NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27702 | 2rot | 11043 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.513 0.522 -1.988 3 HB2 MET 1 1HB MET 1 3.745 0.599 -0.025 4 HB3 MET 1 2HB MET 1 4.160 0.290 -1.706 5 HG2 MET 1 1HG MET 1 2.436 2.609 -0.921 6 HG3 MET 1 2HG MET 1 4.195 2.704 -0.875 7 HE1 MET 1 3HE MET 1 5.462 1.440 -3.193 8 HE2 MET 1 1HE MET 1 5.296 2.599 -4.512 9 HE3 MET 1 2HE MET 1 5.670 3.165 -2.884 10 H ASP 2 H ASP 2 0.483 -1.545 -2.442 11 HA ASP 2 HA ASP 2 2.254 -3.874 -2.318 12 HB2 ASP 2 1HB ASP 2 -0.690 -3.582 -2.924 13 HB3 ASP 2 2HB ASP 2 0.182 -5.101 -3.112 14 H GLU 3 H GLU 3 2.768 -1.678 -4.154 15 HA GLU 3 HA GLU 3 3.059 -1.212 -6.389 16 HB2 GLU 3 1HB GLU 3 4.355 -2.938 -7.526 17 HB3 GLU 3 2HB GLU 3 4.881 -2.767 -5.858 18 HG2 GLU 3 1HG GLU 3 3.901 -4.786 -5.216 19 HG3 GLU 3 2HG GLU 3 2.892 -4.857 -6.660 20 H THR 4 H THR 4 0.376 -1.700 -5.931 21 HA THR 4 HA THR 4 -0.798 -3.678 -7.532 22 HB THR 4 HB THR 4 -2.854 -2.508 -7.306 23 HG1 THR 4 HG1 THR 4 -2.940 -0.311 -6.787 24 HG21 THR 4 3HG2 THR 4 -1.245 -1.783 -4.859 25 HG22 THR 4 1HG2 THR 4 -1.841 -3.406 -5.204 26 HG23 THR 4 2HG2 THR 4 -2.980 -2.084 -4.946 27 H GLY 5 H GLY 5 0.470 -0.512 -8.311 28 HA2 GLY 5 1HA GLY 5 0.701 0.606 -10.305 29 HA3 GLY 5 2HA GLY 5 0.846 -0.999 -11.007 30 H LYS 6 H LYS 6 -1.890 0.704 -9.497 31 HA LYS 6 HA LYS 6 -3.415 0.218 -11.971 32 HB2 LYS 6 1HB LYS 6 -4.538 0.549 -9.186 33 HB3 LYS 6 2HB LYS 6 -5.418 0.077 -10.634 34 HG2 LYS 6 1HG LYS 6 -3.238 -1.534 -9.321 35 HG3 LYS 6 2HG LYS 6 -4.972 -1.819 -9.148 36 HD2 LYS 6 1HD LYS 6 -3.576 -1.804 -11.816 37 HD3 LYS 6 2HD LYS 6 -3.758 -3.264 -10.840 38 HE2 LYS 6 1HE LYS 6 -6.147 -1.583 -11.478 39 HE3 LYS 6 2HE LYS 6 -5.511 -2.699 -12.685 40 HZ1 LYS 6 3HZ LYS 6 -6.945 -4.077 -11.630 41 HZ2 LYS 6 1HZ LYS 6 -6.842 -3.264 -10.150 42 HZ3 LYS 6 2HZ LYS 6 -5.609 -4.322 -10.622 43 H GLU 7 H GLU 7 -3.768 2.345 -9.130 44 HA GLU 7 HA GLU 7 -3.735 4.671 -10.902 45 HB2 GLU 7 1HB GLU 7 -5.903 4.357 -8.835 46 HB3 GLU 7 2HB GLU 7 -5.791 5.552 -10.120 47 HG2 GLU 7 1HG GLU 7 -5.843 3.338 -11.608 48 HG3 GLU 7 2HG GLU 7 -6.732 2.755 -10.202 49 H LEU 8 H LEU 8 -2.044 5.744 -10.092 50 HA LEU 8 HA LEU 8 -1.830 6.028 -7.171 51 HB2 LEU 8 1HB LEU 8 0.053 5.099 -8.803 52 HB3 LEU 8 2HB LEU 8 0.396 6.820 -8.968 53 HG LEU 8 HG LEU 8 0.737 6.971 -6.539 54 HD11 LEU 8 1HD1 LEU 8 1.110 4.483 -5.583 55 HD12 LEU 8 2HD1 LEU 8 -0.254 4.200 -6.664 56 HD13 LEU 8 3HD1 LEU 8 -0.383 5.400 -5.378 57 HD21 LEU 8 3HD2 LEU 8 2.361 4.873 -7.971 58 HD22 LEU 8 1HD2 LEU 8 2.832 5.640 -6.454 59 HD23 LEU 8 2HD2 LEU 8 2.670 6.609 -7.919 60 H VAL 9 H VAL 9 -1.508 8.056 -6.248 61 HA VAL 9 HA VAL 9 -1.772 10.382 -8.020 62 HB VAL 9 HB VAL 9 -3.332 11.410 -6.337 63 HG11 VAL 9 1HG1 VAL 9 -5.099 10.764 -7.578 64 HG12 VAL 9 2HG1 VAL 9 -3.870 9.931 -8.531 65 HG13 VAL 9 3HG1 VAL 9 -4.792 9.048 -7.313 66 HG21 VAL 9 3HG2 VAL 9 -3.677 8.573 -5.379 67 HG22 VAL 9 1HG2 VAL 9 -2.771 9.811 -4.509 68 HG23 VAL 9 2HG2 VAL 9 -4.502 10.012 -4.780 69 H LEU 10 H LEU 10 -0.671 12.184 -7.384 70 HA LEU 10 HA LEU 10 0.992 11.896 -4.974 71 HB2 LEU 10 1HB LEU 10 2.243 12.031 -7.056 72 HB3 LEU 10 2HB LEU 10 1.435 13.544 -7.461 73 HG LEU 10 HG LEU 10 2.512 14.492 -5.352 74 HD11 LEU 10 1HD1 LEU 10 3.839 13.235 -4.092 75 HD12 LEU 10 2HD1 LEU 10 4.753 12.684 -5.495 76 HD13 LEU 10 3HD1 LEU 10 3.283 11.837 -5.013 77 HD21 LEU 10 3HD2 LEU 10 4.436 13.641 -7.503 78 HD22 LEU 10 1HD2 LEU 10 4.473 15.108 -6.525 79 HD23 LEU 10 2HD2 LEU 10 3.214 14.891 -7.742 80 H ALA 11 H ALA 11 0.925 13.392 -3.391 81 HA ALA 11 HA ALA 11 -1.196 