6 2HG GLU 6 -16.298 3.883 -7.304 41 H GLY 7 H GLY 7 -13.616 0.670 -8.856 42 HA2 GLY 7 1HA GLY 7 -12.500 0.579 -11.428 43 HA3 GLY 7 2HA GLY 7 -11.151 0.210 -10.358 44 H SER 8 H SER 8 -14.364 -0.884 -11.394 45 HA SER 8 HA SER 8 -14.163 -3.525 -10.159 46 HB2 SER 8 1HB SER 8 -16.285 -3.916 -11.470 47 HB3 SER 8 2HB SER 8 -16.323 -2.621 -10.268 48 HG SER 8 HG SER 8 -15.940 -2.281 -13.075 49 H ALA 9 H ALA 9 -12.492 -4.717 -10.956 50 HA ALA 9 HA ALA 9 -12.914 -5.969 -13.571 51 HB1 ALA 9 3HB ALA 9 -10.353 -4.405 -13.015 52 HB2 ALA 9 1HB ALA 9 -10.546 -5.605 -14.316 53 HB3 ALA 9 2HB ALA 9 -11.530 -4.133 -14.317 54 H SER 10 H SER 10 -9.943 -5.886 -11.609 55 HA SER 10 HA SER 10 -9.889 -8.788 -11.268 56 HB2 SER 10 1HB SER 10 -7.700 -8.230 -10.138 57 HB3 SER 10 2HB SER 10 -7.842 -7.669 -11.810 58 HG SER 10 HG SER 10 -6.996 -6.062 -10.367 59 H LEU 11 H LEU 11 -9.127 -9.567 -9.050 60 HA LEU 11 HA LEU 11 -11.112 -8.715 -6.992 61 HB2 LEU 11 1HB LEU 11 -9.388 -11.221 -7.050 62 HB3 LEU 11 2HB LEU 11 -10.710 -10.851 -5.949 63 HG LEU 11 HG LEU 11 -10.910 -11.420 -8.937 64 HD11 LEU 11 1HD1 LEU 11 -10.518 -13.372 -7.470 65 HD12 LEU 11 2HD1 LEU 11 -12.130 -13.411 -8.202 66 HD13 LEU 11 3HD1 LEU 11 -11.941 -12.928 -6.501 67 HD21 LEU 11 3HD2 LEU 11 -13.123 -10.705 -6.963 68 HD22 LEU 11 1HD2 LEU 11 -13.379 -11.369 -8.594 69 HD23 LEU 11 2HD2 LEU 11 -12.639 -9.778 -8.403 70 H GLN 12 H GLN 12 -7.737 -9.891 -6.896 71 HA GLN 12 HA GLN 12 -7.125 -8.470 -4.436 72 HB2 GLN 12 1HB GLN 12 -6.090 -10.691 -5.817 73 HB3 GLN 12 2HB GLN 12 -4.834 -9.476 -6.025 74 HG2 GLN 12 1HG GLN 12 -4.722 -9.172 -3.559 75 HG3 GLN 12 2HG GLN 12 -6.067 -10.302 -3.354 76 HE21 GLN 12 2HE2 GLN 12 -2.594 -10.066 -4.222 77 HE22 GLN 12 1HE2 GLN 12 -2.330 -11.802 -4.080 78 H LEU 13 H LEU 13 -4.996 -7.157 -4.376 79 HA LEU 13 HA LEU 13 -5.322 -4.819 -6.067 80 HB2 LEU 13 1HB LEU 13 -4.651 -5.052 -3.523 81 HB3 LEU 13 2HB LEU 13 -3.035 -5.352 -4.141 82 HG LEU 13 HG LEU 13 -3.280 -3.062 -3.453 83 HD11 LEU 13 1HD1 LEU 13 -2.308 -1.949 -5.121 84 HD12 LEU 13 2HD1 LEU 13 -3.255 -2.730 -6.399 85 HD13 LEU 13 3HD1 LEU 13 -1.950 -3.617 -5.555 86 HD21 LEU 13 3HD2 LEU 13 -5.475 -2.459 -3.486 87 HD22 LEU 13 1HD2 LEU 13 -5.790 -3.061 -5.108 88 HD23 LEU 13 2HD2 LEU 13 -4.879 -1.578 -4.906 89 H ALA 14 H ALA 14 -4.167 -4.193 -7.801 90 HA ALA 14 HA ALA 14 -1.624 -5.493 -8.541 91 HB1 ALA 14 3HB ALA 14 -4.026 -5.295 -10.415 92 HB2 ALA 14 1HB ALA 14 -2.419 -5.929 -10.832 93 HB3 ALA 14 2HB ALA 14 -3.432 -6.793 -9.663 94 H VAL 15 H VAL 15 -0.710 -4.335 -10.574 95 HA VAL 15 HA VAL 15 -0.325 -1.567 -9.962 96 HB VAL 15 HB VAL 15 0.321 -3.070 -12.523 97 HG11 VAL 15 1HG1 VAL 15 1.233 -0.328 -11.522 98 HG12 VAL 15 2HG1 VAL 15 2.001 -1.219 -12.852 99 HG13 VAL 15 3HG1 VAL 15 0.332 -0.678 -13.019 100 HG21 VAL 15 3HG2 VAL 15 1.484 -3.961 -10.506 101 HG22 VAL 15 1HG2 VAL 15 2.609 -3.135 -11.584 102 HG23 VAL 15 2HG2 VAL 15 2.044 -2.321 -10.109 103 H GLY 16 H GLY 16 -1.276 0.260 -10.576 104 HA2 GLY 16 1HA GLY 16 -2.598 1.736 -11.795 105 HA3 GLY 16 2HA GLY 16 -3.188 0.421 -12.806 106 H ASP 17 H ASP 17 -3.687 -0.794 -9.786 107 HA ASP 17 HA ASP 17 -6.506 -0.180 -9.740 108 HB2 ASP 17 1HB ASP 17 -5.218 -2.317 -8.999 109 HB3 ASP 17 2HB ASP 17 -4.964 -1.456 -7.473 110 H ARG 18 H ARG 18 -7.372 0.317 -7.286 111 HA ARG 18 HA ARG 18 -6.267 3.009 -6.570 112 HB2 ARG 18 1HB ARG 18 -9.121 2.170 -7.205 113 HB3 ARG 18 2HB ARG 18 -8.833 3.477 -6.066 114 HG2 ARG 18 1HG ARG 18 -7.647 3.454 -8.858 115 HG3 ARG 18 2HG ARG 18 -9.208 4.186 -8.473 116 HD2 ARG 18 1HD ARG 18 -8.221 5.857 -7.054 117 HD3 ARG 18 2HD ARG 18 -6.701 4.996 -6.952 118 HE ARG 18 HE ARG 18 -6.025 5.787 -8.988 119 HH11 ARG 18 1HH1 ARG 18 -9.392 6.743 -8.687 120 HH12 ARG 18 2HH1 ARG 18 -9.311 7.722 -10.121 121 HH21 ARG 18 1HH2 ARG 18 -6.016 7.036 -10.780 122 HH22 ARG 18 2HH2 ARG 18 -7.443 7.904 -11.253 123 H VAL 19 H VAL 19 -6.059 3.509 -4.570 124 HA VAL 19 HA VAL 19 -7.067 1.731 -2.409 125 HB VAL 19 HB VAL 19 -4.874 1.531 -1.433 126 HG11 VAL 19 1HG1 VAL 19 -3.806 0.028 -2.998 127 HG12 VAL 19 2HG1 VAL 19 -5.572 -0.126 -3.157 128 HG13 VAL 19 3HG1 VAL 19 -4.634 0.775 -4.369 129 HG21 VAL 19 3HG2 VAL 19 -3.923 3.282 -3.721 130 HG22 VAL 19 1HG2 VAL 19 -3.658 3.434 -1.960 131 HG23 VAL 19 2HG2 VAL 19 -2.837 2.167 -2.888 132 H VAL 20 H VAL 20 -7.571 2.789 -0.561 133 HA VAL 20 HA VAL 20 -6.626 5.559 -0.151 134 HB VAL 20 HB VAL 20 -8.673 5.899 -1.284 135 HG11 VAL 20 1HG1 VAL 20 -10.181 4.246 -1.272 136 HG12 VAL 20 2HG1 VAL 20 -9.735 3.664 0.341 137 HG13 VAL 20 3HG1 VAL 20 -10.830 5.035 0.175 138 HG21 VAL 20 3HG2 VAL 20 -9.886 7.284 0.190 139 HG22 VAL 20 1HG2 VAL 20 -9.343 6.389 1.618 140 HG23 VAL 20 2HG2 VAL 20 -8.196 7.363 0.682 141 H TYR 21 H TYR 21 -6.262 6.099 1.901 142 HA TYR 21 HA TYR 21 -6.119 3.971 3.895 143 HB2 TYR 21 1HB TYR 21 -5.272 6.795 3.606 144 HB3 TYR 21 2HB TYR 21 -5.745 6.336 5.229 145 HD1 TYR 21 HD1 TYR 21 -3.982 4.164 2.667 146 HD2 TYR 21 HD2 TYR 21 -3.767 6.234 6.460 147 HE1 TYR 21 HE1 TYR 21 -1.755 3.186 3.082 148 HE2 TYR 21 HE2 TYR 21 -1.576 5.244 6.879 149 HH TYR 21 HH TYR 21 0.141 4.017 6.044 150 HA PRO 22 HA PRO 22 -9.992 4.298 5.843 151 HB2 PRO 22 1HB PRO 22 -9.494 3.959 8.524 152 HB3 PRO 22 2HB PRO 22 -9.304 2.666 7.302 153 HG2 PRO 22 1HG PRO 22 -7.152 4.454 8.467 154 HG3 PRO 22 2HG PRO 22 -7.120 2.675 8.244 155 HD2 PRO 22 1HD PRO 22 -5.947 4.365 6.451 156 HD3 PRO 22 2HD PRO 22 -6.791 2.887 5.915 157 H ASN 23 H ASN 23 -7.551 6.565 7.022 158 HA ASN 23 HA ASN 23 -9.508 8.733 7.027 159 HB2 ASN 23 1HB ASN 23 -9.664 7.525 9.315 160 HB3 ASN 23 2HB ASN 23 -8.050 8.146 9.642 161 HD21 ASN 23 2HD2 ASN 23 -8.674 9.586 11.328 162 HD22 ASN 23 1HD2 ASN 23 -9.792 10.917 11.036 163 H GLN 24 H GLN 24 -7.430 8.582 5.297 164 HA GLN 24 HA GLN 24 -5.534 10.702 6.218 165 HB2 GLN 24 1HB GLN 24 -4.802 8.073 6.249 166 HB3 GLN 24 2HB GLN 24 -4.250 8.534 4.641 167 HG2 GLN 24 1HG GLN 24 -2.439 8.751 6.166 168 HG3 GLN 24 2HG GLN 24 -2.925 10.367 5.682 169 HE21 GLN 24 2HE2 GLN 24 -3.458 7.915 8.337 170 HE22 GLN 24 1HE2 GLN 24 -3.642 9.151 9.572 171 H GLY 25 H GLY 25 -6.008 8.718 3.231 172 HA2 GLY 25 1HA GLY 25 -7.190 10.635 1.597 173 HA3 GLY 25 2HA GLY 25 -5.449 10.909 1.448 174 H VAL 26 H VAL 26 -6.800 10.264 -0.758 175 HA VAL 26 HA VAL 26 -6.639 7.398 -1.398 176 HB VAL 26 HB VAL 26 -8.394 8.739 -2.386 177 HG11 VAL 26 1HG1 VAL 26 -6.239 10.282 -3.890 178 HG12 VAL 26 2HG1 VAL 26 -7.989 10.387 -4.155 179 HG13 VAL 26 3HG1 VAL 26 -7.300 10.939 -2.625 180 HG21 VAL 26 3HG2 VAL 26 -8.240 7.988 -4.657 181 HG22 VAL 26 1HG2 VAL 26 -6.477 7.879 -4.584 182 HG23 VAL 26 2HG2 VAL 26 -7.473 6.771 -3.616 183 H CYS 27 H CYS 27 -5.181 6.406 -2.760 184 HA CYS 27 HA CYS 27 -2.760 7.913 -3.612 185 HB2 CYS 27 1HB CYS 27 -2.571 5.087 -2.570 186 HB3 CYS 27 2HB CYS 27 -1.291 6.251 -2.821 187 HG CYS 27 HG CYS 27 -3.734 6.224 -0.552 188 H ARG 28 H ARG 28 -1.446 6.479 -5.140 189 HA ARG 28 HA ARG 28 -3.189 4.983 -7.045 190 HB2 ARG 28 1HB ARG 28 -1.891 7.594 -7.339 191 HB3 ARG 28 2HB ARG 28 -1.192 6.491 -8.498 192 HG2 ARG 28 1HG ARG 28 -4.204 6.857 -8.194 193 HG3 ARG 28 2HG ARG 28 -3.195 7.882 -9.208 194 HD2 ARG 28 1HD ARG 28 -2.399 5.358 -10.042 195 HD3 ARG 28 2HD ARG 28 -4.109 5.094 -9.688 196 HE ARG 28 HE ARG 28 -3.626 7.525 -11.236 197 HH11 ARG 28 1HH1 ARG 28 -3.726 4.070 -11.753 198 HH12 ARG 28 2HH1 ARG 28 -3.924 4.256 -13.474 199 HH21 ARG 28 1HH2 ARG 28 -4.012 7.697 -13.393 200 HH22 ARG 28 2HH2 ARG 28 -4.100 6.262 -14.364 201 H VAL 29 H VAL 29 -2.459 3.045 -7.394 202 HA VAL 29 HA VAL 29 0.061 2.051 -6.445 203 HB VAL 29 HB VAL 29 -1.851 0.697 -8.371 204 HG11 VAL 29 1HG1 VAL 29 0.396 -0.397 -8.199 205 HG12 VAL 29 2HG1 VAL 29 0.258 -0.402 -6.434 206 HG13 VAL 29 3HG1 VAL 29 -0.851 -1.373 -7.416 207 HG21 VAL 29 3HG2 VAL 29 -1.730 0.473 -5.335 208 HG22 VAL 29 1HG2 VAL 29 -2.946 1.438 -6.197 209 HG23 VAL 29 2HG2 VAL 29 -2.895 -0.290 -6.459 210 H SER 30 H SER 30 1.945 2.343 -7.257 211 HA SER 30 HA SER 30 2.331 2.886 -10.182 212 HB2 SER 30 1HB SER 30 4.157 3.511 -7.830 213 HB3 SER 30 2HB SER 30 4.424 3.964 -9.521 214 HG SER 30 HG SER 30 2.462 5.200 -9.390 215 H ALA 31 H ALA 31 3.804 1.086 -7.456 216 HA ALA 31 HA ALA 31 4.665 -1.094 -9.218 217 HB1 ALA 31 3HB ALA 31 7.026 -0.886 -8.085 218 HB2 ALA 31 1HB ALA 31 6.645 0.173 -9.451 219 HB3 ALA 31 2HB ALA 31 6.571 0.802 -7.791 220 H ILE 32 H ILE 32 5.660 -2.866 -7.808 221 HA ILE 32 HA ILE 32 4.902 -2.876 -4.967 222 HB ILE 32 HB ILE 32 3.768 -4.945 -6.914 223 HG12 ILE 32 1HG1 ILE 32 2.308 -2.793 -5.313 224 HG13 ILE 32 2HG1 ILE 32 2.423 -2.914 -7.067 225 HG21 ILE 32 1HG2 ILE 32 4.433 -5.966 -4.810 226 HG22 ILE 32 2HG2 ILE 32 3.590 -4.715 -3.878 227 HG23 ILE 32 3HG2 ILE 32 2.689 -5.887 -4.862 228 HD11 ILE 32 3HD1 ILE 32 0.812 -4.672 -5.222 229 HD12 ILE 32 1HD1 ILE 32 0.268 -3.630 -6.543 230 HD13 ILE 32 2HD1 ILE 32 1.168 -5.116 -6.913 231 H ASP 33 H ASP 33 6.287 -4.225 -3.791 232 HA ASP 33 HA ASP 33 7.971 -6.175 -5.238 233 HB2 ASP 33 1HB ASP 33 9.006 -3.638 -4.720 234 HB3 ASP 33 2HB ASP 33 9.543 -4.550 -3.319 235 H VAL 34 H VAL 34 9.441 -7.373 -3.527 236 HA VAL 34 HA VAL 34 7.868 -7.884 -1.031 237 HB VAL 34 HB VAL 34 8.455 -10.264 -1.160 238 HG11 VAL 34 1HG1 VAL 34 6.269 -9.919 -1.770 239 HG12 VAL 34 2HG1 VAL 34 6.665 -9.084 -3.290 240 HG13 VAL 34 3HG1 VAL 34 6.869 -10.838 -3.134 241 HG21 VAL 34 3HG2 VAL 34 9.314 -9.746 -4.030 242 HG22 VAL 34 1HG2 VAL 34 10.376 -10.238 -2.690 243 HG23 VAL 34 2HG2 VAL 34 9.115 -11.330 -3.254 244 H LYS 35 H LYS 35 9.013 -8.214 0.836 245 HA LYS 35 HA LYS 35 11.887 -8.638 0.805 246 HB2 LYS 35 1HB LYS 35 12.466 -6.578 2.091 247 HB3 LYS 35 2HB LYS 35 12.024 -6.267 0.421 248 HG2 LYS 35 1HG LYS 35 9.875 -5.425 1.022 249 HG3 LYS 35 2HG LYS 35 10.028 -5.964 2.699 250 HD2 LYS 35 1HD LYS 35 11.919 -3.896 1.500 251 HD3 LYS 35 2HD LYS 35 10.340 -3.471 2.145 252 HE2 LYS 35 1HE LYS 35 11.258 -3.254 4.142 253 HE3 LYS 35 2HE LYS 35 11.316 -5.014 4.214 254 HZ1 LYS 35 3HZ LYS 35 13.523 -3.278 3.217 255 HZ2 LYS 35 1HZ LYS 35 13.606 -4.905 3.375 256 HZ3 LYS 35 2HZ LYS 35 13.476 -3.959 4.694 257 H GLU 36 H GLU 36 12.813 -8.643 3.018 258 HA GLU 36 HA GLU 36 10.896 -9.781 5.000 259 HB2 GLU 36 1HB GLU 36 13.522 -10.639 4.125 260 HB3 GLU 36 2HB GLU 36 13.635 -10.113 5.800 261 HG2 GLU 36 1HG GLU 36 11.397 -11.596 6.020 262 HG3 GLU 36 2HG GLU 36 12.107 -12.392 4.614 263 H VAL 37 H VAL 37 10.280 -8.464 6.562 264 HA VAL 37 HA VAL 37 12.228 -6.499 7.702 265 HB VAL 37 HB VAL 37 10.498 -5.372 6.273 266 HG11 VAL 37 1HG1 VAL 37 8.563 -6.857 6.891 267 HG12 VAL 37 2HG1 VAL 37 8.530 -6.081 8.485 268 HG13 VAL 37 3HG1 VAL 37 8.235 -5.113 7.033 269 HG21 VAL 37 3HG2 VAL 37 10.047 -3.586 7.865 270 HG22 VAL 37 1HG2 VAL 37 10.419 -4.654 9.231 271 HG23 VAL 37 2HG2 VAL 37 11.697 -4.193 8.080 272 H ALA 38 H ALA 38 12.347 -6.484 9.902 273 HA ALA 38 HA ALA 38 12.345 -7.458 11.966 274 HB1 ALA 38 3HB ALA 38 9.335 -7.230 11.601 275 HB2 ALA 38 1HB ALA 38 10.239 -7.183 13.130 276 HB3 ALA 38 2HB ALA 38 10.421 -5.868 11.954 277 H GLY 39 H GLY 39 12.452 -9.486 9.847 278 HA2 GLY 39 1HA GLY 39 12.661 -11.813 9.852 279 HA3 GLY 39 2HA GLY 39 11.848 -11.896 11.405 280 H GLN 40 H GLN 40 10.299 -10.258 8.661 281 HA GLN 40 HA GLN 40 8.439 -12.545 8.188 282 HB2 GLN 40 1HB GLN 40 7.568 -10.905 9.894 283 HB3 GLN 40 2HB GLN 40 7.700 -9.638 8.693 284 HG2 GLN 40 1HG GLN 40 5.559 -10.094 8.241 285 HG3 GLN 40 2HG GLN 40 6.183 -11.378 7.243 286 HE21 GLN 40 2HE2 GLN 40 5.804 -11.209 10.882 287 HE22 GLN 40 1HE2 GLN 40 4.723 -12.601 10.902 288 H LYS 41 H LYS 41 8.466 -12.998 6.080 289 HA LYS 41 HA LYS 41 9.194 -10.949 4.059 290 HB2 LYS 41 1HB LYS 41 10.119 -13.476 4.380 291 HB3 LYS 41 2HB LYS 41 8.804 -13.829 3.286 292 HG2 LYS 41 1HG LYS 41 10.914 -11.683 2.739 293 HG3 LYS 41 2HG LYS 41 11.123 -13.378 2.334 294 HD2 LYS 41 1HD LYS 41 8.634 -12.692 1.174 295 HD3 LYS 41 2HD LYS 41 9.652 -11.279 0.896 296 HE2 LYS 41 1HE LYS 41 10.305 -14.177 0.177 297 HE3 LYS 41 2HE LYS 41 9.772 -12.937 -0.957 298 HZ1 LYS 41 3HZ LYS 41 11.845 -11.710 -0.468 299 HZ2 LYS 41 1HZ LYS 41 12.172 -13.203 -1.035 300 HZ3 LYS 41 2HZ LYS 41 12.340 -12.893 0.550 301 H LEU 42 H LEU 42 7.664 -9.929 2.926 302 HA LEU 42 HA LEU 42 5.292 -11.333 1.970 303 HB2 LEU 42 1HB LEU 42 3.619 -10.314 3.237 304 HB3 LEU 42 2HB LEU 42 4.836 -10.707 4.414 305 HG LEU 42 HG LEU 42 5.591 -8.158 3.684 306 HD11 LEU 42 1HD1 LEU 42 3.831 -6.815 3.309 307 HD12 LEU 42 2HD1 LEU 42 2.635 -7.896 4.106 308 HD13 LEU 42 3HD1 LEU 42 3.213 -8.237 2.481 309 HD21 LEU 42 3HD2 LEU 42 5.519 -8.926 5.983 310 HD22 LEU 42 1HD2 LEU 42 3.737 -8.979 5.949 311 HD23 LEU 42 2HD2 LEU 42 4.596 -7.426 5.833 312 H THR 43 H THR 43 3.784 -9.710 0.822 313 HA THR 43 HA THR 43 5.393 -8.106 -1.069 314 HB THR 43 HB THR 43 2.392 -8.628 -1.019 315 HG1 THR 43 HG1 THR 43 3.630 -10.546 -1.268 316 HG21 THR 43 3HG2 THR 43 4.294 -7.641 -3.182 317 HG22 THR 43 1HG2 THR 43 2.961 -6.723 -2.433 318 HG23 THR 43 2HG2 THR 43 2.606 -8.118 -3.460 319 H PHE 44 H PHE 44 5.815 -6.016 -0.753 320 HA PHE 44 HA PHE 44 3.944 -4.343 0.881 321 HB2 PHE 44 1HB PHE 44 6.887 -3.937 0.259 322 HB3 PHE 44 2HB PHE 44 5.851 -2.781 1.086 323 HD1 PHE 44 HD1 PHE 44 5.064 -3.182 3.403 324 HD2 PHE 44 HD2 PHE 44 7.626 -6.034 1.392 325 HE1 PHE 44 HE1 PHE 44 5.429 -4.420 5.577 326 HE2 PHE 44 HE2 PHE 44 7.951 -7.219 3.540 327 HZ PHE 44 HZ PHE 44 6.825 -6.441 5.582 328 H VAL 45 H VAL 45 2.577 -3.218 -0.328 329 HA VAL 45 HA VAL 45 2.932 -2.717 -3.184 330 HB VAL 45 HB VAL 45 0.994 -1.187 -2.941 331 HG11 VAL 45 1HG1 VAL 45 1.018 -4.041 -2.671 332 HG12 VAL 45 2HG1 VAL 45 -0.288 -3.416 -1.663 333 HG13 VAL 45 3HG1 VAL 45 -0.223 -2.995 -3.382 334 HG21 VAL 45 3HG2 VAL 45 -0.259 -0.986 -0.918 335 HG22 VAL 45 1HG2 VAL 45 0.762 -2.151 -0.068 336 HG23 VAL 45 2HG2 VAL 45 1.400 -0.554 -0.504 337 H THR 46 H THR 46 3.479 -0.754 -4.277 338 HA THR 46 HA THR 46 4.591 1.409 -2.542 339 HB THR 46 HB THR 46 5.797 0.817 -5.241 340 HG1 THR 46 HG1 THR 46 6.460 -0.430 -2.783 341 HG21 THR 46 3HG2 THR 46 7.753 1.860 -4.199 342 HG22 THR 46 1HG2 THR 46 6.919 1.942 -2.634 343 HG23 THR 46 2HG2 THR 46 6.346 2.923 -4.002 344 H MET 47 H MET 47 3.216 3.040 -2.676 345 HA MET 47 HA MET 47 2.167 3.853 -5.369 346 HB2 MET 47 1HB MET 47 0.810 4.277 -2.694 347 HB3 MET 47 2HB MET 47 0.142 4.563 -4.280 348 HG2 MET 47 1HG MET 47 -0.852 2.547 -3.940 349 HG3 MET 47 2HG MET 47 0.694 1.910 -4.498 350 HE1 MET 47 3HE MET 47 -1.673 1.780 -1.011 351 HE2 MET 47 1HE MET 47 -0.368 2.530 -0.079 352 HE3 MET 47 2HE MET 47 -1.061 3.383 -1.477 353 H ARG 48 H ARG 48 1.756 6.108 -5.622 354 HA ARG 48 HA ARG 48 3.195 7.930 -3.732 355 HB2 ARG 48 1HB ARG 48 3.494 7.953 -6.762 356 HB3 ARG 48 2HB ARG 48 3.936 9.281 -5.692 357 HG2 ARG 48 1HG ARG 48 5.954 8.357 -5.669 358 HG3 ARG 48 2HG ARG 48 5.292 7.313 -4.424 359 HD2 ARG 48 1HD ARG 48 4.945 5.506 -5.972 360 HD3 ARG 48 2HD ARG 48 5.261 6.536 -7.366 361 HE ARG 48 HE ARG 48 7.228 5.202 -5.699 362 HH11 ARG 48 1HH1 ARG 48 6.871 8.021 -7.737 363 HH12 ARG 48 2HH1 ARG 48 8.585 8.171 -7.998 364 HH21 ARG 48 1HH2 ARG 48 9.412 5.429 -6.091 365 HH22 ARG 48 2HH2 ARG 48 9.968 6.730 -7.099 366 H ARG 49 H ARG 49 2.128 9.528 -3.076 367 HA ARG 49 HA ARG 49 -0.622 10.152 -4.073 368 HB2 ARG 49 1HB ARG 49 1.010 11.068 -1.654 369 HB3 ARG 49 2HB ARG 49 -0.617 11.651 -2.035 370 HG2 ARG 49 1HG ARG 49 -1.593 9.499 -1.719 371 HG3 ARG 49 2HG ARG 49 -0.033 8.682 -1.636 372 HD2 ARG 49 1HD ARG 49 -0.796 10.842 0.351 373 HD3 ARG 49 2HD ARG 49 -1.308 9.159 0.568 374 HE ARG 49 HE ARG 49 1.443 8.993 0.155 375 HH11 ARG 49 1HH1 ARG 49 -0.550 10.586 2.532 376 HH12 ARG 49 2HH1 ARG 49 0.621 10.378 3.804 377 HH21 ARG 49 1HH2 ARG 49 2.931 8.739 1.843 378 HH22 ARG 49 2HH2 ARG 49 2.498 9.335 3.413 379 H GLU 50 H GLU 50 -0.529 11.382 -5.846 380 HA GLU 50 HA GLU 50 1.487 13.307 -6.521 381 HB2 GLU 50 1HB GLU 50 -1.399 13.028 -7.429 382 HB3 GLU 50 2HB GLU 50 -0.237 14.106 -8.186 383 HG2 GLU 50 1HG GLU 50 0.719 11.285 -7.967 384 HG3 GLU 50 2HG GLU 50 -0.747 11.481 -8.911 385 H GLU 51 H GLU 51 -1.177 13.548 -4.364 386 HA GLU 51 HA GLU 51 -1.803 16.283 -4.295 387 HB2 GLU 51 1HB GLU 51 -2.926 14.306 -3.140 388 HB3 GLU 51 2HB GLU 51 -1.661 14.403 -1.906 389 HG2 GLU 51 1HG GLU 51 -2.377 16.733 -1.383 390 HG3 GLU 51 2HG GLU 51 -3.573 16.650 -2.682 391 H ASP 52 H ASP 52 0.862 14.599 -2.649 392 HA ASP 52 HA ASP 52 2.145 17.243 -2.067 393 HB2 ASP 52 1HB ASP 52 1.073 16.079 -0.048 394 HB3 ASP 52 2HB ASP 52 2.327 14.852 -0.214 395 H GLY 53 H GLY 53 2.449 14.576 -3.914 396 HA2 GLY 53 1HA GLY 53 4.153 13.610 -5.116 397 HA3 GLY 53 2HA GLY 53 5.276 14.821 -4.494 398 H ALA 54 H ALA 54 3.570 13.066 -2.082 399 HA ALA 54 HA ALA 54 6.053 11.878 -1.057 400 HB1 ALA 54 3HB ALA 54 3.189 11.861 0.025 401 HB2 ALA 54 1HB ALA 54 4.654 11.396 0.917 402 HB3 ALA 54 2HB ALA 54 4.430 13.079 0.408 403 H VAL 55 H VAL 55 6.177 9.652 -0.336 404 HA VAL 55 HA VAL 55 4.734 7.733 -2.121 405 HB VAL 55 HB VAL 55 6.408 6.117 -1.668 406 HG11 VAL 55 1HG1 VAL 55 8.318 8.290 -2.240 407 HG12 VAL 55 2HG1 VAL 55 7.789 6.921 -3.237 408 HG13 VAL 55 3HG1 VAL 55 6.836 8.413 -3.185 409 HG21 VAL 55 3HG2 VAL 55 7.786 8.138 0.147 410 HG22 VAL 55 1HG2 VAL 55 7.032 6.608 0.650 411 HG23 VAL 55 2HG2 VAL 55 8.460 6.586 -0.391 412 H VAL 56 H VAL 56 4.021 5.712 -1.227 413 HA VAL 56 HA VAL 56 3.681 5.462 1.676 414 HB VAL 56 HB VAL 56 1.786 6.786 1.243 415 HG11 VAL 56 1HG1 VAL 56 0.240 6.671 -0.377 416 HG12 VAL 56 2HG1 VAL 56 1.594 6.042 -1.309 417 HG13 VAL 56 3HG1 VAL 56 0.402 4.927 -0.615 418 HG21 VAL 56 3HG2 VAL 56 0.814 3.923 1.513 419 HG22 VAL 56 1HG2 VAL 56 1.487 4.917 2.823 420 HG23 VAL 56 2HG2 VAL 56 -0.025 5.395 2.031 421 H MET 57 H MET 57 4.166 3.479 2.174 422 HA MET 57 HA MET 57 3.451 1.269 0.371 423 HB2 MET 57 1HB MET 57 5.514 0.138 0.827 424 HB3 MET 57 2HB MET 57 5.834 1.746 0.150 425 HG2 MET 57 1HG MET 57 6.393 2.598 2.350 426 HG3 MET 57 2HG MET 57 6.004 1.045 3.096 427 HE1 MET 57 3HE MET 57 8.724 -1.363 2.157 428 HE2 MET 57 1HE MET 57 8.289 -0.658 3.727 429 HE3 MET 57 2HE MET 57 7.014 -1.112 2.574 430 H VAL 58 H VAL 58 2.506 -0.435 1.276 431 HA VAL 58 HA VAL 58 2.574 -0.751 4.201 432 HB VAL 58 HB VAL 58 0.157 -1.167 4.396 433 HG11 VAL 58 1HG1 VAL 58 0.674 1.608 3.293 434 HG12 VAL 58 2HG1 VAL 58 -0.625 1.096 4.393 435 HG13 VAL 58 3HG1 VAL 58 1.059 1.059 4.937 436 HG21 VAL 58 3HG2 VAL 58 -0.412 -1.785 2.104 437 HG22 VAL 58 1HG2 VAL 58 -1.441 -0.482 2.708 438 HG23 VAL 58 2HG2 VAL 58 -0.129 -0.102 1.572 439 HA PRO 59 HA PRO 59 2.944 -4.967 3.133 440 HB2 PRO 59 1HB PRO 59 2.007 -6.189 5.413 441 HB3 PRO 59 2HB PRO 59 3.571 -5.388 5.332 442 HG2 PRO 59 1HG PRO 59 0.950 -4.265 6.350 443 HG3 PRO 59 2HG PRO 59 2.570 -4.183 7.135 444 HD2 PRO 59 1HD PRO 59 1.612 -2.118 5.725 445 HD3 PRO 59 2HD PRO 59 3.326 -2.589 5.556 446 H GLU 60 H GLU 60 1.652 -6.012 1.642 447 HA GLU 60 HA GLU 60 -1.184 -5.883 1.615 448 HB2 GLU 60 1HB GLU 60 0.708 -7.867 0.287 449 HB3 GLU 60 2HB GLU 60 -1.032 -7.849 0.043 450 HG2 GLU 60 1HG GLU 60 -0.496 -5.219 -0.413 451 HG3 GLU 60 2HG GLU 60 1.021 -5.926 -0.965 452 H GLY 61 H GLY 61 0.880 -8.467 2.938 453 HA2 GLY 61 1HA GLY 61 -1.482 -10.045 3.845 454 HA3 GLY 61 2HA GLY 61 0.218 -10.523 3.956 455 H LYS 62 H LYS 62 -0.179 -7.385 5.080 456 HA LYS 62 HA LYS 62 -0.710 -8.194 7.914 457 HB2 LYS 62 1HB LYS 62 1.835 -7.768 6.941 458 HB3 LYS 62 2HB LYS 62 1.397 -6.170 7.583 459 HG2 LYS 62 1HG LYS 62 0.967 -7.099 9.760 460 HG3 LYS 62 2HG LYS 62 1.283 -8.729 9.123 461 HD2 LYS 62 1HD LYS 62 3.556 -7.080 8.356 462 HD3 LYS 62 2HD LYS 62 3.181 -6.663 10.019 463 HE2 LYS 62 1HE LYS 62 3.742 -9.449 8.929 464 HE3 LYS 62 2HE LYS 62 4.783 -8.492 9.994 465 HZ1 LYS 62 3HZ LYS 62 2.901 -8.659 11.664 466 HZ2 LYS 62 1HZ LYS 62 3.640 -10.080 11.343 467 HZ3 LYS 62 2HZ LYS 62 2.189 -9.761 10.689 468 H VAL 63 H VAL 63 -1.713 -6.189 5.461 469 HA VAL 63 HA VAL 63 -2.253 -3.712 6.526 470 HB VAL 63 HB VAL 63 -4.487 -3.868 5.423 471 HG11 VAL 63 1HG1 VAL 63 -2.311 -4.566 3.466 472 HG12 VAL 63 2HG1 VAL 63 -3.708 -3.503 3.262 473 HG13 VAL 63 3HG1 VAL 63 -2.374 -3.008 4.317 474 HG21 VAL 63 3HG2 VAL 63 -4.433 -6.540 5.499 475 HG22 VAL 63 1HG2 VAL 63 -5.336 -5.608 4.301 476 HG23 VAL 63 2HG2 VAL 63 -3.760 -6.293 3.888 477 H LEU 64 H LEU 64 -3.707 -6.692 7.582 478 HA LEU 64 HA LEU 64 -5.946 -5.781 9.030 479 HB2 LEU 64 1HB LEU 64 -4.148 -8.074 9.882 480 HB3 LEU 64 2HB LEU 64 -5.877 -7.892 10.141 481 HG LEU 64 HG LEU 64 -4.448 -8.579 7.520 482 HD11 LEU 64 1HD1 LEU 64 -5.693 -10.656 7.717 483 HD12 LEU 64 2HD1 LEU 64 -6.538 -10.070 9.167 484 HD13 LEU 64 3HD1 LEU 64 -4.790 -10.383 9.216 485 HD21 LEU 64 3HD2 LEU 64 -6.745 -8.798 6.547 486 HD22 LEU 64 1HD2 LEU 64 -6.331 -7.121 6.913 487 HD23 LEU 64 2HD2 LEU 64 -7.417 -8.016 7.996 488 H ALA 65 H ALA 65 -2.533 -5.626 9.879 489 HA ALA 65 HA ALA 65 -2.886 -4.955 12.689 490 HB1 ALA 65 3HB ALA 65 -0.471 -4.567 12.610 491 HB2 ALA 65 1HB ALA 65 -0.865 -6.087 11.785 492 HB3 ALA 65 2HB ALA 65 -0.477 -4.634 10.837 493 H ILE 66 H ILE 66 -2.023 -3.057 9.760 494 HA ILE 66 HA ILE 66 -2.010 -0.489 11.116 495 HB ILE 66 HB ILE 66 -2.300 -1.056 8.131 496 HG12 ILE 66 1HG1 ILE 66 0.315 -0.202 8.508 497 HG13 ILE 66 2HG1 ILE 66 0.074 -1.148 9.968 498 HG21 ILE 66 1HG2 ILE 66 -2.868 1.288 8.738 499 HG22 ILE 66 2HG2 ILE 66 -1.328 1.443 9.598 500 HG23 ILE 66 3HG2 ILE 66 -1.360 1.208 7.836 501 HD11 ILE 66 3HD1 ILE 66 1.021 -2.495 8.175 502 HD12 ILE 66 1HD1 ILE 66 -0.614 -3.092 8.512 503 HD13 ILE 66 2HD1 ILE 66 -0.320 -2.073 7.085 504 H GLY 67 H GLY 67 -4.489 -2.353 9.454 505 HA2 GLY 67 1HA GLY 67 -6.820 -2.174 9.698 506 HA3 GLY 67 2HA GLY 67 -6.658 -0.558 10.380 507 H VAL 68 H VAL 68 -4.755 -0.724 7.586 508 HA VAL 68 HA VAL 68 -6.687 0.889 6.032 509 HB VAL 68 HB VAL 68 -3.829 0.001 5.414 510 HG11 VAL 68 1HG1 VAL 68 -5.664 1.820 3.820 511 HG12 VAL 68 2HG1 VAL 68 -3.902 1.698 3.593 512 HG13 VAL 68 3HG1 VAL 68 -4.916 0.302 3.282 513 HG21 VAL 68 3HG2 VAL 68 -3.036 1.974 6.160 514 HG22 VAL 68 1HG2 VAL 68 -4.490 2.872 5.763 515 HG23 VAL 68 2HG2 VAL 68 -4.446 1.895 7.234 516 H ARG 69 H ARG 69 -8.099 0.025 4.625 517 HA ARG 69 HA ARG 69 -7.534 -2.695 3.493 518 HB2 ARG 69 1HB ARG 69 -10.049 -1.149 4.075 519 HB3 ARG 69 2HB ARG 69 -10.050 -2.223 2.688 520 HG2 ARG 69 1HG ARG 69 -9.342 -3.135 5.494 521 HG3 ARG 69 2HG ARG 69 -10.915 -3.300 4.704 522 HD2 ARG 69 1HD ARG 69 -9.277 -4.386 2.781 523 HD3 ARG 69 2HD ARG 69 -8.390 -4.827 4.249 524 HE ARG 69 HE ARG 69 -11.083 -5.516 4.703 525 HH11 ARG 69 1HH1 ARG 69 -8.597 -6.561 2.474 526 HH12 ARG 69 2HH1 ARG 69 -9.386 -8.083 2.166 527 HH21 ARG 69 1HH2 ARG 69 -12.043 -7.463 4.260 528 HH22 ARG 69 2HH2 ARG 69 -11.282 -8.574 3.164 529 H LYS 70 H LYS 70 -6.374 -2.597 1.797 530 HA LYS 70 HA LYS 70 -6.991 -0.659 -0.429 531 HB2 LYS 70 1HB LYS 70 -4.607 -1.074 -1.114 532 HB3 LYS 70 2HB LYS 70 -4.818 -0.144 0.359 533 HG2 LYS 70 1HG LYS 70 -3.580 -1.522 1.539 534 HG3 LYS 70 2HG LYS 70 -4.523 -2.934 1.098 535 HD2 LYS 70 1HD LYS 70 -2.427 -1.797 -0.773 536 HD3 LYS 70 2HD LYS 70 -1.972 -2.866 0.547 537 HE2 LYS 70 1HE LYS 70 -3.948 -3.567 -1.664 538 HE3 LYS 70 2HE LYS 70 -2.248 -4.024 -1.642 539 HZ1 LYS 70 3HZ LYS 70 -4.443 -5.070 -0.031 540 HZ2 LYS 70 1HZ LYS 70 -2.929 -5.109 0.618 541 HZ3 LYS 70 2HZ LYS 70 -3.219 -5.858 -0.817 542 H VAL 71 H VAL 71 -8.300 -1.674 -1.745 543 HA VAL 71 HA VAL 71 -7.491 -4.067 -3.227 544 HB VAL 71 HB VAL 71 -10.201 -4.253 -1.865 545 HG11 VAL 71 1HG1 VAL 71 -8.402 -6.266 -3.250 546 HG12 VAL 71 2HG1 VAL 71 -9.864 -6.711 -2.352 547 HG13 VAL 71 3HG1 VAL 71 -10.009 -5.698 -3.767 548 HG21 VAL 71 3HG2 VAL 71 -8.624 -4.376 0.044 549 HG22 VAL 71 1HG2 VAL 71 -9.420 -5.907 -0.269 550 HG23 VAL 71 2HG2 VAL 71 -7.742 -5.680 -0.797 551 H ALA 72 H ALA 72 -8.863 -4.354 -5.131 552 HA ALA 72 HA ALA 72 -9.826 -2.118 -6.461 553 HB1 ALA 72 3HB ALA 72 -10.776 -4.985 -6.869 554 HB2 ALA 72 1HB ALA 72 -10.630 -3.699 -8.083 555 HB3 ALA 72 2HB ALA 72 -9.173 -4.406 -7.369 556 H SER 73 H SER 73 -11.595 -4.051 -4.178 557 HA SER 73 HA SER 73 -14.089 -2.457 -4.625 558 HB2 SER 73 1HB SER 73 -14.028 -4.916 -5.396 559 HB3 SER 73 2HB SER 73 -14.059 -5.331 -3.677 560 HG SER 73 HG SER 73 -16.009 -4.084 -3.526 561 H ALA 74 H ALA 74 -11.702 -2.362 -2.581 562 HA ALA 74 HA ALA 74 -13.068 -2.692 0.029 563 HB1 ALA 74 3HB ALA 74 -10.276 -1.890 -0.829 564 HB2 ALA 74 1HB ALA 74 -10.859 -1.672 0.816 565 HB3 ALA 74 2HB ALA 74 -10.809 -3.305 0.128 566 H GLU 75 H GLU 75 -11.308 -0.011 -1.476 567 HA GLU 75 HA GLU 75 -11.181 2.176 -0.978 568 HB2 GLU 75 1HB GLU 75 -12.918 2.206 -2.600 569 HB3 GLU 75 2HB GLU 75 -14.171 1.858 -1.441 570 HG2 GLU 75 1HG GLU 75 -12.613 4.431 -1.155 571 HG3 GLU 75 2HG GLU 75 -13.700 4.272 -2.514 Start of MODEL 8 1 H1 ALA 1 1H ALA 1 -12.603 19.359 -10.699 2 H2 ALA 1 2H ALA 1 -10.967 19.380 -10.681 3 H3 ALA 1 3H ALA 1 -11.768 19.253 -12.106 4 HA ALA 1 HA ALA 1 -12.680 17.112 -11.427 5 HB1 ALA 1 3HB ALA 1 -9.643 17.370 -11.541 6 HB2 ALA 1 1HB ALA 1 -10.513 15.825 -11.630 7 HB3 ALA 1 2HB ALA 1 -10.761 17.046 -12.887 8 H GLY 2 H GLY 2 -12.468 15.259 -10.012 9 HA2 GLY 2 1HA GLY 2 -11.069 15.051 -7.594 10 HA3 GLY 2 2HA GLY 2 -12.532 15.949 -7.191 11 H HIS 3 H HIS 3 -11.770 13.091 -9.239 12 HA HIS 3 HA HIS 3 -14.280 11.748 -8.643 13 HB2 HIS 3 1HB HIS 3 -11.777 10.485 -9.823 14 HB3 HIS 3 2HB HIS 3 -13.443 9.953 -10.012 15 HD1 HIS 3 HD1 HIS 3 -10.898 11.637 -11.938 16 HD2 HIS 3 HD2 HIS 3 -15.049 12.133 -11.277 17 HE1 HIS 3 HE1 HIS 3 -11.788 13.037 -13.909 18 HE2 HIS 3 HE2 HIS 3 -14.317 13.330 -13.509 19 H MET 4 H MET 4 -14.739 10.161 -7.198 20 HA MET 4 HA MET 4 -12.843 9.628 -5.012 21 HB2 MET 4 1HB MET 4 -15.793 9.218 -5.509 22 HB3 MET 4 2HB MET 4 -15.014 8.096 -4.406 23 HG2 MET 4 1HG MET 4 -13.966 10.129 -3.256 24 HG3 MET 4 2HG MET 4 -15.117 11.116 -4.157 25 HE1 MET 4 3HE MET 4 -15.267 11.693 -1.245 26 HE2 MET 4 1HE MET 4 -15.917 10.463 -0.135 27 HE3 MET 4 2HE MET 4 -14.345 10.207 -0.919 28 HA PRO 5 HA PRO 5 -11.544 5.553 -6.232 29 HB2 PRO 5 1HB PRO 5 -11.334 4.182 -3.886 30 HB3 PRO 5 2HB PRO 5 -10.249 5.541 -4.305 31 HG2 PRO 5 1HG PRO 5 -12.701 5.609 -2.534 32 HG3 PRO 5 2HG PRO 5 -11.097 6.342 -2.249 33 HD2 PRO 5 1HD PRO 5 -13.206 7.756 -3.215 34 HD3 PRO 5 2HD PRO 5 -11.531 8.125 -3.681 35 H GLU 6 H GLU 6 -13.082 4.671 -7.472 36 HA GLU 6 HA GLU 6 -15.116 2.908 -6.236 37 HB2 GLU 6 1HB GLU 6 -16.862 3.658 -7.716 38 HB3 GLU 6 2HB GLU 6 -16.289 4.967 -6.690 39 HG2 GLU 6 1HG GLU 6 -14.869 5.769 -8.658 40 HG3 GLU 6 2HG GLU 6 -15.670 4.545 -9.641 41 H GLY 7 H GLY 7 -15.986 1.304 -7.747 42 HA2 GLY 7 1HA GLY 7 -14.683 0.685 -10.254 43 HA3 GLY 7 2HA GLY 7 -14.051 -0.287 -8.923 44 H SER 8 H SER 8 -15.040 -1.808 -10.691 45 HA SER 8 HA SER 8 -17.939 -2.185 -10.582 46 HB2 SER 8 1HB SER 8 -15.805 -3.900 -11.904 47 HB3 SER 8 2HB SER 8 -17.556 -3.967 -12.190 48 HG SER 8 HG SER 8 -16.408 -2.701 -13.766 49 H ALA 9 H ALA 9 -15.116 -4.098 -9.473 50 HA ALA 9 HA ALA 9 -16.724 -5.454 -7.420 51 HB1 ALA 9 3HB ALA 9 -15.390 -7.637 -8.530 52 HB2 ALA 9 1HB ALA 9 -17.102 -7.246 -8.753 53 HB3 ALA 9 2HB ALA 9 -15.909 -6.749 -9.968 54 H SER 10 H SER 10 -15.366 -6.891 -6.073 55 HA SER 10 HA SER 10 -12.838 -5.567 -5.297 56 HB2 SER 10 1HB SER 10 -14.528 -6.005 -3.602 57 HB3 SER 10 2HB SER 10 -14.491 -7.740 -3.954 58 HG SER 10 HG SER 10 -12.454 -7.875 -3.115 59 H LEU 11 H LEU 11 -11.216 -6.186 -6.610 60 HA LEU 11 HA LEU 11 -10.560 -9.096 -6.927 61 HB2 LEU 11 1HB LEU 11 -10.143 -6.684 -8.721 62 HB3 LEU 11 2HB LEU 11 -9.046 -8.034 -8.822 63 HG LEU 11 HG LEU 11 -10.648 -8.210 -10.547 64 HD11 LEU 11 1HD1 LEU 11 -11.270 -10.468 -10.346 65 HD12 LEU 11 2HD1 LEU 11 -11.448 -10.377 -8.583 66 HD13 LEU 11 3HD1 LEU 11 -9.833 -10.303 -9.325 67 HD21 LEU 11 3HD2 LEU 11 -12.889 -8.462 -8.515 68 HD22 LEU 11 1HD2 LEU 11 -13.013 -8.517 -10.280 69 HD23 LEU 11 2HD2 LEU 11 -12.551 -7.004 -9.477 70 H GLN 12 H GLN 12 -8.186 -9.501 -7.153 71 HA GLN 12 HA GLN 12 -6.833 -8.730 -4.750 72 HB2 GLN 12 1HB GLN 12 -6.704 -10.883 -6.266 73 HB3 GLN 12 2HB GLN 12 -5.450 -10.013 -7.134 74 HG2 GLN 12 1HG GLN 12 -5.211 -10.137 -4.124 75 HG3 GLN 12 2HG GLN 12 -5.069 -11.660 -4.980 76 HE21 GLN 12 2HE2 GLN 12 -3.399 -11.704 -6.874 77 HE22 GLN 12 1HE2 GLN 12 -1.923 -10.809 -6.524 78 H LEU 13 H LEU 13 -5.014 -7.416 -4.408 79 HA LEU 13 HA LEU 13 -4.969 -5.012 -5.942 80 HB2 LEU 13 1HB LEU 13 -4.482 -5.539 -3.390 81 HB3 LEU 13 2HB LEU 13 -2.829 -5.730 -3.935 82 HG LEU 13 HG LEU 13 -3.215 -3.546 -3.015 83 HD11 LEU 13 1HD1 LEU 13 -2.972 -3.054 -5.993 84 HD12 LEU 13 2HD1 LEU 13 -1.668 -3.744 -4.995 85 HD13 LEU 13 3HD1 LEU 13 -2.296 -2.122 -4.649 86 HD21 LEU 13 3HD2 LEU 13 -5.673 -3.458 -3.605 87 HD22 LEU 13 1HD2 LEU 13 -5.214 -2.931 -5.228 88 HD23 LEU 13 2HD2 LEU 13 -4.786 -1.938 -3.826 89 H ALA 14 H ALA 14 -3.891 -4.524 -7.697 90 HA ALA 14 HA ALA 14 -1.227 -5.687 -8.304 91 HB1 ALA 14 3HB ALA 14 -2.894 -7.157 -9.382 92 HB2 ALA 14 1HB ALA 14 -3.612 -5.756 -10.208 93 HB3 ALA 14 2HB ALA 14 -1.956 -6.275 -10.595 94 H VAL 15 H VAL 15 -0.333 -4.650 -10.367 95 HA VAL 15 HA VAL 15 -0.054 -1.831 -9.975 96 HB VAL 15 HB VAL 15 0.670 -3.411 -12.471 97 HG11 VAL 15 1HG1 VAL 15 1.682 -0.745 -11.354 98 HG12 VAL 15 2HG1 VAL 15 2.371 -1.604 -12.747 99 HG13 VAL 15 3HG1 VAL 15 0.729 -0.971 -12.840 100 HG21 VAL 15 3HG2 VAL 15 2.949 -3.507 -11.454 101 HG22 VAL 15 1HG2 VAL 15 2.289 -2.830 -9.947 102 HG23 VAL 15 2HG2 VAL 15 1.770 -4.429 -10.525 103 H GLY 16 H GLY 16 -1.209 -0.169 -10.634 104 HA2 GLY 16 1HA GLY 16 -2.534 1.140 -12.082 105 HA3 GLY 16 2HA GLY 16 -3.053 -0.295 -12.955 106 H ASP 17 H ASP 17 -3.526 -1.263 -9.834 107 HA ASP 17 HA ASP 17 -6.375 -0.652 -9.871 108 HB2 ASP 17 1HB ASP 17 -4.999 -2.724 -8.890 109 HB3 ASP 17 2HB ASP 17 -5.012 -1.748 -7.423 110 H ARG 18 H ARG 18 -7.349 0.152 -7.734 111 HA ARG 18 HA ARG 18 -6.232 2.858 -7.067 112 HB2 ARG 18 1HB ARG 18 -8.947 1.533 -7.040 113 HB3 ARG 18 2HB ARG 18 -8.669 2.736 -5.804 114 HG2 ARG 18 1HG ARG 18 -7.881 3.500 -8.612 115 HG3 ARG 18 2HG ARG 18 -9.615 3.340 -8.245 116 HD2 ARG 18 1HD ARG 18 -9.204 4.857 -6.236 117 HD3 ARG 18 2HD ARG 18 -7.600 5.191 -6.918 118 HE ARG 18 HE ARG 18 -9.468 5.637 -8.982 119 HH11 ARG 18 1HH1 ARG 18 -8.764 7.138 -5.909 120 HH12 ARG 18 2HH1 ARG 18 -9.537 8.638 -6.368 121 HH21 ARG 18 1HH2 ARG 18 -10.452 7.567 -9.483 122 HH22 ARG 18 2HH2 ARG 18 -10.457 8.855 -8.309 123 H VAL 19 H VAL 19 -6.219 3.617 -4.943 124 HA VAL 19 HA VAL 19 -6.420 1.742 -2.708 125 HB VAL 19 HB VAL 19 -4.179 1.259 -3.128 126 HG11 VAL 19 1HG1 VAL 19 -3.857 4.138 -3.897 127 HG12 VAL 19 2HG1 VAL 19 -2.456 3.225 -3.335 128 HG13 VAL 19 3HG1 VAL 19 -3.358 2.680 -4.764 129 HG21 VAL 19 3HG2 VAL 19 -4.769 2.176 -0.763 130 HG22 VAL 19 1HG2 VAL 19 -3.067 1.977 -1.214 131 HG23 VAL 19 2HG2 VAL 19 -3.802 3.585 -1.222 132 H VAL 20 H VAL 20 -7.249 2.682 -1.031 133 HA VAL 20 HA VAL 20 -6.898 5.546 -0.489 134 HB VAL 20 HB VAL 20 -8.947 5.596 -1.661 135 HG11 VAL 20 1HG1 VAL 20 -9.676 3.126 -0.125 136 HG12 VAL 20 2HG1 VAL 20 -10.971 4.242 -0.586 137 HG13 VAL 20 3HG1 VAL 20 -9.931 3.529 -1.831 138 HG21 VAL 20 3HG2 VAL 20 -8.767 6.879 0.515 139 HG22 VAL 20 1HG2 VAL 20 -10.400 6.604 -0.091 140 HG23 VAL 20 2HG2 VAL 20 -9.788 5.616 1.242 141 H TYR 21 H TYR 21 -6.827 5.986 1.658 142 HA TYR 21 HA TYR 21 -6.475 3.695 3.547 143 HB2 TYR 21 1HB TYR 21 -5.452 6.420 3.203 144 HB3 TYR 21 2HB TYR 21 -6.078 6.173 4.817 145 HD1 TYR 21 HD1 TYR 21 -4.159 3.837 2.522 146 HD2 TYR 21 HD2 TYR 21 -4.270 6.011 6.257 147 HE1 TYR 21 HE1 TYR 21 -1.943 2.839 3.199 148 HE2 TYR 21 HE2 TYR 21 -2.071 5.075 6.870 149 HH TYR 21 HH TYR 21 -0.699 2.563 5.797 150 HA PRO 22 HA PRO 22 -10.337 4.095 5.503 151 HB2 PRO 22 1HB PRO 22 -9.859 3.716 8.183 152 HB3 PRO 22 2HB PRO 22 -9.666 2.438 6.951 153 HG2 PRO 22 1HG PRO 22 -7.515 4.200 8.148 154 HG3 PRO 22 2HG PRO 22 -7.488 2.425 7.900 155 HD2 PRO 22 1HD PRO 22 -6.318 4.162 6.135 156 HD3 PRO 22 2HD PRO 22 -7.113 2.668 5.581 157 H ASN 23 H ASN 23 -7.883 6.285 6.689 158 HA ASN 23 HA ASN 23 -9.726 8.535 6.700 159 HB2 ASN 23 1HB ASN 23 -10.089 7.495 8.968 160 HB3 ASN 23 2HB ASN 23 -8.375 7.690 9.314 161 HD21 ASN 23 2HD2 ASN 23 -11.047 9.798 7.999 162 HD22 ASN 23 1HD2 ASN 23 -10.666 11.112 9.106 163 H GLN 24 H GLN 24 -7.933 8.564 4.902 164 HA GLN 24 HA GLN 24 -5.909 10.523 5.794 165 HB2 GLN 24 1HB GLN 24 -5.069 8.007 5.821 166 HB3 GLN 24 2HB GLN 24 -4.786 8.287 4.110 167 HG2 GLN 24 1HG GLN 24 -3.698 10.198 6.198 168 HG3 GLN 24 2HG GLN 24 -2.948 8.632 5.941 169 HE21 GLN 24 2HE2 GLN 24 -0.998 9.809 5.362 170 HE22 GLN 24 1HE2 GLN 24 -0.833 10.391 3.720 171 H GLY 25 H GLY 25 -6.626 8.612 2.814 172 HA2 GLY 25 1HA GLY 25 -7.915 10.452 1.245 173 HA3 GLY 25 2HA GLY 25 -6.216 10.925 1.098 174 H VAL 26 H VAL 26 -7.116 10.385 -1.157 175 HA VAL 26 HA VAL 26 -6.925 7.561 -1.995 176 HB VAL 26 HB VAL 26 -7.247 8.473 -4.279 177 HG11 VAL 26 1HG1 VAL 26 -9.291 9.319 -2.188 178 HG12 VAL 26 2HG1 VAL 26 -9.597 9.213 -3.928 179 HG13 VAL 26 3HG1 VAL 26 -9.170 7.750 -3.014 180 HG21 VAL 26 3HG2 VAL 26 -7.633 11.192 -2.946 181 HG22 VAL 26 1HG2 VAL 26 -6.289 10.751 -4.024 182 HG23 VAL 26 2HG2 VAL 26 -7.940 10.787 -4.642 183 H CYS 27 H CYS 27 -5.373 6.680 -3.280 184 HA CYS 27 HA CYS 27 -2.853 8.147 -3.886 185 HB2 CYS 27 1HB CYS 27 -3.235 5.566 -2.307 186 HB3 CYS 27 2HB CYS 27 -1.675 6.033 -3.010 187 HG CYS 27 HG CYS 27 -2.104 6.456 -0.284 188 H ARG 28 H ARG 28 -1.450 6.512 -5.260 189 HA ARG 28 HA ARG 28 -3.130 4.801 -7.082 190 HB2 ARG 28 1HB ARG 28 -1.890 7.335 -7.746 191 HB3 ARG 28 2HB ARG 28 -0.902 6.103 -8.475 192 HG2 ARG 28 1HG ARG 28 -2.307 6.218 -10.196 193 HG3 ARG 28 2HG ARG 28 -3.400 5.209 -9.248 194 HD2 ARG 28 1HD ARG 28 -4.609 7.191 -8.462 195 HD3 ARG 28 2HD ARG 28 -3.377 8.255 -9.169 196 HE ARG 28 HE ARG 28 -4.674 6.493 -11.114 197 HH11 ARG 28 1HH1 ARG 28 -4.915 9.644 -9.622 198 HH12 ARG 28 2HH1 ARG 28 -5.735 10.335 -10.995 199 HH21 ARG 28 1HH2 ARG 28 -5.714 7.425 -12.834 200 HH22 ARG 28 2HH2 ARG 28 -6.185 9.095 -12.757 201 H VAL 29 H VAL 29 -2.199 2.873 -7.582 202 HA VAL 29 HA VAL 29 0.226 1.954 -6.265 203 HB VAL 29 HB VAL 29 -1.353 0.642 -8.513 204 HG11 VAL 29 1HG1 VAL 29 -0.287 -1.454 -7.629 205 HG12 VAL 29 2HG1 VAL 29 0.893 -0.346 -8.334 206 HG13 VAL 29 3HG1 VAL 29 0.731 -0.467 -6.567 207 HG21 VAL 29 3HG2 VAL 29 -2.369 -0.713 -6.741 208 HG22 VAL 29 1HG2 VAL 29 -1.479 0.189 -5.494 209 HG23 VAL 29 2HG2 VAL 29 -2.735 0.985 -6.464 210 H SER 30 H SER 30 2.274 1.999 -6.901 211 HA SER 30 HA SER 30 2.917 2.955 -9.671 212 HB2 SER 30 1HB SER 30 3.415 4.339 -7.436 213 HB3 SER 30 2HB SER 30 4.836 3.292 -7.378 214 HG SER 30 HG SER 30 5.120 4.017 -9.696 215 H ALA 31 H ALA 31 4.219 0.929 -6.987 216 HA ALA 31 HA ALA 31 4.990 -1.186 -8.845 217 HB1 ALA 31 3HB ALA 31 6.972 0.310 -8.944 218 HB2 ALA 31 1HB ALA 31 7.089 0.282 -7.170 219 HB3 ALA 31 2HB ALA 31 7.366 -1.202 -8.109 220 H ILE 32 H ILE 32 5.785 -3.134 -7.575 221 HA ILE 32 HA ILE 32 5.157 -3.168 -4.682 222 HB ILE 32 HB ILE 32 3.793 -5.054 -6.651 223 HG12 ILE 32 1HG1 ILE 32 2.500 -2.897 -4.936 224 HG13 ILE 32 2HG1 ILE 32 2.718 -2.804 -6.671 225 HG21 ILE 32 1HG2 ILE 32 3.651 -6.460 -4.905 226 HG22 ILE 32 2HG2 ILE 32 4.380 -5.299 -3.792 227 HG23 ILE 32 3HG2 ILE 32 2.659 -5.291 -4.032 228 HD11 ILE 32 3HD1 ILE 32 1.066 -5.055 -5.533 229 HD12 ILE 32 1HD1 ILE 32 0.424 -3.432 -5.836 230 HD13 ILE 32 2HD1 ILE 32 1.104 -4.376 -7.172 231 H ASP 33 H ASP 33 6.526 -4.553 -3.598 232 HA ASP 33 HA ASP 33 7.910 -6.707 -5.047 233 HB2 ASP 33 1HB ASP 33 9.245 -4.437 -5.165 234 HB3 ASP 33 2HB ASP 33 9.605 -4.749 -3.471 235 H VAL 34 H VAL 34 9.426 -7.932 -3.374 236 HA VAL 34 HA VAL 34 8.135 -8.030 -0.679 237 HB VAL 34 HB VAL 34 7.206 -9.868 -1.826 238 HG11 VAL 34 1HG1 VAL 34 8.523 -11.684 -2.856 239 HG12 VAL 34 2HG1 VAL 34 8.742 -10.158 -3.719 240 HG13 VAL 34 3HG1 VAL 34 10.010 -10.746 -2.618 241 HG21 VAL 34 3HG2 VAL 34 7.779 -11.688 -0.446 242 HG22 VAL 34 1HG2 VAL 34 9.474 -11.179 -0.287 243 HG23 VAL 34 2HG2 VAL 34 8.199 -10.277 0.530 244 H LYS 35 H LYS 35 9.414 -8.290 1.029 245 HA LYS 35 HA LYS 35 12.248 -8.935 0.803 246 HB2 LYS 35 1HB LYS 35 13.019 -6.846 1.959 247 HB3 LYS 35 2HB LYS 35 12.501 -6.596 0.298 248 HG2 LYS 35 1HG LYS 35 10.501 -5.521 0.917 249 HG3 LYS 35 2HG LYS 35 10.544 -6.115 2.574 250 HD2 LYS 35 1HD LYS 35 12.653 -4.187 1.523 251 HD3 LYS 35 2HD LYS 35 11.091 -3.656 2.170 252 HE2 LYS 35 1HE LYS 35 11.651 -5.141 4.230 253 HE3 LYS 35 2HE LYS 35 13.314 -5.128 3.633 254 HZ1 LYS 35 3HZ LYS 35 13.235 -2.675 3.746 255 HZ2 LYS 35 1HZ LYS 35 12.921 -3.315 5.213 256 HZ3 LYS 35 2HZ LYS 35 11.701 -2.715 4.311 257 H GLU 36 H GLU 36 13.276 -9.333 2.808 258 HA GLU 36 HA GLU 36 11.442 -10.190 4.978 259 HB2 GLU 36 1HB GLU 36 14.005 -11.051 4.039 260 HB3 GLU 36 2HB GLU 36 14.271 -10.374 5.642 261 HG2 GLU 36 1HG GLU 36 12.178 -11.806 6.319 262 HG3 GLU 36 2HG GLU 36 12.523 -12.686 4.827 263 H VAL 37 H VAL 37 10.734 -8.647 6.390 264 HA VAL 37 HA VAL 37 12.725 -6.638 7.406 265 HB VAL 37 HB VAL 37 10.895 -5.624 6.084 266 HG11 VAL 37 1HG1 VAL 37 9.042 -6.487 8.342 267 HG12 VAL 37 2HG1 VAL 37 8.655 -5.425 6.982 268 HG13 VAL 37 3HG1 VAL 37 9.033 -7.138 6.689 269 HG21 VAL 37 3HG2 VAL 37 10.848 -4.880 9.034 270 HG22 VAL 37 1HG2 VAL 37 12.089 -4.378 7.862 271 HG23 VAL 37 2HG2 VAL 37 10.412 -3.844 7.665 272 H ALA 38 H ALA 38 13.093 -6.590 9.553 273 HA ALA 38 HA ALA 38 13.290 -7.448 11.656 274 HB1 ALA 38 3HB ALA 38 10.254 -7.294 11.555 275 HB2 ALA 38 1HB ALA 38 11.284 -7.180 12.998 276 HB3 ALA 38 2HB ALA 38 11.340 -5.904 11.767 277 H GLY 39 H GLY 39 13.271 -9.554 9.628 278 HA2 GLY 39 1HA GLY 39 13.571 -11.878 9.743 279 HA3 GLY 39 2HA GLY 39 12.795 -11.922 11.316 280 H GLN 40 H GLN 40 11.034 -10.336 8.706 281 HA GLN 40 HA GLN 40 9.385 -12.743 8.145 282 HB2 GLN 40 1HB GLN 40 8.425 -11.644 10.100 283 HB3 GLN 40 2HB GLN 40 8.353 -10.097 9.262 284 HG2 GLN 40 1HG GLN 40 6.537 -10.710 7.964 285 HG3 GLN 40 2HG GLN 40 6.979 -12.419 7.926 286 HE21 GLN 40 2HE2 GLN 40 6.565 -13.751 9.892 287 HE22 GLN 40 1HE2 GLN 40 5.256 -13.241 10.951 288 H LYS 41 H LYS 41 9.345 -12.942 6.031 289 HA LYS 41 HA LYS 41 9.399 -10.580 4.217 290 HB2 LYS 41 1HB LYS 41 9.505 -12.367 2.399 291 HB3 LYS 41 2HB LYS 41 10.936 -12.140 3.373 292 HG2 LYS 41 1HG LYS 41 10.747 -14.153 4.466 293 HG3 LYS 41 2HG LYS 41 8.995 -14.226 4.354 294 HD2 LYS 41 1HD LYS 41 10.842 -14.689 1.984 295 HD3 LYS 41 2HD LYS 41 10.143 -15.954 3.013 296 HE2 LYS 41 1HE LYS 41 7.835 -14.851 2.458 297 HE3 LYS 41 2HE LYS 41 8.703 -14.027 1.158 298 HZ1 LYS 41 3HZ LYS 41 9.459 -16.455 0.599 299 HZ2 LYS 41 1HZ LYS 41 7.977 -15.957 0.128 300 HZ3 LYS 41 2HZ LYS 41 8.136 -16.896 1.451 301 H LEU 42 H LEU 42 7.785 -9.883 3.045 302 HA LEU 42 HA LEU 42 5.508 -11.518 2.345 303 HB2 LEU 42 1HB LEU 42 3.828 -10.581 3.709 304 HB3 LEU 42 2HB LEU 42 5.150 -10.837 4.811 305 HG LEU 42 HG LEU 42 5.690 -8.269 3.988 306 HD11 LEU 42 1HD1 LEU 42 3.321 -8.560 2.807 307 HD12 LEU 42 2HD1 LEU 42 3.829 -7.078 3.580 308 HD13 LEU 42 3HD1 LEU 42 2.722 -8.229 4.426 309 HD21 LEU 42 3HD2 LEU 42 5.720 -8.970 6.305 310 HD22 LEU 42 1HD2 LEU 42 3.951 -9.150 6.318 311 HD23 LEU 42 2HD2 LEU 42 4.695 -7.541 6.135 312 H THR 43 H THR 43 3.949 -10.256 0.944 313 HA THR 43 HA THR 43 5.318 -8.577 -0.932 314 HB THR 43 HB THR 43 2.294 -8.784 -0.607 315 HG1 THR 43 HG1 THR 43 4.065 -10.634 -1.842 316 HG21 THR 43 3HG2 THR 43 4.154 -8.429 -2.996 317 HG22 THR 43 1HG2 THR 43 2.920 -7.296 -2.386 318 HG23 THR 43 2HG2 THR 43 2.427 -8.825 -3.132 319 H PHE 44 H PHE 44 5.874 -6.434 -0.651 320 HA PHE 44 HA PHE 44 4.148 -4.689 1.072 321 HB2 PHE 44 1HB PHE 44 7.072 -4.468 0.283 322 HB3 PHE 44 2HB PHE 44 6.149 -3.194 1.075 323 HD1 PHE 44 HD2 PHE 44 5.176 -3.536 3.362 324 HD2 PHE 44 HD1 PHE 44 8.017 -6.311 1.628 325 HE1 PHE 44 HE2 PHE 44 5.551 -4.600 5.617 326 HE2 PHE 44 HE1 PHE 44 8.290 -7.367 3.854 327 HZ PHE 44 HZ PHE 44 7.019 -6.553 5.797 328 H VAL 45 H VAL 45 2.763 -3.500 -0.040 329 HA VAL 45 HA VAL 45 3.114 -3.029 -2.923 330 HB VAL 45 HB VAL 45 1.010 -1.739 -2.781 331 HG11 VAL 45 1HG1 VAL 45 0.904 -4.074 -3.393 332 HG12 VAL 45 2HG1 VAL 45 0.968 -4.576 -1.696 333 HG13 VAL 45 3HG1 VAL 45 -0.455 -3.713 -2.332 334 HG21 VAL 45 3HG2 VAL 45 -0.327 -1.584 -0.948 335 HG22 VAL 45 1HG2 VAL 45 0.487 -2.871 -0.028 336 HG23 VAL 45 2HG2 VAL 45 1.247 -1.283 -0.195 337 H THR 46 H THR 46 3.653 -0.993 -3.906 338 HA THR 46 HA THR 46 4.370 1.213 -2.035 339 HB THR 46 HB THR 46 5.856 0.960 -4.614 340 HG1 THR 46 HG1 THR 46 6.518 -0.923 -4.031 341 HG21 THR 46 3HG2 THR 46 5.962 2.788 -2.605 342 HG22 THR 46 1HG2 THR 46 7.366 2.333 -3.586 343 HG23 THR 46 2HG2 THR 46 7.132 1.610 -1.982 344 H MET 47 H MET 47 3.121 2.912 -2.289 345 HA MET 47 HA MET 47 2.003 3.569 -4.983 346 HB2 MET 47 1HB MET 47 0.639 3.763 -2.271 347 HB3 MET 47 2HB MET 47 -0.056 4.267 -3.789 348 HG2 MET 47 1HG MET 47 -0.719 2.204 -4.328 349 HG3 MET 47 2HG MET 47 0.843 1.495 -4.012 350 HE1 MET 47 3HE MET 47 1.655 1.152 -1.355 351 HE2 MET 47 1HE MET 47 0.733 2.463 -0.573 352 HE3 MET 47 2HE MET 47 0.490 0.798 -0.062 353 H ARG 48 H ARG 48 1.324 5.819 -5.103 354 HA ARG 48 HA ARG 48 2.771 7.727 -3.313 355 HB2 ARG 48 1HB ARG 48 3.082 7.429 -6.317 356 HB3 ARG 48 2HB ARG 48 3.223 9.020 -5.588 357 HG2 ARG 48 1HG ARG 48 5.251 8.682 -4.804 358 HG3 ARG 48 2HG ARG 48 4.880 7.114 -4.102 359 HD2 ARG 48 1HD ARG 48 5.543 5.925 -5.958 360 HD3 ARG 48 2HD ARG 48 5.199 7.250 -7.086 361 HE ARG 48 HE ARG 48 7.295 8.164 -5.461 362 HH11 ARG 48 1HH1 ARG 48 6.907 5.609 -7.813 363 HH12 ARG 48 2HH1 ARG 48 8.571 5.710 -8.326 364 HH21 ARG 48 1HH2 ARG 48 9.370 8.308 -6.209 365 HH22 ARG 48 2HH2 ARG 48 9.915 7.224 -7.451 366 H ARG 49 H ARG 49 2.038 9.833 -3.438 367 HA ARG 49 HA ARG 49 -0.779 10.220 -4.421 368 HB2 ARG 49 1HB ARG 49 -1.160 11.705 -2.465 369 HB3 ARG 49 2HB ARG 49 -1.009 9.995 -2.099 370 HG2 ARG 49 1HG ARG 49 1.197 10.250 -1.184 371 HG3 ARG 49 2HG ARG 49 1.251 11.959 -1.634 372 HD2 ARG 49 1HD ARG 49 -0.783 10.743 0.270 373 HD3 ARG 49 2HD ARG 49 0.725 11.509 0.783 374 HE ARG 49 HE ARG 49 -0.447 13.477 -0.754 375 HH11 ARG 49 1HH1 ARG 49 -1.785 11.650 1.926 376 HH12 ARG 49 2HH1 ARG 49 -2.623 13.036 2.542 377 HH21 ARG 49 1HH2 ARG 49 -1.578 15.231 0.187 378 HH22 ARG 49 2HH2 ARG 49 -2.636 14.890 1.497 379 H GLU 50 H GLU 50 -0.575 11.404 -6.147 380 HA GLU 50 HA GLU 50 1.446 13.377 -6.639 381 HB2 GLU 50 1HB GLU 50 0.042 14.088 -8.509 382 HB3 GLU 50 2HB GLU 50 0.280 12.343 -8.476 383 HG2 GLU 50 1HG GLU 50 -1.940 11.884 -7.988 384 HG3 GLU 50 2HG GLU 50 -2.203 13.404 -7.147 385 H GLU 51 H GLU 51 -1.406 13.572 -4.768 386 HA GLU 51 HA GLU 51 -2.208 16.245 -4.773 387 HB2 GLU 51 1HB GLU 51 -1.975 14.278 -2.459 388 HB3 GLU 51 2HB GLU 51 -2.920 15.760 -2.396 389 HG2 GLU 51 1HG GLU 51 -3.509 13.687 -4.544 390 HG3 GLU 51 2HG GLU 51 -4.047 13.438 -2.895 391 H ASP 52 H ASP 52 0.389 14.776 -2.882 392 HA ASP 52 HA ASP 52 1.553 17.462 -2.187 393 HB2 ASP 52 1HB ASP 52 1.217 15.003 -0.431 394 HB3 ASP 52 2HB ASP 52 2.352 16.288 -0.055 395 H GLY 53 H GLY 53 2.067 14.724 -3.975 396 HA2 GLY 53 1HA GLY 53 3.883 13.775 -4.999 397 HA3 GLY 53 2HA GLY 53 4.877 15.119 -4.431 398 H ALA 54 H ALA 54 3.055 12.755 -2.434 399 HA ALA 54 HA ALA 54 5.635 12.029 -1.074 400 HB1 ALA 54 3HB ALA 54 4.323 13.168 0.496 401 HB2 ALA 54 1HB ALA 54 2.817 12.405 -0.026 402 HB3 ALA 54 2HB ALA 54 4.023 11.461 0.865 403 H VAL 55 H VAL 55 5.640 9.879 -0.045 404 HA VAL 55 HA VAL 55 4.517 7.789 -1.874 405 HB VAL 55 HB VAL 55 6.377 6.404 -1.439 406 HG11 VAL 55 1HG1 VAL 55 7.747 7.382 -2.921 407 HG12 VAL 55 2HG1 VAL 55 6.598 8.729 -2.925 408 HG13 VAL 55 3HG1 VAL 55 8.035 8.807 -1.905 409 HG21 VAL 55 3HG2 VAL 55 6.923 6.854 0.879 410 HG22 VAL 55 1HG2 VAL 55 8.358 7.130 -0.110 411 HG23 VAL 55 2HG2 VAL 55 7.423 8.515 0.490 412 H VAL 56 H VAL 56 3.874 5.774 -0.990 413 HA VAL 56 HA VAL 56 3.687 5.467 1.922 414 HB VAL 56 HB VAL 56 1.709 6.721 1.576 415 HG11 VAL 56 1HG1 VAL 56 1.472 5.596 -1.005 416 HG12 VAL 56 2HG1 VAL 56 0.058 5.033 -0.108 417 HG13 VAL 56 3HG1 VAL 56 0.420 6.764 -0.213 418 HG21 VAL 56 3HG2 VAL 56 0.846 3.820 1.805 419 HG22 VAL 56 1HG2 VAL 56 1.600 4.767 3.108 420 HG23 VAL 56 2HG2 VAL 56 0.032 5.258 2.452 421 H MET 57 H MET 57 4.202 3.428 2.383 422 HA MET 57 HA MET 57 3.420 1.297 0.498 423 HB2 MET 57 1HB MET 57 5.523 0.220 0.599 424 HB3 MET 57 2HB MET 57 5.813 1.923 0.209 425 HG2 MET 57 1HG MET 57 6.301 2.291 2.653 426 HG3 MET 57 2HG MET 57 6.196 0.539 2.875 427 HE1 MET 57 3HE MET 57 8.874 0.385 3.867 428 HE2 MET 57 1HE MET 57 10.011 1.584 3.207 429 HE3 MET 57 2HE MET 57 8.460 2.116 3.892 430 H VAL 58 H VAL 58 2.685 -0.567 1.374 431 HA VAL 58 HA VAL 58 2.787 -0.909 4.295 432 HB VAL 58 HB VAL 58 0.405 -1.278 4.625 433 HG11 VAL 58 1HG1 VAL 58 1.169 1.045 4.918 434 HG12 VAL 58 2HG1 VAL 58 0.733 1.393 3.225 435 HG13 VAL 58 3HG1 VAL 58 -0.518 0.923 4.381 436 HG21 VAL 58 3HG2 VAL 58 -0.019 -0.443 1.772 437 HG22 VAL 58 1HG2 VAL 58 -0.218 -2.108 2.392 438 HG23 VAL 58 2HG2 VAL 58 -1.266 -0.829 3.000 439 HA PRO 59 HA PRO 59 3.055 -5.166 3.166 440 HB2 PRO 59 1HB PRO 59 2.117 -6.389 5.435 441 HB3 PRO 59 2HB PRO 59 3.684 -5.587 5.359 442 HG2 PRO 59 1HG PRO 59 1.078 -4.452 6.385 443 HG3 PRO 59 2HG PRO 59 2.696 -4.412 7.180 444 HD2 PRO 59 1HD PRO 59 1.814 -2.310 5.810 445 HD3 PRO 59 2HD PRO 59 3.508 -2.832 5.623 446 H GLU 60 H GLU 60 1.752 -6.182 1.696 447 HA GLU 60 HA GLU 60 -1.148 -5.995 1.710 448 HB2 GLU 60 1HB GLU 60 0.898 -6.974 -0.091 449 HB3 GLU 60 2HB GLU 60 -0.363 -8.188 0.048 450 HG2 GLU 60 1HG GLU 60 -0.867 -5.248 -0.511 451 HG3 GLU 60 2HG GLU 60 -0.633 -6.441 -1.779 452 H GLY 61 H GLY 61 1.067 -8.486 2.879 453 HA2 GLY 61 1HA GLY 61 -1.158 -10.295 3.704 454 HA3 GLY 61 2HA GLY 61 0.574 -10.631 3.831 455 H LYS 62 H LYS 62 -0.025 -7.572 5.043 456 HA LYS 62 HA LYS 62 -0.598 -8.472 7.843 457 HB2 LYS 62 1HB LYS 62 1.961 -8.076 6.968 458 HB3 LYS 62 2HB LYS 62 1.530 -6.452 7.522 459 HG2 LYS 62 1HG LYS 62 1.157 -7.194 9.745 460 HG3 LYS 62 2HG LYS 62 1.436 -8.887 9.279 461 HD2 LYS 62 1HD LYS 62 3.710 -8.617 9.013 462 HD3 LYS 62 2HD LYS 62 3.625 -6.938 8.488 463 HE2 LYS 62 1HE LYS 62 2.800 -7.559 11.323 464 HE3 LYS 62 2HE LYS 62 4.517 -7.704 10.942 465 HZ1 LYS 62 3HZ LYS 62 2.965 -5.252 10.304 466 HZ2 LYS 62 1HZ LYS 62 4.592 -5.436 10.274 467 HZ3 LYS 62 2HZ LYS 62 3.798 -5.437 11.696 468 H VAL 63 H VAL 63 -1.561 -6.405 5.422 469 HA VAL 63 HA VAL 63 -2.137 -3.951 6.539 470 HB VAL 63 HB VAL 63 -4.328 -4.050 5.327 471 HG11 VAL 63 1HG1 VAL 63 -3.491 -3.542 3.258 472 HG12 VAL 63 2HG1 VAL 63 -2.149 -3.167 4.356 473 HG13 VAL 63 3HG1 VAL 63 -2.132 -4.654 3.384 474 HG21 VAL 63 3HG2 VAL 63 -4.244 -6.744 5.297 475 HG22 VAL 63 1HG2 VAL 63 -5.105 -5.776 4.093 476 HG23 VAL 63 2HG2 VAL 63 -3.500 -6.422 3.733 477 H LEU 64 H LEU 64 -3.607 -6.972 7.412 478 HA LEU 64 HA LEU 64 -5.903 -6.157 8.808 479 HB2 LEU 64 1HB LEU 64 -4.083 -8.411 9.709 480 HB3 LEU 64 2HB LEU 64 -5.827 -8.288 9.872 481 HG LEU 64 HG LEU 64 -4.228 -8.893 7.331 482 HD11 LEU 64 1HD1 LEU 64 -5.307 -11.025 7.444 483 HD12 LEU 64 2HD1 LEU 64 -6.398 -10.495 8.745 484 HD13 LEU 64 3HD1 LEU 64 -4.661 -10.701 9.062 485 HD21 LEU 64 3HD2 LEU 64 -7.234 -8.422 7.645 486 HD22 LEU 64 1HD2 LEU 64 -6.469 -9.194 6.237 487 HD23 LEU 64 2HD2 LEU 64 -6.117 -7.504 6.615 488 H ALA 65 H ALA 65 -2.524 -5.960 9.790 489 HA ALA 65 HA ALA 65 -2.993 -5.332 12.591 490 HB1 ALA 65 3HB ALA 65 -0.511 -4.955 10.852 491 HB2 ALA 65 1HB ALA 65 -0.583 -4.957 12.624 492 HB3 ALA 65 2HB ALA 65 -0.934 -6.444 11.724 493 H ILE 66 H ILE 66 -2.031 -3.386 9.724 494 HA ILE 66 HA ILE 66 -2.076 -0.841 11.117 495 HB ILE 66 HB ILE 66 -2.256 -1.336 8.120 496 HG12 ILE 66 1HG1 ILE 66 0.337 -0.500 8.575 497 HG13 ILE 66 2HG1 ILE 66 0.063 -1.458 10.021 498 HG21 ILE 66 1HG2 ILE 66 -1.318 1.119 9.671 499 HG22 ILE 66 2HG2 ILE 66 -1.318 0.928 7.904 500 HG23 ILE 66 3HG2 ILE 66 -2.841 0.990 8.781 501 HD11 ILE 66 3HD1 ILE 66 -0.249 -2.358 7.119 502 HD12 ILE 66 1HD1 ILE 66 1.063 -2.786 8.242 503 HD13 ILE 66 2HD1 ILE 66 -0.578 -3.391 8.529 504 H GLY 67 H GLY 67 -4.514 -2.680 9.354 505 HA2 GLY 67 1HA GLY 67 -6.844 -2.545 9.590 506 HA3 GLY 67 2HA GLY 67 -6.710 -0.959 10.345 507 H VAL 68 H VAL 68 -4.838 -1.022 7.568 508 HA VAL 68 HA VAL 68 -6.675 0.728 6.081 509 HB VAL 68 HB VAL 68 -4.740 1.078 4.571 510 HG11 VAL 68 1HG1 VAL 68 -4.591 1.604 7.525 511 HG12 VAL 68 2HG1 VAL 68 -3.197 2.019 6.516 512 HG13 VAL 68 3HG1 VAL 68 -4.762 2.695 6.152 513 HG21 VAL 68 3HG2 VAL 68 -3.395 -0.785 4.458 514 HG22 VAL 68 1HG2 VAL 68 -2.445 0.214 5.560 515 HG23 VAL 68 2HG2 VAL 68 -3.438 -1.110 6.189 516 H ARG 69 H ARG 69 -7.980 0.129 4.400 517 HA ARG 69 HA ARG 69 -7.408 -2.531 3.094 518 HB2 ARG 69 1HB ARG 69 -9.808 -1.566 4.416 519 HB3 ARG 69 2HB ARG 69 -10.142 -1.711 2.711 520 HG2 ARG 69 1HG ARG 69 -10.696 -3.795 3.548 521 HG3 ARG 69 2HG ARG 69 -9.123 -4.075 2.818 522 HD2 ARG 69 1HD ARG 69 -8.206 -4.691 4.800 523 HD3 ARG 69 2HD ARG 69 -8.815 -3.269 5.634 524 HE ARG 69 HE ARG 69 -9.987 -5.935 5.617 525 HH11 ARG 69 1HH1 ARG 69 -10.845 -2.575 6.100 526 HH12 ARG 69 2HH1 ARG 69 -12.341 -2.975 6.893 527 HH21 ARG 69 1HH2 ARG 69 -11.907 -6.379 6.634 528 HH22 ARG 69 2HH2 ARG 69 -12.912 -5.077 7.193 529 H LYS 70 H LYS 70 -6.453 -2.155 1.257 530 HA LYS 70 HA LYS 70 -7.277 0.172 -0.441 531 HB2 LYS 70 1HB LYS 70 -5.230 -0.325 -1.717 532 HB3 LYS 70 2HB LYS 70 -4.982 0.111 -0.030 533 HG2 LYS 70 1HG LYS 70 -5.099 -2.814 -0.317 534 HG3 LYS 70 2HG LYS 70 -3.927 -2.113 -1.422 535 HD2 LYS 70 1HD LYS 70 -4.001 -1.641 1.593 536 HD3 LYS 70 2HD LYS 70 -2.944 -2.760 0.725 537 HE2 LYS 70 1HE LYS 70 -1.480 -1.106 0.586 538 HE3 LYS 70 2HE LYS 70 -2.470 -0.482 -0.717 539 HZ1 LYS 70 3HZ LYS 70 -1.994 1.239 0.954 540 HZ2 LYS 70 1HZ LYS 70 -2.680 0.349 2.147 541 HZ3 LYS 70 2HZ LYS 70 -3.603 0.952 0.947 542 H VAL 71 H VAL 71 -8.977 -0.264 -1.607 543 HA VAL 71 HA VAL 71 -8.911 -2.399 -3.620 544 HB VAL 71 HB VAL 71 -11.344 -2.215 -1.800 545 HG11 VAL 71 1HG1 VAL 71 -10.431 -4.241 -3.879 546 HG12 VAL 71 2HG1 VAL 71 -11.736 -4.562 -2.727 547 HG13 VAL 71 3HG1 VAL 71 -11.932 -3.274 -3.882 548 HG21 VAL 71 3HG2 VAL 71 -10.757 -4.329 -0.716 549 HG22 VAL 71 1HG2 VAL 71 -9.204 -4.367 -1.570 550 HG23 VAL 71 2HG2 VAL 71 -9.543 -3.122 -0.345 551 H ALA 72 H ALA 72 -10.860 -2.104 -5.107 552 HA ALA 72 HA ALA 72 -11.180 0.562 -5.979 553 HB1 ALA 72 3HB ALA 72 -12.124 -0.451 -7.749 554 HB2 ALA 72 1HB ALA 72 -11.717 -1.985 -6.976 555 HB3 ALA 72 2HB ALA 72 -13.337 -1.299 -6.764 556 H SER 73 H SER 73 -12.952 -1.114 -3.497 557 HA SER 73 HA SER 73 -14.799 1.238 -3.157 558 HB2 SER 73 1HB SER 73 -15.424 -1.718 -3.013 559 HB3 SER 73 2HB SER 73 -16.402 -0.534 -2.135 560 HG SER 73 HG SER 73 -16.962 0.452 -4.031 561 H ALA 74 H ALA 74 -13.109 -1.406 -1.374 562 HA ALA 74 HA ALA 74 -13.806 -0.478 1.246 563 HB1 ALA 74 3HB ALA 74 -11.263 -1.938 0.573 564 HB2 ALA 74 1HB ALA 74 -12.277 -2.055 2.023 565 HB3 ALA 74 2HB ALA 74 -12.844 -2.764 0.505 566 H GLU 75 H GLU 75 -12.377 0.441 2.838 567 HA GLU 75 HA GLU 75 -10.135 2.127 1.951 568 HB2 GLU 75 1HB GLU 75 -10.938 4.121 2.934 569 HB3 GLU 75 2HB GLU 75 -12.122 3.554 1.786 570 HG2 GLU 75 1HG GLU 75 -12.867 2.539 4.400 571 HG3 GLU 75 2HG GLU 75 -12.446 4.230 4.571 Start of MODEL 9 1 H1 ALA 1 1H ALA 1 -15.999 15.882 -6.347 2 H2 ALA 1 2H ALA 1 -16.574 17.336 -6.834 3 H3 ALA 1 3H ALA 1 -15.869 16.331 -7.918 4 HA ALA 1 HA ALA 1 -14.378 18.127 -7.344 5 HB1 ALA 1 3HB ALA 1 -15.161 18.660 -5.123 6 HB2 ALA 1 1HB ALA 1 -14.734 17.044 -4.515 7 HB3 ALA 1 2HB ALA 1 -13.459 18.179 -5.004 8 H GLY 2 H GLY 2 -13.034 17.114 -8.773 9 HA2 GLY 2 1HA GLY 2 -11.284 15.812 -9.515 10 HA3 GLY 2 2HA GLY 2 -10.924 15.398 -7.837 11 H HIS 3 H HIS 3 -10.366 13.329 -8.830 12 HA HIS 3 HA HIS 3 -12.685 11.510 -9.399 13 HB2 HIS 3 1HB HIS 3 -9.713 11.291 -10.009 14 HB3 HIS 3 2HB HIS 3 -10.807 9.909 -10.084 15 HD1 HIS 3 HD1 HIS 3 -12.678 9.902 -12.025 16 HD2 HIS 3 HD2 HIS 3 -9.927 13.118 -11.999 17 HE1 HIS 3 HE1 HIS 3 -12.921 11.088 -14.297 18 HE2 HIS 3 HE2 HIS 3 -11.243 13.042 -14.281 19 H MET 4 H MET 4 -12.999 9.681 -8.254 20 HA MET 4 HA MET 4 -11.648 9.432 -5.601 21 HB2 MET 4 1HB MET 4 -13.824 8.342 -4.879 22 HB3 MET 4 2HB MET 4 -13.871 10.077 -5.157 23 HG2 MET 4 1HG MET 4 -15.087 9.811 -7.198 24 HG3 MET 4 2HG MET 4 -14.709 8.087 -7.280 25 HE1 MET 4 3HE MET 4 -16.473 10.724 -4.834 26 HE2 MET 4 1HE MET 4 -17.374 10.671 -6.369 27 HE3 MET 4 2HE MET 4 -18.118 10.053 -4.882 28 HA PRO 5 HA PRO 5 -10.470 5.275 -6.695 29 HB2 PRO 5 1HB PRO 5 -10.465 3.984 -4.286 30 HB3 PRO 5 2HB PRO 5 -9.281 5.260 -4.700 31 HG2 PRO 5 1HG PRO 5 -11.866 5.562 -3.127 32 HG3 PRO 5 2HG PRO 5 -10.250 6.189 -2.704 33 HD2 PRO 5 1HD PRO 5 -12.054 7.764 -3.850 34 HD3 PRO 5 2HD PRO 5 -10.329 7.887 -4.276 35 H GLU 6 H GLU 6 -11.527 3.589 -7.557 36 HA GLU 6 HA GLU 6 -13.744 2.187 -6.430 37 HB2 GLU 6 1HB GLU 6 -15.438 2.763 -8.160 38 HB3 GLU 6 2HB GLU 6 -15.086 4.093 -7.079 39 HG2 GLU 6 1HG GLU 6 -13.611 5.121 -8.808 40 HG3 GLU 6 2HG GLU 6 -13.941 3.764 -9.884 41 H GLY 7 H GLY 7 -14.705 0.676 -8.190 42 HA2 GLY 7 1HA GLY 7 -13.944 -0.109 -10.585 43 HA3 GLY 7 2HA GLY 7 -12.481 -0.575 -9.705 44 H SER 8 H SER 8 -13.504 -2.591 -10.870 45 HA SER 8 HA SER 8 -14.647 -4.320 -8.777 46 HB2 SER 8 1HB SER 8 -16.380 -5.206 -10.377 47 HB3 SER 8 2HB SER 8 -16.689 -3.599 -9.708 48 HG SER 8 HG SER 8 -17.105 -3.694 -11.965 49 H ALA 9 H ALA 9 -13.399 -6.034 -8.703 50 HA ALA 9 HA ALA 9 -12.768 -7.689 -10.950 51 HB1 ALA 9 3HB ALA 9 -10.957 -5.541 -10.649 52 HB2 ALA 9 1HB ALA 9 -10.148 -6.875 -9.830 53 HB3 ALA 9 2HB ALA 9 -10.668 -7.054 -11.519 54 H SER 10 H SER 10 -10.789 -9.239 -10.078 55 HA SER 10 HA SER 10 -11.779 -10.771 -7.868 56 HB2 SER 10 1HB SER 10 -9.000 -10.782 -9.122 57 HB3 SER 10 2HB SER 10 -9.730 -12.081 -8.160 58 HG SER 10 HG SER 10 -9.906 -12.476 -10.412 59 H LEU 11 H LEU 11 -10.209 -11.442 -6.043 60 HA LEU 11 HA LEU 11 -9.611 -9.040 -4.452 61 HB2 LEU 11 1HB LEU 11 -9.452 -11.973 -3.677 62 HB3 LEU 11 2HB LEU 11 -9.432 -10.577 -2.598 63 HG LEU 11 HG LEU 11 -11.779 -11.574 -4.268 64 HD11 LEU 11 1HD1 LEU 11 -11.335 -12.856 -2.248 65 HD12 LEU 11 2HD1 LEU 11 -12.800 -11.887 -2.027 66 HD13 LEU 11 3HD1 LEU 11 -11.274 -11.372 -1.273 67 HD21 LEU 11 3HD2 LEU 11 -13.088 -9.776 -3.074 68 HD22 LEU 11 1HD2 LEU 11 -11.970 -9.171 -4.296 69 HD23 LEU 11 2HD2 LEU 11 -11.542 -9.053 -2.572 70 H GLN 12 H GLN 12 -7.838 -8.779 -6.308 71 HA GLN 12 HA GLN 12 -5.273 -9.348 -4.964 72 HB2 GLN 12 1HB GLN 12 -5.929 -11.168 -6.815 73 HB3 GLN 12 2HB GLN 12 -5.358 -9.932 -7.926 74 HG2 GLN 12 1HG GLN 12 -3.373 -10.050 -5.881 75 HG3 GLN 12 2HG GLN 12 -3.870 -11.718 -6.119 76 HE21 GLN 12 2HE2 GLN 12 -3.246 -12.778 -8.134 77 HE22 GLN 12 1HE2 GLN 12 -2.196 -11.934 -9.268 78 H LEU 13 H LEU 13 -4.252 -7.489 -4.784 79 HA LEU 13 HA LEU 13 -4.857 -5.163 -6.418 80 HB2 LEU 13 1HB LEU 13 -3.964 -5.535 -3.864 81 HB3 LEU 13 2HB LEU 13 -2.428 -5.239 -4.649 82 HG LEU 13 HG LEU 13 -3.287 -3.188 -3.748 83 HD11 LEU 13 1HD1 LEU 13 -2.129 -2.960 -5.897 84 HD12 LEU 13 2HD1 LEU 13 -3.353 -1.712 -5.585 85 HD13 LEU 13 3HD1 LEU 13 -3.697 -3.020 -6.727 86 HD21 LEU 13 3HD2 LEU 13 -5.408 -2.314 -4.013 87 HD22 LEU 13 1HD2 LEU 13 -5.760 -4.040 -3.934 88 HD23 LEU 13 2HD2 LEU 13 -5.742 -3.208 -5.500 89 H ALA 14 H ALA 14 -3.904 -4.577 -8.262 90 HA ALA 14 HA ALA 14 -1.219 -5.656 -9.017 91 HB1 ALA 14 3HB ALA 14 -3.024 -6.814 -10.246 92 HB2 ALA 14 1HB ALA 14 -3.649 -5.247 -10.810 93 HB3 ALA 14 2HB ALA 14 -2.047 -5.812 -11.334 94 H VAL 15 H VAL 15 -0.229 -4.346 -10.821 95 HA VAL 15 HA VAL 15 0.122 -1.619 -10.026 96 HB VAL 15 HB VAL 15 0.877 -2.910 -12.670 97 HG11 VAL 15 1HG1 VAL 15 1.883 -0.365 -11.301 98 HG12 VAL 15 2HG1 VAL 15 2.576 -1.092 -12.766 99 HG13 VAL 15 3HG1 VAL 15 0.941 -0.437 -12.808 100 HG21 VAL 15 3HG2 VAL 15 1.928 -4.081 -10.759 101 HG22 VAL 15 1HG2 VAL 15 3.127 -3.119 -11.624 102 HG23 VAL 15 2HG2 VAL 15 2.464 -2.527 -10.084 103 H GLY 16 H GLY 16 -0.916 0.186 -10.514 104 HA2 GLY 16 1HA GLY 16 -2.124 1.728 -11.814 105 HA3 GLY 16 2HA GLY 16 -2.678 0.441 -12.879 106 H ASP 17 H ASP 17 -3.318 -0.841 -9.897 107 HA ASP 17 HA ASP 17 -6.127 -0.173 -9.982 108 HB2 ASP 17 1HB ASP 17 -4.729 -2.266 -8.969 109 HB3 ASP 17 2HB ASP 17 -4.955 -1.324 -7.490 110 H ARG 18 H ARG 18 -7.141 0.406 -7.721 111 HA ARG 18 HA ARG 18 -5.969 3.033 -6.790 112 HB2 ARG 18 1HB ARG 18 -8.811 2.105 -7.345 113 HB3 ARG 18 2HB ARG 18 -8.519 3.422 -6.219 114 HG2 ARG 18 1HG ARG 18 -7.400 3.451 -9.056 115 HG3 ARG 18 2HG ARG 18 -9.005 4.061 -8.626 116 HD2 ARG 18 1HD ARG 18 -7.506 5.355 -6.744 117 HD3 ARG 18 2HD ARG 18 -6.298 5.189 -8.030 118 HE ARG 18 HE ARG 18 -8.735 6.124 -9.179 119 HH11 ARG 18 1HH1 ARG 18 -6.267 7.388 -7.056 120 HH12 ARG 18 2HH1 ARG 18 -6.652 9.044 -7.445 121 HH21 ARG 18 1HH2 ARG 18 -9.175 8.205 -9.640 122 HH22 ARG 18 2HH2 ARG 18 -8.258 9.491 -8.894 123 H VAL 19 H VAL 19 -5.820 3.478 -4.708 124 HA VAL 19 HA VAL 19 -6.860 1.573 -2.677 125 HB VAL 19 HB VAL 19 -4.745 1.380 -1.563 126 HG11 VAL 19 1HG1 VAL 19 -3.501 -0.016 -3.093 127 HG12 VAL 19 2HG1 VAL 19 -5.238 -0.223 -3.410 128 HG13 VAL 19 3HG1 VAL 19 -4.239 0.759 -4.502 129 HG21 VAL 19 3HG2 VAL 19 -3.568 3.349 -1.898 130 HG22 VAL 19 1HG2 VAL 19 -2.644 2.152 -2.817 131 HG23 VAL 19 2HG2 VAL 19 -3.696 3.279 -3.681 132 H VAL 20 H VAL 20 -7.482 2.529 -0.816 133 HA VAL 20 HA VAL 20 -6.719 5.333 -0.281 134 HB VAL 20 HB VAL 20 -8.675 5.538 -1.546 135 HG11 VAL 20 1HG1 VAL 20 -10.887 4.553 -0.180 136 HG12 VAL 20 2HG1 VAL 20 -10.175 3.872 -1.646 137 HG13 VAL 20 3HG1 VAL 20 -9.726 3.224 -0.067 138 HG21 VAL 20 3HG2 VAL 20 -10.168 6.783 -0.090 139 HG22 VAL 20 1HG2 VAL 20 -9.415 6.054 1.337 140 HG23 VAL 20 2HG2 VAL 20 -8.480 7.121 0.270 141 H TYR 21 H TYR 21 -6.486 5.818 1.794 142 HA TYR 21 HA TYR 21 -6.385 3.619 3.722 143 HB2 TYR 21 1HB TYR 21 -5.549 6.467 3.544 144 HB3 TYR 21 2HB TYR 21 -6.112 5.968 5.124 145 HD1 TYR 21 HD2 TYR 21 -4.162 3.892 2.624 146 HD2 TYR 21 HD1 TYR 21 -4.216 5.906 6.453 147 HE1 TYR 21 HE2 TYR 21 -1.957 2.877 3.205 148 HE2 TYR 21 HE1 TYR 21 -2.025 4.936 6.995 149 HH TYR 21 HH TYR 21 -0.258 3.704 6.263 150 HA PRO 22 HA PRO 22 -10.346 3.912 5.561 151 HB2 PRO 22 1HB PRO 22 -9.902 3.509 8.243 152 HB3 PRO 22 2HB PRO 22 -9.673 2.243 7.002 153 HG2 PRO 22 1HG PRO 22 -7.564 4.025 8.250 154 HG3 PRO 22 2HG PRO 22 -7.510 2.252 7.997 155 HD2 PRO 22 1HD PRO 22 -6.327 3.996 6.277 156 HD3 PRO 22 2HD PRO 22 -7.123 2.511 5.678 157 H ASN 23 H ASN 23 -7.922 6.094 6.840 158 HA ASN 23 HA ASN 23 -9.743 8.378 6.995 159 HB2 ASN 23 1HB ASN 23 -8.651 7.000 9.476 160 HB3 ASN 23 2HB ASN 23 -8.888 8.744 9.484 161 HD21 ASN 23 2HD2 ASN 23 -10.401 6.100 10.584 162 HD22 ASN 23 1HD2 ASN 23 -12.049 6.692 10.414 163 H GLN 24 H GLN 24 -7.988 8.540 5.195 164 HA GLN 24 HA GLN 24 -6.075 10.543 6.132 165 HB2 GLN 24 1HB GLN 24 -5.131 7.842 5.497 166 HB3 GLN 24 2HB GLN 24 -4.360 9.023 4.465 167 HG2 GLN 24 1HG GLN 24 -4.374 9.046 7.505 168 HG3 GLN 24 2HG GLN 24 -3.057 8.516 6.467 169 HE21 GLN 24 2HE2 GLN 24 -3.848 11.065 8.376 170 HE22 GLN 24 1HE2 GLN 24 -3.046 12.335 7.453 171 H GLY 25 H GLY 25 -6.279 8.568 3.143 172 HA2 GLY 25 1HA GLY 25 -7.596 10.408 1.448 173 HA3 GLY 25 2HA GLY 25 -5.858 10.746 1.384 174 H VAL 26 H VAL 26 -6.841 10.071 -0.900 175 HA VAL 26 HA VAL 26 -6.635 7.165 -1.447 176 HB VAL 26 HB VAL 26 -8.419 8.413 -2.519 177 HG11 VAL 26 1HG1 VAL 26 -7.388 10.641 -2.783 178 HG12 VAL 26 2HG1 VAL 26 -6.280 9.991 -4.007 179 HG13 VAL 26 3HG1 VAL 26 -8.029 10.031 -4.310 180 HG21 VAL 26 3HG2 VAL 26 -8.135 7.630 -4.791 181 HG22 VAL 26 1HG2 VAL 26 -6.383 7.520 -4.589 182 HG23 VAL 26 2HG2 VAL 26 -7.456 6.445 -3.665 183 H CYS 27 H CYS 27 -5.062 6.256 -2.776 184 HA CYS 27 HA CYS 27 -2.676 7.898 -3.478 185 HB2 CYS 27 1HB CYS 27 -2.462 5.049 -2.476 186 HB3 CYS 27 2HB CYS 27 -1.182 6.227 -2.683 187 HG CYS 27 HG CYS 27 -3.180 7.665 -0.853 188 H ARG 28 H ARG 28 -1.241 6.563 -5.028 189 HA ARG 28 HA ARG 28 -2.932 5.052 -6.979 190 HB2 ARG 28 1HB ARG 28 -2.471 7.547 -7.449 191 HB3 ARG 28 2HB ARG 28 -0.798 7.098 -7.724 192 HG2 ARG 28 1HG ARG 28 -1.241 6.404 -9.806 193 HG3 ARG 28 2HG ARG 28 -2.514 5.304 -9.266 194 HD2 ARG 28 1HD ARG 28 -4.206 6.901 -9.471 195 HD3 ARG 28 2HD ARG 28 -3.084 8.272 -9.403 196 HE ARG 28 HE ARG 28 -2.295 7.062 -11.701 197 HH11 ARG 28 1HH1 ARG 28 -5.433 8.178 -10.662 198 HH12 ARG 28 2HH1 ARG 28 -5.902 8.665 -12.270 199 HH21 ARG 28 1HH2 ARG 28 -2.912 7.739 -13.710 200 HH22 ARG 28 2HH2 ARG 28 -4.491 8.426 -13.950 201 H VAL 29 H VAL 29 -2.175 3.125 -7.348 202 HA VAL 29 HA VAL 29 0.254 2.068 -6.320 203 HB VAL 29 HB VAL 29 -1.400 0.954 -8.607 204 HG11 VAL 29 1HG1 VAL 29 0.802 -0.164 -8.397 205 HG12 VAL 29 2HG1 VAL 29 0.556 -0.361 -6.651 206 HG13 VAL 29 3HG1 VAL 29 -0.475 -1.232 -7.795 207 HG21 VAL 29 3HG2 VAL 29 -2.714 1.355 -6.441 208 HG22 VAL 29 1HG2 VAL 29 -2.628 -0.293 -7.040 209 HG23 VAL 29 2HG2 VAL 29 -1.607 0.208 -5.662 210 H SER 30 H SER 30 2.257 2.099 -6.974 211 HA SER 30 HA SER 30 2.961 3.057 -9.733 212 HB2 SER 30 1HB SER 30 3.727 4.670 -8.265 213 HB3 SER 30 2HB SER 30 4.168 3.499 -7.011 214 HG SER 30 HG SER 30 6.030 4.266 -8.054 215 H ALA 31 H ALA 31 4.077 0.876 -7.088 216 HA ALA 31 HA ALA 31 4.669 -1.239 -9.017 217 HB1 ALA 31 3HB ALA 31 6.731 0.264 -8.973 218 HB2 ALA 31 1HB ALA 31 6.900 -0.127 -7.248 219 HB3 ALA 31 2HB ALA 31 7.028 -1.410 -8.476 220 H ILE 32 H ILE 32 5.514 -3.218 -7.781 221 HA ILE 32 HA ILE 32 4.882 -3.325 -4.909 222 HB ILE 32 HB ILE 32 3.492 -5.186 -6.896 223 HG12 ILE 32 1HG1 ILE 32 2.279 -3.047 -5.083 224 HG13 ILE 32 2HG1 ILE 32 2.367 -2.988 -6.840 225 HG21 ILE 32 1HG2 ILE 32 4.164 -6.359 -4.865 226 HG22 ILE 32 2HG2 ILE 32 3.474 -5.077 -3.844 227 HG23 ILE 32 3HG2 ILE 32 2.436 -6.133 -4.822 228 HD11 ILE 32 3HD1 ILE 32 0.667 -4.914 -5.242 229 HD12 ILE 32 1HD1 ILE 32 0.148 -3.546 -6.230 230 HD13 ILE 32 2HD1 ILE 32 0.888 -4.959 -7.009 231 H ASP 33 H ASP 33 6.189 -4.785 -3.867 232 HA ASP 33 HA ASP 33 7.547 -6.939 -5.298 233 HB2 ASP 33 1HB ASP 33 9.824 -6.210 -4.542 234 HB3 ASP 33 2HB ASP 33 9.128 -5.252 -5.829 235 H VAL 34 H VAL 34 8.936 -8.243 -3.786 236 HA VAL 34 HA VAL 34 7.709 -8.335 -1.060 237 HB VAL 34 HB VAL 34 8.124 -10.655 -0.928 238 HG11 VAL 34 1HG1 VAL 34 6.306 -11.294 -2.091 239 HG12 VAL 34 2HG1 VAL 34 6.197 -9.600 -2.582 240 HG13 VAL 34 3HG1 VAL 34 6.953 -10.765 -3.656 241 HG21 VAL 34 3HG2 VAL 34 10.195 -10.965 -2.170 242 HG22 VAL 34 1HG2 VAL 34 8.946 -12.021 -2.837 243 HG23 VAL 34 2HG2 VAL 34 9.388 -10.530 -3.695 244 H LYS 35 H LYS 35 8.964 -8.504 0.742 245 HA LYS 35 HA LYS 35 11.838 -8.876 0.597 246 HB2 LYS 35 1HB LYS 35 12.443 -6.717 1.691 247 HB3 LYS 35 2HB LYS 35 11.885 -6.523 0.037 248 HG2 LYS 35 1HG LYS 35 9.790 -5.652 0.696 249 HG3 LYS 35 2HG LYS 35 9.984 -6.166 2.378 250 HD2 LYS 35 1HD LYS 35 11.938 -4.176 1.200 251 HD3 LYS 35 2HD LYS 35 10.318 -3.655 1.656 252 HE2 LYS 35 1HE LYS 35 11.247 -5.250 3.827 253 HE3 LYS 35 2HE LYS 35 12.624 -4.255 3.360 254 HZ1 LYS 35 3HZ LYS 35 11.263 -3.068 4.962 255 HZ2 LYS 35 1HZ LYS 35 9.911 -3.243 4.057 256 HZ3 LYS 35 2HZ LYS 35 11.140 -2.290 3.540 257 H GLU 36 H GLU 36 12.836 -8.614 2.788 258 HA GLU 36 HA GLU 36 11.022 -9.636 4.933 259 HB2 GLU 36 1HB GLU 36 13.455 -10.718 3.921 260 HB3 GLU 36 2HB GLU 36 13.876 -9.987 5.458 261 HG2 GLU 36 1HG GLU 36 11.491 -11.368 6.027 262 HG3 GLU 36 2HG GLU 36 12.306 -12.377 4.830 263 H VAL 37 H VAL 37 10.466 -8.155 6.363 264 HA VAL 37 HA VAL 37 12.539 -6.206 7.325 265 HB VAL 37 HB VAL 37 10.840 -5.110 5.902 266 HG11 VAL 37 1HG1 VAL 37 8.830 -5.609 8.123 267 HG12 VAL 37 2HG1 VAL 37 8.579 -4.778 6.578 268 HG13 VAL 37 3HG1 VAL 37 8.887 -6.531 6.613 269 HG21 VAL 37 3HG2 VAL 37 12.065 -3.909 7.742 270 HG22 VAL 37 1HG2 VAL 37 10.490 -3.203 7.328 271 HG23 VAL 37 2HG2 VAL 37 10.656 -4.184 8.791 272 H ALA 38 H ALA 38 12.739 -5.991 9.494 273 HA ALA 38 HA ALA 38 12.746 -6.714 11.656 274 HB1 ALA 38 3HB ALA 38 9.726 -6.515 11.398 275 HB2 ALA 38 1HB ALA 38 10.732 -6.176 12.824 276 HB3 ALA 38 2HB ALA 38 10.797 -5.100 11.417 277 H GLY 39 H GLY 39 12.758 -8.939 9.754 278 HA2 GLY 39 1HA GLY 39 12.868 -11.247 9.910 279 HA3 GLY 39 2HA GLY 39 12.116 -11.196 11.501 280 H GLN 40 H GLN 40 10.531 -9.723 8.662 281 HA GLN 40 HA GLN 40 8.566 -11.967 8.495 282 HB2 GLN 40 1HB GLN 40 7.785 -10.162 10.025 283 HB3 GLN 40 2HB GLN 40 7.975 -8.991 8.730 284 HG2 GLN 40 1HG GLN 40 5.916 -9.371 8.055 285 HG3 GLN 40 2HG GLN 40 6.331 -11.024 7.610 286 HE21 GLN 40 2HE2 GLN 40 4.492 -12.185 8.297 287 HE22 GLN 40 1HE2 GLN 40 3.840 -12.026 9.923 288 H LYS 41 H LYS 41 8.644 -12.702 6.485 289 HA LYS 41 HA LYS 41 9.363 -10.933 4.221 290 HB2 LYS 41 1HB LYS 41 10.380 -13.345 4.753 291 HB3 LYS 41 2HB LYS 41 8.953 -13.894 3.899 292 HG2 LYS 41 1HG LYS 41 9.530 -12.390 1.982 293 HG3 LYS 41 2HG LYS 41 11.014 -11.905 2.810 294 HD2 LYS 41 1HD LYS 41 12.055 -13.969 2.484 295 HD3 LYS 41 2HD LYS 41 10.519 -14.851 2.464 296 HE2 LYS 41 1HE LYS 41 10.010 -13.615 0.260 297 HE3 LYS 41 2HE LYS 41 11.725 -13.189 0.219 298 HZ1 LYS 41 3HZ LYS 41 12.279 -15.513 0.131 299 HZ2 LYS 41 1HZ LYS 41 11.080 -15.313 -0.963 300 HZ3 LYS 41 2HZ LYS 41 10.756 -15.989 0.483 301 H LEU 42 H LEU 42 7.798 -9.998 3.074 302 HA LEU 42 HA LEU 42 5.503 -11.524 2.139 303 HB2 LEU 42 1HB LEU 42 3.760 -10.549 3.336 304 HB3 LEU 42 2HB LEU 42 4.957 -10.829 4.560 305 HG LEU 42 HG LEU 42 5.602 -8.268 3.687 306 HD11 LEU 42 1HD1 LEU 42 3.758 -7.065 3.255 307 HD12 LEU 42 2HD1 LEU 42 2.643 -8.146 4.158 308 HD13 LEU 42 3HD1 LEU 42 3.194 -8.569 2.540 309 HD21 LEU 42 3HD2 LEU 42 4.617 -7.511 5.821 310 HD22 LEU 42 1HD2 LEU 42 5.638 -8.940 5.965 311 HD23 LEU 42 2HD2 LEU 42 3.859 -9.107 6.023 312 H THR 43 H THR 43 3.973 -10.057 0.845 313 HA THR 43 HA THR 43 5.519 -8.364 -0.961 314 HB THR 43 HB THR 43 2.511 -8.822 -0.939 315 HG1 THR 43 HG1 THR 43 3.016 -10.466 -2.460 316 HG21 THR 43 3HG2 THR 43 2.828 -8.440 -3.402 317 HG22 THR 43 1HG2 THR 43 4.531 -8.048 -3.096 318 HG23 THR 43 2HG2 THR 43 3.243 -7.032 -2.415 319 H PHE 44 H PHE 44 5.903 -6.254 -0.624 320 HA PHE 44 HA PHE 44 3.973 -4.641 1.003 321 HB2 PHE 44 1HB PHE 44 6.903 -4.144 0.400 322 HB3 PHE 44 2HB PHE 44 5.813 -3.033 1.228 323 HD1 PHE 44 HD2 PHE 44 5.036 -3.456 3.524 324 HD2 PHE 44 HD1 PHE 44 7.694 -6.225 1.535 325 HE1 PHE 44 HE2 PHE 44 5.446 -4.643 5.693 326 HE2 PHE 44 HE1 PHE 44 8.096 -7.366 3.696 327 HZ PHE 44 HZ PHE 44 6.907 -6.635 5.729 328 H VAL 45 H VAL 45 2.603 -3.490 -0.166 329 HA VAL 45 HA VAL 45 2.966 -2.957 -3.028 330 HB VAL 45 HB VAL 45 0.956 -1.460 -2.714 331 HG11 VAL 45 1HG1 VAL 45 -0.457 -3.690 -1.924 332 HG12 VAL 45 2HG1 VAL 45 0.143 -3.366 -3.555 333 HG13 VAL 45 3HG1 VAL 45 1.074 -4.393 -2.450 334 HG21 VAL 45 3HG2 VAL 45 1.365 -1.227 -0.136 335 HG22 VAL 45 1HG2 VAL 45 -0.280 -1.343 -0.755 336 HG23 VAL 45 2HG2 VAL 45 0.494 -2.766 -0.030 337 H THR 46 H THR 46 3.528 -1.011 -4.049 338 HA THR 46 HA THR 46 4.470 1.185 -2.278 339 HB THR 46 HB THR 46 5.846 0.748 -4.902 340 HG1 THR 46 HG1 THR 46 7.146 -0.788 -4.125 341 HG21 THR 46 3HG2 THR 46 6.490 2.667 -3.539 342 HG22 THR 46 1HG2 THR 46 7.795 1.467 -3.441 343 HG23 THR 46 2HG2 THR 46 6.661 1.640 -2.095 344 H MET 47 H MET 47 3.161 2.856 -2.476 345 HA MET 47 HA MET 47 2.147 3.609 -5.198 346 HB2 MET 47 1HB MET 47 0.723 4.026 -2.557 347 HB3 MET 47 2HB MET 47 0.084 4.289 -4.160 348 HG2 MET 47 1HG MET 47 -0.848 2.252 -3.893 349 HG3 MET 47 2HG MET 47 0.728 1.639 -4.339 350 HE1 MET 47 3HE MET 47 -1.043 3.238 -1.399 351 HE2 MET 47 1HE MET 47 -1.684 1.721 -0.742 352 HE3 MET 47 2HE MET 47 -0.280 2.491 0.019 353 H ARG 48 H ARG 48 1.672 5.880 -5.464 354 HA ARG 48 HA ARG 48 3.053 7.736 -3.573 355 HB2 ARG 48 1HB ARG 48 3.497 7.769 -6.590 356 HB3 ARG 48 2HB ARG 48 3.954 9.042 -5.469 357 HG2 ARG 48 1HG ARG 48 5.938 8.048 -5.404 358 HG3 ARG 48 2HG ARG 48 5.197 6.986 -4.223 359 HD2 ARG 48 1HD ARG 48 5.081 5.186 -5.660 360 HD3 ARG 48 2HD ARG 48 4.940 6.191 -7.104 361 HE ARG 48 HE ARG 48 7.388 5.168 -5.957 362 HH11 ARG 48 1HH1 ARG 48 6.198 7.926 -7.754 363 HH12 ARG 48 2HH1 ARG 48 7.766 8.299 -8.407 364 HH21 ARG 48 1HH2 ARG 48 9.359 5.664 -6.873 365 HH22 ARG 48 2HH2 ARG 48 9.493 7.042 -7.923 366 H ARG 49 H ARG 49 2.062 9.523 -3.178 367 HA ARG 49 HA ARG 49 -0.624 10.068 -4.426 368 HB2 ARG 49 1HB ARG 49 0.740 11.119 -1.901 369 HB3 ARG 49 2HB ARG 49 -0.883 11.565 -2.440 370 HG2 ARG 49 1HG ARG 49 -1.768 9.445 -1.991 371 HG3 ARG 49 2HG ARG 49 -0.206 8.639 -1.915 372 HD2 ARG 49 1HD ARG 49 -0.900 10.840 0.040 373 HD3 ARG 49 2HD ARG 49 -1.482 9.188 0.300 374 HE ARG 49 HE ARG 49 1.186 8.761 -0.088 375 HH11 ARG 49 1HH1 ARG 49 -0.478 10.927 2.079 376 HH12 ARG 49 2HH1 ARG 49 0.755 10.811 3.303 377 HH21 ARG 49 1HH2 ARG 49 2.777 8.654 1.560 378 HH22 ARG 49 2HH2 ARG 49 2.477 9.534 3.014 379 H GLU 50 H GLU 50 -0.295 11.231 -6.219 380 HA GLU 50 HA GLU 50 1.730 13.248 -6.592 381 HB2 GLU 50 1HB GLU 50 0.665 13.685 -8.683 382 HB3 GLU 50 2HB GLU 50 0.615 11.948 -8.391 383 HG2 GLU 50 1HG GLU 50 -1.790 12.379 -7.443 384 HG3 GLU 50 2HG GLU 50 -1.652 13.967 -8.195 385 H GLU 51 H GLU 51 -1.283 13.364 -4.974 386 HA GLU 51 HA GLU 51 -2.157 16.028 -5.185 387 HB2 GLU 51 1HB GLU 51 -2.189 14.102 -2.825 388 HB3 GLU 51 2HB GLU 51 -3.060 15.638 -2.851 389 HG2 GLU 51 1HG GLU 51 -4.371 14.897 -4.804 390 HG3 GLU 51 2HG GLU 51 -3.516 13.350 -4.814 391 H ASP 52 H ASP 52 0.277 14.689 -2.992 392 HA ASP 52 HA ASP 52 1.267 17.455 -2.365 393 HB2 ASP 52 1HB ASP 52 0.321 15.418 -0.563 394 HB3 ASP 52 2HB ASP 52 2.053 15.539 -0.346 395 H GLY 53 H GLY 53 2.144 14.301 -3.559 396 HA2 GLY 53 1HA GLY 53 4.067 13.729 -4.727 397 HA3 GLY 53 2HA GLY 53 4.888 15.183 -4.159 398 H ALA 54 H ALA 54 3.318 12.414 -2.498 399 HA ALA 54 HA ALA 54 5.888 11.777 -1.093 400 HB1 ALA 54 3HB ALA 54 3.110 11.749 0.168 401 HB2 ALA 54 1HB ALA 54 4.655 11.377 0.965 402 HB3 ALA 54 2HB ALA 54 4.327 13.028 0.410 403 H VAL 55 H VAL 55 6.020 9.587 -0.270 404 HA VAL 55 HA VAL 55 4.649 7.597 -2.033 405 HB VAL 55 HB VAL 55 6.414 6.041 -1.398 406 HG11 VAL 55 1HG1 VAL 55 8.347 7.842 -2.385 407 HG12 VAL 55 2HG1 VAL 55 7.298 6.773 -3.314 408 HG13 VAL 55 3HG1 VAL 55 6.814 8.453 -3.012 409 HG21 VAL 55 3HG2 VAL 55 8.321 6.562 -0.143 410 HG22 VAL 55 1HG2 VAL 55 7.981 8.304 -0.127 411 HG23 VAL 55 2HG2 VAL 55 6.994 7.190 0.840 412 H VAL 56 H VAL 56 3.920 5.604 -1.127 413 HA VAL 56 HA VAL 56 3.635 5.356 1.788 414 HB VAL 56 HB VAL 56 1.717 6.652 1.370 415 HG11 VAL 56 1HG1 VAL 56 1.540 5.557 -1.191 416 HG12 VAL 56 2HG1 VAL 56 0.108 4.950 -0.355 417 HG13 VAL 56 3HG1 VAL 56 0.427 6.684 -0.427 418 HG21 VAL 56 3HG2 VAL 56 1.545 4.635 2.899 419 HG22 VAL 56 1HG2 VAL 56 0.027 5.352 2.336 420 HG23 VAL 56 2HG2 VAL 56 0.619 3.845 1.610 421 H MET 57 H MET 57 4.127 3.366 2.294 422 HA MET 57 HA MET 57 3.392 1.177 0.464 423 HB2 MET 57 1HB MET 57 5.459 0.083 0.720 424 HB3 MET 57 2HB MET 57 5.822 1.757 0.277 425 HG2 MET 57 1HG MET 57 6.321 2.269 2.624 426 HG3 MET 57 2HG MET 57 5.907 0.618 3.089 427 HE1 MET 57 3HE MET 57 8.745 -1.595 1.792 428 HE2 MET 57 1HE MET 57 7.120 -1.481 2.503 429 HE3 MET 57 2HE MET 57 7.357 -1.215 0.758 430 H VAL 58 H VAL 58 2.619 -0.649 1.353 431 HA VAL 58 HA VAL 58 2.641 -0.972 4.269 432 HB VAL 58 HB VAL 58 0.202 -1.401 4.437 433 HG11 VAL 58 1HG1 VAL 58 0.731 1.407 3.448 434 HG12 VAL 58 2HG1 VAL 58 -0.553 0.849 4.534 435 HG13 VAL 58 3HG1 VAL 58 1.132 0.792 5.068 436 HG21 VAL 58 3HG2 VAL 58 -0.388 -1.946 2.161 437 HG22 VAL 58 1HG2 VAL 58 -1.350 -0.577 2.731 438 HG23 VAL 58 2HG2 VAL 58 0.005 -0.284 1.629 439 HA PRO 59 HA PRO 59 2.972 -5.182 3.168 440 HB2 PRO 59 1HB PRO 59 1.977 -6.420 5.415 441 HB3 PRO 59 2HB PRO 59 3.561 -5.631 5.367 442 HG2 PRO 59 1HG PRO 59 0.944 -4.504 6.370 443 HG3 PRO 59 2HG PRO 59 2.557 -4.444 7.169 444 HD2 PRO 59 1HD PRO 59 1.637 -2.352 5.772 445 HD3 PRO 59 2HD PRO 59 3.346 -2.841 5.626 446 H GLU 60 H GLU 60 1.695 -6.264 1.676 447 HA GLU 60 HA GLU 60 -1.141 -6.073 1.604 448 HB2 GLU 60 1HB GLU 60 0.702 -8.119 0.313 449 HB3 GLU 60 2HB GLU 60 -1.031 -7.984 0.023 450 HG2 GLU 60 1HG GLU 60 -0.472 -5.445 -0.458 451 HG3 GLU 60 2HG GLU 60 1.152 -6.054 -0.761 452 H GLY 61 H GLY 61 0.890 -8.678 2.960 453 HA2 GLY 61 1HA GLY 61 -1.490 -10.254 3.830 454 HA3 GLY 61 2HA GLY 61 0.205 -10.749 3.942 455 H LYS 62 H LYS 62 -0.186 -7.637 5.092 456 HA LYS 62 HA LYS 62 -0.771 -8.421 7.924 457 HB2 LYS 62 1HB LYS 62 1.798 -8.049 6.954 458 HB3 LYS 62 2HB LYS 62 1.377 -6.453 7.591 459 HG2 LYS 62 1HG LYS 62 1.000 -7.338 9.782 460 HG3 LYS 62 2HG LYS 62 1.303 -8.998 9.209 461 HD2 LYS 62 1HD LYS 62 3.576 -8.651 8.920 462 HD3 LYS 62 2HD LYS 62 3.417 -6.939 8.511 463 HE2 LYS 62 1HE LYS 62 2.798 -6.497 10.933 464 HE3 LYS 62 2HE LYS 62 3.211 -8.179 11.291 465 HZ1 LYS 62 3HZ LYS 62 5.313 -7.451 11.497 466 HZ2 LYS 62 1HZ LYS 62 4.961 -5.960 10.924 467 HZ3 LYS 62 2HZ LYS 62 5.373 -7.159 9.894 468 H VAL 63 H VAL 63 -1.739 -6.479 5.427 469 HA VAL 63 HA VAL 63 -2.223 -3.943 6.401 470 HB VAL 63 HB VAL 63 -4.445 -4.087 5.267 471 HG11 VAL 63 1HG1 VAL 63 -2.210 -3.378 4.189 472 HG12 VAL 63 2HG1 VAL 63 -2.352 -4.902 3.288 473 HG13 VAL 63 3HG1 VAL 63 -3.629 -3.686 3.166 474 HG21 VAL 63 3HG2 VAL 63 -5.357 -5.855 4.288 475 HG22 VAL 63 1HG2 VAL 63 -3.817 -6.534 3.761 476 HG23 VAL 63 2HG2 VAL 63 -4.367 -6.791 5.414 477 H LEU 64 H LEU 64 -3.752 -6.863 7.502 478 HA LEU 64 HA LEU 64 -5.985 -5.864 8.906 479 HB2 LEU 64 1HB LEU 64 -4.288 -8.185 9.860 480 HB3 LEU 64 2HB LEU 64 -6.023 -7.960 10.014 481 HG LEU 64 HG LEU 64 -4.460 -8.737 7.496 482 HD11 LEU 64 1HD1 LEU 64 -4.967 -10.467 9.277 483 HD12 LEU 64 2HD1 LEU 64 -5.662 -10.806 7.683 484 HD13 LEU 64 3HD1 LEU 64 -6.695 -10.175 8.986 485 HD21 LEU 64 3HD2 LEU 64 -6.691 -8.951 6.395 486 HD22 LEU 64 1HD2 LEU 64 -6.297 -7.268 6.759 487 HD23 LEU 64 2HD2 LEU 64 -7.447 -8.144 7.787 488 H ALA 65 H ALA 65 -2.576 -5.786 9.762 489 HA ALA 65 HA ALA 65 -2.909 -5.120 12.566 490 HB1 ALA 65 3HB ALA 65 -0.395 -4.579 10.961 491 HB2 ALA 65 1HB ALA 65 -0.582 -5.140 12.634 492 HB3 ALA 65 2HB ALA 65 -0.892 -6.250 11.289 493 H ILE 66 H ILE 66 -1.967 -3.246 9.654 494 HA ILE 66 HA ILE 66 -1.965 -0.658 10.966 495 HB ILE 66 HB ILE 66 -2.200 -1.274 7.987 496 HG12 ILE 66 1HG1 ILE 66 0.380 -0.414 8.318 497 HG13 ILE 66 2HG1 ILE 66 0.165 -1.213 9.867 498 HG21 ILE 66 1HG2 ILE 66 -1.278 1.249 9.459 499 HG22 ILE 66 2HG2 ILE 66 -1.249 1.008 7.699 500 HG23 ILE 66 3HG2 ILE 66 -2.786 1.079 8.549 501 HD11 ILE 66 3HD1 ILE 66 -0.283 -2.455 7.109 502 HD12 ILE 66 1HD1 ILE 66 1.156 -2.654 8.142 503 HD13 ILE 66 2HD1 ILE 66 -0.398 -3.322 8.658 504 H GLY 67 H GLY 67 -4.453 -2.594 9.431 505 HA2 GLY 67 1HA GLY 67 -6.776 -2.428 9.682 506 HA3 GLY 67 2HA GLY 67 -6.617 -0.806 10.355 507 H VAL 68 H VAL 68 -4.822 -1.218 7.480 508 HA VAL 68 HA VAL 68 -6.657 0.595 6.018 509 HB VAL 68 HB VAL 68 -4.745 0.912 4.468 510 HG11 VAL 68 1HG1 VAL 68 -4.676 1.622 7.368 511 HG12 VAL 68 2HG1 VAL 68 -3.234 1.977 6.397 512 HG13 VAL 68 3HG1 VAL 68 -4.775 2.611 5.905 513 HG21 VAL 68 3HG2 VAL 68 -3.144 -0.623 4.348 514 HG22 VAL 68 1HG2 VAL 68 -2.451 0.078 5.804 515 HG23 VAL 68 2HG2 VAL 68 -3.504 -1.336 5.919 516 H ARG 69 H ARG 69 -8.018 -0.097 4.411 517 HA ARG 69 HA ARG 69 -7.389 -2.801 3.232 518 HB2 ARG 69 1HB ARG 69 -9.792 -1.629 4.319 519 HB3 ARG 69 2HB ARG 69 -10.035 -1.864 2.607 520 HG2 ARG 69 1HG ARG 69 -10.763 -3.803 3.848 521 HG3 ARG 69 2HG ARG 69 -9.402 -4.251 2.819 522 HD2 ARG 69 1HD ARG 69 -8.053 -4.755 4.593 523 HD3 ARG 69 2HD ARG 69 -8.586 -3.378 5.548 524 HE ARG 69 HE ARG 69 -9.664 -6.094 5.622 525 HH11 ARG 69 1HH1 ARG 69 -10.453 -2.769 6.379 526 HH12 ARG 69 2HH1 ARG 69 -11.695 -3.218 7.511 527 HH21 ARG 69 1HH2 ARG 69 -11.260 -6.608 7.081 528 HH22 ARG 69 2HH2 ARG 69 -12.130 -5.342 7.895 529 H LYS 70 H LYS 70 -6.214 -2.605 1.559 530 HA LYS 70 HA LYS 70 -6.725 -0.472 -0.492 531 HB2 LYS 70 1HB LYS 70 -4.549 -1.311 -1.423 532 HB3 LYS 70 2HB LYS 70 -4.458 -0.491 0.126 533 HG2 LYS 70 1HG LYS 70 -3.564 -2.237 1.177 534 HG3 LYS 70 2HG LYS 70 -4.687 -3.405 0.506 535 HD2 LYS 70 1HD LYS 70 -2.591 -2.353 -1.366 536 HD3 LYS 70 2HD LYS 70 -2.025 -3.369 -0.051 537 HE2 LYS 70 1HE LYS 70 -4.292 -4.171 -1.930 538 HE3 LYS 70 2HE LYS 70 -2.593 -4.540 -2.232 539 HZ1 LYS 70 3HZ LYS 70 -2.828 -6.314 -1.051 540 HZ2 LYS 70 1HZ LYS 70 -4.367 -5.965 -0.605 541 HZ3 LYS 70 2HZ LYS 70 -3.124 -5.445 0.332 542 H VAL 71 H VAL 71 -8.319 -1.075 -1.735 543 HA VAL 71 HA VAL 71 -8.019 -3.462 -3.473 544 HB VAL 71 HB VAL 71 -10.554 -3.088 -1.820 545 HG11 VAL 71 1HG1 VAL 71 -9.864 -4.969 -4.118 546 HG12 VAL 71 2HG1 VAL 71 -11.211 -5.257 -2.997 547 HG13 VAL 71 3HG1 VAL 71 -11.223 -3.827 -4.020 548 HG21 VAL 71 3HG2 VAL 71 -8.489 -5.324 -1.835 549 HG22 VAL 71 1HG2 VAL 71 -8.883 -4.236 -0.479 550 HG23 VAL 71 2HG2 VAL 71 -10.071 -5.407 -1.029 551 H ALA 72 H ALA 72 -10.692 -1.231 -2.809 552 HA ALA 72 HA ALA 72 -10.485 0.508 -4.992 553 HB1 ALA 72 3HB ALA 72 -12.760 -1.281 -5.770 554 HB2 ALA 72 1HB ALA 72 -11.612 -0.373 -6.766 555 HB3 ALA 72 2HB ALA 72 -11.156 -1.938 -6.096 556 H SER 73 H SER 73 -12.913 -1.399 -3.222 557 HA SER 73 HA SER 73 -14.362 1.079 -2.350 558 HB2 SER 73 1HB SER 73 -15.284 -1.094 -3.934 559 HB3 SER 73 2HB SER 73 -15.995 -1.340 -2.343 560 HG SER 73 HG SER 73 -16.432 0.663 -4.218 561 H ALA 74 H ALA 74 -12.428 -1.297 -1.121 562 HA ALA 74 HA ALA 74 -13.875 -2.139 1.226 563 HB1 ALA 74 3HB ALA 74 -10.921 -2.334 0.533 564 HB2 ALA 74 1HB ALA 74 -11.792 -3.229 1.804 565 HB3 ALA 74 2HB ALA 74 -12.184 -3.515 0.108 566 H GLU 75 H GLU 75 -11.093 -0.008 0.822 567 HA GLU 75 HA GLU 75 -10.002 1.510 1.948 568 HB2 GLU 75 1HB GLU 75 -11.111 3.507 2.534 569 HB3 GLU 75 2HB GLU 75 -11.788 2.812 1.066 570 HG2 GLU 75 1HG GLU 75 -13.785 2.071 2.251 571 HG3 GLU 75 2HG GLU 75 -13.145 2.684 3.781 Start of MODEL 10 1 H1 ALA 1 1H ALA 1 -15.403 19.421 -6.905 2 H2 ALA 1 2H ALA 1 -15.968 19.317 -5.370 3 H3 ALA 1 3H ALA 1 -14.906 20.491 -5.774 4 HA ALA 1 HA ALA 1 -13.645 18.183 -6.496 5 HB1 ALA 1 3HB ALA 1 -12.437 20.107 -5.697 6 HB2 ALA 1 1HB ALA 1 -13.205 20.008 -4.097 7 HB3 ALA 1 2HB ALA 1 -12.078 18.742 -4.628 8 H GLY 2 H GLY 2 -14.842 16.297 -6.281 9 HA2 GLY 2 1HA GLY 2 -14.909 15.039 -3.614 10 HA3 GLY 2 2HA GLY 2 -16.489 15.395 -4.313 11 H HIS 3 H HIS 3 -13.519 14.273 -5.947 12 HA HIS 3 HA HIS 3 -14.968 12.023 -7.220 13 HB2 HIS 3 1HB HIS 3 -12.111 13.034 -7.509 14 HB3 HIS 3 2HB HIS 3 -12.777 11.657 -8.381 15 HD1 HIS 3 HD1 HIS 3 -11.779 14.561 -9.652 16 HD2 HIS 3 HD2 HIS 3 -15.677 12.992 -9.151 17 HE1 HIS 3 HE1 HIS 3 -13.271 15.709 -11.415 18 HE2 HIS 3 HE2 HIS 3 -15.640 14.754 -11.094 19 H MET 4 H MET 4 -15.353 10.365 -5.969 20 HA MET 4 HA MET 4 -13.631 9.356 -3.874 21 HB2 MET 4 1HB MET 4 -16.239 8.656 -5.135 22 HB3 MET 4 2HB MET 4 -15.341 7.258 -4.590 23 HG2 MET 4 1HG MET 4 -15.728 7.653 -2.439 24 HG3 MET 4 2HG MET 4 -15.296 9.352 -2.537 25 HE1 MET 4 3HE MET 4 -16.547 11.106 -3.356 26 HE2 MET 4 1HE MET 4 -18.272 11.141 -3.775 27 HE3 MET 4 2HE MET 4 -17.766 11.318 -2.082 28 HA PRO 5 HA PRO 5 -10.841 6.752 -6.069 29 HB2 PRO 5 1HB PRO 5 -10.405 4.647 -4.366 30 HB3 PRO 5 2HB PRO 5 -9.900 6.325 -4.019 31 HG2 PRO 5 1HG PRO 5 -12.409 4.915 -3.063 32 HG3 PRO 5 2HG PRO 5 -11.232 5.874 -2.107 33 HD2 PRO 5 1HD PRO 5 -13.530 6.954 -3.005 34 HD3 PRO 5 2HD PRO 5 -12.015 7.899 -2.943 35 H GLU 6 H GLU 6 -12.205 6.289 -7.895 36 HA GLU 6 HA GLU 6 -13.779 3.835 -8.055 37 HB2 GLU 6 1HB GLU 6 -12.869 5.917 -10.055 38 HB3 GLU 6 2HB GLU 6 -13.429 4.348 -10.623 39 HG2 GLU 6 1HG GLU 6 -15.505 4.760 -9.072 40 HG3 GLU 6 2HG GLU 6 -14.999 6.449 -9.126 41 H GLY 7 H GLY 7 -10.738 4.638 -9.812 42 HA2 GLY 7 1HA GLY 7 -8.858 3.288 -10.208 43 HA3 GLY 7 2HA GLY 7 -9.622 1.950 -9.355 44 H SER 8 H SER 8 -10.426 0.312 -10.540 45 HA SER 8 HA SER 8 -11.148 0.648 -13.385 46 HB2 SER 8 1HB SER 8 -8.619 0.090 -13.135 47 HB3 SER 8 2HB SER 8 -9.166 -1.512 -12.612 48 HG SER 8 HG SER 8 -9.522 -0.200 -15.112 49 H ALA 9 H ALA 9 -11.778 -1.597 -14.275 50 HA ALA 9 HA ALA 9 -13.958 -2.633 -12.575 51 HB1 ALA 9 3HB ALA 9 -13.251 -3.053 -15.508 52 HB2 ALA 9 1HB ALA 9 -14.710 -3.670 -14.699 53 HB3 ALA 9 2HB ALA 9 -14.456 -1.922 -14.849 54 H SER 10 H SER 10 -12.083 -3.495 -11.175 55 HA SER 10 HA SER 10 -11.761 -6.408 -11.713 56 HB2 SER 10 1HB SER 10 -9.430 -4.867 -10.561 57 HB3 SER 10 2HB SER 10 -9.457 -6.469 -11.308 58 HG SER 10 HG SER 10 -8.501 -4.726 -12.580 59 H LEU 11 H LEU 11 -10.982 -7.565 -9.737 60 HA LEU 11 HA LEU 11 -12.018 -6.363 -7.179 61 HB2 LEU 11 1HB LEU 11 -11.918 -9.199 -8.245 62 HB3 LEU 11 2HB LEU 11 -11.894 -8.915 -6.522 63 HG LEU 11 HG LEU 11 -14.102 -9.441 -7.283 64 HD11 LEU 11 1HD1 LEU 11 -13.479 -7.455 -5.492 65 HD12 LEU 11 2HD1 LEU 11 -15.091 -8.126 -5.760 66 HD13 LEU 11 3HD1 LEU 11 -14.619 -6.615 -6.557 67 HD21 LEU 11 3HD2 LEU 11 -14.162 -6.839 -8.846 68 HD22 LEU 11 1HD2 LEU 11 -15.459 -8.036 -8.682 69 HD23 LEU 11 2HD2 LEU 11 -13.978 -8.453 -9.568 70 H GLN 12 H GLN 12 -9.361 -8.324 -8.520 71 HA GLN 12 HA GLN 12 -7.728 -8.297 -6.134 72 HB2 GLN 12 1HB GLN 12 -6.825 -8.704 -9.018 73 HB3 GLN 12 2HB GLN 12 -5.989 -9.204 -7.545 74 HG2 GLN 12 1HG GLN 12 -7.940 -10.739 -7.034 75 HG3 GLN 12 2HG GLN 12 -8.597 -10.348 -8.629 76 HE21 GLN 12 2HE2 GLN 12 -7.746 -11.473 -10.460 77 HE22 GLN 12 1HE2 GLN 12 -6.394 -12.586 -10.294 78 H LEU 13 H LEU 13 -5.441 -7.390 -6.243 79 HA LEU 13 HA LEU 13 -5.536 -4.516 -7.030 80 HB2 LEU 13 1HB LEU 13 -5.292 -5.505 -4.559 81 HB3 LEU 13 2HB LEU 13 -3.608 -5.671 -5.016 82 HG LEU 13 HG LEU 13 -4.043 -3.643 -3.792 83 HD11 LEU 13 1HD1 LEU 13 -2.293 -3.602 -5.625 84 HD12 LEU 13 2HD1 LEU 13 -2.966 -2.017 -5.163 85 HD13 LEU 13 3HD1 LEU 13 -3.488 -2.777 -6.646 86 HD21 LEU 13 3HD2 LEU 13 -5.659 -2.100 -4.180 87 HD22 LEU 13 1HD2 LEU 13 -6.456 -3.476 -4.980 88 HD23 LEU 13 2HD2 LEU 13 -5.608 -2.279 -5.935 89 H ALA 14 H ALA 14 -4.209 -3.790 -8.529 90 HA ALA 14 HA ALA 14 -1.605 -5.060 -9.105 91 HB1 ALA 14 3HB ALA 14 -3.744 -4.533 -11.221 92 HB2 ALA 14 1HB ALA 14 -2.096 -5.121 -11.532 93 HB3 ALA 14 2HB ALA 14 -3.236 -6.132 -10.634 94 H VAL 15 H VAL 15 -0.496 -3.662 -10.918 95 HA VAL 15 HA VAL 15 -0.053 -1.019 -9.905 96 HB VAL 15 HB VAL 15 0.696 -2.175 -12.617 97 HG11 VAL 15 1HG1 VAL 15 2.479 -0.409 -12.556 98 HG12 VAL 15 2HG1 VAL 15 0.857 0.268 -12.686 99 HG13 VAL 15 3HG1 VAL 15 1.702 0.291 -11.121 100 HG21 VAL 15 3HG2 VAL 15 2.925 -2.502 -11.548 101 HG22 VAL 15 1HG2 VAL 15 2.246 -1.985 -9.990 102 HG23 VAL 15 2HG2 VAL 15 1.682 -3.479 -10.770 103 H GLY 16 H GLY 16 -0.982 0.888 -10.291 104 HA2 GLY 16 1HA GLY 16 -2.208 2.542 -11.372 105 HA3 GLY 16 2HA GLY 16 -2.697 1.403 -12.622 106 H ASP 17 H ASP 17 -3.460 -0.216 -9.812 107 HA ASP 17 HA ASP 17 -6.286 0.440 -9.983 108 HB2 ASP 17 1HB ASP 17 -5.018 -1.792 -9.299 109 HB3 ASP 17 2HB ASP 17 -5.094 -1.086 -7.687 110 H ARG 18 H ARG 18 -7.486 0.886 -7.832 111 HA ARG 18 HA ARG 18 -6.338 3.391 -6.668 112 HB2 ARG 18 1HB ARG 18 -9.134 2.477 -7.256 113 HB3 ARG 18 2HB ARG 18 -8.943 3.270 -5.710 114 HG2 ARG 18 1HG ARG 18 -8.007 4.492 -8.338 115 HG3 ARG 18 2HG ARG 18 -9.550 4.834 -7.529 116 HD2 ARG 18 1HD ARG 18 -8.209 5.547 -5.487 117 HD3 ARG 18 2HD ARG 18 -6.760 5.450 -6.502 118 HE ARG 18 HE ARG 18 -8.891 7.079 -7.665 119 HH11 ARG 18 1HH1 ARG 18 -6.000 7.211 -5.674 120 HH12 ARG 18 2HH1 ARG 18 -5.905 8.946 -5.828 121 HH21 ARG 18 1HH2 ARG 18 -8.725 9.270 -7.757 122 HH22 ARG 18 2HH2 ARG 18 -7.416 10.078 -6.955 123 H VAL 19 H VAL 19 -6.281 3.788 -4.569 124 HA VAL 19 HA VAL 19 -6.976 1.757 -2.559 125 HB VAL 19 HB VAL 19 -4.788 1.781 -1.517 126 HG11 VAL 19 1HG1 VAL 19 -5.225 0.040 -3.232 127 HG12 VAL 19 2HG1 VAL 19 -4.440 1.059 -4.450 128 HG13 VAL 19 3HG1 VAL 19 -3.500 0.461 -3.078 129 HG21 VAL 19 3HG2 VAL 19 -4.083 3.761 -3.679 130 HG22 VAL 19 1HG2 VAL 19 -3.725 3.755 -1.932 131 HG23 VAL 19 2HG2 VAL 19 -2.835 2.703 -3.040 132 H VAL 20 H VAL 20 -7.540 2.680 -0.648 133 HA VAL 20 HA VAL 20 -6.919 5.515 -0.111 134 HB VAL 20 HB VAL 20 -8.986 5.657 -1.246 135 HG11 VAL 20 1HG1 VAL 20 -9.976 3.576 -1.326 136 HG12 VAL 20 2HG1 VAL 20 -9.890 3.325 0.418 137 HG13 VAL 20 3HG1 VAL 20 -11.070 4.464 -0.259 138 HG21 VAL 20 3HG2 VAL 20 -9.639 5.894 1.698 139 HG22 VAL 20 1HG2 VAL 20 -8.747 7.091 0.745 140 HG23 VAL 20 2HG2 VAL 20 -10.429 6.718 0.352 141 H TYR 21 H TYR 21 -6.818 6.045 2.058 142 HA TYR 21 HA TYR 21 -6.482 3.761 3.918 143 HB2 TYR 21 1HB TYR 21 -5.580 6.578 3.733 144 HB3 TYR 21 2HB TYR 21 -6.150 6.122 5.323 145 HD1 TYR 21 HD2 TYR 21 -4.236 4.030 2.813 146 HD2 TYR 21 HD1 TYR 21 -4.278 5.961 6.685 147 HE1 TYR 21 HE2 TYR 21 -2.053 2.953 3.405 148 HE2 TYR 21 HE1 TYR 21 -2.104 4.940 7.224 149 HH TYR 21 HH TYR 21 -0.476 3.516 6.571 150 HA PRO 22 HA PRO 22 -10.376 4.080 5.939 151 HB2 PRO 22 1HB PRO 22 -9.842 3.519 8.558 152 HB3 PRO 22 2HB PRO 22 -9.687 2.316 7.243 153 HG2 PRO 22 1HG PRO 22 -7.495 3.995 8.493 154 HG3 PRO 22 2HG PRO 22 -7.492 2.232 8.172 155 HD2 PRO 22 1HD PRO 22 -6.344 4.026 6.474 156 HD3 PRO 22 2HD PRO 22 -7.176 2.570 5.848 157 H ASN 23 H ASN 23 -7.837 6.197 7.151 158 HA ASN 23 HA ASN 23 -9.699 8.416 7.379 159 HB2 ASN 23 1HB ASN 23 -9.838 7.013 9.586 160 HB3 ASN 23 2HB ASN 23 -8.265 7.685 9.967 161 HD21 ASN 23 2HD2 ASN 23 -10.933 8.046 11.271 162 HD22 ASN 23 1HD2 ASN 23 -11.218 9.782 11.220 163 H GLN 24 H GLN 24 -7.930 8.639 5.587 164 HA GLN 24 HA GLN 24 -5.961 10.610 6.530 165 HB2 GLN 24 1HB GLN 24 -5.156 7.882 5.969 166 HB3 GLN 24 2HB GLN 24 -4.357 8.946 4.836 167 HG2 GLN 24 1HG GLN 24 -4.318 9.478 7.830 168 HG3 GLN 24 2HG GLN 24 -3.214 8.341 7.071 169 HE21 GLN 24 2HE2 GLN 24 -1.616 9.129 5.507 170 HE22 GLN 24 1HE2 GLN 24 -1.191 10.838 5.556 171 H GLY 25 H GLY 25 -6.351 8.662 3.519 172 HA2 GLY 25 1HA GLY 25 -7.520 10.625 1.859 173 HA3 GLY 25 2HA GLY 25 -5.765 10.838 1.791 174 H VAL 26 H VAL 26 -6.640 10.327 -0.513 175 HA VAL 26 HA VAL 26 -6.680 7.414 -1.139 176 HB VAL 26 HB VAL 26 -7.402 8.028 -3.347 177 HG11 VAL 26 1HG1 VAL 26 -9.589 8.934 -2.882 178 HG12 VAL 26 2HG1 VAL 26 -9.118 7.879 -1.550 179 HG13 VAL 26 3HG1 VAL 26 -9.039 9.639 -1.350 180 HG21 VAL 26 3HG2 VAL 26 -8.018 10.434 -3.879 181 HG22 VAL 26 1HG2 VAL 26 -7.054 10.930 -2.479 182 HG23 VAL 26 2HG2 VAL 26 -6.281 10.105 -3.842 183 H CYS 27 H CYS 27 -5.218 6.469 -2.600 184 HA CYS 27 HA CYS 27 -2.906 8.094 -3.510 185 HB2 CYS 27 1HB CYS 27 -2.418 5.330 -2.360 186 HB3 CYS 27 2HB CYS 27 -1.255 6.581 -2.742 187 HG CYS 27 HG CYS 27 -3.423 6.322 -0.256 188 H ARG 28 H ARG 28 -1.450 6.506 -4.951 189 HA ARG 28 HA ARG 28 -3.159 4.817 -6.701 190 HB2 ARG 28 1HB ARG 28 -2.030 7.443 -7.375 191 HB3 ARG 28 2HB ARG 28 -1.264 6.203 -8.345 192 HG2 ARG 28 1HG ARG 28 -3.849 5.398 -8.644 193 HG3 ARG 28 2HG ARG 28 -4.118 7.124 -8.325 194 HD2 ARG 28 1HD ARG 28 -2.535 7.681 -10.161 195 HD3 ARG 28 2HD ARG 28 -2.227 5.949 -10.411 196 HE ARG 28 HE ARG 28 -5.032 6.413 -10.636 197 HH11 ARG 28 1HH1 ARG 28 -2.126 7.078 -12.443 198 HH12 ARG 28 2HH1 ARG 28 -2.939 7.012 -13.984 199 HH21 ARG 28 1HH2 ARG 28 -6.044 6.385 -12.612 200 HH22 ARG 28 2HH2 ARG 28 -5.121 6.652 -14.061 201 H VAL 29 H VAL 29 -2.298 2.936 -7.106 202 HA VAL 29 HA VAL 29 0.193 2.064 -5.970 203 HB VAL 29 HB VAL 29 -1.539 0.724 -8.070 204 HG11 VAL 29 1HG1 VAL 29 0.571 -0.446 -6.181 205 HG12 VAL 29 2HG1 VAL 29 -0.521 -1.384 -7.225 206 HG13 VAL 29 3HG1 VAL 29 0.709 -0.338 -7.942 207 HG21 VAL 29 3HG2 VAL 29 -2.766 -0.244 -6.385 208 HG22 VAL 29 1HG2 VAL 29 -1.518 0.020 -5.127 209 HG23 VAL 29 2HG2 VAL 29 -2.538 1.348 -5.692 210 H SER 30 H SER 30 2.206 2.099 -6.678 211 HA SER 30 HA SER 30 2.785 2.948 -9.493 212 HB2 SER 30 1HB SER 30 3.403 4.489 -7.656 213 HB3 SER 30 2HB SER 30 4.479 3.264 -6.983 214 HG SER 30 HG SER 30 5.731 3.374 -8.870 215 H ALA 31 H ALA 31 4.127 0.910 -6.840 216 HA ALA 31 HA ALA 31 4.840 -1.219 -8.719 217 HB1 ALA 31 3HB ALA 31 6.800 0.267 -8.903 218 HB2 ALA 31 1HB ALA 31 6.963 0.311 -7.133 219 HB3 ALA 31 2HB ALA 31 7.241 -1.205 -8.022 220 H ILE 32 H ILE 32 5.636 -3.152 -7.539 221 HA ILE 32 HA ILE 32 5.017 -3.271 -4.637 222 HB ILE 32 HB ILE 32 3.728 -5.118 -6.702 223 HG12 ILE 32 1HG1 ILE 32 2.386 -3.061 -4.890 224 HG13 ILE 32 2HG1 ILE 32 2.632 -2.845 -6.602 225 HG21 ILE 32 1HG2 ILE 32 4.329 -6.324 -4.663 226 HG22 ILE 32 2HG2 ILE 32 3.636 -5.055 -3.643 227 HG23 ILE 32 3HG2 ILE 32 2.599 -6.088 -4.646 228 HD11 ILE 32 3HD1 ILE 32 1.098 -4.488 -7.241 229 HD12 ILE 32 1HD1 ILE 32 0.932 -5.136 -5.595 230 HD13 ILE 32 2HD1 ILE 32 0.324 -3.523 -5.971 231 H ASP 33 H ASP 33 6.358 -4.683 -3.557 232 HA ASP 33 HA ASP 33 7.865 -6.719 -5.056 233 HB2 ASP 33 1HB ASP 33 9.132 -4.431 -5.045 234 HB3 ASP 33 2HB ASP 33 9.388 -4.736 -3.330 235 H VAL 34 H VAL 34 9.293 -8.029 -3.426 236 HA VAL 34 HA VAL 34 7.937 -8.243 -0.763 237 HB VAL 34 HB VAL 34 7.152 -10.083 -2.006 238 HG11 VAL 34 1HG1 VAL 34 8.348 -10.692 -3.822 239 HG12 VAL 34 2HG1 VAL 34 9.914 -10.279 -3.094 240 HG13 VAL 34 3HG1 VAL 34 9.142 -11.822 -2.716 241 HG21 VAL 34 3HG2 VAL 34 9.401 -11.227 -0.325 242 HG22 VAL 34 1HG2 VAL 34 7.927 -10.524 0.356 243 HG23 VAL 34 2HG2 VAL 34 7.813 -11.940 -0.685 244 H LYS 35 H LYS 35 9.162 -8.516 0.992 245 HA LYS 35 HA LYS 35 12.040 -8.968 0.874 246 HB2 LYS 35 1HB LYS 35 12.642 -6.871 2.096 247 HB3 LYS 35 2HB LYS 35 12.179 -6.613 0.423 248 HG2 LYS 35 1HG LYS 35 10.140 -5.601 0.974 249 HG3 LYS 35 2HG LYS 35 10.112 -6.273 2.607 250 HD2 LYS 35 1HD LYS 35 12.357 -4.390 1.885 251 HD3 LYS 35 2HD LYS 35 10.747 -3.717 2.151 252 HE2 LYS 35 1HE LYS 35 10.792 -4.017 4.372 253 HE3 LYS 35 2HE LYS 35 11.361 -5.675 4.224 254 HZ1 LYS 35 3HZ LYS 35 13.565 -4.145 3.615 255 HZ2 LYS 35 1HZ LYS 35 13.294 -4.919 5.024 256 HZ3 LYS 35 2HZ LYS 35 12.880 -3.347 4.862 257 H GLU 36 H GLU 36 13.014 -9.016 3.019 258 HA GLU 36 HA GLU 36 11.144 -10.065 5.098 259 HB2 GLU 36 1HB GLU 36 13.641 -11.032 4.112 260 HB3 GLU 36 2HB GLU 36 13.976 -10.376 5.715 261 HG2 GLU 36 1HG GLU 36 11.820 -11.717 6.413 262 HG3 GLU 36 2HG GLU 36 12.114 -12.594 4.909 263 H VAL 37 H VAL 37 10.540 -8.687 6.630 264 HA VAL 37 HA VAL 37 12.557 -6.731 7.681 265 HB VAL 37 HB VAL 37 10.763 -5.639 6.363 266 HG11 VAL 37 1HG1 VAL 37 8.863 -7.110 6.986 267 HG12 VAL 37 2HG1 VAL 37 8.886 -6.435 8.624 268 HG13 VAL 37 3HG1 VAL 37 8.527 -5.379 7.250 269 HG21 VAL 37 3HG2 VAL 37 10.341 -4.636 9.148 270 HG22 VAL 37 1HG2 VAL 37 12.010 -4.705 8.553 271 HG23 VAL 37 2HG2 VAL 37 10.794 -3.782 7.661 272 H ALA 38 H ALA 38 12.859 -6.705 9.848 273 HA ALA 38 HA ALA 38 13.006 -7.632 11.924 274 HB1 ALA 38 3HB ALA 38 9.979 -7.406 11.736 275 HB2 ALA 38 1HB ALA 38 10.948 -7.418 13.224 276 HB3 ALA 38 2HB ALA 38 11.100 -6.073 12.080 277 H GLY 39 H GLY 39 13.016 -9.667 9.825 278 HA2 GLY 39 1HA GLY 39 13.272 -11.989 9.824 279 HA3 GLY 39 2HA GLY 39 12.560 -12.081 11.426 280 H GLN 40 H GLN 40 10.787 -10.466 8.806 281 HA GLN 40 HA GLN 40 8.996 -12.812 8.444 282 HB2 GLN 40 1HB GLN 40 8.295 -11.138 10.310 283 HB3 GLN 40 2HB GLN 40 7.937 -10.018 8.988 284 HG2 GLN 40 1HG GLN 40 6.419 -11.779 7.997 285 HG3 GLN 40 2HG GLN 40 6.776 -12.811 9.390 286 HE21 GLN 40 2HE2 GLN 40 4.225 -12.601 9.299 287 HE22 GLN 40 1HE2 GLN 40 3.602 -11.317 10.331 288 H LYS 41 H LYS 41 8.802 -13.203 6.338 289 HA LYS 41 HA LYS 41 9.303 -11.067 4.340 290 HB2 LYS 41 1HB LYS 41 10.263 -13.634 4.471 291 HB3 LYS 41 2HB LYS 41 8.872 -13.886 3.432 292 HG2 LYS 41 1HG LYS 41 9.649 -12.227 1.845 293 HG3 LYS 41 2HG LYS 41 10.930 -11.696 2.933 294 HD2 LYS 41 1HD LYS 41 12.361 -13.267 2.288 295 HD3 LYS 41 2HD LYS 41 11.171 -14.565 2.447 296 HE2 LYS 41 1HE LYS 41 10.212 -13.948 0.232 297 HE3 LYS 41 2HE LYS 41 11.432 -12.675 0.068 298 HZ1 LYS 41 3HZ LYS 41 12.186 -14.648 -1.072 299 HZ2 LYS 41 1HZ LYS 41 11.961 -15.595 0.237 300 HZ3 LYS 41 2HZ LYS 41 13.140 -14.463 0.239 301 H LEU 42 H LEU 42 7.737 -10.113 3.180 302 HA LEU 42 HA LEU 42 5.313 -11.536 2.450 303 HB2 LEU 42 1HB LEU 42 3.725 -10.518 3.815 304 HB3 LEU 42 2HB LEU 42 5.026 -10.803 4.925 305 HG LEU 42 HG LEU 42 5.635 -8.254 4.008 306 HD11 LEU 42 1HD1 LEU 42 2.676 -8.164 4.515 307 HD12 LEU 42 2HD1 LEU 42 3.253 -8.496 2.886 308 HD13 LEU 42 3HD1 LEU 42 3.777 -7.017 3.661 309 HD21 LEU 42 3HD2 LEU 42 3.953 -9.059 6.406 310 HD22 LEU 42 1HD2 LEU 42 4.691 -7.456 6.164 311 HD23 LEU 42 2HD2 LEU 42 5.721 -8.884 6.343 312 H THR 43 H THR 43 3.855 -10.193 1.067 313 HA THR 43 HA THR 43 5.317 -8.584 -0.817 314 HB THR 43 HB THR 43 2.282 -8.715 -0.552 315 HG1 THR 43 HG1 