15.348 -3.468 82 HB1 ALA 11 1HB ALA 11 0.773 14.576 -1.325 83 HB2 ALA 11 2HB ALA 11 -0.469 15.811 -1.119 84 HB3 ALA 11 3HB ALA 11 -0.932 14.139 -1.431 85 H LEU 12 H LEU 12 -1.009 17.480 -3.801 86 HA LEU 12 HA LEU 12 1.642 18.538 -4.416 87 HB2 LEU 12 1HB LEU 12 -1.109 19.690 -4.855 88 HB3 LEU 12 2HB LEU 12 0.398 20.458 -5.350 89 HG LEU 12 HG LEU 12 -0.798 17.912 -6.435 90 HD11 LEU 12 1HD1 LEU 12 -0.485 19.381 -8.572 91 HD12 LEU 12 2HD1 LEU 12 -0.509 20.713 -7.417 92 HD13 LEU 12 3HD1 LEU 12 -1.886 19.617 -7.526 93 HD21 LEU 12 3HD2 LEU 12 1.557 17.556 -6.331 94 HD22 LEU 12 1HD2 LEU 12 1.889 19.178 -6.939 95 HD23 LEU 12 2HD2 LEU 12 1.157 17.972 -7.998 96 H TYR 13 H TYR 13 -1.093 19.107 -2.266 97 HA TYR 13 HA TYR 13 0.573 21.019 -0.763 98 HB2 TYR 13 1HB TYR 13 -2.447 20.903 -0.889 99 HB3 TYR 13 2HB TYR 13 -1.491 22.078 0.008 100 HD1 TYR 13 HD1 TYR 13 -2.342 20.906 -3.401 101 HD2 TYR 13 HD2 TYR 13 -0.639 24.015 -1.048 102 HE1 TYR 13 HE1 TYR 13 -2.304 22.371 -5.375 103 HE2 TYR 13 HE2 TYR 13 -0.597 25.489 -3.016 104 HH TYR 13 HH TYR 13 -1.507 24.311 -6.214 105 H ASP 14 H ASP 14 -0.139 21.150 1.606 106 HA ASP 14 HA ASP 14 -0.045 18.456 2.676 107 HB2 ASP 14 1HB ASP 14 0.282 19.631 4.863 108 HB3 ASP 14 2HB ASP 14 1.483 20.044 3.642 109 H TYR 15 H TYR 15 -1.536 17.556 4.090 110 HA TYR 15 HA TYR 15 -3.993 19.015 4.659 111 HB2 TYR 15 1HB TYR 15 -4.345 17.891 2.462 112 HB3 TYR 15 2HB TYR 15 -4.041 16.343 3.242 113 HD1 TYR 15 HD2 TYR 15 -6.220 19.351 3.691 114 HD2 TYR 15 HD1 TYR 15 -5.874 15.116 3.910 115 HE1 TYR 15 HE2 TYR 15 -8.600 19.194 4.291 116 HE2 TYR 15 HE1 TYR 15 -8.253 14.947 4.510 117 HH TYR 15 HH TYR 15 -10.011 17.171 5.704 118 H GLN 16 H GLN 16 -5.330 17.970 6.261 119 HA GLN 16 HA GLN 16 -3.918 15.914 7.823 120 HB2 GLN 16 1HB GLN 16 -4.895 17.081 9.868 121 HB3 GLN 16 2HB GLN 16 -3.550 17.881 9.066 122 HG2 GLN 16 1HG GLN 16 -5.161 19.534 9.627 123 HG3 GLN 16 2HG GLN 16 -5.193 19.317 7.878 124 HE21 GLN 16 2HE2 GLN 16 -7.152 19.349 7.072 125 HE22 GLN 16 1HE2 GLN 16 -8.587 18.770 7.840 126 H GLU 17 H GLU 17 -5.241 14.511 9.067 127 HA GLU 17 HA GLU 17 -7.910 14.181 7.922 128 HB2 GLU 17 1HB GLU 17 -7.838 11.928 8.822 129 HB3 GLU 17 2HB GLU 17 -6.371 12.252 7.910 130 HG2 GLU 17 1HG GLU 17 -5.263 11.485 9.669 131 HG3 GLU 17 2HG GLU 17 -5.697 12.991 10.475 132 H LYS 18 H LYS 18 -9.704 14.651 9.007 133 HA LYS 18 HA LYS 18 -9.481 15.489 11.793 134 HB2 LYS 18 1HB LYS 18 -10.622 16.976 10.199 135 HB3 LYS 18 2HB LYS 18 -11.794 15.710 9.856 136 HG2 LYS 18 1HG LYS 18 -11.976 15.913 12.567 137 HG3 LYS 18 2HG LYS 18 -11.644 17.581 12.096 138 HD2 LYS 18 1HD LYS 18 -13.784 17.801 11.537 139 HD3 LYS 18 2HD LYS 18 -13.540 16.604 10.263 140 HE2 LYS 18 1HE LYS 18 -14.491 14.930 11.468 141 HE3 LYS 18 2HE LYS 18 -13.931 15.574 13.010 142 HZ1 LYS 18 3HZ LYS 18 -16.198 16.618 11.400 143 HZ2 LYS 18 1HZ LYS 18 -15.640 17.296 12.846 144 HZ3 LYS 18 2HZ LYS 18 -16.317 15.746 12.845 145 H SER 19 H SER 19 -10.948 13.008 9.816 146 HA SER 19 HA SER 19 -12.116 11.807 12.240 147 HB2 SER 19 1HB SER 19 -13.022 10.726 9.666 148 HB3 SER 19 2HB SER 19 -13.961 11.232 11.070 149 HG SER 19 HG SER 19 -14.032 12.487 8.940 150 HA PRO 20 HA PRO 20 -9.519 8.289 11.904 151 HB2 PRO 20 1HB PRO 20 -11.201 6.254 12.537 152 HB3 PRO 20 2HB PRO 20 -10.616 7.422 13.728 153 HG2 PRO 20 1HG PRO 20 -13.235 7.345 12.280 154 HG3 PRO 20 2HG PRO 20 -12.911 7.694 13.988 155 HD2 PRO 20 1HD PRO 20 -13.379 9.641 12.166 156 HD3 PRO 20 2HD PRO 20 -12.300 9.874 13.556 157 H ARG 21 H ARG 21 -12.138 8.702 9.795 158 HA ARG 21 HA ARG 21 -11.625 6.271 8.277 159 HB2 ARG 21 1HB ARG 21 -13.931 7.498 8.717 160 HB3 ARG 21 2HB ARG 21 -13.451 8.419 7.298 161 HG2 ARG 21 1HG ARG 21 -13.537 6.564 5.907 162 HG3 ARG 21 2HG ARG 21 -13.423 5.429 7.254 163 HD2 ARG 21 1HD ARG 21 -15.772 7.269 6.948 164 HD3 ARG 21 2HD ARG 21 -15.699 5.725 6.100 165 HE ARG 21 HE ARG 21 -15.161 5.159 8.740 166 HH11 ARG 21 1HH1 ARG 21 -17.779 6.581 6.940 167 HH12 ARG 21 2HH1 ARG 21 -19.002 6.049 8.047 168 HH21 ARG 21 1HH2 ARG 21 -16.761 4.453 10.205 169 HH22 ARG 21 2HH2 ARG 21 -18.421 4.840 9.904 170 H GLU 22 H GLU 22 -10.968 9.694 8.159 171 HA GLU 22 HA GLU 22 -10.058 9.655 5.423 172 HB2 GLU 22 1HB GLU 22 -9.843 11.759 7.582 173 HB3 GLU 22 2HB GLU 22 -9.314 11.987 5.921 174 HG2 GLU 22 1HG GLU 22 -11.650 11.512 5.191 175 HG3 GLU 22 2HG GLU 22 -12.120 11.513 6.890 176 H VAL 23 H VAL 23 -7.799 10.679 5.028 177 HA VAL 23 HA VAL 23 -5.829 9.469 6.849 178 HB VAL 23 HB VAL 23 -4.453 8.970 4.763 179 HG11 VAL 23 1HG1 VAL 23 -6.044 7.410 6.225 180 HG12 VAL 23 2HG1 VAL 23 -6.868 7.255 4.672 181 HG13 VAL 23 3HG1 VAL 23 -5.166 6.814 4.817 182 HG21 VAL 23 3HG2 VAL 23 -6.978 8.756 3.233 183 HG22 VAL 23 1HG2 VAL 23 -6.296 10.371 3.427 184 HG23 VAL 23 2HG2 VAL 23 -5.339 9.093 2.677 185 H THR 24 H THR 24 -3.865 10.538 7.041 186 HA THR 24 HA THR 24 -3.929 13.338 6.261 187 HB THR 24 HB THR 24 -1.979 11.836 8.019 188 HG1 THR 24 HG1 THR 24 -3.132 13.282 9.605 189 HG21 THR 24 3HG2 THR 24 -1.964 14.627 8.508 190 HG22 THR 24 1HG2 THR 24 -1.759 14.393 6.773 191 HG23 THR 24 2HG2 THR 24 -0.650 13.618 7.904 192 H MET 25 H MET 25 -2.871 14.131 4.569 193 HA MET 25 HA MET 25 -0.605 12.591 3.483 194 HB2 MET 25 1HB MET 25 -1.304 13.532 1.235 195 HB3 MET 25 2HB MET 25 -2.360 12.302 1.918 196 HG2 MET 25 1HG MET 25 -3.843 14.109 2.742 197 HG3 MET 25 2HG MET 25 -2.821 15.274 1.902 198 HE1 MET 25 3HE MET 25 -5.277 15.922 1.145 199 HE2 MET 25 1HE MET 25 -4.209 16.287 -0.210 200 HE3 MET 25 2HE MET 25 -5.751 15.481 -0.496 201 H LYS 26 H LYS 26 0.923 13.907 2.199 202 HA LYS 26 HA LYS 26 0.965 16.746 2.913 203 HB2 LYS 26 1HB LYS 26 3.214 16.672 3.729 204 HB3 LYS 26 2HB LYS 26 2.289 15.461 4.607 205 HG2 LYS 26 1HG LYS 26 3.186 13.808 2.853 206 HG3 LYS 26 2HG LYS 26 4.365 15.070 2.488 207 HD2 LYS 26 1HD LYS 26 5.424 13.703 4.074 208 HD3 LYS 26 2HD LYS 26 4.854 15.097 4.995 209 HE2 LYS 26 1HE LYS 26 3.050 13.878 5.906 210 HE3 LYS 26 2HE LYS 26 3.253 12.564 4.749 211 HZ1 LYS 26 3HZ LYS 26 4.275 11.648 6.535 212 HZ2 LYS 26 1HZ LYS 26 4.741 13.134 7.196 213 HZ3 LYS 26 2HZ LYS 26 5.610 12.473 5.904 214 H LYS 27 H LYS 27 2.302 18.042 1.561 215 HA LYS 27 HA LYS 27 2.202 17.482 -1.138 216 HB2 LYS 27 1HB LYS 27 4.022 19.271 -1.327 217 HB3 LYS 27 2HB LYS 27 2.521 19.733 -0.536 218 HG2 LYS 27 1HG LYS 27 4.496 18.692 1.326 219 HG3 LYS 27 2HG LYS 27 5.059 20.114 0.445 220 HD2 LYS 27 1HD LYS 27 2.408 19.963 1.873 221 HD3 LYS 27 2HD LYS 27 3.881 20.612 2.599 222 HE2 LYS 27 1HE LYS 27 2.624 21.635 0.056 223 HE3 LYS 27 2HE LYS 27 2.384 22.351 1.649 224 HZ1 LYS 27 3HZ LYS 27 5.029 22.308 1.550 225 HZ2 LYS 27 1HZ LYS 27 4.112 23.612 0.983 226 HZ3 LYS 27 2HZ LYS 27 4.703 22.458 -0.103 227 H GLY 28 H GLY 28 3.085 15.766 -2.105 228 HA2 GLY 28 1HA GLY 28 5.158 14.983 -3.140 229 HA3 GLY 28 2HA GLY 28 5.945 15.236 -1.589 230 H ASP 29 H ASP 29 3.014 14.027 -0.831 231 HA ASP 29 HA ASP 29 4.107 11.391 -0.344 232 HB2 ASP 29 1HB ASP 29 2.526 12.905 1.172 233 HB3 ASP 29 2HB ASP 29 1.269 12.045 0.287 234 H ILE 30 H ILE 30 3.095 9.430 -0.991 235 HA ILE 30 HA ILE 30 1.539 9.693 -3.480 236 HB ILE 30 HB ILE 30 3.417 7.464 -2.687 237 HG12 ILE 30 1HG1 ILE 30 