THR 43 4.029 -10.602 -1.767 316 HG21 THR 43 3HG2 THR 43 2.923 -7.250 -2.316 317 HG22 THR 43 1HG2 THR 43 2.511 -8.786 -3.095 318 HG23 THR 43 2HG2 THR 43 4.215 -8.342 -2.875 319 H PHE 44 H PHE 44 5.903 -6.464 -0.558 320 HA PHE 44 HA PHE 44 4.208 -4.649 1.118 321 HB2 PHE 44 1HB PHE 44 7.152 -4.488 0.418 322 HB3 PHE 44 2HB PHE 44 6.219 -3.195 1.169 323 HD1 PHE 44 HD2 PHE 44 5.255 -3.440 3.459 324 HD2 PHE 44 HD1 PHE 44 7.869 -6.408 1.736 325 HE1 PHE 44 HE2 PHE 44 5.568 -4.494 5.719 326 HE2 PHE 44 HE1 PHE 44 8.185 -7.420 3.983 327 HZ PHE 44 HZ PHE 44 6.964 -6.515 5.930 328 H VAL 45 H VAL 45 2.914 -3.434 0.007 329 HA VAL 45 HA VAL 45 3.326 -2.940 -2.878 330 HB VAL 45 HB VAL 45 1.152 -1.827 -2.777 331 HG11 VAL 45 1HG1 VAL 45 1.389 -4.242 -3.314 332 HG12 VAL 45 2HG1 VAL 45 1.240 -4.643 -1.611 333 HG13 VAL 45 3HG1 VAL 45 -0.127 -3.924 -2.492 334 HG21 VAL 45 3HG2 VAL 45 1.450 -1.503 -0.064 335 HG22 VAL 45 1HG2 VAL 45 -0.058 -1.463 -0.896 336 HG23 VAL 45 2HG2 VAL 45 0.476 -2.967 -0.092 337 H THR 46 H THR 46 3.772 -0.877 -3.789 338 HA THR 46 HA THR 46 4.262 1.362 -1.876 339 HB THR 46 HB THR 46 5.961 0.787 -4.322 340 HG1 THR 46 HG1 THR 46 6.426 -0.745 -2.792 341 HG21 THR 46 3HG2 THR 46 6.189 2.744 -1.985 342 HG22 THR 46 1HG2 THR 46 5.929 3.161 -3.694 343 HG23 THR 46 2HG2 THR 46 7.466 2.446 -3.181 344 H MET 47 H MET 47 3.019 2.999 -2.221 345 HA MET 47 HA MET 47 1.905 3.514 -4.953 346 HB2 MET 47 1HB MET 47 0.407 4.090 -2.385 347 HB3 MET 47 2HB MET 47 -0.199 4.062 -4.014 348 HG2 MET 47 1HG MET 47 -0.951 1.997 -3.475 349 HG3 MET 47 2HG MET 47 0.671 1.486 -3.841 350 HE1 MET 47 3HE MET 47 -2.099 1.733 -1.016 351 HE2 MET 47 1HE MET 47 -1.107 2.061 0.415 352 HE3 MET 47 2HE MET 47 -1.223 3.273 -0.878 353 H ARG 48 H ARG 48 1.394 5.712 -5.421 354 HA ARG 48 HA ARG 48 2.890 7.771 -3.852 355 HB2 ARG 48 1HB ARG 48 3.924 8.677 -5.830 356 HB3 ARG 48 2HB ARG 48 4.355 6.982 -5.637 357 HG2 ARG 48 1HG ARG 48 2.465 6.467 -7.326 358 HG3 ARG 48 2HG ARG 48 2.454 8.190 -7.690 359 HD2 ARG 48 1HD ARG 48 4.978 6.485 -7.778 360 HD3 ARG 48 2HD ARG 48 3.889 6.635 -9.162 361 HE ARG 48 HE ARG 48 4.484 9.265 -8.443 362 HH11 ARG 48 1HH1 ARG 48 6.366 6.515 -9.486 363 HH12 ARG 48 2HH1 ARG 48 7.542 7.504 -10.315 364 HH21 ARG 48 1HH2 ARG 48 5.984 10.483 -9.550 365 HH22 ARG 48 2HH2 ARG 48 7.310 9.699 -10.353 366 H ARG 49 H ARG 49 1.967 9.696 -3.696 367 HA ARG 49 HA ARG 49 -0.804 10.015 -4.855 368 HB2 ARG 49 1HB ARG 49 0.555 11.520 -2.559 369 HB3 ARG 49 2HB ARG 49 -1.128 11.674 -3.093 370 HG2 ARG 49 1HG ARG 49 -1.536 9.327 -2.459 371 HG3 ARG 49 2HG ARG 49 0.123 9.145 -1.903 372 HD2 ARG 49 1HD ARG 49 -1.322 11.454 -0.717 373 HD3 ARG 49 2HD ARG 49 -2.049 9.886 -0.356 374 HE ARG 49 HE ARG 49 0.519 9.338 0.226 375 HH11 ARG 49 1HH1 ARG 49 -1.476 11.981 1.302 376 HH12 ARG 49 2HH1 ARG 49 -0.597 12.179 2.793 377 HH21 ARG 49 1HH2 ARG 49 1.618 9.616 2.146 378 HH22 ARG 49 2HH2 ARG 49 1.101 10.845 3.253 379 H GLU 50 H GLU 50 -0.566 10.931 -6.809 380 HA GLU 50 HA GLU 50 1.470 12.871 -7.497 381 HB2 GLU 50 1HB GLU 50 -1.151 12.194 -8.884 382 HB3 GLU 50 2HB GLU 50 0.137 13.209 -9.553 383 HG2 GLU 50 1HG GLU 50 1.730 11.298 -9.382 384 HG3 GLU 50 2HG GLU 50 0.428 10.270 -8.784 385 H GLU 51 H GLU 51 -1.448 13.186 -5.794 386 HA GLU 51 HA GLU 51 -2.316 15.831 -6.239 387 HB2 GLU 51 1HB GLU 51 -2.259 14.204 -3.665 388 HB3 GLU 51 2HB GLU 51 -3.226 15.660 -3.926 389 HG2 GLU 51 1HG GLU 51 -4.437 14.520 -5.773 390 HG3 GLU 51 2HG GLU 51 -3.524 13.039 -5.463 391 H ASP 52 H ASP 52 0.207 14.663 -4.026 392 HA ASP 52 HA ASP 52 1.198 17.474 -3.671 393 HB2 ASP 52 1HB ASP 52 -0.101 16.332 -1.693 394 HB3 ASP 52 2HB ASP 52 1.390 15.425 -1.463 395 H GLY 53 H GLY 53 2.047 14.247 -4.530 396 HA2 GLY 53 1HA GLY 53 4.029 13.599 -5.562 397 HA3 GLY 53 2HA GLY 53 4.906 14.936 -4.827 398 H ALA 54 H ALA 54 3.041 13.328 -2.481 399 HA ALA 54 HA ALA 54 5.379 12.162 -1.173 400 HB1 ALA 54 3HB ALA 54 3.773 11.626 0.609 401 HB2 ALA 54 1HB ALA 54 3.546 13.297 0.070 402 HB3 ALA 54 2HB ALA 54 2.412 12.032 -0.457 403 H VAL 55 H VAL 55 5.378 9.932 -0.349 404 HA VAL 55 HA VAL 55 4.013 7.896 -2.057 405 HB VAL 55 HB VAL 55 6.023 6.450 -1.848 406 HG11 VAL 55 1HG1 VAL 55 6.017 7.158 -3.982 407 HG12 VAL 55 2HG1 VAL 55 5.882 8.876 -3.572 408 HG13 VAL 55 3HG1 VAL 55 7.452 8.065 -3.497 409 HG21 VAL 55 3HG2 VAL 55 7.117 7.692 0.055 410 HG22 VAL 55 1HG2 VAL 55 8.177 7.289 -1.299 411 HG23 VAL 55 2HG2 VAL 55 7.579 8.952 -1.114 412 H VAL 56 H VAL 56 3.681 5.869 -1.083 413 HA VAL 56 HA VAL 56 3.986 5.630 1.854 414 HB VAL 56 HB VAL 56 1.707 4.909 2.204 415 HG11 VAL 56 1HG1 VAL 56 2.193 7.313 2.483 416 HG12 VAL 56 2HG1 VAL 56 1.649 7.602 0.808 417 HG13 VAL 56 3HG1 VAL 56 0.507 7.001 2.028 418 HG21 VAL 56 3HG2 VAL 56 1.520 4.953 -0.735 419 HG22 VAL 56 1HG2 VAL 56 0.573 4.063 0.473 420 HG23 VAL 56 2HG2 VAL 56 0.149 5.727 0.053 421 H MET 57 H MET 57 4.004 3.464 2.582 422 HA MET 57 HA MET 57 3.795 1.314 0.589 423 HB2 MET 57 1HB MET 57 6.127 1.907 0.379 424 HB3 MET 57 2HB MET 57 6.329 1.950 2.133 425 HG2 MET 57 1HG MET 57 5.890 -0.527 2.201 426 HG3 MET 57 2HG MET 57 5.762 -0.517 0.445 427 HE1 MET 57 3HE MET 57 8.094 -0.382 3.562 428 HE2 MET 57 1HE MET 57 9.654 0.115 2.869 429 HE3 MET 57 2HE MET 57 8.314 1.273 2.948 430 H VAL 58 H VAL 58 2.675 -0.302 1.426 431 HA VAL 58 HA VAL 58 2.775 -0.803 4.356 432 HB VAL 58 HB VAL 58 0.339 -1.246 4.438 433 HG11 VAL 58 1HG1 VAL 58 -0.225 1.373 3.876 434 HG12 VAL 58 2HG1 VAL 58 0.439 0.741 5.389 435 HG13 VAL 58 3HG1 VAL 58 1.511 1.436 4.174 436 HG21 VAL 58 3HG2 VAL 58 0.189 -0.040 1.672 437 HG22 VAL 58 1HG2 VAL 58 -0.139 -1.737 2.133 438 HG23 VAL 58 2HG2 VAL 58 -1.176 -0.444 2.740 439 HA PRO 59 HA PRO 59 3.078 -5.040 3.208 440 HB2 PRO 59 1HB PRO 59 2.084 -6.252 5.442 441 HB3 PRO 59 2HB PRO 59 3.670 -5.474 5.407 442 HG2 PRO 59 1HG PRO 59 1.058 -4.346 6.418 443 HG3 PRO 59 2HG PRO 59 2.674 -4.295 7.213 444 HD2 PRO 59 1HD PRO 59 1.747 -2.194 5.825 445 HD3 PRO 59 2HD PRO 59 3.461 -2.678 5.690 446 H GLU 60 H GLU 60 1.777 -6.036 1.712 447 HA GLU 60 HA GLU 60 -1.119 -5.807 1.715 448 HB2 GLU 60 1HB GLU 60 0.921 -6.824 -0.092 449 HB3 GLU 60 2HB GLU 60 -0.384 -7.996 0.030 450 HG2 GLU 60 1HG GLU 60 -0.734 -5.045 -0.530 451 HG3 GLU 60 2HG GLU 60 -0.634 -6.272 -1.782 452 H GLY 61 H GLY 61 1.050 -8.351 2.844 453 HA2 GLY 61 1HA GLY 61 -1.222 -10.133 3.602 454 HA3 GLY 61 2HA GLY 61 0.499 -10.514 3.722 455 H LYS 62 H LYS 62 -0.040 -7.487 5.017 456 HA LYS 62 HA LYS 62 -0.627 -8.451 7.794 457 HB2 LYS 62 1HB LYS 62 1.926 -8.040 6.941 458 HB3 LYS 62 2HB LYS 62 1.499 -6.415 7.494 459 HG2 LYS 62 1HG LYS 62 1.123 -7.146 9.716 460 HG3 LYS 62 2HG LYS 62 1.361 -8.849 9.254 461 HD2 LYS 62 1HD LYS 62 3.641 -8.618 8.929 462 HD3 LYS 62 2HD LYS 62 3.579 -6.916 8.482 463 HE2 LYS 62 1HE LYS 62 2.764 -7.595 11.298 464 HE3 LYS 62 2HE LYS 62 4.462 -7.863 10.897 465 HZ1 LYS 62 3HZ LYS 62 4.651 -5.570 10.206 466 HZ2 LYS 62 1HZ LYS 62 4.042 -5.593 11.716 467 HZ3 LYS 62 2HZ LYS 62 3.057 -5.281 10.451 468 H VAL 63 H VAL 63 -1.567 -6.330 5.416 469 HA VAL 63 HA VAL 63 -2.140 -3.892 6.562 470 HB VAL 63 HB VAL 63 -4.337 -4.007 5.363 471 HG11 VAL 63 1HG1 VAL 63 -3.503 -3.424 3.297 472 HG12 VAL 63 2HG1 VAL 63 -2.157 -3.072 4.396 473 HG13 VAL 63 3HG1 VAL 63 -2.143 -4.536 3.391 474 HG21 VAL 63 3HG2 VAL 63 -3.531 -6.304 3.696 475 HG22 VAL 63 1HG2 VAL 63 -4.236 -6.676 5.271 476 HG23 VAL 63 2HG2 VAL 63 -5.124 -5.674 4.117 477 H LEU 64 H LEU 64 -3.653 -6.911 7.377 478 HA LEU 64 HA LEU 64 -5.957 -6.068 8.769 479 HB2 LEU 64 1HB LEU 64 -4.239 -8.432 9.570 480 HB3 LEU 64 2HB LEU 64 -5.982 -8.248 9.712 481 HG LEU 64 HG LEU 64 -4.371 -8.752 7.152 482 HD11 LEU 64 1HD1 LEU 64 -5.590 -10.850 7.118 483 HD12 LEU 64 2HD1 LEU 64 -6.534 -10.383 8.550 484 HD13 LEU 64 3HD1 LEU 64 -4.787 -10.677 8.688 485 HD21 LEU 64 3HD2 LEU 64 -6.261 -7.256 6.576 486 HD22 LEU 64 1HD2 LEU 64 -7.384 -8.312 7.458 487 HD23 LEU 64 2HD2 LEU 64 -6.559 -8.896 5.995 488 H ALA 65 H ALA 65 -2.586 -6.004 9.769 489 HA ALA 65 HA ALA 65 -3.048 -5.498 12.597 490 HB1 ALA 65 3HB ALA 65 -0.549 -5.081 10.892 491 HB2 ALA 65 1HB ALA 65 -0.636 -5.201 12.659 492 HB3 ALA 65 2HB ALA 65 -1.011 -6.617 11.658 493 H ILE 66 H ILE 66 -2.039 -3.449 9.819 494 HA ILE 66 HA ILE 66 -2.042 -0.959 11.312 495 HB ILE 66 HB ILE 66 -2.234 -1.365 8.298 496 HG12 ILE 66 1HG1 ILE 66 0.365 -0.518 8.836 497 HG13 ILE 66 2HG1 ILE 66 0.062 -1.566 10.211 498 HG21 ILE 66 1HG2 ILE 66 -2.837 0.941 8.978 499 HG22 ILE 66 2HG2 ILE 66 -1.339 1.066 9.916 500 HG23 ILE 66 3HG2 ILE 66 -1.288 0.913 8.146 501 HD11 ILE 66 3HD1 ILE 66 -0.191 -2.278 7.255 502 HD12 ILE 66 1HD1 ILE 66 1.083 -2.795 8.385 503 HD13 ILE 66 2HD1 ILE 66 -0.574 -3.392 8.587 504 H GLY 67 H GLY 67 -4.495 -2.703 9.491 505 HA2 GLY 67 1HA GLY 67 -6.837 -2.530 9.784 506 HA3 GLY 67 2HA GLY 67 -6.659 -0.924 10.485 507 H VAL 68 H VAL 68 -4.778 -1.135 7.689 508 HA VAL 68 HA VAL 68 -6.642 0.623 6.210 509 HB VAL 68 HB VAL 68 -4.702 1.049 4.735 510 HG11 VAL 68 1HG1 VAL 68 -3.209 1.978 6.764 511 HG12 VAL 68 2HG1 VAL 68 -4.740 2.659 6.288 512 HG13 VAL 68 3HG1 VAL 68 -4.665 1.577 7.681 513 HG21 VAL 68 3HG2 VAL 68 -3.218 -0.652 4.569 514 HG22 VAL 68 1HG2 VAL 68 -2.384 0.231 5.836 515 HG23 VAL 68 2HG2 VAL 68 -3.380 -1.176 6.247 516 H ARG 69 H ARG 69 -7.976 -0.104 4.583 517 HA ARG 69 HA ARG 69 -7.255 -2.726 3.300 518 HB2 ARG 69 1HB ARG 69 -9.807 -1.607 4.262 519 HB3 ARG 69 2HB ARG 69 -9.877 -2.083 2.573 520 HG2 ARG 69 1HG ARG 69 -10.510 -4.003 3.837 521 HG3 ARG 69 2HG ARG 69 -8.892 -4.315 3.228 522 HD2 ARG 69 1HD ARG 69 -8.576 -4.991 5.389 523 HD3 ARG 69 2HD ARG 69 -8.161 -3.287 5.604 524 HE ARG 69 HE ARG 69 -10.980 -3.644 6.009 525 HH11 ARG 69 1HH1 ARG 69 -7.996 -4.329 7.673 526 HH12 ARG 69 2HH1 ARG 69 -8.786 -4.516 9.220 527 HH21 ARG 69 1HH2 ARG 69 -11.943 -3.921 7.985 528 HH22 ARG 69 2HH2 ARG 69 -10.969 -4.269 9.381 529 H LYS 70 H LYS 70 -6.121 -2.436 1.578 530 HA LYS 70 HA LYS 70 -6.776 -0.159 -0.296 531 HB2 LYS 70 1HB LYS 70 -4.481 -0.781 -1.216 532 HB3 LYS 70 2HB LYS 70 -4.540 0.087 0.309 533 HG2 LYS 70 1HG LYS 70 -3.789 -1.697 1.562 534 HG3 LYS 70 2HG LYS 70 -4.385 -2.933 0.451 535 HD2 LYS 70 1HD LYS 70 -2.116 -1.050 -0.229 536 HD3 LYS 70 2HD LYS 70 -1.888 -2.637 0.530 537 HE2 LYS 70 1HE LYS 70 -2.032 -3.708 -1.402 538 HE3 LYS 70 2HE LYS 70 -3.643 -3.079 -1.679 539 HZ1 LYS 70 3HZ LYS 70 -1.942 -2.532 -3.438 540 HZ2 LYS 70 1HZ LYS 70 -1.192 -1.534 -2.385 541 HZ3 LYS 70 2HZ LYS 70 -2.729 -1.218 -2.854 542 H VAL 71 H VAL 71 -8.276 -0.854 -1.631 543 HA VAL 71 HA VAL 71 -7.751 -3.081 -3.439 544 HB VAL 71 HB VAL 71 -10.463 -3.217 -2.202 545 HG11 VAL 71 1HG1 VAL 71 -8.649 -4.965 -3.777 546 HG12 VAL 71 2HG1 VAL 71 -9.467 -5.806 -2.471 547 HG13 VAL 71 3HG1 VAL 71 -10.419 -4.933 -3.672 548 HG21 VAL 71 3HG2 VAL 71 -9.177 -3.185 -0.124 549 HG22 VAL 71 1HG2 VAL 71 -9.877 -4.770 -0.439 550 HG23 VAL 71 2HG2 VAL 71 -8.153 -4.519 -0.729 551 H ALA 72 H ALA 72 -9.563 -3.227 -5.125 552 HA ALA 72 HA ALA 72 -10.040 -0.800 -6.402 553 HB1 ALA 72 3HB ALA 72 -10.060 -2.959 -7.516 554 HB2 ALA 72 1HB ALA 72 -11.505 -3.463 -6.606 555 HB3 ALA 72 2HB ALA 72 -11.610 -2.148 -7.796 556 H SER 73 H SER 73 -11.879 -2.049 -3.770 557 HA SER 73 HA SER 73 -13.719 0.299 -3.894 558 HB2 SER 73 1HB SER 73 -14.622 -2.571 -3.484 559 HB3 SER 73 2HB SER 73 -15.589 -1.158 -3.022 560 HG SER 73 HG SER 73 -16.175 -1.809 -5.092 561 H ALA 74 H ALA 74 -12.671 -2.438 -1.791 562 HA ALA 74 HA ALA 74 -13.476 -1.310 0.664 563 HB1 ALA 74 3HB ALA 74 -11.308 -2.982 1.232 564 HB2 ALA 74 1HB ALA 74 -13.015 -3.422 1.145 565 HB3 ALA 74 2HB ALA 74 -11.978 -3.631 -0.268 566 H GLU 75 H GLU 75 -12.485 -0.327 2.321 567 HA GLU 75 HA GLU 75 -10.090 1.405 1.908 568 HB2 GLU 75 1HB GLU 75 -12.102 2.651 1.270 569 HB3 GLU 75 2HB GLU 75 -12.882 2.226 2.795 570 HG2 GLU 75 1HG GLU 75 -11.097 3.455 4.030 571 HG3 GLU 75 2HG GLU 75 -10.382 3.938 2.508 Start of MODEL 11 1 H1 ALA 1 1H ALA 1 -14.795 17.612 -11.246 2 H2 ALA 1 2H ALA 1 -14.338 17.501 -12.814 3 H3 ALA 1 3H ALA 1 -14.560 16.142 -11.934 4 HA ALA 1 HA ALA 1 -12.241 16.446 -12.121 5 HB1 ALA 1 3HB ALA 1 -12.746 19.290 -11.146 6 HB2 ALA 1 1HB ALA 1 -11.155 18.554 -11.443 7 HB3 ALA 1 2HB ALA 1 -12.279 18.801 -12.789 8 H GLY 2 H GLY 2 -12.814 14.725 -10.587 9 HA2 GLY 2 1HA GLY 2 -11.545 14.361 -8.331 10 HA3 GLY 2 2HA GLY 2 -12.745 15.476 -7.686 11 H HIS 3 H HIS 3 -12.661 12.488 -9.681 12 HA HIS 3 HA HIS 3 -15.252 11.561 -8.633 13 HB2 HIS 3 1HB HIS 3 -14.221 11.123 -10.999 14 HB3 HIS 3 2HB HIS 3 -13.255 9.885 -10.204 15 HD1 HIS 3 HD1 HIS 3 -16.997 10.820 -10.704 16 HD2 HIS 3 HD2 HIS 3 -14.448 7.533 -9.936 17 HE1 HIS 3 HE1 HIS 3 -18.485 8.716 -10.741 18 HE2 HIS 3 HE2 HIS 3 -16.927 6.717 -10.277 19 H MET 4 H MET 4 -15.499 9.508 -7.498 20 HA MET 4 HA MET 4 -13.631 9.194 -5.265 21 HB2 MET 4 1HB MET 4 -16.299 8.040 -6.068 22 HB3 MET 4 2HB MET 4 -15.261 6.984 -5.133 23 HG2 MET 4 1HG MET 4 -14.964 9.130 -3.588 24 HG3 MET 4 2HG MET 4 -16.524 9.564 -4.296 25 HE1 MET 4 3HE MET 4 -16.212 9.570 -1.513 26 HE2 MET 4 1HE MET 4 -17.953 9.212 -1.615 27 HE3 MET 4 2HE MET 4 -16.904 8.242 -0.558 28 HA PRO 5 HA PRO 5 -11.071 5.921 -6.863 29 HB2 PRO 5 1HB PRO 5 -10.766 4.220 -4.688 30 HB3 PRO 5 2HB PRO 5 -9.972 5.811 -4.812 31 HG2 PRO 5 1HG PRO 5 -12.538 5.146 -3.361 32 HG3 PRO 5 2HG PRO 5 -11.133 6.114 -2.793 33 HD2 PRO 5 1HD PRO 5 -13.372 7.263 -3.756 34 HD3 PRO 5 2HD PRO 5 -11.760 7.956 -4.102 35 H GLU 6 H GLU 6 -11.243 3.769 -7.706 36 HA GLU 6 HA GLU 6 -13.765 2.251 -7.234 37 HB2 GLU 6 1HB GLU 6 -14.243 3.681 -9.150 38 HB3 GLU 6 2HB GLU 6 -12.816 3.081 -10.007 39 HG2 GLU 6 1HG GLU 6 -13.726 0.898 -10.248 40 HG3 GLU 6 2HG GLU 6 -14.956 1.165 -9.015 41 H GLY 7 H GLY 7 -10.761 2.123 -9.199 42 HA2 GLY 7 1HA GLY 7 -9.082 0.502 -9.187 43 HA3 GLY 7 2HA GLY 7 -10.002 -0.448 -8.019 44 H SER 8 H SER 8 -8.722 -1.685 -10.010 45 HA SER 8 HA SER 8 -10.825 -3.119 -11.404 46 HB2 SER 8 1HB SER 8 -10.055 -2.852 -13.704 47 HB3 SER 8 2HB SER 8 -10.676 -1.353 -13.017 48 HG SER 8 HG SER 8 -7.948 -2.065 -13.405 49 H ALA 9 H ALA 9 -10.218 -4.953 -10.491 50 HA ALA 9 HA ALA 9 -8.031 -6.432 -11.664 51 HB1 ALA 9 3HB ALA 9 -7.635 -6.899 -8.868 52 HB2 ALA 9 1HB ALA 9 -6.495 -6.210 -10.030 53 HB3 ALA 9 2HB ALA 9 -7.560 -5.147 -9.096 54 H SER 10 H SER 10 -8.028 -8.737 -10.705 55 HA SER 10 HA SER 10 -10.665 -9.875 -10.802 56 HB2 SER 10 1HB SER 10 -8.032 -11.133 -9.948 57 HB3 SER 10 2HB SER 10 -9.539 -12.006 -10.289 58 HG SER 10 HG SER 10 -8.107 -11.929 -12.101 59 H LEU 11 H LEU 11 -8.367 -10.277 -8.124 60 HA LEU 11 HA LEU 11 -10.582 -9.995 -6.124 61 HB2 LEU 11 1HB LEU 11 -8.333 -12.033 -5.957 62 HB3 LEU 11 2HB LEU 11 -9.633 -11.776 -4.800 63 HG LEU 11 HG LEU 11 -9.871 -12.926 -7.613 64 HD11 LEU 11 1HD1 LEU 11 -10.468 -14.973 -6.425 65 HD12 LEU 11 2HD1 LEU 11 -10.343 -14.137 -4.860 66 HD13 LEU 11 3HD1 LEU 11 -8.894 -14.391 -5.862 67 HD21 LEU 11 3HD2 LEU 11 -12.262 -13.499 -6.777 68 HD22 LEU 11 1HD2 LEU 11 -11.969 -11.869 -7.357 69 HD23 LEU 11 2HD2 LEU 11 -12.030 -12.177 -5.609 70 H GLN 12 H GLN 12 -7.097 -10.555 -5.724 71 HA GLN 12 HA GLN 12 -6.684 -8.473 -3.784 72 HB2 GLN 12 1HB GLN 12 -5.074 -10.511 -5.261 73 HB3 GLN 12 2HB GLN 12 -4.163 -9.106 -4.724 74 HG2 GLN 12 1HG GLN 12 -4.741 -9.417 -2.440 75 HG3 GLN 12 2HG GLN 12 -5.984 -10.617 -2.818 76 HE21 GLN 12 2HE2 GLN 12 -3.811 -11.032 -0.920 77 HE22 GLN 12 1HE2 GLN 12 -2.883 -12.370 -1.593 78 H LEU 13 H LEU 13 -5.027 -6.769 -3.998 79 HA LEU 13 HA LEU 13 -5.664 -4.907 -6.115 80 HB2 LEU 13 1HB LEU 13 -5.067 -4.355 -3.719 81 HB3 LEU 13 2HB LEU 13 -3.422 -4.842 -4.056 82 HG LEU 13 HG LEU 13 -4.413 -2.913 -6.032 83 HD11 LEU 13 1HD1 LEU 13 -4.173 -1.664 -3.294 84 HD12 LEU 13 2HD1 LEU 13 -5.746 -2.129 -4.010 85 HD13 LEU 13 3HD1 LEU 13 -4.708 -0.960 -4.814 86 HD21 LEU 13 3HD2 LEU 13 -2.022 -3.178 -4.266 87 HD22 LEU 13 1HD2 LEU 13 -2.353 -1.638 -5.055 88 HD23 LEU 13 2HD2 LEU 13 -2.184 -3.089 -6.038 89 H ALA 14 H ALA 14 -4.264 -4.066 -7.728 90 HA ALA 14 HA ALA 14 -1.773 -5.493 -8.426 91 HB1 ALA 14 3HB ALA 14 -3.599 -6.762 -9.535 92 HB2 ALA 14 1HB ALA 14 -4.157 -5.268 -10.323 93 HB3 ALA 14 2HB ALA 14 -2.565 -5.952 -10.721 94 H VAL 15 H VAL 15 -0.910 -4.426 -10.594 95 HA VAL 15 HA VAL 15 -0.284 -1.690 -10.037 96 HB VAL 15 HB VAL 15 0.035 -3.258 -12.613 97 HG11 VAL 15 1HG1 VAL 15 1.818 -1.571 -13.134 98 HG12 VAL 15 2HG1 VAL 15 0.204 -0.860 -13.119 99 HG13 VAL 15 3HG1 VAL 15 1.292 -0.613 -11.735 100 HG21 VAL 15 3HG2 VAL 15 2.300 -2.569 -10.726 101 HG22 VAL 15 1HG2 VAL 15 1.297 -3.980 -10.373 102 HG23 VAL 15 2HG2 VAL 15 2.159 -3.883 -11.911 103 H GLY 16 H GLY 16 -1.211 0.192 -10.589 104 HA2 GLY 16 1HA GLY 16 -2.514 1.744 -11.729 105 HA3 GLY 16 2HA GLY 16 -3.147 0.477 -12.774 106 H ASP 17 H ASP 17 -3.625 -0.701 -9.718 107 HA ASP 17 HA ASP 17 -6.449 -0.122 -9.646 108 HB2 ASP 17 1HB ASP 17 -5.128 -2.228 -8.936 109 HB3 ASP 17 2HB ASP 17 -4.745 -1.330 -7.457 110 H ARG 18 H ARG 18 -7.296 0.405 -7.206 111 HA ARG 18 HA ARG 18 -6.174 3.106 -6.483 112 HB2 ARG 18 1HB ARG 18 -9.000 2.005 -6.629 113 HB3 ARG 18 2HB ARG 18 -8.645 3.411 -5.640 114 HG2 ARG 18 1HG ARG 18 -7.769 3.362 -8.552 115 HG3 ARG 18 2HG ARG 18 -9.437 3.752 -8.107 116 HD2 ARG 18 1HD ARG 18 -8.584 5.546 -6.589 117 HD3 ARG 18 2HD ARG 18 -6.942 5.222 -7.176 118 HE ARG 18 HE ARG 18 -8.634 5.671 -9.428 119 HH11 ARG 18 1HH1 ARG 18 -7.295 7.543 -6.808 120 HH12 ARG 18 2HH1 ARG 18 -7.399 9.042 -7.694 121 HH21 ARG 18 1HH2 ARG 18 -8.747 7.599 -10.517 122 HH22 ARG 18 2HH2 ARG 18 -8.180 9.054 -9.755 123 H VAL 19 H VAL 19 -6.242 3.823 -4.400 124 HA VAL 19 HA VAL 19 -6.766 2.006 -2.137 125 HB VAL 19 HB VAL 19 -4.577 1.291 -2.644 126 HG11 VAL 19 1HG1 VAL 19 -3.900 4.175 -3.164 127 HG12 VAL 19 2HG1 VAL 19 -2.640 3.082 -2.603 128 HG13 VAL 19 3HG1 VAL 19 -3.517 2.731 -4.104 129 HG21 VAL 19 3HG2 VAL 19 -5.102 1.878 -0.241 130 HG22 VAL 19 1HG2 VAL 19 -3.384 1.741 -0.664 131 HG23 VAL 19 2HG2 VAL 19 -4.122 3.342 -0.464 132 H VAL 20 H VAL 20 -7.725 3.160 -0.601 133 HA VAL 20 HA VAL 20 -6.863 5.928 -0.008 134 HB VAL 20 HB VAL 20 -8.813 6.201 -1.306 135 HG11 VAL 20 1HG1 VAL 20 -11.059 5.406 -0.653 136 HG12 VAL 20 2HG1 VAL 20 -9.966 4.103 -1.145 137 HG13 VAL 20 3HG1 VAL 20 -10.332 4.364 0.570 138 HG21 VAL 20 3HG2 VAL 20 -8.493 7.633 0.746 139 HG22 VAL 20 1HG2 VAL 20 -10.163 7.531 0.172 140 HG23 VAL 20 2HG2 VAL 20 -9.658 6.592 1.585 141 H TYR 21 H TYR 21 -6.212 6.109 1.988 142 HA TYR 21 HA TYR 21 -6.452 4.011 3.949 143 HB2 TYR 21 1HB TYR 21 -5.440 6.812 3.838 144 HB3 TYR 21 2HB TYR 21 -6.032 6.277 5.400 145 HD1 TYR 21 HD2 TYR 21 -4.185 4.163 2.854 146 HD2 TYR 21 HD1 TYR 21 -4.200 6.042 6.751 147 HE1 TYR 21 HE2 TYR 21 -2.031 3.085 3.378 148 HE2 TYR 21 HE1 TYR 21 -2.074 4.950 7.284 149 HH TYR 21 HH TYR 21 -0.337 3.701 6.517 150 HA PRO 22 HA PRO 22 -10.424 4.513 5.642 151 HB2 PRO 22 1HB PRO 22 -10.135 3.981 8.322 152 HB3 PRO 22 2HB PRO 22 -9.946 2.750 7.038 153 HG2 PRO 22 1HG PRO 22 -7.765 4.331 8.431 154 HG3 PRO 22 2HG PRO 22 -7.835 2.564 8.136 155 HD2 PRO 22 1HD PRO 22 -6.434 4.225 6.504 156 HD3 PRO 22 2HD PRO 22 -7.355 2.841 5.835 157 H ASN 23 H ASN 23 -7.914 6.548 7.020 158 HA ASN 23 HA ASN 23 -9.707 8.840 7.027 159 HB2 ASN 23 1HB ASN 23 -9.969 7.524 9.306 160 HB3 ASN 23 2HB ASN 23 -8.416 8.216 9.716 161 HD21 ASN 23 2HD2 ASN 23 -11.793 8.893 8.882 162 HD22 ASN 23 1HD2 ASN 23 -11.801 10.525 9.545 163 H GLN 24 H GLN 24 -7.853 8.922 5.307 164 HA GLN 24 HA GLN 24 -5.865 10.870 6.272 165 HB2 GLN 24 1HB GLN 24 -5.117 8.116 5.884 166 HB3 GLN 24 2HB GLN 24 -4.279 9.071 4.681 167 HG2 GLN 24 1HG GLN 24 -4.258 9.610 7.682 168 HG3 GLN 24 2HG GLN 24 -3.072 8.625 6.836 169 HE21 GLN 24 2HE2 GLN 24 -3.358 11.641 8.127 170 HE22 GLN 24 1HE2 GLN 24 -2.265 12.471 7.021 171 H GLY 25 H GLY 25 -6.271 8.871 3.289 172 HA2 GLY 25 1HA GLY 25 -7.426 10.732 1.577 173 HA3 GLY 25 2HA GLY 25 -5.697 11.098 1.538 174 H VAL 26 H VAL 26 -6.642 10.461 -0.782 175 HA VAL 26 HA VAL 26 -6.490 7.553 -1.375 176 HB VAL 26 HB VAL 26 -7.082 9.897 -3.214 177 HG11 VAL 26 1HG1 VAL 26 -7.494 6.894 -3.562 178 HG12 VAL 26 2HG1 VAL 26 -8.193 8.128 -4.629 179 HG13 VAL 26 3HG1 VAL 26 -6.438 7.954 -4.522 180 HG21 VAL 26 3HG2 VAL 26 -8.833 9.417 -1.271 181 HG22 VAL 26 1HG2 VAL 26 -9.358 9.679 -2.933 182 HG23 VAL 26 2HG2 VAL 26 -9.273 8.042 -2.294 183 H CYS 27 H CYS 27 -4.980 6.641 -2.723 184 HA CYS 27 HA CYS 27 -2.736 8.275 -3.805 185 HB2 CYS 27 1HB CYS 27 -2.369 5.579 -2.422 186 HB3 CYS 27 2HB CYS 27 -1.110 6.627 -3.083 187 HG CYS 27 HG CYS 27 -3.127 7.001 -0.504 188 H ARG 28 H ARG 28 -1.375 6.711 -5.284 189 HA ARG 28 HA ARG 28 -3.153 5.068 -7.058 190 HB2 ARG 28 1HB ARG 28 -1.475 7.505 -7.616 191 HB3 ARG 28 2HB ARG 28 -1.360 6.222 -8.801 192 HG2 ARG 28 1HG ARG 28 -4.067 7.290 -7.888 193 HG3 ARG 28 2HG ARG 28 -3.120 8.069 -9.148 194 HD2 ARG 28 1HD ARG 28 -3.099 5.344 -9.910 195 HD3 ARG 28 2HD ARG 28 -4.712 5.586 -9.260 196 HE ARG 28 HE ARG 28 -5.242 6.782 -11.164 197 HH11 ARG 28 1HH1 ARG 28 -1.747 6.902 -10.953 198 HH12 ARG 28 2HH1 ARG 28 -1.598 7.760 -12.460 199 HH21 ARG 28 1HH2 ARG 28 -4.976 7.864 -13.081 200 HH22 ARG 28 2HH2 ARG 28 -3.377 8.273 -13.626 201 H VAL 29 H VAL 29 -2.379 3.175 -7.591 202 HA VAL 29 HA VAL 29 0.080 2.107 -6.496 203 HB VAL 29 HB VAL 29 -1.733 0.895 -8.617 204 HG11 VAL 29 1HG1 VAL 29 -0.766 -1.247 -7.692 205 HG12 VAL 29 2HG1 VAL 29 0.464 -0.243 -8.470 206 HG13 VAL 29 3HG1 VAL 29 0.344 -0.298 -6.700 207 HG21 VAL 29 3HG2 VAL 29 -2.806 -0.287 -6.798 208 HG22 VAL 29 1HG2 VAL 29 -1.725 0.491 -5.615 209 HG23 VAL 29 2HG2 VAL 29 -2.951 1.436 -6.466 210 H SER 30 H SER 30 2.068 2.164 -7.273 211 HA SER 30 HA SER 30 2.487 2.865 -10.158 212 HB2 SER 30 1HB SER 30 4.405 4.025 -9.648 213 HB3 SER 30 2HB SER 30 3.266 4.496 -8.388 214 HG SER 30 HG SER 30 4.334 2.861 -7.039 215 H ALA 31 H ALA 31 3.649 0.711 -7.561 216 HA ALA 31 HA ALA 31 4.123 -1.466 -9.413 217 HB1 ALA 31 3HB ALA 31 6.245 -0.217 -9.691 218 HB2 ALA 31 1HB ALA 31 6.467 -0.167 -7.929 219 HB3 ALA 31 2HB ALA 31 6.542 -1.715 -8.800 220 H ILE 32 H ILE 32 5.065 -3.391 -8.061 221 HA ILE 32 HA ILE 32 4.571 -3.303 -5.163 222 HB ILE 32 HB ILE 32 3.070 -5.270 -6.956 223 HG12 ILE 32 1HG1 ILE 32 1.988 -3.023 -5.192 224 HG13 ILE 32 2HG1 ILE 32 1.969 -3.067 -6.954 225 HG21 ILE 32 1HG2 ILE 32 2.107 -6.110 -4.799 226 HG22 ILE 32 2HG2 ILE 32 3.829 -6.362 -4.896 227 HG23 ILE 32 3HG2 ILE 32 3.196 -5.028 -3.911 228 HD11 ILE 32 3HD1 ILE 32 0.328 -4.803 -5.117 229 HD12 ILE 32 1HD1 ILE 32 -0.169 -3.565 -6.277 230 HD13 ILE 32 2HD1 ILE 32 0.502 -5.087 -6.874 231 H ASP 33 H ASP 33 5.892 -4.749 -4.085 232 HA ASP 33 HA ASP 33 7.161 -6.974 -5.495 233 HB2 ASP 33 1HB ASP 33 9.459 -6.321 -4.890 234 HB3 ASP 33 2HB ASP 33 8.731 -5.254 -6.069 235 H VAL 34 H VAL 34 8.691 -8.164 -3.901 236 HA VAL 34 HA VAL 34 7.442 -8.223 -1.179 237 HB VAL 34 HB VAL 34 7.793 -10.581 -1.041 238 HG11 VAL 34 1HG1 VAL 34 6.423 -10.754 -3.641 239 HG12 VAL 34 2HG1 VAL 34 5.832 -11.070 -1.999 240 HG13 VAL 34 3HG1 VAL 34 5.828 -9.430 -2.659 241 HG21 VAL 34 3HG2 VAL 34 8.418 -11.965 -3.020 242 HG22 VAL 34 1HG2 VAL 34 8.848 -10.490 -3.896 243 HG23 VAL 34 2HG2 VAL 34 9.756 -10.954 -2.445 244 H LYS 35 H LYS 35 8.774 -8.407 0.598 245 HA LYS 35 HA LYS 35 11.613 -8.955 0.327 246 HB2 LYS 35 1HB LYS 35 12.459 -6.839 1.112 247 HB3 LYS 35 2HB LYS 35 11.638 -6.602 -0.413 248 HG2 LYS 35 1HG LYS 35 9.738 -5.566 0.621 249 HG3 LYS 35 2HG LYS 35 10.265 -6.023 2.246 250 HD2 LYS 35 1HD LYS 35 11.663 -4.014 0.419 251 HD3 LYS 35 2HD LYS 35 10.641 -3.650 1.813 252 HE2 LYS 35 1HE LYS 35 12.437 -3.733 3.137 253 HE3 LYS 35 2HE LYS 35 12.434 -5.472 2.876 254 HZ1 LYS 35 3HZ LYS 35 14.190 -3.436 1.710 255 HZ2 LYS 35 1HZ LYS 35 13.807 -4.674 0.719 256 HZ3 LYS 35 2HZ LYS 35 14.549 -4.963 2.147 257 H GLU 36 H GLU 36 12.747 -8.596 2.458 258 HA GLU 36 HA GLU 36 11.027 -9.448 4.748 259 HB2 GLU 36 1HB GLU 36 13.581 -10.390 3.746 260 HB3 GLU 36 2HB GLU 36 13.839 -9.658 5.319 261 HG2 GLU 36 1HG GLU 36 11.620 -11.161 5.865 262 HG3 GLU 36 2HG GLU 36 12.366 -12.121 4.584 263 H VAL 37 H VAL 37 10.438 -7.853 6.040 264 HA VAL 37 HA VAL 37 12.470 -5.791 6.851 265 HB VAL 37 HB VAL 37 10.837 -4.145 7.180 266 HG11 VAL 37 1HG1 VAL 37 9.713 -4.944 4.562 267 HG12 VAL 37 2HG1 VAL 37 10.634 -3.504 5.042 268 HG13 VAL 37 3HG1 VAL 37 11.477 -5.014 4.674 269 HG21 VAL 37 3HG2 VAL 37 8.920 -5.265 8.043 270 HG22 VAL 37 1HG2 VAL 37 8.403 -4.480 6.550 271 HG23 VAL 37 2HG2 VAL 37 8.745 -6.234 6.570 272 H ALA 38 H ALA 38 12.742 -5.483 9.038 273 HA ALA 38 HA ALA 38 12.891 -6.187 11.211 274 HB1 ALA 38 3HB ALA 38 9.866 -5.961 10.987 275 HB2 ALA 38 1HB ALA 38 10.851 -5.729 12.448 276 HB3 ALA 38 2HB ALA 38 10.987 -4.587 11.099 277 H GLY 39 H GLY 39 12.844 -8.514 9.414 278 HA2 GLY 39 1HA GLY 39 13.042 -10.818 9.772 279 HA3 GLY 39 2HA GLY 39 12.289 -10.657 11.347 280 H GLN 40 H GLN 40 10.608 -9.398 8.485 281 HA GLN 40 HA GLN 40 8.688 -11.685 8.457 282 HB2 GLN 40 1HB GLN 40 7.924 -9.783 9.935 283 HB3 GLN 40 2HB GLN 40 8.061 -8.710 8.558 284 HG2 GLN 40 1HG GLN 40 5.859 -9.114 8.407 285 HG3 GLN 40 2HG GLN 40 6.397 -10.448 7.393 286 HE21 GLN 40 2HE2 GLN 40 3.893 -10.700 8.323 287 HE22 GLN 40 1HE2 GLN 40 3.852 -11.826 9.673 288 H LYS 41 H LYS 41 8.739 -12.481 6.434 289 HA LYS 41 HA LYS 41 9.329 -10.747 4.102 290 HB2 LYS 41 1HB LYS 41 10.378 -13.130 4.707 291 HB3 LYS 41 2HB LYS 41 8.989 -13.731 3.842 292 HG2 LYS 41 1HG LYS 41 10.945 -11.665 2.706 293 HG3 LYS 41 2HG LYS 41 11.112 -13.409 2.518 294 HD2 LYS 41 1HD LYS 41 8.819 -13.424 1.419 295 HD3 LYS 41 2HD LYS 41 8.909 -11.650 1.365 296 HE2 LYS 41 1HE LYS 41 10.514 -11.627 -0.268 297 HE3 LYS 41 2HE LYS 41 11.367 -13.014 0.405 298 HZ1 LYS 41 3HZ LYS 41 8.853 -13.259 -1.155 299 HZ2 LYS 41 1HZ LYS 41 9.753 -14.492 -0.578 300 HZ3 LYS 41 2HZ LYS 41 10.355 -13.537 -1.749 301 H LEU 42 H LEU 42 7.681 -9.836 3.031 302 HA LEU 42 HA LEU 42 5.376 -11.421 2.217 303 HB2 LEU 42 1HB LEU 42 3.671 -10.476 3.469 304 HB3 LEU 42 2HB LEU 42 4.926 -10.704 4.645 305 HG LEU 42 HG LEU 42 5.432 -8.120 3.713 306 HD11 LEU 42 1HD1 LEU 42 3.517 -6.980 3.408 307 HD12 LEU 42 2HD1 LEU 42 2.486 -8.160 4.296 308 HD13 LEU 42 3HD1 LEU 42 3.031 -8.487 2.651 309 HD21 LEU 42 3HD2 LEU 42 3.826 -9.023 6.134 310 HD22 LEU 42 1HD2 LEU 42 4.481 -7.388 5.895 311 HD23 LEU 42 2HD2 LEU 42 5.589 -8.753 6.027 312 H THR 43 H THR 43 3.748 -9.987 0.975 313 HA THR 43 HA THR 43 5.182 -8.364 -0.965 314 HB THR 43 HB THR 43 2.173 -8.700 -0.712 315 HG1 THR 43 HG1 THR 43 2.458 -10.454 -2.124 316 HG21 THR 43 3HG2 THR 43 2.878 -7.019 -2.347 317 HG22 THR 43 1HG2 THR 43 2.299 -8.460 -3.198 318 HG23 THR 43 2HG2 THR 43 4.036 -8.153 -3.072 319 H PHE 44 H PHE 44 5.654 -6.286 -0.759 320 HA PHE 44 HA PHE 44 3.924 -4.497 0.903 321 HB2 PHE 44 1HB PHE 44 6.877 -4.263 0.239 322 HB3 PHE 44 2HB PHE 44 5.897 -3.027 1.026 323 HD1 PHE 44 HD2 PHE 44 4.927 -3.382 3.292 324 HD2 PHE 44 HD1 PHE 44 7.756 -6.140 1.551 325 HE1 PHE 44 HE2 PHE 44 5.287 -4.457 5.534 326 HE2 PHE 44 HE1 PHE 44 8.042 -7.227 3.760 327 HZ PHE 44 HZ PHE 44 6.751 -6.431 5.710 328 H VAL 45 H VAL 45 2.634 -3.285 -0.280 329 HA VAL 45 HA VAL 45 2.906 -2.952 -3.167 330 HB VAL 45 HB VAL 45 1.092 -1.253 -2.879 331 HG11 VAL 45 1HG1 VAL 45 -0.344 -3.321 -1.621 332 HG12 VAL 45 2HG1 VAL 45 -0.033 -3.120 -3.367 333 HG13 VAL 45 3HG1 VAL 45 1.007 -4.141 -2.378 334 HG21 VAL 45 3HG2 VAL 45 -0.006 -0.856 -0.829 335 HG22 VAL 45 1HG2 VAL 45 0.793 -2.194 -0.024 336 HG23 VAL 45 2HG2 VAL 45 1.702 -0.714 -0.413 337 H THR 46 H THR 46 3.385 -1.008 -4.378 338 HA THR 46 HA THR 46 4.766 1.112 -2.795 339 HB THR 46 HB THR 46 5.657 0.203 -5.541 340 HG1 THR 46 HG1 THR 46 7.060 -1.094 -4.576 341 HG21 THR 46 3HG2 THR 46 6.975 1.877 -3.351 342 HG22 THR 46 1HG2 THR 46 6.334 2.501 -4.890 343 HG23 THR 46 2HG2 THR 46 7.727 1.404 -4.886 344 H MET 47 H MET 47 3.489 2.812 -2.777 345 HA MET 47 HA MET 47 2.260 3.765 -5.337 346 HB2 MET 47 1HB MET 47 1.142 3.864 -2.518 347 HB3 MET 47 2HB MET 47 0.380 4.574 -3.929 348 HG2 MET 47 1HG MET 47 -0.655 2.662 -4.406 349 HG3 MET 47 2HG MET 47 0.850 1.741 -4.401 350 HE1 MET 47 3HE MET 47 -1.835 -0.205 -2.135 351 HE2 MET 47 1HE MET 47 -2.198 0.834 -3.510 352 HE3 MET 47 2HE MET 47 -0.849 -0.321 -3.608 353 H ARG 48 H ARG 48 2.005 6.022 -5.470 354 HA ARG 48 HA ARG 48 3.553 7.728 -3.557 355 HB2 ARG 48 1HB ARG 48 3.816 7.766 -6.593 356 HB3 ARG 48 2HB ARG 48 4.364 9.057 -5.525 357 HG2 ARG 48 1HG ARG 48 6.323 8.006 -5.293 358 HG3 ARG 48 2HG ARG 48 5.501 6.762 -4.369 359 HD2 ARG 48 1HD ARG 48 6.652 5.568 -5.990 360 HD3 ARG 48 2HD ARG 48 5.001 5.622 -6.635 361 HE ARG 48 HE ARG 48 6.363 7.874 -7.668 362 HH11 ARG 48 1HH1 ARG 48 6.581 4.416 -8.098 363 HH12 ARG 48 2HH1 ARG 48 7.691 4.562 -9.441 364 HH21 ARG 48 1HH2 ARG 48 7.620 8.012 -9.468 365 HH22 ARG 48 2HH2 ARG 48 8.174 6.567 -10.257 366 H ARG 49 H ARG 49 2.496 9.382 -2.864 367 HA ARG 49 HA ARG 49 -0.192 10.059 -3.968 368 HB2 ARG 49 1HB ARG 49 0.273 9.717 -1.458 369 HB3 ARG 49 2HB ARG 49 1.207 11.210 -1.513 370 HG2 ARG 49 1HG ARG 49 -0.955 12.233 -2.603 371 HG3 ARG 49 2HG ARG 49 -1.765 10.793 -2.006 372 HD2 ARG 49 1HD ARG 49 -0.230 12.860 -0.372 373 HD3 ARG 49 2HD ARG 49 -1.985 12.746 -0.473 374 HE ARG 49 HE ARG 49 -0.259 11.306 1.285 375 HH11 ARG 49 1HH1 ARG 49 -3.196 10.689 -0.528 376 HH12 ARG 49 2HH1 ARG 49 -3.729 9.510 0.629 377 HH21 ARG 49 1HH2 ARG 49 -1.124 9.927 2.785 378 HH22 ARG 49 2HH2 ARG 49 -2.655 9.173 2.491 379 H GLU 50 H GLU 50 -0.029 11.366 -5.721 380 HA GLU 50 HA GLU 50 2.062 13.320 -6.114 381 HB2 GLU 50 1HB GLU 50 0.805 14.019 -8.047 382 HB3 GLU 50 2HB GLU 50 0.847 12.266 -7.949 383 HG2 GLU 50 1HG GLU 50 -1.546 13.166 -6.576 384 HG3 GLU 50 2HG GLU 50 -1.436 14.045 -8.091 385 H GLU 51 H GLU 51 -0.765 13.486 -4.223 386 HA GLU 51 HA GLU 51 -1.519 16.192 -4.350 387 HB2 GLU 51 1HB GLU 51 -2.569 14.053 -3.240 388 HB3 GLU 51 2HB GLU 51 -1.687 14.565 -1.802 389 HG2 GLU 51 1HG GLU 51 -2.927 16.622 -1.680 390 HG3 GLU 51 2HG GLU 51 -3.580 16.405 -3.309 391 H ASP 52 H ASP 52 1.002 14.682 -2.407 392 HA ASP 52 HA ASP 52 2.127 17.352 -1.705 393 HB2 ASP 52 1HB ASP 52 2.863 16.462 0.469 394 HB3 ASP 52 2HB ASP 52 1.117 16.603 0.303 395 H GLY 53 H GLY 53 2.740 14.187 -2.979 396 HA2 GLY 53 1HA GLY 53 4.584 13.683 -4.355 397 HA3 GLY 53 2HA GLY 53 5.578 14.870 -3.518 398 H ALA 54 H ALA 54 3.843 12.971 -1.225 399 HA ALA 54 HA ALA 54 6.295 11.592 -0.406 400 HB1 ALA 54 3HB ALA 54 4.914 10.898 1.517 401 HB2 ALA 54 1HB ALA 54 4.767 12.638 1.225 402 HB3 ALA 54 2HB ALA 54 3.462 11.539 0.721 403 H VAL 55 H VAL 55 6.122 9.282 0.305 404 HA VAL 55 HA VAL 55 4.782 7.558 -1.746 405 HB VAL 55 HB VAL 55 6.516 5.972 -1.601 406 HG11 VAL 55 1HG1 VAL 55 6.880 8.081 -3.006 407 HG12 VAL 55 2HG1 VAL 55 7.986 8.628 -1.743 408 HG13 VAL 55 3HG1 VAL 55 8.323 7.123 -2.623 409 HG21 VAL 55 3HG2 VAL 55 7.792 7.677 0.582 410 HG22 VAL 55 1HG2 VAL 55 7.163 6.022 0.741 411 HG23 VAL 55 2HG2 VAL 55 8.590 6.327 -0.252 412 H VAL 56 H VAL 56 4.047 5.473 -1.067 413 HA VAL 56 HA VAL 56 3.685 5.009 1.823 414 HB VAL 56 HB VAL 56 1.828 6.391 1.422 415 HG11 VAL 56 1HG1 VAL 56 1.701 5.698 -1.194 416 HG12 VAL 56 2HG1 VAL 56 0.380 4.704 -0.546 417 HG13 VAL 56 3HG1 VAL 56 0.408 6.457 -0.283 418 HG21 VAL 56 3HG2 VAL 56 1.486 4.397 2.863 419 HG22 VAL 56 1HG2 VAL 56 -0.004 4.983 2.108 420 HG23 VAL 56 2HG2 VAL 56 0.792 3.532 1.474 421 H MET 57 H MET 57 4.197 3.058 2.205 422 HA MET 57 HA MET 57 3.585 0.882 0.277 423 HB2 MET 57 1HB MET 57 6.248 1.343 1.693 424 HB3 MET 57 2HB MET 57 5.823 -0.103 0.782 425 HG2 MET 57 1HG MET 57 6.539 0.841 -1.101 426 HG3 MET 57 2HG MET 57 5.322 2.092 -0.959 427 HE1 MET 57 3HE MET 57 9.054 1.169 -0.799 428 HE2 MET 57 1HE MET 57 9.749 2.385 0.297 429 HE3 MET 57 2HE MET 57 8.649 1.140 0.933 430 H VAL 58 H VAL 58 1.948 -0.001 1.407 431 HA VAL 58 HA VAL 58 2.458 -0.789 4.232 432 HB VAL 58 HB VAL 58 0.067 -1.244 4.447 433 HG11 VAL 58 1HG1 VAL 58 0.794 1.548 3.512 434 HG12 VAL 58 2HG1 VAL 58 -0.720 1.110 4.324 435 HG13 VAL 58 3HG1 VAL 58 0.823 0.895 5.164 436 HG21 VAL 58 3HG2 VAL 58 -0.436 0.045 1.764 437 HG22 VAL 58 1HG2 VAL 58 -0.407 -1.727 2.017 438 HG23 VAL 58 2HG2 VAL 58 -1.577 -0.731 2.883 439 HA PRO 59 HA PRO 59 2.778 -5.042 3.098 440 HB2 PRO 59 1HB PRO 59 1.847 -6.266 5.374 441 HB3 PRO 59 2HB PRO 59 3.424 -5.472 5.281 442 HG2 PRO 59 1HG PRO 59 0.834 -4.335 6.348 443 HG3 PRO 59 2HG PRO 59 2.459 -4.281 7.115 444 HD2 PRO 59 1HD PRO 59 1.525 -2.189 5.742 445 HD3 PRO 59 2HD PRO 59 3.228 -2.688 5.549 446 H GLU 60 H GLU 60 1.447 -6.103 1.636 447 HA GLU 60 HA GLU 60 -1.402 -5.851 1.645 448 HB2 GLU 60 1HB GLU 60 0.294 -7.976 0.274 449 HB3 GLU 60 2HB GLU 60 -1.426 -7.694 0.011 450 HG2 GLU 60 1HG GLU 60 -0.664 -5.217 -0.469 451 HG3 GLU 60 2HG GLU 60 0.903 -5.957 -0.789 452 H GLY 61 H GLY 61 0.628 -8.477 2.934 453 HA2 GLY 61 1HA GLY 61 -1.738 -10.043 3.850 454 HA3 GLY 61 2HA GLY 61 -0.044 -10.544 3.928 455 H LYS 62 H LYS 62 -0.344 -7.440 5.116 456 HA LYS 62 HA LYS 62 -0.885 -8.256 7.952 457 HB2 LYS 62 1HB LYS 62 1.656 -7.959 6.999 458 HB3 LYS 62 2HB LYS 62 1.273 -6.305 7.478 459 HG2 LYS 62 1HG LYS 62 0.918 -6.952 9.763 460 HG3 LYS 62 2HG LYS 62 1.228 -8.658 9.349 461 HD2 LYS 62 1HD LYS 62 3.506 -8.246 8.799 462 HD3 LYS 62 2HD LYS 62 3.268 -6.527 8.557 463 HE2 LYS 62 1HE LYS 62 4.550 -6.896 10.561 464 HE3 LYS 62 2HE LYS 62 3.005 -6.148 10.963 465 HZ1 LYS 62 3HZ LYS 62 3.765 -8.078 12.407 466 HZ2 LYS 62 1HZ LYS 62 3.398 -9.083 11.176 467 HZ3 LYS 62 2HZ LYS 62 2.230 -8.172 11.875 468 H VAL 63 H VAL 63 -1.861 -6.219 5.490 469 HA VAL 63 HA VAL 63 -2.345 -3.731 6.542 470 HB VAL 63 HB VAL 63 -4.571 -3.805 5.435 471 HG11 VAL 63 1HG1 VAL 63 -3.819 -3.408 3.322 472 HG12 VAL 63 2HG1 VAL 63 -2.431 -3.027 4.352 473 HG13 VAL 63 3HG1 VAL 63 -2.480 -4.556 3.439 474 HG21 VAL 63 3HG2 VAL 63 -5.511 -5.536 4.379 475 HG22 VAL 63 1HG2 VAL 63 -3.974 -6.231 3.862 476 HG23 VAL 63 2HG2 VAL 63 -4.559 -6.518 5.501 477 H LEU 64 H LEU 64 -3.888 -6.663 7.593 478 HA LEU 64 HA LEU 64 -6.102 -5.729 9.036 479 HB2 LEU 64 1HB LEU 64 -4.285 -7.989 9.941 480 HB3 LEU 64 2HB LEU 64 -6.014 -7.807 10.210 481 HG LEU 64 HG LEU 64 -4.610 -8.537 7.589 482 HD11 LEU 64 1HD1 LEU 64 -5.613 -10.093 9.791 483 HD12 LEU 64 2HD1 LEU 64 -4.949 -10.641 8.247 484 HD13 LEU 64 3HD1 LEU 64 -6.689 -10.364 8.418 485 HD21 LEU 64 3HD2 LEU 64 -6.898 -8.801 6.641 486 HD22 LEU 64 1HD2 LEU 64 -6.512 -7.116 6.998 487 HD23 LEU 64 2HD2 LEU 64 -7.577 -8.024 8.093 488 H ALA 65 H ALA 65 -2.689 -5.588 9.907 489 HA ALA 65 HA ALA 65 -3.053 -4.854 12.694 490 HB1 ALA 65 3HB ALA 65 -0.649 -4.591 12.665 491 HB2 ALA 65 1HB ALA 65 -1.049 -6.041 11.721 492 HB3 ALA 65 2HB ALA 65 -0.610 -4.534 10.891 493 H ILE 66 H ILE 66 -2.182 -3.026 9.729 494 HA ILE 66 HA ILE 66 -2.119 -0.420 10.998 495 HB ILE 66 HB ILE 66 -2.530 -1.041 8.041 496 HG12 ILE 66 1HG1 ILE 66 0.114 -0.271 8.274 497 HG13 ILE 66 2HG1 ILE 66 -0.083 -1.145 9.785 498 HG21 ILE 66 1HG2 ILE 66 -3.002 1.330 8.657 499 HG22 ILE 66 2HG2 ILE 66 -1.401 1.446 9.403 500 HG23 ILE 66 3HG2 ILE 66 -1.564 1.178 7.653 501 HD11 ILE 66 3HD1 ILE 66 -0.564 -2.171 6.954 502 HD12 ILE 66 1HD1 ILE 66 0.743 -2.625 8.074 503 HD13 ILE 66 2HD1 ILE 66 -0.923 -3.119 8.416 504 H GLY 67 H GLY 67 -4.673 -2.334 9.516 505 HA2 GLY 67 1HA GLY 67 -6.991 -2.157 9.889 506 HA3 GLY 67 2HA GLY 67 -6.791 -0.536 10.554 507 H VAL 68 H VAL 68 -5.078 -0.813 7.649 508 HA VAL 68 HA VAL 68 -7.051 0.801 6.132 509 HB VAL 68 HB VAL 68 -4.208 -0.103 5.481 510 HG11 VAL 68 1HG1 VAL 68 -5.309 0.195 3.351 511 HG12 VAL 68 2HG1 VAL 68 -6.026 1.734 3.884 512 HG13 VAL 68 3HG1 VAL 68 -4.272 1.577 3.652 513 HG21 VAL 68 3HG2 VAL 68 -4.960 2.762 5.851 514 HG22 VAL 68 1HG2 VAL 68 -4.731 1.781 7.298 515 HG23 VAL 68 2HG2 VAL 68 -3.427 1.934 6.112 516 H ARG 69 H ARG 69 -7.924 0.150 4.194 517 HA ARG 69 HA ARG 69 -7.736 -2.737 3.423 518 HB2 ARG 69 1HB ARG 69 -10.145 -0.927 3.733 519 HB3 ARG 69 2HB ARG 69 -10.137 -2.039 2.371 520 HG2 ARG 69 1HG ARG 69 -9.719 -2.905 5.259 521 HG3 ARG 69 2HG ARG 69 -11.257 -2.959 4.394 522 HD2 ARG 69 1HD ARG 69 -9.290 -4.255 2.730 523 HD3 ARG 69 2HD ARG 69 -9.084 -4.875 4.374 524 HE ARG 69 HE ARG 69 -11.848 -4.952 3.828 525 HH11 ARG 69 1HH1 ARG 69 -8.999 -6.531 2.553 526 HH12 ARG 69 2HH1 ARG 69 -9.901 -7.910 1.992 527 HH21 ARG 69 1HH2 ARG 69 -12.942 -6.735 3.093 528 HH22 ARG 69 2HH2 ARG 69 -12.076 -8.014 2.298 529 H LYS 70 H LYS 70 -6.832 -2.959 1.509 530 HA LYS 70 HA LYS 70 -7.116 -0.865 -0.586 531 HB2 LYS 70 1HB LYS 70 -4.683 -0.899 -1.023 532 HB3 LYS 70 2HB LYS 70 -5.092 -0.237 0.545 533 HG2 LYS 70 1HG LYS 70 -3.754 -1.581 1.617 534 HG3 LYS 70 2HG LYS 70 -4.538 -3.019 0.994 535 HD2 LYS 70 1HD LYS 70 -2.367 -1.455 -0.454 536 HD3 LYS 70 2HD LYS 70 -2.056 -2.869 0.540 537 HE2 LYS 70 1HE LYS 70 -3.909 -2.906 -1.878 538 HE3 LYS 70 2HE LYS 70 -2.203 -3.301 -1.977 539 HZ1 LYS 70 3HZ LYS 70 -3.064 -5.366 -1.614 540 HZ2 LYS 70 1HZ LYS 70 -4.391 -4.803 -0.796 541 HZ3 LYS 70 2HZ LYS 70 -2.942 -4.948 -0.037 542 H VAL 71 H VAL 71 -8.233 -2.037 -2.011 543 HA VAL 71 HA VAL 71 -7.122 -4.476 -3.205 544 HB VAL 71 HB VAL 71 -9.944 -4.801 -2.278 545 HG11 VAL 71 1HG1 VAL 71 -8.011 -7.063 -2.067 546 HG12 VAL 71 2HG1 VAL 71 -9.614 -6.977 -2.812 547 HG13 VAL 71 3HG1 VAL 71 -8.176 -6.408 -3.680 548 HG21 VAL 71 3HG2 VAL 71 -9.414 -5.992 -0.237 549 HG22 VAL 71 1HG2 VAL 71 -7.704 -5.566 -0.365 550 HG23 VAL 71 2HG2 VAL 71 -8.924 -4.306 -0.075 551 H ALA 72 H ALA 72 -8.742 -5.314 -4.951 552 HA ALA 72 HA ALA 72 -9.241 -3.368 -6.879 553 HB1 ALA 72 3HB ALA 72 -10.191 -5.197 -8.120 554 HB2 ALA 72 1HB ALA 72 -8.870 -5.860 -7.133 555 HB3 ALA 72 2HB ALA 72 -10.559 -6.102 -6.639 556 H SER 73 H SER 73 -11.244 -4.090 -4.249 557 HA SER 73 HA SER 73 -13.411 -2.327 -5.264 558 HB2 SER 73 1HB SER 73 -13.902 -4.951 -5.380 559 HB3 SER 73 2HB SER 73 -14.230 -4.739 -3.655 560 HG SER 73 HG SER 73 -15.508 -3.581 -5.906 561 H ALA 74 H ALA 74 -12.148 -4.093 -2.395 562 HA ALA 74 HA ALA 74 -13.067 -2.084 -0.472 563 HB1 ALA 74 3HB ALA 74 -13.038 -4.362 0.242 564 HB2 ALA 74 1HB ALA 74 -11.363 -4.593 -0.286 565 HB3 ALA 74 2HB ALA 74 -11.721 -3.541 1.098 566 H GLU 75 H GLU 75 -12.002 -0.481 -2.011 567 HA GLU 75 HA GLU 75 -9.153 0.021 -1.862 568 HB2 GLU 75 1HB GLU 75 -9.639 2.170 -2.824 569 HB3 GLU 75 2HB GLU 75 -10.475 0.896 -3.681 570 HG2 GLU 75 1HG GLU 75 -12.174 2.037 -1.536 571 HG3 GLU 75 2HG GLU 75 -11.524 3.299 -2.548 Start of MODEL 12 1 H1 ALA 1 1H ALA 1 -9.825 20.492 -9.174 2 H2 ALA 1 2H ALA 1 -9.560 20.152 -7.593 3 H3 ALA 1 3H ALA 1 -8.647 19.434 -8.744 4 HA ALA 1 HA ALA 1 -11.514 19.010 -8.265 5 HB1 ALA 1 3HB ALA 1 -11.007 18.975 -10.698 6 HB2 ALA 1 1HB ALA 1 -9.764 17.734 -10.419 7 HB3 ALA 1 2HB ALA 1 -11.474 17.376 -10.099 8 H GLY 2 H GLY 2 -12.039 16.812 -7.579 9 HA2 GLY 2 1HA GLY 2 -10.060 14.852 -6.830 10 HA3 GLY 2 2HA GLY 2 -10.498 15.830 -5.430 11 H HIS 3 H HIS 3 -11.610 13.465 -7.751 12 HA HIS 3 HA HIS 3 -14.287 13.137 -6.479 13 HB2 HIS 3 1HB HIS 3 -12.944 11.828 -8.882 14 HB3 HIS 3 2HB HIS 3 -14.460 11.251 -8.212 15 HD1 HIS 3 HD1 HIS 3 -13.190 14.741 -9.432 16 HD2 HIS 3 HD2 HIS 3 -16.573 12.213 -9.313 17 HE1 HIS 3 HE1 HIS 3 -15.093 16.014 -10.620 18 HE2 HIS 3 HE2 HIS 3 -17.142 14.457 -10.566 19 H MET 4 H MET 4 -14.972 11.034 -5.755 20 HA MET 4 HA MET 4 -13.299 9.843 -3.779 21 HB2 MET 4 1HB MET 4 -15.123 8.113 -3.650 22 HB3 MET 4 2HB MET 4 -15.664 9.774 -3.486 23 HG2 MET 4 1HG MET 4 -16.631 9.801 -5.647 24 HG3 MET 4 2HG MET 4 -15.775 8.346 -6.164 25 HE1 MET 4 3HE MET 4 -15.872 6.232 -5.053 26 HE2 MET 4 1HE MET 4 -17.083 5.691 -3.873 27 HE3 MET 4 2HE MET 4 -17.413 5.556 -5.613 28 HA PRO 5 HA PRO 5 -11.002 6.750 -5.965 29 HB2 PRO 5 1HB PRO 5 -10.606 4.786 -4.108 30 HB3 PRO 5 2HB PRO 5 -9.890 6.418 -3.980 31 HG2 PRO 5 1HG PRO 5 -12.438 5.409 -2.666 32 HG3 PRO 5 2HG PRO 5 -11.078 6.297 -1.912 33 HD2 PRO 5 1HD PRO 5 -13.300 7.574 -2.685 34 HD3 PRO 5 2HD PRO 5 -11.694 8.324 -2.871 35 H GLU 6 H GLU 6 -12.598 6.348 -7.531 36 HA GLU 6 HA GLU 6 -14.013 3.711 -7.344 37 HB2 GLU 6 1HB GLU 6 -15.479 5.704 -7.399 38 HB3 GLU 6 2HB GLU 6 -14.761 6.199 -8.939 39 HG2 GLU 6 1HG GLU 6 -15.593 4.150 -10.012 40 HG3 GLU 6 2HG GLU 6 -16.224 3.565 -8.468 41 H GLY 7 H GLY 7 -13.886 2.307 -9.110 42 HA2 GLY 7 1HA GLY 7 -12.682 2.840 -11.647 43 HA3 GLY 7 2HA GLY 7 -11.442 2.221 -10.557 44 H SER 8 H SER 8 -14.455 1.457 -12.235 45 HA SER 8 HA SER 8 -14.489 -1.362 -11.413 46 HB2 SER 8 1HB SER 8 -16.448 -1.496 -12.924 47 HB3 SER 8 2HB SER 8 -16.591 -0.318 -11.615 48 HG SER 8 HG SER 8 -15.948 0.244 -14.334 49 H ALA 9 H ALA 9 -12.467 -2.004 -12.128 50 HA ALA 9 HA ALA 9 -12.376 -2.871 -14.989 51 HB1 ALA 9 3HB ALA 9 -9.983 -2.217 -15.130 52 HB2 ALA 9 1HB ALA 9 -11.055 -0.822 -14.909 53 HB3 ALA 9 2HB ALA 9 -10.107 -1.439 -13.536 54 H SER 10 H SER 10 -10.723 -3.220 -11.811 55 HA SER 10 HA SER 10 -10.872 -6.164 -12.001 56 HB2 SER 10 1HB SER 10 -8.290 -4.571 -11.957 57 HB3 SER 10 2HB SER 10 -8.369 -6.153 -11.171 58 HG SER 10 HG SER 10 -9.245 -5.760 -13.845 59 H LEU 11 H LEU 11 -10.585 -7.215 -10.023 60 HA LEU 11 HA LEU 11 -11.107 -5.580 -7.585 61 HB2 LEU 11 1HB LEU 11 -11.433 -8.511 -8.319 62 HB3 LEU 11 2HB LEU 11 -11.412 -8.003 -6.647 63 HG LEU 11 HG LEU 11 -13.657 -8.296 -7.389 64 HD11 LEU 11 1HD1 LEU 11 -13.427 -5.296 -7.125 65 HD12 LEU 11 2HD1 LEU 11 -12.964 -6.367 -5.786 66 HD13 LEU 11 3HD1 LEU 11 -14.613 -6.417 -6.427 67 HD21 LEU 11 3HD2 LEU 11 -14.779 -6.941 -9.041 68 HD22 LEU 11 1HD2 LEU 11 -13.405 -7.764 -9.799 69 HD23 LEU 11 2HD2 LEU 11 -13.297 -6.035 -9.390 70 H GLN 12 H GLN 12 -8.642 -7.749 -8.913 71 HA GLN 12 HA GLN 12 -7.035 -7.983 -6.517 72 HB2 GLN 12 1HB GLN 12 -6.584 -8.457 -9.482 73 HB3 GLN 12 2HB GLN 12 -5.215 -8.445 -8.391 74 HG2 GLN 12 1HG GLN 12 -7.252 -10.140 -7.210 75 HG3 GLN 12 2HG GLN 12 -7.038 -10.592 -8.897 76 HE21 GLN 12 2HE2 GLN 12 -5.446 -10.495 -5.705 77 HE22 GLN 12 1HE2 GLN 12 -4.022 -11.369 -6.254 78 H LEU 13 H LEU 13 -4.976 -7.104 -6.137 79 HA LEU 13 HA LEU 13 -4.766 -4.215 -6.761 80 HB2 LEU 13 1HB LEU 13 -3.747 -6.033 -4.568 81 HB3 LEU 13 2HB LEU 13 -2.921 -4.521 -4.888 82 HG LEU 13 HG LEU 13 -4.590 -4.397 -3.069 83 HD11 LEU 13 1HD1 LEU 13 -5.312 -2.584 -5.409 84 HD12 LEU 13 2HD1 LEU 13 -3.889 -2.376 -4.392 85 HD13 LEU 13 3HD1 LEU 13 -5.521 -2.269 -3.687 86 HD21 LEU 13 3HD2 LEU 13 -6.360 -5.853 -4.192 87 HD22 LEU 13 1HD2 LEU 13 -6.767 -4.418 -5.174 88 HD23 LEU 13 2HD2 LEU 13 -6.903 -4.375 -3.407 89 H ALA 14 H ALA 14 -3.600 -3.632 -8.354 90 HA ALA 14 HA ALA 14 -0.904 -4.745 -8.856 91 HB1 ALA 14 3HB ALA 14 -2.467 -6.013 -10.312 92 HB2 ALA 14 1HB ALA 14 -3.074 -4.486 -10.990 93 HB3 ALA 14 2HB ALA 14 -1.389 -4.983 -11.268 94 H VAL 15 H VAL 15 0.128 -3.350 -10.699 95 HA VAL 15 HA VAL 15 0.339 -0.646 -9.808 96 HB VAL 15 HB VAL 15 1.184 -1.830 -12.483 97 HG11 VAL 15 1HG1 VAL 15 2.834 0.069 -12.453 98 HG12 VAL 15 2HG1 VAL 15 1.166 0.609 -12.632 99 HG13 VAL 15 3HG1 VAL 15 1.975 0.750 -11.057 100 HG21 VAL 15 3HG2 VAL 15 2.264 -3.030 -10.657 101 HG22 VAL 15 1HG2 VAL 15 3.440 -1.907 -11.340 102 HG23 VAL 15 2HG2 VAL 15 2.625 -1.509 -9.811 103 H GLY 16 H GLY 16 -0.697 1.174 -10.287 104 HA2 GLY 16 1HA GLY 16 -2.087 2.676 -11.373 105 HA3 GLY 16 2HA GLY 16 -2.506 1.469 -12.579 106 H ASP 17 H ASP 17 -3.100 -0.151 -9.709 107 HA ASP 17 HA ASP 17 -5.956 0.295 -9.902 108 HB2 ASP 17 1HB ASP 17 -4.671 -1.855 -9.176 109 HB3 ASP 17 2HB ASP 17 -4.629 -1.109 -7.575 110 H ARG 18 H ARG 18 -7.296 0.795 -7.908 111 HA ARG 18 HA ARG 18 -6.331 3.394 -6.805 112 HB2 ARG 18 1HB ARG 18 -8.633 2.868 -8.246 113 HB3 ARG 18 2HB ARG 18 -9.232 2.581 -6.623 114 HG2 ARG 18 1HG ARG 18 -9.650 4.859 -7.092 115 HG3 ARG 18 2HG ARG 18 -8.270 4.873 -5.971 116 HD2 ARG 18 1HD ARG 18 -6.818 5.683 -7.541 117 HD3 ARG 18 2HD ARG 18 -7.526 4.716 -8.844 118 HE ARG 18 HE ARG 18 -9.309 6.849 -8.042 119 HH11 ARG 18 1HH1 ARG 18 -6.525 6.217 -10.037 120 HH12 ARG 18 2HH1 ARG 18 -6.906 7.506 -11.152 121 HH21 ARG 18 1HH2 ARG 18 -9.777 8.447 -9.502 122 HH22 ARG 18 2HH2 ARG 18 -8.702 8.740 -10.835 123 H VAL 19 H VAL 19 -6.080 3.699 -4.682 124 HA VAL 19 HA VAL 19 -7.319 1.825 -2.728 125 HB VAL 19 HB VAL 19 -5.292 1.314 -1.627 126 HG11 VAL 19 1HG1 VAL 19 -4.760 0.867 -4.581 127 HG12 VAL 19 2HG1 VAL 19 -4.135 -0.060 -3.222 128 HG13 VAL 19 3HG1 VAL 19 -5.870 -0.082 -3.564 129 HG21 VAL 19 3HG2 VAL 19 -3.944 3.285 -1.837 130 HG22 VAL 19 1HG2 VAL 19 -3.048 1.982 -2.619 131 HG23 VAL 19 2HG2 VAL 19 -3.905 3.163 -3.618 132 H VAL 20 H VAL 20 -7.706 2.716 -0.730 133 HA VAL 20 HA VAL 20 -6.792 5.476 -0.167 134 HB VAL 20 HB VAL 20 -8.848 5.784 -1.297 135 HG11 VAL 20 1HG1 VAL 20 -10.062 3.841 -1.353 136 HG12 VAL 20 2HG1 VAL 20 -9.886 3.533 0.376 137 HG13 VAL 20 3HG1 VAL 20 -11.016 4.776 -0.193 138 HG21 VAL 20 3HG2 VAL 20 -10.180 7.006 0.263 139 HG22 VAL 20 1HG2 VAL 20 -9.539 6.091 1.630 140 HG23 VAL 20 2HG2 VAL 20 -8.489 7.198 0.718 141 H TYR 21 H TYR 21 -6.681 6.005 2.015 142 HA TYR 21 HA TYR 21 -6.435 3.708 3.869 143 HB2 TYR 21 1HB TYR 21 -5.600 6.559 3.763 144 HB3 TYR 21 2HB TYR 21 -6.167 6.024 5.329 145 HD1 TYR 21 HD1 TYR 21 -4.161 4.095 2.757 146 HD2 TYR 21 HD2 TYR 21 -4.318 5.858 6.704 147 HE1 TYR 21 HE1 TYR 21 -1.946 3.055 3.333 148 HE2 TYR 21 HE2 TYR 21 -2.121 4.878 7.232 149 HH TYR 21 HH TYR 21 -0.389 3.603 6.508 150 HA PRO 22 HA PRO 22 -10.381 3.939 5.738 151 HB2 PRO 22 1HB PRO 22 -9.956 3.356 8.382 152 HB3 PRO 22 2HB PRO 22 -9.705 2.175 7.068 153 HG2 PRO 22 1HG PRO 22 -7.623 3.905 8.429 154 HG3 PRO 22 2HG PRO 22 -7.553 2.146 8.093 155 HD2 PRO 22 1HD PRO 22 -6.363 3.973 6.454 156 HD3 PRO 22 2HD PRO 22 -7.148 2.519 5.784 157 H ASN 23 H ASN 23 -7.972 6.112 6.996 158 HA ASN 23 HA ASN 23 -9.826 8.321 7.158 159 HB2 ASN 23 1HB ASN 23 -10.278 7.203 9.359 160 HB3 ASN 23 2HB ASN 23 -8.570 7.316 9.763 161 HD21 ASN 23 2HD2 ASN 23 -11.238 9.515 8.606 162 HD22 ASN 23 1HD2 ASN 23 -10.802 10.782 9.745 163 H GLN 24 H GLN 24 -8.071 8.621 5.433 164 HA GLN 24 HA GLN 24 -6.146 10.571 6.422 165 HB2 GLN 24 1HB GLN 24 -5.233 7.848 5.904 166 HB3 GLN 24 2HB GLN 24 -4.393 8.961 4.857 167 HG2 GLN 24 1HG GLN 24 -4.530 9.797 7.724 168 HG3 GLN 24 2HG GLN 24 -3.687 8.287 7.421 