3.697 9.561 -4.849 238 HG13 ILE 30 2HG1 ILE 30 4.536 9.599 -3.303 239 HG21 ILE 30 1HG2 ILE 30 2.423 6.219 -4.228 240 HG22 ILE 30 2HG2 ILE 30 1.258 7.509 -4.523 241 HG23 ILE 30 3HG2 ILE 30 2.759 7.448 -5.448 242 HD11 ILE 30 3HD1 ILE 30 6.142 8.700 -4.650 243 HD12 ILE 30 1HD1 ILE 30 5.367 7.233 -4.051 244 HD13 ILE 30 2HD1 ILE 30 4.976 7.845 -5.659 245 H LEU 31 H LEU 31 -0.412 8.775 -3.567 246 HA LEU 31 HA LEU 31 -1.112 6.771 -1.528 247 HB2 LEU 31 1HB LEU 31 -3.052 8.816 -2.558 248 HB3 LEU 31 2HB LEU 31 -3.219 7.756 -1.161 249 HG LEU 31 HG LEU 31 -1.145 9.927 -1.259 250 HD11 LEU 31 1HD1 LEU 31 -3.635 10.654 -1.610 251 HD12 LEU 31 2HD1 LEU 31 -2.599 11.516 -0.474 252 HD13 LEU 31 3HD1 LEU 31 -3.756 10.325 0.118 253 HD21 LEU 31 3HD2 LEU 31 -0.839 9.514 0.957 254 HD22 LEU 31 1HD2 LEU 31 -1.344 7.903 0.447 255 HD23 LEU 31 2HD2 LEU 31 -2.505 8.992 1.206 256 H THR 32 H THR 32 -2.756 5.269 -2.129 257 HA THR 32 HA THR 32 -2.772 4.739 -5.000 258 HB THR 32 HB THR 32 -3.795 2.976 -2.767 259 HG1 THR 32 HG1 THR 32 -1.437 3.542 -2.822 260 HG21 THR 32 3HG2 THR 32 -2.832 1.864 -5.328 261 HG22 THR 32 1HG2 THR 32 -4.351 2.755 -5.395 262 HG23 THR 32 2HG2 THR 32 -4.188 1.370 -4.316 263 H LEU 33 H LEU 33 -4.351 5.807 -6.034 264 HA LEU 33 HA LEU 33 -6.790 6.632 -4.946 265 HB2 LEU 33 1HB LEU 33 -5.524 7.195 -7.204 266 HB3 LEU 33 2HB LEU 33 -6.633 5.983 -7.842 267 HG LEU 33 HG LEU 33 -7.635 8.083 -8.240 268 HD11 LEU 33 1HD1 LEU 33 -9.187 6.409 -7.428 269 HD12 LEU 33 2HD1 LEU 33 -9.663 8.007 -6.857 270 HD13 LEU 33 3HD1 LEU 33 -8.862 6.883 -5.761 271 HD21 LEU 33 3HD2 LEU 33 -6.955 9.828 -7.042 272 HD22 LEU 33 1HD2 LEU 33 -6.369 8.790 -5.742 273 HD23 LEU 33 2HD2 LEU 33 -8.058 9.297 -5.772 274 H LEU 34 H LEU 34 -8.176 5.246 -4.032 275 HA LEU 34 HA LEU 34 -8.659 2.638 -5.231 276 HB2 LEU 34 1HB LEU 34 -8.521 3.453 -2.651 277 HB3 LEU 34 2HB LEU 34 -10.263 3.481 -2.913 278 HG LEU 34 HG LEU 34 -10.203 1.115 -3.548 279 HD11 LEU 34 1HD1 LEU 34 -8.070 -0.138 -3.021 280 HD12 LEU 34 2HD1 LEU 34 -7.258 1.427 -3.036 281 HD13 LEU 34 3HD1 LEU 34 -8.060 0.837 -4.491 282 HD21 LEU 34 3HD2 LEU 34 -9.177 0.354 -1.208 283 HD22 LEU 34 1HD2 LEU 34 -10.728 1.182 -1.342 284 HD23 LEU 34 2HD2 LEU 34 -9.279 2.089 -0.908 285 H ASN 35 H ASN 35 -10.440 5.602 -4.456 286 HA ASN 35 HA ASN 35 -12.380 4.913 -6.531 287 HB2 ASN 35 1HB ASN 35 -12.997 4.521 -3.869 288 HB3 ASN 35 2HB ASN 35 -13.657 6.122 -4.191 289 HD21 ASN 35 2HD2 ASN 35 -14.381 5.820 -6.846 290 HD22 ASN 35 1HD2 ASN 35 -15.678 4.684 -6.947 291 H SER 36 H SER 36 -12.553 6.572 -7.872 292 HA SER 36 HA SER 36 -12.116 9.288 -6.813 293 HB2 SER 36 1HB SER 36 -11.597 9.565 -9.469 294 HB3 SER 36 2HB SER 36 -10.360 9.250 -8.252 295 HG SER 36 HG SER 36 -11.741 7.228 -9.686 296 H THR 37 H THR 37 -14.609 7.666 -7.163 297 HA THR 37 HA THR 37 -16.142 8.465 -9.327 298 HB THR 37 HB THR 37 -16.880 6.777 -7.687 299 HG1 THR 37 HG1 THR 37 -18.780 8.888 -7.781 300 HG21 THR 37 3HG2 THR 37 -17.430 9.151 -5.902 301 HG22 THR 37 1HG2 THR 37 -16.179 7.936 -5.641 302 HG23 THR 37 2HG2 THR 37 -17.881 7.479 -5.569 303 H ASN 38 H ASN 38 -15.323 10.213 -6.402 304 HA ASN 38 HA ASN 38 -17.107 12.411 -7.108 305 HB2 ASN 38 1HB ASN 38 -16.425 11.390 -4.687 306 HB3 ASN 38 2HB ASN 38 -15.272 12.716 -4.811 307 HD21 ASN 38 2HD2 ASN 38 -17.156 12.734 -2.859 308 HD22 ASN 38 1HD2 ASN 38 -18.327 13.965 -3.175 309 H LYS 39 H LYS 39 -16.115 14.669 -6.785 310 HA LYS 39 HA LYS 39 -13.564 14.759 -8.255 311 HB2 LYS 39 1HB LYS 39 -15.924 16.637 -8.255 312 HB3 LYS 39 2HB LYS 39 -14.359 17.082 -8.926 313 HG2 LYS 39 1HG LYS 39 -14.518 15.156 -10.468 314 HG3 LYS 39 2HG LYS 39 -16.136 14.831 -9.842 315 HD2 LYS 39 1HD LYS 39 -15.490 17.558 -10.867 316 HD3 LYS 39 2HD LYS 39 -15.803 16.258 -12.019 317 HE2 LYS 39 1HE LYS 39 -17.897 15.849 -10.477 318 HE3 LYS 39 2HE LYS 39 -17.633 17.538 -10.044 319 HZ1 LYS 39 3HZ LYS 39 -18.360 16.389 -12.655 320 HZ2 LYS 39 1HZ LYS 39 -17.555 17.876 -12.586 321 HZ3 LYS 39 2HZ LYS 39 -19.056 17.691 -11.829 322 H ASP 40 H ASP 40 -15.278 15.803 -5.436 323 HA ASP 40 HA ASP 40 -13.158 17.672 -4.692 324 HB2 ASP 40 1HB ASP 40 -15.712 17.004 -3.215 325 HB3 ASP 40 2HB ASP 40 -14.614 18.336 -2.864 326 H TRP 41 H TRP 41 -14.827 14.843 -3.313 327 HA TRP 41 HA TRP 41 -12.532 14.435 -1.527 328 HB2 TRP 41 1HB TRP 41 -15.367 13.400 -1.431 329 HB3 TRP 41 2HB TRP 41 -14.094 12.821 -0.360 330 HD1 TRP 41 HD1 TRP 41 -16.695 15.435 -0.605 331 HE1 TRP 41 HE1 TRP 41 -16.406 17.176 1.268 332 HE3 TRP 41 HE3 TRP 41 -12.021 14.130 1.000 333 HZ2 TRP 41 HZ2 TRP 41 -14.454 17.900 3.175 334 HZ3 TRP 41 HZ3 TRP 41 -11.014 15.397 2.853 335 HH2 TRP 41 HH2 TRP 41 -12.206 17.243 3.916 336 H TRP 42 H TRP 42 -11.034 13.142 -2.371 337 HA TRP 42 HA TRP 42 -11.861 10.925 -4.100 338 HB2 TRP 42 1HB TRP 42 -9.348 12.498 -3.773 339 HB3 TRP 42 2HB TRP 42 -9.214 10.830 -4.324 340 HD1 TRP 42 HD1 TRP 42 -12.352 12.312 -5.599 341 HE1 TRP 42 HE1 TRP 42 -12.087 13.000 -8.065 342 HE3 TRP 42 HE3 TRP 42 -7.269 11.941 -6.003 343 HZ2 TRP 42 HZ2 TRP 42 -10.000 13.340 -9.934 344 HZ3 TRP 42 HZ3 TRP 42 -6.217 12.465 -8.165 345 HH2 TRP 42 HH2 TRP 42 -7.556 13.149 -10.089 346 H LYS 43 H LYS 43 -11.563 8.828 -3.566 347 HA LYS 43 HA LYS 43 -10.723 8.269 -0.826 348 HB2 LYS 43 1HB LYS 43 -11.901 6.326 -2.811 349 HB3 LYS 43 2HB LYS 43 -11.819 6.158 -1.062 350 HG2 LYS 43 1HG LYS 43 -13.328 8.173 -0.917 351 HG3 LYS 43 2HG LYS 43 -13.556 8.016 -2.660 352 HD2 LYS 43 1HD LYS 43 -15.368 6.902 -1.536 353 HD3 LYS 43 2HD LYS 43 -14.336 5.686 -2.294 354 HE2 LYS 43 1HE LYS 43 -13.519 4.931 -0.280 355 HE3 LYS 43 2HE LYS 43 -13.820 6.463 0.538 356 HZ1 LYS 43 3HZ LYS 43 -16.259 5.916 0.242 357 HZ2 LYS 43 1HZ LYS 43 -15.409 4.987 1.373 358 HZ3 LYS 43 2HZ LYS 43 -15.767 4.346 -0.151 359 H VAL 44 H VAL 44 -8.625 7.895 -0.545 360 HA VAL 44 HA VAL 44 -7.236 6.200 -2.519 361 HB VAL 44 HB VAL 44 -5.128 7.392 -1.607 362 HG11 VAL 44 1HG1 VAL 44 -5.665 9.393 -3.191 363 HG12 VAL 44 2HG1 VAL 44 -5.559 7.756 -3.843 364 HG13 VAL 44 3HG1 VAL 44 -7.136 8.481 -3.530 365 HG21 VAL 44 3HG2 VAL 44 -5.510 9.705 -0.882 366 HG22 VAL 44 1HG2 VAL 44 -7.249 9.411 -0.882 367 HG23 VAL 44 2HG2 VAL 44 -6.208 8.543 0.247 368 H GLU 45 H GLU 45 -5.465 4.904 -1.653 369 HA GLU 45 HA GLU 45 -5.999 4.082 1.123 370 HB2 GLU 45 1HB GLU 45 -6.523 2.341 -0.496 371 HB3 GLU 45 2HB GLU 45 -4.916 2.474 -1.195 372 HG2 GLU 45 1HG GLU 45 -5.236 1.798 1.694 373 HG3 GLU 45 2HG GLU 45 -5.451 0.557 0.461 374 H VAL 46 H VAL 46 -4.338 3.875 2.559 375 HA VAL 46 HA VAL 46 -1.647 4.599 1.596 376 HB VAL 46 HB VAL 46 -1.235 5.835 3.627 377 HG11 VAL 46 1HG1 VAL 46 -3.901 6.888 2.823 378 HG12 VAL 46 2HG1 VAL 46 -2.373 7.740 3.059 379 HG13 VAL 46 3HG1 VAL 46 -2.632 6.775 1.605 380 HG21 VAL 46 3HG2 VAL 46 -2.991 6.205 5.297 381 HG22 VAL 46 1HG2 VAL 46 -4.054 5.107 4.417 382 HG23 VAL 46 2HG2 VAL 46 -2.576 4.497 5.161 383 H LYS 47 H LYS 47 0.068 4.011 3.271 384 HA LYS 47 HA LYS 47 -0.569 1.369 4.414 385 HB2 LYS 47 1HB LYS 47 1.083 1.653 2.375 386 HB3 LYS 47 2HB LYS 47 2.221 2.107 3.636 387 HG2 LYS 47 1HG LYS 47 2.539 -0.192 3.278 388 HG3 LYS 47 2HG LYS 47 1.623 -0.065 4.781 389 HD2 LYS 47 1HD LYS 47 -0.322 -0.856 3.814 390 HD3 LYS 47 2HD LYS 47 0.172 -0.383 2.187 391 HE2 LYS 47 1HE LYS 47 2.081 -2.171 2.682 392 HE3 LYS 47 2HE LYS 47 0.838 -2.814 3.753 393 HZ1 LYS 47 3HZ LYS 47 -0.297 -3.604 2.032 394 HZ2 LYS 47 1HZ LYS 47 1.052 -3.269 1.068 395 HZ3 LYS 47 2HZ LYS 47 -0.206 -2.145 1.182 396 H ILE 48 H ILE 48 -0.383 1.220 6.545 397 HA ILE 48 HA ILE 48 1.360 3.147 7.938 398 HB ILE 48 HB ILE 48 -1.151 1.891 9.047 399 HG12 ILE 48 1HG1 ILE 48 -1.643 4.575 8.896 400 HG13 ILE 48 2HG1 ILE 48 -0.703 4.313 7.430 401 HG21 ILE 48 1HG2 ILE 48 1.009 2.998 10.360 402 HG22 ILE 48 2HG2 ILE 48 -0.159 4.317 10.297 403 HG23 ILE 48 3HG2 ILE 48 -0.610 2.774 11.022 404 HD11 ILE 48 3HD1 ILE 48 -3.259 4.126 7.318 405 HD12 ILE 48 1HD1 ILE 48 -2.287 2.888 6.524 406 HD13 ILE 48 2HD1 ILE 48 -3.030 2.557 8.089 407 H THR 49 H THR 49 3.086 2.195 8.771 408 HA THR 49 HA THR 49 3.045 -0.656 9.369 409 HB THR 49 HB THR 49 5.334 1.321 9.416 410 HG1 THR 49 HG1 THR 49 5.490 0.858 7.362 411 HG21 THR 49 3HG2 THR 49 5.307 -1.680 9.746 412 HG22 THR 49 1HG2 THR 49 5.777 -0.489 10.958 413 HG23 THR 49 2HG2 THR 49 6.759 -0.708 9.509 414 H VAL 50 H VAL 50 2.252 -1.177 11.309 415 HA VAL 50 HA VAL 50 3.156 0.390 13.639 416 HB VAL 50 HB VAL 50 0.533 -1.077 13.317 417 HG11 VAL 50 1HG1 VAL 50 1.730 0.419 15.639 418 HG12 VAL 50 2HG1 VAL 50 0.009 0.048 15.511 419 HG13 VAL 50 3HG1 VAL 50 1.191 -1.259 15.589 420 HG21 VAL 50 3HG2 VAL 50 -0.233 0.808 12.424 421 HG22 VAL 50 1HG2 VAL 50 0.155 1.646 13.927 422 HG23 VAL 50 2HG2 VAL 50 1.340 1.580 12.622 423 H ASN 51 H ASN 51 4.354 -0.685 15.058 424 HA ASN 51 HA ASN 51 5.464 -2.379 16.099 425 HB2 ASN 51 1HB ASN 51 2.898 -3.939 15.756 426 HB3 ASN 51 2HB ASN 51 4.118 -4.146 17.009 427 HD21 ASN 51 2HD2 ASN 51 1.326 -3.689 17.380 428 HD22 ASN 51 1HD2 ASN 51 1.161 -2.201 18.243 429 H GLY 52 H GLY 52 5.972 -2.238 13.377 430 HA2 GLY 52 1HA GLY 52 7.045 -3.463 11.756 431 HA3 GLY 52 2HA GLY 52 7.061 -4.809 12.887 432 H LYS 53 H LYS 53 3.995 -3.447 12.177 433 HA LYS 53 HA LYS 53 3.433 -5.659 10.312 434 HB2 LYS 53 1HB LYS 53 1.593 -4.522 12.426 435 HB3 LYS 53 2HB LYS 53 1.167 -5.779 11.272 436 HG2 LYS 53 1HG LYS 53 3.332 -6.013 13.352 437 HG3 LYS 53 2HG LYS 53 1.697 -6.658 13.509 438 HD2 LYS 53 1HD LYS 53 2.040 -8.150 11.666 439 HD3 LYS 53 2HD LYS 53 3.592 -7.400 11.284 440 HE2 LYS 53 1HE LYS 53 4.084 -9.416 12.424 441 HE3 LYS 53 2HE LYS 53 4.364 -8.111 13.577 442 HZ1 LYS 53 3HZ LYS 53 2.988 -9.152 14.944 443 HZ2 LYS 53 1HZ LYS 53 2.584 -10.301 13.770 444 HZ3 LYS 53 2HZ LYS 53 1.717 -8.852 13.870 445 H THR 54 H THR 54 3.006 -4.900 8.356 446 HA THR 54 HA THR 54 2.277 -2.176 7.884 447 HB THR 54 HB THR 54 1.804 -3.388 5.492 448 HG1 THR 54 HG1 THR 54 2.358 -5.441 5.984 449 HG21 THR 54 3HG2 THR 54 3.348 -1.518 5.947 450 HG22 THR 54 1HG2 THR 54 4.065 -2.729 4.884 451 HG23 THR 54 2HG2 THR 54 4.526 -2.664 6.586 452 H TYR 55 H TYR 55 0.311 -1.317 7.842 453 HA TYR 55 HA TYR 55 -2.000 -3.126 7.572 454 HB2 TYR 55 1HB TYR 55 -1.686 -0.568 9.144 455 HB3 TYR 55 2HB TYR 55 -3.250 -1.311 8.827 456 HD1 TYR 55 HD2 TYR 55 -3.831 -3.469 9.851 457 HD2 TYR 55 HD1 TYR 55 -0.163 -1.509 10.750 458 HE1 TYR 55 HE2 TYR 55 -3.550 -4.912 11.822 459 HE2 TYR 55 HE1 TYR 55 0.129 -2.948 12.723 460 HH TYR 55 HH TYR 55 -1.466 -4.279 14.283 461 H GLU 56 H GLU 56 -3.787 -2.429 6.350 462 HA GLU 56 HA GLU 56 -3.213 -0.200 4.509 463 HB2 GLU 56 1HB GLU 56 -4.361 -2.923 3.993 464 HB3 GLU 56 2HB GLU 56 -4.768 -1.578 2.936 465 HG2 GLU 56 1HG GLU 56 -2.204 -1.245 2.788 466 HG3 GLU 56 2HG GLU 56 -2.132 -2.907 3.371 467 H ARG 57 H ARG 57 -4.895 1.161 3.941 468 HA ARG 57 HA ARG 57 -7.598 0.704 