169 HE21 GLN 24 2HE2 GLN 24 -1.628 8.324 6.396 170 HE22 GLN 24 1HE2 GLN 24 -0.858 9.849 5.972 171 H GLY 25 H GLY 25 -6.229 8.596 3.398 172 HA2 GLY 25 1HA GLY 25 -7.464 10.525 1.719 173 HA3 GLY 25 2HA GLY 25 -5.717 10.801 1.694 174 H VAL 26 H VAL 26 -6.751 10.260 -0.627 175 HA VAL 26 HA VAL 26 -6.722 7.377 -1.282 176 HB VAL 26 HB VAL 26 -7.370 8.011 -3.509 177 HG11 VAL 26 1HG1 VAL 26 -8.974 9.504 -1.384 178 HG12 VAL 26 2HG1 VAL 26 -9.524 9.203 -3.039 179 HG13 VAL 26 3HG1 VAL 26 -9.206 7.846 -1.961 180 HG21 VAL 26 3HG2 VAL 26 -7.844 10.348 -4.161 181 HG22 VAL 26 1HG2 VAL 26 -7.097 10.922 -2.659 182 HG23 VAL 26 2HG2 VAL 26 -6.125 10.078 -3.886 183 H CYS 27 H CYS 27 -5.285 6.394 -2.703 184 HA CYS 27 HA CYS 27 -2.789 7.809 -3.456 185 HB2 CYS 27 1HB CYS 27 -2.802 5.062 -2.147 186 HB3 CYS 27 2HB CYS 27 -1.402 6.055 -2.539 187 HG CYS 27 HG CYS 27 -3.819 6.679 -0.341 188 H ARG 28 H ARG 28 -1.439 6.335 -4.923 189 HA ARG 28 HA ARG 28 -3.151 4.671 -6.713 190 HB2 ARG 28 1HB ARG 28 -2.568 7.308 -7.206 191 HB3 ARG 28 2HB ARG 28 -1.186 6.565 -7.988 192 HG2 ARG 28 1HG ARG 28 -4.000 5.551 -8.535 193 HG3 ARG 28 2HG ARG 28 -3.471 7.059 -9.245 194 HD2 ARG 28 1HD ARG 28 -1.958 4.440 -9.556 195 HD3 ARG 28 2HD ARG 28 -3.173 4.999 -10.711 196 HE ARG 28 HE ARG 28 -0.429 5.824 -10.564 197 HH11 ARG 28 1HH1 ARG 28 -3.523 7.277 -11.345 198 HH12 ARG 28 2HH1 ARG 28 -2.729 8.705 -11.960 199 HH21 ARG 28 1HH2 ARG 28 0.434 7.535 -11.695 200 HH22 ARG 28 2HH2 ARG 28 -0.649 8.718 -12.376 201 H VAL 29 H VAL 29 -2.258 2.766 -7.087 202 HA VAL 29 HA VAL 29 0.272 2.010 -5.956 203 HB VAL 29 HB VAL 29 -1.307 0.451 -8.025 204 HG11 VAL 29 1HG1 VAL 29 0.983 -0.459 -7.597 205 HG12 VAL 29 2HG1 VAL 29 0.672 -0.426 -5.851 206 HG13 VAL 29 3HG1 VAL 29 -0.251 -1.513 -6.910 207 HG21 VAL 29 3HG2 VAL 29 -1.511 0.411 -4.985 208 HG22 VAL 29 1HG2 VAL 29 -2.759 1.017 -6.094 209 HG23 VAL 29 2HG2 VAL 29 -2.348 -0.696 -6.106 210 H SER 30 H SER 30 2.303 2.137 -6.667 211 HA SER 30 HA SER 30 2.775 2.836 -9.543 212 HB2 SER 30 1HB SER 30 4.764 3.968 -8.890 213 HB3 SER 30 2HB SER 30 3.414 4.566 -7.923 214 HG SER 30 HG SER 30 5.352 2.638 -7.074 215 H ALA 31 H ALA 31 3.993 0.720 -6.928 216 HA ALA 31 HA ALA 31 4.790 -1.311 -8.835 217 HB1 ALA 31 3HB ALA 31 6.960 0.079 -7.184 218 HB2 ALA 31 1HB ALA 31 7.178 -1.377 -8.187 219 HB3 ALA 31 2HB ALA 31 6.788 0.174 -8.948 220 H ILE 32 H ILE 32 5.568 -3.298 -7.663 221 HA ILE 32 HA ILE 32 4.963 -3.404 -4.760 222 HB ILE 32 HB ILE 32 3.616 -5.259 -6.778 223 HG12 ILE 32 1HG1 ILE 32 2.327 -3.146 -4.993 224 HG13 ILE 32 2HG1 ILE 32 2.566 -2.949 -6.709 225 HG21 ILE 32 1HG2 ILE 32 4.194 -6.432 -4.719 226 HG22 ILE 32 2HG2 ILE 32 3.581 -5.106 -3.720 227 HG23 ILE 32 3HG2 ILE 32 2.474 -6.120 -4.655 228 HD11 ILE 32 3HD1 ILE 32 0.244 -3.743 -5.774 229 HD12 ILE 32 1HD1 ILE 32 0.872 -4.265 -7.345 230 HD13 ILE 32 2HD1 ILE 32 0.963 -5.351 -5.951 231 H ASP 33 H ASP 33 6.300 -4.795 -3.682 232 HA ASP 33 HA ASP 33 7.772 -6.877 -5.158 233 HB2 ASP 33 1HB ASP 33 9.003 -4.453 -4.964 234 HB3 ASP 33 2HB ASP 33 9.482 -5.134 -3.418 235 H VAL 34 H VAL 34 9.335 -8.028 -3.408 236 HA VAL 34 HA VAL 34 7.902 -8.294 -0.804 237 HB VAL 34 HB VAL 34 7.083 -10.145 -2.021 238 HG11 VAL 34 1HG1 VAL 34 9.950 -10.890 -2.724 239 HG12 VAL 34 2HG1 VAL 34 8.515 -11.890 -3.030 240 HG13 VAL 34 3HG1 VAL 34 8.694 -10.341 -3.861 241 HG21 VAL 34 3HG2 VAL 34 7.774 -12.016 -0.701 242 HG22 VAL 34 1HG2 VAL 34 9.361 -11.295 -0.365 243 HG23 VAL 34 2HG2 VAL 34 7.897 -10.597 0.339 244 H LYS 35 H LYS 35 9.134 -8.537 0.953 245 HA LYS 35 HA LYS 35 12.001 -9.044 0.797 246 HB2 LYS 35 1HB LYS 35 12.728 -6.975 1.835 247 HB3 LYS 35 2HB LYS 35 12.009 -6.642 0.275 248 HG2 LYS 35 1HG LYS 35 10.115 -5.603 1.180 249 HG3 LYS 35 2HG LYS 35 10.285 -6.371 2.763 250 HD2 LYS 35 1HD LYS 35 12.279 -4.342 1.687 251 HD3 LYS 35 2HD LYS 35 10.880 -3.905 2.676 252 HE2 LYS 35 1HE LYS 35 11.777 -4.655 4.602 253 HE3 LYS 35 2HE LYS 35 12.391 -6.132 3.866 254 HZ1 LYS 35 3HZ LYS 35 13.727 -3.482 3.759 255 HZ2 LYS 35 1HZ LYS 35 14.272 -4.819 2.989 256 HZ3 LYS 35 2HZ LYS 35 14.221 -4.784 4.615 257 H GLU 36 H GLU 36 13.018 -9.029 2.941 258 HA GLU 36 HA GLU 36 11.175 -10.030 5.068 259 HB2 GLU 36 1HB GLU 36 13.756 -10.927 4.117 260 HB3 GLU 36 2HB GLU 36 13.951 -10.326 5.760 261 HG2 GLU 36 1HG GLU 36 11.760 -11.774 6.204 262 HG3 GLU 36 2HG GLU 36 12.304 -12.620 4.753 263 H VAL 37 H VAL 37 10.574 -8.613 6.560 264 HA VAL 37 HA VAL 37 12.604 -6.646 7.563 265 HB VAL 37 HB VAL 37 10.824 -5.566 6.212 266 HG11 VAL 37 1HG1 VAL 37 8.592 -5.260 7.092 267 HG12 VAL 37 2HG1 VAL 37 8.908 -7.002 6.879 268 HG13 VAL 37 3HG1 VAL 37 8.941 -6.279 8.497 269 HG21 VAL 37 3HG2 VAL 37 10.750 -3.680 7.522 270 HG22 VAL 37 1HG2 VAL 37 10.508 -4.571 9.037 271 HG23 VAL 37 2HG2 VAL 37 12.107 -4.535 8.265 272 H ALA 38 H ALA 38 12.907 -6.572 9.719 273 HA ALA 38 HA ALA 38 13.079 -7.465 11.807 274 HB1 ALA 38 3HB ALA 38 11.067 -7.183 13.139 275 HB2 ALA 38 1HB ALA 38 11.170 -5.885 11.935 276 HB3 ALA 38 2HB ALA 38 10.050 -7.243 11.684 277 H GLY 39 H GLY 39 13.038 -9.557 9.761 278 HA2 GLY 39 1HA GLY 39 13.257 -11.883 9.821 279 HA3 GLY 39 2HA GLY 39 12.575 -11.918 11.438 280 H GLN 40 H GLN 40 10.787 -10.362 8.793 281 HA GLN 40 HA GLN 40 9.006 -12.714 8.431 282 HB2 GLN 40 1HB GLN 40 8.347 -10.168 9.801 283 HB3 GLN 40 2HB GLN 40 7.319 -10.466 8.409 284 HG2 GLN 40 1HG GLN 40 6.993 -12.860 9.372 285 HG3 GLN 40 2HG GLN 40 7.657 -12.193 10.869 286 HE21 GLN 40 2HE2 GLN 40 4.984 -11.909 8.475 287 HE22 GLN 40 1HE2 GLN 40 3.897 -11.099 9.595 288 H LYS 41 H LYS 41 8.813 -13.146 6.353 289 HA LYS 41 HA LYS 41 9.331 -11.046 4.319 290 HB2 LYS 41 1HB LYS 41 10.322 -13.587 4.457 291 HB3 LYS 41 2HB LYS 41 8.899 -13.881 3.465 292 HG2 LYS 41 1HG LYS 41 9.636 -12.056 1.900 293 HG3 LYS 41 2HG LYS 41 11.033 -11.764 2.935 294 HD2 LYS 41 1HD LYS 41 11.883 -13.059 1.178 295 HD3 LYS 41 2HD LYS 41 11.739 -14.170 2.549 296 HE2 LYS 41 1HE LYS 41 9.468 -14.874 1.578 297 HE3 LYS 41 2HE LYS 41 9.854 -13.889 0.160 298 HZ1 LYS 41 3HZ LYS 41 11.855 -15.287 -0.145 299 HZ2 LYS 41 1HZ LYS 41 10.497 -16.191 -0.203 300 HZ3 LYS 41 2HZ LYS 41 11.431 -16.214 1.133 301 H LEU 42 H LEU 42 7.743 -10.109 3.171 302 HA LEU 42 HA LEU 42 5.335 -11.569 2.461 303 HB2 LEU 42 1HB LEU 42 3.735 -10.553 3.817 304 HB3 LEU 42 2HB LEU 42 5.038 -10.816 4.927 305 HG LEU 42 HG LEU 42 5.615 -8.265 3.987 306 HD11 LEU 42 1HD1 LEU 42 3.224 -8.545 2.888 307 HD12 LEU 42 2HD1 LEU 42 3.738 -7.054 3.643 308 HD13 LEU 42 3HD1 LEU 42 2.659 -8.201 4.520 309 HD21 LEU 42 3HD2 LEU 42 5.727 -8.886 6.324 310 HD22 LEU 42 1HD2 LEU 42 3.963 -9.072 6.404 311 HD23 LEU 42 2HD2 LEU 42 4.685 -7.466 6.147 312 H THR 43 H THR 43 3.846 -10.249 1.075 313 HA THR 43 HA THR 43 5.282 -8.654 -0.838 314 HB THR 43 HB THR 43 2.249 -8.751 -0.532 315 HG1 THR 43 HG1 THR 43 3.944 -10.648 -1.809 316 HG21 THR 43 3HG2 THR 43 4.137 -8.477 -2.913 317 HG22 THR 43 1HG2 THR 43 2.977 -7.275 -2.296 318 HG23 THR 43 2HG2 THR 43 2.390 -8.768 -3.046 319 H PHE 44 H PHE 44 5.874 -6.538 -0.613 320 HA PHE 44 HA PHE 44 4.187 -4.718 1.071 321 HB2 PHE 44 1HB PHE 44 7.127 -4.523 0.369 322 HB3 PHE 44 2HB PHE 44 6.163 -3.251 1.122 323 HD1 PHE 44 HD2 PHE 44 5.260 -3.452 3.398 324 HD2 PHE 44 HD1 PHE 44 7.864 -6.451 1.706 325 HE1 PHE 44 HE2 PHE 44 5.578 -4.470 5.668 326 HE2 PHE 44 HE1 PHE 44 8.178 -7.436 3.964 327 HZ PHE 44 HZ PHE 44 6.954 -6.507 5.900 328 H VAL 45 H VAL 45 2.893 -3.526 -0.037 329 HA VAL 45 HA VAL 45 3.240 -3.038 -2.929 330 HB VAL 45 HB VAL 45 1.097 -1.805 -2.698 331 HG11 VAL 45 1HG1 VAL 45 -0.241 -3.876 -2.494 332 HG12 VAL 45 2HG1 VAL 45 1.232 -4.188 -3.399 333 HG13 VAL 45 3HG1 VAL 45 1.139 -4.689 -1.718 334 HG21 VAL 45 3HG2 VAL 45 1.430 -1.515 -0.071 335 HG22 VAL 45 1HG2 VAL 45 -0.151 -1.728 -0.723 336 HG23 VAL 45 2HG2 VAL 45 0.674 -3.114 0.001 337 H THR 46 H THR 46 3.768 -1.040 -3.854 338 HA THR 46 HA THR 46 4.397 1.218 -1.994 339 HB THR 46 HB THR 46 5.777 0.741 -4.645 340 HG1 THR 46 HG1 THR 46 6.269 -0.965 -3.216 341 HG21 THR 46 3HG2 THR 46 5.776 3.055 -3.474 342 HG22 THR 46 1HG2 THR 46 7.349 2.343 -3.871 343 HG23 THR 46 2HG2 THR 46 6.748 2.278 -2.205 344 H MET 47 H MET 47 3.091 2.882 -2.267 345 HA MET 47 HA MET 47 1.891 3.416 -4.947 346 HB2 MET 47 1HB MET 47 0.541 3.942 -2.281 347 HB3 MET 47 2HB MET 47 -0.151 4.061 -3.888 348 HG2 MET 47 1HG MET 47 -1.019 2.043 -3.395 349 HG3 MET 47 2HG MET 47 0.544 1.442 -3.918 350 HE1 MET 47 3HE MET 47 -1.065 3.115 -0.806 351 HE2 MET 47 1HE MET 47 -1.961 1.586 -0.729 352 HE3 MET 47 2HE MET 47 -0.753 1.962 0.508 353 H ARG 48 H ARG 48 1.415 5.631 -5.357 354 HA ARG 48 HA ARG 48 2.911 7.642 -3.718 355 HB2 ARG 48 1HB ARG 48 3.176 7.334 -6.744 356 HB3 ARG 48 2HB ARG 48 3.882 8.614 -5.741 357 HG2 ARG 48 1HG ARG 48 5.149 6.854 -4.472 358 HG3 ARG 48 2HG ARG 48 4.559 5.640 -5.593 359 HD2 ARG 48 1HD ARG 48 5.880 6.360 -7.349 360 HD3 ARG 48 2HD ARG 48 5.895 8.037 -6.790 361 HE ARG 48 HE ARG 48 7.796 7.652 -5.592 362 HH11 ARG 48 1HH1 ARG 48 6.484 4.460 -6.238 363 HH12 ARG 48 2HH1 ARG 48 7.935 3.680 -5.658 364 HH21 ARG 48 1HH2 ARG 48 9.527 6.590 -4.766 365 HH22 ARG 48 2HH2 ARG 48 9.571 4.856 -4.763 366 H ARG 49 H ARG 49 1.905 9.535 -3.494 367 HA ARG 49 HA ARG 49 -0.817 9.820 -4.773 368 HB2 ARG 49 1HB ARG 49 0.339 11.514 -2.529 369 HB3 ARG 49 2HB ARG 49 -1.344 11.379 -3.046 370 HG2 ARG 49 1HG ARG 49 -1.319 8.985 -2.243 371 HG3 ARG 49 2HG ARG 49 0.309 9.245 -1.611 372 HD2 ARG 49 1HD ARG 49 -2.222 10.690 -0.756 373 HD3 ARG 49 2HD ARG 49 -1.327 9.469 0.169 374 HE ARG 49 HE ARG 49 0.522 11.489 -0.348 375 HH11 ARG 49 1HH1 ARG 49 -2.454 11.305 1.450 376 HH12 ARG 49 2HH1 ARG 49 -2.032 12.648 2.481 377 HH21 ARG 49 1HH2 ARG 49 1.001 13.231 0.963 378 HH22 ARG 49 2HH2 ARG 49 -0.120 13.692 2.201 379 H GLU 50 H GLU 50 -0.545 10.742 -6.720 380 HA GLU 50 HA GLU 50 1.402 12.775 -7.348 381 HB2 GLU 50 1HB GLU 50 0.292 12.942 -9.483 382 HB3 GLU 50 2HB GLU 50 0.511 11.268 -9.007 383 HG2 GLU 50 1HG GLU 50 -2.070 11.881 -8.045 384 HG3 GLU 50 2HG GLU 50 -1.971 12.781 -9.551 385 H GLU 51 H GLU 51 -1.559 13.034 -5.686 386 HA GLU 51 HA GLU 51 -2.460 15.651 -6.304 387 HB2 GLU 51 1HB GLU 51 -2.526 14.152 -3.650 388 HB3 GLU 51 2HB GLU 51 -3.470 15.596 -4.035 389 HG2 GLU 51 1HG GLU 51 -4.528 14.318 -5.941 390 HG3 GLU 51 2HG GLU 51 -3.728 12.858 -5.346 391 H ASP 52 H ASP 52 0.047 14.613 -4.060 392 HA ASP 52 HA ASP 52 0.955 17.456 -3.692 393 HB2 ASP 52 1HB ASP 52 -0.225 16.461 -1.692 394 HB3 ASP 52 2HB ASP 52 1.065 15.263 -1.593 395 H GLY 53 H GLY 53 1.892 14.146 -4.393 396 HA2 GLY 53 1HA GLY 53 3.866 13.526 -5.496 397 HA3 GLY 53 2HA GLY 53 4.704 14.951 -4.892 398 H ALA 54 H ALA 54 2.819 12.804 -2.809 399 HA ALA 54 HA ALA 54 5.263 12.137 -1.233 400 HB1 ALA 54 3HB ALA 54 3.312 13.225 -0.107 401 HB2 ALA 54 1HB ALA 54 2.323 11.799 -0.523 402 HB3 ALA 54 2HB ALA 54 3.709 11.638 0.574 403 H VAL 55 H VAL 55 5.234 9.930 -0.171 404 HA VAL 55 HA VAL 55 4.257 7.767 -1.986 405 HB VAL 55 HB VAL 55 6.238 6.524 -1.737 406 HG11 VAL 55 1HG1 VAL 55 7.843 7.822 -2.934 407 HG12 VAL 55 2HG1 VAL 55 6.250 8.433 -3.429 408 HG13 VAL 55 3HG1 VAL 55 7.227 9.349 -2.277 409 HG21 VAL 55 3HG2 VAL 55 6.928 6.982 0.553 410 HG22 VAL 55 1HG2 VAL 55 8.260 7.365 -0.539 411 HG23 VAL 55 2HG2 VAL 55 7.282 8.678 0.149 412 H VAL 56 H VAL 56 3.791 5.757 -1.040 413 HA VAL 56 HA VAL 56 3.714 5.476 1.891 414 HB VAL 56 HB VAL 56 1.694 6.645 1.598 415 HG11 VAL 56 1HG1 VAL 56 0.352 6.668 -0.150 416 HG12 VAL 56 2HG1 VAL 56 1.459 5.592 -0.996 417 HG13 VAL 56 3HG1 VAL 56 0.095 4.917 -0.100 418 HG21 VAL 56 3HG2 VAL 56 0.027 5.089 2.409 419 HG22 VAL 56 1HG2 VAL 56 0.964 3.704 1.822 420 HG23 VAL 56 2HG2 VAL 56 1.601 4.727 3.132 421 H MET 57 H MET 57 4.309 3.492 2.379 422 HA MET 57 HA MET 57 3.837 1.279 0.447 423 HB2 MET 57 1HB MET 57 6.220 2.075 0.400 424 HB3 MET 57 2HB MET 57 6.343 1.683 2.120 425 HG2 MET 57 1HG MET 57 5.555 -0.720 1.341 426 HG3 MET 57 2HG MET 57 6.033 -0.149 -0.257 427 HE1 MET 57 3HE MET 57 8.929 -2.412 0.110 428 HE2 MET 57 1HE MET 57 7.318 -2.072 -0.563 429 HE3 MET 57 2HE MET 57 8.702 -1.064 -1.028 430 H VAL 58 H VAL 58 2.692 -0.332 1.308 431 HA VAL 58 HA VAL 58 2.786 -0.793 4.251 432 HB VAL 58 HB VAL 58 0.349 -1.219 4.338 433 HG11 VAL 58 1HG1 VAL 58 0.607 0.795 5.255 434 HG12 VAL 58 2HG1 VAL 58 1.453 1.502 3.872 435 HG13 VAL 58 3HG1 VAL 58 -0.302 1.321 3.837 436 HG21 VAL 58 3HG2 VAL 58 0.195 -0.070 1.554 437 HG22 VAL 58 1HG2 VAL 58 -0.121 -1.764 2.044 438 HG23 VAL 58 2HG2 VAL 58 -1.164 -0.461 2.629 439 HA PRO 59 HA PRO 59 3.074 -5.054 3.158 440 HB2 PRO 59 1HB PRO 59 2.102 -6.241 5.412 441 HB3 PRO 59 2HB PRO 59 3.678 -5.452 5.359 442 HG2 PRO 59 1HG PRO 59 1.065 -4.326 6.372 443 HG3 PRO 59 2HG PRO 59 2.683 -4.254 7.155 444 HD2 PRO 59 1HD PRO 59 1.727 -2.180 5.737 445 HD3 PRO 59 2HD PRO 59 3.446 -2.644 5.611 446 H GLU 60 H GLU 60 1.761 -6.052 1.668 447 HA GLU 60 HA GLU 60 -1.136 -5.831 1.682 448 HB2 GLU 60 1HB GLU 60 0.896 -6.828 -0.130 449 HB3 GLU 60 2HB GLU 60 -0.371 -8.037 0.015 450 HG2 GLU 60 1HG GLU 60 -0.826 -5.103 -0.579 451 HG3 GLU 60 2HG GLU 60 -0.672 -6.338 -1.818 452 H GLY 61 H GLY 61 1.045 -8.360 2.827 453 HA2 GLY 61 1HA GLY 61 -1.218 -10.141 3.618 454 HA3 GLY 61 2HA GLY 61 0.506 -10.513 3.737 455 H LYS 62 H LYS 62 -0.022 -7.472 5.006 456 HA LYS 62 HA LYS 62 -0.602 -8.415 7.793 457 HB2 LYS 62 1HB LYS 62 1.952 -8.039 6.941 458 HB3 LYS 62 2HB LYS 62 1.538 -6.396 7.454 459 HG2 LYS 62 1HG LYS 62 1.119 -7.094 9.692 460 HG3 LYS 62 2HG LYS 62 1.408 -8.795 9.262 461 HD2 LYS 62 1HD LYS 62 3.690 -8.506 8.967 462 HD3 LYS 62 2HD LYS 62 3.588 -6.812 8.494 463 HE2 LYS 62 1HE LYS 62 2.856 -7.659 11.322 464 HE3 LYS 62 2HE LYS 62 4.555 -7.510 10.865 465 HZ1 LYS 62 3HZ LYS 62 3.620 -5.428 11.788 466 HZ2 LYS 62 1HZ LYS 62 2.585 -5.309 10.530 467 HZ3 LYS 62 2HZ LYS 62 4.201 -5.216 10.281 468 H VAL 63 H VAL 63 -1.538 -6.305 5.406 469 HA VAL 63 HA VAL 63 -2.097 -3.861 6.550 470 HB VAL 63 HB VAL 63 -4.294 -3.962 5.352 471 HG11 VAL 63 1HG1 VAL 63 -2.111 -3.045 4.387 472 HG12 VAL 63 2HG1 VAL 63 -2.108 -4.507 3.379 473 HG13 VAL 63 3HG1 VAL 63 -3.464 -3.392 3.296 474 HG21 VAL 63 3HG2 VAL 63 -4.213 -6.637 5.261 475 HG22 VAL 63 1HG2 VAL 63 -5.086 -5.630 4.101 476 HG23 VAL 63 2HG2 VAL 63 -3.493 -6.272 3.691 477 H LEU 64 H LEU 64 -3.650 -6.877 7.331 478 HA LEU 64 HA LEU 64 -5.930 -6.040 8.752 479 HB2 LEU 64 1HB LEU 64 -4.178 -8.406 9.498 480 HB3 LEU 64 2HB LEU 64 -5.911 -8.223 9.731 481 HG LEU 64 HG LEU 64 -4.431 -8.731 7.096 482 HD11 LEU 64 1HD1 LEU 64 -5.719 -10.805 7.118 483 HD12 LEU 64 2HD1 LEU 64 -6.545 -10.322 8.617 484 HD13 LEU 64 3HD1 LEU 64 -4.799 -10.658 8.626 485 HD21 LEU 64 3HD2 LEU 64 -7.414 -8.218 7.547 486 HD22 LEU 64 1HD2 LEU 64 -6.688 -8.847 6.050 487 HD23 LEU 64 2HD2 LEU 64 -6.308 -7.209 6.590 488 H ALA 65 H ALA 65 -2.557 -5.976 9.741 489 HA ALA 65 HA ALA 65 -3.025 -5.537 12.580 490 HB1 ALA 65 3HB ALA 65 -0.500 -5.059 10.936 491 HB2 ALA 65 1HB ALA 65 -0.628 -5.337 12.685 492 HB3 ALA 65 2HB ALA 65 -0.995 -6.651 11.551 493 H ILE 66 H ILE 66 -2.008 -3.446 9.840 494 HA ILE 66 HA ILE 66 -2.024 -0.967 11.366 495 HB ILE 66 HB ILE 66 -2.190 -1.377 8.356 496 HG12 ILE 66 1HG1 ILE 66 0.415 -0.467 9.064 497 HG13 ILE 66 2HG1 ILE 66 0.064 -1.710 10.247 498 HG21 ILE 66 1HG2 ILE 66 -1.283 1.070 9.943 499 HG22 ILE 66 2HG2 ILE 66 -1.265 0.896 8.173 500 HG23 ILE 66 3HG2 ILE 66 -2.797 0.940 9.040 501 HD11 ILE 66 3HD1 ILE 66 -0.434 -3.303 8.399 502 HD12 ILE 66 1HD1 ILE 66 -0.126 -2.009 7.216 503 HD13 ILE 66 2HD1 ILE 66 1.188 -2.594 8.259 504 H GLY 67 H GLY 67 -4.461 -2.753 9.577 505 HA2 GLY 67 1HA GLY 67 -6.795 -2.615 9.826 506 HA3 GLY 67 2HA GLY 67 -6.654 -1.022 10.566 507 H VAL 68 H VAL 68 -4.760 -1.127 7.787 508 HA VAL 68 HA VAL 68 -6.578 0.650 6.312 509 HB VAL 68 HB VAL 68 -4.661 0.895 4.741 510 HG11 VAL 68 1HG1 VAL 68 -4.438 1.491 7.683 511 HG12 VAL 68 2HG1 VAL 68 -3.113 1.925 6.592 512 HG13 VAL 68 3HG1 VAL 68 -4.723 2.550 6.303 513 HG21 VAL 68 3HG2 VAL 68 -3.428 -1.323 6.340 514 HG22 VAL 68 1HG2 VAL 68 -3.255 -0.876 4.642 515 HG23 VAL 68 2HG2 VAL 68 -2.371 0.018 5.872 516 H ARG 69 H ARG 69 -8.005 0.004 4.733 517 HA ARG 69 HA ARG 69 -7.509 -2.675 3.477 518 HB2 ARG 69 1HB ARG 69 -9.921 -1.328 4.457 519 HB3 ARG 69 2HB ARG 69 -10.109 -1.768 2.772 520 HG2 ARG 69 1HG ARG 69 -9.287 -3.620 5.055 521 HG3 ARG 69 2HG ARG 69 -10.898 -3.512 4.352 522 HD2 ARG 69 1HD ARG 69 -8.905 -4.002 2.256 523 HD3 ARG 69 2HD ARG 69 -8.740 -5.184 3.563 524 HE ARG 69 HE ARG 69 -11.505 -4.921 2.826 525 HH11 ARG 69 1HH1 ARG 69 -8.553 -6.372 1.638 526 HH12 ARG 69 2HH1 ARG 69 -9.404 -7.565 0.699 527 HH21 ARG 69 1HH2 ARG 69 -12.539 -6.453 1.594 528 HH22 ARG 69 2HH2 ARG 69 -11.606 -7.600 0.681 529 H LYS 70 H LYS 70 -6.355 -2.469 1.711 530 HA LYS 70 HA LYS 70 -6.865 -0.146 -0.147 531 HB2 LYS 70 1HB LYS 70 -4.711 -0.918 -1.169 532 HB3 LYS 70 2HB LYS 70 -4.603 -0.161 0.412 533 HG2 LYS 70 1HG LYS 70 -4.092 -2.166 1.520 534 HG3 LYS 70 2HG LYS 70 -4.629 -3.197 0.193 535 HD2 LYS 70 1HD LYS 70 -2.235 -1.330 0.087 536 HD3 LYS 70 2HD LYS 70 -2.156 -3.069 0.408 537 HE2 LYS 70 1HE LYS 70 -2.250 -3.592 -1.772 538 HE3 LYS 70 2HE LYS 70 -3.766 -2.728 -1.938 539 HZ1 LYS 70 3HZ LYS 70 -2.160 -1.746 -3.435 540 HZ2 LYS 70 1HZ LYS 70 -1.057 -1.536 -2.256 541 HZ3 LYS 70 2HZ LYS 70 -2.418 -0.647 -2.239 542 H VAL 71 H VAL 71 -8.481 -0.631 -1.443 543 HA VAL 71 HA VAL 71 -8.304 -2.862 -3.329 544 HB VAL 71 HB VAL 71 -10.977 -2.685 -1.988 545 HG11 VAL 71 1HG1 VAL 71 -10.902 -5.175 -2.396 546 HG12 VAL 71 2HG1 VAL 71 -10.690 -4.231 -3.864 547 HG13 VAL 71 3HG1 VAL 71 -9.282 -4.977 -3.079 548 HG21 VAL 71 3HG2 VAL 71 -9.596 -2.877 0.050 549 HG22 VAL 71 1HG2 VAL 71 -10.559 -4.314 -0.274 550 HG23 VAL 71 2HG2 VAL 71 -8.827 -4.343 -0.628 551 H ALA 72 H ALA 72 -10.030 -2.757 -4.957 552 HA ALA 72 HA ALA 72 -10.414 -0.331 -6.220 553 HB1 ALA 72 3HB ALA 72 -10.851 -1.997 -7.681 554 HB2 ALA 72 1HB ALA 72 -11.454 -3.107 -6.434 555 HB3 ALA 72 2HB ALA 72 -12.525 -1.884 -7.122 556 H SER 73 H SER 73 -12.175 -1.289 -3.441 557 HA SER 73 HA SER 73 -13.855 1.140 -3.607 558 HB2 SER 73 1HB SER 73 -15.862 -0.096 -2.785 559 HB3 SER 73 2HB SER 73 -15.409 -0.461 -4.456 560 HG SER 73 HG SER 73 -14.629 -2.424 -3.848 561 H ALA 74 H ALA 74 -13.235 -1.681 -1.489 562 HA ALA 74 HA ALA 74 -13.692 -0.507 0.998 563 HB1 ALA 74 3HB ALA 74 -11.620 -2.399 1.350 564 HB2 ALA 74 1HB ALA 74 -13.363 -2.621 1.532 565 HB3 ALA 74 2HB ALA 74 -12.585 -2.966 -0.017 566 H GLU 75 H GLU 75 -12.562 0.416 2.606 567 HA GLU 75 HA GLU 75 -9.933 1.690 2.081 568 HB2 GLU 75 1HB GLU 75 -10.625 3.800 2.756 569 HB3 GLU 75 2HB GLU 75 -11.783 3.255 1.543 570 HG2 GLU 75 1HG GLU 75 -13.446 2.790 3.282 571 HG3 GLU 75 2HG GLU 75 -12.289 3.249 4.538 Start of MODEL 13 1 H1 ALA 1 1H ALA 1 -8.221 19.511 -10.472 2 H2 ALA 1 2H ALA 1 -8.349 19.444 -12.107 3 H3 ALA 1 3H ALA 1 -9.692 19.608 -11.186 4 HA ALA 1 HA ALA 1 -9.544 17.379 -11.998 5 HB1 ALA 1 3HB ALA 1 -7.091 16.834 -10.336 6 HB2 ALA 1 1HB ALA 1 -7.691 16.026 -11.798 7 HB3 ALA 1 2HB ALA 1 -6.870 17.589 -11.927 8 H GLY 2 H GLY 2 -10.716 15.881 -10.809 9 HA2 GLY 2 1HA GLY 2 -10.670 15.797 -7.871 10 HA3 GLY 2 2HA GLY 2 -12.083 16.615 -8.541 11 H HIS 3 H HIS 3 -10.267 13.716 -9.582 12 HA HIS 3 HA HIS 3 -12.749 12.171 -9.962 13 HB2 HIS 3 1HB HIS 3 -10.130 12.056 -11.065 14 HB3 HIS 3 2HB HIS 3 -10.265 10.598 -10.099 15 HD1 HIS 3 HD1 HIS 3 -11.601 8.643 -11.292 16 HD2 HIS 3 HD2 HIS 3 -12.271 12.521 -12.849 17 HE1 HIS 3 HE1 HIS 3 -13.073 8.349 -13.391 18 HE2 HIS 3 HE2 HIS 3 -13.483 10.711 -14.331 19 H MET 4 H MET 4 -13.135 10.135 -8.982 20 HA MET 4 HA MET 4 -12.111 9.825 -6.181 21 HB2 MET 4 1HB MET 4 -14.873 9.513 -7.388 22 HB3 MET 4 2HB MET 4 -14.403 8.415 -6.115 23 HG2 MET 4 1HG MET 4 -15.185 9.942 -4.730 24 HG3 MET 4 2HG MET 4 -13.622 10.716 -4.922 25 HE1 MET 4 3HE MET 4 -16.791 11.809 -4.076 26 HE2 MET 4 1HE MET 4 -15.213 12.524 -3.684 27 HE3 MET 4 2HE MET 4 -16.445 13.493 -4.525 28 HA PRO 5 HA PRO 5 -10.702 5.753 -7.230 29 HB2 PRO 5 1HB PRO 5 -11.167 4.297 -4.985 30 HB3 PRO 5 2HB PRO 5 -9.994 5.649 -4.991 31 HG2 PRO 5 1HG PRO 5 -12.869 5.784 -4.074 32 HG3 PRO 5 2HG PRO 5 -11.395 6.298 -3.189 33 HD2 PRO 5 1HD PRO 5 -12.851 8.059 -4.600 34 HD3 PRO 5 2HD PRO 5 -11.072 8.136 -4.662 35 H GLU 6 H GLU 6 -11.462 3.765 -8.022 36 HA GLU 6 HA GLU 6 -13.851 2.412 -7.491 37 HB2 GLU 6 1HB GLU 6 -14.260 4.696 -9.331 38 HB3 GLU 6 2HB GLU 6 -14.703 3.186 -10.082 39 HG2 GLU 6 1HG GLU 6 -15.751 3.514 -7.301 40 HG3 GLU 6 2HG GLU 6 -16.344 4.676 -8.474 41 H GLY 7 H GLY 7 -12.039 3.345 -10.444 42 HA2 GLY 7 1HA GLY 7 -10.594 1.941 -11.731 43 HA3 GLY 7 2HA GLY 7 -11.260 0.508 -10.950 44 H SER 8 H SER 8 -12.413 -0.669 -12.340 45 HA SER 8 HA SER 8 -14.495 0.478 -14.063 46 HB2 SER 8 1HB SER 8 -12.338 0.719 -15.397 47 HB3 SER 8 2HB SER 8 -12.232 -1.046 -15.413 48 HG SER 8 HG SER 8 -14.237 0.635 -16.548 49 H ALA 9 H ALA 9 -12.574 -2.477 -13.402 50 HA ALA 9 HA ALA 9 -15.054 -4.143 -13.522 51 HB1 ALA 9 3HB ALA 9 -13.612 -5.923 -14.403 52 HB2 ALA 9 1HB ALA 9 -13.493 -4.480 -15.421 53 HB3 ALA 9 2HB ALA 9 -12.190 -4.861 -14.276 54 H SER 10 H SER 10 -14.940 -6.148 -12.246 55 HA SER 10 HA SER 10 -13.894 -5.631 -9.507 56 HB2 SER 10 1HB SER 10 -16.302 -6.052 -9.802 57 HB3 SER 10 2HB SER 10 -15.939 -7.656 -10.468 58 HG SER 10 HG SER 10 -16.287 -7.963 -8.308 59 H LEU 11 H LEU 11 -11.756 -6.196 -9.707 60 HA LEU 11 HA LEU 11 -11.105 -9.089 -9.729 61 HB2 LEU 11 1HB LEU 11 -9.679 -6.999 -11.463 62 HB3 LEU 11 2HB LEU 11 -9.057 -8.596 -11.107 63 HG LEU 11 HG LEU 11 -11.339 -9.457 -12.103 64 HD11 LEU 11 1HD1 LEU 11 -12.513 -8.100 -13.501 65 HD12 LEU 11 2HD1 LEU 11 -11.072 -7.245 -14.089 66 HD13 LEU 11 3HD1 LEU 11 -11.811 -6.768 -12.567 67 HD21 LEU 11 3HD2 LEU 11 -10.239 -9.621 -14.310 68 HD22 LEU 11 1HD2 LEU 11 -9.135 -10.011 -12.981 69 HD23 LEU 11 2HD2 LEU 11 -9.024 -8.430 -13.784 70 H GLN 12 H GLN 12 -8.594 -9.220 -9.221 71 HA GLN 12 HA GLN 12 -8.142 -8.183 -6.566 72 HB2 GLN 12 1HB GLN 12 -6.542 -9.699 -8.644 73 HB3 GLN 12 2HB GLN 12 -5.686 -9.024 -7.272 74 HG2 GLN 12 1HG GLN 12 -8.134 -10.795 -6.901 75 HG3 GLN 12 2HG GLN 12 -6.502 -11.445 -7.080 76 HE21 GLN 12 2HE2 GLN 12 -7.301 -12.307 -4.807 77 HE22 GLN 12 1HE2 GLN 12 -6.787 -11.282 -3.470 78 H LEU 13 H LEU 13 -6.276 -6.895 -5.935 79 HA LEU 13 HA LEU 13 -6.256 -4.334 -7.250 80 HB2 LEU 13 1HB LEU 13 -5.940 -5.051 -4.733 81 HB3 LEU 13 2HB LEU 13 -4.254 -5.253 -5.160 82 HG LEU 13 HG LEU 13 -4.780 -3.137 -4.066 83 HD11 LEU 13 1HD1 LEU 13 -3.486 -1.695 -5.312 84 HD12 LEU 13 2HD1 LEU 13 -3.956 -2.385 -6.866 85 HD13 LEU 13 3HD1 LEU 13 -2.890 -3.302 -5.783 86 HD21 LEU 13 3HD2 LEU 13 -6.436 -1.763 -4.558 87 HD22 LEU 13 1HD2 LEU 13 -7.045 -2.993 -5.670 88 HD23 LEU 13 2HD2 LEU 13 -6.027 -1.691 -6.269 89 H ALA 14 H ALA 14 -4.946 -3.511 -8.746 90 HA ALA 14 HA ALA 14 -2.361 -4.815 -9.443 91 HB1 ALA 14 3HB ALA 14 -4.121 -5.666 -10.964 92 HB2 ALA 14 1HB ALA 14 -4.556 -3.999 -11.401 93 HB3 ALA 14 2HB ALA 14 -2.960 -4.648 -11.834 94 H VAL 15 H VAL 15 -1.012 -3.440 -10.843 95 HA VAL 15 HA VAL 15 -0.561 -0.828 -9.832 96 HB VAL 15 HB VAL 15 0.355 -2.020 -12.474 97 HG11 VAL 15 1HG1 VAL 15 1.431 0.361 -10.895 98 HG12 VAL 15 2HG1 VAL 15 2.221 -0.378 -12.298 99 HG13 VAL 15 3HG1 VAL 15 0.667 0.428 -12.500 100 HG21 VAL 15 3HG2 VAL 15 2.449 -2.498 -11.237 101 HG22 VAL 15 1HG2 VAL 15 1.726 -1.874 -9.742 102 HG23 VAL 15 2HG2 VAL 15 1.092 -3.349 -10.501 103 H GLY 16 H GLY 16 -1.135 1.203 -10.428 104 HA2 GLY 16 1HA GLY 16 -2.181 2.917 -11.570 105 HA3 GLY 16 2HA GLY 16 -2.799 1.788 -12.770 106 H ASP 17 H ASP 17 -3.849 0.243 -10.116 107 HA ASP 17 HA ASP 17 -6.510 1.425 -10.195 108 HB2 ASP 17 1HB ASP 17 -5.688 -1.081 -9.821 109 HB3 ASP 17 2HB ASP 17 -5.685 -0.593 -8.131 110 H ARG 18 H ARG 18 -7.597 1.702 -7.930 111 HA ARG 18 HA ARG 18 -6.130 3.961 -6.587 112 HB2 ARG 18 1HB ARG 18 -9.103 3.510 -7.087 113 HB3 ARG 18 2HB ARG 18 -8.418 4.843 -6.159 114 HG2 ARG 18 1HG ARG 18 -7.467 4.496 -9.001 115 HG3 ARG 18 2HG ARG 18 -9.097 5.109 -8.728 116 HD2 ARG 18 1HD ARG 18 -8.268 6.926 -7.344 117 HD3 ARG 18 2HD ARG 18 -6.603 6.316 -7.475 118 HE ARG 18 HE ARG 18 -7.519 6.655 -10.107 119 HH11 ARG 18 1HH1 ARG 18 -7.017 8.842 -7.428 120 HH12 ARG 18 2HH1 ARG 18 -6.648 10.185 -8.473 121 HH21 ARG 18 1HH2 ARG 18 -7.057 8.391 -11.386 122 HH22 ARG 18 2HH2 ARG 18 -6.649 9.916 -10.663 123 H VAL 19 H VAL 19 -6.174 4.159 -4.440 124 HA VAL 19 HA VAL 19 -7.392 2.020 -2.751 125 HB VAL 19 HB VAL 19 -5.276 1.588 -1.666 126 HG11 VAL 19 1HG1 VAL 19 -4.203 0.262 -3.403 127 HG12 VAL 19 2HG1 VAL 19 -5.966 0.198 -3.602 128 HG13 VAL 19 3HG1 VAL 19 -4.970 1.210 -4.675 129 HG21 VAL 19 3HG2 VAL 19 -3.172 2.344 -3.130 130 HG22 VAL 19 1HG2 VAL 19 -4.208 3.702 -3.508 131 HG23 VAL 19 2HG2 VAL 19 -3.821 3.344 -1.811 132 H VAL 20 H VAL 20 -8.318 2.847 -0.993 133 HA VAL 20 HA VAL 20 -7.574 5.531 0.012 134 HB VAL 20 HB VAL 20 -9.940 4.842 -0.424 135 HG11 VAL 20 1HG1 VAL 20 -9.813 3.355 2.237 136 HG12 VAL 20 2HG1 VAL 20 -11.179 3.492 1.110 137 HG13 VAL 20 3HG1 VAL 20 -9.761 2.531 0.675 138 HG21 VAL 20 3HG2 VAL 20 -9.343 6.784 1.017 139 HG22 VAL 20 1HG2 VAL 20 -10.911 6.041 1.362 140 HG23 VAL 20 2HG2 VAL 20 -9.554 5.736 2.444 141 H TYR 21 H TYR 21 -7.464 5.890 2.342 142 HA TYR 21 HA TYR 21 -6.316 3.657 3.910 143 HB2 TYR 21 1HB TYR 21 -5.077 6.313 3.182 144 HB3 TYR 21 2HB TYR 21 -4.617 5.543 4.691 145 HD1 TYR 21 HD2 TYR 21 -4.387 2.784 4.226 146 HD2 TYR 21 HD1 TYR 21 -3.370 5.978 1.530 147 HE1 TYR 21 HE2 TYR 21 -2.668 1.367 3.263 148 HE2 TYR 21 HE1 TYR 21 -1.635 4.544 0.516 149 HH TYR 21 HH TYR 21 -0.542 2.525 0.577 150 HA PRO 22 HA PRO 22 -8.719 5.124 7.221 151 HB2 PRO 22 1HB PRO 22 -7.240 4.494 9.452 152 HB3 PRO 22 2HB PRO 22 -8.010 3.274 8.394 153 HG2 PRO 22 1HG PRO 22 -5.128 4.231 8.314 154 HG3 PRO 22 2HG PRO 22 -5.738 2.545 8.333 155 HD2 PRO 22 1HD PRO 22 -5.051 3.748 6.018 156 HD3 PRO 22 2HD PRO 22 -6.492 2.699 6.098 157 H ASN 23 H ASN 23 -5.415 6.350 7.076 158 HA ASN 23 HA ASN 23 -6.311 9.058 7.794 159 HB2 ASN 23 1HB ASN 23 -5.789 7.922 9.968 160 HB3 ASN 23 2HB ASN 23 -4.141 7.633 9.399 161 HD21 ASN 23 2HD2 ASN 23 -2.933 9.013 10.723 162 HD22 ASN 23 1HD2 ASN 23 -3.286 10.731 10.883 163 H GLN 24 H GLN 24 -5.706 8.505 5.343 164 HA GLN 24 HA GLN 24 -3.243 10.051 4.865 165 HB2 GLN 24 1HB GLN 24 -2.965 7.310 4.650 166 HB3 GLN 24 2HB GLN 24 -3.444 7.731 3.011 167 HG2 GLN 24 1HG GLN 24 -1.123 7.681 2.986 168 HG3 GLN 24 2HG GLN 24 -1.554 9.387 2.945 169 HE21 GLN 24 2HE2 GLN 24 -0.502 6.767 5.226 170 HE22 GLN 24 1HE2 GLN 24 0.320 7.897 6.295 171 H GLY 25 H GLY 25 -5.684 8.182 3.005 172 HA2 GLY 25 1HA GLY 25 -7.501 9.526 1.842 173 HA3 GLY 25 2HA GLY 25 -6.192 10.528 1.214 174 H VAL 26 H VAL 26 -7.234 9.806 -0.840 175 HA VAL 26 HA VAL 26 -6.930 7.080 -1.800 176 HB VAL 26 HB VAL 26 -7.432 9.654 -3.337 177 HG11 VAL 26 1HG1 VAL 26 -7.721 6.726 -4.163 178 HG12 VAL 26 2HG1 VAL 26 -8.402 8.097 -5.065 179 HG13 VAL 26 3HG1 VAL 26 -6.651 7.941 -4.896 180 HG21 VAL 26 3HG2 VAL 26 -9.411 7.509 -2.456 181 HG22 VAL 26 1HG2 VAL 26 -9.211 9.067 -1.629 182 HG23 VAL 26 2HG2 VAL 26 -9.760 9.048 -3.291 183 H CYS 27 H CYS 27 -5.242 6.178 -2.835 184 HA CYS 27 HA CYS 27 -3.012 7.849 -3.927 185 HB2 CYS 27 1HB CYS 27 -2.672 5.144 -2.566 186 HB3 CYS 27 2HB CYS 27 -1.403 6.233 -3.121 187 HG CYS 27 HG CYS 27 -1.124 6.773 -0.793 188 H ARG 28 H ARG 28 -1.570 6.423 -5.385 189 HA ARG 28 HA ARG 28 -3.183 4.696 -7.218 190 HB2 ARG 28 1HB ARG 28 -2.678 7.232 -7.885 191 HB3 ARG 28 2HB ARG 28 -1.071 6.623 -8.221 192 HG2 ARG 28 1HG ARG 28 -2.024 6.376 -10.279 193 HG3 ARG 28 2HG ARG 28 -2.362 4.769 -9.646 194 HD2 ARG 28 1HD ARG 28 -4.651 5.257 -9.264 195 HD3 ARG 28 2HD ARG 28 -4.392 6.999 -9.236 196 HE ARG 28 HE ARG 28 -4.871 5.345 -11.569 197 HH11 ARG 28 1HH1 ARG 28 -3.255 8.322 -10.642 198 HH12 ARG 28 2HH1 ARG 28 -3.357 8.991 -12.243 199 HH21 ARG 28 1HH2 ARG 28 -5.037 6.311 -13.586 200 HH22 ARG 28 2HH2 ARG 28 -4.351 7.887 -13.847 201 H VAL 29 H VAL 29 -2.301 2.759 -7.388 202 HA VAL 29 HA VAL 29 0.280 2.047 -6.303 203 HB VAL 29 HB VAL 29 -1.462 0.458 -8.195 204 HG11 VAL 29 1HG1 VAL 29 0.701 -0.464 -6.240 205 HG12 VAL 29 2HG1 VAL 29 -0.342 -1.511 -7.231 206 HG13 VAL 29 3HG1 VAL 29 0.849 -0.465 -8.006 207 HG21 VAL 29 3HG2 VAL 29 -2.001 1.274 -5.490 208 HG22 VAL 29 1HG2 VAL 29 -2.886 0.143 -6.519 209 HG23 VAL 29 2HG2 VAL 29 -1.585 -0.431 -5.444 210 H SER 30 H SER 30 2.265 2.071 -7.107 211 HA SER 30 HA SER 30 2.611 2.683 -10.017 212 HB2 SER 30 1HB SER 30 4.202 4.215 -9.559 213 HB3 SER 30 2HB SER 30 3.236 4.367 -8.091 214 HG SER 30 HG SER 30 5.765 3.184 -8.456 215 H ALA 31 H ALA 31 3.996 0.819 -7.321 216 HA ALA 31 HA ALA 31 4.734 -1.378 -9.107 217 HB1 ALA 31 3HB ALA 31 6.801 -0.325 -9.378 218 HB2 ALA 31 1HB ALA 31 6.763 0.446 -7.781 219 HB3 ALA 31 2HB ALA 31 7.126 -1.287 -7.929 220 H ILE 32 H ILE 32 5.569 -3.256 -7.768 221 HA ILE 32 HA ILE 32 4.891 -3.240 -4.896 222 HB ILE 32 HB ILE 32 3.592 -5.219 -6.821 223 HG12 ILE 32 1HG1 ILE 32 2.212 -3.018 -5.212 224 HG13 ILE 32 2HG1 ILE 32 2.427 -3.027 -6.961 225 HG21 ILE 32 1HG2 ILE 32 3.492 -4.912 -3.787 226 HG22 ILE 32 2HG2 ILE 32 2.419 -5.985 -4.704 227 HG23 ILE 32 3HG2 ILE 32 4.147 -6.270 -4.724 228 HD11 ILE 32 3HD1 ILE 32 0.529 -4.652 -5.330 229 HD12 ILE 32 1HD1 ILE 32 0.290 -3.790 -6.865 230 HD13 ILE 32 2HD1 ILE 32 1.150 -5.335 -6.852 231 H ASP 33 H ASP 33 6.252 -4.644 -3.761 232 HA ASP 33 HA ASP 33 7.667 -6.782 -5.187 233 HB2 ASP 33 1HB ASP 33 8.943 -4.341 -5.103 234 HB3 ASP 33 2HB ASP 33 9.465 -5.013 -3.568 235 H VAL 34 H VAL 34 9.155 -8.022 -3.545 236 HA VAL 34 HA VAL 34 7.799 -8.110 -0.876 237 HB VAL 34 HB VAL 34 8.114 -10.418 -0.697 238 HG11 VAL 34 1HG1 VAL 34 7.129 -10.320 -3.547 239 HG12 VAL 34 2HG1 VAL 34 6.490 -11.197 -2.138 240 HG13 VAL 34 3HG1 VAL 34 6.238 -9.458 -2.303 241 HG21 VAL 34 3HG2 VAL 34 9.547 -10.420 -3.384 242 HG22 VAL 34 1HG2 VAL 34 10.255 -10.816 -1.801 243 HG23 VAL 34 2HG2 VAL 34 9.016 -11.866 -2.497 244 H LYS 35 H LYS 35 9.009 -8.350 0.980 245 HA LYS 35 HA LYS 35 11.892 -8.670 0.916 246 HB2 LYS 35 1HB LYS 35 12.415 -6.496 2.043 247 HB3 LYS 35 2HB LYS 35 11.936 -6.319 0.364 248 HG2 LYS 35 1HG LYS 35 9.791 -5.481 0.926 249 HG3 LYS 35 2HG LYS 35 9.930 -5.982 2.613 250 HD2 LYS 35 1HD LYS 35 11.999 -4.022 1.672 251 HD3 LYS 35 2HD LYS 35 10.323 -3.449 1.718 252 HE2 LYS 35 1HE LYS 35 10.123 -4.325 4.059 253 HE3 LYS 35 2HE LYS 35 11.856 -4.675 4.057 254 HZ1 LYS 35 3HZ LYS 35 10.951 -1.951 3.378 255 HZ2 LYS 35 1HZ LYS 35 12.349 -2.412 4.087 256 HZ3 LYS 35 2HZ LYS 35 10.960 -2.391 4.944 257 H GLU 36 H GLU 36 12.813 -8.349 3.151 258 HA GLU 36 HA GLU 36 10.962 -9.400 5.256 259 HB2 GLU 36 1HB GLU 36 13.442 -10.460 4.321 260 HB3 GLU 36 2HB GLU 36 13.803 -9.698 5.860 261 HG2 GLU 36 1HG GLU 36 11.470 -11.071 6.467 262 HG3 GLU 36 2HG GLU 36 12.202 -12.086 5.221 263 H VAL 37 H VAL 37 10.382 -7.940 6.687 264 HA VAL 37 HA VAL 37 12.403 -5.969 7.700 265 HB VAL 37 HB VAL 37 10.727 -4.882 6.200 266 HG11 VAL 37 1HG1 VAL 37 8.692 -5.382 8.400 267 HG12 VAL 37 2HG1 VAL 37 8.455 -4.549 6.853 268 HG13 VAL 37 3HG1 VAL 37 8.763 -6.299 6.886 269 HG21 VAL 37 3HG2 VAL 37 10.640 -3.982 9.104 270 HG22 VAL 37 1HG2 VAL 37 11.902 -3.585 7.914 271 HG23 VAL 37 2HG2 VAL 37 10.245 -2.996 7.687 272 H ALA 38 H ALA 38 12.498 -5.790 9.911 273 HA ALA 38 HA ALA 38 12.421 -6.600 12.046 274 HB1 ALA 38 3HB ALA 38 10.241 -6.220 13.118 275 HB2 ALA 38 1HB ALA 38 10.620 -4.940 11.954 276 HB3 ALA 38 2HB ALA 38 9.449 -6.208 11.528 277 H GLY 39 H GLY 39 12.506 -8.773 10.092 278 HA2 GLY 39 1HA GLY 39 12.655 -11.080 10.242 279 HA3 GLY 39 2HA GLY 39 11.840 -11.051 11.803 280 H GLN 40 H GLN 40 10.305 -9.558 8.970 281 HA GLN 40 HA GLN 40 8.411 -11.843 8.675 282 HB2 GLN 40 1HB GLN 40 7.910 -9.099 9.678 283 HB3 GLN 40 2HB GLN 40 6.867 -9.546 8.325 284 HG2 GLN 40 1HG GLN 40 6.178 -11.593 9.450 285 HG3 GLN 40 2HG GLN 40 7.251 -11.248 10.817 286 HE21 GLN 40 2HE2 GLN 40 4.187 -11.514 10.625 287 HE22 GLN 40 1HE2 GLN 40 3.650 -10.045 11.423 288 H LYS 41 H LYS 41 8.518 -12.551 6.711 289 HA LYS 41 HA LYS 41 9.298 -10.787 4.463 290 HB2 LYS 41 1HB LYS 41 10.369 -13.127 4.996 291 HB3 LYS 41 2HB LYS 41 8.928 -13.782 4.246 292 HG2 LYS 41 1HG LYS 41 9.342 -12.375 2.214 293 HG3 LYS 41 2HG LYS 41 10.812 -11.732 2.962 294 HD2 LYS 41 1HD LYS 41 11.900 -13.872 2.901 295 HD3 LYS 41 2HD LYS 41 10.388 -14.703 2.466 296 HE2 LYS 41 1HE LYS 41 10.299 -13.438 0.332 297 HE3 LYS 41 2HE LYS 41 11.814 -12.622 0.743 298 HZ1 LYS 41 3HZ LYS 41 11.506 -15.556 0.353 299 HZ2 LYS 41 1HZ LYS 41 12.909 -14.804 0.728 300 HZ3 LYS 41 2HZ LYS 41 12.195 -14.532 -0.714 301 H LEU 42 H LEU 42 7.747 -9.870 3.269 302 HA LEU 42 HA LEU 42 5.476 -11.406 2.306 303 HB2 LEU 42 1HB LEU 42 3.703 -10.431 3.479 304 HB3 LEU 42 2HB LEU 42 4.871 -10.782 4.711 305 HG LEU 42 HG LEU 42 5.557 -8.193 3.964 306 HD11 LEU 42 1HD1 LEU 42 3.234 -8.394 2.715 307 HD12 LEU 42 2HD1 LEU 42 3.727 -6.950 3.578 308 HD13 LEU 42 3HD1 LEU 42 2.580 -8.121 4.327 309 HD21 LEU 42 3HD2 LEU 42 5.499 -8.973 6.270 310 HD22 LEU 42 1HD2 LEU 42 3.724 -9.085 6.220 311 HD23 LEU 42 2HD2 LEU 42 4.529 -7.504 6.106 312 H THR 43 H THR 43 3.924 -9.909 1.051 313 HA THR 43 HA THR 43 5.500 -8.251 -0.778 314 HB THR 43 HB THR 43 2.489 -8.684 -0.819 315 HG1 THR 43 HG1 THR 43 3.189 -10.690 -1.083 316 HG21 THR 43 3HG2 THR 43 3.262 -6.885 -2.271 317 HG22 THR 43 1HG2 THR 43 2.863 -8.294 -3.266 318 HG23 THR 43 2HG2 THR 43 4.559 -7.910 -2.928 319 H PHE 44 H PHE 44 5.906 -6.172 -0.510 320 HA PHE 44 HA PHE 44 4.010 -4.473 1.067 321 HB2 PHE 44 1HB PHE 44 6.977 -4.091 0.574 322 HB3 PHE 44 2HB PHE 44 5.894 -2.957 1.368 323 HD1 PHE 44 HD1 PHE 44 5.067 -3.284 3.636 324 HD2 PHE 44 HD2 PHE 44 7.646 -6.189 1.747 325 HE1 PHE 44 HE1 PHE 44 5.412 -4.431 5.839 326 HE2 PHE 44 HE2 PHE 44 7.975 -7.302 3.940 327 HZ PHE 44 HZ PHE 44 6.783 -6.488 5.937 328 H VAL 45 H VAL 45 2.763 -3.258 -0.138 329 HA VAL 45 HA VAL 45 3.149 -2.840 -3.009 330 HB VAL 45 HB VAL 45 1.206 -1.285 -2.771 331 HG11 VAL 45 1HG1 VAL 45 -0.171 -3.429 -1.598 332 HG12 VAL 45 2HG1 VAL 45 0.213 -3.206 -3.332 333 HG13 VAL 45 3HG1 VAL 45 1.260 -4.176 -2.293 334 HG21 VAL 45 3HG2 VAL 45 0.994 -2.271 0.097 335 HG22 VAL 45 1HG2 VAL 45 1.589 -0.649 -0.337 336 HG23 VAL 45 2HG2 VAL 45 -0.054 -1.140 -0.742 337 H THR 46 H THR 46 3.714 -0.912 -4.130 338 HA THR 46 HA THR 46 4.869 1.267 -2.435 339 HB THR 46 HB THR 46 5.962 0.434 -5.147 340 HG1 THR 46 HG1 THR 46 6.327 -1.162 -3.522 341 HG21 THR 46 3HG2 THR 46 6.410 2.773 -4.512 342 HG22 THR 46 1HG2 THR 46 7.892 1.810 -4.389 343 HG23 THR 46 2HG2 THR 46 7.000 2.241 -2.915 344 H MET 47 H MET 47 3.517 2.906 -2.545 345 HA MET 47 HA MET 47 2.512 3.751 -5.234 346 HB2 MET 47 1HB MET 47 0.910 4.160 -2.701 347 HB3 MET 47 2HB MET 47 0.408 4.348 -4.360 348 HG2 MET 47 1HG MET 47 -0.579 2.359 -3.980 349 HG3 MET 47 2HG MET 47 0.999 1.711 -4.420 350 HE1 MET 47 3HE MET 47 -1.628 2.232 -1.586 351 HE2 MET 47 1HE MET 47 -1.639 0.749 -2.586 352 HE3 MET 47 2HE MET 47 -1.303 0.659 -0.847 353 H ARG 48 H ARG 48 1.959 5.986 -5.364 354 HA ARG 48 HA ARG 48 3.261 7.846 -3.465 355 HB2 ARG 48 1HB ARG 48 4.606 8.922 -5.191 356 HB3 ARG 48 2HB ARG 48 5.058 7.238 -4.946 357 HG2 ARG 48 1HG ARG 48 3.602 6.696 -7.024 358 HG3 ARG 48 2HG ARG 48 3.567 8.440 -7.297 359 HD2 ARG 48 1HD ARG 48 6.297 7.824 -6.838 360 HD3 ARG 48 2HD ARG 48 5.685 6.463 -7.788 361 HE ARG 48 HE ARG 48 4.879 9.056 -8.863 362 HH11 ARG 48 1HH1 ARG 48 7.570 6.830 -8.893 363 HH12 ARG 48 2HH1 ARG 48 8.225 7.497 -10.365 364 HH21 ARG 48 1HH2 ARG 48 5.756 9.876 -10.711 365 HH22 ARG 48 2HH2 ARG 48 7.213 9.187 -11.361 366 H ARG 49 H ARG 49 1.904 9.324 -2.999 367 HA ARG 49 HA ARG 49 -0.625 9.771 -4.359 368 HB2 ARG 49 1HB ARG 49 0.885 11.173 -2.132 369 HB3 ARG 49 2HB ARG 49 -0.643 11.816 -2.759 370 HG2 ARG 49 1HG ARG 49 -1.911 10.213 -1.799 371 HG3 ARG 49 2HG ARG 49 -0.780 8.934 -2.205 372 HD2 ARG 49 1HD ARG 49 -0.778 8.908 0.127 373 HD3 ARG 49 2HD ARG 49 0.712 9.725 -0.304 374 HE ARG 49 HE ARG 49 -0.067 11.590 0.875 375 HH11 ARG 49 1HH1 ARG 49 -2.983 9.808 -0.021 376 HH12 ARG 49 2HH1 ARG 49 -3.910 10.779 1.116 377 HH21 ARG 49 1HH2 ARG 49 -1.312 12.685 2.159 378 HH22 ARG 49 2HH2 ARG 49 -3.010 12.235 2.400 379 H GLU 50 H GLU 50 -0.836 10.671 -6.238 380 HA GLU 50 HA GLU 50 1.062 12.311 -7.550 381 HB2 GLU 50 1HB GLU 50 -0.590 12.597 -9.266 382 HB3 GLU 50 2HB GLU 50 -0.636 10.967 -8.650 383 HG2 GLU 50 1HG GLU 50 -2.859 11.333 -8.806 384 HG3 GLU 50 2HG GLU 50 -2.615 11.790 -7.132 385 H GLU 51 H GLU 51 -1.676 13.277 -5.514 386 HA GLU 51 HA GLU 51 -1.145 16.145 -5.991 387 HB2 GLU 51 1HB GLU 51 -3.437 15.252 -5.934 388 HB3 GLU 51 2HB GLU 51 -3.246 14.817 -4.233 389 HG2 GLU 51 1HG GLU 51 -3.230 17.044 -3.522 390 HG3 GLU 51 2HG GLU 51 -2.633 17.658 -5.063 391 H ASP 52 H ASP 52 -1.048 13.930 -3.159 392 HA ASP 52 HA ASP 52 -0.055 15.959 -1.362 393 HB2 ASP 52 1HB ASP 52 -1.276 13.628 -0.939 394 HB3 ASP 52 2HB ASP 52 0.378 13.022 -0.899 395 H GLY 53 H GLY 53 1.558 13.962 -3.687 396 HA2 GLY 53 1HA GLY 53 3.717 13.806 -4.394 397 HA3 GLY 53 2HA GLY 53 4.152 15.137 -3.323 398 H ALA 54 H ALA 54 2.711 12.546 -1.642 399 HA ALA 54 HA ALA 54 5.333 11.800 -0.451 400 HB1 ALA 54 3HB ALA 54 3.978 11.212 1.518 401 HB2 ALA 54 1HB ALA 54 3.665 12.882 1.006 402 HB3 ALA 54 2HB ALA 54 2.490 11.601 0.630 403 H VAL 55 H VAL 55 6.033 9.747 -0.287 404 HA VAL 55 HA VAL 55 4.690 7.634 -1.850 405 HB VAL 55 HB VAL 55 6.596 6.244 -1.400 406 HG11 VAL 55 1HG1 VAL 55 7.545 9.037 -2.152 407 HG12 VAL 55 2HG1 VAL 55 8.284 7.489 -2.603 408 HG13 VAL 55 3HG1 VAL 55 6.689 7.922 -3.237 409 HG21 VAL 55 3HG2 VAL 55 7.668 8.483 0.373 410 HG22 VAL 55 1HG2 VAL 55 7.226 6.836 0.876 411 HG23 VAL 55 2HG2 VAL 55 8.602 7.087 -0.200 412 H VAL 56 H VAL 56 4.033 5.636 -1.013 413 HA VAL 56 HA VAL 56 3.816 5.307 1.913 414 HB VAL 56 HB VAL 56 1.798 6.552 1.261 415 HG11 VAL 56 1HG1 VAL 56 0.934 4.126 -0.341 416 HG12 VAL 56 2HG1 VAL 56 0.091 5.676 -0.123 417 HG13 VAL 56 3HG1 VAL 56 1.575 5.623 -1.064 418 HG21 VAL 56 3HG2 VAL 56 0.179 5.158 2.385 419 HG22 VAL 56 1HG2 VAL 56 1.150 3.701 2.101 420 HG23 VAL 56 2HG2 VAL 56 1.750 4.987 3.174 421 H MET 57 H MET 57 3.877 3.264 2.558 422 HA MET 57 HA MET 57 3.623 1.048 0.652 423 HB2 MET 57 1HB MET 57 5.928 1.601 0.362 424 HB3 MET 57 2HB MET 57 6.213 1.737 2.103 425 HG2 MET 57 1HG MET 57 6.296 -0.547 2.416 426 HG3 MET 57 2HG MET 57 5.158 -0.875 1.126 427 HE1 MET 57 3HE MET 57 8.835 -0.314 2.132 428 HE2 MET 57 1HE MET 57 9.719 -0.377 0.589 429 HE3 MET 57 2HE MET 57 8.741 1.053 0.990 430 H VAL 58 H VAL 58 2.313 -0.333 1.562 431 HA VAL 58 HA VAL 58 2.493 -0.857 4.487 432 HB VAL 58 HB VAL 58 0.089 -1.303 4.583 433 HG11 VAL 58 1HG1 VAL 58 0.857 0.891 5.247 434 HG12 VAL 58 2HG1 VAL 58 0.741 1.483 3.572 435 HG13 VAL 58 3HG1 VAL 58 -0.718 1.010 4.455 436 HG21 VAL 58 3HG2 VAL 58 -0.035 -0.318 1.725 437 HG22 VAL 58 1HG2 VAL 58 -0.397 -1.962 2.308 438 HG23 VAL 58 2HG2 VAL 58 -1.426 -0.608 2.781 439 HA PRO 59 HA PRO 59 2.923 -5.067 3.314 440 HB2 PRO 59 1HB PRO 59 2.014 -6.364 5.563 441 HB3 PRO 59 2HB PRO 59 3.541 -5.477 5.518 442 HG2 PRO 59 1HG PRO 59 0.858 -4.501 6.515 443 HG3 PRO 59 2HG PRO 59 2.462 -4.366 7.324 444 HD2 PRO 59 1HD PRO 59 1.413 -2.325 5.938 445 HD3 PRO 59 2HD PRO 59 3.157 -2.694 5.821 446 H GLU 60 H GLU 60 1.646 -6.091 1.763 447 HA GLU 60 HA GLU 60 -1.198 -5.958 1.685 448 HB2 GLU 60 1HB GLU 60 0.645 -7.967 0.339 449 HB3 GLU 60 2HB GLU 60 -1.089 -7.808 0.043 450 HG2 GLU 60 1HG GLU 60 -0.555 -5.290 -0.389 451 HG3 GLU 60 2HG GLU 60 1.099 -5.846 -0.637 452 H GLY 61 H GLY 61 0.867 -8.544 2.994 453 HA2 GLY 61 1HA GLY 61 -1.467 -10.219 3.786 454 HA3 GLY 61 2HA GLY 61 0.242 -10.655 3.914 455 H LYS 62 H LYS 62 -0.252 -7.586 5.157 456 HA LYS 62 HA LYS 62 -0.839 -8.500 7.947 457 HB2 LYS 62 1HB LYS 62 1.715 -8.094 7.108 458 HB3 LYS 62 2HB LYS 62 1.239 -6.455 7.563 459 HG2 LYS 62 1HG LYS 62 0.785 -7.158 9.837 460 HG3 LYS 62 2HG LYS 62 1.318 -8.809 9.433 461 HD2 LYS 62 1HD LYS 62 3.561 -8.145 9.085 462 HD3 LYS 62 2HD LYS 62 3.142 -6.481 8.692 463 HE2 LYS 62 1HE LYS 62 2.365 -6.240 11.144 464 HE3 LYS 62 2HE LYS 62 3.208 -7.766 11.445 465 HZ1 LYS 62 3HZ LYS 62 5.240 -6.749 10.624 466 HZ2 LYS 62 1HZ LYS 62 4.651 -5.860 11.855 467 HZ3 LYS 62 2HZ LYS 62 4.472 -5.318 10.325 468 H VAL 63 H VAL 63 -1.754 -6.380 5.503 469 HA VAL 63 HA VAL 63 -2.354 -3.957 6.629 470 HB VAL 63 HB VAL 63 -4.466 -3.970 5.336 471 HG11 VAL 63 1HG1 VAL 63 -3.501 -3.682 3.254 472 HG12 VAL 63 2HG1 VAL 63 -2.161 -3.383 4.390 473 HG13 VAL 63 3HG1 VAL 63 -2.282 -4.922 3.514 474 HG21 VAL 63 3HG2 VAL 63 -3.958 -6.371 3.751 475 HG22 VAL 63 1HG2 VAL 63 -4.404 -6.755 5.408 476 HG23 VAL 63 2HG2 VAL 63 -5.458 -5.725 4.426 477 H LEU 64 H LEU 64 -3.917 -6.950 7.421 478 HA LEU 64 HA LEU 64 -6.186 -6.096 8.840 479 HB2 LEU 64 1HB LEU 64 -4.458 -8.491 9.567 480 HB3 LEU 64 2HB LEU 64 -6.182 -8.286 9.831 481 HG LEU 64 HG LEU 64 -4.755 -8.810 7.173 482 HD11 LEU 64 1HD1 LEU 64 -6.853 -10.357 8.761 483 HD12 LEU 64 2HD1 LEU 64 -5.123 -10.748 8.655 484 HD13 LEU 64 3HD1 LEU 64 -6.139 -10.846 7.209 485 HD21 LEU 64 3HD2 LEU 64 -6.585 -7.255 6.669 486 HD22 LEU 64 1HD2 LEU 64 -7.708 -8.192 7.678 487 HD23 LEU 64 2HD2 LEU 64 -7.054 -8.885 6.177 488 H ALA 65 H ALA 65 -2.814 -6.100 9.860 489 HA ALA 65 HA ALA 65 -3.299 -5.624 12.693 490 HB1 ALA 65 3HB ALA 65 -0.875 -5.351 12.783 491 HB2 ALA 65 1HB ALA 65 -1.276 -6.781 11.813 492 HB3 ALA 65 2HB ALA 65 -0.771 -5.275 11.016 493 H ILE 66 H ILE 66 -2.203 -3.571 9.948 494 HA ILE 66 HA ILE 66 -2.179 -1.108 11.485 495 HB ILE 66 HB ILE 66 -2.342 -1.398 8.449 496 HG12 ILE 66 1HG1 ILE 66 0.262 -0.696 8.944 497 HG13 ILE 66 2HG1 ILE 66 -0.031 -1.659 10.382 498 HG21 ILE 66 1HG2 ILE 66 -1.277 0.868 8.480 499 HG22 ILE 66 2HG2 ILE 66 -2.841 0.912 9.285 500 HG23 ILE 66 3HG2 ILE 66 -1.356 0.884 10.251 501 HD11 ILE 66 3HD1 ILE 66 -0.641 -3.583 8.923 502 HD12 ILE 66 1HD1 ILE 66 -0.437 -2.555 7.484 503 HD13 ILE 66 2HD1 ILE 66 0.955 -2.934 8.527 504 H GLY 67 H GLY 67 -4.650 -2.785 9.629 505 HA2 GLY 67 1HA GLY 67 -6.990 -2.530 9.828 506 HA3 GLY 67 2HA GLY 67 -6.785 -0.941 10.566 507 H VAL 68 H VAL 68 -4.852 -1.384 7.754 508 HA VAL 68 HA VAL 68 -6.456 0.565 6.244 509 HB VAL 68 HB VAL 68 -4.696 0.599 4.631 510 HG11 VAL 68 1HG1 VAL 68 -3.558 1.974 6.016 511 HG12 VAL 68 2HG1 VAL 68 -4.144 1.124 7.436 512 HG13 VAL 68 3HG1 VAL 68 -2.663 0.602 6.623 513 HG21 VAL 68 3HG2 VAL 68 -4.087 -1.680 4.367 514 HG22 VAL 68 1HG2 VAL 68 -2.642 -0.789 4.830 515 HG23 VAL 68 2HG2 VAL 68 -3.474 -1.785 6.041 516 H ARG 69 H ARG 69 -7.242 0.208 4.092 517 HA ARG 69 HA ARG 69 -7.540 -2.597 3.153 518 HB2 ARG 69 1HB ARG 69 -9.792 -0.764 3.982 519 HB3 ARG 69 2HB ARG 69 -10.037 -1.736 2.542 520 HG2 ARG 69 1HG ARG 69 -9.281 -2.894 5.261 521 HG3 ARG 69 2HG ARG 69 -10.904 -2.806 4.585 522 HD2 ARG 69 1HD ARG 69 -9.551 -4.032 2.501 523 HD3 ARG 69 2HD ARG 69 -8.638 -4.620 3.883 524 HE ARG 69 HE ARG 69 -10.412 -5.999 4.427 525 HH11 ARG 69 1HH1 ARG 69 -11.750 -3.512 2.364 526 HH12 ARG 69 2HH1 ARG 69 -13.273 -4.339 2.191 527 HH21 ARG 69 1HH2 ARG 69 -12.384 -6.993 4.187 528 HH22 ARG 69 2HH2 ARG 69 -13.614 -6.249 3.210 529 H LYS 70 H LYS 70 -6.534 -2.557 1.356 530 HA LYS 70 HA LYS 70 -7.173 -0.492 -0.733 531 HB2 LYS 70 1HB LYS 70 -4.833 -0.792 -1.512 532 HB3 LYS 70 2HB LYS 70 -5.002 0.044 0.021 533 HG2 LYS 70 1HG LYS 70 -3.650 -1.340 1.065 534 HG3 LYS 70 2HG LYS 70 -4.554 -2.763 0.588 535 HD2 LYS 70 1HD LYS 70 -2.792 -1.561 -1.535 536 HD3 LYS 70 2HD LYS 70 -1.981 -2.254 -0.133 537 HE2 LYS 70 1HE LYS 70 -2.531 -4.384 -0.586 538 HE3 LYS 70 2HE LYS 70 -4.132 -3.999 -1.168 539 HZ1 LYS 70 3HZ LYS 70 -3.414 -3.875 -3.275 540 HZ2 LYS 70 1HZ LYS 70 -2.182 -4.793 -2.743 541 HZ3 LYS 70 2HZ LYS 70 -1.970 -3.167 -2.927 542 H VAL 71 H VAL 71 -8.454 -1.474 -2.083 543 HA VAL 71 HA VAL 71 -7.701 -3.836 -3.617 544 HB VAL 71 HB VAL 71 -10.368 -4.038 -2.171 545 HG11 VAL 71 1HG1 VAL 71 -8.629 -6.017 -3.711 546 HG12 VAL 71 2HG1 VAL 71 -10.079 -6.476 -2.801 547 HG13 VAL 71 3HG1 VAL 71 -10.237 -5.408 -4.177 548 HG21 VAL 71 3HG2 VAL 71 -8.735 -4.249 -0.345 549 HG22 VAL 71 1HG2 VAL 71 -9.495 -5.790 -0.704 550 HG23 VAL 71 2HG2 VAL 71 -7.847 -5.484 -1.280 551 H ALA 72 H ALA 72 -9.203 -4.034 -5.514 552 HA ALA 72 HA ALA 72 -10.056 -1.618 -6.636 553 HB1 ALA 72 3HB ALA 72 -11.082 -4.418 -7.253 554 HB2 ALA 72 1HB ALA 72 -11.072 -3.021 -8.347 555 HB3 ALA 72 2HB ALA 72 -9.539 -3.748 -7.836 556 H SER 73 H SER 73 -11.925 -3.831 -4.602 557 HA SER 73 HA SER 73 -14.384 -2.188 -4.858 558 HB2 SER 73 1HB SER 73 -13.895 -4.943 -4.364 559 HB3 SER 73 2HB SER 73 -14.606 -4.301 -2.880 560 HG SER 73 HG SER 73 -16.303 -3.413 -4.183 561 H ALA 74 H ALA 74 -11.783 -2.615 -2.528 562 HA ALA 74 HA ALA 74 -13.095 -1.437 -0.203 563 HB1 ALA 74 3HB ALA 74 -10.688 -1.063 0.486 564 HB2 ALA 74 1HB ALA 74 -11.159 -2.756 0.195 565 HB3 ALA 74 2HB ALA 74 -10.214 -1.853 -1.011 566 H GLU 75 H GLU 75 -11.738 -0.218 -3.109 567 HA GLU 75 HA GLU 75 -11.357 1.780 -4.075 568 HB2 GLU 75 1HB GLU 75 -13.404 2.620 -2.019 569 HB3 GLU 75 2HB GLU 75 -12.525 3.864 -2.868 570 HG2 GLU 75 1HG GLU 75 -13.311 3.128 -5.005 571 HG3 GLU 75 2HG GLU 75 -13.885 1.599 -4.361 Start of MODEL 14 1 H1 ALA 1 1H ALA 1 -12.622 19.885 -8.041 2 H2 ALA 1 2H ALA 1 -11.591 18.946 -7.187 3 H3 ALA 1 3H ALA 1 -12.931 18.289 -7.869 4 HA ALA 1 HA ALA 1 -12.934 20.331 -5.754 5 HB1 ALA 1 3HB ALA 1 -14.938 20.411 -7.221 6 HB2 ALA 1 1HB ALA 1 -15.307 18.724 -6.803 7 HB3 ALA 1 2HB ALA 1 -15.322 19.980 -5.547 8 H GLY 2 H GLY 2 -14.094 16.902 -6.143 9 HA2 GLY 2 1HA GLY 2 -12.392 15.925 -3.987 10 HA3 GLY 2 2HA GLY 2 -14.068 16.156 -3.491 11 H HIS 3 H HIS 3 -11.865 14.215 -5.322 12 HA HIS 3 HA HIS 3 -14.008 12.388 -6.311 13 HB2 HIS 3 1HB HIS 3 -11.433 13.200 -7.372 14 HB3 HIS 3 2HB HIS 3 -11.406 11.471 -7.100 15 HD1 HIS 3 HD1 HIS 3 -12.278 13.728 -9.767 16 HD2 HIS 3 HD2 HIS 3 -13.945 10.232 -8.057 17 HE1 HIS 3 HE1 HIS 3 -13.858 12.722 -11.539 18 HE2 HIS 3 HE2 HIS 3 -14.877 10.597 -10.474 19 H MET 4 H MET 4 -14.596 10.775 -5.066 20 HA MET 4 HA MET 4 -12.809 