4.712 469 HB2 ARG 57 1HB ARG 57 -7.841 2.304 6.464 470 HB3 ARG 57 2HB ARG 57 -6.511 1.245 6.916 471 HG2 ARG 57 1HG ARG 57 -4.907 2.930 6.200 472 HG3 ARG 57 2HG ARG 57 -6.230 3.989 5.706 473 HD2 ARG 57 1HD ARG 57 -7.047 3.807 8.115 474 HD3 ARG 57 2HD ARG 57 -5.467 3.114 8.478 475 HE ARG 57 HE ARG 57 -4.974 5.467 7.130 476 HH11 ARG 57 1HH1 ARG 57 -6.575 4.512 10.070 477 HH12 ARG 57 2HH1 ARG 57 -6.233 5.998 10.893 478 HH21 ARG 57 1HH2 ARG 57 -4.518 7.428 8.202 479 HH22 ARG 57 2HH2 ARG 57 -5.064 7.657 9.829 480 H GLN 58 H GLN 58 -9.013 2.240 3.859 481 HA GLN 58 HA GLN 58 -7.747 4.171 2.035 482 HB2 GLN 58 1HB GLN 58 -9.572 3.915 0.558 483 HB3 GLN 58 2HB GLN 58 -9.158 2.287 1.077 484 HG2 GLN 58 1HG GLN 58 -11.000 2.290 2.650 485 HG3 GLN 58 2HG GLN 58 -11.395 3.951 2.210 486 HE21 GLN 58 2HE2 GLN 58 -11.216 3.925 -0.485 487 HE22 GLN 58 1HE2 GLN 58 -12.391 2.852 -1.158 488 H GLY 59 H GLY 59 -8.266 6.293 2.129 489 HA2 GLY 59 1HA GLY 59 -10.484 7.097 3.891 490 HA3 GLY 59 2HA GLY 59 -8.884 7.781 4.140 491 H PHE 60 H PHE 60 -11.159 9.331 3.620 492 HA PHE 60 HA PHE 60 -11.080 10.088 0.823 493 HB2 PHE 60 1HB PHE 60 -12.571 11.397 3.106 494 HB3 PHE 60 2HB PHE 60 -12.844 11.658 1.387 495 HD1 PHE 60 HD2 PHE 60 -13.115 9.184 4.113 496 HD2 PHE 60 HD1 PHE 60 -14.224 10.216 0.135 497 HE1 PHE 60 HE2 PHE 60 -14.768 7.362 4.105 498 HE2 PHE 60 HE1 PHE 60 -15.880 8.396 0.122 499 HZ PHE 60 HZ PHE 60 -16.153 6.966 2.108 500 H VAL 61 H VAL 61 -10.302 12.012 0.003 501 HA VAL 61 HA VAL 61 -9.040 13.932 1.784 502 HB VAL 61 HB VAL 61 -6.922 13.854 0.361 503 HG11 VAL 61 1HG1 VAL 61 -7.349 11.401 2.045 504 HG12 VAL 61 2HG1 VAL 61 -5.872 12.342 1.833 505 HG13 VAL 61 3HG1 VAL 61 -7.227 13.017 2.739 506 HG21 VAL 61 3HG2 VAL 61 -7.729 12.463 -1.443 507 HG22 VAL 61 1HG2 VAL 61 -6.399 11.646 -0.622 508 HG23 VAL 61 2HG2 VAL 61 -8.063 11.145 -0.321 509 HA PRO 62 HA PRO 62 -10.285 16.819 -1.280 510 HB2 PRO 62 1HB PRO 62 -8.379 18.734 -1.018 511 HB3 PRO 62 2HB PRO 62 -9.647 18.471 0.184 512 HG2 PRO 62 1HG PRO 62 -6.802 17.541 0.200 513 HG3 PRO 62 2HG PRO 62 -7.763 18.225 1.524 514 HD2 PRO 62 1HD PRO 62 -7.325 15.566 1.263 515 HD3 PRO 62 2HD PRO 62 -8.821 16.224 1.957 516 H ALA 63 H ALA 63 -10.106 16.133 -3.342 517 HA ALA 63 HA ALA 63 -7.745 15.312 -4.614 518 HB1 ALA 63 1HB ALA 63 -9.001 15.165 -6.588 519 HB2 ALA 63 2HB ALA 63 -10.161 14.859 -5.295 520 HB3 ALA 63 3HB ALA 63 -10.111 16.438 -6.079 521 H ALA 64 H ALA 64 -9.189 18.461 -4.209 522 HA ALA 64 HA ALA 64 -7.790 19.831 -6.240 523 HB1 ALA 64 1HB ALA 64 -9.794 20.695 -5.047 524 HB2 ALA 64 2HB ALA 64 -8.777 20.978 -3.634 525 HB3 ALA 64 3HB ALA 64 -8.464 21.849 -5.135 526 H TYR 65 H TYR 65 -6.728 18.476 -3.319 527 HA TYR 65 HA TYR 65 -4.395 20.248 -3.171 528 HB2 TYR 65 1HB TYR 65 -5.741 18.406 -1.245 529 HB3 TYR 65 2HB TYR 65 -4.017 18.703 -1.050 530 HD1 TYR 65 HD2 TYR 65 -6.620 21.096 -2.195 531 HD2 TYR 65 HD1 TYR 65 -3.940 19.979 0.915 532 HE1 TYR 65 HE2 TYR 65 -7.120 23.197 -1.019 533 HE2 TYR 65 HE1 TYR 65 -4.433 22.077 2.101 534 HH TYR 65 HH TYR 65 -6.111 23.774 2.219 535 H VAL 66 H VAL 66 -5.310 17.406 -4.602 536 HA VAL 66 HA VAL 66 -2.513 16.511 -4.781 537 HB VAL 66 HB VAL 66 -3.180 14.188 -4.758 538 HG11 VAL 66 1HG1 VAL 66 -3.234 14.027 -2.512 539 HG12 VAL 66 2HG1 VAL 66 -3.043 15.780 -2.580 540 HG13 VAL 66 3HG1 VAL 66 -4.645 15.074 -2.364 541 HG21 VAL 66 3HG2 VAL 66 -5.245 13.575 -5.298 542 HG22 VAL 66 1HG2 VAL 66 -5.846 14.300 -3.807 543 HG23 VAL 66 2HG2 VAL 66 -5.764 15.260 -5.284 544 H LYS 67 H LYS 67 -2.527 14.659 -6.618 545 HA LYS 67 HA LYS 67 -4.258 15.312 -8.841 