9.657 -2.971 21 HB2 MET 4 1HB MET 4 -15.766 9.371 -3.657 22 HB3 MET 4 2HB MET 4 -14.980 8.186 -2.644 23 HG2 MET 4 1HG MET 4 -15.667 9.528 -0.994 24 HG3 MET 4 2HG MET 4 -14.129 10.316 -1.287 25 HE1 MET 4 3HE MET 4 -15.013 13.828 -2.203 26 HE2 MET 4 1HE MET 4 -14.422 12.962 -0.769 27 HE3 MET 4 2HE MET 4 -13.796 12.542 -2.382 28 HA PRO 5 HA PRO 5 -11.749 5.968 -5.278 29 HB2 PRO 5 1HB PRO 5 -11.787 3.989 -3.380 30 HB3 PRO 5 2HB PRO 5 -10.549 5.282 -3.412 31 HG2 PRO 5 1HG PRO 5 -13.117 5.222 -1.774 32 HG3 PRO 5 2HG PRO 5 -11.464 5.571 -1.216 33 HD2 PRO 5 1HD PRO 5 -13.107 7.571 -1.752 34 HD3 PRO 5 2HD PRO 5 -11.395 7.664 -2.250 35 H GLU 6 H GLU 6 -13.155 5.224 -6.746 36 HA GLU 6 HA GLU 6 -15.453 3.564 -5.938 37 HB2 GLU 6 1HB GLU 6 -17.055 4.731 -7.268 38 HB3 GLU 6 2HB GLU 6 -16.330 5.861 -6.124 39 HG2 GLU 6 1HG GLU 6 -14.729 6.501 -8.094 40 HG3 GLU 6 2HG GLU 6 -15.894 5.665 -9.121 41 H GLY 7 H GLY 7 -16.245 2.199 -7.623 42 HA2 GLY 7 1HA GLY 7 -15.872 1.679 -10.161 43 HA3 GLY 7 2HA GLY 7 -14.193 1.466 -9.657 44 H SER 8 H SER 8 -15.252 -0.619 -10.832 45 HA SER 8 HA SER 8 -15.270 -2.668 -8.705 46 HB2 SER 8 1HB SER 8 -17.707 -1.774 -9.421 47 HB3 SER 8 2HB SER 8 -17.498 -2.971 -10.700 48 HG SER 8 HG SER 8 -17.070 -4.525 -9.020 49 H ALA 9 H ALA 9 -13.617 -1.842 -11.144 50 HA ALA 9 HA ALA 9 -13.845 -3.558 -13.325 51 HB1 ALA 9 3HB ALA 9 -11.386 -2.226 -12.112 52 HB2 ALA 9 1HB ALA 9 -11.452 -2.945 -13.732 53 HB3 ALA 9 2HB ALA 9 -12.481 -1.554 -13.342 54 H SER 10 H SER 10 -11.571 -4.045 -10.602 55 HA SER 10 HA SER 10 -11.671 -7.002 -10.979 56 HB2 SER 10 1HB SER 10 -9.098 -5.442 -10.519 57 HB3 SER 10 2HB SER 10 -9.266 -7.196 -10.700 58 HG SER 10 HG SER 10 -8.577 -6.102 -12.636 59 H LEU 11 H LEU 11 -10.711 -8.151 -9.088 60 HA LEU 11 HA LEU 11 -11.727 -6.945 -6.559 61 HB2 LEU 11 1HB LEU 11 -11.196 -9.779 -7.512 62 HB3 LEU 11 2HB LEU 11 -11.353 -9.397 -5.802 63 HG LEU 11 HG LEU 11 -13.612 -8.476 -6.156 64 HD11 LEU 11 1HD1 LEU 11 -13.613 -7.786 -8.487 65 HD12 LEU 11 2HD1 LEU 11 -14.824 -9.045 -8.277 66 HD13 LEU 11 3HD1 LEU 11 -13.263 -9.448 -9.028 67 HD21 LEU 11 3HD2 LEU 11 -13.251 -10.834 -5.520 68 HD22 LEU 11 1HD2 LEU 11 -13.197 -11.297 -7.236 69 HD23 LEU 11 2HD2 LEU 11 -14.697 -10.656 -6.525 70 H GLN 12 H GLN 12 -8.924 -8.982 -7.477 71 HA GLN 12 HA GLN 12 -7.345 -8.343 -5.165 72 HB2 GLN 12 1HB GLN 12 -7.089 -9.949 -7.608 73 HB3 GLN 12 2HB GLN 12 -5.599 -9.061 -7.307 74 HG2 GLN 12 1HG GLN 12 -5.531 -9.931 -4.987 75 HG3 GLN 12 2HG GLN 12 -6.999 -10.872 -5.298 76 HE21 GLN 12 2HE2 GLN 12 -4.265 -11.877 -4.551 77 HE22 GLN 12 1HE2 GLN 12 -3.828 -12.934 -5.891 78 H LEU 13 H LEU 13 -5.450 -7.117 -4.991 79 HA LEU 13 HA LEU 13 -5.437 -4.558 -6.426 80 HB2 LEU 13 1HB LEU 13 -5.070 -4.865 -3.921 81 HB3 LEU 13 2HB LEU 13 -3.554 -5.669 -4.312 82 HG LEU 13 HG LEU 13 -2.942 -3.448 -5.583 83 HD11 LEU 13 1HD1 LEU 13 -5.241 -2.480 -3.858 84 HD12 LEU 13 2HD1 LEU 13 -5.165 -2.437 -5.615 85 HD13 LEU 13 3HD1 LEU 13 -4.050 -1.439 -4.668 86 HD21 LEU 13 3HD2 LEU 13 -2.191 -2.446 -3.435 87 HD22 LEU 13 1HD2 LEU 13 -1.839 -4.177 -3.633 88 HD23 LEU 13 2HD2 LEU 13 -3.173 -3.679 -2.581 89 H ALA 14 H ALA 14 -3.960 -3.918 -7.937 90 HA ALA 14 HA ALA 14 -1.467 -5.373 -8.431 91 HB1 ALA 14 3HB ALA 14 -1.961 -5.712 -10.833 92 HB2 ALA 14 1HB ALA 14 -3.124 -6.586 -9.828 93 HB3 ALA 14 2HB ALA 14 -3.598 -5.053 -10.597 94 H VAL 15 H VAL 15 -0.342 -4.192 -10.418 95 HA VAL 15 HA VAL 15 0.120 -1.478 -9.667 96 HB VAL 15 HB VAL 15 0.828 -2.760 -12.334 97 HG11 VAL 15 1HG1 VAL 15 1.923 -0.343 -10.828 98 HG12 VAL 15 2HG1 VAL 15 2.676 -1.061 -12.268 99 HG13 VAL 15 3HG1 VAL 15 1.082 -0.325 -12.394 100 HG21 VAL 15 3HG2 VAL 15 3.095 -3.040 -11.141 101 HG22 VAL 15 1HG2 VAL 15 2.213 -2.772 -9.620 102 HG23 VAL 15 2HG2 VAL 15 1.814 -4.156 -10.666 103 H GLY 16 H GLY 16 -0.681 0.437 -10.310 104 HA2 GLY 16 1HA GLY 16 -1.879 2.008 -11.519 105 HA3 GLY 16 2HA GLY 16 -2.425 0.766 -12.642 106 H ASP 17 H ASP 17 -3.214 -0.512 -9.687 107 HA ASP 17 HA ASP 17 -6.018 0.247 -9.831 108 HB2 ASP 17 1HB ASP 17 -4.835 -1.977 -9.024 109 HB3 ASP 17 2HB ASP 17 -4.780 -1.156 -7.467 110 H ARG 18 H ARG 18 -6.969 0.736 -7.429 111 HA ARG 18 HA ARG 18 -5.862 3.422 -6.649 112 HB2 ARG 18 1HB ARG 18 -8.644 2.223 -6.730 113 HB3 ARG 18 2HB ARG 18 -8.310 3.529 -5.605 114 HG2 ARG 18 1HG ARG 18 -7.502 3.851 -8.511 115 HG3 ARG 18 2HG ARG 18 -9.197 4.060 -8.019 116 HD2 ARG 18 1HD ARG 18 -8.354 5.716 -6.265 117 HD3 ARG 18 2HD ARG 18 -6.776 5.639 -7.079 118 HE ARG 18 HE ARG 18 -8.883 6.171 -8.978 119 HH11 ARG 18 1HH1 ARG 18 -7.119 7.865 -6.490 120 HH12 ARG 18 2HH1 ARG 18 -7.545 9.432 -7.123 121 HH21 ARG 18 1HH2 ARG 18 -9.399 8.175 -9.741 122 HH22 ARG 18 2HH2 ARG 18 -8.795 9.590 -8.937 123 H VAL 19 H VAL 19 -5.702 4.004 -4.538 124 HA VAL 19 HA VAL 19 -6.089 1.965 -2.445 125 HB VAL 19 HB VAL 19 -3.807 1.582 -2.959 126 HG11 VAL 19 1HG1 VAL 19 -3.145 3.497 -4.251 127 HG12 VAL 19 2HG1 VAL 19 -3.419 4.576 -2.867 128 HG13 VAL 19 3HG1 VAL 19 -2.092 3.437 -2.822 129 HG21 VAL 19 3HG2 VAL 19 -3.268 3.410 -0.659 130 HG22 VAL 19 1HG2 VAL 19 -4.580 2.269 -0.416 131 HG23 VAL 19 2HG2 VAL 19 -2.989 1.662 -0.855 132 H VAL 20 H VAL 20 -7.078 2.700 -0.799 133 HA VAL 20 HA VAL 20 -6.796 5.514 0.051 134 HB VAL 20 HB VAL 20 -8.840 5.514 -1.184 135 HG11 VAL 20 1HG1 VAL 20 -10.737 3.887 -0.151 136 HG12 VAL 20 2HG1 VAL 20 -9.688 3.412 -1.498 137 HG13 VAL 20 3HG1 VAL 20 -9.344 2.875 0.150 138 HG21 VAL 20 3HG2 VAL 20 -9.719 5.319 1.698 139 HG22 VAL 20 1HG2 VAL 20 -8.729 6.664 1.084 140 HG23 VAL 20 2HG2 VAL 20 -10.330 6.384 0.428 141 H TYR 21 H TYR 21 -6.875 5.798 2.202 142 HA TYR 21 HA TYR 21 -6.471 3.411 3.926 143 HB2 TYR 21 1HB TYR 21 -5.570 6.217 3.839 144 HB3 TYR 21 2HB TYR 21 -6.143 5.736 5.420 145 HD1 TYR 21 HD1 TYR 21 -4.263 3.592 2.900 146 HD2 TYR 21 HD2 TYR 21 -4.242 5.601 6.731 147 HE1 TYR 21 HE1 TYR 21 -2.029 2.682 3.361 148 HE2 TYR 21 HE2 TYR 21 -2.064 4.576 7.249 149 HH TYR 21 HH TYR 21 -0.423 3.201 6.567 150 HA PRO 22 HA PRO 22 -10.338 3.518 5.837 151 HB2 PRO 22 1HB PRO 22 -9.877 2.958 8.487 152 HB3 PRO 22 2HB PRO 22 -9.620 1.780 7.165 153 HG2 PRO 22 1HG PRO 22 -7.549 3.544 8.506 154 HG3 PRO 22 2HG PRO 22 -7.451 1.788 8.161 155 HD2 PRO 22 1HD PRO 22 -6.311 3.623 6.509 156 HD3 PRO 22 2HD PRO 22 -7.107 2.177 5.848 157 H ASN 23 H ASN 23 -7.964 5.688 7.297 158 HA ASN 23 HA ASN 23 -9.901 7.848 7.347 159 HB2 ASN 23 1HB ASN 23 -10.164 6.397 9.559 160 HB3 ASN 23 2HB ASN 23 -8.692 7.196 10.067 161 HD21 ASN 23 2HD2 ASN 23 -11.907 7.893 8.607 162 HD22 ASN 23 1HD2 ASN 23 -12.166 9.373 9.527 163 H GLN 24 H GLN 24 -7.838 7.949 5.747 164 HA GLN 24 HA GLN 24 -6.042 9.991 6.946 165 HB2 GLN 24 1HB GLN 24 -4.991 7.686 7.189 166 HB3 GLN 24 2HB GLN 24 -4.871 7.650 5.430 167 HG2 GLN 24 1HG GLN 24 -2.755 8.261 6.329 168 HG3 GLN 24 2HG GLN 24 -3.425 9.630 5.463 169 HE21 GLN 24 2HE2 GLN 24 -2.784 8.284 8.744 170 HE22 GLN 24 1HE2 GLN 24 -2.882 9.849 9.543 171 H GLY 25 H GLY 25 -6.342 8.211 3.795 172 HA2 GLY 25 1HA GLY 25 -7.242 10.347 2.209 173 HA3 GLY 25 2HA GLY 25 -5.477 10.452 2.245 174 H VAL 26 H VAL 26 -5.992 10.161 -0.106 175 HA VAL 26 HA VAL 26 -6.054 7.295 -0.939 176 HB VAL 26 HB VAL 26 -8.059 8.496 -1.638 177 HG11 VAL 26 1HG1 VAL 26 -6.239 10.353 -3.224 178 HG12 VAL 26 2HG1 VAL 26 -8.010 10.303 -3.287 179 HG13 VAL 26 3HG1 VAL 26 -7.205 10.801 -1.800 180 HG21 VAL 26 3HG2 VAL 26 -8.027 8.061 -4.052 181 HG22 VAL 26 1HG2 VAL 26 -6.263 7.868 -4.010 182 HG23 VAL 26 2HG2 VAL 26 -7.325 6.737 -3.134 183 H CYS 27 H CYS 27 -4.579 6.610 -2.430 184 HA CYS 27 HA CYS 27 -2.483 8.446 -3.449 185 HB2 CYS 27 1HB CYS 27 -1.869 5.829 -1.995 186 HB3 CYS 27 2HB CYS 27 -0.694 6.844 -2.839 187 HG CYS 27 HG CYS 27 -0.273 7.258 -0.357 188 H ARG 28 H ARG 28 -0.968 6.821 -4.956 189 HA ARG 28 HA ARG 28 -2.841 5.334 -6.770 190 HB2 ARG 28 1HB ARG 28 -1.812 7.865 -7.310 191 HB3 ARG 28 2HB ARG 28 -0.567 6.840 -8.007 192 HG2 ARG 28 1HG ARG 28 -2.071 7.187 -9.771 193 HG3 ARG 28 2HG ARG 28 -2.511 5.576 -9.187 194 HD2 ARG 28 1HD ARG 28 -4.313 6.686 -7.763 195 HD3 ARG 28 2HD ARG 28 -3.920 8.218 -8.533 196 HE ARG 28 HE ARG 28 -5.474 6.019 -9.633 197 HH11 ARG 28 1HH1 ARG 28 -3.468 8.687 -10.697 198 HH12 ARG 28 2HH1 ARG 28 -4.210 8.729 -12.270 199 HH21 ARG 28 1HH2 ARG 28 -6.379 6.133 -11.639 200 HH22 ARG 28 2HH2 ARG 28 -5.828 7.330 -12.771 201 H VAL 29 H VAL 29 -2.180 3.313 -7.244 202 HA VAL 29 HA VAL 29 0.218 2.229 -6.080 203 HB VAL 29 HB VAL 29 -1.536 0.956 -8.204 204 HG11 VAL 29 1HG1 VAL 29 -0.622 -1.164 -7.243 205 HG12 VAL 29 2HG1 VAL 29 0.663 -0.180 -7.949 206 HG13 VAL 29 3HG1 VAL 29 0.448 -0.228 -6.189 207 HG21 VAL 29 3HG2 VAL 29 -2.685 -0.174 -6.398 208 HG22 VAL 29 1HG2 VAL 29 -1.640 0.571 -5.174 209 HG23 VAL 29 2HG2 VAL 29 -2.800 1.557 -6.081 210 H SER 30 H SER 30 2.209 2.018 -6.759 211 HA SER 30 HA SER 30 2.970 2.952 -9.503 212 HB2 SER 30 1HB SER 30 3.787 4.495 -7.978 213 HB3 SER 30 2HB SER 30 4.187 3.280 -6.763 214 HG SER 30 HG SER 30 5.959 2.646 -7.981 215 H ALA 31 H ALA 31 4.016 0.650 -6.924 216 HA ALA 31 HA ALA 31 4.345 -1.491 -8.853 217 HB1 ALA 31 3HB ALA 31 6.815 -0.374 -7.433 218 HB2 ALA 31 1HB ALA 31 6.758 -1.878 -8.380 219 HB3 ALA 31 2HB ALA 31 6.505 -0.324 -9.185 220 H ILE 32 H ILE 32 5.048 -3.542 -7.697 221 HA ILE 32 HA ILE 32 4.625 -3.566 -4.760 222 HB ILE 32 HB ILE 32 2.991 -5.285 -6.684 223 HG12 ILE 32 1HG1 ILE 32 2.017 -3.090 -4.800 224 HG13 ILE 32 2HG1 ILE 32 2.145 -2.922 -6.534 225 HG21 ILE 32 1HG2 ILE 32 1.941 -6.123 -4.526 226 HG22 ILE 32 2HG2 ILE 32 3.622 -6.560 -4.711 227 HG23 ILE 32 3HG2 ILE 32 3.186 -5.229 -3.631 228 HD11 ILE 32 3HD1 ILE 32 -0.153 -3.314 -5.838 229 HD12 ILE 32 1HD1 ILE 32 0.448 -4.530 -6.983 230 HD13 ILE 32 2HD1 ILE 32 0.268 -4.930 -5.263 231 H ASP 33 H ASP 33 6.037 -4.968 -3.788 232 HA ASP 33 HA ASP 33 6.982 -7.332 -5.227 233 HB2 ASP 33 1HB ASP 33 8.545 -5.077 -5.522 234 HB3 ASP 33 2HB ASP 33 9.252 -5.775 -4.072 235 H VAL 34 H VAL 34 8.646 -8.546 -3.717 236 HA VAL 34 HA VAL 34 7.555 -8.468 -0.913 237 HB VAL 34 HB VAL 34 8.079 -10.785 -0.637 238 HG11 VAL 34 1HG1 VAL 34 6.583 -11.569 -2.865 239 HG12 VAL 34 2HG1 VAL 34 5.978 -11.068 -1.290 240 HG13 VAL 34 3HG1 VAL 34 6.093 -9.896 -2.612 241 HG21 VAL 34 3HG2 VAL 34 8.746 -12.263 -2.489 242 HG22 VAL 34 1HG2 VAL 34 9.017 -10.841 -3.525 243 HG23 VAL 34 2HG2 VAL 34 10.007 -11.109 -2.069 244 H LYS 35 H LYS 35 8.928 -8.462 0.836 245 HA LYS 35 HA LYS 35 11.797 -8.806 0.518 246 HB2 LYS 35 1HB LYS 35 12.507 -6.614 1.201 247 HB3 LYS 35 2HB LYS 35 11.602 -6.474 -0.288 248 HG2 LYS 35 1HG LYS 35 9.703 -5.527 0.815 249 HG3 LYS 35 2HG LYS 35 10.315 -5.918 2.431 250 HD2 LYS 35 1HD LYS 35 11.742 -4.042 0.508 251 HD3 LYS 35 2HD LYS 35 10.560 -3.493 1.699 252 HE2 LYS 35 1HE LYS 35 11.946 -3.689 3.452 253 HE3 LYS 35 2HE LYS 35 12.605 -5.232 2.925 254 HZ1 LYS 35 3HZ LYS 35 13.476 -2.977 1.324 255 HZ2 LYS 35 1HZ LYS 35 14.352 -4.208 1.946 256 HZ3 LYS 35 2HZ LYS 35 13.980 -2.922 2.873 257 H GLU 36 H GLU 36 12.948 -8.272 2.580 258 HA GLU 36 HA GLU 36 11.368 -9.145 4.963 259 HB2 GLU 36 1HB GLU 36 13.848 -10.108 3.879 260 HB3 GLU 36 2HB GLU 36 14.250 -9.222 5.338 261 HG2 GLU 36 1HG GLU 36 12.045 -10.758 6.137 262 HG3 GLU 36 2HG GLU 36 12.897 -11.792 4.987 263 H VAL 37 H VAL 37 10.780 -7.518 6.231 264 HA VAL 37 HA VAL 37 12.833 -5.420 6.880 265 HB VAL 37 HB VAL 37 11.057 -4.516 5.386 266 HG11 VAL 37 1HG1 VAL 37 9.167 -5.870 6.346 267 HG12 VAL 37 2HG1 VAL 37 9.175 -4.807 7.761 268 HG13 VAL 37 3HG1 VAL 37 8.821 -4.138 6.156 269 HG21 VAL 37 3HG2 VAL 37 12.341 -3.084 6.976 270 HG22 VAL 37 1HG2 VAL 37 10.715 -2.474 6.625 271 HG23 VAL 37 2HG2 VAL 37 11.036 -3.284 8.171 272 H ALA 38 H ALA 38 13.089 -4.947 9.018 273 HA ALA 38 HA ALA 38 13.254 -5.507 11.222 274 HB1 ALA 38 3HB ALA 38 11.216 -5.051 12.475 275 HB2 ALA 38 1HB ALA 38 11.335 -3.945 11.094 276 HB3 ALA 38 2HB ALA 38 10.226 -5.333 11.027 277 H GLY 39 H GLY 39 13.250 -7.891 9.525 278 HA2 GLY 39 1HA GLY 39 13.533 -10.154 9.938 279 HA3 GLY 39 2HA GLY 39 12.843 -9.972 11.547 280 H GLN 40 H GLN 40 11.020 -8.884 8.705 281 HA GLN 40 HA GLN 40 9.170 -11.233 8.874 282 HB2 GLN 40 1HB GLN 40 8.374 -9.271 10.217 283 HB3 GLN 40 2HB GLN 40 8.489 -8.266 8.783 284 HG2 GLN 40 1HG GLN 40 6.320 -8.703 8.552 285 HG3 GLN 40 2HG GLN 40 6.838 -10.207 7.797 286 HE21 GLN 40 2HE2 GLN 40 6.255 -12.200 8.888 287 HE22 GLN 40 1HE2 GLN 40 5.380 -12.143 10.412 288 H LYS 41 H LYS 41 9.238 -12.192 6.917 289 HA LYS 41 HA LYS 41 9.735 -10.599 4.466 290 HB2 LYS 41 1HB LYS 41 11.005 -12.808 5.082 291 HB3 LYS 41 2HB LYS 41 9.561 -13.619 4.506 292 HG2 LYS 41 1HG LYS 41 9.713 -12.418 2.342 293 HG3 LYS 41 2HG LYS 41 11.140 -11.539 2.907 294 HD2 LYS 41 1HD LYS 41 12.517 -13.433 2.874 295 HD3 LYS 41 2HD LYS 41 11.155 -14.568 2.835 296 HE2 LYS 41 1HE LYS 41 10.830 -14.401 0.607 297 HE3 LYS 41 2HE LYS 41 11.139 -12.669 0.563 298 HZ1 LYS 41 3HZ LYS 41 13.551 -14.100 1.091 299 HZ2 LYS 41 1HZ LYS 41 13.220 -13.057 -0.121 300 HZ3 LYS 41 2HZ LYS 41 12.863 -14.637 -0.287 301 H LEU 42 H LEU 42 8.040 -9.832 3.367 302 HA LEU 42 HA LEU 42 5.841 -11.575 2.619 303 HB2 LEU 42 1HB LEU 42 4.071 -10.703 3.835 304 HB3 LEU 42 2HB LEU 42 5.323 -10.814 5.022 305 HG LEU 42 HG LEU 42 5.660 -8.223 4.003 306 HD11 LEU 42 1HD1 LEU 42 3.647 -7.243 3.670 307 HD12 LEU 42 2HD1 LEU 42 2.718 -8.488 4.586 308 HD13 LEU 42 3HD1 LEU 42 3.296 -8.802 2.950 309 HD21 LEU 42 3HD2 LEU 42 4.608 -7.506 6.161 310 HD22 LEU 42 1HD2 LEU 42 5.871 -8.730 6.310 311 HD23 LEU 42 2HD2 LEU 42 4.156 -9.202 6.456 312 H THR 43 H THR 43 4.124 -10.293 1.319 313 HA THR 43 HA THR 43 5.413 -8.688 -0.711 314 HB THR 43 HB THR 43 2.417 -9.003 -0.308 315 HG1 THR 43 HG1 THR 43 2.539 -10.914 -1.384 316 HG21 THR 43 3HG2 THR 43 2.838 -9.270 -2.974 317 HG22 THR 43 1HG2 THR 43 4.234 -8.256 -2.587 318 HG23 THR 43 2HG2 THR 43 2.595 -7.696 -2.199 319 H PHE 44 H PHE 44 5.854 -6.528 -0.548 320 HA PHE 44 HA PHE 44 4.090 -4.802 1.155 321 HB2 PHE 44 1HB PHE 44 7.047 -4.545 0.551 322 HB3 PHE 44 2HB PHE 44 6.040 -3.302 1.282 323 HD1 PHE 44 HD2 PHE 44 5.026 -3.582 3.534 324 HD2 PHE 44 HD1 PHE 44 7.847 -6.409 1.913 325 HE1 PHE 44 HE2 PHE 44 5.375 -4.562 5.820 326 HE2 PHE 44 HE1 PHE 44 8.226 -7.328 4.191 327 HZ PHE 44 HZ PHE 44 6.926 -6.467 6.104 328 H VAL 45 H VAL 45 2.803 -3.585 0.023 329 HA VAL 45 HA VAL 45 3.189 -3.128 -2.863 330 HB VAL 45 HB VAL 45 1.059 -1.901 -2.752 331 HG11 VAL 45 1HG1 VAL 45 0.995 -4.283 -3.214 332 HG12 VAL 45 2HG1 VAL 45 1.137 -4.682 -1.508 333 HG13 VAL 45 3HG1 VAL 45 -0.328 -3.890 -2.126 334 HG21 VAL 45 3HG2 VAL 45 0.721 -2.895 0.088 335 HG22 VAL 45 1HG2 VAL 45 1.261 -1.241 -0.244 336 HG23 VAL 45 2HG2 VAL 45 -0.304 -1.777 -0.846 337 H THR 46 H THR 46 3.653 -1.109 -3.848 338 HA THR 46 HA THR 46 4.441 1.111 -2.015 339 HB THR 46 HB THR 46 5.870 0.391 -4.590 340 HG1 THR 46 HG1 THR 46 7.468 -0.421 -3.261 341 HG21 THR 46 3HG2 THR 46 7.591 1.907 -3.658 342 HG22 THR 46 1HG2 THR 46 6.571 2.217 -2.237 343 HG23 THR 46 2HG2 THR 46 6.051 2.768 -3.845 344 H MET 47 H MET 47 3.219 2.824 -2.281 345 HA MET 47 HA MET 47 2.106 3.439 -4.987 346 HB2 MET 47 1HB MET 47 0.580 3.870 -2.413 347 HB3 MET 47 2HB MET 47 0.003 3.965 -4.052 348 HG2 MET 47 1HG MET 47 -0.839 1.894 -3.449 349 HG3 MET 47 2HG MET 47 0.668 1.424 -4.192 350 HE1 MET 47 3HE MET 47 -0.846 2.687 -0.978 351 HE2 MET 47 1HE MET 47 -0.925 1.162 -0.066 352 HE3 MET 47 2HE MET 47 0.424 2.276 0.194 353 H ARG 48 H ARG 48 1.963 5.554 -5.550 354 HA ARG 48 HA ARG 48 3.460 7.538 -3.859 355 HB2 ARG 48 1HB ARG 48 3.868 7.060 -6.841 356 HB3 ARG 48 2HB ARG 48 4.607 8.331 -5.855 357 HG2 ARG 48 1HG ARG 48 5.666 6.521 -4.439 358 HG3 ARG 48 2HG ARG 48 5.071 5.328 -5.586 359 HD2 ARG 48 1HD ARG 48 6.678 5.800 -7.129 360 HD3 ARG 48 2HD ARG 48 6.477 7.533 -6.940 361 HE ARG 48 HE ARG 48 8.294 7.616 -5.569 362 HH11 ARG 48 1HH1 ARG 48 7.325 4.271 -5.571 363 HH12 ARG 48 2HH1 ARG 48 8.676 3.783 -4.575 364 HH21 ARG 48 1HH2 ARG 48 10.011 6.941 -4.353 365 HH22 ARG 48 2HH2 ARG 48 10.152 5.269 -3.909 366 H ARG 49 H ARG 49 2.158 9.144 -3.411 367 HA ARG 49 HA ARG 49 -0.304 9.634 -5.015 368 HB2 ARG 49 1HB ARG 49 -0.236 9.677 -2.452 369 HB3 ARG 49 2HB ARG 49 0.692 11.167 -2.572 370 HG2 ARG 49 1HG ARG 49 -1.308 11.891 -4.185 371 HG3 ARG 49 2HG ARG 49 -2.186 10.621 -3.367 372 HD2 ARG 49 1HD ARG 49 -0.859 13.051 -2.101 373 HD3 ARG 49 2HD ARG 49 -2.598 12.812 -2.374 374 HE ARG 49 HE ARG 49 -1.758 10.665 -0.768 375 HH11 ARG 49 1HH1 ARG 49 -2.216 14.118 -0.492 376 HH12 ARG 49 2HH1 ARG 49 -2.474 14.057 1.226 377 HH21 ARG 49 1HH2 ARG 49 -1.978 10.654 1.459 378 HH22 ARG 49 2HH2 ARG 49 -2.339 12.138 2.296 379 H GLU 50 H GLU 50 0.130 10.623 -6.868 380 HA GLU 50 HA GLU 50 2.199 12.521 -7.390 381 HB2 GLU 50 1HB GLU 50 -0.462 12.082 -8.800 382 HB3 GLU 50 2HB GLU 50 0.895 13.020 -9.446 383 HG2 GLU 50 1HG GLU 50 2.312 11.044 -9.537 384 HG3 GLU 50 2HG GLU 50 1.094 10.069 -8.714 385 H GLU 51 H GLU 51 -0.943 12.964 -5.996 386 HA GLU 51 HA GLU 51 -1.573 15.637 -6.450 387 HB2 GLU 51 1HB GLU 51 -2.639 13.578 -4.961 388 HB3 GLU 51 2HB GLU 51 -2.019 14.605 -3.682 389 HG2 GLU 51 1HG GLU 51 -4.123 15.439 -3.851 390 HG3 GLU 51 2HG GLU 51 -3.314 16.520 -4.982 391 H ASP 52 H ASP 52 0.615 14.343 -3.991 392 HA ASP 52 HA ASP 52 1.649 17.088 -3.401 393 HB2 ASP 52 1HB ASP 52 0.089 15.736 -1.631 394 HB3 ASP 52 2HB ASP 52 1.652 15.072 -1.187 395 H GLY 53 H GLY 53 2.493 14.325 -4.835 396 HA2 GLY 53 1HA GLY 53 4.426 13.245 -5.395 397 HA3 GLY 53 2HA GLY 53 5.356 14.562 -4.671 398 H ALA 54 H ALA 54 3.063 12.855 -2.687 399 HA ALA 54 HA ALA 54 5.164 11.997 -0.832 400 HB1 ALA 54 3HB ALA 54 3.303 11.436 0.630 401 HB2 ALA 54 1HB ALA 54 2.978 13.011 -0.113 402 HB3 ALA 54 2HB ALA 54 2.146 11.555 -0.711 403 H VAL 55 H VAL 55 5.103 9.777 0.122 404 HA VAL 55 HA VAL 55 4.370 7.613 -1.786 405 HB VAL 55 HB VAL 55 6.419 6.461 -1.458 406 HG11 VAL 55 1HG1 VAL 55 6.327 8.274 -3.224 407 HG12 VAL 55 2HG1 VAL 55 7.208 9.326 -2.106 408 HG13 VAL 55 3HG1 VAL 55 7.956 7.825 -2.683 409 HG21 VAL 55 3HG2 VAL 55 8.384 7.531 -0.285 410 HG22 VAL 55 1HG2 VAL 55 7.256 8.715 0.408 411 HG23 VAL 55 2HG2 VAL 55 7.092 6.986 0.789 412 H VAL 56 H VAL 56 3.865 5.633 -0.890 413 HA VAL 56 HA VAL 56 3.891 5.279 2.036 414 HB VAL 56 HB VAL 56 1.765 6.367 1.704 415 HG11 VAL 56 1HG1 VAL 56 1.209 4.274 -0.404 416 HG12 VAL 56 2HG1 VAL 56 -0.033 5.330 0.294 417 HG13 VAL 56 3HG1 VAL 56 1.307 6.024 -0.641 418 HG21 VAL 56 3HG2 VAL 56 1.848 4.472 3.315 419 HG22 VAL 56 1HG2 VAL 56 0.242 4.755 2.630 420 HG23 VAL 56 2HG2 VAL 56 1.215 3.397 2.047 421 H MET 57 H MET 57 3.967 3.170 2.653 422 HA MET 57 HA MET 57 3.702 1.046 0.640 423 HB2 MET 57 1HB MET 57 6.122 1.580 0.665 424 HB3 MET 57 2HB MET 57 6.141 1.421 2.425 425 HG2 MET 57 1HG MET 57 5.173 -1.036 1.773 426 HG3 MET 57 2HG MET 57 6.072 -0.699 0.306 427 HE1 MET 57 3HE MET 57 9.326 -1.345 0.693 428 HE2 MET 57 1HE MET 57 8.321 0.029 0.184 429 HE3 MET 57 2HE MET 57 9.466 0.214 1.534 430 H VAL 58 H VAL 58 2.535 -0.587 1.427 431 HA VAL 58 HA VAL 58 2.460 -1.035 4.360 432 HB VAL 58 HB VAL 58 0.054 -1.538 4.349 433 HG11 VAL 58 1HG1 VAL 58 0.711 0.631 5.127 434 HG12 VAL 58 2HG1 VAL 58 0.734 1.283 3.472 435 HG13 VAL 58 3HG1 VAL 58 -0.796 0.761 4.206 436 HG21 VAL 58 3HG2 VAL 58 -1.414 -0.848 2.565 437 HG22 VAL 58 1HG2 VAL 58 -0.028 -0.359 1.567 438 HG23 VAL 58 2HG2 VAL 58 -0.260 -2.075 2.011 439 HA PRO 59 HA PRO 59 2.940 -5.260 3.202 440 HB2 PRO 59 1HB PRO 59 1.981 -6.524 5.414 441 HB3 PRO 59 2HB PRO 59 3.512 -5.638 5.408 442 HG2 PRO 59 1HG PRO 59 0.811 -4.678 6.356 443 HG3 PRO 59 2HG PRO 59 2.392 -4.533 7.200 444 HD2 PRO 59 1HD PRO 59 1.375 -2.496 5.782 445 HD3 PRO 59 2HD PRO 59 3.121 -2.859 5.711 446 H GLU 60 H GLU 60 1.716 -6.308 1.673 447 HA GLU 60 HA GLU 60 -1.188 -6.334 1.650 448 HB2 GLU 60 1HB GLU 60 0.980 -7.261 -0.102 449 HB3 GLU 60 2HB GLU 60 -0.320 -8.444 -0.030 450 HG2 GLU 60 1HG GLU 60 -0.710 -5.507 -0.613 451 HG3 GLU 60 2HG GLU 60 -0.501 -6.720 -1.869 452 H GLY 61 H GLY 61 1.147 -8.695 2.829 453 HA2 GLY 61 1HA GLY 61 -1.035 -10.599 3.554 454 HA3 GLY 61 2HA GLY 61 0.704 -10.869 3.737 455 H LYS 62 H LYS 62 -0.112 -7.856 4.961 456 HA LYS 62 HA LYS 62 -0.718 -8.838 7.722 457 HB2 LYS 62 1HB LYS 62 1.843 -8.295 6.966 458 HB3 LYS 62 2HB LYS 62 1.294 -6.685 7.441 459 HG2 LYS 62 1HG LYS 62 0.837 -7.416 9.685 460 HG3 LYS 62 2HG LYS 62 1.337 -9.075 9.271 461 HD2 LYS 62 1HD LYS 62 3.600 -8.415 8.859 462 HD3 LYS 62 2HD LYS 62 3.194 -6.703 8.713 463 HE2 LYS 62 1HE LYS 62 2.504 -6.737 11.162 464 HE3 LYS 62 2HE LYS 62 3.137 -8.387 11.263 465 HZ1 LYS 62 3HZ LYS 62 5.314 -7.521 10.622 466 HZ2 LYS 62 1HZ LYS 62 4.792 -6.768 11.966 467 HZ3 LYS 62 2HZ LYS 62 4.730 -5.983 10.536 468 H VAL 63 H VAL 63 -1.674 -6.688 5.319 469 HA VAL 63 HA VAL 63 -2.418 -4.339 6.553 470 HB VAL 63 HB VAL 63 -4.544 -4.450 5.232 471 HG11 VAL 63 1HG1 VAL 63 -3.612 -3.722 3.315 472 HG12 VAL 63 2HG1 VAL 63 -2.266 -3.503 4.450 473 HG13 VAL 63 3HG1 VAL 63 -2.283 -4.901 3.349 474 HG21 VAL 63 3HG2 VAL 63 -3.530 -6.724 3.588 475 HG22 VAL 63 1HG2 VAL 63 -4.369 -7.122 5.082 476 HG23 VAL 63 2HG2 VAL 63 -5.177 -6.130 3.858 477 H LEU 64 H LEU 64 -3.824 -7.459 7.171 478 HA LEU 64 HA LEU 64 -6.230 -6.740 8.467 479 HB2 LEU 64 1HB LEU 64 -4.467 -9.091 9.222 480 HB3 LEU 64 2HB LEU 64 -6.218 -8.961 9.337 481 HG LEU 64 HG LEU 64 -4.541 -9.300 6.790 482 HD11 LEU 64 1HD1 LEU 64 -6.700 -11.024 8.080 483 HD12 LEU 64 2HD1 LEU 64 -4.948 -11.311 8.185 484 HD13 LEU 64 3HD1 LEU 64 -5.766 -11.402 6.615 485 HD21 LEU 64 3HD2 LEU 64 -6.439 -7.801 6.239 486 HD22 LEU 64 1HD2 LEU 64 -7.568 -8.911 7.045 487 HD23 LEU 64 2HD2 LEU 64 -6.704 -9.415 5.574 488 H ALA 65 H ALA 65 -2.921 -6.575 9.620 489 HA ALA 65 HA ALA 65 -3.540 -6.161 12.438 490 HB1 ALA 65 3HB ALA 65 -1.422 -7.193 11.613 491 HB2 ALA 65 1HB ALA 65 -0.975 -5.646 10.863 492 HB3 ALA 65 2HB ALA 65 -1.142 -5.762 12.623 493 H ILE 66 H ILE 66 -2.427 -4.019 9.759 494 HA ILE 66 HA ILE 66 -2.601 -1.585 11.323 495 HB ILE 66 HB ILE 66 -2.596 -1.797 8.283 496 HG12 ILE 66 1HG1 ILE 66 0.007 -1.124 9.022 497 HG13 ILE 66 2HG1 ILE 66 -0.412 -2.265 10.288 498 HG21 ILE 66 1HG2 ILE 66 -3.122 0.481 9.191 499 HG22 ILE 66 2HG2 ILE 66 -1.641 0.426 10.155 500 HG23 ILE 66 3HG2 ILE 66 -1.562 0.440 8.381 501 HD11 ILE 66 3HD1 ILE 66 -0.499 -2.704 7.272 502 HD12 ILE 66 1HD1 ILE 66 0.628 -3.425 8.447 503 HD13 ILE 66 2HD1 ILE 66 -1.082 -3.893 8.456 504 H GLY 67 H GLY 67 -4.893 -3.275 9.248 505 HA2 GLY 67 1HA GLY 67 -7.231 -3.156 9.349 506 HA3 GLY 67 2HA GLY 67 -7.152 -1.620 10.205 507 H VAL 68 H VAL 68 -5.206 -1.809 7.355 508 HA VAL 68 HA VAL 68 -6.927 0.182 5.966 509 HB VAL 68 HB VAL 68 -4.095 -0.787 5.367 510 HG11 VAL 68 1HG1 VAL 68 -5.152 -0.005 3.296 511 HG12 VAL 68 2HG1 VAL 68 -5.567 1.518 4.101 512 HG13 VAL 68 3HG1 VAL 68 -3.868 1.054 3.847 513 HG21 VAL 68 3HG2 VAL 68 -4.563 0.715 7.493 514 HG22 VAL 68 1HG2 VAL 68 -3.206 1.052 6.408 515 HG23 VAL 68 2HG2 VAL 68 -4.689 2.005 6.294 516 H ARG 69 H ARG 69 -8.057 -0.220 4.096 517 HA ARG 69 HA ARG 69 -7.442 -2.763 2.611 518 HB2 ARG 69 1HB ARG 69 -9.830 -2.217 4.083 519 HB3 ARG 69 2HB ARG 69 -10.263 -1.972 2.410 520 HG2 ARG 69 1HG ARG 69 -10.684 -4.261 2.978 521 HG3 ARG 69 2HG ARG 69 -9.327 -4.240 1.855 522 HD2 ARG 69 1HD ARG 69 -7.920 -5.183 3.363 523 HD3 ARG 69 2HD ARG 69 -8.376 -4.065 4.638 524 HE ARG 69 HE ARG 69 -9.359 -6.765 4.258 525 HH11 ARG 69 1HH1 ARG 69 -10.281 -3.694 5.661 526 HH12 ARG 69 2HH1 ARG 69 -11.413 -4.429 6.761 527 HH21 ARG 69 1HH2 ARG 69 -10.802 -7.644 5.693 528 HH22 ARG 69 2HH2 ARG 69 -11.685 -6.612 6.778 529 H LYS 70 H LYS 70 -6.518 -2.150 0.823 530 HA LYS 70 HA LYS 70 -7.417 0.328 -0.585 531 HB2 LYS 70 1HB LYS 70 -5.331 0.069 -1.875 532 HB3 LYS 70 2HB LYS 70 -5.074 0.200 -0.119 533 HG2 LYS 70 1HG LYS 70 -5.292 -2.574 -0.829 534 HG3 LYS 70 2HG LYS 70 -4.239 -1.799 -1.991 535 HD2 LYS 70 1HD LYS 70 -2.547 -1.538 -0.540 536 HD3 LYS 70 2HD LYS 70 -3.590 -1.136 0.851 537 HE2 LYS 70 1HE LYS 70 -4.165 -3.362 1.286 538 HE3 LYS 70 2HE LYS 70 -3.814 -3.881 -0.355 539 HZ1 LYS 70 3HZ LYS 70 -1.796 -3.313 1.719 540 HZ2 LYS 70 1HZ LYS 70 -1.443 -3.571 0.119 541 HZ3 LYS 70 2HZ LYS 70 -2.205 -4.745 0.967 542 H VAL 71 H VAL 71 -9.113 0.005 -1.811 543 HA VAL 71 HA VAL 71 -9.079 -1.923 -4.030 544 HB VAL 71 HB VAL 71 -11.452 -1.927 -2.122 545 HG11 VAL 71 1HG1 VAL 71 -10.651 -3.715 -4.448 546 HG12 VAL 71 2HG1 VAL 71 -11.902 -4.171 -3.281 547 HG13 VAL 71 3HG1 VAL 71 -12.145 -2.756 -4.266 548 HG21 VAL 71 3HG2 VAL 71 -9.316 -4.092 -2.206 549 HG22 VAL 71 1HG2 VAL 71 -9.612 -2.987 -0.841 550 HG23 VAL 71 2HG2 VAL 71 -10.840 -4.150 -1.298 551 H ALA 72 H ALA 72 -11.056 -1.490 -5.443 552 HA ALA 72 HA ALA 72 -11.408 1.268 -5.991 553 HB1 ALA 72 3HB ALA 72 -13.102 -1.119 -6.834 554 HB2 ALA 72 1HB ALA 72 -13.039 0.474 -7.623 555 HB3 ALA 72 2HB ALA 72 -11.609 -0.568 -7.637 556 H SER 73 H SER 73 -13.169 -0.742 -3.725 557 HA SER 73 HA SER 73 -14.991 1.576 -3.110 558 HB2 SER 73 1HB SER 73 -15.675 -1.376 -2.945 559 HB3 SER 73 2HB SER 73 -16.683 -0.053 -2.336 560 HG SER 73 HG SER 73 -17.292 -0.717 -4.450 561 H ALA 74 H ALA 74 -13.267 -1.219 -1.631 562 HA ALA 74 HA ALA 74 -13.890 -0.536 1.090 563 HB1 ALA 74 3HB ALA 74 -13.024 -2.769 0.091 564 HB2 ALA 74 1HB ALA 74 -11.414 -2.012 0.235 565 HB3 ALA 74 2HB ALA 74 -12.425 -2.243 1.671 566 H GLU 75 H GLU 75 -12.331 0.111 2.720 567 HA GLU 75 HA GLU 75 -10.097 1.872 2.005 568 HB2 GLU 75 1HB GLU 75 -10.938 3.779 3.221 569 HB3 GLU 75 2HB GLU 75 -12.008 3.361 1.895 570 HG2 GLU 75 1HG GLU 75 -13.463 2.127 3.652 571 HG3 GLU 75 2HG GLU 75 -12.455 2.911 4.867 Start of MODEL 15 1 H1 ALA 1 1H ALA 1 -8.404 14.477 -5.933 2 H2 ALA 1 2H ALA 1 -9.479 13.337 -6.402 3 H3 ALA 1 3H ALA 1 -8.352 13.886 -7.460 4 HA ALA 1 HA ALA 1 -10.673 15.333 -6.390 5 HB1 ALA 1 3HB ALA 1 -8.375 16.534 -7.996 6 HB2 ALA 1 1HB ALA 1 -9.879 17.356 -7.528 7 HB3 ALA 1 2HB ALA 1 -8.731 16.840 -6.283 8 H GLY 2 H GLY 2 -12.170 14.041 -7.480 9 HA2 GLY 2 1HA GLY 2 -13.426 14.474 -9.650 10 HA3 GLY 2 2HA GLY 2 -12.000 13.857 -10.475 11 H HIS 3 H HIS 3 -11.599 11.642 -10.495 12 HA HIS 3 HA HIS 3 -13.882 9.862 -10.068 13 HB2 HIS 3 1HB HIS 3 -11.326 9.746 -11.504 14 HB3 HIS 3 2HB HIS 3 -11.554 8.298 -10.540 15 HD1 HIS 3 HD1 HIS 3 -13.870 10.356 -12.923 16 HD2 HIS 3 HD2 HIS 3 -12.831 6.420 -11.765 17 HE1 HIS 3 HE1 HIS 3 -15.311 8.766 -14.354 18 HE2 HIS 3 HE2 HIS 3 -14.662 6.373 -13.658 19 H MET 4 H MET 4 -14.349 8.587 -8.420 20 HA MET 4 HA MET 4 -12.818 8.710 -5.946 21 HB2 MET 4 1HB MET 4 -15.465 7.603 -6.819 22 HB3 MET 4 2HB MET 4 -14.661 6.686 -5.561 23 HG2 MET 4 1HG MET 4 -15.818 8.119 -4.267 24 HG3 MET 4 2HG MET 4 -14.300 8.991 -4.377 25 HE1 MET 4 3HE MET 4 -17.525 11.084 -3.869 26 HE2 MET 4 1HE MET 4 -16.197 10.184 -3.113 27 HE3 MET 4 2HE MET 4 -15.896 11.792 -3.801 28 HA PRO 5 HA PRO 5 -10.398 5.000 -6.234 29 HB2 PRO 5 1HB PRO 5 -10.420 4.048 -3.653 30 HB3 PRO 5 2HB PRO 5 -9.544 5.517 -4.165 31 HG2 PRO 5 1HG PRO 5 -12.298 5.359 -2.913 32 HG3 PRO 5 2HG PRO 5 -10.914 6.387 -2.427 33 HD2 PRO 5 1HD PRO 5 -12.914 7.285 -3.994 34 HD3 PRO 5 2HD PRO 5 -11.228 7.783 -4.319 35 H GLU 6 H GLU 6 -11.135 3.374 -7.452 36 HA GLU 6 HA GLU 6 -12.621 1.194 -6.342 37 HB2 GLU 6 1HB GLU 6 -14.322 3.173 -7.332 38 HB3 GLU 6 2HB GLU 6 -14.083 2.169 -8.753 39 HG2 GLU 6 1HG GLU 6 -14.616 0.158 -7.131 40 HG3 GLU 6 2HG GLU 6 -15.192 1.403 -6.026 41 H GLY 7 H GLY 7 -13.321 -0.299 -8.418 42 HA2 GLY 7 1HA GLY 7 -11.859 -0.456 -10.796 43 HA3 GLY 7 2HA GLY 7 -10.864 -1.210 -9.535 44 H SER 8 H SER 8 -11.399 -2.950 -11.292 45 HA SER 8 HA SER 8 -13.523 -4.721 -10.169 46 HB2 SER 8 1HB SER 8 -14.262 -3.359 -12.254 47 HB3 SER 8 2HB SER 8 -13.217 -4.457 -13.167 48 HG SER 8 HG SER 8 -14.439 -6.202 -12.212 49 H ALA 9 H ALA 9 -10.434 -4.628 -10.289 50 HA ALA 9 HA ALA 9 -9.628 -7.013 -11.738 51 HB1 ALA 9 3HB ALA 9 -8.223 -4.880 -11.011 52 HB2 ALA 9 1HB ALA 9 -7.971 -5.817 -9.523 53 HB3 ALA 9 2HB ALA 9 -7.474 -6.480 -11.079 54 H SER 10 H SER 10 -8.102 -8.487 -10.165 55 HA SER 10 HA SER 10 -9.869 -10.218 -8.685 56 HB2 SER 10 1HB SER 10 -6.827 -10.245 -8.641 57 HB3 SER 10 2HB SER 10 -7.933 -11.580 -8.287 58 HG SER 10 HG SER 10 -7.162 -10.519 -10.755 59 H LEU 11 H LEU 11 -8.870 -11.089 -6.458 60 HA LEU 11 HA LEU 11 -9.392 -9.041 -4.475 61 HB2 LEU 11 1HB LEU 11 -8.525 -11.931 -4.096 62 HB3 LEU 11 2HB LEU 11 -9.242 -10.873 -2.884 63 HG LEU 11 HG LEU 11 -10.615 -12.035 -5.336 64 HD11 LEU 11 1HD1 LEU 11 -12.032 -13.114 -3.622 65 HD12 LEU 11 2HD1 LEU 11 -11.061 -12.360 -2.339 66 HD13 LEU 11 3HD1 LEU 11 -10.328 -13.557 -3.428 67 HD21 LEU 11 3HD2 LEU 11 -11.689 -10.034 -3.300 68 HD22 LEU 11 1HD2 LEU 11 -12.687 -10.954 -4.451 69 HD23 LEU 11 2HD2 LEU 11 -11.510 -9.785 -5.053 70 H GLN 12 H GLN 12 -7.190 -8.083 -5.695 71 HA GLN 12 HA GLN 12 -5.264 -7.828 -3.530 72 HB2 GLN 12 1HB GLN 12 -4.770 -9.891 -5.426 73 HB3 GLN 12 2HB GLN 12 -3.784 -8.557 -5.997 74 HG2 GLN 12 1HG GLN 12 -2.737 -8.368 -3.753 75 HG3 GLN 12 2HG GLN 12 -3.755 -9.693 -3.167 76 HE21 GLN 12 2HE2 GLN 12 -0.638 -9.279 -3.796 77 HE22 GLN 12 1HE2 GLN 12 -0.299 -10.802 -4.613 78 H LEU 13 H LEU 13 -3.619 -6.141 -4.001 79 HA LEU 13 HA LEU 13 -4.641 -4.001 -5.663 80 HB2 LEU 13 1HB LEU 13 -2.184 -4.485 -3.972 81 HB3 LEU 13 2HB LEU 13 -2.096 -3.208 -5.167 82 HG LEU 13 HG LEU 13 -4.184 -3.340 -2.944 83 HD11 LEU 13 1HD1 LEU 13 -2.064 -2.898 -2.034 84 HD12 LEU 13 2HD1 LEU 13 -2.866 -1.326 -2.176 85 HD13 LEU 13 3HD1 LEU 13 -1.617 -1.770 -3.348 86 HD21 LEU 13 3HD2 LEU 13 -4.282 -1.893 -5.410 87 HD22 LEU 13 1HD2 LEU 13 -3.823 -0.737 -4.183 88 HD23 LEU 13 2HD2 LEU 13 -5.299 -1.686 -3.983 89 H ALA 14 H ALA 14 -3.468 -2.965 -7.406 90 HA ALA 14 HA ALA 14 -1.537 -4.540 -8.978 91 HB1 ALA 14 3HB ALA 14 -2.944 -4.203 -11.056 92 HB2 ALA 14 1HB ALA 14 -3.638 -5.363 -9.897 93 HB3 ALA 14 2HB ALA 14 -4.292 -3.712 -10.007 94 H VAL 15 H VAL 15 -0.495 -3.241 -10.620 95 HA VAL 15 HA VAL 15 0.154 -0.588 -9.828 96 HB VAL 15 HB VAL 15 0.517 -1.911 -12.534 97 HG11 VAL 15 1HG1 VAL 15 1.723 0.615 -11.297 98 HG12 VAL 15 2HG1 VAL 15 2.438 -0.214 -12.692 99 HG13 VAL 15 3HG1 VAL 15 0.822 0.482 -12.826 100 HG21 VAL 15 3HG2 VAL 15 2.361 -1.681 -10.107 101 HG22 VAL 15 1HG2 VAL 15 1.643 -3.174 -10.752 102 HG23 VAL 15 2HG2 VAL 15 2.845 -2.301 -11.700 103 H GLY 16 H GLY 16 -0.766 1.324 -10.106 104 HA2 GLY 16 1HA GLY 16 -2.016 3.009 -11.014 105 HA3 GLY 16 2HA GLY 16 -2.605 1.952 -12.297 106 H ASP 17 H ASP 17 -3.236 0.233 -9.499 107 HA ASP 17 HA ASP 17 -6.055 0.903 -9.482 108 HB2 ASP 17 1HB ASP 17 -4.933 -1.355 -8.945 109 HB3 ASP 17 2HB ASP 17 -4.502 -0.646 -7.381 110 H ARG 18 H ARG 18 -7.206 1.769 -7.599 111 HA ARG 18 HA ARG 18 -5.700 4.003 -6.281 112 HB2 ARG 18 1HB ARG 18 -8.678 3.354 -6.382 113 HB3 ARG 18 2HB ARG 18 -7.954 4.670 -5.463 114 HG2 ARG 18 1HG ARG 18 -8.705 5.734 -7.363 115 HG3 ARG 18 2HG ARG 18 -6.979 5.551 -7.661 116 HD2 ARG 18 1HD ARG 18 -7.335 3.786 -9.222 117 HD3 ARG 18 2HD ARG 18 -8.997 3.508 -8.656 118 HE ARG 18 HE ARG 18 -9.164 6.062 -9.551 119 HH11 ARG 18 1HH1 ARG 18 -7.946 3.210 -11.158 120 HH12 ARG 18 2HH1 ARG 18 -8.425 3.776 -12.735 121 HH21 ARG 18 1HH2 ARG 18 -9.692 6.763 -11.573 122 HH22 ARG 18 2HH2 ARG 18 -9.409 5.742 -12.950 123 H VAL 19 H VAL 19 -6.183 4.422 -4.034 124 HA VAL 19 HA VAL 19 -6.942 2.234 -2.243 125 HB VAL 19 HB VAL 19 -5.001 2.309 -0.864 126 HG11 VAL 19 1HG1 VAL 19 -5.113 0.719 -2.811 127 HG12 VAL 19 2HG1 VAL 19 -3.979 1.769 -3.667 128 HG13 VAL 19 3HG1 VAL 19 -3.508 0.990 -2.147 129 HG21 VAL 19 3HG2 VAL 19 -4.268 4.721 -2.031 130 HG22 VAL 19 1HG2 VAL 19 -3.290 3.757 -0.930 131 HG23 VAL 19 2HG2 VAL 19 -3.085 3.602 -2.686 132 H VAL 20 H VAL 20 -7.269 2.953 -0.039 133 HA VAL 20 HA VAL 20 -7.246 5.867 0.474 134 HB VAL 20 HB VAL 20 -9.537 5.113 -0.299 135 HG11 VAL 20 1HG1 VAL 20 -9.700 3.837 2.481 136 HG12 VAL 20 2HG1 VAL 20 -10.981 3.951 1.277 137 HG13 VAL 20 3HG1 VAL 20 -9.565 2.920 0.974 138 HG21 VAL 20 3HG2 VAL 20 -9.133 7.180 1.106 139 HG22 VAL 20 1HG2 VAL 20 -10.749 6.469 1.225 140 HG23 VAL 20 2HG2 VAL 20 -9.581 6.222 2.527 141 H TYR 21 H TYR 21 -7.288 6.355 2.756 142 HA TYR 21 HA TYR 21 -6.352 4.132 4.537 143 HB2 TYR 21 1HB TYR 21 -5.322 6.828 3.996 144 HB3 TYR 21 2HB TYR 21 -5.653 6.571 5.694 145 HD1 TYR 21 HD1 TYR 21 -4.267 4.271 3.018 146 HD2 TYR 21 HD2 TYR 21 -3.697 6.136 6.875 147 HE1 TYR 21 HE1 TYR 21 -2.058 3.092 3.293 148 HE2 TYR 21 HE2 TYR 21 -1.517 4.999 7.105 149 HH TYR 21 HH TYR 21 -0.303 3.124 6.284 150 HA PRO 22 HA PRO 22 -9.777 4.798 7.225 151 HB2 PRO 22 1HB PRO 22 -8.755 4.461 9.754 152 HB3 PRO 22 2HB PRO 22 -8.959 3.128 8.578 153 HG2 PRO 22 1HG PRO 22 -6.444 4.722 9.159 154 HG3 PRO 22 2HG PRO 22 -6.630 2.940 9.059 155 HD2 PRO 22 1HD PRO 22 -5.727 4.382 6.961 156 HD3 PRO 22 2HD PRO 22 -6.838 3.001 6.706 157 H ASN 23 H ASN 23 -6.926 6.824 7.787 158 HA ASN 23 HA ASN 23 -8.612 9.173 8.130 159 HB2 ASN 23 1HB ASN 23 -8.340 7.906 10.461 160 HB3 ASN 23 2HB ASN 23 -6.745 8.629 10.473 161 HD21 ASN 23 2HD2 ASN 23 -10.212 9.405 9.964 162 HD22 ASN 23 1HD2 ASN 23 -10.123 10.994 10.722 163 H GLN 24 H GLN 24 -7.062 8.961 6.033 164 HA GLN 24 HA GLN 24 -4.864 10.893 6.523 165 HB2 GLN 24 1HB GLN 24 -4.282 8.200 6.413 166 HB3 GLN 24 2HB GLN 24 -3.933 8.686 4.762 167 HG2 GLN 24 1HG GLN 24 -2.815 10.144 7.202 168 HG3 GLN 24 2HG GLN 24 -2.085 8.684 6.557 169 HE21 GLN 24 2HE2 GLN 24 -3.267 11.853 5.044 170 HE22 GLN 24 1HE2 GLN 24 -1.753 12.015 4.175 171 H GLY 25 H GLY 25 -6.220 8.924 3.809 172 HA2 GLY 25 1HA GLY 25 -7.353 10.822 2.200 173 HA3 GLY 25 2HA GLY 25 -5.621 11.032 1.890 174 H VAL 26 H VAL 26 -6.097 10.414 -0.278 175 HA VAL 26 HA VAL 26 -6.336 7.471 -0.742 176 HB VAL 26 HB VAL 26 -7.299 7.952 -2.941 177 HG11 VAL 26 1HG1 VAL 26 -8.874 9.023 -0.576 178 HG12 VAL 26 2HG1 VAL 26 -9.569 8.611 -2.156 179 HG13 VAL 26 3HG1 VAL 26 -8.798 7.351 -1.186 180 HG21 VAL 26 3HG2 VAL 26 -8.364 10.602 -2.564 181 HG22 VAL 26 1HG2 VAL 26 -6.607 10.698 -2.456 182 HG23 VAL 26 2HG2 VAL 26 -7.360 9.964 -3.875 183 H CYS 27 H CYS 27 -5.058 6.575 -2.333 184 HA CYS 27 HA CYS 27 -2.950 8.201 -3.635 185 HB2 CYS 27 1HB CYS 27 -2.131 5.671 -2.159 186 HB3 CYS 27 2HB CYS 27 -1.114 6.905 -2.876 187 HG CYS 27 HG CYS 27 -0.684 7.269 -0.440 188 H ARG 28 H ARG 28 -1.572 6.609 -5.088 189 HA ARG 28 HA ARG 28 -3.321 4.545 -6.355 190 HB2 ARG 28 1HB ARG 28 -3.487 6.697 -7.538 191 HB3 ARG 28 2HB ARG 28 -1.732 6.743 -7.753 192 HG2 ARG 28 1HG ARG 28 -1.747 4.928 -9.271 193 HG3 ARG 28 2HG ARG 28 -3.365 4.395 -8.782 194 HD2 ARG 28 1HD ARG 28 -4.448 6.212 -9.836 195 HD3 ARG 28 2HD ARG 28 -2.950 7.113 -10.067 196 HE ARG 28 HE ARG 28 -3.990 4.907 -11.706 197 HH11 ARG 28 1HH1 ARG 28 -1.108 6.735 -10.977 198 HH12 ARG 28 2HH1 ARG 28 -0.296 6.247 -12.441 199 HH21 ARG 28 1HH2 ARG 28 -2.961 4.424 -13.633 200 HH22 ARG 28 2HH2 ARG 28 -1.331 4.965 -13.899 201 H VAL 29 H VAL 29 -2.369 2.695 -6.868 202 HA VAL 29 HA VAL 29 0.192 1.945 -5.814 203 HB VAL 29 HB VAL 29 -1.376 0.567 -7.971 204 HG11 VAL 29 1HG1 VAL 29 0.949 -0.338 -7.712 205 HG12 VAL 29 2HG1 VAL 29 0.684 -0.496 -5.962 206 HG13 VAL 29 3HG1 VAL 29 -0.247 -1.476 -7.107 207 HG21 VAL 29 3HG2 VAL 29 -1.476 0.158 -4.944 208 HG22 VAL 29 1HG2 VAL 29 -2.776 0.849 -5.931 209 HG23 VAL 29 2HG2 VAL 29 -2.301 -0.827 -6.168 210 H SER 30 H SER 30 2.160 1.953 -6.556 211 HA SER 30 HA SER 30 2.788 2.911 -9.328 212 HB2 SER 30 1HB SER 30 3.461 4.519 -7.756 213 HB3 SER 30 2HB SER 30 4.087 3.321 -6.620 214 HG SER 30 HG SER 30 5.920 3.792 -7.547 215 H ALA 31 H ALA 31 4.031 0.816 -6.666 216 HA ALA 31 HA ALA 31 4.907 -1.199 -8.640 217 HB1 ALA 31 3HB ALA 31 6.944 -0.420 -6.575 218 HB2 ALA 31 1HB ALA 31 7.164 -0.979 -8.247 219 HB3 ALA 31 2HB ALA 31 6.725 0.709 -7.924 220 H ILE 32 H ILE 32 5.486 -3.261 -7.591 221 HA ILE 32 HA ILE 32 4.665 -3.631 -4.770 222 HB ILE 32 HB ILE 32 3.420 -5.250 -7.035 223 HG12 ILE 32 1HG1 ILE 32 2.113 -3.141 -5.259 224 HG13 ILE 32 2HG1 ILE 32 2.354 -3.050 -6.987 225 HG21 ILE 32 1HG2 ILE 32 3.253 -5.435 -3.996 226 HG22 ILE 32 2HG2 ILE 32 2.105 -6.257 -5.077 227 HG23 ILE 32 3HG2 ILE 32 3.807 -6.664 -5.141 228 HD11 ILE 32 3HD1 ILE 32 0.135 -3.654 -6.893 229 HD12 ILE 32 1HD1 ILE 32 0.907 -5.227 -7.122 230 HD13 ILE 32 2HD1 ILE 32 0.342 -4.730 -5.512 231 H ASP 33 H ASP 33 6.103 -4.942 -3.777 232 HA ASP 33 HA ASP 33 7.285 -7.215 -5.193 233 HB2 ASP 33 1HB ASP 33 9.595 -6.628 -4.719 234 HB3 ASP 33 2HB ASP 33 8.863 -5.452 -5.792 235 H VAL 34 H VAL 34 8.391 -8.721 -3.767 236 HA VAL 34 HA VAL 34 7.380 -8.571 -0.957 237 HB VAL 34 HB VAL 34 7.736 -10.921 -0.761 238 HG11 VAL 34 1HG1 VAL 34 6.303 -11.457 -3.144 239 HG12 VAL 34 2HG1 VAL 34 5.664 -11.116 -1.533 240 HG13 VAL 34 3HG1 VAL 34 5.871 -9.809 -2.708 241 HG21 VAL 34 3HG2 VAL 34 9.697 -11.320 -2.136 242 HG22 VAL 34 1HG2 VAL 34 8.379 -12.367 -2.658 243 HG23 VAL 34 2HG2 VAL 34 8.790 -10.925 -3.613 244 H LYS 35 H LYS 35 8.726 -8.682 0.810 245 HA LYS 35 HA LYS 35 11.577 -9.223 0.523 246 HB2 LYS 35 1HB LYS 35 12.408 -7.114 1.335 247 HB3 LYS 35 2HB LYS 35 11.558 -6.841 -0.170 248 HG2 LYS 35 1HG LYS 35 9.714 -5.815 0.899 249 HG3 LYS 35 2HG LYS 35 10.174 -6.387 2.506 250 HD2 LYS 35 1HD LYS 35 11.766 -4.335 0.906 251 HD3 LYS 35 2HD LYS 35 10.530 -3.969 2.101 252 HE2 LYS 35 1HE LYS 35 12.291 -3.787 3.480 253 HE3 LYS 35 2HE LYS 35 11.973 -5.504 3.710 254 HZ1 LYS 35 3HZ LYS 35 14.354 -4.891 3.288 255 HZ2 LYS 35 1HZ LYS 35 13.971 -4.443 1.769 256 HZ3 LYS 35 2HZ LYS 35 13.811 -6.004 2.237 257 H GLU 36 H GLU 36 12.706 -8.912 2.638 258 HA GLU 36 HA GLU 36 10.976 -9.750 4.926 259 HB2 GLU 36 1HB GLU 36 13.365 -10.892 3.874 260 HB3 GLU 36 2HB GLU 36 13.856 -10.059 5.335 261 HG2 GLU 36 1HG GLU 36 11.554 -11.366 6.184 262 HG3 GLU 36 2HG GLU 36 12.179 -12.456 4.946 263 H VAL 37 H VAL 37 10.475 -8.169 6.274 264 HA VAL 37 HA VAL 37 12.602 -6.181 7.033 265 HB VAL 37 HB VAL 37 10.755 -5.177 5.658 266 HG11 VAL 37 1HG1 VAL 37 9.006 -5.575 8.118 267 HG12 VAL 37 2HG1 VAL 37 8.577 -4.811 6.577 268 HG13 VAL 37 3HG1 VAL 37 8.898 -6.561 6.650 269 HG21 VAL 37 3HG2 VAL 37 11.028 -4.148 8.514 270 HG22 VAL 37 1HG2 VAL 37 12.105 -3.781 7.144 271 HG23 VAL 37 2HG2 VAL 37 10.423 -3.228 7.126 272 H ALA 38 H ALA 38 12.928 -5.907 9.221 273 HA ALA 38 HA ALA 38 13.048 -6.601 11.401 274 HB1 ALA 38 3HB ALA 38 11.279 -4.942 11.441 275 HB2 ALA 38 1HB ALA 38 10.052 -6.176 11.083 276 HB3 ALA 38 2HB ALA 38 10.921 -6.207 12.630 277 H GLY 39 H GLY 39 12.973 -8.877 9.572 278 HA2 GLY 39 1HA GLY 39 13.148 -11.178 9.867 279 HA3 GLY 39 2HA GLY 39 12.420 -11.050 11.462 280 H GLN 40 H GLN 40 10.699 -9.696 8.670 281 HA GLN 40 HA GLN 40 8.833 -12.016 8.605 282 HB2 GLN 40 1HB GLN 40 8.063 -10.360 10.238 283 HB3 GLN 40 2HB GLN 40 8.057 -9.096 9.001 284 HG2 GLN 40 1HG GLN 40 6.213 -9.988 7.894 285 HG3 GLN 40 2HG GLN 40 6.528 -11.635 8.439 286 HE21 GLN 40 2HE2 GLN 40 4.357 -11.974 9.175 287 HE22 GLN 40 1HE2 GLN 40 3.795 -11.158 10.628 288 H LYS 41 H LYS 41 8.713 -12.729 6.635 289 HA LYS 41 HA LYS 41 9.264 -11.009 4.298 290 HB2 LYS 41 1HB LYS 41 10.233 -13.452 4.914 291 HB3 LYS 41 2HB LYS 41 8.848 -13.973 3.998 292 HG2 LYS 41 1HG LYS 41 10.900 -11.954 2.962 293 HG3 LYS 41 2HG LYS 41 11.035 -13.692 2.759 294 HD2 LYS 41 1HD LYS 41 8.472 -13.168 1.769 295 HD3 LYS 41 2HD LYS 41 9.377 -11.741 1.266 296 HE2 LYS 41 1HE LYS 41 10.143 -14.660 0.759 297 HE3 LYS 41 2HE LYS 41 9.378 -13.595 -0.419 298 HZ1 LYS 41 3HZ LYS 41 11.393 -12.172 -0.301 299 HZ2 LYS 41 1HZ LYS 41 11.748 -13.683 -0.798 300 HZ3 LYS 41 2HZ LYS 41 12.103 -13.236 0.723 301 H LEU 42 H LEU 42 7.625 -10.085 3.241 302 HA LEU 42 HA LEU 42 5.284 -11.648 2.493 303 HB2 LEU 42 1HB LEU 42 3.619 -10.643 3.752 304 HB3 LEU 42 2HB LEU 42 4.889 -10.834 4.911 305 HG LEU 42 HG LEU 42 5.400 -8.283 3.881 306 HD11 LEU 42 1HD1 LEU 42 3.007 -8.687 2.821 307 HD12 LEU 42 2HD1 LEU 42 3.469 -7.159 3.539 308 HD13 LEU 42 3HD1 LEU 42 2.446 -8.329 4.453 309 HD21 LEU 42 3HD2 LEU 42 4.379 -7.478 6.039 310 HD22 LEU 42 1HD2 LEU 42 5.579 -8.757 6.206 311 HD23 LEU 42 2HD2 LEU 42 3.842 -9.145 6.348 312 H THR 43 H THR 43 3.704 -10.253 1.156 313 HA THR 43 HA THR 43 5.167 -8.734 -0.827 314 HB THR 43 HB THR 43 2.135 -8.830 -0.552 315 HG1 THR 43 HG1 THR 43 2.225 -10.748 -1.704 316 HG21 THR 43 3HG2 THR 43 4.104 -8.248 -2.762 317 HG22 THR 43 1HG2 THR 43 2.532 -7.508 -2.401 318 HG23 THR 43 2HG2 THR 43 2.610 -9.096 -3.181 319 H PHE 44 H PHE 44 5.777 -6.615 -0.616 320 HA PHE 44 HA PHE 44 4.068 -4.791 1.029 321 HB2 PHE 44 1HB PHE 44 7.025 -4.647 0.397 322 HB3 PHE 44 2HB PHE 44 6.070 -3.364 1.143 323 HD1 PHE 44 HD2 PHE 44 5.070 -3.621 3.404 324 HD2 PHE 44 HD1 PHE 44 7.734 -6.569 1.735 325 HE1 PHE 44 HE2 PHE 44 5.379 -4.656 5.680 326 HE2 PHE 44 HE1 PHE 44 8.068 -7.539 4.001 327 HZ PHE 44 HZ PHE 44 6.811 -6.636 5.926 328 H VAL 45 H VAL 45 2.808 -3.570 -0.093 329 HA VAL 45 HA VAL 45 3.269 -3.055 -2.982 330 HB VAL 45 HB VAL 45 1.045 -1.955 -2.878 331 HG11 VAL 45 1HG1 VAL 45 -0.184 -4.076 -2.776 332 HG12 VAL 45 2HG1 VAL 45 1.365 -4.312 -3.571 333 HG13 VAL 45 3HG1 VAL 45 1.178 -4.842 -1.910 334 HG21 VAL 45 3HG2 VAL 45 -0.355 -2.060 -0.988 335 HG22 VAL 45 1HG2 VAL 45 0.621 -3.313 -0.189 336 HG23 VAL 45 2HG2 VAL 45 1.205 -1.656 -0.298 337 H THR 46 H THR 46 3.625 -0.990 -3.821 338 HA THR 46 HA THR 46 4.114 1.231 -1.889 339 HB THR 46 HB THR 46 5.654 0.961 -4.483 340 HG1 THR 46 HG1 THR 46 6.237 -0.820 -3.342 341 HG21 THR 46 3HG2 THR 46 5.754 3.167 -3.516 342 HG22 THR 46 1HG2 THR 46 7.267 2.362 -3.062 343 HG23 THR 46 2HG2 THR 46 5.961 2.522 -1.876 344 H MET 47 H MET 47 2.686 2.745 -2.142 345 HA MET 47 HA MET 47 1.553 3.363 -4.850 346 HB2 MET 47 1HB MET 47 0.392 3.903 -2.100 347 HB3 MET 47 2HB MET 47 -0.359 4.347 -3.618 348 HG2 MET 47 1HG MET 47 -1.298 2.343 -3.840 349 HG3 MET 47 2HG MET 47 0.222 1.491 -3.613 350 HE1 MET 47 3HE MET 47 1.187 1.787 -0.629 351 HE2 MET 47 1HE MET 47 0.290 0.389 -0.036 352 HE3 MET 47 2HE MET 47 1.000 0.350 -1.663 353 H ARG 48 H ARG 48 1.055 5.630 -5.167 354 HA ARG 48 HA ARG 48 2.597 7.609 -3.600 355 HB2 ARG 48 1HB ARG 48 3.634 8.578 -5.588 356 HB3 ARG 48 2HB ARG 48 4.107 6.893 -5.391 357 HG2 ARG 48 1HG ARG 48 2.325 6.281 -7.118 358 HG3 ARG 48 2HG ARG 48 2.132 8.014 -7.412 359 HD2 ARG 48 1HD ARG 48 4.603 8.138 -7.917 360 HD3 ARG 48 2HD ARG 48 4.698 6.379 -7.719 361 HE ARG 48 HE ARG 48 2.685 7.280 -9.660 362 HH11 ARG 48 1HH1 ARG 48 6.017 6.271 -9.374 363 HH12 ARG 48 2HH1 ARG 48 6.204 6.077 -11.095 364 HH21 ARG 48 1HH2 ARG 48 2.970 6.983 -11.835 365 HH22 ARG 48 2HH2 ARG 48 4.507 6.443 -12.438 366 H ARG 49 H ARG 49 1.980 9.809 -4.054 367 HA ARG 49 HA ARG 49 -0.882 10.045 -5.004 368 HB2 ARG 49 1HB ARG 49 0.641 11.938 -3.198 369 HB3 ARG 49 2HB ARG 49 -1.042 12.063 -3.695 370 HG2 ARG 49 1HG ARG 49 -1.312 11.250 -1.596 371 HG3 ARG 49 2HG ARG 49 -1.355 9.749 -2.517 372 HD2 ARG 49 1HD ARG 49 0.705 9.036 -1.688 373 HD3 ARG 49 2HD ARG 49 1.322 10.690 -1.525 374 HE ARG 49 HE ARG 49 -0.746 10.445 0.356 375 HH11 ARG 49 1HH1 ARG 49 2.374 8.994 -0.111 376 HH12 ARG 49 2HH1 ARG 49 2.703 8.873 1.598 377 HH21 ARG 49 1HH2 ARG 49 -0.314 10.246 2.538 378 HH22 ARG 49 2HH2 ARG 49 1.177 9.566 3.057 379 H GLU 50 H GLU 50 -1.293 11.176 -6.733 380 HA GLU 50 HA GLU 50 0.743 12.388 -8.385 381 HB2 GLU 50 1HB GLU 50 -2.284 12.638 -8.471 382 HB3 GLU 50 2HB GLU 50 -1.178 13.088 -9.778 383 HG2 GLU 50 1HG GLU 50 -0.445 10.780 -10.049 384 HG3 GLU 50 2HG GLU 50 -1.409 10.245 -8.675 385 H GLU 51 H GLU 51 -1.614 13.734 -6.091 386 HA GLU 51 HA GLU 51 -0.766 16.533 -6.604 387 HB2 GLU 51 1HB GLU 51 -3.159 15.868 -6.242 388 HB3 GLU 51 2HB GLU 51 -2.741 15.387 -4.594 389 HG2 GLU 51 1HG GLU 51 -1.886 17.835 -4.306 390 HG3 GLU 51 2HG GLU 51 -2.736 18.174 -5.810 391 H ASP 52 H ASP 52 -0.737 14.254 -3.801 392 HA ASP 52 HA ASP 52 0.644 16.083 -2.065 393 HB2 ASP 52 1HB ASP 52 -0.703 13.678 -1.743 394 HB3 ASP 52 2HB ASP 52 0.964 13.206 -1.428 395 H GLY 53 H GLY 53 1.807 13.891 -4.508 396 HA2 GLY 53 1HA GLY 53 3.868 13.457 -5.389 397 HA3 GLY 53 2HA GLY 53 4.496 14.844 -4.499 398 H ALA 54 H ALA 54 3.067 12.528 -2.479 399 HA ALA 54 HA ALA 54 5.704 11.578 -1.472 400 HB1 ALA 54 3HB ALA 54 4.264 12.857 0.074 401 HB2 ALA 54 1HB ALA 54 2.934 11.715 -0.193 402 HB3 ALA 54 2HB ALA 54 4.421 11.176 0.619 403 H VAL 55 H VAL 55 5.854 9.383 -0.703 404 HA VAL 55 HA VAL 55 4.139 7.410 -2.158 405 HB VAL 55 HB VAL 55 6.033 5.846 -2.061 406 HG11 VAL 55 1HG1 VAL 55 7.534 7.357 -3.709 407 HG12 VAL 55 2HG1 VAL 55 5.967 6.692 -4.165 408 HG13 VAL 55 3HG1 VAL 55 6.096 8.385 -3.659 409 HG21 VAL 55 3HG2 VAL 55 7.306 6.791 -0.176 410 HG22 VAL 55 1HG2 VAL 55 8.299 6.610 -1.623 411 HG23 VAL 55 2HG2 VAL 55 7.712 8.220 -1.160 412 H VAL 56 H VAL 56 3.574 5.511 -1.113 413 HA VAL 56 HA VAL 56 3.934 5.348 1.827 414 HB VAL 56 HB VAL 56 1.837 6.494 1.558 415 HG11 VAL 56 1HG1 VAL 56 -0.130 5.603 0.538 416 HG12 VAL 56 2HG1 VAL 56 1.150 5.646 -0.689 417 HG13 VAL 56 3HG1 VAL 56 0.699 4.107 0.090 418 HG21 VAL 56 3HG2 VAL 56 0.599 3.998 2.420 419 HG22 VAL 56 1HG2 VAL 56 2.215 4.189 3.115 420 HG23 VAL 56 2HG2 VAL 56 1.003 5.455 3.328 421 H MET 57 H MET 57 4.591 3.428 2.378 422 HA MET 57 HA MET 57 4.146 1.111 0.556 423 HB2 MET 57 1HB MET 57 6.611 2.154 1.698 424 HB3 MET 57 2HB MET 57 6.268 0.590 2.412 425 HG2 MET 57 1HG MET 57 5.800 0.137 -0.309 426 HG3 MET 57 2HG MET 57 7.148 1.267 -0.290 427 HE1 MET 57 3HE MET 57 9.213 0.360 -0.762 428 HE2 MET 57 1HE MET 57 9.826 -1.265 -0.393 429 HE3 MET 57 2HE MET 57 8.511 -1.061 -1.571 430 H VAL 58 H VAL 58 2.942 -0.478 1.356 431 HA VAL 58 HA VAL 58 2.845 -0.885 4.282 432 HB VAL 58 HB VAL 58 0.428 -1.071 4.434 433 HG11 VAL 58 1HG1 VAL 58 -0.313 1.169 4.137 434 HG12 VAL 58 2HG1 VAL 58 1.314 1.158 4.850 435 HG13 VAL 58 3HG1 VAL 58 1.088 1.576 3.130 436 HG21 VAL 58 3HG2 VAL 58 -0.642 0.080 2.167 437 HG22 VAL 58 1HG2 VAL 58 0.532 -1.050 1.542 438 HG23 VAL 58 2HG2 VAL 58 -0.693 -1.645 2.655 439 HA PRO 59 HA PRO 59 2.938 -5.126 3.085 440 HB2 PRO 59 1HB PRO 59 1.866 -6.330 5.286 441 HB3 PRO 59 2HB PRO 59 3.461 -5.570 5.296 442 HG2 PRO 59 1HG PRO 59 0.847 -4.380 6.235 443 HG3 PRO 59 2HG PRO 59 2.427 -4.395 7.095 444 HD2 PRO 59 1HD PRO 59 1.643 -2.254 5.693 445 HD3 PRO 59 2HD PRO 59 3.339 -2.799 5.617 446 H GLU 60 H GLU 60 1.627 -6.029 1.537 447 HA GLU 60 HA GLU 60 -1.259 -5.763 1.436 448 HB2 GLU 60 1HB GLU 60 0.826 -6.852 -0.236 449 HB3 GLU 60 2HB GLU 60 -0.430 -8.062 -0.090 450 HG2 GLU 60 1HG GLU 60 -0.890 -5.154 -0.821 451 HG3 GLU 60 2HG GLU 60 -0.609 -6.420 -2.009 452 H GLY 61 H GLY 61 0.827 -8.464 2.500 453 HA2 GLY 61 1HA GLY 61 -1.487 -10.093 3.353 454 HA3 GLY 61 2HA GLY 61 0.224 -10.518 3.517 455 H LYS 62 H LYS 62 -0.319 -7.458 4.776 456 HA LYS 62 HA LYS 62 -1.023 -8.390 7.532 457 HB2 LYS 62 1HB LYS 62 1.588 -8.047 6.774 458 HB3 LYS 62 2HB LYS 62 1.165 -6.425 7.338 459 HG2 LYS 62 1HG LYS 62 0.641 -7.235 9.529 460 HG3 LYS 62 2HG LYS 62 0.979 -8.910 9.027 461 HD2 LYS 62 1HD LYS 62 3.279 -8.542 8.806 462 HD3 LYS 62 2HD LYS 62 3.113 -6.817 8.450 463 HE2 LYS 62 1HE LYS 62 2.383 -6.445 10.836 464 HE3 LYS 62 2HE LYS 62 2.734 -8.146 11.170 465 HZ1 LYS 62 3HZ LYS 62 4.851 -7.545 11.476 466 HZ2 LYS 62 1HZ LYS 62 4.564 -5.982 11.048 467 HZ3 LYS 62 2HZ LYS 62 4.993 -7.104 9.932 468 H VAL 63 H VAL 63 -1.837 -6.269 5.116 469 HA VAL 63 HA VAL 63 -2.336 -3.799 6.263 470 HB VAL 63 HB VAL 63 -4.408 -3.723 4.945 471 HG11 VAL 63 1HG1 VAL 63 -2.264 -4.507 3.043 472 HG12 VAL 63 2HG1 VAL 63 -3.451 -3.208 2.983 473 HG13 VAL 63 3HG1 VAL 63 -2.083 -3.089 4.102 474 HG21 VAL 63 3HG2 VAL 63 -3.972 -5.954 3.159 475 HG22 VAL 63 1HG2 VAL 63 -4.304 -6.541 4.787 476 HG23 VAL 63 2HG2 VAL 63 -5.433 -5.430 4.001 477 H LEU 64 H LEU 64 -3.995 -6.757 6.956 478 HA LEU 64 HA LEU 64 -6.304 -5.847 8.296 479 HB2 LEU 64 1HB LEU 64 -4.688 -8.299 9.075 480 HB3 LEU 64 2HB LEU 64 -6.418 -8.041 9.231 481 HG LEU 64 HG LEU 64 -4.841 -8.613 6.668 482 HD11 LEU 64 1HD1 LEU 64 -6.253 -10.602 6.615 483 HD12 LEU 64 2HD1 LEU 64 -7.127 -10.069 8.069 484 HD13 LEU 64 3HD1 LEU 64 -5.407 -10.512 8.167 485 HD21 LEU 64 3HD2 LEU 64 -7.158 -8.644 5.585 486 HD22 LEU 64 1HD2 LEU 64 -6.520 -7.038 5.950 487 HD23 LEU 64 2HD2 LEU 64 -7.755 -7.758 7.005 488 H ALA 65 H ALA 65 -2.959 -5.950 9.403 489 HA ALA 65 HA ALA 65 -3.484 -5.492 12.224 490 HB1 ALA 65 3HB ALA 65 -1.067 -5.216 12.356 491 HB2 ALA 65 1HB ALA 65 -1.439 -6.624 11.341 492 HB3 ALA 65 2HB ALA 65 -0.932 -5.090 10.596 493 H ILE 66 H ILE 66 -2.372 -3.395 9.515 494 HA ILE 66 HA ILE 66 -2.354 -0.952 11.075 495 HB ILE 66 HB ILE 66 -2.584 -1.224 8.054 496 HG12 ILE 66 1HG1 ILE 66 0.079 -0.469 8.804 497 HG13 ILE 66 2HG1 ILE 66 -0.321 -1.812 9.855 498 HG21 ILE 66 1HG2 ILE 66 -1.536 1.013 8.001 499 HG22 ILE 66 2HG2 ILE 66 -3.075 1.071 8.856 500 HG23 ILE 66 3HG2 ILE 66 -1.562 1.081 9.776 501 HD11 ILE 66 3HD1 ILE 66 0.748 -2.529 7.788 502 HD12 ILE 66 1HD1 ILE 66 -0.897 -3.187 7.877 503 HD13 ILE 66 2HD1 ILE 66 -0.547 -1.799 6.811 504 H GLY 67 H GLY 67 -4.845 -2.603 9.206 505 HA2 GLY 67 1HA GLY 67 -7.183 -2.387 9.506 506 HA3 GLY 67 2HA GLY 67 -6.961 -0.843 10.327 507 H VAL 68 H VAL 68 -5.326 -1.395 7.275 508 HA VAL 68 HA VAL 68 -7.097 0.650 5.963 509 HB VAL 68 HB VAL 68 -4.274 -0.179 5.156 510 HG11 VAL 68 1HG1 VAL 68 -6.118 2.052 4.300 511 HG12 VAL 68 2HG1 VAL 68 -4.432 1.859 3.779 512 HG13 VAL 68 3HG1 VAL 68 -5.661 0.674 3.302 513 HG21 VAL 68 3HG2 VAL 68 -4.577 2.590 6.069 514 HG22 VAL 68 1HG2 VAL 68 -4.855 1.440 7.380 515 HG23 VAL 68 2HG2 VAL 68 -3.351 1.394 6.437 516 H ARG 69 H ARG 69 -8.470 -0.077 4.437 517 HA ARG 69 HA ARG 69 -7.947 -2.707 3.089 518 HB2 ARG 69 1HB ARG 69 -10.448 -1.092 3.588 519 HB3 ARG 69 2HB ARG 69 -10.418 -2.295 2.314 520 HG2 ARG 69 1HG ARG 69 -9.508 -3.100 5.095 521 HG3 ARG 69 2HG ARG 69 -11.220 -2.934 4.723 522 HD2 ARG 69 1HD ARG 69 -10.716 -5.220 4.404 523 HD3 ARG 69 2HD ARG 69 -10.967 -4.506 2.808 524 HE ARG 69 HE ARG 69 -8.164 -4.741 3.773 525 HH11 ARG 69 1HH1 ARG 69 -10.651 -6.353 1.933 526 HH12 ARG 69 2HH1 ARG 69 -9.511 -7.346 1.071 527 HH21 ARG 69 1HH2 ARG 69 -6.728 -5.952 2.520 528 HH22 ARG 69 2HH2 ARG 69 -7.362 -7.090 1.383 529 H LYS 70 H LYS 70 -6.805 -2.584 1.432 530 HA LYS 70 HA LYS 70 -7.308 -0.608 -0.763 531 HB2 LYS 70 1HB LYS 70 -4.890 -0.662 -1.216 532 HB3 LYS 70 2HB LYS 70 -5.279 0.060 0.341 533 HG2 LYS 70 1HG LYS 70 -4.666 -2.309 1.301 534 HG3 LYS 70 2HG LYS 70 -3.979 -2.635 -0.291 535 HD2 LYS 70 1HD LYS 70 -2.273 -1.922 1.206 536 HD3 LYS 70 2HD LYS 70 -2.450 -0.709 -0.059 537 HE2 LYS 70 1HE LYS 70 -4.281 -0.224 2.162 538 HE3 LYS 70 2HE LYS 70 -2.644 -0.313 2.781 539 HZ1 LYS 70 3HZ LYS 70 -3.565 1.958 1.878 540 HZ2 LYS 70 1HZ LYS 70 -3.194 1.369 0.402 541 HZ3 LYS 70 2HZ LYS 70 -2.016 1.554 1.507 542 H VAL 71 H VAL 71 -8.276 -1.721 -2.302 543 HA VAL 71 HA VAL 71 -7.068 -4.006 -3.583 544 HB VAL 71 HB VAL 71 -9.882 -4.558 -2.551 545 HG11 VAL 71 1HG1 VAL 71 -9.098 -6.971 -3.037 546 HG12 VAL 71 2HG1 VAL 71 -9.365 -5.943 -4.426 547 HG13 VAL 71 3HG1 VAL 71 -7.706 -6.228 -3.841 548 HG21 VAL 71 3HG2 VAL 71 -8.526 -4.571 -0.488 549 HG22 VAL 71 1HG2 VAL 71 -9.094 -6.172 -0.936 550 HG23 VAL 71 2HG2 VAL 71 -7.405 -5.735 -1.251 551 H ALA 72 H ALA 72 -8.208 -4.444 -5.605 552 HA ALA 72 HA ALA 72 -9.196 -2.339 -7.038 553 HB1 ALA 72 3HB ALA 72 -10.317 -5.050 -7.667 554 HB2 ALA 72 1HB ALA 72 -9.470 -3.870 -8.702 555 HB3 ALA 72 2HB ALA 72 -8.553 -4.894 -7.583 556 H SER 73 H SER 73 -11.212 -4.592 -5.118 557 HA SER 73 HA SER 73 -13.704 -3.146 -5.716 558 HB2 SER 73 1HB SER 73 -14.660 -4.848 -4.151 559 HB3 SER 73 2HB SER 73 -13.823 -5.540 -5.556 560 HG SER 73 HG SER 73 -13.353 -6.157 -3.088 561 H ALA 74 H ALA 74 -11.567 -3.614 -2.900 562 HA ALA 74 HA ALA 74 -13.126 -2.531 -0.832 563 HB1 ALA 74 3HB ALA 74 -11.109 -2.221 0.359 564 HB2 ALA 74 1HB ALA 74 -10.994 -3.749 -0.533 565 HB3 ALA 74 2HB ALA 74 -10.118 -2.299 -1.093 566 H GLU 75 H GLU 75 -10.583 -0.851 -2.556 567 HA GLU 75 HA GLU 75 -11.643 1.565 -3.325 568 HB2 GLU 75 1HB GLU 75 -10.846 1.572 -0.427 569 HB3 GLU 75 2HB GLU 75 -10.053 2.775 -1.419 570 HG2 GLU 75 1HG GLU 75 -11.753 4.094 -0.980 571 HG3 GLU 75 2HG GLU 75 -12.553 3.238 -2.275 Start of MODEL 16 1 H1 ALA 1 1H ALA 1 -9.198 15.190 -7.647 2 H2 ALA 1 2H ALA 1 -9.316 16.776 -8.043 3 H3 ALA 1 3H ALA 1 -9.071 16.332 -6.482 4 HA ALA 1 HA ALA 1 -11.206 15.285 -6.359 5 HB1 ALA 1 3HB ALA 1 -11.805 18.042 -7.446 6 HB2 ALA 1 1HB ALA 1 -12.450 17.211 -6.016 7 HB3 ALA 1 2HB ALA 1 -10.815 17.885 -5.983 8 H GLY 2 H GLY 2 -12.875 14.278 -7.403 9 HA2 GLY 2 1HA GLY 2 -14.483 14.500 -9.358 10 HA3 GLY 2 2HA GLY 2 -13.064 14.482 -10.400 11 H HIS 3 H HIS 3 -11.571 12.561 -10.014 12 HA HIS 3 HA HIS 3 -13.109 10.055 -10.250 13 HB2 HIS 3 1HB HIS 3 -10.111 10.561 -10.481 14 HB3 HIS 3 2HB HIS 3 -10.951 9.076 -10.914 15 HD1 HIS 3 HD1 HIS 3 -12.846 9.432 -13.021 16 HD2 HIS 3 HD2 HIS 3 -9.848 12.346 -12.370 17 HE1 HIS 3 HE1 HIS 3 -12.727 10.854 -15.168 18 HE2 HIS 3 HE2 HIS 3 -10.898 12.623 -14.767 19 H MET 4 H MET 4 -13.639 8.913 -8.515 20 HA MET 4 HA MET 4 -11.812 8.816 -6.147 21 HB2 MET 4 1HB MET 4 -14.828 8.802 -6.390 22 HB3 MET 4 2HB MET 4 -14.082 7.926 -5.062 23 HG2 MET 4 1HG MET 4 -12.692 10.043 -4.620 24 HG3 MET 4 2HG MET 4 -13.824 10.882 -5.676 25 HE1 MET 4 3HE MET 4 -16.765 9.730 -4.825 26 HE2 MET 4 1HE MET 4 -17.091 10.977 -3.602 27 HE3 MET 4 2HE MET 4 -16.249 11.413 -5.104 28 HA PRO 5 HA PRO 5 -11.129 4.503 -6.636 29 HB2 PRO 5 1HB PRO 5 -11.010 3.560 -4.062 30 HB3 PRO 5 2HB PRO 5 -9.771 4.634 -4.764 31 HG2 PRO 5 1HG PRO 5 -12.139 5.419 -3.039 32 HG3 PRO 5 2HG PRO 5 -10.431 5.915 -2.863 33 HD2 PRO 5 1HD PRO 5 -12.189 7.509 -4.073 34 HD3 PRO 5 2HD PRO 5 -10.523 7.364 -4.691 35 H GLU 6 H GLU 6 -12.518 3.113 -7.454 36 HA GLU 6 HA GLU 6 -14.608 1.870 -5.870 37 HB2 GLU 6 1HB GLU 6 -16.401 2.254 -7.534 38 HB3 GLU 6 2HB GLU 6 -15.953 3.696 -6.651 39 HG2 GLU 6 1HG GLU 6 -15.267 4.813 -8.486 40 HG3 GLU 6 2HG GLU 6 -14.442 3.430 -9.184 41 H GLY 7 H GLY 7 -15.420 -0.078 -6.834 42 HA2 GLY 7 1HA GLY 7 -15.361 -1.289 -9.152 43 HA3 GLY 7 2HA GLY 7 -13.623 -1.337 -8.850 44 H SER 8 H SER 8 -15.596 -3.499 -9.132 45 HA SER 8 HA SER 8 -14.956 -5.107 -6.703 46 HB2 SER 8 1HB SER 8 -17.754 -4.842 -7.876 47 HB3 SER 8 2HB SER 8 -17.258 -5.940 -6.576 48 HG SER 8 HG SER 8 -18.246 -4.001 -5.806 49 H ALA 9 H ALA 9 -13.582 -6.470 -7.786 50 HA ALA 9 HA ALA 9 -14.759 -8.241 -9.888 51 HB1 ALA 9 3HB ALA 9 -12.061 -6.832 -10.075 52 HB2 ALA 9 1HB ALA 9 -12.653 -8.095 -11.178 53 HB3 ALA 9 2HB ALA 9 -13.494 -6.537 -11.081 54 H SER 10 H SER 10 -11.569 -7.975 -8.292 55 HA SER 10 HA SER 10 -11.847 -10.769 -7.255 56 HB2 SER 10 1HB SER 10 -9.490 -11.114 -7.626 57 HB3 SER 10 2HB SER 10 -10.254 -10.642 -9.146 58 HG SER 10 HG SER 10 -9.334 -8.641 -9.001 59 H LEU 11 H LEU 11 -10.078 -11.147 -5.513 60 HA LEU 11 HA LEU 11 -10.403 -9.044 -3.421 61 HB2 LEU 11 1HB LEU 11 -9.764 -11.991 -3.094 62 HB3 LEU 11 2HB LEU 11 -10.128 -10.834 -1.817 63 HG LEU 11 HG LEU 11 -12.057 -11.887 -3.927 64 HD11 LEU 11 1HD1 LEU 11 -12.025 -12.122 -0.890 65 HD12 LEU 11 2HD1 LEU 11 -11.539 -13.397 -2.031 66 HD13 LEU 11 3HD1 LEU 11 -13.220 -12.837 -1.997 67 HD21 LEU 11 3HD2 LEU 11 -12.537 -9.785 -1.767 68 HD22 LEU 11 1HD2 LEU 11 -13.812 -10.605 -2.698 69 HD23 LEU 11 2HD2 LEU 11 -12.666 -9.553 -3.525 70 H GLN 12 H GLN 12 -8.226 -9.298 -5.576 71 HA GLN 12 HA GLN 12 -5.862 -8.905 -3.789 72 HB2 GLN 12 1HB GLN 12 -6.176 -10.585 -6.254 73 HB3 GLN 12 2HB GLN 12 -4.732 -9.582 -6.202 74 HG2 GLN 12 1HG GLN 12 -4.209 -10.482 -3.923 75 HG3 GLN 12 2HG GLN 12 -5.559 -11.614 -4.097 76 HE21 GLN 12 2HE2 GLN 12 -2.693 -12.287 -3.745 77 HE22 GLN 12 1HE2 GLN 12 -2.249 -13.159 -5.209 78 H LEU 13 H LEU 13 -4.123 -7.655 -4.943 79 HA LEU 13 HA LEU 13 -5.230 -5.348 -6.483 80 HB2 LEU 13 1HB LEU 13 -4.432 -5.054 -3.967 81 HB3 LEU 13 2HB LEU 13 -2.825 -5.180 -4.677 82 HG LEU 13 HG LEU 13 -4.024 -3.329 -6.346 83 HD11 LEU 13 1HD1 LEU 13 -6.027 -3.327 -4.830 84 HD12 LEU 13 2HD1 LEU 13 -5.266 -1.750 -5.057 85 HD13 LEU 13 3HD1 LEU 13 -4.995 -2.656 -3.552 86 HD21 LEU 13 3HD2 LEU 13 -2.318 -2.974 -3.882 87 HD22 LEU 13 1HD2 LEU 13 -2.834 -1.597 -4.875 88 HD23 LEU 13 2HD2 LEU 13 -1.870 -2.896 -5.595 89 H ALA 14 H ALA 14 -3.769 -4.415 -8.023 90 HA ALA 14 HA ALA 14 -1.251 -5.775 -8.688 91 HB1 ALA 14 3HB ALA 14 -2.974 -7.120 -9.862 92 HB2 ALA 14 1HB ALA 14 -3.597 -5.652 -10.645 93 HB3 ALA 14 2HB ALA 14 -1.961 -6.245 -11.017 94 H VAL 15 H VAL 15 -0.351 -4.666 -10.796 95 HA VAL 15 HA VAL 15 0.047 -1.888 -10.284 96 HB VAL 15 HB VAL 15 0.595 -3.389 -12.865 97 HG11 VAL 15 1HG1 VAL 15 0.635 -0.966 -13.232 98 HG12 VAL 15 2HG1 VAL 15 1.662 -0.735 -11.793 99 HG13 VAL 15 3HG1 VAL 15 2.279 -1.591 -13.224 100 HG21 VAL 15 3HG2 VAL 15 2.055 -3.166 -10.232 101 HG22 VAL 15 1HG2 VAL 15 1.949 -4.524 -11.373 102 HG23 VAL 15 2HG2 VAL 15 3.017 -3.161 -11.718 103 H GLY 16 H GLY 16 -0.974 -0.104 -10.853 104 HA2 GLY 16 1HA GLY 16 -2.319 1.360 -12.070 105 HA3 GLY 16 2HA GLY 16 -2.915 0.034 -13.062 106 H ASP 17 H ASP 17 -3.349 -1.098 -9.969 107 HA ASP 17 HA ASP 17 -6.183 -0.477 -9.923 108 HB2 ASP 17 1HB ASP 17 -4.807 -2.578 -9.078 109 HB3 ASP 17 2HB ASP 17 -4.695 -1.642 -7.584 110 H ARG 18 H ARG 18 -7.071 0.152 -7.607 111 HA ARG 18 HA ARG 18 -5.790 2.749 -6.777 112 HB2 ARG 18 1HB ARG 18 -8.150 2.543 -8.158 113 HB3 ARG 18 2HB ARG 18 -8.758 2.376 -6.520 114 HG2 ARG 18 1HG ARG 18 -8.886 4.672 -7.028 115 HG3 ARG 18 2HG ARG 18 -7.480 4.549 -5.958 116 HD2 ARG 18 1HD ARG 18 -5.959 4.805 -7.810 117 HD3 ARG 18 2HD ARG 18 -7.247 4.476 -8.988 118 HE ARG 18 HE ARG 18 -7.851 6.813 -7.391 119 HH11 ARG 18 1HH1 ARG 18 -6.002 5.840 -10.172 120 HH12 ARG 18 2HH1 ARG 18 -6.076 7.424 -10.906 121 HH21 ARG 18 1HH2 ARG 18 -7.983 8.795 -8.387 122 HH22 ARG 18 2HH2 ARG 18 -7.156 9.050 -9.893 123 H VAL 19 H VAL 19 -5.724 3.298 -4.651 124 HA VAL 19 HA VAL 19 -6.929 1.459 -2.639 125 HB VAL 19 HB VAL 19 -4.934 1.320 -1.338 126 HG11 VAL 19 1HG1 VAL 19 -3.584 -0.126 -2.706 127 HG12 VAL 19 2HG1 VAL 19 -5.283 -0.328 -3.168 128 HG13 VAL 19 3HG1 VAL 19 -4.183 0.612 -4.203 129 HG21 VAL 19 3HG2 VAL 19 -3.798 3.379 -1.698 130 HG22 VAL 19 1HG2 VAL 19 -2.724 2.105 -2.247 131 HG23 VAL 19 2HG2 VAL 19 -3.618 3.066 -3.446 132 H VAL 20 H VAL 20 -7.541 2.405 -0.745 133 HA VAL 20 HA VAL 20 -6.899 5.246 -0.289 134 HB VAL 20 HB VAL 20 -8.860 5.352 -1.576 135 HG11 VAL 20 1HG1 VAL 20 -9.958 3.312 -1.539 136 HG12 VAL 20 2HG1 VAL 20 -9.994 3.228 0.225 137 HG13 VAL 20 3HG1 VAL 20 -11.071 4.345 -0.635 138 HG21 VAL 20 3HG2 VAL 20 -10.421 6.542 -0.131 139 HG22 VAL 20 1HG2 VAL 20 -9.585 5.922 1.301 140 HG23 VAL 20 2HG2 VAL 20 -8.745 6.992 0.166 141 H TYR 21 H TYR 21 -6.773 5.841 1.771 142 HA TYR 21 HA TYR 21 -6.596 3.729 3.822 143 HB2 TYR 21 1HB TYR 21 -5.694 6.521 3.408 144 HB3 TYR 21 2HB TYR 21 -6.229 6.192 5.039 145 HD1 TYR 21 HD1 TYR 21 -4.289 4.049 2.559 146 HD2 TYR 21 HD2 TYR 21 -4.418 5.960 6.444 147 HE1 TYR 21 HE1 TYR 21 -2.084 3.032 3.160 148 HE2 TYR 21 HE2 TYR 21 -2.240 4.980 7.003 149 HH TYR 21 HH TYR 21 -0.544 3.621 6.342 150 HA PRO 22 HA PRO 22 -10.540 4.266 5.690 151 HB2 PRO 22 1HB PRO 22 -10.097 3.922 8.364 152 HB3 PRO 22 2HB PRO 22 -9.918 2.612 7.161 153 HG2 PRO 22 1HG PRO 22 -7.741 4.365 8.334 154 HG3 PRO 22 2HG PRO 22 -7.754 2.581 8.165 155 HD2 PRO 22 1HD PRO 22 -6.520 4.199 6.355 156 HD3 PRO 22 2HD PRO 22 -7.372 2.712 5.833 157 H ASN 23 H ASN 23 -8.013 6.463 6.733 158 HA ASN 23 HA ASN 23 -9.873 8.697 6.791 159 HB2 ASN 23 1HB ASN 23 -9.852 7.396 9.147 160 HB3 ASN 23 2HB ASN 23 -8.402 8.328 9.417 161 HD21 ASN 23 2HD2 ASN 23 -11.859 8.351 9.274 162 HD22 ASN 23 1HD2 ASN 23 -12.059 10.064 9.630 163 H GLN 24 H GLN 24 -7.927 8.515 4.990 164 HA GLN 24 HA GLN 24 -5.956 10.587 5.797 165 HB2 GLN 24 1HB GLN 24 -5.193 8.003 6.040 166 HB3 GLN 24 2HB GLN 24 -4.700 8.273 4.372 167 HG2 GLN 24 1HG GLN 24 -3.862 10.070 6.681 168 HG3 GLN 24 2HG GLN 24 -3.001 8.604 6.236 169 HE21 GLN 24 2HE2 GLN 24 -3.501 11.976 5.345 170 HE22 GLN 24 1HE2 GLN 24 -2.334 11.913 4.028 171 H GLY 25 H GLY 25 -6.633 8.427 2.981 172 HA2 GLY 25 1HA GLY 25 -7.803 10.115 1.207 173 HA3 GLY 25 2HA GLY 25 -6.105 10.579 1.070 174 H VAL 26 H VAL 26 -6.979 9.793 -1.178 175 HA VAL 26 HA VAL 26 -6.647 6.894 -1.650 176 HB VAL 26 HB VAL 26 -8.424 8.226 -2.765 177 HG11 VAL 26 1HG1 VAL 26 -7.953 9.629 -4.676 178 HG12 VAL 26 2HG1 VAL 26 -7.133 10.302 -3.261 179 HG13 VAL 26 3HG1 VAL 26 -6.204 9.404 -4.481 180 HG21 VAL 26 3HG2 VAL 26 -8.228 7.219 -4.963 181 HG22 VAL 26 1HG2 VAL 26 -6.508 6.891 -4.709 182 HG23 VAL 26 2HG2 VAL 26 -7.738 6.080 -3.708 183 H CYS 27 H CYS 27 -5.063 6.011 -3.005 184 HA CYS 27 HA CYS 27 -2.689 7.662 -3.708 185 HB2 CYS 27 1HB CYS 27 -2.357 4.842 -2.649 186 HB3 CYS 27 2HB CYS 27 -1.154 6.092 -2.868 187 HG CYS 27 HG CYS 27 -3.417 5.538 -0.547 188 H ARG 28 H ARG 28 -1.229 6.378 -5.241 189 HA ARG 28 HA ARG 28 -2.876 4.833 -7.181 190 HB2 ARG 28 1HB ARG 28 -2.317 7.430 -7.514 191 HB3 ARG 28 2HB ARG 28 -0.804 6.821 -8.154 192 HG2 ARG 28 1HG ARG 28 -3.472 5.732 -9.144 193 HG3 ARG 28 2HG ARG 28 -2.913 7.316 -9.671 194 HD2 ARG 28 1HD ARG 28 -0.851 6.349 -10.573 195 HD3 ARG 28 2HD ARG 28 -1.380 4.722 -10.090 196 HE ARG 28 HE ARG 28 -3.496 5.647 -11.598 197 HH11 ARG 28 1HH1 ARG 28 -0.109 5.353 -12.380 198 HH12 ARG 28 2HH1 ARG 28 -0.424 5.226 -14.091 199 HH21 ARG 28 1HH2 ARG 28 -3.845 5.463 -13.767 200 HH22 ARG 28 2HH2 ARG 28 -2.495 5.274 -14.841 201 H VAL 29 H VAL 29 -2.095 2.946 -7.722 202 HA VAL 29 HA VAL 29 0.369 1.905 -6.686 203 HB VAL 29 HB VAL 29 -1.381 0.745 -8.880 204 HG11 VAL 29 1HG1 VAL 29 -0.324 -1.418 -8.094 205 HG12 VAL 29 2HG1 VAL 29 0.845 -0.327 -8.856 206 HG13 VAL 29 3HG1 VAL 29 0.787 -0.481 -7.090 207 HG21 VAL 29 3HG2 VAL 29 -1.330 -0.221 -6.037 208 HG22 VAL 29 1HG2 VAL 29 -2.405 1.124 -6.462 209 HG23 VAL 29 2HG2 VAL 29 -2.567 -0.444 -7.270 210 H SER 30 H SER 30 2.334 2.193 -7.347 211 HA SER 30 HA SER 30 2.917 2.926 -10.204 212 HB2 SER 30 1HB SER 30 4.451 3.542 -7.657 213 HB3 SER 30 2HB SER 30 4.977 3.959 -9.302 214 HG SER 30 HG SER 30 3.552 5.481 -7.843 215 H ALA 31 H ALA 31 4.055 0.907 -7.473 216 HA ALA 31 HA ALA 31 4.890 -1.225 -9.268 217 HB1 ALA 31 3HB ALA 31 6.899 0.414 -7.642 218 HB2 ALA 31 1HB ALA 31 7.237 -1.238 -8.213 219 HB3 ALA 31 2HB ALA 31 6.932 0.058 -9.381 220 H ILE 32 H ILE 32 5.594 -3.157 -7.943 221 HA ILE 32 HA ILE 32 4.980 -3.144 -5.071 222 HB ILE 32 HB ILE 32 3.474 -5.045 -6.931 223 HG12 ILE 32 1HG1 ILE 32 2.381 -2.697 -5.317 224 HG13 ILE 32 2HG1 ILE 32 2.418 -2.864 -7.075 225 HG21 ILE 32 1HG2 ILE 32 3.568 -4.767 -3.896 226 HG22 ILE 32 2HG2 ILE 32 2.372 -5.755 -4.753 227 HG23 ILE 32 3HG2 ILE 32 4.069 -6.150 -4.879 228 HD11 ILE 32 3HD1 ILE 32 0.217 -3.312 -6.522 229 HD12 ILE 32 1HD1 ILE 32 0.916 -4.921 -6.785 230 HD13 ILE 32 2HD1 ILE 32 0.638 -4.318 -5.131 231 H ASP 33 H ASP 33 6.256 -4.650 -3.997 232 HA ASP 33 HA ASP 33 7.421 -6.918 -5.433 233 HB2 ASP 33 1HB ASP 33 9.735 -6.419 -4.914 234 HB3 ASP 33 2HB ASP 33 9.055 -5.199 -5.964 235 H VAL 34 H VAL 34 8.862 -8.237 -3.911 236 HA VAL 34 HA VAL 34 7.625 -8.359 -1.189 237 HB VAL 34 HB VAL 34 8.196 -10.738 -1.132 238 HG11 VAL 34 1HG1 VAL 34 5.960 -10.243 -1.704 239 HG12 VAL 34 2HG1 VAL 34 6.363 -9.858 -3.393 240 HG13 VAL 34 3HG1 VAL 34 6.463 -11.525 -2.790 241 HG21 VAL 34 3HG2 VAL 34 10.021 -10.905 -2.755 242 HG22 VAL 34 1HG2 VAL 34 8.707 -11.994 -3.185 243 HG23 VAL 34 2HG2 VAL 34 8.913 -10.478 -4.082 244 H LYS 35 H LYS 35 8.904 -8.431 0.589 245 HA LYS 35 HA LYS 35 11.754 -8.973 0.429 246 HB2 LYS 35 1HB LYS 35 12.497 -6.812 1.389 247 HB3 LYS 35 2HB LYS 35 11.907 -6.659 -0.254 248 HG2 LYS 35 1HG LYS 35 9.886 -5.600 0.428 249 HG3 LYS 35 2HG LYS 35 10.107 -6.036 2.125 250 HD2 LYS 35 1HD LYS 35 12.211 -4.348 0.754 251 HD3 LYS 35 2HD LYS 35 10.694 -3.593 1.269 252 HE2 LYS 35 1HE LYS 35 11.017 -4.029 3.521 253 HE3 LYS 35 2HE LYS 35 12.180 -5.330 3.249 254 HZ1 LYS 35 3HZ LYS 35 12.962 -2.921 3.966 255 HZ2 LYS 35 1HZ LYS 35 12.960 -2.651 2.358 256 HZ3 LYS 35 2HZ LYS 35 13.884 -3.843 2.989 257 H GLU 36 H GLU 36 12.821 -8.734 2.559 258 HA GLU 36 HA GLU 36 11.024 -9.555 4.799 259 HB2 GLU 36 1HB GLU 36 13.568 -10.578 3.855 260 HB3 GLU 36 2HB GLU 36 13.821 -9.850 5.432 261 HG2 GLU 36 1HG GLU 36 11.524 -11.296 5.898 262 HG3 GLU 36 2HG GLU 36 12.335 -12.290 4.684 263 H VAL 37 H VAL 37 10.463 -7.953 6.114 264 HA VAL 37 HA VAL 37 12.582 -6.003 6.972 265 HB VAL 37 HB VAL 37 10.893 -4.970 5.468 266 HG11 VAL 37 1HG1 VAL 37 8.924 -6.275 6.256 267 HG12 VAL 37 2HG1 VAL 37 8.913 -5.318 7.747 268 HG13 VAL 37 3HG1 VAL 37 8.654 -4.519 6.184 269 HG21 VAL 37 3HG2 VAL 37 11.338 -3.036 6.468 270 HG22 VAL 37 1HG2 VAL 37 10.299 -3.403 7.850 271 HG23 VAL 37 2HG2 VAL 37 11.990 -3.923 7.849 272 H ALA 38 H ALA 38 12.797 -5.701 9.144 273 HA ALA 38 HA ALA 38 12.793 -6.340 11.329 274 HB1 ALA 38 3HB ALA 38 10.960 -4.673 11.132 275 HB2 ALA 38 1HB ALA 38 9.793 -6.005 10.994 276 HB3 ALA 38 2HB ALA 38 10.734 -5.795 12.485 277 H GLY 39 H GLY 39 12.756 -8.653 9.539 278 HA2 GLY 39 1HA GLY 39 12.886 -10.956 9.894 279 HA3 GLY 39 2HA GLY 39 12.081 -10.780 11.445 280 H GLN 40 H GLN 40 10.556 -9.483 8.512 281 HA GLN 40 HA GLN 40 8.632 -11.756 8.393 282 HB2 GLN 40 1HB GLN 40 7.823 -10.048 9.962 283 HB3 GLN 40 2HB GLN 40 7.946 -8.807 8.717 284 HG2 GLN 40 1HG GLN 40 5.998 -9.357 7.800 285 HG3 GLN 40 2HG GLN 40 6.355 -11.086 7.756 286 HE21 GLN 40 2HE2 GLN 40 4.328 -11.861 8.505 287 HE22 GLN 40 1HE2 GLN 40 3.705 -11.406 10.085 288 H LYS 41 H LYS 41 8.647 -12.487 6.394 289 HA LYS 41 HA LYS 41 9.268 -10.720 4.101 290 HB2 LYS 41 1HB LYS 41 10.305 -13.147 4.638 291 HB3 LYS 41 2HB LYS 41 8.888 -13.675 3.748 292 HG2 LYS 41 1HG LYS 41 9.535 -12.024 1.906 293 HG3 LYS 41 2HG LYS 41 11.036 -11.731 2.776 294 HD2 LYS 41 1HD LYS 41 11.987 -13.595 1.920 295 HD3 LYS 41 2HD LYS 41 10.669 -14.600 2.523 296 HE2 LYS 41 1HE LYS 41 9.360 -13.540 0.437 297 HE3 LYS 41 2HE LYS 41 10.999 -13.280 -0.174 298 HZ1 LYS 41 3HZ LYS 41 11.377 -15.700 0.152 299 HZ2 LYS 41 1HZ LYS 41 10.140 -15.432 -0.881 300 HZ3 LYS 41 2HZ LYS 41 9.832 -15.892 0.651 301 H LEU 42 H LEU 42 7.679 -9.846 2.938 302 HA LEU 42 HA LEU 42 5.392 -11.398 2.044 303 HB2 LEU 42 1HB LEU 42 3.648 -10.435 3.246 304 HB3 LEU 42 2HB LEU 42 4.843 -10.735 4.463 305 HG LEU 42 HG LEU 42 5.467 -8.142 3.591 306 HD11 LEU 42 1HD1 LEU 42 3.062 -8.429 2.500 307 HD12 LEU 42 2HD1 LEU 42 3.575 -6.958 3.305 308 HD13 LEU 42 3HD1 LEU 42 2.511 -8.141 4.153 309 HD21 LEU 42 3HD2 LEU 42 3.889 -9.104 5.991 310 HD22 LEU 42 1HD2 LEU 42 4.474 -7.438 5.775 311 HD23 LEU 42 2HD2 LEU 42 5.639 -8.761 5.831 312 H THR 43 H THR 43 3.795 -9.903 0.796 313 HA THR 43 HA THR 43 5.300 -8.248 -1.071 314 HB THR 43 HB THR 43 2.280 -8.565 -0.902 315 HG1 THR 43 HG1 THR 43 2.601 -10.241 -2.397 316 HG21 THR 43 3HG2 THR 43 2.983 -6.816 -2.430 317 HG22 THR 43 1HG2 THR 43 2.544 -8.224 -3.405 318 HG23 THR 43 2HG2 THR 43 4.255 -7.855 -3.124 319 H PHE 44 H PHE 44 5.805 -6.195 -0.764 320 HA PHE 44 HA PHE 44 4.040 -4.421 0.885 321 HB2 PHE 44 1HB PHE 44 7.006 -4.203 0.275 322 HB3 PHE 44 2HB PHE 44 6.027 -2.974 1.074 323 HD1 PHE 44 HD2 PHE 44 5.052 -3.340 3.323 324 HD2 PHE 44 HD1 PHE 44 7.744 -6.199 1.513 325 HE1 PHE 44 HE2 PHE 44 5.355 -4.480 5.540 326 HE2 PHE 44 HE1 PHE 44 8.023 -7.304 3.710 327 HZ PHE 44 HZ PHE 44 6.764 -6.503 5.681 328 H VAL 45 H VAL 45 2.746 -3.245 -0.328 329 HA VAL 45 HA VAL 45 3.133 -2.786 -3.175 330 HB VAL 45 HB VAL 45 1.245 -1.356 -3.086 331 HG11 VAL 45 1HG1 VAL 45 0.559 -3.538 -1.113 332 HG12 VAL 45 2HG1 VAL 45 -0.417 -2.889 -2.444 333 HG13 VAL 45 3HG1 VAL 45 0.984 -3.914 -2.797 334 HG21 VAL 45 3HG2 VAL 45 1.374 -1.530 -0.048 335 HG22 VAL 45 1HG2 VAL 45 1.608 -0.067 -1.015 336 HG23 VAL 45 2HG2 VAL 45 0.024 -0.855 -0.950 337 H THR 46 H THR 46 3.739 -0.835 -4.302 338 HA THR 46 HA THR 46 4.902 1.302 -2.576 339 HB THR 46 HB THR 46 6.100 0.753 -5.274 340 HG1 THR 46 HG1 THR 46 6.754 -0.626 -2.882 341 HG21 THR 46 3HG2 THR 46 6.786 2.751 -3.973 342 HG22 THR 46 1HG2 THR 46 8.120 1.588 -4.103 343 HG23 THR 46 2HG2 THR 46 7.205 1.713 -2.590 344 H MET 47 H MET 47 3.580 2.949 -2.675 345 HA MET 47 HA MET 47 2.592 3.919 -5.335 346 HB2 MET 47 1HB MET 47 1.185 3.968 -2.642 347 HB3 MET 47 2HB MET 47 0.568 4.691 -4.118 348 HG2 MET 47 1HG MET 47 -0.413 2.776 -4.669 349 HG3 MET 47 2HG MET 47 1.139 1.933 -4.681 350 HE1 MET 47 3HE MET 47 -1.757 0.701 -4.026 351 HE2 MET 47 1HE MET 47 -0.248 -0.229 -4.169 352 HE3 MET 47 2HE MET 47 -1.293 -0.443 -2.749 353 H ARG 48 H ARG 48 2.145 6.198 -5.348 354 HA ARG 48 HA ARG 48 3.515 7.921 -3.321 355 HB2 ARG 48 1HB ARG 48 4.174 7.650 -6.258 356 HB3 ARG 48 2HB ARG 48 4.282 9.244 -5.515 357 HG2 ARG 48 1HG ARG 48 6.076 8.756 -4.230 358 HG3 ARG 48 2HG ARG 48 5.625 7.077 -3.975 359 HD2 ARG 48 1HD ARG 48 6.632 6.283 -5.854 360 HD3 ARG 48 2HD ARG 48 6.446 7.802 -6.751 361 HE ARG 48 HE ARG 48 8.197 8.551 -4.803 362 HH11 ARG 48 1HH1 ARG 48 8.355 5.866 -7.029 363 HH12 ARG 48 2HH1 ARG 48 10.085 5.991 -7.202 364 HH21 ARG 48 1HH2 ARG 48 10.381 8.692 -5.082 365 HH22 ARG 48 2HH2 ARG 48 11.193 7.563 -6.122 366 H ARG 49 H ARG 49 2.038 9.205 -2.574 367 HA ARG 49 HA ARG 49 -0.437 9.906 -4.024 368 HB2 ARG 49 1HB ARG 49 0.867 10.859 -1.434 369 HB3 ARG 49 2HB ARG 49 -0.659 11.519 -2.042 370 HG2 ARG 49 1HG ARG 49 -1.804 9.469 -1.801 371 HG3 ARG 49 2HG ARG 49 -0.325 8.530 -1.656 372 HD2 ARG 49 1HD ARG 49 -1.527 8.805 0.525 373 HD3 ARG 49 2HD ARG 49 0.144 9.353 0.529 374 HE ARG 49 HE ARG 49 -0.565 11.448 1.090 375 HH11 ARG 49 1HH1 ARG 49 -3.360 9.969 -0.439 376 HH12 ARG 49 2HH1 ARG 49 -4.353 11.358 -0.099 377 HH21 ARG 49 1HH2 ARG 49 -1.888 13.169 1.435 378 HH22 ARG 49 2HH2 ARG 49 -3.571 13.067 1.031 379 H GLU 50 H GLU 50 -0.157 11.073 -5.809 380 HA GLU 50 HA GLU 50 1.792 13.159 -6.181 381 HB2 GLU 50 1HB GLU 50 0.722 13.585 -8.264 382 HB3 GLU 50 2HB GLU 50 0.788 11.841 -8.004 383 HG2 GLU 50 1HG GLU 50 -1.613 11.928 -7.218 384 HG3 GLU 50 2HG GLU 50 -1.653 13.636 -7.666 385 H GLU 51 H GLU 51 -1.149 13.188 -4.492 386 HA GLU 51 HA GLU 51 -2.072 15.851 -4.709 387 HB2 GLU 51 1HB GLU 51 -2.086 13.993 -2.289 388 HB3 GLU 51 2HB GLU 51 -3.080 15.435 -2.471 389 HG2 GLU 51 1HG GLU 51 -3.227 12.897 -4.156 390 HG3 GLU 51 2HG GLU 51 -4.369 13.407 -2.923 391 H ASP 52 H ASP 52 0.409 14.520 -2.537 392 HA ASP 52 HA ASP 52 1.378 17.301 -1.991 393 HB2 ASP 52 1HB ASP 52 0.043 16.230 -0.088 394 HB3 ASP 52 2HB ASP 52 1.393 15.111 0.096 395 H GLY 53 H GLY 53 2.267 14.116 -2.987 396 HA2 GLY 53 1HA GLY 53 4.251 13.441 -3.951 397 HA3 GLY 53 2HA GLY 53 5.063 14.899 -3.384 398 H ALA 54 H ALA 54 3.451 12.036 -1.914 399 HA ALA 54 HA ALA 54 5.913 11.464 -0.320 400 HB1 ALA 54 3HB ALA 54 4.340 12.764 1.096 401 HB2 ALA 54 1HB ALA 54 3.087 11.532 0.819 402 HB3 ALA 54 2HB ALA 54 4.578 11.110 1.689 403 H VAL 55 H VAL 55 6.563 9.363 -0.443 404 HA VAL 55 HA VAL 55 5.068 7.379 -1.811 405 HB VAL 55 HB VAL 55 7.567 7.609 -1.675 406 HG11 VAL 55 1HG1 VAL 55 7.772 7.913 0.817 407 HG12 VAL 55 2HG1 VAL 55 7.350 6.196 1.010 408 HG13 VAL 55 3HG1 VAL 55 8.819 6.657 0.136 409 HG21 VAL 55 3HG2 VAL 55 6.587 5.629 -2.585 410 HG22 VAL 55 1HG2 VAL 55 8.002 5.192 -1.625 411 HG23 VAL 55 2HG2 VAL 55 6.372 4.918 -0.970 412 H VAL 56 H VAL 56 3.963 5.662 -1.081 413 HA VAL 56 HA VAL 56 3.500 5.239 1.813 414 HB VAL 56 HB VAL 56 1.724 6.671 1.246 415 HG11 VAL 56 1HG1 VAL 56 1.707 5.955 -1.329 416 HG12 VAL 56 2HG1 VAL 56 0.415 4.879 -0.753 417 HG13 VAL 56 3HG1 VAL 56 0.310 6.630 -0.503 418 HG21 VAL 56 3HG2 VAL 56 -0.182 5.335 1.892 419 HG22 VAL 56 1HG2 VAL 56 0.609 3.841 1.361 420 HG23 VAL 56 2HG2 VAL 56 1.251 4.744 2.750 421 H MET 57 H MET 57 4.105 3.325 2.204 422 HA MET 57 HA MET 57 3.502 1.092 0.366 423 HB2 MET 57 1HB MET 57 5.666 0.117 0.801 424 HB3 MET 57 2HB MET 57 5.843 1.767 0.182 425 HG2 MET 57 1HG MET 57 5.937 2.375 2.742 426 HG3 MET 57 2HG MET 57 6.379 0.680 2.932 427 HE1 MET 57 3HE MET 57 9.317 3.763 2.814 428 HE2 MET 57 1HE MET 57 7.563 4.005 2.940 429 HE3 MET 57 2HE MET 57 8.380 2.857 4.026 430 H VAL 58 H VAL 58 2.393 -0.487 1.236 431 HA VAL 58 HA VAL 58 2.464 -0.878 4.167 432 HB VAL 58 HB VAL 58 0.059 -1.249 4.322 433 HG11 VAL 58 1HG1 VAL 58 0.665 1.502 3.198 434 HG12 VAL 58 2HG1 VAL 58 -0.691 1.036 4.241 435 HG13 VAL 58 3HG1 VAL 58 0.964 0.962 4.866 436 HG21 VAL 58 3HG2 VAL 58 -0.479 -1.897 2.026 437 HG22 VAL 58 1HG2 VAL 58 -1.502 -0.564 2.595 438 HG23 VAL 58 2HG2 VAL 58 -0.168 -0.220 1.481 439 HA PRO 59 HA PRO 59 2.801 -5.086 3.067 440 HB2 PRO 59 1HB PRO 59 1.920 -6.313 5.364 441 HB3 PRO 59 2HB PRO 59 3.480 -5.487 5.250 442 HG2 PRO 59 1HG PRO 59 0.875 -4.390 6.331 443 HG3 PRO 59 2HG PRO 59 2.512 -4.300 7.077 444 HD2 PRO 59 1HD PRO 59 1.508 -2.242 5.682 445 HD3 PRO 59 2HD PRO 59 3.225 -2.700 5.499 446 H GLU 60 H GLU 60 1.459 -6.107 1.593 447 HA GLU 60 HA GLU 60 -1.386 -5.932 1.657 448 HB2 GLU 60 1HB GLU 60 0.339 -8.028 0.275 449 HB3 GLU 60 2HB GLU 60 -1.386 -7.753 -0.002 450 HG2 GLU 60 1HG GLU 60 -0.723 -5.318 -0.540 451 HG3 GLU 60 2HG GLU 60 0.921 -5.940 -0.738 452 H GLY 61 H GLY 61 0.687 -8.522 2.917 453 HA2 GLY 61 1HA GLY 61 -1.656 -10.135 3.826 454 HA3 GLY 61 2HA GLY 61 0.045 -10.608 3.913 455 H LYS 62 H LYS 62 -0.309 -7.497 5.095 456 HA LYS 62 HA LYS 62 -0.818 -8.338 7.928 457 HB2 LYS 62 1HB LYS 62 1.710 -8.028 6.976 458 HB3 LYS 62 2HB LYS 62 1.320 -6.366 7.429 459 HG2 LYS 62 1HG LYS 62 0.930 -6.994 9.719 460 HG3 LYS 62 2HG LYS 62 1.287 -8.696 9.332 461 HD2 LYS 62 1HD LYS 62 3.558 -8.218 8.779 462 HD3 LYS 62 2HD LYS 62 3.284 -6.483 8.605 463 HE2 LYS 62 1HE LYS 62 2.809 -6.293 11.034 464 HE3 LYS 62 2HE LYS 62 3.057 -8.034 11.234 465 HZ1 LYS 62 3HZ LYS 62 5.040 -6.709 11.802 466 HZ2 LYS 62 1HZ LYS 62 5.166 -6.180 10.259 467 HZ3 LYS 62 2HZ LYS 62 5.331 -7.787 10.616 468 H VAL 63 H VAL 63 -1.813 -6.287 5.494 469 HA VAL 63 HA VAL 63 -2.309 -3.807 6.562 470 HB VAL 63 HB VAL 63 -4.550 -3.913 5.465 471 HG11 VAL 63 1HG1 VAL 63 -3.782 -3.502 3.341 472 HG12 VAL 63 2HG1 VAL 63 -2.393 -3.109 4.366 473 HG13 VAL 63 3HG1 VAL 63 -2.435 -4.637 3.460 474 HG21 VAL 63 3HG2 VAL 63 -4.507 -6.612 5.500 475 HG22 VAL 63 1HG2 VAL 63 -5.457 -5.632 4.375 476 HG23 VAL 63 2HG2 VAL 63 -3.911 -6.311 3.868 477 H LEU 64 H LEU 64 -3.835 -6.754 7.587 478 HA LEU 64 HA LEU 64 -6.055 -5.825 9.043 479 HB2 LEU 64 1HB LEU 64 -4.275 -8.145 9.859 480 HB3 LEU 64 2HB LEU 64 -5.998 -7.946 10.144 481 HG LEU 64 HG LEU 64 -4.614 -8.613 7.492 482 HD11 LEU 64 1HD1 LEU 64 -5.911 -10.674 7.682 483 HD12 LEU 64 2HD1 LEU 64 -6.669 -10.101 9.184 484 HD13 LEU 64 3HD1 LEU 64 -4.926 -10.446 9.137 485 HD21 LEU 64 3HD2 LEU 64 -6.485 -7.131 6.928 486 HD22 LEU 64 1HD2 LEU 64 -7.567 -8.020 8.021 487 HD23 LEU 64 2HD2 LEU 64 -6.930 -8.798 6.556 488 H ALA 65 H ALA 65 -2.640 -5.728 9.899 489 HA ALA 65 HA ALA 65 -2.987 -5.047 12.707 490 HB1 ALA 65 3HB ALA 65 -0.566 -4.729 12.638 491 HB2 ALA 65 1HB ALA 65 -0.994 -6.230 11.794 492 HB3 ALA 65 2HB ALA 65 -0.564 -4.776 10.864 493 H ILE 66 H ILE 66 -2.071 -3.169 9.779 494 HA ILE 66 HA ILE 66 -2.001 -0.598 11.118 495 HB ILE 66 HB ILE 66 -2.332 -1.168 8.144 496 HG12 ILE 66 1HG1 ILE 66 0.293 -0.339 8.493 497 HG13 ILE 66 2HG1 ILE 66 0.054 -1.281 9.955 498 HG21 ILE 66 1HG2 ILE 66 -1.363 1.087 7.830 499 HG22 ILE 66 2HG2 ILE 66 -2.881 1.172 8.712 500 HG23 ILE 66 3HG2 ILE 66 -1.351 1.334 9.591 501 HD11 ILE 66 3HD1 ILE 66 0.966 -2.648 8.162 502 HD12 ILE 66 1HD1 ILE 66 -0.678 -3.215 8.502 503 HD13 ILE 66 2HD1 ILE 66 -0.370 -2.201 7.076 504 H GLY 67 H GLY 67 -4.550 -2.419 9.509 505 HA2 GLY 67 1HA GLY 67 -6.873 -2.206 9.857 506 HA3 GLY 67 2HA GLY 67 -6.654 -0.593 10.529 507 H VAL 68 H VAL 68 -4.943 -1.014 7.606 508 HA VAL 68 HA VAL 68 -6.833 0.771 6.160 509 HB VAL 68 HB VAL 68 -4.939 1.151 4.614 510 HG11 VAL 68 1HG1 VAL 68 -4.818 1.785 7.537 511 HG12 VAL 68 2HG1 VAL 68 -3.398 2.167 6.555 512 HG13 VAL 68 3HG1 VAL 68 -4.955 2.811 6.105 513 HG21 VAL 68 3HG2 VAL 68 -3.440 -0.534 4.463 514 HG22 VAL 68 1HG2 VAL 68 -2.588 0.382 5.695 515 HG23 VAL 68 2HG2 VAL 68 -3.568 -1.020 6.154 516 H ARG 69 H ARG 69 -8.209 -0.016 4.567 517 HA ARG 69 HA ARG 69 -7.516 -2.738 3.501 518 HB2 ARG 69 1HB ARG 69 -10.006 -1.437 4.308 519 HB3 ARG 69 2HB ARG 69 -10.106 -1.981 2.653 520 HG2 ARG 69 1HG ARG 69 -9.335 -3.685 5.046 521 HG3 ARG 69 2HG ARG 69 -10.908 -3.669 4.257 522 HD2 ARG 69 1HD ARG 69 -8.800 -4.186 2.288 523 HD3 ARG 69 2HD ARG 69 -8.648 -5.291 3.660 524 HE ARG 69 HE ARG 69 -11.383 -5.208 2.793 525 HH11 ARG 69 1HH1 ARG 69 -8.318 -6.570 1.818 526 HH12 ARG 69 2HH1 ARG 69 -9.065 -7.804 0.844 527 HH21 ARG 69 1HH2 ARG 69 -12.287 -6.776 1.500 528 HH22 ARG 69 2HH2 ARG 69 -11.257 -7.915 0.690 529 H LYS 70 H LYS 70 -6.263 -2.595 1.842 530 HA LYS 70 HA LYS 70 -6.767 -0.578 -0.325 531 HB2 LYS 70 1HB LYS 70 -4.564 -1.469 -1.186 532 HB3 LYS 70 2HB LYS 70 -4.518 -0.512 0.287 533 HG2 LYS 70 1HG LYS 70 -3.678 -2.170 1.527 534 HG3 LYS 70 2HG LYS 70 -4.682 -3.434 0.823 535 HD2 LYS 70 1HD LYS 70 -2.264 -2.225 -0.571 536 HD3 LYS 70 2HD LYS 70 -2.178 -3.656 0.450 537 HE2 LYS 70 1HE LYS 70 -3.919 -3.419 -2.050 538 HE3 LYS 70 2HE LYS 70 -2.308 -4.132 -2.008 539 HZ1 LYS 70 3HZ LYS 70 -3.328 -5.677 -0.240 540 HZ2 LYS 70 1HZ LYS 70 -3.690 -5.931 -1.802 541 HZ3 LYS 70 2HZ LYS 70 -4.789 -5.184 -0.827 542 H VAL 71 H VAL 71 -8.342 -1.256 -1.532 543 HA VAL 71 HA VAL 71 -7.896 -3.667 -3.235 544 HB VAL 71 HB VAL 71 -10.533 -3.250 -1.759 545 HG11 VAL 71 1HG1 VAL 71 -11.057 -5.498 -2.939 546 HG12 VAL 71 2HG1 VAL 71 -11.138 -4.041 -3.922 547 HG13 VAL 71 3HG1 VAL 71 -9.717 -5.103 -4.031 548 HG21 VAL 71 3HG2 VAL 71 -10.092 -5.540 -0.896 549 HG22 VAL 71 1HG2 VAL 71 -8.468 -5.480 -1.612 550 HG23 VAL 71 2HG2 VAL 71 -8.929 -4.356 -0.309 551 H ALA 72 H ALA 72 -10.525 -1.324 -2.769 552 HA ALA 72 HA ALA 72 -10.297 0.312 -5.014 553 HB1 ALA 72 3HB ALA 72 -12.118 -0.738 -6.482 554 HB2 ALA 72 1HB ALA 72 -10.540 -1.514 -6.551 555 HB3 ALA 72 2HB ALA 72 -11.843 -2.251 -5.592 556 H SER 73 H SER 73 -12.822 -1.632 -3.347 557 HA SER 73 HA SER 73 -14.304 0.868 -2.622 558 HB2 SER 73 1HB SER 73 -16.310 -0.582 -2.634 559 HB3 SER 73 2HB SER 73 -15.485 -0.533 -4.197 560 HG SER 73 HG SER 73 -15.469 -2.628 -2.260 561 H ALA 74 H ALA 74 -12.391 -1.444 -1.170 562 HA ALA 74 HA ALA 74 -13.928 -2.120 1.154 563 HB1 ALA 74 3HB ALA 74 -11.882 -3.182 1.889 564 HB2 ALA 74 1HB ALA 74 -12.233 -3.576 0.203 565 HB3 ALA 74 2HB ALA 74 -10.960 -2.393 0.580 566 H GLU 75 H GLU 75 -10.990 -0.119 0.939 567 HA GLU 75 HA GLU 75 -10.142 1.642 1.948 568 HB2 GLU 75 1HB GLU 75 -12.204 2.667 1.079 569 HB3 GLU 75 2HB GLU 75 -13.023 2.371 2.615 570 HG2 GLU 75 1HG GLU 75 -11.389 3.824 3.770 571 HG3 GLU 75 2HG GLU 75 -10.581 4.136 2.241 Start of MODEL 17 1 H1 ALA 1 1H ALA 1 -17.639 16.751 -0.100 2 H2 ALA 1 2H ALA 1 -16.509 17.842 0.366 3 H3 ALA 1 3H ALA 1 -17.872 18.346 -0.392 4 HA ALA 1 HA ALA 1 -17.241 17.174 -2.402 5 HB1 ALA 1 3HB ALA 1 -15.523 18.724 -3.142 6 HB2 ALA 1 1HB ALA 1 -16.660 19.600 -2.104 7 HB3 ALA 1 2HB ALA 1 -15.074 19.112 -1.468 8 H GLY 2 H GLY 2 -16.071 15.540 -3.312 9 HA2 GLY 2 1HA GLY 2 -13.587 14.651 -3.278 10 HA3 GLY 2 2HA GLY 2 -14.011 14.157 -1.643 11 H HIS 3 H HIS 3 -14.056 13.253 -4.901 12 HA HIS 3 HA HIS 3 -16.200 11.251 -4.833 13 HB2 HIS 3 1HB HIS 3 -13.893 11.865 -6.719 14 HB3 HIS 3 2HB HIS 3 -14.807 10.377 -6.874 15 HD1 HIS 3 HD1 HIS 3 -16.077 10.874 -9.079 16 HD2 HIS 3 HD2 HIS 3 -16.496 13.820 -6.074 17 HE1 HIS 3 HE1 HIS 3 -17.918 12.488 -9.882 18 HE2 HIS 3 HE2 HIS 3 -18.164 14.278 -8.048 19 H MET 4 H MET 4 -15.925 8.981 -4.884 20 HA MET 4 HA MET 4 -13.885 7.955 -3.018 21 HB2 MET 4 1HB MET 4 -16.490 6.942 -4.171 22 HB3 MET 4 2HB MET 4 -15.307 5.752 -3.673 23 HG2 MET 4 1HG MET 4 -16.605 6.059 -1.764 24 HG3 MET 4 2HG MET 4 -15.122 6.940 -1.445 25 HE1 MET 4 3HE MET 4 -18.532 7.727 -3.383 26 HE2 MET 4 1HE MET 4 -18.928 6.977 -1.821 27 HE3 MET 4 2HE MET 4 -19.347 8.677 -2.122 28 HA PRO 5 HA PRO 5 -11.278 5.973 -6.014 29 HB2 PRO 5 1HB PRO 5 -10.646 3.575 -4.837 30 HB3 PRO 5 2HB PRO 5 -10.021 5.159 -4.283 31 HG2 PRO 5 1HG PRO 5 -12.395 3.582 -3.217 32 HG3 PRO 5 2HG PRO 5 -11.062 4.313 -2.282 33 HD2 PRO 5 1HD PRO 5 -13.411 5.574 -2.551 34 HD3 PRO 5 2HD PRO 5 -11.890 6.503 -2.631 35 H GLU 6 H GLU 6 -12.191 5.415 -7.896 36 HA GLU 6 HA GLU 6 -13.724 2.843 -8.157 37 HB2 GLU 6 1HB GLU 6 -14.213 5.540 -9.448 38 HB3 GLU 6 2HB GLU 6 -14.886 4.037 -10.079 39 HG2 GLU 6 1HG GLU 6 -16.510 3.925 -8.547 40 HG3 GLU 6 2HG GLU 6 -15.435 4.271 -7.210 41 H GLY 7 H GLY 7 -11.964 1.597 -8.760 42 HA2 GLY 7 1HA GLY 7 -11.106 1.809 -11.548 43 HA3 GLY 7 2HA GLY 7 -9.826 2.211 -10.407 44 H SER 8 H SER 8 -12.284 -0.359 -10.921 45 HA SER 8 HA SER 8 -10.771 -2.465 -9.681 46 HB2 SER 8 1HB SER 8 -13.111 -2.483 -11.624 47 HB3 SER 8 2HB SER 8 -12.437 -3.956 -10.909 48 HG SER 8 HG SER 8 -13.249 -3.439 -8.999 49 H ALA 9 H ALA 9 -8.788 -3.090 -10.427 50 HA ALA 9 HA ALA 9 -7.941 -3.142 -13.129 51 HB1 ALA 9 3HB ALA 9 -7.009 -4.701 -10.680 52 HB2 ALA 9 1HB ALA 9 -6.169 -4.711 -12.243 53 HB3 ALA 9 2HB ALA 9 -6.334 -3.196 -11.343 54 H SER 10 H SER 10 -8.567 -6.099 -11.222 55 HA SER 10 HA SER 10 -10.207 -7.367 -13.297 56 HB2 SER 10 1HB SER 10 -8.594 -9.299 -13.575 57 HB3 SER 10 2HB SER 10 -8.152 -7.793 -14.384 58 HG SER 10 HG SER 10 -6.366 -7.835 -13.303 59 H LEU 11 H LEU 11 -8.027 -8.845 -10.977 60 HA LEU 11 HA LEU 11 -10.348 -9.965 -9.403 61 HB2 LEU 11 1HB LEU 11 -7.764 -11.176 -10.403 62 HB3 LEU 11 2HB LEU 11 -8.377 -11.712 -8.858 63 HG LEU 11 HG LEU 11 -9.021 -13.219 -10.581 64 HD11 LEU 11 1HD1 LEU 11 -10.973 -13.705 -9.598 65 HD12 LEU 11 2HD1 LEU 11 -11.728 -12.162 -10.038 66 HD13 LEU 11 3HD1 LEU 11 -10.693 -12.272 -8.604 67 HD21 LEU 11 3HD2 LEU 11 -10.542 -12.722 -12.374 68 HD22 LEU 11 1HD2 LEU 11 -9.154 -11.619 -12.481 69 HD23 LEU 11 2HD2 LEU 11 -10.711 -11.039 -11.845 70 H GLN 12 H GLN 12 -6.865 -9.346 -9.000 71 HA GLN 12 HA GLN 12 -7.313 -8.507 -6.161 72 HB2 GLN 12 1HB GLN 12 -4.787 -9.636 -7.439 73 HB3 GLN 12 2HB GLN 12 -5.017 -9.209 -5.741 74 HG2 GLN 12 1HG GLN 12 -6.738 -10.989 -5.511 75 HG3 GLN 12 2HG GLN 12 -6.504 -11.429 -7.207 76 HE21 GLN 12 2HE2 GLN 12 -4.369 -10.908 -4.271 77 HE22 GLN 12 1HE2 GLN 12 -3.417 -12.344 -4.629 78 H LEU 13 H LEU 13 -5.383 -7.078 -5.447 79 HA LEU 13 HA LEU 13 -5.458 -4.594 -6.905 80 HB2 LEU 13 1HB LEU 13 -5.177 -5.179 -4.341 81 HB3 LEU 13 2HB LEU 13 -3.472 -5.329 -4.730 82 HG LEU 13 HG LEU 13 -4.060 -3.182 -3.788 83 HD11 LEU 13 1HD1 LEU 13 -2.278 -3.477 -5.616 84 HD12 LEU 13 2HD1 LEU 13 -2.738 -1.859 -5.076 85 HD13 LEU 13 3HD1 LEU 13 -3.358 -2.504 -6.616 86 HD21 LEU 13 3HD2 LEU 13 -6.388 -3.248 -5.259 87 HD22 LEU 13 1HD2 LEU 13 -5.462 -1.987 -6.042 88 HD23 LEU 13 2HD2 LEU 13 -5.762 -1.872 -4.316 89 H ALA 14 H ALA 14 -4.145 -3.852 -8.445 90 HA ALA 14 HA ALA 14 -1.480 -5.073 -8.970 91 HB1 ALA 14 3HB ALA 14 -1.977 -5.279 -11.340 92 HB2 ALA 14 1HB ALA 14 -3.231 -6.139 -10.434 93 HB3 ALA 14 2HB ALA 14 -3.577 -4.535 -11.117 94 H VAL 15 H VAL 15 -0.359 -3.724 -10.791 95 HA VAL 15 HA VAL 15 0.082 -1.075 -9.807 96 HB VAL 15 HB VAL 15 0.863 -2.260 -12.500 97 HG11 VAL 15 1HG1 VAL 15 2.663 -0.474 -12.381 98 HG12 VAL 15 2HG1 VAL 15 1.038 0.155 -12.649 99 HG13 VAL 15 3HG1 VAL 15 1.766 0.257 -11.032 100 HG21 VAL 15 3HG2 VAL 15 2.330 -2.049 -9.832 101 HG22 VAL 15 1HG2 VAL 15 1.826 -3.545 -10.645 102 HG23 VAL 15 2HG2 VAL 15 3.085 -2.542 -11.365 103 H GLY 16 H GLY 16 -0.727 0.884 -10.303 104 HA2 GLY 16 1HA GLY 16 -1.898 2.533 -11.398 105 HA3 GLY 16 2HA GLY 16 -2.390 1.397 -12.651 106 H ASP 17 H ASP 17 -3.279 -0.154 -9.861 107 HA ASP 17 HA ASP 17 -6.096 0.519 -10.058 108 HB2 ASP 17 1HB ASP 17 -4.907 -1.691 -9.394 109 HB3 ASP 17 2HB ASP 17 -4.740 -0.965 -7.805 110 H ARG 18 H ARG 18 -7.187 0.934 -7.768 111 HA ARG 18 HA ARG 18 -6.213 3.583 -6.780 112 HB2 ARG 18 1HB ARG 18 -8.867 2.298 -7.166 113 HB3 ARG 18 2HB ARG 18 -8.661 2.943 -5.547 114 HG2 ARG 18 1HG ARG 18 -9.648 4.617 -7.004 115 HG3 ARG 18 2HG ARG 18 -8.058 5.155 -6.445 116 HD2 ARG 18 1HD ARG 18 -7.084 4.520 -8.636 117 HD3 ARG 18 2HD ARG 18 -8.659 3.878 -9.142 118 HE ARG 18 HE ARG 18 -8.692 6.696 -8.300 119 HH11 ARG 18 1HH1 ARG 18 -8.263 4.630 -11.080 120 HH12 ARG 18 2HH1 ARG 18 -8.789 5.855 -12.199 121 HH21 ARG 18 1HH2 ARG 18 -9.326 8.234 -9.757 122 HH22 ARG 18 2HH2 ARG 18 -9.381 7.852 -11.450 123 H VAL 19 H VAL 19 -6.195 4.056 -4.582 124 HA VAL 19 HA VAL 19 -6.394 1.989 -2.550 125 HB VAL 19 HB VAL 19 -4.210 1.380 -3.202 126 HG11 VAL 19 1HG1 VAL 19 -2.429 3.494 -2.881 127 HG12 VAL 19 2HG1 VAL 19 -2.961 2.795 -4.418 128 HG13 VAL 19 3HG1 VAL 19 -3.748 4.227 -3.783 129 HG21 VAL 19 3HG2 VAL 19 -3.585 3.220 -0.900 130 HG22 VAL 19 1HG2 VAL 19 -4.764 1.923 -0.718 131 HG23 VAL 19 2HG2 VAL 19 -3.110 1.528 -1.205 132 H VAL 20 H VAL 20 -7.308 2.967 -0.881 133 HA VAL 20 HA VAL 20 -6.386 5.710 -0.156 134 HB VAL 20 HB VAL 20 -8.500 6.588 0.253 135 HG11 VAL 20 1HG1 VAL 20 -7.882 6.508 -2.181 136 HG12 VAL 20 2HG1 VAL 20 -8.827 5.033 -2.344 137 HG13 VAL 20 3HG1 VAL 20 -9.633 6.550 -1.908 138 HG21 VAL 20 3HG2 VAL 20 -9.780 3.931 -0.379 139 HG22 VAL 20 1HG2 VAL 20 -9.658 4.657 1.243 140 HG23 VAL 20 2HG2 VAL 20 -10.633 5.439 -0.005 141 H TYR 21 H TYR 21 -6.787 6.254 2.073 142 HA TYR 21 HA TYR 21 -6.371 3.872 3.855 143 HB2 TYR 21 1HB TYR 21 -5.405 6.637 3.703 144 HB3 TYR 21 2HB TYR 21 -6.015 6.238 5.296 145 HD1 TYR 21 HD2 TYR 21 -4.056 4.163 2.780 146 HD2 TYR 21 HD1 TYR 21 -4.213 5.935 6.722 147 HE1 TYR 21 HE2 TYR 21 -1.868 3.085 3.378 148 HE2 TYR 21 HE1 TYR 21 -2.041 4.922 7.270 149 HH TYR 21 HH TYR 21 -0.328 3.609 6.568 150 HA PRO 22 HA PRO 22 -10.314 4.214 5.739 151 HB2 PRO 22 1HB PRO 22 -9.887 3.655 8.386 152 HB3 PRO 22 2HB PRO 22 -9.689 2.447 7.082 153 HG2 PRO 22 1HG PRO 22 -7.533 4.114 8.409 154 HG3 PRO 22 2HG PRO 22 -7.532 2.349 8.094 155 HD2 PRO 22 1HD PRO 22 -6.296 4.117 6.428 156 HD3 PRO 22 2HD PRO 22 -7.137 2.675 5.781 157 H ASN 23 H ASN 23 -7.799 6.309 7.010 158 HA ASN 23 HA ASN 23 -9.659 8.541 7.225 159 HB2 ASN 23 1HB ASN 23 -9.700 7.050 9.439 160 HB3 ASN 23 2HB ASN 23 -8.219 7.897 9.821 161 HD21 ASN 23 2HD2 ASN 23 -11.192 7.937 10.794 162 HD22 ASN 23 1HD2 ASN 23 -11.543 9.662 10.827 163 H GLN 24 H GLN 24 -7.756 8.596 5.429 164 HA GLN 24 HA GLN 24 -5.764 10.547 6.467 165 HB2 GLN 24 1HB GLN 24 -4.923 8.047 6.393 166 HB3 GLN 24 2HB GLN 24 -4.677 8.380 4.683 167 HG2 GLN 24 1HG GLN 24 -3.486 10.021 6.943 168 HG3 GLN 24 2HG GLN 24 -2.696 8.631 6.204 169 HE21 GLN 24 2HE2 GLN 24 -1.510 11.230 6.248 170 HE22 GLN 24 1HE2 GLN 24 -1.410 11.733 4.560 171 H GLY 25 H GLY 25 -6.573 8.840 3.380 172 HA2 GLY 25 1HA GLY 25 -7.578 10.877 1.828 173 HA3 GLY 25 2HA GLY 25 -5.828 11.144 1.784 174 H VAL 26 H VAL 26 -6.268 10.772 -0.540 175 HA VAL 26 HA VAL 26 -6.477 7.898 -1.308 176 HB VAL 26 HB VAL 26 -7.356 8.528 -3.409 177 HG11 VAL 26 1HG1 VAL 26 -8.831 10.409 -1.540 178 HG12 VAL 26 2HG1 VAL 26 -9.472 9.371 -2.829 179 HG13 VAL 26 3HG1 VAL 26 -8.888 8.659 -1.313 180 HG21 VAL 26 3HG2 VAL 26 -6.882 11.447 -2.678 181 HG22 VAL 26 1HG2 VAL 26 -6.120 10.534 -4.000 182 HG23 VAL 26 2HG2 VAL 26 -7.848 10.884 -4.057 183 H CYS 27 H CYS 27 -5.110 6.954 -2.793 184 HA CYS 27 HA CYS 27 -2.704 8.443 -3.712 185 HB2 CYS 27 1HB CYS 27 -2.709 5.745 -2.278 186 HB3 CYS 27 2HB CYS 27 -1.290 6.576 -2.937 187 HG CYS 27 HG CYS 27 -3.285 7.367 -0.425 188 H ARG 28 H ARG 28 -1.405 6.810 -5.184 189 HA ARG 28 HA ARG 28 -3.166 5.080 -6.887 190 HB2 ARG 28 1HB ARG 28 -1.361 7.385 -7.685 191 HB3 ARG 28 2HB ARG 28 -1.381 5.953 -8.696 192 HG2 ARG 28 1HG ARG 28 -2.925 7.248 -9.712 193 HG3 ARG 28 2HG ARG 28 -3.925 6.135 -8.790 194 HD2 ARG 28 1HD ARG 28 -4.844 7.827 -7.531 195 HD3 ARG 28 2HD ARG 28 -3.296 8.642 -7.330 196 HE ARG 28 HE ARG 28 -3.843 10.072 -9.027 197 HH11 ARG 28 1HH1 ARG 28 -5.770 7.227 -9.621 198 HH12 ARG 28 2HH1 ARG 28 -6.407 7.860 -11.119 199 HH21 ARG 28 1HH2 ARG 28 -4.685 10.825 -10.929 200 HH22 ARG 28 2HH2 ARG 28 -5.832 9.863 -11.808 201 H VAL 29 H VAL 29 -2.370 3.143 -7.340 202 HA VAL 29 HA VAL 29 0.022 2.159 -6.040 203 HB VAL 29 HB VAL 29 -1.594 0.805 -8.224 204 HG11 VAL 29 1HG1 VAL 29 -0.749 -1.274 -7.130 205 HG12 VAL 29 2HG1 VAL 29 0.589 -0.303 -7.751 206 HG13 VAL 29 3HG1 VAL 29 0.223 -0.297 -6.016 207 HG21 VAL 29 3HG2 VAL 29 -2.905 -0.215 -6.526 208 HG22 VAL 29 1HG2 VAL 29 -1.941 0.517 -5.212 209 HG23 VAL 29 2HG2 VAL 29 -3.014 1.493 -6.235 210 H SER 30 H SER 30 2.051 1.977 -6.713 211 HA SER 30 HA SER 30 2.745 2.888 -9.482 212 HB2 SER 30 1HB SER 30 3.562 3.836 -6.930 213 HB3 SER 30 2HB SER 30 4.952 2.969 -7.588 214 HG SER 30 HG SER 30 3.456 5.009 -8.916 215 H ALA 31 H ALA 31 3.813 0.594 -6.923 216 HA ALA 31 HA ALA 31 4.302 -1.496 -8.870 217 HB1 ALA 31 3HB ALA 31 6.424 -0.210 -9.094 218 HB2 ALA 31 1HB ALA 31 6.687 -0.348 -7.341 219 HB3 ALA 31 2HB ALA 31 6.699 -1.799 -8.369 220 H ILE 32 H ILE 32 4.946 -3.559 -7.744 221 HA ILE 32 HA ILE 32 4.547 -3.605 -4.803 222 HB ILE 32 HB ILE 32 2.898 -5.327 -6.711 223 HG12 ILE 32 1HG1 ILE 32 1.996 -3.128 -4.802 224 HG13 ILE 32 2HG1 ILE 32 2.074 -2.945 -6.533 225 HG21 ILE 32 1HG2 ILE 32 3.553 -6.600 -4.735 226 HG22 ILE 32 2HG2 ILE 32 3.140 -5.259 -3.657 227 HG23 ILE 32 3HG2 ILE 32 1.880 -6.157 -4.520 228 HD11 ILE 32 3HD1 ILE 32 -0.169 -3.382 -5.480 229 HD12 ILE 32 1HD1 ILE 32 0.242 -4.225 -6.987 230 HD13 ILE 32 2HD1 ILE 32 0.274 -5.091 -5.438 231 H ASP 33 H ASP 33 5.872 -5.034 -3.817 232 HA ASP 33 HA ASP 33 6.949 -7.359 -5.233 233 HB2 ASP 33 1HB ASP 33 9.292 -6.798 -4.825 234 HB3 ASP 33 2HB ASP 33 8.540 -5.653 -5.915 235 H VAL 34 H VAL 34 8.382 -8.685 -3.725 236 HA VAL 34 HA VAL 34 7.312 -8.550 -0.927 237 HB VAL 34 HB VAL 34 7.643 -10.887 -0.687 238 HG11 VAL 34 1HG1 VAL 34 5.600 -11.224 -1.488 239 HG12 VAL 34 2HG1 VAL 34 5.723 -9.791 -2.513 240 HG13 VAL 34 3HG1 VAL 34 6.211 -11.356 -3.143 241 HG21 VAL 34 3HG2 VAL 34 8.242 -12.377 -2.597 242 HG22 VAL 34 1HG2 VAL 34 8.725 -10.943 -3.526 243 HG23 VAL 34 2HG2 VAL 34 9.581 -11.380 -2.029 244 H LYS 35 H LYS 35 8.693 -8.631 0.812 245 HA LYS 35 HA LYS 35 11.547 -9.110 0.452 246 HB2 LYS 35 1HB LYS 35 12.323 -6.952 1.289 247 HB3 LYS 35 2HB LYS 35 11.532 -6.778 -0.262 248 HG2 LYS 35 1HG LYS 35 9.654 -5.684 0.649 249 HG3 LYS 35 2HG LYS 35 9.981 -6.236 2.296 250 HD2 LYS 35 1HD LYS 35 11.993 -4.468 0.881 251 HD3 LYS 35 2HD LYS 35 10.556 -3.753 1.630 252 HE2 LYS 35 1HE LYS 35 11.135 -4.351 3.777 253 HE3 LYS 35 2HE LYS 35 12.101 -5.740 3.270 254 HZ1 LYS 35 3HZ LYS 35 13.567 -4.046 4.057 255 HZ2 LYS 35 1HZ LYS 35 12.927 -2.894 3.091 256 HZ3 LYS 35 2HZ LYS 35 13.784 -4.132 2.448 257 H GLU 36 H GLU 36 12.745 -8.809 2.497 258 HA GLU 36 HA GLU 36 11.130 -9.677 4.851 259 HB2 GLU 36 1HB GLU 36 13.595 -10.664 3.735 260 HB3 GLU 36 2HB GLU 36 13.987 -9.887 5.260 261 HG2 GLU 36 1HG GLU 36 11.765 -11.347 5.981 262 HG3 GLU 36 2HG GLU 36 12.449 -12.358 4.708 263 H VAL 37 H VAL 37 10.631 -8.125 6.246 264 HA VAL 37 HA VAL 37 12.741 -6.107 6.954 265 HB VAL 37 HB VAL 37 10.915 -5.108 5.594 266 HG11 VAL 37 1HG1 VAL 37 9.125 -5.529 8.013 267 HG12 VAL 37 2HG1 VAL 37 8.729 -4.713 6.490 268 HG13 VAL 37 3HG1 VAL 37 9.036 -6.466 6.511 269 HG21 VAL 37 3HG2 VAL 37 10.938 -3.972 8.406 270 HG22 VAL 37 1HG2 VAL 37 12.306 -3.823 7.278 271 HG23 VAL 37 2HG2 VAL 37 10.736 -3.115 6.865 272 H ALA 38 H ALA 38 13.076 -5.769 9.112 273 HA ALA 38 HA ALA 38 13.284 -6.456 11.279 274 HB1 ALA 38 3HB ALA 38 11.417 -4.858 11.314 275 HB2 ALA 38 1HB ALA 38 10.257 -6.190 11.121 276 HB3 ALA 38 2HB ALA 38 11.246 -6.073 12.593 277 H GLY 39 H GLY 39 13.206 -8.736 9.448 278 HA2 GLY 39 1HA GLY 39 13.432 -11.042 9.713 279 HA3 GLY 39 2HA GLY 39 12.805 -10.928 11.348 280 H GLN 40 H GLN 40 10.953 -9.666 8.591 281 HA GLN 40 HA GLN 40 9.065 -11.980 8.638 282 HB2 GLN 40 1HB GLN 40 8.321 -10.156 10.188 283 HB3 GLN 40 2HB GLN 40 8.389 -9.022 8.850 284 HG2 GLN 40 1HG GLN 40 6.217 -9.457 8.651 285 HG3 GLN 40 2HG GLN 40 6.721 -10.835 7.706 286 HE21 GLN 40 2HE2 GLN 40 5.456 -12.648 8.273 287 HE22 GLN 40 1HE2 GLN 40 4.966 -12.969 9.930 288 H LYS 41 H LYS 41 8.974 -12.738 6.606 289 HA LYS 41 HA LYS 41 9.378 -10.935 4.291 290 HB2 LYS 41 1HB LYS 41 10.461 -13.363 4.755 291 HB3 LYS 41 2HB LYS 41 9.050 -13.897 3.878 292 HG2 LYS 41 1HG LYS 41 10.889 -11.683 2.860 293 HG3 LYS 41 2HG LYS 41 11.241 -13.369 2.573 294 HD2 LYS 41 1HD LYS 41 8.630 -12.085 1.635 295 HD3 LYS 41 2HD LYS 41 10.114 -12.085 0.697 296 HE2 LYS 41 1HE LYS 41 9.616 -14.085 -0.117 297 HE3 LYS 41 2HE LYS 41 9.927 -14.754 1.481 298 HZ1 LYS 41 3HZ LYS 41 7.530 -14.418 1.981 299 HZ2 LYS 41 1HZ LYS 41 7.751 -15.409 0.707 300 HZ3 LYS 41 2HZ LYS 41 7.277 -13.875 0.451 301 H LEU 42 H LEU 42 7.691 -10.033 3.311 302 HA LEU 42 HA LEU 42 5.351 -11.632 2.636 303 HB2 LEU 42 1HB LEU 42 3.708 -10.638 3.927 304 HB3 LEU 42 2HB LEU 42 5.008 -10.836 5.055 305 HG LEU 42 HG LEU 42 5.484 -8.279 4.027 306 HD11 LEU 42 1HD1 LEU 42 2.550 -8.304 4.683 307 HD12 LEU 42 2HD1 LEU 42 3.058 -8.677 3.037 308 HD13 LEU 42 3HD1 LEU 42 3.551 -7.145 3.732 309 HD21 LEU 42 3HD2 LEU 42 3.944 -9.109 6.515 310 HD22 LEU 42 1HD2 LEU 42 4.572 -7.475 6.208 311 HD23 LEU 42 2HD2 LEU 42 5.698 -8.828 6.367 312 H THR 43 H THR 43 3.708 -10.250 1.384 313 HA THR 43 HA THR 43 5.048 -8.752 -0.698 314 HB THR 43 HB THR 43 2.045 -8.910 -0.231 315 HG1 THR 43 HG1 THR 43 2.030 -10.861 -1.157 316 HG21 THR 43 3HG2 THR 43 2.295 -7.618 -2.138 317 HG22 THR 43 1HG2 THR 43 2.329 -9.227 -2.875 318 HG23 THR 43 2HG2 THR 43 3.843 -8.357 -2.592 319 H PHE 44 H PHE 44 5.616 -6.616 -0.573 320 HA PHE 44 HA PHE 44 3.978 -4.780 1.139 321 HB2 PHE 44 1HB PHE 44 6.918 -4.660 0.433 322 HB3 PHE 44 2HB PHE 44 5.995 -3.357 1.171 323 HD1 PHE 44 HD2 PHE 44 5.017 -3.590 3.472 324 HD2 PHE 44 HD1 PHE 44 7.664 -6.535 1.774 325 HE1 PHE 44 HE2 PHE 44 5.374 -4.609 5.759 326 HE2 PHE 44 HE1 PHE 44 8.083 -7.459 4.042 327 HZ PHE 44 HZ PHE 44 6.863 -6.548 5.993 328 H VAL 45 H VAL 45 2.688 -3.554 0.026 329 HA VAL 45 HA VAL 45 3.028 -3.150 -2.877 330 HB VAL 45 HB VAL 45 0.907 -1.886 -2.702 331 HG11 VAL 45 1HG1 VAL 45 0.926 -4.687 -1.511 332 HG12 VAL 45 2HG1 VAL 45 -0.473 -3.895 -2.288 333 HG13 VAL 45 3HG1 VAL 45 0.955 -4.301 -3.220 334 HG21 VAL 45 3HG2 VAL 45 0.381 -2.972 0.054 335 HG22 VAL 45 1HG2 VAL 45 1.337 -1.487 -0.053 336 HG23 VAL 45 2HG2 VAL 45 -0.238 -1.517 -0.771 337 H THR 46 H THR 46 3.477 -1.141 -3.899 338 HA THR 46 HA THR 46 4.304 1.084 -2.087 339 HB THR 46 HB THR 46 5.732 0.506 -4.684 340 HG1 THR 46 HG1 THR 46 6.035 -1.288 -3.358 341 HG21 THR 46 3HG2 THR 46 7.476 1.854 -3.628 342 HG22 THR 46 1HG2 THR 46 6.561 1.928 -2.110 343 HG23 THR 46 2HG2 THR 46 5.954 2.762 -3.556 344 H MET 47 H MET 47 3.001 2.721 -2.314 345 HA MET 47 HA MET 47 1.896 3.394 -5.005 346 HB2 MET 47 1HB MET 47 0.470 3.857 -2.383 347 HB3 MET 47 2HB MET 47 -0.181 3.938 -3.995 348 HG2 MET 47 1HG MET 47 -1.031 1.897 -3.352 349 HG3 MET 47 2HG MET 47 0.462 1.368 -4.090 350 HE1 MET 47 3HE MET 47 -0.997 2.825 -0.941 351 HE2 MET 47 1HE MET 47 -1.217 1.316 -0.034 352 HE3 MET 47 2HE MET 47 0.181 2.343 0.301 353 H ARG 48 H ARG 48 1.285 5.651 -5.198 354 HA ARG 48 HA ARG 48 2.882 7.582 -3.560 355 HB2 ARG 48 1HB ARG 48 3.016 7.032 -6.537 356 HB3 ARG 48 2HB ARG 48 3.268 8.675 -5.964 357 HG2 ARG 48 1HG ARG 48 5.286 8.288 -5.118 358 HG3 ARG 48 2HG ARG 48 4.878 6.718 -4.435 359 HD2 ARG 48 1HD ARG 48 5.597 5.547 -6.221 360 HD3 ARG 48 2HD ARG 48 5.044 6.748 -7.401 361 HE ARG 48 HE ARG 48 7.153 8.027 -6.205 362 HH11 ARG 48 1HH1 ARG 48 6.898 4.976 -7.880 363 HH12 ARG 48 2HH1 ARG 48 8.550 5.039 -8.444 364 HH21 ARG 48 1HH2 ARG 48 9.193 8.123 -7.043 365 HH22 ARG 48 2HH2 ARG 48 9.795 6.814 -8.013 366 H ARG 49 H ARG 49 2.127 9.647 -3.544 367 HA ARG 49 HA ARG 49 -0.653 10.098 -4.623 368 HB2 ARG 49 1HB ARG 49 -1.003 11.660 -2.711 369 HB3 ARG 49 2HB ARG 49 -1.027 9.950 -2.345 370 HG2 ARG 49 1HG ARG 49 0.798 9.962 -1.023 371 HG3 ARG 49 2HG ARG 49 1.585 11.293 -1.867 372 HD2 ARG 49 1HD ARG 49 0.530 12.921 -0.683 373 HD3 ARG 49 2HD ARG 49 -0.970 12.006 -0.489 374 HE ARG 49 HE ARG 49 0.552 10.565 1.134 375 HH11 ARG 49 1HH1 ARG 49 0.342 14.051 1.016 376 HH12 ARG 49 2HH1 ARG 49 0.676 14.222 2.716 377 HH21 ARG 49 1HH2 ARG 49 0.962 10.840 3.284 378 HH22 ARG 49 2HH2 ARG 49 1.061 12.442 3.949 379 H GLU 50 H GLU 50 -0.403 11.240 -6.323 380 HA GLU 50 HA GLU 50 1.578 13.253 -6.848 381 HB2 GLU 50 1HB GLU 50 -1.148 12.603 -8.016 382 HB3 GLU 50 2HB GLU 50 -0.166 13.914 -8.657 383 HG2 GLU 50 1HG GLU 50 1.077 11.161 -8.404 384 HG3 GLU 50 2HG GLU 50 -0.081 11.474 -9.688 385 H GLU 51 H GLU 51 -1.300 13.371 -4.959 386 HA GLU 51 HA GLU 51 -2.074 16.062 -4.978 387 HB2 GLU 51 1HB GLU 51 -3.019 13.935 -3.736 388 HB3 GLU 51 2HB GLU 51 -1.924 14.398 -2.446 389 HG2 GLU 51 1HG GLU 51 -3.920 15.407 -1.807 390 HG3 GLU 51 2HG GLU 51 -3.062 16.741 -2.565 391 H ASP 52 H ASP 52 0.526 14.544 -3.081 392 HA ASP 52 HA ASP 52 1.692 17.240 -2.516 393 HB2 ASP 52 1HB ASP 52 0.439 16.048 -0.552 394 HB3 ASP 52 2HB ASP 52 1.858 15.006 -0.495 395 H GLY 53 H GLY 53 2.224 14.527 -4.203 396 HA2 GLY 53 1HA GLY 53 4.032 13.548 -5.201 397 HA3 GLY 53 2HA GLY 53 5.042 14.875 -4.624 398 H ALA 54 H ALA 54 3.176 12.534 -2.641 399 HA ALA 54 HA ALA 54 5.741 11.760 -1.276 400 HB1 ALA 54 3HB ALA 54 2.962 12.314 -0.267 401 HB2 ALA 54 1HB ALA 54 3.963 11.129 0.591 402 HB3 ALA 54 2HB ALA 54 4.533 12.793 0.382 403 H VAL 55 H VAL 55 5.670 9.590 -0.241 404 HA VAL 55 HA VAL 55 4.442 7.534 -2.039 405 HB VAL 55 HB VAL 55 6.319 6.112 -1.757 406 HG11 VAL 55 1HG1 VAL 55 7.320 7.052 -3.507 407 HG12 VAL 55 2HG1 VAL 55 6.493 8.582 -3.186 408 HG13 VAL 55 3HG1 VAL 55 8.083 8.283 -2.492 409 HG21 VAL 55 3HG2 VAL 55 8.423 6.814 -0.653 410 HG22 VAL 55 1HG2 VAL 55 7.598 8.252 -0.014 411 HG23 VAL 55 2HG2 VAL 55 7.093 6.621 0.486 412 H VAL 56 H VAL 56 3.725 5.606 -1.095 413 HA VAL 56 HA VAL 56 3.757 5.351 1.841 414 HB VAL 56 HB VAL 56 1.760 6.638 1.514 415 HG11 VAL 56 1HG1 VAL 56 -0.181 5.857 0.258 416 HG12 VAL 56 2HG1 VAL 56 1.188 6.139 -0.832 417 HG13 VAL 56 3HG1 VAL 56 0.743 4.487 -0.353 418 HG21 VAL 56 3HG2 VAL 56 1.773 4.766 3.195 419 HG22 VAL 56 1HG2 VAL 56 0.168 5.252 2.632 420 HG23 VAL 56 2HG2 VAL 56 0.903 3.764 2.012 421 H MET 57 H MET 57 4.198 3.356 2.384 422 HA MET 57 HA MET 57 3.548 1.136 0.532 423 HB2 MET 57 1HB MET 57 5.879 1.556 0.170 424 HB3 MET 57 2HB MET 57 6.215 1.644 1.898 425 HG2 MET 57 1HG MET 57 4.977 -0.920 1.170 426 HG3 MET 57 2HG MET 57 6.406 -0.616 0.213 427 HE1 MET 57 3HE MET 57 9.267 -1.426 2.407 428 HE2 MET 57 1HE MET 57 8.461 -1.670 0.841 429 HE3 MET 57 2HE MET 57 8.828 -0.023 1.404 430 H VAL 58 H VAL 58 2.545 -0.484 1.413 431 HA VAL 58 HA VAL 58 2.630 -0.888 4.343 432 HB VAL 58 HB VAL 58 0.191 -1.271 4.474 433 HG11 VAL 58 1HG1 VAL 58 1.060 0.902 5.131 434 HG12 VAL 58 2HG1 VAL 58 0.869 1.508 3.470 435 HG13 VAL 58 3HG1 VAL 58 -0.553 1.031 4.414 436 HG21 VAL 58 3HG2 VAL 58 -1.323 -0.485 2.731 437 HG22 VAL 58 1HG2 VAL 58 0.051 -0.191 1.648 438 HG23 VAL 58 2HG2 VAL 58 -0.331 -1.853 2.190 439 HA PRO 59 HA PRO 59 2.886 -5.151 3.246 440 HB2 PRO 59 1HB PRO 59 1.911 -6.324 5.520 441 HB3 PRO 59 2HB PRO 59 3.491 -5.552 5.446 442 HG2 PRO 59 1HG PRO 59 0.900 -4.379 6.453 443 HG3 PRO 59 2HG PRO 59 2.522 -4.335 7.240 444 HD2 PRO 59 1HD PRO 59 1.615 -2.247 5.828 445 HD3 PRO 59 2HD PRO 59 3.320 -2.757 5.682 446 H GLU 60 H GLU 60 1.569 -6.150 1.780 447 HA GLU 60 HA GLU 60 -1.329 -5.961 1.790 448 HB2 GLU 60 1HB GLU 60 0.745 -7.034 0.034 449 HB3 GLU 60 2HB GLU 60 -0.565 -8.199 0.180 450 HG2 GLU 60 1HG GLU 60 -0.953 -5.269 -0.458 451 HG3 GLU 60 2HG GLU 60 -0.762 -6.509 -1.694 452 H GLY 61 H GLY 61 0.871 -8.450 2.981 453 HA2 GLY 61 1HA GLY 61 -1.392 -10.213 3.809 454 HA3 GLY 61 2HA GLY 61 0.332 -10.588 3.926 455 H LYS 62 H LYS 62 -0.224 -7.514 5.119 456 HA LYS 62 HA LYS 62 -0.820 -8.385 7.920 457 HB2 LYS 62 1HB LYS 62 1.747 -8.017 7.090 458 HB3 LYS 62 2HB LYS 62 1.325 -6.373 7.602 459 HG2 LYS 62 1HG LYS 62 0.858 -7.060 9.823 460 HG3 LYS 62 2HG LYS 62 1.046 -8.768 9.378 461 HD2 LYS 62 1HD LYS 62 3.394 -7.107 8.535 462 HD3 LYS 62 2HD LYS 62 3.099 -7.002 10.272 463 HE2 LYS 62 1HE LYS 62 3.296 -9.630 8.733 464 HE3 LYS 62 2HE LYS 62 4.633 -8.867 9.610 465 HZ1 LYS 62 3HZ LYS 62 2.112 -9.688 10.942 466 HZ2 LYS 62 1HZ LYS 62 3.486 -9.170 11.665 467 HZ3 LYS 62 2HZ LYS 62 3.462 -10.607 10.907 468 H VAL 63 H VAL 63 -1.739 -6.337 5.482 469 HA VAL 63 HA VAL 63 -2.297 -3.865 6.557 470 HB VAL 63 HB VAL 63 -4.503 -4.015 5.379 471 HG11 VAL 63 1HG1 VAL 63 -2.325 -4.599 3.405 472 HG12 VAL 63 2HG1 VAL 63 -3.675 -3.473 3.299 473 HG13 VAL 63 3HG1 VAL 63 -2.316 -3.116 4.380 474 HG21 VAL 63 3HG2 VAL 63 -3.720 -6.346 3.757 475 HG22 VAL 63 1HG2 VAL 63 -4.396 -6.686 5.354 476 HG23 VAL 63 2HG2 VAL 63 -5.307 -5.710 4.196 477 H LEU 64 H LEU 64 -3.823 -6.853 7.456 478 HA LEU 64 HA LEU 64 -6.090 -5.983 8.876 479 HB2 LEU 64 1HB LEU 64 -4.321 -8.317 9.685 480 HB3 LEU 64 2HB LEU 64 -6.056 -8.139 9.906 481 HG LEU 64 HG LEU 64 -4.564 -8.726 7.294 482 HD11 LEU 64 1HD1 LEU 64 -5.856 -10.798 7.374 483 HD12 LEU 64 2HD1 LEU 64 -6.681 -10.271 8.857 484 HD13 LEU 64 3HD1 LEU 64 -4.937 -10.608 8.878 485 HD21 LEU 64 3HD2 LEU 64 -6.430 -7.233 6.722 486 HD22 LEU 64 1HD2 LEU 64 -7.540 -8.190 7.737 487 HD23 LEU 64 2HD2 LEU 64 -6.833 -8.888 6.259 488 H ALA 65 H ALA 65 -2.705 -5.878 9.819 489 HA ALA 65 HA ALA 65 -3.134 -5.338 12.648 490 HB1 ALA 65 3HB ALA 65 -0.626 -4.931 10.957 491 HB2 ALA 65 1HB ALA 65 -0.735 -5.139 12.715 492 HB3 ALA 65 2HB ALA 65 -1.118 -6.496 11.638 493 H ILE 66 H ILE 66 -2.101 -3.351 9.838 494 HA ILE 66 HA ILE 66 -2.076 -0.825 11.265 495 HB ILE 66 HB ILE 66 -2.313 -1.321 8.266 496 HG12 ILE 66 1HG1 ILE 66 0.296 -0.458 8.752 497 HG13 ILE 66 2HG1 ILE 66 0.004 -1.471 10.156 498 HG21 ILE 66 1HG2 ILE 66 -1.352 0.952 8.034 499 HG22 ILE 66 2HG2 ILE 66 -2.899 1.009 8.871 500 HG23 ILE 66 3HG2 ILE 66 -1.398 1.159 9.799 501 HD11 ILE 66 3HD1 ILE 66 -0.658 -3.333 8.587 502 HD12 ILE 66 1HD1 ILE 66 -0.286 -2.255 7.223 503 HD13 ILE 66 2HD1 ILE 66 0.999 -2.749 8.351 504 H GLY 67 H GLY 67 -4.566 -2.616 9.547 505 HA2 GLY 67 1HA GLY 67 -6.900 -2.413 9.788 506 HA3 GLY 67 2HA GLY 67 -6.719 -0.806 10.490 507 H VAL 68 H VAL 68 -4.781 -1.009 7.733 508 HA VAL 68 HA VAL 68 -6.627 0.726 6.206 509 HB VAL 68 HB VAL 68 -4.725 1.003 4.654 510 HG11 VAL 68 1HG1 VAL 68 -4.622 1.713 7.553 511 HG12 VAL 68 2HG1 VAL 68 -3.180 2.037 6.579 512 HG13 VAL 68 3HG1 VAL 68 -4.719 2.704 6.094 513 HG21 VAL 68 3HG2 VAL 68 -3.226 -0.659 4.533 514 HG22 VAL 68 1HG2 VAL 68 -2.406 0.186 5.838 515 HG23 VAL 68 2HG2 VAL 68 -3.448 -1.200 6.196 516 H ARG 69 H ARG 69 -7.972 0.005 4.673 517 HA ARG 69 HA ARG 69 -7.430 -2.666 3.403 518 HB2 ARG 69 1HB ARG 69 -9.939 -1.137 4.044 519 HB3 ARG 69 2HB ARG 69 -9.915 -1.989 2.508 520 HG2 ARG 69 1HG ARG 69 -9.333 -3.306 5.196 521 HG3 ARG 69 2HG ARG 69 -10.885 -3.325 4.350 522 HD2 ARG 69 1HD ARG 69 -9.511 -4.314 2.337 523 HD3 ARG 69 2HD ARG 69 -8.296 -4.704 3.548 524 HE ARG 69 HE ARG 69 -10.862 -5.997 3.097 525 HH11 ARG 69 1HH1 ARG 69 -8.500 -5.511 5.627 526 HH12 ARG 69 2HH1 ARG 69 -9.065 -6.892 6.530 527 HH21 ARG 69 1HH2 ARG 69 -11.524 -7.723 4.278 528 HH22 ARG 69 2HH2 ARG 69 -10.729 -8.117 5.771 529 H LYS 70 H LYS 70 -6.656 -2.690 1.441 530 HA LYS 70 HA LYS 70 -7.175 -0.405 -0.420 531 HB2 LYS 70 1HB LYS 70 -4.775 -0.531 -1.094 532 HB3 LYS 70 2HB LYS 70 -5.101 0.166 0.494 533 HG2 LYS 70 1HG LYS 70 -3.977 -1.370 1.653 534 HG3 LYS 70 2HG LYS 70 -4.486 -2.724 0.667 535 HD2 LYS 70 1HD LYS 70 -2.348 -0.703 -0.093 536 HD3 LYS 70 2HD LYS 70 -2.061 -2.316 0.568 537 HE2 LYS 70 1HE LYS 70 -3.349 -1.684 -2.127 538 HE3 LYS 70 2HE LYS 70 -1.725 -2.296 -1.862 539 HZ1 LYS 70 3HZ LYS 70 -2.984 -4.220 -2.295 540 HZ2 LYS 70 1HZ LYS 70 -4.282 -3.702 -1.444 541 HZ3 LYS 70 2HZ LYS 70 -2.996 -4.238 -0.647 542 H VAL 71 H VAL 71 -8.420 -1.389 -1.798 543 HA VAL 71 HA VAL 71 -7.420 -3.613 -3.469 544 HB VAL 71 HB VAL 71 -10.124 -3.922 -2.157 545 HG11 VAL 71 1HG1 VAL 71 -8.250 -5.822 -3.623 546 HG12 VAL 71 2HG1 VAL 71 -9.687 -6.362 -2.741 547 HG13 VAL 71 3HG1 VAL 71 -9.883 -5.310 -4.119 548 HG21 VAL 71 3HG2 VAL 71 -9.231 -5.658 -0.647 549 HG22 VAL 71 1HG2 VAL 71 -7.580 -5.256 -1.143 550 HG23 VAL 71 2HG2 VAL 71 -8.580 -4.080 -0.246 551 H ALA 72 H ALA 72 -8.880 -3.923 -5.361 552 HA ALA 72 HA ALA 72 -9.774 -1.723 -6.750 553 HB1 ALA 72 3HB ALA 72 -10.495 -4.675 -6.781 554 HB2 ALA 72 1HB ALA 72 -11.201 -3.554 -7.939 555 HB3 ALA 72 2HB ALA 72 -9.435 -3.761 -7.881 556 H SER 73 H SER 73 -11.678 -3.531 -4.405 557 HA SER 73 HA SER 73 -13.944 -1.560 -4.637 558 HB2 SER 73 1HB SER 73 -13.937 -4.511 -4.002 559 HB3 SER 73 2HB SER 73 -15.216 -3.455 -3.375 560 HG SER 73 HG SER 73 -15.896 -4.203 -5.347 561 H ALA 74 H ALA 74 -12.228 -3.576 -2.176 562 HA ALA 74 HA ALA 74 -13.153 -1.935 0.044 563 HB1 ALA 74 3HB ALA 74 -12.795 -4.199 0.539 564 HB2 ALA 74 1HB ALA 74 -11.190 -4.226 -0.206 565 HB3 ALA 74 2HB ALA 74 -11.453 -3.336 1.303 566 H GLU 75 H GLU 75 -12.631 0.068 -0.754 567 HA GLU 75 HA GLU 75 -11.575 2.060 -0.795 568 HB2 GLU 75 1HB GLU 75 -10.363 0.697 1.563 569 HB3 GLU 75 2HB GLU 75 -9.659 2.233 1.061 570 HG2 GLU 75 1HG GLU 75 -11.944 3.256 1.097 571 HG3 GLU 75 2HG GLU 75 -12.590 1.736 1.708 Start of MODEL 18 1 H1 ALA 1 1H ALA 1 -13.232 17.669 -12.780 2 H2 ALA 1 2H ALA 1 -14.557 17.377 -11.856 3 H3 ALA 1 3H ALA 1 -14.402 18.808 -12.639 4 HA ALA 1 HA ALA 1 -12.618 19.519 -11.318 5 HB1 ALA 1 3HB ALA 1 -13.645 19.622 -9.075 6 HB2 ALA 1 1HB ALA 1 -14.819 19.975 -10.353 7 HB3 ALA 1 2HB ALA 1 -14.838 18.393 -9.549 8 H GLY 2 H GLY 2 -13.637 16.543 -9.541 9 HA2 GLY 2 1HA GLY 2 -10.775 15.642 -9.468 10 HA3 GLY 2 2HA GLY 2 -11.845 15.569 -8.066 11 H HIS 3 H HIS 3 -10.830 13.307 -8.526 12 HA HIS 3 HA HIS 3 -12.971 11.618 -9.738 13 HB2 HIS 3 1HB HIS 3 -10.149 11.721 -10.569 14 HB3 HIS 3 2HB HIS 3 -10.565 10.131 -9.963 15 HD1 HIS 3 HD1 HIS 3 -11.132 12.322 -12.983 16 HD2 HIS 3 HD2 HIS 3 -12.608 8.778 -11.202 17 HE1 HIS 3 HE1 HIS 3 -12.484 11.088 -14.803 18 HE2 HIS 3 HE2 HIS 3 -13.390 8.934 -13.690 19 H MET 4 H MET 4 -13.365 9.695 -8.701 20 HA MET 4 HA MET 4 -12.238 9.365 -5.947 21 HB2 MET 4 1HB MET 4 -14.460 8.289 -5.413 22 HB3 MET 4 2HB MET 4 -14.486 10.029 -5.655 23 HG2 MET 4 1HG MET 4 -15.679 9.887 -7.627 24 HG3 MET 4 2HG MET 4 -15.093 8.264 -8.016 25 HE1 MET 4 3HE MET 4 -17.496 8.193 -8.917 26 HE2 MET 4 1HE MET 4 -18.896 7.704 -7.934 27 HE3 MET 4 2HE MET 4 -18.427 9.419 -8.020 28 HA PRO 5 HA PRO 5 -11.075 5.250 -7.126 29 HB2 PRO 5 1HB PRO 5 -11.111 3.860 -4.799 30 HB3 PRO 5 2HB PRO 5 -9.964 5.181 -5.088 31 HG2 PRO 5 1HG PRO 5 -12.622 5.365 -3.633 32 HG3 PRO 5 2HG PRO 5 -11.018 5.931 -3.077 33 HD2 PRO 5 1HD PRO 5 -12.766 7.614 -4.254 34 HD3 PRO 5 2HD PRO 5 -11.026 7.730 -4.620 35 H GLU 6 H GLU 6 -12.812 4.970 -8.530 36 HA GLU 6 HA GLU 6 -15.124 3.329 -7.616 37 HB2 GLU 6 1HB GLU 6 -16.225 3.993 -9.597 38 HB3 GLU 6 2HB GLU 6 -15.458 5.434 -8.938 39 HG2 GLU 6 1HG GLU 6 -13.486 4.832 -10.594 40 HG3 GLU 6 2HG GLU 6 -14.690 3.815 -11.386 41 H GLY 7 H GLY 7 -15.860 1.748 -9.480 42 HA2 GLY 7 1HA GLY 7 -14.126 0.397 -11.180 43 HA3 GLY 7 2HA GLY 7 -13.932 -0.404 -9.616 44 H SER 8 H SER 8 -15.120 -2.166 -9.508 45 HA SER 8 HA SER 8 -17.989 -2.235 -9.943 46 HB2 SER 8 1HB SER 8 -17.912 -4.076 -11.668 47 HB3 SER 8 2HB SER 8 -17.482 -2.465 -12.256 48 HG SER 8 HG SER 8 -15.979 -3.925 -13.048 49 H ALA 9 H ALA 9 -15.564 -4.786 -10.287 50 HA ALA 9 HA ALA 9 -15.823 -5.740 -7.532 51 HB1 ALA 9 3HB ALA 9 -17.158 -7.565 -7.814 52 HB2 ALA 9 1HB ALA 9 -17.828 -6.633 -9.165 53 HB3 ALA 9 2HB ALA 9 -16.612 -7.883 -9.475 54 H SER 10 H SER 10 -13.675 -5.877 -7.146 55 HA SER 10 HA SER 10 -12.042 -7.834 -8.669 56 HB2 SER 10 1HB SER 10 -11.155 -4.982 -8.067 57 HB3 SER 10 2HB SER 10 -10.072 -6.289 -8.579 58 HG SER 10 HG SER 10 -10.747 -5.019 -10.354 59 H LEU 11 H LEU 11 -10.298 -8.683 -7.495 60 HA LEU 11 HA LEU 11 -10.419 -8.391 -4.506 61 HB2 LEU 11 1HB LEU 11 -10.079 -10.780 -6.328 62 HB3 LEU 11 2HB LEU 11 -9.229 -10.774 -4.800 63 HG LEU 11 HG LEU 11 -11.259 -11.996 -4.618 64 HD11 LEU 11 1HD1 LEU 11 -11.762 -11.320 -2.508 65 HD12 LEU 11 2HD1 LEU 11 -11.958 -9.605 -2.952 66 HD13 LEU 11 3HD1 LEU 11 -10.330 -10.298 -2.751 67 HD21 LEU 11 3HD2 LEU 11 -13.472 -11.050 -4.767 68 HD22 LEU 11 1HD2 LEU 11 -12.622 -10.775 -6.302 69 HD23 LEU 11 2HD2 LEU 11 -12.822 -9.443 -5.141 70 H GLN 12 H GLN 12 -8.006 -9.769 -6.743 71 HA GLN 12 HA GLN 12 -5.753 -8.646 -5.311 72 HB2 GLN 12 1HB GLN 12 -6.175 -10.160 -7.889 73 HB3 GLN 12 2HB GLN 12 -4.636 -9.328 -7.654 74 HG2 GLN 12 1HG GLN 12 -4.095 -10.529 -5.693 75 HG3 GLN 12 2HG GLN 12 -5.735 -11.159 -5.495 76 HE21 GLN 12 2HE2 GLN 12 -2.847 -12.428 -6.006 77 HE22 GLN 12 1HE2 GLN 12 -3.280 -13.643 -7.206 78 H LEU 13 H LEU 13 -4.285 -7.122 -6.015 79 HA LEU 13 HA LEU 13 -5.432 -4.905 -7.653 80 HB2 LEU 13 1HB LEU 13 -4.609 -4.904 -4.977 81 HB3 LEU 13 2HB LEU 13 -3.179 -4.334 -5.816 82 HG LEU 13 HG LEU 13 -5.000 -2.789 -7.073 83 HD11 LEU 13 1HD1 LEU 13 -6.997 -3.611 -6.016 84 HD12 LEU 13 2HD1 LEU 13 -6.678 -1.992 -5.364 85 HD13 LEU 13 3HD1 LEU 13 -6.294 -3.432 -4.392 86 HD21 LEU 13 3HD2 LEU 13 -3.023 -2.104 -5.687 87 HD22 LEU 13 1HD2 LEU 13 -4.127 -1.991 -4.300 88 HD23 LEU 13 2HD2 LEU 13 -4.416 -1.008 -5.737 89 H ALA 14 H ALA 14 -3.804 -3.558 -8.794 90 HA ALA 14 HA ALA 14 -1.250 -4.856 -9.489 91 HB1 ALA 14 3HB ALA 14 -2.918 -5.808 -11.073 92 HB2 ALA 14 1HB ALA 14 -3.376 -4.164 -11.573 93 HB3 ALA 14 2HB ALA 14 -1.741 -4.780 -11.905 94 H VAL 15 H VAL 15 0.019 -3.422 -10.999 95 HA VAL 15 HA VAL 15 0.290 -0.781 -9.904 96 HB VAL 15 HB VAL 15 1.466 -1.921 -12.468 97 HG11 VAL 15 1HG1 VAL 15 2.161 0.567 -10.841 98 HG12 VAL 15 2HG1 VAL 15 3.182 -0.113 -12.124 99 HG13 VAL 15 3HG1 VAL 15 1.587 0.522 -12.523 100 HG21 VAL 15 3HG2 VAL 15 2.544 -1.721 -9.613 101 HG22 VAL 15 1HG2 VAL 15 2.184 -3.214 -10.509 102 HG23 VAL 15 2HG2 VAL 15 3.512 -2.179 -11.033 103 H GLY 16 H GLY 16 -0.537 1.126 -10.432 104 HA2 GLY 16 1HA GLY 16 -1.628 2.767 -11.675 105 HA3 GLY 16 2HA GLY 16 -2.012 1.602 -12.937 106 H ASP 17 H ASP 17 -3.056 -0.038 -10.273 107 HA ASP 17 HA ASP 17 -5.836 0.750 -10.646 108 HB2 ASP 17 1HB ASP 17 -4.765 -1.595 -10.035 109 HB3 ASP 17 2HB ASP 17 -4.886 -0.987 -8.382 110 H ARG 18 H ARG 18 -7.221 1.196 -8.644 111 HA ARG 18 HA ARG 18 -6.084 3.540 -7.221 112 HB2 ARG 18 1HB ARG 18 -8.787 2.666 -8.092 113 HB3 ARG 18 2HB ARG 18 -8.778 3.234 -6.432 114 HG2 ARG 18 1HG ARG 18 -7.622 4.806 -8.775 115 HG3 ARG 18 2HG ARG 18 -9.242 5.008 -8.125 116 HD2 ARG 18 1HD ARG 18 -7.790 5.252 -5.812 117 HD3 ARG 18 2HD ARG 18 -6.608 5.863 -6.959 118 HE ARG 18 HE ARG 18 -8.934 7.204 -5.965 119 HH11 ARG 18 1HH1 ARG 18 -7.154 7.000 -8.960 120 HH12 ARG 18 2HH1 ARG 18 -7.677 8.572 -9.490 121 HH21 ARG 18 1HH2 ARG 18 -9.512 9.240 -6.651 122 HH22 ARG 18 2HH2 ARG 18 -8.910 9.818 -8.161 123 H VAL 19 H VAL 19 -6.269 3.868 -5.031 124 HA VAL 19 HA VAL 19 -7.001 1.629 -3.256 125 HB VAL 19 HB VAL 19 -4.938 1.940 -1.891 126 HG11 VAL 19 1HG1 VAL 19 -4.298 1.037 -4.716 127 HG12 VAL 19 2HG1 VAL 19 -3.534 0.490 -3.218 128 HG13 VAL 19 3HG1 VAL 19 -5.232 0.078 -3.564 129 HG21 VAL 19 3HG2 VAL 19 -4.241 4.141 -2.857 130 HG22 VAL 19 1HG2 VAL 19 -2.945 2.938 -2.802 131 HG23 VAL 19 2HG2 VAL 19 -3.750 3.302 -4.346 132 H VAL 20 H VAL 20 -7.601 2.253 -1.250 133 HA VAL 20 HA VAL 20 -7.698 5.124 -0.528 134 HB VAL 20 HB VAL 20 -9.833 4.576 -1.545 135 HG11 VAL 20 1HG1 VAL 20 -11.381 2.925 -0.437 136 HG12 VAL 20 2HG1 VAL 20 -10.034 2.215 -1.336 137 HG13 VAL 20 3HG1 VAL 20 -9.974 2.286 0.435 138 HG21 VAL 20 3HG2 VAL 20 -10.181 4.800 1.461 139 HG22 VAL 20 1HG2 VAL 20 -9.830 6.144 0.350 140 HG23 VAL 20 2HG2 VAL 20 -11.347 5.244 0.211 141 H TYR 21 H TYR 21 -7.872 5.468 1.738 142 HA TYR 21 HA TYR 21 -6.994 3.196 3.482 143 HB2 TYR 21 1HB TYR 21 -5.877 5.972 3.088 144 HB3 TYR 21 2HB TYR 21 -5.779 5.238 4.649 145 HD1 TYR 21 HD2 TYR 21 -4.858 4.655 1.053 146 HD2 TYR 21 HD1 TYR 21 -4.058 3.753 5.200 147 HE1 TYR 21 HE2 TYR 21 -2.844 3.353 0.389 148 HE2 TYR 21 HE1 TYR 21 -2.125 2.425 4.552 149 HH TYR 21 HH TYR 21 -1.093 2.103 1.095 150 HA PRO 22 HA PRO 22 -10.180 4.394 6.228 151 HB2 PRO 22 1HB PRO 22 -9.209 3.809 8.711 152 HB3 PRO 22 2HB PRO 22 -9.514 2.557 7.472 153 HG2 PRO 22 1HG PRO 22 -6.870 3.900 8.133 154 HG3 PRO 22 2HG PRO 22 -7.212 2.147 7.979 155 HD2 PRO 22 1HD PRO 22 -6.161 3.561 5.903 156 HD3 PRO 22 2HD PRO 22 -7.356 2.296 5.630 157 H ASN 23 H ASN 23 -7.192 6.061 6.459 158 HA ASN 23 HA ASN 23 -8.502 8.551 7.302 159 HB2 ASN 23 1HB ASN 23 -7.739 7.250 9.411 160 HB3 ASN 23 2HB ASN 23 -6.090 7.599 8.906 161 HD21 ASN 23 2HD2 ASN 23 -8.800 8.765 10.634 162 HD22 ASN 23 1HD2 ASN 23 -8.224 10.418 10.821 163 H GLN 24 H GLN 24 -5.390 6.986 6.469 164 HA GLN 24 HA GLN 24 -3.869 9.144 5.672 165 HB2 GLN 24 1HB GLN 24 -3.911 6.247 5.154 166 HB3 GLN 24 2HB GLN 24 -3.185 7.125 3.826 167 HG2 GLN 24 1HG GLN 24 -2.333 7.322 6.746 168 HG3 GLN 24 2HG GLN 24 -1.603 6.268 5.535 169 HE21 GLN 24 2HE2 GLN 24 0.440 7.548 6.242 170 HE22 GLN 24 1HE2 GLN 24 0.700 9.037 5.337 171 H GLY 25 H GLY 25 -6.574 7.885 3.811 172 HA2 GLY 25 1HA GLY 25 -7.717 9.181 2.174 173 HA3 GLY 25 2HA GLY 25 -6.245 10.085 1.833 174 H VAL 26 H VAL 26 -7.231 9.571 -0.387 175 HA VAL 26 HA VAL 26 -6.777 6.870 -1.436 176 HB VAL 26 HB VAL 26 -7.381 7.764 -3.614 177 HG11 VAL 26 1HG1 VAL 26 -9.137 7.004 -2.105 178 HG12 VAL 26 2HG1 VAL 26 -9.260 8.617 -1.366 179 HG13 VAL 26 3HG1 VAL 26 -9.710 8.390 -3.055 180 HG21 VAL 26 3HG2 VAL 26 -7.645 10.480 -2.251 181 HG22 VAL 26 1HG2 VAL 26 -6.481 10.044 -3.518 182 HG23 VAL 26 2HG2 VAL 26 -8.206 10.073 -3.885 183 H CYS 27 H CYS 27 -5.236 6.179 -2.832 184 HA CYS 27 HA CYS 27 -2.907 7.914 -3.448 185 HB2 CYS 27 1HB CYS 27 -2.519 5.166 -2.174 186 HB3 CYS 27 2HB CYS 27 -1.278 6.315 -2.647 187 HG CYS 27 HG CYS 27 -3.661 6.645 -0.349 188 H ARG 28 H ARG 28 -1.289 6.351 -4.817 189 HA ARG 28 HA ARG 28 -2.885 4.966 -6.921 190 HB2 ARG 28 1HB ARG 28 -1.957 7.618 -7.023 191 HB3 ARG 28 2HB ARG 28 -0.738 6.750 -7.934 192 HG2 ARG 28 1HG ARG 28 -2.250 6.095 -9.600 193 HG3 ARG 28 2HG ARG 28 -3.676 6.285 -8.553 194 HD2 ARG 28 1HD ARG 28 -3.664 8.609 -8.651 195 HD3 ARG 28 2HD ARG 28 -1.967 8.700 -9.157 196 HE ARG 28 HE ARG 28 -3.145 7.422 -11.279 197 HH11 ARG 28 1HH1 ARG 28 -3.862 10.468 -9.714 198 HH12 ARG 28 2HH1 ARG 28 -4.252 11.256 -11.218 199 HH21 ARG 28 1HH2 ARG 28 -3.626 8.485 -13.163 200 HH22 ARG 28 2HH2 ARG 28 -4.123 10.150 -13.116 201 H VAL 29 H VAL 29 -2.088 3.008 -7.302 202 HA VAL 29 HA VAL 29 0.297 2.050 -6.046 203 HB VAL 29 HB VAL 29 -1.249 0.732 -8.288 204 HG11 VAL 29 1HG1 VAL 29 -0.353 -1.363 -7.353 205 HG12 VAL 29 2HG1 VAL 29 0.986 -0.328 -7.852 206 HG13 VAL 29 3HG1 VAL 29 0.573 -0.461 -6.135 207 HG21 VAL 29 3HG2 VAL 29 -2.116 1.377 -5.622 208 HG22 VAL 29 1HG2 VAL 29 -2.886 0.327 -6.823 209 HG23 VAL 29 2HG2 VAL 29 -1.747 -0.333 -5.626 210 H SER 30 H SER 30 2.331 1.952 -6.592 211 HA SER 30 HA SER 30 3.212 2.923 -9.284 212 HB2 SER 30 1HB SER 30 3.681 4.426 -7.469 213 HB3 SER 30 2HB SER 30 4.458 3.149 -6.520 214 HG SER 30 HG SER 30 6.185 3.183 -7.848 215 H ALA 31 H ALA 31 4.140 0.644 -6.641 216 HA ALA 31 HA ALA 31 4.883 -1.399 -8.586 217 HB1 ALA 31 3HB ALA 31 7.215 -1.622 -7.669 218 HB2 ALA 31 1HB ALA 31 6.963 -0.096 -8.535 219 HB3 ALA 31 2HB ALA 31 6.973 -0.109 -6.759 220 H ILE 32 H ILE 32 5.400 -3.466 -7.496 221 HA ILE 32 HA ILE 32 4.696 -3.701 -4.630 222 HB ILE 32 HB ILE 32 3.281 -5.345 -6.776 223 HG12 ILE 32 1HG1 ILE 32 2.128 -3.153 -4.993 224 HG13 ILE 32 2HG1 ILE 32 2.349 -3.058 -6.725 225 HG21 ILE 32 1HG2 ILE 32 3.216 -5.378 -3.723 226 HG22 ILE 32 2HG2 ILE 32 2.015 -6.217 -4.729 227 HG23 ILE 32 3HG2 ILE 32 3.703 -6.684 -4.814 228 HD11 ILE 32 3HD1 ILE 32 0.254 -3.722 -6.961 229 HD12 ILE 32 1HD1 ILE 32 0.777 -5.347 -6.493 230 HD13 ILE 32 2HD1 ILE 32 0.118 -4.228 -5.275 231 H ASP 33 H ASP 33 6.105 -5.075 -3.650 232 HA ASP 33 HA ASP 33 7.141 -7.397 -5.088 233 HB2 ASP 33 1HB ASP 33 8.710 -5.030 -5.090 234 HB3 ASP 33 2HB ASP 33 9.409 -6.014 -3.816 235 H VAL 34 H VAL 34 8.621 -8.728 -3.586 236 HA VAL 34 HA VAL 34 7.537 -8.601 -0.784 237 HB VAL 34 HB VAL 34 7.943 -10.925 -0.512 238 HG11 VAL 34 1HG1 VAL 34 5.890 -11.262 -1.284 239 HG12 VAL 34 2HG1 VAL 34 6.015 -9.917 -2.422 240 HG13 VAL 34 3HG1 VAL 34 6.518 -11.528 -2.912 241 HG21 VAL 34 3HG2 VAL 34 9.005 -10.990 -3.358 242 HG22 VAL 34 1HG2 VAL 34 9.900 -11.346 -1.862 243 HG23 VAL 34 2HG2 VAL 34 8.602 -12.419 -2.379 244 H LYS 35 H LYS 35 8.894 -8.645 0.979 245 HA LYS 35 HA LYS 35 11.747 -9.109 0.674 246 HB2 LYS 35 1HB LYS 35 12.541 -6.963 1.401 247 HB3 LYS 35 2HB LYS 35 11.640 -6.753 -0.081 248 HG2 LYS 35 1HG LYS 35 9.799 -5.722 1.009 249 HG3 LYS 35 2HG LYS 35 10.326 -6.224 2.626 250 HD2 LYS 35 1HD LYS 35 11.919 -4.338 0.848 251 HD3 LYS 35 2HD LYS 35 10.741 -3.784 2.048 252 HE2 LYS 35 1HE LYS 35 12.016 -4.389 3.865 253 HE3 LYS 35 2HE LYS 35 12.791 -5.734 3.036 254 HZ1 LYS 35 3HZ LYS 35 13.448 -2.869 2.601 255 HZ2 LYS 35 1HZ LYS 35 14.130 -4.113 1.787 256 HZ3 LYS 35 2HZ LYS 35 14.376 -3.960 3.388 257 H GLU 36 H GLU 36 12.907 -8.720 2.760 258 HA GLU 36 HA GLU 36 11.249 -9.548 5.100 259 HB2 GLU 36 1HB GLU 36 13.707 -10.592 4.062 260 HB3 GLU 36 2HB GLU 36 14.118 -9.735 5.535 261 HG2 GLU 36 1HG GLU 36 11.875 -11.157 6.339 262 HG3 GLU 36 2HG GLU 36 12.590 -12.221 5.125 263 H VAL 37 H VAL 37 10.715 -7.955 6.432 264 HA VAL 37 HA VAL 37 12.804 -5.918 7.136 265 HB VAL 37 HB VAL 37 11.048 -4.933 5.677 266 HG11 VAL 37 1HG1 VAL 37 8.825 -4.518 6.469 267 HG12 VAL 37 2HG1 VAL 37 9.124 -6.269 6.580 268 HG13 VAL 37 3HG1 VAL 37 9.161 -5.269 8.042 269 HG21 VAL 37 3HG2 VAL 37 11.062 -3.792 8.501 270 HG22 VAL 37 1HG2 VAL 37 12.365 -3.578 7.306 271 HG23 VAL 37 2HG2 VAL 37 10.749 -2.924 6.985 272 H ALA 38 H ALA 38 13.092 -5.541 9.281 273 HA ALA 38 HA ALA 38 13.223 -6.150 11.467 274 HB1 ALA 38 3HB ALA 38 10.203 -5.932 11.350 275 HB2 ALA 38 1HB ALA 38 11.266 -5.595 12.737 276 HB3 ALA 38 2HB ALA 38 11.309 -4.539 11.311 277 H GLY 39 H GLY 39 13.157 -8.492 9.722 278 HA2 GLY 39 1HA GLY 39 13.361 -10.777 10.094 279 HA3 GLY 39 2HA GLY 39 12.634 -10.608 11.687 280 H GLN 40 H GLN 40 10.919 -9.373 8.843 281 HA GLN 40 HA GLN 40 9.021 -11.674 8.850 282 HB2 GLN 40 1HB GLN 40 8.587 -8.873 9.692 283 HB3 GLN 40 2HB GLN 40 7.454 -9.392 8.446 284 HG2 GLN 40 1HG GLN 40 6.810 -11.348 9.742 285 HG3 GLN 40 2HG GLN 40 7.983 -10.947 11.006 286 HE21 GLN 40 2HE2 GLN 40 7.623 -8.226 11.430 287 HE22 GLN 40 1HE2 GLN 40 5.989 -7.969 12.013 288 H LYS 41 H LYS 41 8.988 -12.513 6.922 289 HA LYS 41 HA LYS 41 9.545 -10.873 4.521 290 HB2 LYS 41 1HB LYS 41 10.664 -13.195 5.159 291 HB3 LYS 41 2HB LYS 41 9.222 -13.864 4.421 292 HG2 LYS 41 1HG LYS 41 9.645 -12.476 2.364 293 HG3 LYS 41 2HG LYS 41 11.127 -11.851 3.107 294 HD2 LYS 41 1HD LYS 41 12.109 -14.092 3.158 295 HD3 LYS 41 2HD LYS 41 10.589 -14.799 2.563 296 HE2 LYS 41 1HE LYS 41 10.807 -13.359 0.497 297 HE3 LYS 41 2HE LYS 41 12.402 -12.850 1.064 298 HZ1 LYS 41 3HZ LYS 41 13.122 -15.163 0.957 299 HZ2 LYS 41 1HZ LYS 41 12.505 -14.744 -0.495 300 HZ3 LYS 41 2HZ LYS 41 11.630 -15.671 0.522 301 H LEU 42 H LEU 42 7.879 -10.009 3.466 302 HA LEU 42 HA LEU 42 5.608 -11.648 2.692 303 HB2 LEU 42 1HB LEU 42 3.882 -10.698 3.929 304 HB3 LEU 42 2HB LEU 42 5.134 -10.899 5.105 305 HG LEU 42 HG LEU 42 5.620 -8.318 4.151 306 HD11 LEU 42 1HD1 LEU 42 3.251 -8.746 3.045 307 HD12 LEU 42 2HD1 LEU 42 3.693 -7.219 3.776 308 HD13 LEU 42 3HD1 LEU 42 2.664 -8.402 4.669 309 HD21 LEU 42 3HD2 LEU 42 5.730 -8.930 6.503 310 HD22 LEU 42 1HD2 LEU 42 3.972 -9.193 6.556 311 HD23 LEU 42 2HD2 LEU 42 4.628 -7.561 6.304 312 H THR 43 H THR 43 3.971 -10.299 1.377 313 HA THR 43 HA THR 43 5.364 -8.717 -0.626 314 HB THR 43 HB THR 43 2.337 -8.923 -0.269 315 HG1 THR 43 HG1 THR 43 2.411 -10.834 -1.340 316 HG21 THR 43 3HG2 THR 43 4.232 -8.329 -2.557 317 HG22 THR 43 1HG2 THR 43 2.707 -7.530 -2.101 318 HG23 THR 43 2HG2 THR 43 2.678 -9.119 -2.897 319 H PHE 44 H PHE 44 5.884 -6.579 -0.427 320 HA PHE 44 HA PHE 44 4.110 -4.802 1.238 321 HB2 PHE 44 1HB PHE 44 7.067 -4.545 0.605 322 HB3 PHE 44 2HB PHE 44 6.069 -3.298 1.346 323 HD1 PHE 44 HD2 PHE 44 5.111 -3.571 3.626 324 HD2 PHE 44 HD1 PHE 44 7.829 -6.461 1.936 325 HE1 PHE 44 HE2 PHE 44 5.445 -4.609 5.897 326 HE2 PHE 44 HE1 PHE 44 8.179 -7.440 4.190 327 HZ PHE 44 HZ PHE 44 6.917 -6.571 6.128 328 H VAL 45 H VAL 45 2.795 -3.646 0.077 329 HA VAL 45 HA VAL 45 3.221 -3.124 -2.809 330 HB VAL 45 HB VAL 45 1.035 -1.963 -2.693 331 HG11 VAL 45 1HG1 VAL 45 1.212 -4.335 -3.313 332 HG12 VAL 45 2HG1 VAL 45 1.113 -4.810 -1.625 333 HG13 VAL 45 3HG1 VAL 45 -0.283 -4.037 -2.433 334 HG21 VAL 45 3HG2 VAL 45 0.751 -3.130 0.108 335 HG22 VAL 45 1HG2 VAL 45 1.009 -1.398 -0.223 336 HG23 VAL 45 2HG2 VAL 45 -0.445 -2.219 -0.804 337 H THR 46 H THR 46 3.696 -1.098 -3.682 338 HA THR 46 HA THR 46 4.257 1.153 -1.800 339 HB THR 46 HB THR 46 5.812 0.640 -4.347 340 HG1 THR 46 HG1 THR 46 6.501 -0.132 -1.701 341 HG21 THR 46 3HG2 THR 46 7.390 2.189 -3.438 342 HG22 THR 46 1HG2 THR 46 6.624 2.168 -1.834 343 HG23 THR 46 2HG2 THR 46 5.804 2.949 -3.205 344 H MET 47 H MET 47 2.950 2.795 -2.159 345 HA MET 47 HA MET 47 1.968 3.375 -4.917 346 HB2 MET 47 1HB MET 47 0.461 3.957 -2.350 347 HB3 MET 47 2HB MET 47 -0.126 4.029 -3.999 348 HG2 MET 47 1HG MET 47 -1.055 2.057 -3.430 349 HG3 MET 47 2HG MET 47 0.489 1.400 -3.934 350 HE1 MET 47 3HE MET 47 -2.172 1.112 -1.445 351 HE2 MET 47 1HE MET 47 -1.415 -0.306 -2.213 352 HE3 MET 47 2HE MET 47 -1.369 -0.107 -0.442 353 H ARG 48 H ARG 48 1.490 5.626 -5.309 354 HA ARG 48 HA ARG 48 2.908 7.613 -3.599 355 HB2 ARG 48 1HB ARG 48 3.350 7.482 -6.601 356 HB3 ARG 48 2HB ARG 48 4.125 8.558 -5.432 357 HG2 ARG 48 1HG ARG 48 5.168 6.499 -4.358 358 HG3 ARG 48 2HG ARG 48 4.529 5.546 -5.687 359 HD2 ARG 48 1HD ARG 48 6.543 7.803 -5.873 360 HD3 ARG 48 2HD ARG 48 6.848 6.068 -6.108 361 HE ARG 48 HE ARG 48 4.943 6.586 -8.005 362 HH11 ARG 48 1HH1 ARG 48 8.112 7.922 -7.439 363 HH12 ARG 48 2HH1 ARG 48 8.309 8.411 -9.100 364 HH21 ARG 48 1HH2 ARG 48 5.201 7.289 -10.081 365 HH22 ARG 48 2HH2 ARG 48 6.690 8.047 -10.558 366 H ARG 49 H ARG 49 1.708 9.304 -3.278 367 HA ARG 49 HA ARG 49 -0.801 9.762 -4.869 368 HB2 ARG 49 1HB ARG 49 -1.380 11.385 -3.090 369 HB3 ARG 49 2HB ARG 49 -1.156 9.737 -2.525 370 HG2 ARG 49 1HG ARG 49 1.388 10.997 -2.227 371 HG3 ARG 49 2HG ARG 49 0.225 12.181 -1.698 372 HD2 ARG 49 1HD ARG 49 0.026 9.307 -0.732 373 HD3 ARG 49 2HD ARG 49 1.239 10.381 -0.039 374 HE ARG 49 HE ARG 49 -0.938 11.952 0.186 375 HH11 ARG 49 1HH1 ARG 49 -0.675 8.564 1.122 376 HH12 ARG 49 2HH1 ARG 49 -1.482 8.930 2.647 377 HH21 ARG 49 1HH2 ARG 49 -2.158 12.165 2.021 378 HH22 ARG 49 2HH2 ARG 49 -2.534 10.711 2.921 379 H GLU 50 H GLU 50 -0.423 10.790 -6.682 380 HA GLU 50 HA GLU 50 1.544 12.873 -7.098 381 HB2 GLU 50 1HB GLU 50 -0.925 12.008 -8.642 382 HB3 GLU 50 2HB GLU 50 0.156 13.298 -9.188 383 HG2 GLU 50 1HG GLU 50 2.045 11.786 -9.312 384 HG3 GLU 50 2HG GLU 50 1.114 10.475 -8.583 385 H GLU 51 H GLU 51 -1.545 12.960 -5.587 386 HA GLU 51 HA GLU 51 -2.425 15.608 -6.068 387 HB2 GLU 51 1HB GLU 51 -2.688 13.994 -3.493 388 HB3 GLU 51 2HB GLU 51 -3.632 15.413 -3.952 389 HG2 GLU 51 1HG GLU 51 -4.300 14.013 -6.063 390 HG3 GLU 51 2HG GLU 51 -3.720 12.627 -5.135 391 H ASP 52 H ASP 52 -0.072 14.445 -3.697 392 HA ASP 52 HA ASP 52 0.756 17.277 -3.145 393 HB2 ASP 52 1HB ASP 52 -0.583 16.035 -1.291 394 HB3 ASP 52 2HB ASP 52 0.889 15.090 -1.061 395 H GLY 53 H GLY 53 1.784 14.168 -4.170 396 HA2 GLY 53 1HA GLY 53 3.803 13.528 -5.062 397 HA3 GLY 53 2HA GLY 53 4.543 15.043 -4.537 398 H ALA 54 H ALA 54 2.955 12.300 -2.838 399 HA ALA 54 HA ALA 54 5.442 11.863 -1.217 400 HB1 ALA 54 3HB ALA 54 2.587 12.231 -0.272 401 HB2 ALA 54 1HB ALA 54 3.746 11.266 0.673 402 HB3 ALA 54 2HB ALA 54 4.082 12.975 0.325 403 H VAL 55 H VAL 55 5.565 9.756 -0.205 404 HA VAL 55 HA VAL 55 4.443 7.580 -1.932 405 HB VAL 55 HB VAL 55 6.357 6.249 -1.472 406 HG11 VAL 55 1HG1 VAL 55 6.526 7.930 -3.322 407 HG12 VAL 55 2HG1 VAL 55 7.360 9.030 -2.215 408 HG13 VAL 55 3HG1 VAL 55 8.094 7.471 -2.636 409 HG21 VAL 55 3HG2 VAL 55 6.937 6.900 0.821 410 HG22 VAL 55 1HG2 VAL 55 8.337 7.071 -0.238 411 HG23 VAL 55 2HG2 VAL 55 7.434 8.514 0.263 412 H VAL 56 H VAL 56 3.782 5.650 -0.972 413 HA VAL 56 HA VAL 56 3.598 5.415 1.957 414 HB VAL 56 HB VAL 56 1.658 6.722 1.547 415 HG11 VAL 56 1HG1 VAL 56 1.434 5.556 -0.996 416 HG12 VAL 56 2HG1 VAL 56 0.020 4.975 -0.113 417 HG13 VAL 56 3HG1 VAL 56 0.360 6.715 -0.236 418 HG21 VAL 56 3HG2 VAL 56 0.761 3.844 1.880 419 HG22 VAL 56 1HG2 VAL 56 1.469 4.855 3.159 420 HG23 VAL 56 2HG2 VAL 56 -0.084 5.306 2.427 421 H MET 57 H MET 57 4.112 3.387 2.445 422 HA MET 57 HA MET 57 3.370 1.226 0.566 423 HB2 MET 57 1HB MET 57 5.479 0.175 0.738 424 HB3 MET 57 2HB MET 57 5.782 1.876 0.358 425 HG2 MET 57 1HG MET 57 6.221 2.273 2.787 426 HG3 MET 57 2HG MET 57 6.004 0.538 3.066 427 HE1 MET 57 3HE MET 57 9.799 0.861 3.673 428 HE2 MET 57 1HE MET 57 8.412 1.830 4.222 429 HE3 MET 57 2HE MET 57 8.302 0.055 4.193 430 H VAL 58 H VAL 58 2.641 -0.638 1.430 431 HA VAL 58 HA VAL 58 2.680 -0.988 4.357 432 HB VAL 58 HB VAL 58 0.259 -1.507 4.501 433 HG11 VAL 58 1HG1 VAL 58 1.116 0.674 5.222 434 HG12 VAL 58 2HG1 VAL 58 0.784 1.336 3.604 435 HG13 VAL 58 3HG1 VAL 58 -0.547 0.753 4.616 436 HG21 VAL 58 3HG2 VAL 58 -0.288 -2.030 2.207 437 HG22 VAL 58 1HG2 VAL 58 -1.312 -0.724 2.814 438 HG23 VAL 58 2HG2 VAL 58 0.032 -0.344 1.720 439 HA PRO 59 HA PRO 59 3.010 -5.247 3.284 440 HB2 PRO 59 1HB PRO 59 2.025 -6.457 5.519 441 HB3 PRO 59 2HB PRO 59 3.585 -5.634 5.496 442 HG2 PRO 59 1HG PRO 59 0.931 -4.544 6.432 443 HG3 PRO 59 2HG PRO 59 2.515 -4.464 7.282 444 HD2 PRO 59 1HD PRO 59 1.624 -2.387 5.862 445 HD3 PRO 59 2HD PRO 59 3.339 -2.861 5.749 446 H GLU 60 H GLU 60 1.740 -6.243 1.778 447 HA GLU 60 HA GLU 60 -1.155 -6.084 1.725 448 HB2 GLU 60 1HB GLU 60 0.957 -7.098 -0.006 449 HB3 GLU 60 2HB GLU 60 -0.344 -8.279 0.086 450 HG2 GLU 60 1HG GLU 60 -0.755 -5.335 -0.476 451 HG3 GLU 60 2HG GLU 60 -0.516 -6.542 -1.740 452 H GLY 61 H GLY 61 1.041 -8.575 2.927 453 HA2 GLY 61 1HA GLY 61 -1.218 -10.390 3.650 454 HA3 GLY 61 2HA GLY 61 0.509 -10.740 3.814 455 H LYS 62 H LYS 62 -0.133 -7.700 5.047 456 HA LYS 62 HA LYS 62 -0.788 -8.636 7.813 457 HB2 LYS 62 1HB LYS 62 1.792 -8.219 7.076 458 HB3 LYS 62 2HB LYS 62 1.317 -6.573 7.521 459 HG2 LYS 62 1HG LYS 62 0.796 -7.223 9.759 460 HG3 LYS 62 2HG LYS 62 1.167 -8.926 9.384 461 HD2 LYS 62 1HD LYS 62 3.476 -8.490 9.063 462 HD3 LYS 62 2HD LYS 62 3.248 -6.773 8.760 463 HE2 LYS 62 1HE LYS 62 4.302 -7.163 10.921 464 HE3 LYS 62 2HE LYS 62 2.752 -6.342 11.110 465 HZ1 LYS 62 3HZ LYS 62 1.762 -8.364 11.892 466 HZ2 LYS 62 1HZ LYS 62 3.190 -8.242 12.696 467 HZ3 LYS 62 2HZ LYS 62 3.073 -9.281 11.433 468 H VAL 63 H VAL 63 -1.655 -6.512 5.381 469 HA VAL 63 HA VAL 63 -2.295 -4.093 6.508 470 HB VAL 63 HB VAL 63 -4.427 -4.182 5.234 471 HG11 VAL 63 1HG1 VAL 63 -2.191 -4.791 3.341 472 HG12 VAL 63 2HG1 VAL 63 -3.534 -3.664 3.180 473 HG13 VAL 63 3HG1 VAL 63 -2.217 -3.306 4.316 474 HG21 VAL 63 3HG2 VAL 63 -3.608 -6.530 3.638 475 HG22 VAL 63 1HG2 VAL 63 -4.362 -6.861 5.202 476 HG23 VAL 63 2HG2 VAL 63 -5.211 -5.867 4.006 477 H LEU 64 H LEU 64 -3.820 -7.123 7.263 478 HA LEU 64 HA LEU 64 -6.156 -6.312 8.608 479 HB2 LEU 64 1HB LEU 64 -4.406 -8.672 9.388 480 HB3 LEU 64 2HB LEU 64 -6.148 -8.507 9.567 481 HG LEU 64 HG LEU 64 -4.586 -8.963 6.969 482 HD11 LEU 64 1HD1 LEU 64 -5.897 -11.052 6.933 483 HD12 LEU 64 2HD1 LEU 64 -6.659 -10.615 8.477 484 HD13 LEU 64 3HD1 LEU 64 -4.911 -10.933 8.400 485 HD21 LEU 64 3HD2 LEU 64 -6.795 -9.093 5.852 486 HD22 LEU 64 1HD2 LEU 64 -6.494 -7.463 6.460 487 HD23 LEU 64 2HD2 LEU 64 -7.595 -8.545 7.344 488 H ALA 65 H ALA 65 -2.815 -6.224 9.700 489 HA ALA 65 HA ALA 65 -3.357 -5.759 12.523 490 HB1 ALA 65 3HB ALA 65 -0.951 -5.430 12.651 491 HB2 ALA 65 1HB ALA 65 -1.282 -6.842 11.628 492 HB3 ALA 65 2HB ALA 65 -0.819 -5.293 10.888 493 H ILE 66 H ILE 66 -2.282 -3.675 9.796 494 HA ILE 66 HA ILE 66 -2.361 -1.207 11.319 495 HB ILE 66 HB ILE 66 -2.493 -1.442 8.285 496 HG12 ILE 66 1HG1 ILE 66 0.160 -0.900 8.801 497 HG13 ILE 66 2HG1 ILE 66 -0.198 -1.940 10.172 498 HG21 ILE 66 1HG2 ILE 66 -1.192 0.700 10.057 499 HG22 ILE 66 2HG2 ILE 66 -1.443 0.754 8.299 500 HG23 ILE 66 3HG2 ILE 66 -2.815 0.875 9.401 501 HD11 ILE 66 3HD1 ILE 66 -0.465 -2.549 7.199 502 HD12 ILE 66 1HD1 ILE 66 0.643 -3.281 8.388 503 HD13 ILE 66 2HD1 ILE 66 -1.092 -3.631 8.460 504 H GLY 67 H GLY 67 -4.741 -2.964 9.420 505 HA2 GLY 67 1HA GLY 67 -7.081 -2.825 9.606 506 HA3 GLY 67 2HA GLY 67 -6.956 -1.251 10.389 507 H VAL 68 H VAL 68 -5.040 -1.491 7.577 508 HA VAL 68 HA VAL 68 -6.791 0.403 6.125 509 HB VAL 68 HB VAL 68 -4.877 0.894 4.736 510 HG11 VAL 68 1HG1 VAL 68 -4.927 2.031 6.910 511 HG12 VAL 68 2HG1 VAL 68 -4.075 0.692 7.661 512 HG13 VAL 68 3HG1 VAL 68 -3.254 1.693 6.461 513 HG21 VAL 68 3HG2 VAL 68 -3.478 -1.444 6.101 514 HG22 VAL 68 1HG2 VAL 68 -3.747 -1.175 4.363 515 HG23 VAL 68 2HG2 VAL 68 -2.611 -0.155 5.242 516 H ARG 69 H ARG 69 -7.902 -0.089 4.236 517 HA ARG 69 HA ARG 69 -7.257 -2.764 2.963 518 HB2 ARG 69 1HB ARG 69 -9.736 -1.766 4.125 519 HB3 ARG 69 2HB ARG 69 -9.959 -1.953 2.408 520 HG2 ARG 69 1HG ARG 69 -10.578 -4.003 3.375 521 HG3 ARG 69 2HG ARG 69 -9.025 -4.295 2.598 522 HD2 ARG 69 1HD ARG 69 -8.282 -5.132 4.574 523 HD3 ARG 69 2HD ARG 69 -8.334 -3.500 5.221 524 HE ARG 69 HE ARG 69 -10.161 -4.054 6.496 525 HH11 ARG 69 1HH1 ARG 69 -9.993 -6.473 3.978 526 HH12 ARG 69 2HH1 ARG 69 -11.293 -7.413 4.658 527 HH21 ARG 69 1HH2 ARG 69 -11.793 -5.299 7.332 528 HH22 ARG 69 2HH2 ARG 69 -12.274 -6.758 6.518 529 H LYS 70 H LYS 70 -6.120 -2.374 1.287 530 HA LYS 70 HA LYS 70 -6.700 -0.117 -0.573 531 HB2 LYS 70 1HB LYS 70 -4.698 -1.104 -1.793 532 HB3 LYS 70 2HB LYS 70 -4.399 -0.389 -0.218 533 HG2 LYS 70 1HG LYS 70 -3.535 -2.258 0.612 534 HG3 LYS 70 2HG LYS 70 -4.852 -3.278 0.053 535 HD2 LYS 70 1HD LYS 70 -2.646 -2.297 -1.803 536 HD3 LYS 70 2HD LYS 70 -2.492 -3.763 -0.853 537 HE2 LYS 70 1HE LYS 70 -4.673 -3.217 -2.909 538 HE3 LYS 70 2HE LYS 70 -3.223 -4.197 -3.181 539 HZ1 LYS 70 3HZ LYS 70 -4.560 -5.880 -2.499 540 HZ2 LYS 70 1HZ LYS 70 -5.678 -4.856 -1.809 541 HZ3 LYS 70 2HZ LYS 70 -4.312 -5.337 -0.989 542 H VAL 71 H VAL 71 -8.478 -0.497 -1.647 543 HA VAL 71 HA VAL 71 -8.493 -2.642 -3.724 544 HB VAL 71 HB VAL 71 -10.879 -2.242 -1.878 545 HG11 VAL 71 1HG1 VAL 71 -11.644 -2.708 -4.159 546 HG12 VAL 71 2HG1 VAL 71 -10.487 -4.050 -4.302 547 HG13 VAL 71 3HG1 VAL 71 -11.854 -4.149 -3.174 548 HG21 VAL 71 3HG2 VAL 71 -9.244 -3.648 -0.745 549 HG22 VAL 71 1HG2 VAL 71 -10.572 -4.648 -1.316 550 HG23 VAL 71 2HG2 VAL 71 -9.038 -4.640 -2.210 551 H ALA 72 H ALA 72 -10.788 -0.227 -2.515 552 HA ALA 72 HA ALA 72 -10.709 1.754 -4.456 553 HB1 ALA 72 3HB ALA 72 -12.821 1.161 -5.787 554 HB2 ALA 72 1HB ALA 72 -11.360 0.285 -6.232 555 HB3 ALA 72 2HB ALA 72 -12.597 -0.513 -5.235 556 H SER 73 H SER 73 -13.286 -0.243 -2.991 557 HA SER 73 HA SER 73 -14.305 2.124 -1.444 558 HB2 SER 73 1HB SER 73 -15.673 -0.069 -2.985 559 HB3 SER 73 2HB SER 73 -16.502 0.620 -1.582 560 HG SER 73 HG SER 73 -16.365 2.660 -2.503 561 H ALA 74 H ALA 74 -12.611 -0.622 -0.843 562 HA ALA 74 HA ALA 74 -14.005 -1.726 1.431 563 HB1 ALA 74 3HB ALA 74 -11.127 -2.001 0.511 564 HB2 ALA 74 1HB ALA 74 -11.961 -3.014 1.720 565 HB3 ALA 74 2HB ALA 74 -12.497 -3.028 0.037 566 H GLU 75 H GLU 75 -11.172 0.343 1.202 567 HA GLU 75 HA GLU 75 -9.913 1.552 2.493 568 HB2 GLU 75 1HB GLU 75 -10.831 3.455 3.543 569 HB3 GLU 75 2HB GLU 75 -11.697 3.116 2.050 570 HG2 GLU 75 1HG GLU 75 -13.623 2.281 3.291 571 HG3 GLU 75 2HG GLU 75 -12.757 2.450 4.823 Start of MODEL 19 1 H1 ALA 1 1H ALA 1 -9.352 15.949 -9.282 2 H2 ALA 1 2H ALA 1 -9.709 16.513 -10.781 3 H3 ALA 1 3H ALA 1 -10.250 17.311 -9.457 4 HA ALA 1 HA ALA 1 -12.114 16.195 -10.233 5 HB1 ALA 1 3HB ALA 1 -12.118 13.853 -10.878 6 HB2 ALA 1 1HB ALA 1 -10.859 14.695 -11.795 7 HB3 ALA 1 2HB ALA 1 -10.412 13.666 -10.415 8 H GLY 2 H GLY 2 -13.566 15.766 -8.625 9 HA2 GLY 2 1HA GLY 2 -12.607 14.929 -5.953 10 HA3 GLY 2 2HA GLY 2 -14.180 15.591 -6.364 11 H HIS 3 H HIS 3 -13.446 13.086 -8.509 12 HA HIS 3 HA HIS 3 -15.541 11.364 -7.621 13 HB2 HIS 3 1HB HIS 3 -13.202 10.783 -9.491 14 HB3 HIS 3 2HB HIS 3 -14.645 9.787 -9.328 15 HD1 HIS 3 HD1 HIS 3 -13.589 11.587 -11.975 16 HD2 HIS 3 HD2 HIS 3 -16.884 12.137 -9.378 17 HE1 HIS 3 HE1 HIS 3 -15.319 12.994 -13.268 18 HE2 HIS 3 HE2 HIS 3 -17.319 13.322 -11.681 19 H MET 4 H MET 4 -15.656 9.814 -6.191 20 HA MET 4 HA MET 4 -13.476 9.065 -4.464 21 HB2 MET 4 1HB MET 4 -16.362 8.241 -4.824 22 HB3 MET 4 2HB MET 4 -15.312 7.138 -3.952 23 HG2 MET 4 1HG MET 4 -14.555 9.065 -2.511 24 HG3 MET 4 2HG MET 4 -15.810 10.052 -3.267 25 HE1 MET 4 3HE MET 4 -16.641 10.603 -0.752 26 HE2 MET 4 1HE MET 4 -16.993 9.339 0.447 27 HE3 MET 4 2HE MET 4 -15.334 9.557 -0.151 28 HA PRO 5 HA PRO 5 -11.671 5.601 -6.547 29 HB2 PRO 5 1HB PRO 5 -11.025 3.880 -4.504 30 HB3 PRO 5 2HB PRO 5 -10.192 5.435 -4.754 31 HG2 PRO 5 1HG PRO 5 -12.427 4.824 -2.810 32 HG3 PRO 5 2HG PRO 5 -10.949 5.791 -2.545 33 HD2 PRO 5 1HD PRO 5 -13.358 6.890 -3.063 34 HD3 PRO 5 2HD PRO 5 -11.835 7.659 -3.559 35 H GLU 6 H GLU 6 -12.506 3.937 -7.691 36 HA GLU 6 HA GLU 6 -14.225 1.909 -6.614 37 HB2 GLU 6 1HB GLU 6 -15.585 4.249 -7.569 38 HB3 GLU 6 2HB GLU 6 -15.797 3.018 -8.808 39 HG2 GLU 6 1HG GLU 6 -16.488 1.403 -6.969 40 HG3 GLU 6 2HG GLU 6 -16.455 2.757 -5.840 41 H GLY 7 H GLY 7 -15.124 0.531 -8.564 42 HA2 GLY 7 1HA GLY 7 -14.872 -0.339 -10.753 43 HA3 GLY 7 2HA GLY 7 -13.369 0.548 -10.958 44 H SER 8 H SER 8 -14.754 -2.092 -8.972 45 HA SER 8 HA SER 8 -12.150 -3.571 -9.118 46 HB2 SER 8 1HB SER 8 -13.214 -2.790 -6.823 47 HB3 SER 8 2HB SER 8 -14.238 -4.222 -7.058 48 HG SER 8 HG SER 8 -12.211 -4.585 -5.910 49 H ALA 9 H ALA 9 -12.342 -5.909 -9.093 50 HA ALA 9 HA ALA 9 -14.758 -7.291 -9.851 51 HB1 ALA 9 3HB ALA 9 -14.728 -6.838 -12.063 52 HB2 ALA 9 1HB ALA 9 -13.057 -6.245 -12.051 53 HB3 ALA 9 2HB ALA 9 -13.387 -7.986 -12.160 54 H SER 10 H SER 10 -11.254 -7.660 -10.527 55 HA SER 10 HA SER 10 -11.146 -10.455 -9.783 56 HB2 SER 10 1HB SER 10 -8.979 -8.346 -10.153 57 HB3 SER 10 2HB SER 10 -8.640 -10.039 -9.761 58 HG SER 10 HG SER 10 -9.865 -8.991 -12.105 59 H LEU 11 H LEU 11 -10.033 -11.420 -8.042 60 HA LEU 11 HA LEU 11 -10.457 -10.125 -5.431 61 HB2 LEU 11 1HB LEU 11 -9.657 -12.988 -6.118 62 HB3 LEU 11 2HB LEU 11 -10.021 -12.357 -4.519 63 HG LEU 11 HG LEU 11 -12.289 -11.565 -5.776 64 HD11 LEU 11 1HD1 LEU 11 -11.310 -13.031 -7.841 65 HD12 LEU 11 2HD1 LEU 11 -13.035 -12.919 -7.462 66 HD13 LEU 11 3HD1 LEU 11 -12.092 -14.328 -6.932 67 HD21 LEU 11 3HD2 LEU 11 -12.202 -12.801 -3.682 68 HD22 LEU 11 1HD2 LEU 11 -11.780 -14.297 -4.543 69 HD23 LEU 11 2HD2 LEU 11 -13.377 -13.544 -4.780 70 H GLN 12 H GLN 12 -8.165 -9.267 -7.192 71 HA GLN 12 HA GLN 12 -6.136 -9.196 -5.084 72 HB2 GLN 12 1HB GLN 12 -5.820 -11.191 -6.964 73 HB3 GLN 12 2HB GLN 12 -5.000 -9.858 -7.776 74 HG2 GLN 12 1HG GLN 12 -3.664 -9.524 -5.611 75 HG3 GLN 12 2HG GLN 12 -4.407 -11.013 -5.016 76 HE21 GLN 12 2HE2 GLN 12 -4.019 -13.054 -6.411 77 HE22 GLN 12 1HE2 GLN 12 -2.485 -13.102 -7.275 78 H LEU 13 H LEU 13 -4.823 -7.376 -5.207 79 HA LEU 13 HA LEU 13 -5.678 -5.230 -7.030 80 HB2 LEU 13 1HB LEU 13 -5.052 -5.198 -4.408 81 HB3 LEU 13 2HB LEU 13 -3.432 -4.945 -5.028 82 HG LEU 13 HG LEU 13 -4.544 -2.856 -4.434 83 HD11 LEU 13 1HD1 LEU 13 -4.390 -2.902 -7.446 84 HD12 LEU 13 2HD1 LEU 13 -2.969 -2.880 -6.385 85 HD13 LEU 13 3HD1 LEU 13 -4.157 -1.543 -6.354 86 HD21 LEU 13 3HD2 LEU 13 -6.528 -2.039 -5.364 87 HD22 LEU 13 1HD2 LEU 13 -6.879 -3.740 -4.977 88 HD23 LEU 13 2HD2 LEU 13 -6.572 -3.252 -6.649 89 H ALA 14 H ALA 14 -4.561 -4.537 -8.776 90 HA ALA 14 HA ALA 14 -1.813 -5.578 -9.316 91 HB1 ALA 14 3HB ALA 14 -2.456 -5.747 -11.685 92 HB2 ALA 14 1HB ALA 14 -3.509 -6.754 -10.675 93 HB3 ALA 14 2HB ALA 14 -4.099 -5.195 -11.295 94 H VAL 15 H VAL 15 -0.600 -4.262 -10.879 95 HA VAL 15 HA VAL 15 -0.397 -1.526 -10.058 96 HB VAL 15 HB VAL 15 0.785 -2.941 -12.471 97 HG11 VAL 15 1HG1 VAL 15 2.464 -1.068 -12.443 98 HG12 VAL 15 2HG1 VAL 15 0.849 -0.535 -12.912 99 HG13 VAL 15 3HG1 VAL 15 1.445 -0.210 -11.268 100 HG21 VAL 15 3HG2 VAL 15 2.747 -3.245 -11.181 101 HG22 VAL 15 1HG2 VAL 15 2.219 -2.113 -9.916 102 HG23 VAL 15 2HG2 VAL 15 1.452 -3.703 -10.071 103 H GLY 16 H GLY 16 -1.314 0.281 -10.741 104 HA2 GLY 16 1HA GLY 16 -2.330 1.775 -12.272 105 HA3 GLY 16 2HA GLY 16 -2.823 0.434 -13.297 106 H ASP 17 H ASP 17 -3.788 -0.758 -10.393 107 HA ASP 17 HA ASP 17 -6.541 0.192 -10.736 108 HB2 ASP 17 1HB ASP 17 -5.512 -2.167 -9.835 109 HB3 ASP 17 2HB ASP 17 -5.799 -1.347 -8.299 110 H ARG 18 H ARG 18 -7.720 0.807 -8.652 111 HA ARG 18 HA ARG 18 -6.402 3.227 -7.496 112 HB2 ARG 18 1HB ARG 18 -9.101 2.613 -8.267 113 HB3 ARG 18 2HB ARG 18 -9.128 2.580 -6.519 114 HG2 ARG 18 1HG ARG 18 -9.645 4.779 -7.108 115 HG3 ARG 18 2HG ARG 18 -7.984 4.880 -6.541 116 HD2 ARG 18 1HD ARG 18 -7.155 5.390 -8.637 117 HD3 ARG 18 2HD ARG 18 -8.312 4.373 -9.485 118 HE ARG 18 HE ARG 18 -8.588 7.195 -8.922 119 HH11 ARG 18 1HH1 ARG 18 -10.522 4.321 -9.492 120 HH12 ARG 18 2HH1 ARG 18 -11.937 5.247 -9.887 121 HH21 ARG 18 1HH2 ARG 18 -10.440 8.305 -9.423 122 HH22 ARG 18 2HH2 ARG 18 -11.901 7.435 -9.790 123 H VAL 19 H VAL 19 -6.654 3.660 -5.223 124 HA VAL 19 HA VAL 19 -7.070 1.436 -3.355 125 HB VAL 19 HB VAL 19 -4.930 1.897 -2.150 126 HG11 VAL 19 1HG1 VAL 19 -3.551 0.448 -3.473 127 HG12 VAL 19 2HG1 VAL 19 -5.228 -0.077 -3.710 128 HG13 VAL 19 3HG1 VAL 19 -4.400 0.865 -4.961 129 HG21 VAL 19 3HG2 VAL 19 -4.045 3.224 -4.747 130 HG22 VAL 19 1HG2 VAL 19 -4.419 4.085 -3.235 131 HG23 VAL 19 2HG2 VAL 19 -3.059 2.957 -3.305 132 H VAL 20 H VAL 20 -7.469 2.115 -1.273 133 HA VAL 20 HA VAL 20 -7.705 5.004 -0.678 134 HB VAL 20 HB VAL 20 -9.809 4.334 -1.587 135 HG11 VAL 20 1HG1 VAL 20 -9.956 1.997 -1.377 136 HG12 VAL 20 2HG1 VAL 20 -9.839 2.061 0.389 137 HG13 VAL 20 3HG1 VAL 20 -11.294 2.659 -0.437 138 HG21 VAL 20 3HG2 VAL 20 -9.839 5.927 0.311 139 HG22 VAL 20 1HG2 VAL 20 -11.332 4.985 0.175 140 HG23 VAL 20 2HG2 VAL 20 -10.146 4.564 1.416 141 H TYR 21 H TYR 21 -7.884 5.447 1.579 142 HA TYR 21 HA TYR 21 -6.830 3.332 3.400 143 HB2 TYR 21 1HB TYR 21 -5.749 6.058 2.706 144 HB3 TYR 21 2HB TYR 21 -5.634 5.529 4.361 145 HD1 TYR 21 HD1 TYR 21 -4.775 4.388 0.875 146 HD2 TYR 21 HD2 TYR 21 -3.821 4.264 5.085 147 HE1 TYR 21 HE1 TYR 21 -2.658 3.178 0.371 148 HE2 TYR 21 HE2 TYR 21 -1.771 3.016 4.593 149 HH TYR 21 HH TYR 21 -0.760 2.292 1.192 150 HA PRO 22 HA PRO 22 -9.933 4.615 6.215 151 HB2 PRO 22 1HB PRO 22 -8.793 4.216 8.678 152 HB3 PRO 22 2HB PRO 22 -9.248 2.895 7.562 153 HG2 PRO 22 1HG PRO 22 -6.509 4.121 7.973 154 HG3 PRO 22 2HG PRO 22 -6.953 2.389 7.871 155 HD2 PRO 22 1HD PRO 22 -5.971 3.770 5.714 156 HD3 PRO 22 2HD PRO 22 -7.201 2.495 5.531 157 H ASN 23 H ASN 23 -6.785 6.112 6.913 158 HA ASN 23 HA ASN 23 -7.999 8.795 7.154 159 HB2 ASN 23 1HB ASN 23 -6.547 7.359 9.421 160 HB3 ASN 23 2HB ASN 23 -6.681 9.113 9.362 161 HD21 ASN 23 2HD2 ASN 23 -9.025 9.985 9.019 162 HD22 ASN 23 1HD2 ASN 23 -10.225 9.137 9.983 163 H GLN 24 H GLN 24 -6.513 7.896 5.061 164 HA GLN 24 HA GLN 24 -4.043 9.573 5.289 165 HB2 GLN 24 1HB GLN 24 -3.930 6.806 5.024 166 HB3 GLN 24 2HB GLN 24 -3.733 7.358 3.363 167 HG2 GLN 24 1HG GLN 24 -2.050 8.038 5.800 168 HG3 GLN 24 2HG GLN 24 -1.589 7.032 4.432 169 HE21 GLN 24 2HE2 GLN 24 -1.121 10.072 5.738 170 HE22 GLN 24 1HE2 GLN 24 -0.680 10.902 4.256 171 H GLY 25 H GLY 25 -6.204 8.011 2.884 172 HA2 GLY 25 1HA GLY 25 -7.541 9.706 1.512 173 HA3 GLY 25 2HA GLY 25 -5.963 10.373 1.073 174 H VAL 26 H VAL 26 -7.198 9.782 -1.071 175 HA VAL 26 HA VAL 26 -6.869 6.975 -1.930 176 HB VAL 26 HB VAL 26 -7.451 7.780 -4.179 177 HG11 VAL 26 1HG1 VAL 26 -9.701 7.852 -3.798 178 HG12 VAL 26 2HG1 VAL 26 -9.108 7.092 -2.307 179 HG13 VAL 26 3HG1 VAL 26 -9.575 8.808 -2.301 180 HG21 VAL 26 3HG2 VAL 26 -7.939 10.506 -2.896 181 HG22 VAL 26 1HG2 VAL 26 -6.707 10.135 -4.120 182 HG23 VAL 26 2HG2 VAL 26 -8.422 10.010 -4.528 183 H CYS 27 H CYS 27 -5.387 6.172 -3.308 184 HA CYS 27 HA CYS 27 -3.133 7.855 -4.254 185 HB2 CYS 27 1HB CYS 27 -2.724 5.281 -2.649 186 HB3 CYS 27 2HB CYS 27 -1.460 6.201 -3.467 187 HG CYS 27 HG CYS 27 -0.903 7.211 -1.390 188 H ARG 28 H ARG 28 -1.606 6.198 -5.585 189 HA ARG 28 HA ARG 28 -3.273 4.428 -7.308 190 HB2 ARG 28 1HB ARG 28 -3.050 6.917 -8.053 191 HB3 ARG 28 2HB ARG 28 -1.402 6.514 -8.500 192 HG2 ARG 28 1HG ARG 28 -2.069 5.268 -10.331 193 HG3 ARG 28 2HG ARG 28 -3.540 4.659 -9.538 194 HD2 ARG 28 1HD ARG 28 -4.661 6.788 -9.783 195 HD3 ARG 28 2HD ARG 28 -3.180 7.550 -10.396 196 HE ARG 28 HE ARG 28 -4.027 5.318 -12.056 197 HH11 ARG 28 1HH1 ARG 28 -4.713 8.689 -11.441 198 HH12 ARG 28 2HH1 ARG 28 -5.261 8.985 -13.067 199 HH21 ARG 28 1HH2 ARG 28 -4.727 5.753 -14.135 200 HH22 ARG 28 2HH2 ARG 28 -5.269 7.354 -14.544 201 H VAL 29 H VAL 29 -2.309 2.569 -7.679 202 HA VAL 29 HA VAL 29 0.208 1.905 -6.493 203 HB VAL 29 HB VAL 29 -1.293 0.295 -8.587 204 HG11 VAL 29 1HG1 VAL 29 -0.130 -1.636 -7.574 205 HG12 VAL 29 2HG1 VAL 29 1.038 -0.511 -8.262 206 HG13 VAL 29 3HG1 VAL 29 0.780 -0.550 -6.502 207 HG21 VAL 29 3HG2 VAL 29 -1.960 -0.918 -6.370 208 HG22 VAL 29 1HG2 VAL 29 -1.572 0.606 -5.582 209 HG23 VAL 29 2HG2 VAL 29 -2.831 0.544 -6.847 210 H SER 30 H SER 30 2.223 2.278 -7.084 211 HA SER 30 HA SER 30 2.796 2.971 -9.921 212 HB2 SER 30 1HB SER 30 4.373 4.422 -9.230 213 HB3 SER 30 2HB SER 30 3.280 4.503 -7.845 214 HG SER 30 HG SER 30 5.182 4.150 -6.856 215 H ALA 31 H ALA 31 4.104 1.023 -7.227 216 HA ALA 31 HA ALA 31 4.909 -1.122 -9.064 217 HB1 ALA 31 3HB ALA 31 7.233 -1.103 -8.452 218 HB2 ALA 31 1HB ALA 31 6.855 0.575 -8.881 219 HB3 ALA 31 2HB ALA 31 6.966 0.103 -7.173 220 H ILE 32 H ILE 32 5.872 -2.988 -7.687 221 HA ILE 32 HA ILE 32 5.063 -3.056 -4.858 222 HB ILE 32 HB ILE 32 3.982 -5.113 -6.845 223 HG12 ILE 32 1HG1 ILE 32 2.397 -3.157 -5.119 224 HG13 ILE 32 2HG1 ILE 32 2.648 -2.980 -6.853 225 HG21 ILE 32 1HG2 ILE 32 3.951 -4.895 -3.801 226 HG22 ILE 32 2HG2 ILE 32 2.857 -5.971 -4.677 227 HG23 ILE 32 3HG2 ILE 32 4.592 -6.211 -4.807 228 HD11 ILE 32 3HD1 ILE 32 0.529 -4.321 -5.631 229 HD12 ILE 32 1HD1 ILE 32 0.931 -4.254 -7.356 230 HD13 ILE 32 2HD1 ILE 32 1.515 -5.599 -6.375 231 H ASP 33 H ASP 33 6.480 -4.322 -3.670 232 HA ASP 33 HA ASP 33 8.176 -6.302 -5.051 233 HB2 ASP 33 1HB ASP 33 9.199 -3.766 -4.739 234 HB3 ASP 33 2HB ASP 33 9.649 -4.469 -3.195 235 H VAL 34 H VAL 34 9.546 -7.564 -3.370 236 HA VAL 34 HA VAL 34 8.043 -7.816 -0.790 237 HB VAL 34 HB VAL 34 8.449 -10.133 -0.697 238 HG11 VAL 34 1HG1 VAL 34 6.666 -10.693 -1.934 239 HG12 VAL 34 2HG1 VAL 34 6.646 -9.016 -2.491 240 HG13 VAL 34 3HG1 VAL 34 7.434 -10.242 -3.467 241 HG21 VAL 34 3HG2 VAL 34 10.594 -10.399 -1.824 242 HG22 VAL 34 1HG2 VAL 34 9.388 -11.466 -2.551 243 HG23 VAL 34 2HG2 VAL 34 9.856 -9.970 -3.385 244 H LYS 35 H LYS 35 9.199 -8.137 1.107 245 HA LYS 35 HA LYS 35 12.082 -8.430 1.065 246 HB2 LYS 35 1HB LYS 35 12.637 -6.390 2.303 247 HB3 LYS 35 2HB LYS 35 11.992 -5.994 0.721 248 HG2 LYS 35 1HG LYS 35 9.957 -5.213 1.578 249 HG3 LYS 35 2HG LYS 35 10.152 -6.010 3.139 250 HD2 LYS 35 1HD LYS 35 11.989 -3.748 2.256 251 HD3 LYS 35 2HD LYS 35 10.431 -3.481 3.024 252 HE2 LYS 35 1HE LYS 35 11.484 -3.521 4.956 253 HE3 LYS 35 2HE LYS 35 11.439 -5.274 4.803 254 HZ1 LYS 35 3HZ LYS 35 13.671 -4.079 5.292 255 HZ2 LYS 35 1HZ LYS 35 13.728 -3.754 3.699 256 HZ3 LYS 35 2HZ LYS 35 13.698 -5.310 4.239 257 H GLU 36 H GLU 36 12.952 -8.244 3.364 258 HA GLU 36 HA GLU 36 11.084 -9.517 5.313 259 HB2 GLU 36 1HB GLU 36 13.772 -10.237 4.451 260 HB3 GLU 36 2HB GLU 36 13.807 -9.741 6.138 261 HG2 GLU 36 1HG GLU 36 11.615 -11.349 6.209 262 HG3 GLU 36 2HG GLU 36 12.465 -12.078 4.847 263 H VAL 37 H VAL 37 10.421 -8.253 6.883 264 HA VAL 37 HA VAL 37 12.261 -6.163 8.005 265 HB VAL 37 HB VAL 37 10.454 -5.104 6.710 266 HG11 VAL 37 1HG1 VAL 37 8.669 -6.826 7.126 267 HG12 VAL 37 2HG1 VAL 37 8.489 -6.182 8.767 268 HG13 VAL 37 3HG1 VAL 37 8.156 -5.141 7.374 269 HG21 VAL 37 3HG2 VAL 37 11.466 -3.980 8.677 270 HG22 VAL 37 1HG2 VAL 37 9.782 -3.501 8.401 271 HG23 VAL 37 2HG2 VAL 37 10.172 -4.638 9.704 272 H ALA 38 H ALA 38 12.645 -6.353 10.133 273 HA ALA 38 HA ALA 38 12.796 -7.380 12.165 274 HB1 ALA 38 3HB ALA 38 10.949 -5.753 12.413 275 HB2 ALA 38 1HB ALA 38 9.776 -7.040 12.057 276 HB3 ALA 38 2HB ALA 38 10.784 -7.130 13.517 277 H GLY 39 H GLY 39 12.680 -9.333 9.991 278 HA2 GLY 39 1HA GLY 39 12.884 -11.671 9.958 279 HA3 GLY 39 2HA GLY 39 12.102 -11.780 11.526 280 H GLN 40 H GLN 40 10.426 -9.966 9.000 281 HA GLN 40 HA GLN 40 8.534 -12.223 8.534 282 HB2 GLN 40 1HB GLN 40 8.108 -9.751 9.939 283 HB3 GLN 40 2HB GLN 40 7.312 -9.570 8.389 284 HG2 GLN 40 1HG GLN 40 5.766 -10.472 9.993 285 HG3 GLN 40 2HG GLN 40 6.089 -11.684 8.745 286 HE21 GLN 40 2HE2 GLN 40 7.687 -10.727 11.915 287 HE22 GLN 40 1HE2 GLN 40 7.749 -12.393 12.475 288 H LYS 41 H LYS 41 8.631 -12.819 6.497 289 HA LYS 41 HA LYS 41 9.408 -10.905 4.367 290 HB2 LYS 41 1HB LYS 41 10.540 -13.197 4.646 291 HB3 LYS 41 2HB LYS 41 9.034 -13.899 4.056 292 HG2 LYS 41 1HG LYS 41 9.211 -12.378 2.019 293 HG3 LYS 41 2HG LYS 41 10.771 -11.828 2.616 294 HD2 LYS 41 1HD LYS 41 11.808 -13.561 1.652 295 HD3 LYS 41 2HD LYS 41 10.820 -14.722 2.552 296 HE2 LYS 41 1HE LYS 41 9.031 -14.559 0.863 297 HE3 LYS 41 2HE LYS 41 9.946 -13.333 -0.024 298 HZ1 LYS 41 3HZ LYS 41 10.223 -15.570 -0.972 299 HZ2 LYS 41 1HZ LYS 41 10.879 -16.121 0.416 300 HZ3 LYS 41 2HZ LYS 41 11.658 -14.984 -0.464 301 H LEU 42 H LEU 42 7.881 -9.930 3.184 302 HA LEU 42 HA LEU 42 5.599 -11.400 2.164 303 HB2 LEU 42 1HB LEU 42 3.825 -10.441 3.355 304 HB3 LEU 42 2HB LEU 42 4.985 -10.832 4.587 305 HG LEU 42 HG LEU 42 5.726 -8.251 3.925 306 HD11 LEU 42 1HD1 LEU 42 3.406 -8.372 2.633 307 HD12 LEU 42 2HD1 LEU 42 3.943 -6.954 3.514 308 HD13 LEU 42 3HD1 LEU 42 2.751 -8.093 4.241 309 HD21 LEU 42 3HD2 LEU 42 3.835 -9.154 6.122 310 HD22 LEU 42 1HD2 LEU 42 4.670 -7.585 6.060 311 HD23 LEU 42 2HD2 LEU 42 5.610 -9.076 6.205 312 H THR 43 H THR 43 4.109 -9.899 0.893 313 HA THR 43 HA THR 43 5.681 -8.157 -0.833 314 HB THR 43 HB THR 43 2.683 -8.686 -0.879 315 HG1 THR 43 HG1 THR 43 3.211 -10.304 -2.355 316 HG21 THR 43 3HG2 THR 43 4.704 -7.752 -2.965 317 HG22 THR 43 1HG2 THR 43 3.323 -6.838 -2.311 318 HG23 THR 43 2HG2 THR 43 3.042 -8.249 -3.341 319 H PHE 44 H PHE 44 6.048 -6.056 -0.490 320 HA PHE 44 HA PHE 44 4.087 -4.434 1.086 321 HB2 PHE 44 1HB PHE 44 7.037 -3.939 0.568 322 HB3 PHE 44 2HB PHE 44 5.938 -2.835 1.384 323 HD1 PHE 44 HD1 PHE 44 5.154 -3.267 3.688 324 HD2 PHE 44 HD2 PHE 44 7.749 -6.060 1.657 325 HE1 PHE 44 HE1 PHE 44 5.517 -4.528 5.838 326 HE2 PHE 44 HE2 PHE 44 8.064 -7.295 3.785 327 HZ PHE 44 HZ PHE 44 6.910 -6.556 5.831 328 H VAL 45 H VAL 45 2.748 -3.345 -0.172 329 HA VAL 45 HA VAL 45 3.204 -2.835 -3.010 330 HB VAL 45 HB VAL 45 1.210 -1.365 -2.845 331 HG11 VAL 45 1HG1 VAL 45 1.315 -4.159 -2.780 332 HG12 VAL 45 2HG1 VAL 45 0.123 -3.750 -1.539 333 HG13 VAL 45 3HG1 VAL 45 -0.087 -3.154 -3.191 334 HG21 VAL 45 3HG2 VAL 45 -0.159 -1.337 -0.827 335 HG22 VAL 45 1HG2 VAL 45 0.999 -2.315 0.043 336 HG23 VAL 45 2HG2 VAL 45 1.432 -0.662 -0.441 337 H THR 46 H THR 46 3.668 -0.870 -4.084 338 HA THR 46 HA THR 46 4.718 1.335 -2.385 339 HB THR 46 HB THR 46 5.966 0.397 -4.987 340 HG1 THR 46 HG1 THR 46 6.702 -0.015 -2.283 341 HG21 THR 46 3HG2 THR 46 6.522 2.665 -4.752 342 HG22 THR 46 1HG2 THR 46 7.882 1.837 -3.975 343 HG23 THR 46 2HG2 THR 46 6.612 2.576 -2.979 344 H MET 47 H MET 47 3.366 2.987 -2.547 345 HA MET 47 HA MET 47 2.444 3.785 -5.278 346 HB2 MET 47 1HB MET 47 0.739 4.158 -2.814 347 HB3 MET 47 2HB MET 47 0.289 4.310 -4.493 348 HG2 MET 47 1HG MET 47 -0.675 2.313 -4.079 349 HG3 MET 47 2HG MET 47 0.917 1.690 -4.511 350 HE1 MET 47 3HE MET 47 -1.871 1.826 -1.972 351 HE2 MET 47 1HE MET 47 -1.471 0.266 -2.742 352 HE3 MET 47 2HE MET 47 -1.335 0.475 -0.977 353 H ARG 48 H ARG 48 1.746 6.034 -5.374 354 HA ARG 48 HA ARG 48 2.999 7.856 -3.416 355 HB2 ARG 48 1HB ARG 48 4.152 9.162 -5.148 356 HB3 ARG 48 2HB ARG 48 4.772 7.535 -4.961 357 HG2 ARG 48 1HG ARG 48 2.819 7.323 -7.017 358 HG3 ARG 48 2HG ARG 48 3.654 8.832 -7.348 359 HD2 ARG 48 1HD ARG 48 5.111 6.214 -6.798 360 HD3 ARG 48 2HD ARG 48 4.524 6.664 -8.410 361 HE ARG 48 HE ARG 48 6.118 8.801 -7.394 362 HH11 ARG 48 1HH1 ARG 48 6.591 5.532 -8.585 363 HH12 ARG 48 2HH1 ARG 48 8.111 5.932 -9.329 364 HH21 ARG 48 1HH2 ARG 48 8.079 9.228 -8.358 365 HH22 ARG 48 2HH2 ARG 48 8.932 7.957 -9.181 366 H ARG 49 H ARG 49 1.724 9.362 -2.851 367 HA ARG 49 HA ARG 49 -0.861 9.890 -4.203 368 HB2 ARG 49 1HB ARG 49 -1.321 11.416 -2.331 369 HB3 ARG 49 2HB ARG 49 -0.972 9.764 -1.850 370 HG2 ARG 49 1HG ARG 49 1.292 10.406 -1.142 371 HG3 ARG 49 2HG ARG 49 0.921 12.102 -1.508 372 HD2 ARG 49 1HD ARG 49 -0.730 10.387 0.384 373 HD3 ARG 49 2HD ARG 49 0.658 11.333 0.921 374 HE ARG 49 HE ARG 49 -0.813 13.243 -0.357 375 HH11 ARG 49 1HH1 ARG 49 -1.781 10.923 2.069 376 HH12 ARG 49 2HH1 ARG 49 -3.003 11.962 2.716 377 HH21 ARG 49 1HH2 ARG 49 -2.277 14.621 0.641 378 HH22 ARG 49 2HH2 ARG 49 -3.140 14.057 2.037 379 H GLU 50 H GLU 50 -0.820 11.088 -5.968 380 HA GLU 50 HA GLU 50 1.168 13.069 -6.561 381 HB2 GLU 50 1HB GLU 50 -1.620 12.984 -7.757 382 HB3 GLU 50 2HB GLU 50 -0.144 13.680 -8.440 383 HG2 GLU 50 1HG GLU 50 0.808 11.249 -8.304 384 HG3 GLU 50 2HG GLU 50 -0.878 10.756 -8.126 385 H GLU 51 H GLU 51 -1.619 13.282 -4.543 386 HA GLU 51 HA GLU 51 -2.281 16.027 -4.620 387 HB2 GLU 51 1HB GLU 51 -2.316 14.115 -2.241 388 HB3 GLU 51 2HB GLU 51 -3.095 15.693 -2.305 389 HG2 GLU 51 1HG GLU 51 -4.200 14.622 -4.532 390 HG3 GLU 51 2HG GLU 51 -3.863 13.127 -3.661 391 H ASP 52 H ASP 52 0.331 14.455 -2.827 392 HA ASP 52 HA ASP 52 1.474 17.147 -2.173 393 HB2 ASP 52 1HB ASP 52 0.319 15.662 -0.242 394 HB3 ASP 52 2HB ASP 52 1.907 14.916 -0.217 395 H GLY 53 H GLY 53 1.945 14.420 -3.931 396 HA2 GLY 53 1HA GLY 53 3.718 13.426 -4.979 397 HA3 GLY 53 2HA GLY 53 4.768 14.728 -4.414 398 H ALA 54 H ALA 54 2.923 12.734 -2.126 399 HA ALA 54 HA ALA 54 5.506 11.932 -0.864 400 HB1 ALA 54 3HB ALA 54 3.888 11.278 1.042 401 HB2 ALA 54 1HB ALA 54 4.094 13.005 0.688 402 HB3 ALA 54 2HB ALA 54 2.650 12.157 0.130 403 H VAL 55 H VAL 55 5.613 9.744 0.082 404 HA VAL 55 HA VAL 55 4.553 7.672 -1.804 405 HB VAL 55 HB VAL 55 6.487 6.304 -1.197 406 HG11 VAL 55 1HG1 VAL 55 7.191 9.058 -2.298 407 HG12 VAL 55 2HG1 VAL 55 8.165 7.587 -2.481 408 HG13 VAL 55 3HG1 VAL 55 6.556 7.675 -3.216 409 HG21 VAL 55 3HG2 VAL 55 8.458 7.292 -0.101 410 HG22 VAL 55 1HG2 VAL 55 7.547 8.767 0.266 411 HG23 VAL 55 2HG2 VAL 55 7.091 7.218 1.011 412 H VAL 56 H VAL 56 3.680 5.794 -1.048 413 HA VAL 56 HA VAL 56 3.366 5.422 1.882 414 HB VAL 56 HB VAL 56 1.025 4.939 1.755 415 HG11 VAL 56 1HG1 VAL 56 0.117 7.165 1.466 416 HG12 VAL 56 2HG1 VAL 56 1.729 7.293 2.191 417 HG13 VAL 56 3HG1 VAL 56 1.496 7.658 0.467 418 HG21 VAL 56 3HG2 VAL 56 -0.367 5.493 -0.207 419 HG22 VAL 56 1HG2 VAL 56 1.108 5.766 -1.170 420 HG23 VAL 56 2HG2 VAL 56 0.720 4.149 -0.519 421 H MET 57 H MET 57 3.675 3.407 2.505 422 HA MET 57 HA MET 57 3.475 1.175 0.580 423 HB2 MET 57 1HB MET 57 5.986 1.618 2.257 424 HB3 MET 57 2HB MET 57 5.674 0.316 1.105 425 HG2 MET 57 1HG MET 57 5.456 2.185 -0.661 426 HG3 MET 57 2HG MET 57 6.179 3.248 0.535 427 HE1 MET 57 3HE MET 57 9.778 1.729 0.943 428 HE2 MET 57 1HE MET 57 8.517 2.759 1.660 429 HE3 MET 57 2HE MET 57 8.434 0.988 1.837 430 H VAL 58 H VAL 58 2.447 -0.482 1.485 431 HA VAL 58 HA VAL 58 2.680 -0.938 4.400 432 HB VAL 58 HB VAL 58 0.258 -1.393 4.627 433 HG11 VAL 58 1HG1 VAL 58 0.945 1.433 3.777 434 HG12 VAL 58 2HG1 VAL 58 -0.451 0.949 4.737 435 HG13 VAL 58 3HG1 VAL 58 1.179 0.717 5.385 436 HG21 VAL 58 3HG2 VAL 58 -0.391 -1.878 2.365 437 HG22 VAL 58 1HG2 VAL 58 -1.339 -0.518 2.996 438 HG23 VAL 58 2HG2 VAL 58 -0.020 -0.207 1.856 439 HA PRO 59 HA PRO 59 3.029 -5.128 3.260 440 HB2 PRO 59 1HB PRO 59 2.075 -6.408 5.507 441 HB3 PRO 59 2HB PRO 59 3.641 -5.588 5.455 442 HG2 PRO 59 1HG PRO 59 1.001 -4.531 6.482 443 HG3 PRO 59 2HG PRO 59 2.619 -4.438 7.272 444 HD2 PRO 59 1HD PRO 59 1.637 -2.361 5.913 445 HD3 PRO 59 2HD PRO 59 3.356 -2.804 5.739 446 H GLU 60 H GLU 60 1.773 -6.201 1.740 447 HA GLU 60 HA GLU 60 -1.084 -6.096 1.677 448 HB2 GLU 60 1HB GLU 60 0.823 -8.043 0.320 449 HB3 GLU 60 2HB GLU 60 -0.924 -8.004 0.063 450 HG2 GLU 60 1HG GLU 60 -0.576 -5.471 -0.419 451 HG3 GLU 60 2HG GLU 60 1.108 -5.918 -0.723 452 H GLY 61 H GLY 61 1.040 -8.626 3.001 453 HA2 GLY 61 1HA GLY 61 -1.269 -10.326 3.815 454 HA3 GLY 61 2HA GLY 61 0.445 -10.742 3.941 455 H LYS 62 H LYS 62 -0.046 -7.675 5.159 456 HA LYS 62 HA LYS 62 -0.625 -8.559 7.966 457 HB2 LYS 62 1HB LYS 62 1.924 -8.116 7.065 458 HB3 LYS 62 2HB LYS 62 1.464 -6.508 7.629 459 HG2 LYS 62 1HG LYS 62 1.076 -7.313 9.855 460 HG3 LYS 62 2HG LYS 62 1.433 -8.979 9.355 461 HD2 LYS 62 1HD LYS 62 3.693 -8.606 9.096 462 HD3 LYS 62 2HD LYS 62 3.532 -6.931 8.592 463 HE2 LYS 62 1HE LYS 62 3.142 -7.898 11.467 464 HE3 LYS 62 2HE LYS 62 4.657 -7.272 10.809 465 HZ1 LYS 62 3HZ LYS 62 3.454 -5.183 10.278 466 HZ2 LYS 62 1HZ LYS 62 3.502 -5.483 11.879 467 HZ3 LYS 62 2HZ LYS 62 2.122 -5.747 11.049 468 H VAL 63 H VAL 63 -1.590 -6.507 5.504 469 HA VAL 63 HA VAL 63 -2.202 -4.056 6.591 470 HB VAL 63 HB VAL 63 -4.397 -4.217 5.405 471 HG11 VAL 63 1HG1 VAL 63 -2.187 -4.835 3.473 472 HG12 VAL 63 2HG1 VAL 63 -3.578 -3.773 3.282 473 HG13 VAL 63 3HG1 VAL 63 -2.262 -3.307 4.377 474 HG21 VAL 63 3HG2 VAL 63 -4.221 -6.919 5.416 475 HG22 VAL 63 1HG2 VAL 63 -5.226 -5.956 4.327 476 HG23 VAL 63 2HG2 VAL 63 -3.652 -6.548 3.787 477 H LEU 64 H LEU 64 -3.676 -7.082 7.502 478 HA LEU 64 HA LEU 64 -5.975 -6.225 8.887 479 HB2 LEU 64 1HB LEU 64 -4.190 -8.537 9.720 480 HB3 LEU 64 2HB LEU 64 -5.924 -8.364 9.953 481 HG LEU 64 HG LEU 64 -4.448 -8.972 7.340 482 HD11 LEU 64 1HD1 LEU 64 -4.828 -10.824 8.967 483 HD12 LEU 64 2HD1 LEU 64 -5.720 -11.045 7.454 484 HD13 LEU 64 3HD1 LEU 64 -6.573 -10.494 8.913 485 HD21 LEU 64 3HD2 LEU 64 -6.272 -7.509 6.684 486 HD22 LEU 64 1HD2 LEU 64 -7.400 -8.324 7.793 487 HD23 LEU 64 2HD2 LEU 64 -6.775 -9.173 6.358 488 H ALA 65 H ALA 65 -2.602 -6.068 9.873 489 HA ALA 65 HA ALA 65 -3.076 -5.493 12.690 490 HB1 ALA 65 3HB ALA 65 -1.013 -6.588 11.836 491 HB2 ALA 65 1HB ALA 65 -0.596 -5.104 10.950 492 HB3 ALA 65 2HB ALA 65 -0.663 -5.090 12.723 493 H ILE 66 H ILE 66 -2.093 -3.510 9.857 494 HA ILE 66 HA ILE 66 -2.138 -0.989 11.299 495 HB ILE 66 HB ILE 66 -2.269 -1.430 8.288 496 HG12 ILE 66 1HG1 ILE 66 0.330 -0.641 8.797 497 HG13 ILE 66 2HG1 ILE 66 0.023 -1.610 10.230 498 HG21 ILE 66 1HG2 ILE 66 -1.223 0.958 9.900 499 HG22 ILE 66 2HG2 ILE 66 -1.325 0.828 8.131 500 HG23 ILE 66 3HG2 ILE 66 -2.791 0.923 9.105 501 HD11 ILE 66 3HD1 ILE 66 -0.582 -3.529 8.731 502 HD12 ILE 66 1HD1 ILE 66 -0.285 -2.486 7.320 503 HD13 ILE 66 2HD1 ILE 66 1.047 -2.901 8.424 504 H GLY 67 H GLY 67 -4.541 -2.781 9.436 505 HA2 GLY 67 1HA GLY 67 -6.878 -2.626 9.610 506 HA3 GLY 67 2HA GLY 67 -6.749 -1.050 10.386 507 H VAL 68 H VAL 68 -4.789 -1.151 7.647 508 HA VAL 68 HA VAL 68 -6.583 0.617 6.101 509 HB VAL 68 HB VAL 68 -4.638 1.039 4.680 510 HG11 VAL 68 1HG1 VAL 68 -4.311 1.315 7.663 511 HG12 VAL 68 2HG1 VAL 68 -2.966 1.779 6.598 512 HG13 VAL 68 3HG1 VAL 68 -4.526 2.532 6.435 513 HG21 VAL 68 3HG2 VAL 68 -2.379 0.083 5.309 514 HG22 VAL 68 1HG2 VAL 68 -3.233 -1.145 6.258 515 HG23 VAL 68 2HG2 VAL 68 -3.473 -1.022 4.504 516 H ARG 69 H ARG 69 -7.761 -0.049 4.289 517 HA ARG 69 HA ARG 69 -6.924 -2.704 3.079 518 HB2 ARG 69 1HB ARG 69 -9.739 -1.581 3.228 519 HB3 ARG 69 2HB ARG 69 -9.235 -3.126 2.582 520 HG2 ARG 69 1HG ARG 69 -8.288 -3.018 5.317 521 HG3 ARG 69 2HG ARG 69 -9.925 -2.375 5.308 522 HD2 ARG 69 1HD ARG 69 -9.929 -4.774 5.722 523 HD3 ARG 69 2HD ARG 69 -10.723 -4.410 4.177 524 HE ARG 69 HE ARG 69 -7.869 -4.996 3.912 525 HH11 ARG 69 1HH1 ARG 69 -10.936 -6.619 4.182 526 HH12 ARG 69 2HH1 ARG 69 -10.427 -7.974 3.210 527 HH21 ARG 69 1HH2 ARG 69 -7.270 -6.710 2.626 528 HH22 ARG 69 2HH2 ARG 69 -8.383 -8.017 2.370 529 H LYS 70 H LYS 70 -5.841 -2.254 1.367 530 HA LYS 70 HA LYS 70 -6.622 -0.058 -0.491 531 HB2 LYS 70 1HB LYS 70 -4.519 -0.820 -1.683 532 HB3 LYS 70 2HB LYS 70 -4.315 -0.102 -0.101 533 HG2 LYS 70 1HG LYS 70 -3.279 -1.877 0.726 534 HG3 LYS 70 2HG LYS 70 -4.479 -3.018 0.151 535 HD2 LYS 70 1HD LYS 70 -2.486 -1.873 -1.818 536 HD3 LYS 70 2HD LYS 70 -1.960 -3.111 -0.686 537 HE2 LYS 70 1HE LYS 70 -4.380 -3.442 -2.496 538 HE3 LYS 70 2HE LYS 70 -2.751 -3.932 -2.968 539 HZ1 LYS 70 3HZ LYS 70 -2.929 -5.773 -1.804 540 HZ2 LYS 70 1HZ LYS 70 -4.525 -5.461 -1.540 541 HZ3 LYS 70 2HZ LYS 70 -3.408 -5.020 -0.427 542 H VAL 71 H VAL 71 -8.366 -0.618 -1.552 543 HA VAL 71 HA VAL 71 -8.126 -2.790 -3.597 544 HB VAL 71 HB VAL 71 -10.544 -2.595 -1.780 545 HG11 VAL 71 1HG1 VAL 71 -9.986 -4.326 -4.226 546 HG12 VAL 71 2HG1 VAL 71 -11.293 -4.641 -3.064 547 HG13 VAL 71 3HG1 VAL 71 -11.310 -3.159 -4.014 548 HG21 VAL 71 3HG2 VAL 71 -8.759 -3.829 -0.656 549 HG22 VAL 71 1HG2 VAL 71 -9.985 -4.962 -1.206 550 HG23 VAL 71 2HG2 VAL 71 -8.470 -4.800 -2.120 551 H ALA 72 H ALA 72 -10.563 -0.471 -2.512 552 HA ALA 72 HA ALA 72 -10.761 1.355 -4.576 553 HB1 ALA 72 3HB ALA 72 -11.229 -0.272 -6.269 554 HB2 ALA 72 1HB ALA 72 -12.334 -1.181 -5.214 555 HB3 ALA 72 2HB ALA 72 -12.791 0.413 -5.839 556 H SER 73 H SER 73 -13.099 -0.866 -3.029 557 HA SER 73 HA SER 73 -14.397 1.438 -1.605 558 HB2 SER 73 1HB SER 73 -15.468 -0.957 -3.037 559 HB3 SER 73 2HB SER 73 -16.320 -0.457 -1.572 560 HG SER 73 HG SER 73 -17.201 0.684 -3.250 561 H ALA 74 H ALA 74 -12.386 -1.115 -0.865 562 HA ALA 74 HA ALA 74 -13.614 -2.176 1.500 563 HB1 ALA 74 3HB ALA 74 -11.457 -3.179 1.915 564 HB2 ALA 74 1HB ALA 74 -11.883 -3.348 0.208 565 HB3 ALA 74 2HB ALA 74 -10.679 -2.131 0.702 566 H GLU 75 H GLU 75 -10.841 0.040 1.266 567 HA GLU 75 HA GLU 75 -9.958 1.666 2.464 568 HB2 GLU 75 1HB GLU 75 -11.963 2.874 2.026 569 HB3 GLU 75 2HB GLU 75 -12.837 2.100 3.323 570 HG2 GLU 75 1HG GLU 75 -10.491 3.439 4.419 571 HG3 GLU 75 2HG GLU 75 -11.332 4.526 3.346 Start of MODEL 20 1 H1 ALA 1 1H ALA 1 -19.587 15.501 -9.445 2 H2 ALA 1 2H ALA 1 -19.614 15.870 -11.038 3 H3 ALA 1 3H ALA 1 -18.872 14.506 -10.533 4 HA ALA 1 HA ALA 1 -17.195 16.093 -11.058 5 HB1 ALA 1 3HB ALA 1 -17.144 18.297 -9.965 6 HB2 ALA 1 1HB ALA 1 -18.630 18.089 -10.905 7 HB3 ALA 1 2HB ALA 1 -18.676 17.942 -9.136 8 H GLY 2 H GLY 2 -16.573 13.943 -9.946 9 HA2 GLY 2 1HA GLY 2 -14.663 14.171 -7.977 10 HA3 GLY 2 2HA GLY 2 -16.155 13.989 -7.051 11 H HIS 3 H HIS 3 -13.841 12.372 -9.099 12 HA HIS 3 HA HIS 3 -15.387 9.840 -9.148 13 HB2 HIS 3 1HB HIS 3 -13.907 10.841 -11.063 14 HB3 HIS 3 2HB HIS 3 -12.552 10.169 -10.175 15 HD1 HIS 3 HD1 HIS 3 -15.980 8.936 -11.570 16 HD2 HIS 3 HD2 HIS 3 -11.996 7.694 -10.877 17 HE1 HIS 3 HE1 HIS 3 -15.779 6.563 -12.546 18 HE2 HIS 3 HE2 HIS 3 -13.350 5.811 -12.131 19 H MET 4 H MET 4 -15.480 8.835 -7.260 20 HA MET 4 HA MET 4 -13.310 8.771 -5.302 21 HB2 MET 4 1HB MET 4 -16.123 7.661 -5.490 22 HB3 MET 4 2HB MET 4 -15.018 6.970 -4.314 23 HG2 MET 4 1HG MET 4 -16.197 8.597 -3.155 24 HG3 MET 4 2HG MET 4 -14.581 9.249 -3.390 25 HE1 MET 4 3HE MET 4 -17.148 12.289 -3.243 26 HE2 MET 4 1HE MET 4 -17.448 10.702 -2.507 27 HE3 MET 4 2HE MET 4 -15.835 11.439 -2.395 28 HA PRO 5 HA PRO 5 -11.273 4.994 -6.467 29 HB2 PRO 5 1HB PRO 5 -10.680 3.776 -4.072 30 HB3 PRO 5 2HB PRO 5 -9.887 5.282 -4.626 31 HG2 PRO 5 1HG PRO 5 -12.271 5.027 -2.765 32 HG3 PRO 5 2HG PRO 5 -10.774 5.979 -2.517 33 HD2 PRO 5 1HD PRO 5 -12.978 7.168 -3.445 34 HD3 PRO 5 2HD PRO 5 -11.389 7.573 -4.148 35 H GLU 6 H GLU 6 -14.169 4.740 -4.550 36 HA GLU 6 HA GLU 6 -14.656 2.050 -4.279 37 HB2 GLU 6 1HB GLU 6 -17.006 2.608 -4.118 38 HB3 GLU 6 2HB GLU 6 -16.013 3.827 -3.319 39 HG2 GLU 6 1HG GLU 6 -16.246 5.256 -5.422 40 HG3 GLU 6 2HG GLU 6 -17.385 4.065 -6.032 41 H GLY 7 H GLY 7 -15.051 3.847 -7.272 42 HA2 GLY 7 1HA GLY 7 -15.875 3.318 -9.369 43 HA3 GLY 7 2HA GLY 7 -14.828 1.911 -9.179 44 H SER 8 H SER 8 -15.932 0.273 -10.005 45 HA SER 8 HA SER 8 -18.153 -0.902 -8.636 46 HB2 SER 8 1HB SER 8 -19.631 -1.039 -10.769 47 HB3 SER 8 2HB SER 8 -19.757 0.320 -9.664 48 HG SER 8 HG SER 8 -18.653 1.615 -11.063 49 H ALA 9 H ALA 9 -16.354 -2.315 -8.514 50 HA ALA 9 HA ALA 9 -16.586 -4.516 -10.385 51 HB1 ALA 9 3HB ALA 9 -14.733 -2.800 -11.291 52 HB2 ALA 9 1HB ALA 9 -13.721 -3.607 -10.077 53 HB3 ALA 9 2HB ALA 9 -14.493 -4.547 -11.375 54 H SER 10 H SER 10 -14.896 -6.310 -9.743 55 HA SER 10 HA SER 10 -14.074 -6.341 -6.914 56 HB2 SER 10 1HB SER 10 -15.198 -8.574 -6.530 57 HB3 SER 10 2HB SER 10 -16.224 -7.141 -6.503 58 HG SER 10 HG SER 10 -16.953 -7.625 -8.580 59 H LEU 11 H LEU 11 -12.065 -6.223 -8.072 60 HA LEU 11 HA LEU 11 -11.013 -8.874 -8.998 61 HB2 LEU 11 1HB LEU 11 -10.479 -6.062 -10.041 62 HB3 LEU 11 2HB LEU 11 -9.335 -7.354 -10.283 63 HG LEU 11 HG LEU 11 -10.555 -7.054 -12.264 64 HD11 LEU 11 1HD1 LEU 11 -11.556 -9.635 -11.007 65 HD12 LEU 11 2HD1 LEU 11 -9.921 -9.375 -11.664 66 HD13 LEU 11 3HD1 LEU 11 -11.334 -9.289 -12.730 67 HD21 LEU 11 3HD2 LEU 11 -12.663 -6.119 -11.248 68 HD22 LEU 11 1HD2 LEU 11 -13.173 -7.802 -10.949 69 HD23 LEU 11 2HD2 LEU 11 -12.878 -7.246 -12.601 70 H GLN 12 H GLN 12 -8.646 -9.089 -8.755 71 HA GLN 12 HA GLN 12 -7.804 -8.458 -6.047 72 HB2 GLN 12 1HB GLN 12 -7.136 -10.435 -7.942 73 HB3 GLN 12 2HB GLN 12 -5.713 -9.413 -7.926 74 HG2 GLN 12 1HG GLN 12 -6.309 -9.761 -5.180 75 HG3 GLN 12 2HG GLN 12 -6.729 -11.305 -5.906 76 HE21 GLN 12 2HE2 GLN 12 -4.092 -9.263 -4.853 77 HE22 GLN 12 1HE2 GLN 12 -2.826 -10.330 -5.428 78 H LEU 13 H LEU 13 -5.964 -7.236 -5.417 79 HA LEU 13 HA LEU 13 -5.528 -4.758 -6.799 80 HB2 LEU 13 1HB LEU 13 -5.396 -5.408 -4.243 81 HB3 LEU 13 2HB LEU 13 -3.745 -5.872 -4.609 82 HG LEU 13 HG LEU 13 -3.789 -3.704 -3.652 83 HD11 LEU 13 1HD1 LEU 13 -3.255 -2.994 -6.498 84 HD12 LEU 13 2HD1 LEU 13 -2.184 -4.076 -5.555 85 HD13 LEU 13 3HD1 LEU 13 -2.492 -2.428 -5.004 86 HD21 LEU 13 3HD2 LEU 13 -4.912 -1.771 -5.058 87 HD22 LEU 13 1HD2 LEU 13 -5.804 -2.704 -3.855 88 HD23 LEU 13 2HD2 LEU 13 -5.989 -3.076 -5.570 89 H ALA 14 H ALA 14 -4.060 -4.179 -8.261 90 HA ALA 14 HA ALA 14 -1.535 -5.651 -8.668 91 HB1 ALA 14 3HB ALA 14 -3.183 -6.747 -10.165 92 HB2 ALA 14 1HB ALA 14 -3.579 -5.172 -10.887 93 HB3 ALA 14 2HB ALA 14 -1.960 -5.874 -11.101 94 H VAL 15 H VAL 15 -0.319 -4.448 -10.599 95 HA VAL 15 HA VAL 15 0.234 -1.771 -9.751 96 HB VAL 15 HB VAL 15 0.948 -3.034 -12.429 97 HG11 VAL 15 1HG1 VAL 15 1.242 -0.596 -12.461 98 HG12 VAL 15 2HG1 VAL 15 2.078 -0.655 -10.894 99 HG13 VAL 15 3HG1 VAL 15 2.820 -1.370 -12.342 100 HG21 VAL 15 3HG2 VAL 15 3.193 -3.372 -11.227 101 HG22 VAL 15 1HG2 VAL 15 2.328 -3.059 -9.708 102 HG23 VAL 15 2HG2 VAL 15 1.887 -4.446 -10.729 103 H GLY 16 H GLY 16 -0.608 0.153 -10.261 104 HA2 GLY 16 1HA GLY 16 -1.733 1.796 -11.439 105 HA3 GLY 16 2HA GLY 16 -2.259 0.621 -12.637 106 H ASP 17 H ASP 17 -3.140 -0.759 -9.709 107 HA ASP 17 HA ASP 17 -5.925 0.006 -10.008 108 HB2 ASP 17 1HB ASP 17 -4.736 -2.209 -9.062 109 HB3 ASP 17 2HB ASP 17 -4.961 -1.377 -7.524 110 H ARG 18 H ARG 18 -7.161 0.610 -7.930 111 HA ARG 18 HA ARG 18 -5.973 3.139 -6.835 112 HB2 ARG 18 1HB ARG 18 -8.577 2.567 -7.926 113 HB3 ARG 18 2HB ARG 18 -8.806 2.757 -6.200 114 HG2 ARG 18 1HG ARG 18 -8.975 4.952 -6.770 115 HG3 ARG 18 2HG ARG 18 -7.228 4.913 -6.564 116 HD2 ARG 18 1HD ARG 18 -7.179 4.291 -9.108 117 HD3 ARG 18 2HD ARG 18 -8.859 4.828 -9.139 118 HE ARG 18 HE ARG 18 -6.525 6.460 -9.191 119 HH11 ARG 18 1HH1 ARG 18 -9.718 6.641 -7.773 120 HH12 ARG 18 2HH1 ARG 18 -9.640 8.377 -7.617 121 HH21 ARG 18 1HH2 ARG 18 -6.506 8.641 -9.005 122 HH22 ARG 18 2HH2 ARG 18 -7.866 9.469 -8.314 123 H VAL 19 H VAL 19 -5.841 3.565 -4.696 124 HA VAL 19 HA VAL 19 -6.935 1.628 -2.737 125 HB VAL 19 HB VAL 19 -4.950 1.434 -1.466 126 HG11 VAL 19 1HG1 VAL 19 -5.164 -0.158 -3.368 127 HG12 VAL 19 2HG1 VAL 19 -4.139 0.904 -4.354 128 HG13 VAL 19 3HG1 VAL 19 -3.475 0.136 -2.905 129 HG21 VAL 19 3HG2 VAL 19 -3.895 3.582 -1.766 130 HG22 VAL 19 1HG2 VAL 19 -2.771 2.292 -2.174 131 HG23 VAL 19 2HG2 VAL 19 -3.553 3.214 -3.483 132 H VAL 20 H VAL 20 -7.409 2.493 -0.732 133 HA VAL 20 HA VAL 20 -6.842 5.337 -0.231 134 HB VAL 20 HB VAL 20 -8.988 5.270 -1.389 135 HG11 VAL 20 1HG1 VAL 20 -10.991 4.376 -0.365 136 HG12 VAL 20 2HG1 VAL 20 -9.843 3.069 -0.682 137 HG13 VAL 20 3HG1 VAL 20 -10.049 3.689 0.973 138 HG21 VAL 20 3HG2 VAL 20 -9.392 6.057 1.512 139 HG22 VAL 20 1HG2 VAL 20 -8.571 7.045 0.287 140 HG23 VAL 20 2HG2 VAL 20 -10.282 6.647 0.105 141 H TYR 21 H TYR 21 -6.815 5.908 1.914 142 HA TYR 21 HA TYR 21 -6.405 3.689 3.839 143 HB2 TYR 21 1HB TYR 21 -5.602 6.520 3.534 144 HB3 TYR 21 2HB TYR 21 -6.065 6.091 5.164 145 HD1 TYR 21 HD2 TYR 21 -4.303 3.819 2.678 146 HD2 TYR 21 HD1 TYR 21 -4.061 6.126 6.329 147 HE1 TYR 21 HE2 TYR 21 -2.020 2.976 3.060 148 HE2 TYR 21 HE1 TYR 21 -1.820 5.237 6.741 149 HH TYR 21 HH TYR 21 -0.051 4.071 5.882 150 HA PRO 22 HA PRO 22 -10.250 3.937 5.854 151 HB2 PRO 22 1HB PRO 22 -9.693 3.577 8.517 152 HB3 PRO 22 2HB PRO 22 -9.458 2.308 7.279 153 HG2 PRO 22 1HG PRO 22 -7.373 4.185 8.432 154 HG3 PRO 22 2HG PRO 22 -7.266 2.411 8.206 155 HD2 PRO 22 1HD PRO 22 -6.186 4.142 6.396 156 HD3 PRO 22 2HD PRO 22 -6.983 2.640 5.870 157 H ASN 23 H ASN 23 -7.858 6.232 6.896 158 HA ASN 23 HA ASN 23 -9.697 8.463 7.174 159 HB2 ASN 23 1HB ASN 23 -9.090 8.828 9.647 160 HB3 ASN 23 2HB ASN 23 -10.244 7.566 9.285 161 HD21 ASN 23 2HD2 ASN 23 -6.662 7.844 9.594 162 HD22 ASN 23 1HD2 ASN 23 -6.511 6.343 10.527 163 H GLN 24 H GLN 24 -7.790 8.474 5.376 164 HA GLN 24 HA GLN 24 -5.894 10.499 6.369 165 HB2 GLN 24 1HB GLN 24 -4.796 8.235 6.724 166 HB3 GLN 24 2HB GLN 24 -4.771 8.055 4.972 167 HG2 GLN 24 1HG GLN 24 -2.615 8.764 5.706 168 HG3 GLN 24 2HG GLN 24 -3.349 10.053 4.769 169 HE21 GLN 24 2HE2 GLN 24 -2.665 8.962 8.155 170 HE22 GLN 24 1HE2 GLN 24 -2.682 10.596 8.808 171 H GLY 25 H GLY 25 -6.251 8.487 3.372 172 HA2 GLY 25 1HA GLY 25 -7.393 10.434 1.704 173 HA3 GLY 25 2HA GLY 25 -5.640 10.650 1.602 174 H VAL 26 H VAL 26 -6.649 10.124 -0.680 175 HA VAL 26 HA VAL 26 -6.612 7.220 -1.330 176 HB VAL 26 HB VAL 26 -7.124 7.900 -3.613 177 HG11 VAL 26 1HG1 VAL 26 -8.984 7.538 -2.082 178 HG12 VAL 26 2HG1 VAL 26 -8.954 9.243 -1.582 179 HG13 VAL 26 3HG1 VAL 26 -9.382 8.804 -3.246 180 HG21 VAL 26 3HG2 VAL 26 -5.992 10.072 -3.791 181 HG22 VAL 26 1HG2 VAL 26 -7.703 10.227 -4.192 182 HG23 VAL 26 2HG2 VAL 26 -7.121 10.783 -2.613 183 H CYS 27 H CYS 27 -5.115 6.313 -2.808 184 HA CYS 27 HA CYS 27 -2.684 7.877 -3.522 185 HB2 CYS 27 1HB CYS 27 -2.446 5.076 -2.393 186 HB3 CYS 27 2HB CYS 27 -1.181 6.267 -2.639 187 HG CYS 27 HG CYS 27 -1.925 5.515 -0.036 188 H ARG 28 H ARG 28 -1.284 6.495 -5.057 189 HA ARG 28 HA ARG 28 -2.942 4.719 -6.795 190 HB2 ARG 28 1HB ARG 28 -2.964 7.008 -7.662 191 HB3 ARG 28 2HB ARG 28 -1.197 7.045 -7.715 192 HG2 ARG 28 1HG ARG 28 -1.077 5.555 -9.519 193 HG3 ARG 28 2HG ARG 28 -2.658 4.829 -9.178 194 HD2 ARG 28 1HD ARG 28 -3.824 6.823 -9.911 195 HD3 ARG 28 2HD ARG 28 -2.311 7.692 -10.161 196 HE ARG 28 HE ARG 28 -3.523 5.641 -11.892 197 HH11 ARG 28 1HH1 ARG 28 -0.551 7.365 -11.259 198 HH12 ARG 28 2HH1 ARG 28 0.099 7.022 -12.839 199 HH21 ARG 28 1HH2 ARG 28 -2.665 5.251 -13.891 200 HH22 ARG 28 2HH2 ARG 28 -1.084 5.853 -14.291 201 H VAL 29 H VAL 29 -2.079 2.881 -7.263 202 HA VAL 29 HA VAL 29 0.558 2.060 -6.380 203 HB VAL 29 HB VAL 29 -1.348 0.548 -8.204 204 HG11 VAL 29 1HG1 VAL 29 0.978 -0.385 -8.059 205 HG12 VAL 29 2HG1 VAL 29 0.844 -0.399 -6.290 206 HG13 VAL 29 3HG1 VAL 29 -0.212 -1.429 -7.276 207 HG21 VAL 29 3HG2 VAL 29 -2.129 -0.564 -6.147 208 HG22 VAL 29 1HG2 VAL 29 -1.178 0.568 -5.162 209 HG23 VAL 29 2HG2 VAL 29 -2.547 1.141 -6.142 210 H SER 30 H SER 30 2.383 2.254 -7.334 211 HA SER 30 HA SER 30 2.546 2.719 -10.308 212 HB2 SER 30 1HB SER 30 3.331 4.555 -8.824 213 HB3 SER 30 2HB SER 30 4.565 3.460 -8.168 214 HG SER 30 HG SER 30 5.379 4.741 -9.903 215 H ALA 31 H ALA 31 3.859 0.787 -7.627 216 HA ALA 31 HA ALA 31 4.508 -1.416 -9.382 217 HB1 ALA 31 3HB ALA 31 6.760 0.031 -7.899 218 HB2 ALA 31 1HB ALA 31 6.913 -1.533 -8.731 219 HB3 ALA 31 2HB ALA 31 6.569 -0.070 -9.664 220 H ILE 32 H ILE 32 5.344 -3.294 -8.021 221 HA ILE 32 HA ILE 32 4.859 -3.153 -5.114 222 HB ILE 32 HB ILE 32 3.408 -5.193 -6.855 223 HG12 ILE 32 1HG1 ILE 32 2.178 -2.828 -5.367 224 HG13 ILE 32 2HG1 ILE 32 2.284 -3.036 -7.117 225 HG21 ILE 32 1HG2 ILE 32 2.321 -5.726 -4.568 226 HG22 ILE 32 2HG2 ILE 32 3.996 -6.192 -4.797 227 HG23 ILE 32 3HG2 ILE 32 3.613 -4.748 -3.854 228 HD11 ILE 32 3HD1 ILE 32 0.098 -3.646 -6.678 229 HD12 ILE 32 1HD1 ILE 32 0.925 -5.209 -6.795 230 HD13 ILE 32 2HD1 ILE 32 0.510 -4.528 -5.204 231 H ASP 33 H ASP 33 6.176 -4.631 -3.993 232 HA ASP 33 HA ASP 33 7.437 -6.844 -5.439 233 HB2 ASP 33 1HB ASP 33 8.859 -4.655 -5.719 234 HB3 ASP 33 2HB ASP 33 9.258 -4.871 -4.018 235 H VAL 34 H VAL 34 8.877 -8.162 -3.910 236 HA VAL 34 HA VAL 34 7.670 -8.269 -1.169 237 HB VAL 34 HB VAL 34 8.567 -10.611 -1.113 238 HG11 VAL 34 1HG1 VAL 34 6.418 -9.909 -3.141 239 HG12 VAL 34 2HG1 VAL 34 6.743 -11.557 -2.562 240 HG13 VAL 34 3HG1 VAL 34 6.236 -10.320 -1.422 241 HG21 VAL 34 3HG2 VAL 34 10.184 -10.446 -3.027 242 HG22 VAL 34 1HG2 VAL 34 9.062 -11.803 -3.145 243 HG23 VAL 34 2HG2 VAL 34 8.797 -10.361 -4.139 244 H LYS 35 H LYS 35 8.921 -8.366 0.650 245 HA LYS 35 HA LYS 35 11.796 -8.681 0.536 246 HB2 LYS 35 1HB LYS 35 12.449 -6.564 1.477 247 HB3 LYS 35 2HB LYS 35 11.691 -6.283 -0.072 248 HG2 LYS 35 1HG LYS 35 9.750 -5.363 0.873 249 HG3 LYS 35 2HG LYS 35 10.050 -6.036 2.475 250 HD2 LYS 35 1HD LYS 35 11.783 -3.851 1.235 251 HD3 LYS 35 2HD LYS 35 10.371 -3.570 2.246 252 HE2 LYS 35 1HE LYS 35 11.874 -3.473 3.911 253 HE3 LYS 35 2HE LYS 35 11.587 -5.212 3.940 254 HZ1 LYS 35 3HZ LYS 35 13.950 -4.666 3.994 255 HZ2 LYS 35 1HZ LYS 35 13.866 -3.873 2.568 256 HZ3 LYS 35 2HZ LYS 35 13.636 -5.494 2.636 257 H GLU 36 H GLU 36 12.778 -8.335 2.739 258 HA GLU 36 HA GLU 36 10.989 -9.326 4.923 259 HB2 GLU 36 1HB GLU 36 13.573 -10.244 3.972 260 HB3 GLU 36 2HB GLU 36 13.789 -9.541 5.568 261 HG2 GLU 36 1HG GLU 36 11.527 -11.082 5.959 262 HG3 GLU 36 2HG GLU 36 12.398 -12.011 4.736 263 H VAL 37 H VAL 37 10.458 -7.887 6.407 264 HA VAL 37 HA VAL 37 12.492 -5.883 7.297 265 HB VAL 37 HB VAL 37 10.877 -4.746 5.824 266 HG11 VAL 37 1HG1 VAL 37 8.581 -4.394 6.416 267 HG12 VAL 37 2HG1 VAL 37 8.881 -6.143 6.355 268 HG13 VAL 37 3HG1 VAL 37 8.752 -5.320 7.920 269 HG21 VAL 37 3HG2 VAL 37 10.539 -3.838 8.700 270 HG22 VAL 37 1HG2 VAL 37 12.009 -3.576 7.731 271 HG23 VAL 37 2HG2 VAL 37 10.472 -2.857 7.225 272 H ALA 38 H ALA 38 12.648 -5.644 9.475 273 HA ALA 38 HA ALA 38 12.670 -6.415 11.618 274 HB1 ALA 38 3HB ALA 38 9.663 -6.093 11.300 275 HB2 ALA 38 1HB ALA 38 10.597 -5.977 12.807 276 HB3 ALA 38 2HB ALA 38 10.820 -4.764 11.534 277 H GLY 39 H GLY 39 12.656 -8.629 9.702 278 HA2 GLY 39 1HA GLY 39 12.814 -10.947 9.926 279 HA3 GLY 39 2HA GLY 39 12.055 -10.860 11.506 280 H GLN 40 H GLN 40 10.451 -9.472 8.652 281 HA GLN 40 HA GLN 40 8.498 -11.731 8.527 282 HB2 GLN 40 1HB GLN 40 7.706 -9.915 10.038 283 HB3 GLN 40 2HB GLN 40 7.927 -8.751 8.748 284 HG2 GLN 40 1HG GLN 40 5.826 -9.050 8.184 285 HG3 GLN 40 2HG GLN 40 6.249 -10.635 7.542 286 HE21 GLN 40 2HE2 GLN 40 4.492 -11.965 8.148 287 HE22 GLN 40 1HE2 GLN 40 3.849 -11.973 9.786 288 H LYS 41 H LYS 41 8.607 -12.490 6.499 289 HA LYS 41 HA LYS 41 9.320 -10.702 4.242 290 HB2 LYS 41 1HB LYS 41 10.469 -13.013 4.700 291 HB3 LYS 41 2HB LYS 41 9.011 -13.701 4.001 292 HG2 LYS 41 1HG LYS 41 9.312 -12.231 1.986 293 HG3 LYS 41 2HG LYS 41 10.821 -11.621 2.667 294 HD2 LYS 41 1HD LYS 41 12.004 -13.496 2.129 295 HD3 LYS 41 2HD LYS 41 10.656 -14.594 2.481 296 HE2 LYS 41 1HE LYS 41 9.528 -13.987 0.412 297 HE3 LYS 41 2HE LYS 41 10.776 -12.801 0.012 298 HZ1 LYS 41 3HZ LYS 41 12.309 -14.507 -0.420 299 HZ2 LYS 41 1HZ LYS 41 10.931 -15.136 -1.025 300 HZ3 LYS 41 2HZ LYS 41 11.489 -15.644 0.421 301 H LEU 42 H LEU 42 7.774 -9.831 3.019 302 HA LEU 42 HA LEU 42 5.502 -11.371 2.074 303 HB2 LEU 42 1HB LEU 42 3.727 -10.403 3.240 304 HB3 LEU 42 2HB LEU 42 4.894 -10.750 4.476 305 HG LEU 42 HG LEU 42 5.587 -8.166 3.709 306 HD11 LEU 42 1HD1 LEU 42 2.612 -8.091 4.158 307 HD12 LEU 42 2HD1 LEU 42 3.212 -8.373 2.523 308 HD13 LEU 42 3HD1 LEU 42 3.724 -6.922 3.367 309 HD21 LEU 42 3HD2 LEU 42 4.563 -7.474 5.863 310 HD22 LEU 42 1HD2 LEU 42 5.622 -8.885 5.962 311 HD23 LEU 42 2HD2 LEU 42 3.849 -9.098 6.011 312 H THR 43 H THR 43 3.934 -9.894 0.820 313 HA THR 43 HA THR 43 5.419 -8.230 -1.054 314 HB THR 43 HB THR 43 2.416 -8.676 -0.912 315 HG1 THR 43 HG1 THR 43 2.827 -10.365 -2.370 316 HG21 THR 43 3HG2 THR 43 4.343 -7.972 -3.171 317 HG22 THR 43 1HG2 THR 43 3.104 -6.910 -2.454 318 HG23 THR 43 2HG2 THR 43 2.614 -8.333 -3.380 319 H PHE 44 H PHE 44 5.829 -6.112 -0.768 320 HA PHE 44 HA PHE 44 3.957 -4.437 0.868 321 HB2 PHE 44 1HB PHE 44 6.905 -4.070 0.263 322 HB3 PHE 44 2HB PHE 44 5.878 -2.888 1.053 323 HD1 PHE 44 HD2 PHE 44 5.047 -3.225 3.366 324 HD2 PHE 44 HD1 PHE 44 7.615 -6.126 1.455 325 HE1 PHE 44 HE2 PHE 44 5.413 -4.380 5.572 326 HE2 PHE 44 HE1 PHE 44 7.956 -7.243 3.641 327 HZ PHE 44 HZ PHE 44 6.787 -6.427 5.653 328 H VAL 45 H VAL 45 2.590 -3.306 -0.341 329 HA VAL 45 HA VAL 45 2.931 -2.828 -3.203 330 HB VAL 45 HB VAL 45 0.993 -1.346 -3.017 331 HG11 VAL 45 1HG1 VAL 45 -0.158 -3.579 -1.537 332 HG12 VAL 45 2HG1 VAL 45 -0.359 -3.096 -3.227 333 HG13 VAL 45 3HG1 VAL 45 1.001 -4.132 -2.755 334 HG21 VAL 45 3HG2 VAL 45 1.360 -0.515 -0.665 335 HG22 VAL 45 1HG2 VAL 45 -0.282 -1.087 -0.981 336 HG23 VAL 45 2HG2 VAL 45 0.838 -2.104 -0.073 337 H THR 46 H THR 46 3.332 -0.818 -4.323 338 HA THR 46 HA THR 46 4.507 1.323 -2.602 339 HB THR 46 HB THR 46 5.605 0.902 -5.367 340 HG1 THR 46 HG1 THR 46 5.844 -1.105 -4.449 341 HG21 THR 46 3HG2 THR 46 6.297 2.884 -4.092 342 HG22 THR 46 1HG2 THR 46 7.653 1.747 -4.221 343 HG23 THR 46 2HG2 THR 46 6.745 1.862 -2.703 344 H MET 47 H MET 47 3.115 2.904 -2.594 345 HA MET 47 HA MET 47 1.901 3.814 -5.159 346 HB2 MET 47 1HB MET 47 0.968 4.225 -2.286 347 HB3 MET 47 2HB MET 47 0.267 4.991 -3.702 348 HG2 MET 47 1HG MET 47 -1.176 3.272 -3.299 349 HG3 MET 47 2HG MET 47 -0.194 2.683 -4.610 350 HE1 MET 47 3HE MET 47 -0.664 2.949 -0.943 351 HE2 MET 47 1HE MET 47 -1.138 1.271 -0.605 352 HE3 MET 47 2HE MET 47 0.522 1.804 -0.278 353 H ARG 48 H ARG 48 1.681 6.007 -5.505 354 HA ARG 48 HA ARG 48 3.510 7.906 -4.055 355 HB2 ARG 48 1HB ARG 48 3.394 7.184 -6.996 356 HB3 ARG 48 2HB ARG 48 3.918 8.798 -6.493 357 HG2 ARG 48 1HG ARG 48 5.776 7.991 -5.293 358 HG3 ARG 48 2HG ARG 48 5.171 6.335 -5.241 359 HD2 ARG 48 1HD ARG 48 7.073 6.585 -6.794 360 HD3 ARG 48 2HD ARG 48 5.613 5.950 -7.538 361 HE ARG 48 HE ARG 48 5.521 7.764 -8.944 362 HH11 ARG 48 1HH1 ARG 48 7.695 8.718 -6.368 363 HH12 ARG 48 2HH1 ARG 48 8.116 10.209 -7.166 364 HH21 ARG 48 1HH2 ARG 48 6.109 9.640 -9.905 365 HH22 ARG 48 2HH2 ARG 48 7.242 10.704 -9.129 366 H ARG 49 H ARG 49 2.195 9.286 -3.132 367 HA ARG 49 HA ARG 49 -0.421 10.114 -4.294 368 HB2 ARG 49 1HB ARG 49 1.070 10.624 -1.705 369 HB3 ARG 49 2HB ARG 49 -0.124 11.813 -2.246 370 HG2 ARG 49 1HG ARG 49 -1.855 10.127 -2.403 371 HG3 ARG 49 2HG ARG 49 -0.717 8.847 -1.968 372 HD2 ARG 49 1HD ARG 49 -2.148 9.475 -0.058 373 HD3 ARG 49 2HD ARG 49 -0.441 9.753 0.263 374 HE ARG 49 HE ARG 49 -0.853 11.998 0.530 375 HH11 ARG 49 1HH1 ARG 49 -3.704 10.769 -1.148 376 HH12 ARG 49 2HH1 ARG 49 -4.521 12.309 -0.955 377 HH21 ARG 49 1HH2 ARG 49 -2.037 13.846 0.787 378 HH22 ARG 49 2HH2 ARG 49 -3.639 13.938 0.112 379 H GLU 50 H GLU 50 -0.231 11.322 -6.055 380 HA GLU 50 HA GLU 50 1.834 13.253 -6.576 381 HB2 GLU 50 1HB GLU 50 0.610 13.778 -8.547 382 HB3 GLU 50 2HB GLU 50 0.474 12.044 -8.270 383 HG2 GLU 50 1HG GLU 50 -1.800 12.620 -7.103 384 HG3 GLU 50 2HG GLU 50 -1.641 14.191 -7.886 385 H GLU 51 H GLU 51 -0.938 13.490 -4.607 386 HA GLU 51 HA GLU 51 -1.610 16.241 -4.616 387 HB2 GLU 51 1HB GLU 51 -1.580 14.135 -2.418 388 HB3 GLU 51 2HB GLU 51 -2.228 15.752 -2.180 389 HG2 GLU 51 1HG GLU 51 -3.413 14.671 -4.596 390 HG3 GLU 51 2HG GLU 51 -3.503 13.443 -3.340 391 H ASP 52 H ASP 52 0.933 14.570 -2.787 392 HA ASP 52 HA ASP 52 2.186 17.211 -2.107 393 HB2 ASP 52 1HB ASP 52 0.989 15.381 -0.285 394 HB3 ASP 52 2HB ASP 52 2.716 15.170 -0.091 395 H GLY 53 H GLY 53 2.710 14.151 -3.537 396 HA2 GLY 53 1HA GLY 53 4.585 13.457 -4.714 397 HA3 GLY 53 2HA GLY 53 5.597 14.635 -3.882 398 H ALA 54 H ALA 54 3.732 12.902 -1.628 399 HA ALA 54 HA ALA 54 6.064 11.490 -0.586 400 HB1 ALA 54 3HB ALA 54 3.146 11.447 0.315 401 HB2 ALA 54 1HB ALA 54 4.549 10.881 1.245 402 HB3 ALA 54 2HB ALA 54 4.380 12.604 0.870 403 H VAL 55 H VAL 55 6.020 9.244 0.034 404 HA VAL 55 HA VAL 55 4.717 7.424 -1.946 405 HB VAL 55 HB VAL 55 6.483 5.773 -1.275 406 HG11 VAL 55 1HG1 VAL 55 6.628 6.845 -3.391 407 HG12 VAL 55 2HG1 VAL 55 7.276 8.346 -2.688 408 HG13 VAL 55 3HG1 VAL 55 8.252 6.862 -2.701 409 HG21 VAL 55 3HG2 VAL 55 7.945 8.191 -0.124 410 HG22 VAL 55 1HG2 VAL 55 7.301 6.827 0.823 411 HG23 VAL 55 2HG2 VAL 55 8.593 6.559 -0.350 412 H VAL 56 H VAL 56 3.523 5.757 -1.269 413 HA VAL 56 HA VAL 56 3.118 5.353 1.672 414 HB VAL 56 HB VAL 56 0.877 5.357 -0.381 415 HG11 VAL 56 1HG1 VAL 56 0.364 3.691 1.267 416 HG12 VAL 56 2HG1 VAL 56 0.996 4.690 2.591 417 HG13 VAL 56 3HG1 VAL 56 -0.509 5.137 1.771 418 HG21 VAL 56 3HG2 VAL 56 0.024 7.259 1.006 419 HG22 VAL 56 1HG2 VAL 56 1.568 7.272 1.882 420 HG23 VAL 56 2HG2 VAL 56 1.515 7.640 0.142 421 H MET 57 H MET 57 3.837 3.472 2.193 422 HA MET 57 HA MET 57 3.416 1.135 0.407 423 HB2 MET 57 1HB MET 57 5.702 1.730 0.096 424 HB3 MET 57 2HB MET 57 5.985 1.937 1.827 425 HG2 MET 57 1HG MET 57 4.993 -0.748 0.968 426 HG3 MET 57 2HG MET 57 6.594 -0.315 0.403 427 HE1 MET 57 3HE MET 57 8.481 -1.309 1.522 428 HE2 MET 57 1HE MET 57 8.624 0.372 2.087 429 HE3 MET 57 2HE MET 57 8.884 -0.976 3.219 430 H VAL 58 H VAL 58 2.354 -0.418 1.324 431 HA VAL 58 HA VAL 58 2.479 -0.804 4.250 432 HB VAL 58 HB VAL 58 0.080 -1.268 4.419 433 HG11 VAL 58 1HG1 VAL 58 0.944 0.977 4.960 434 HG12 VAL 58 2HG1 VAL 58 0.549 1.514 3.312 435 HG13 VAL 58 3HG1 VAL 58 -0.738 0.983 4.414 436 HG21 VAL 58 3HG2 VAL 58 -1.514 -0.608 2.709 437 HG22 VAL 58 1HG2 VAL 58 -0.195 -0.220 1.586 438 HG23 VAL 58 2HG2 VAL 58 -0.461 -1.904 2.124 439 HA PRO 59 HA PRO 59 2.927 -5.026 3.137 440 HB2 PRO 59 1HB PRO 59 2.015 -6.286 5.406 441 HB3 PRO 59 2HB PRO 59 3.562 -5.442 5.334 442 HG2 PRO 59 1HG PRO 59 0.922 -4.389 6.369 443 HG3 PRO 59 2HG PRO 59 2.541 -4.271 7.145 444 HD2 PRO 59 1HD PRO 59 1.522 -2.226 5.749 445 HD3 PRO 59 2HD PRO 59 3.251 -2.646 5.587 446 H GLU 60 H GLU 60 1.647 -6.121 1.648 447 HA GLU 60 HA GLU 60 -1.190 -6.038 1.633 448 HB2 GLU 60 1HB GLU 60 0.710 -8.025 0.316 449 HB3 GLU 60 2HB GLU 60 -1.030 -7.992 0.059 450 HG2 GLU 60 1HG GLU 60 -0.514 -5.395 -0.430 451 HG3 GLU 60 2HG GLU 60 1.046 -6.059 -0.913 452 H GLY 61 H GLY 61 0.901 -8.600 2.968 453 HA2 GLY 61 1HA GLY 61 -1.460 -10.191 3.851 454 HA3 GLY 61 2HA GLY 61 0.239 -10.666 3.969 455 H LYS 62 H LYS 62 -0.143 -7.550 5.118 456 HA LYS 62 HA LYS 62 -0.702 -8.361 7.947 457 HB2 LYS 62 1HB LYS 62 1.842 -8.023 7.041 458 HB3 LYS 62 2HB LYS 62 1.422 -6.365 7.474 459 HG2 LYS 62 1HG LYS 62 1.032 -6.975 9.769 460 HG3 LYS 62 2HG LYS 62 1.411 -8.677 9.396 461 HD2 LYS 62 1HD LYS 62 3.689 -8.177 8.865 462 HD3 LYS 62 2HD LYS 62 3.383 -6.467 8.624 463 HE2 LYS 62 1HE LYS 62 4.571 -6.651 10.673 464 HE3 LYS 62 2HE LYS 62 2.910 -6.204 11.069 465 HZ1 LYS 62 3HZ LYS 62 3.718 -7.942 12.539 466 HZ2 LYS 62 1HZ LYS 62 4.080 -8.935 11.298 467 HZ3 LYS 62 2HZ LYS 62 2.515 -8.570 11.634 468 H VAL 63 H VAL 63 -1.724 -6.355 5.474 469 HA VAL 63 HA VAL 63 -2.256 -3.875 6.532 470 HB VAL 63 HB VAL 63 -4.495 -3.999 5.418 471 HG11 VAL 63 1HG1 VAL 63 -3.739 -3.642 3.259 472 HG12 VAL 63 2HG1 VAL 63 -2.419 -3.122 4.321 473 HG13 VAL 63 3HG1 VAL 63 -2.324 -4.680 3.466 474 HG21 VAL 63 3HG2 VAL 63 -4.449 -6.683 5.493 475 HG22 VAL 63 1HG2 VAL 63 -5.336 -5.753 4.278 476 HG23 VAL 63 2HG2 VAL 63 -3.752 -6.438 3.895 477 H LEU 64 H LEU 64 -3.743 -6.846 7.560 478 HA LEU 64 HA LEU 64 -5.981 -5.955 9.003 479 HB2 LEU 64 1HB LEU 64 -4.170 -8.226 9.882 480 HB3 LEU 64 2HB LEU 64 -5.904 -8.062 10.118 481 HG LEU 64 HG LEU 64 -4.437 -8.732 7.514 482 HD11 LEU 64 1HD1 LEU 64 -6.496 -10.268 9.158 483 HD12 LEU 64 2HD1 LEU 64 -4.742 -10.542 9.206 484 HD13 LEU 64 3HD1 LEU 64 -5.640 -10.838 7.709 485 HD21 LEU 64 3HD2 LEU 64 -7.428 -8.273 7.959 486 HD22 LEU 64 1HD2 LEU 64 -6.698 -8.996 6.508 487 HD23 LEU 64 2HD2 LEU 64 -6.362 -7.311 6.915 488 H ALA 65 H ALA 65 -2.577 -5.776 9.886 489 HA ALA 65 HA ALA 65 -2.955 -5.106 12.691 490 HB1 ALA 65 3HB ALA 65 -0.922 -6.219 11.772 491 HB2 ALA 65 1HB ALA 65 -0.540 -4.746 10.855 492 HB3 ALA 65 2HB ALA 65 -0.545 -4.711 12.629 493 H ILE 66 H ILE 66 -2.139 -3.197 9.757 494 HA ILE 66 HA ILE 66 -2.134 -0.628 11.114 495 HB ILE 66 HB ILE 66 -2.438 -1.182 8.130 496 HG12 ILE 66 1HG1 ILE 66 0.170 -0.335 8.465 497 HG13 ILE 66 2HG1 ILE 66 -0.043 -1.252 9.948 498 HG21 ILE 66 1HG2 ILE 66 -3.005 1.157 8.776 499 HG22 ILE 66 2HG2 ILE 66 -1.443 1.306 9.595 500 HG23 ILE 66 3HG2 ILE 66 -1.522 1.079 7.834 501 HD11 ILE 66 3HD1 ILE 66 -0.743 -3.229 8.532 502 HD12 ILE 66 1HD1 ILE 66 -0.450 -2.235 7.088 503 HD13 ILE 66 2HD1 ILE 66 0.891 -2.638 8.186 504 H GLY 67 H GLY 67 -4.602 -2.521 9.463 505 HA2 GLY 67 1HA GLY 67 -6.933 -2.380 9.741 506 HA3 GLY 67 2HA GLY 67 -6.787 -0.774 10.447 507 H VAL 68 H VAL 68 -4.938 -0.918 7.621 508 HA VAL 68 HA VAL 68 -6.860 0.684 6.056 509 HB VAL 68 HB VAL 68 -4.031 -0.305 5.456 510 HG11 VAL 68 1HG1 VAL 68 -4.004 1.317 3.579 511 HG12 VAL 68 2HG1 VAL 68 -5.062 -0.053 3.297 512 HG13 VAL 68 3HG1 VAL 68 -5.761 1.518 3.759 513 HG21 VAL 68 3HG2 VAL 68 -4.512 1.641 7.200 514 HG22 VAL 68 1HG2 VAL 68 -3.195 1.747 6.017 515 HG23 VAL 68 2HG2 VAL 68 -4.707 2.596 5.729 516 H ARG 69 H ARG 69 -7.787 0.084 4.083 517 HA ARG 69 HA ARG 69 -7.464 -2.769 3.255 518 HB2 ARG 69 1HB ARG 69 -9.939 -1.404 4.145 519 HB3 ARG 69 2HB ARG 69 -10.100 -2.159 2.576 520 HG2 ARG 69 1HG ARG 69 -9.134 -3.551 5.104 521 HG3 ARG 69 2HG ARG 69 -10.762 -3.645 4.443 522 HD2 ARG 69 1HD ARG 69 -8.824 -4.362 2.373 523 HD3 ARG 69 2HD ARG 69 -8.509 -5.291 3.847 524 HE ARG 69 HE ARG 69 -11.313 -5.365 3.257 525 HH11 ARG 69 1HH1 ARG 69 -8.330 -6.784 2.105 526 HH12 ARG 69 2HH1 ARG 69 -9.151 -8.134 1.375 527 HH21 ARG 69 1HH2 ARG 69 -12.301 -7.085 2.269 528 HH22 ARG 69 2HH2 ARG 69 -11.339 -8.289 1.471 529 H LYS 70 H LYS 70 -6.414 -2.669 1.535 530 HA LYS 70 HA LYS 70 -7.025 -0.670 -0.630 531 HB2 LYS 70 1HB LYS 70 -4.681 -1.306 -1.389 532 HB3 LYS 70 2HB LYS 70 -4.810 -0.301 0.050 533 HG2 LYS 70 1HG LYS 70 -3.736 -1.732 1.339 534 HG3 LYS 70 2HG LYS 70 -4.662 -3.128 0.815 535 HD2 LYS 70 1HD LYS 70 -2.508 -1.987 -0.977 536 HD3 LYS 70 2HD LYS 70 -2.067 -3.019 0.378 537 HE2 LYS 70 1HE LYS 70 -4.077 -3.814 -1.768 538 HE3 LYS 70 2HE LYS 70 -2.352 -4.185 -1.853 539 HZ1 LYS 70 3HZ LYS 70 -2.835 -5.270 0.455 540 HZ2 LYS 70 1HZ LYS 70 -3.163 -6.055 -0.946 541 HZ3 LYS 70 2HZ LYS 70 -4.384 -5.339 -0.094 542 H VAL 71 H VAL 71 -8.457 -1.581 -1.852 543 HA VAL 71 HA VAL 71 -7.736 -4.015 -3.422 544 HB VAL 71 HB VAL 71 -10.406 -3.855 -1.958 545 HG11 VAL 71 1HG1 VAL 71 -10.731 -6.155 -3.000 546 HG12 VAL 71 2HG1 VAL 71 -10.821 -4.817 -4.137 547 HG13 VAL 71 3HG1 VAL 71 -9.345 -5.801 -4.051 548 HG21 VAL 71 3HG2 VAL 71 -8.102 -5.824 -1.683 549 HG22 VAL 71 1HG2 VAL 71 -8.691 -4.689 -0.442 550 HG23 VAL 71 2HG2 VAL 71 -9.712 -6.024 -0.956 551 H ALA 72 H ALA 72 -10.645 -2.047 -3.023 552 HA ALA 72 HA ALA 72 -10.632 -0.443 -5.324 553 HB1 ALA 72 3HB ALA 72 -12.365 -1.709 -6.702 554 HB2 ALA 72 1HB ALA 72 -10.741 -2.396 -6.752 555 HB3 ALA 72 2HB ALA 72 -11.988 -3.156 -5.742 556 H SER 73 H SER 73 -12.969 -2.652 -3.734 557 HA SER 73 HA SER 73 -14.757 -0.393 -3.000 558 HB2 SER 73 1HB SER 73 -16.512 -2.096 -3.005 559 HB3 SER 73 2HB SER 73 -15.654 -2.042 -4.554 560 HG SER 73 HG SER 73 -16.029 -4.201 -3.548 561 H ALA 74 H ALA 74 -12.448 -2.074 -1.453 562 HA ALA 74 HA ALA 74 -13.812 -2.923 0.981 563 HB1 ALA 74 3HB ALA 74 -10.848 -2.674 0.358 564 HB2 ALA 74 1HB ALA 74 -11.614 -3.520 1.731 565 HB3 ALA 74 2HB ALA 74 -11.867 -4.108 0.088 566 H GLU 75 H GLU 75 -11.229 -0.558 0.522 567 HA GLU 75 HA GLU 75 -10.654 1.429 1.276 568 HB2 GLU 75 1HB GLU 75 -13.509 1.903 2.198 569 HB3 GLU 75 2HB GLU 75 -12.275 3.106 1.927 570 HG2 GLU 75 1HG GLU 75 -12.951 3.392 -0.160 571 HG3 GLU 75 2HG GLU 75 -12.481 1.754 -0.562
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