546 HB2 LYS 67 1HB LYS 67 -1.322 15.989 -8.841 547 HB3 LYS 67 2HB LYS 67 -2.215 15.721 -10.332 548 HG2 LYS 67 1HG LYS 67 -3.824 17.514 -9.474 549 HG3 LYS 67 2HG LYS 67 -2.555 17.907 -8.312 550 HD2 LYS 67 1HD LYS 67 -2.062 19.348 -10.045 551 HD3 LYS 67 2HD LYS 67 -1.029 17.969 -10.428 552 HE2 LYS 67 1HE LYS 67 -3.007 17.151 -11.851 553 HE3 LYS 67 2HE LYS 67 -3.616 18.798 -11.702 554 HZ1 LYS 67 3HZ LYS 67 -2.015 18.038 -13.656 555 HZ2 LYS 67 1HZ LYS 67 -0.840 18.500 -12.530 556 HZ3 LYS 67 2HZ LYS 67 -2.007 19.613 -13.039 557 H LYS 68 H LYS 68 -3.754 13.937 -10.765 558 HA LYS 68 HA LYS 68 -3.184 11.246 -9.869 559 HB2 LYS 68 1HB LYS 68 -5.019 12.113 -11.563 560 HB3 LYS 68 2HB LYS 68 -3.721 11.909 -12.732 561 HG2 LYS 68 1HG LYS 68 -4.620 9.846 -12.889 562 HG3 LYS 68 2HG LYS 68 -3.554 9.542 -11.514 563 HD2 LYS 68 1HD LYS 68 -5.283 9.500 -10.010 564 HD3 LYS 68 2HD LYS 68 -6.294 10.576 -10.978 565 HE2 LYS 68 1HE LYS 68 -5.631 7.762 -11.814 566 HE3 LYS 68 2HE LYS 68 -7.038 8.158 -10.829 567 HZ1 LYS 68 3HZ LYS 68 -7.455 9.856 -12.755 568 HZ2 LYS 68 1HZ LYS 68 -7.935 8.241 -12.908 569 HZ3 LYS 68 2HZ LYS 68 -6.509 8.772 -13.645 570 H LEU 69 H LEU 69 -1.515 9.942 -10.544 571 HA LEU 69 HA LEU 69 0.923 11.221 -11.231 572 HB2 LEU 69 1HB LEU 69 0.803 9.203 -9.844 573 HB3 LEU 69 2HB LEU 69 0.221 8.289 -11.233 574 HG LEU 69 HG LEU 69 2.483 9.050 -12.308 575 HD11 LEU 69 1HD1 LEU 69 2.741 10.230 -9.807 576 HD12 LEU 69 2HD1 LEU 69 4.014 9.994 -11.004 577 HD13 LEU 69 3HD1 LEU 69 3.766 8.797 -9.733 578 HD21 LEU 69 3HD2 LEU 69 2.434 6.940 -10.154 579 HD22 LEU 69 1HD2 LEU 69 3.504 7.006 -11.555 580 HD23 LEU 69 2HD2 LEU 69 1.776 6.735 -11.778 581 H ASP 70 H ASP 70 -1.252 9.056 -13.020 582 HA ASP 70 HA ASP 70 0.097 9.899 -15.502 583 HB2 ASP 70 1HB ASP 70 -0.433 7.771 -16.480 584 HB3 ASP 70 2HB ASP 70 0.334 7.469 -14.923 Start of MODEL 2 1 H1 MET 1 H MET 1 4.534 -5.873 -7.921 2 HA MET 1 HA MET 1 3.139 -8.039 -6.503 3 HB2 MET 1 1HB MET 1 4.289 -6.132 -5.226 4 HB3 MET 1 2HB MET 1 2.983 -5.111 -5.814 5 HG2 MET 1 1HG MET 1 2.257 -5.753 -3.716 6 HG3 MET 1 2HG MET 1 1.420 -6.869 -4.793 7 HE1 MET 1 3HE MET 1 5.272 -7.583 -2.636 8 HE2 MET 1 1HE MET 1 4.338 -6.091 -2.747 9 HE3 MET 1 2HE MET 1 4.023 -7.233 -1.441 10 H ASP 2 H ASP 2 2.656 -5.142 -8.454 11 HA ASP 2 HA ASP 2 0.855 -4.333 -9.589 12 HB2 ASP 2 1HB ASP 2 -0.262 -7.119 -9.680 13 HB3 ASP 2 2HB ASP 2 -0.293 -5.871 -10.923 14 H GLU 3 H GLU 3 0.628 -4.167 -6.811 15 HA GLU 3 HA GLU 3 -2.230 -4.712 -6.353 16 HB2 GLU 3 1HB GLU 3 -0.307 -5.626 -4.802 17 HB3 GLU 3 2HB GLU 3 -0.357 -4.001 -4.133 18 HG2 GLU 3 1HG GLU 3 -2.879 -5.569 -4.408 19 HG3 GLU 3 2HG GLU 3 -1.778 -5.893 -3.070 20 H THR 4 H THR 4 0.220 -2.269 -6.516 21 HA THR 4 HA THR 4 -1.843 -0.221 -6.072 22 HB THR 4 HB THR 4 -0.385 1.167 -4.809 23 HG1 THR 4 HG1 THR 4 1.746 0.930 -4.797 24 HG21 THR 4 3HG2 THR 4 -1.434 -0.553 -3.469 25 HG22 THR 4 1HG2 THR 4 0.195 -0.256 -2.863 26 HG23 THR 4 2HG2 THR 4 -0.134 -1.684 -3.845 27 H GLY 5 H GLY 5 -0.438 -1.493 -8.451 28 HA2 GLY 5 1HA GLY 5 0.793 0.934 -9.584 29 HA3 GLY 5 2HA GLY 5 1.058 -0.701 -10.171 30 H LYS 6 H LYS 6 -1.999 0.910 -9.391 31 HA LYS 6 HA LYS 6 -2.822 0.483 -12.188 32 HB2 LYS 6 1HB LYS 6 -4.289 0.274 -9.592 33 HB3 LYS 6 2HB LYS 6 -5.183 0.731 -11.036 34 HG2 LYS 6 1HG LYS 6 -5.459 -1.535 -11.063 35 HG3 LYS 6 2HG LYS 6 -4.009 -1.376 -12.057 36 HD2 LYS 6 1HD LYS 6 -3.433 -3.079 -10.592 37 HD3 LYS 6 2HD LYS 6 -2.740 -1.655 -9.814 38 HE2 LYS 6 1HE LYS 6 -4.449 -1.566 -8.209 39 HE3 LYS 6 2HE LYS 6 -5.496 -2.636 -9.140 40 HZ1 LYS 6 3HZ LYS 6 -2.908 -3.632 -8.164 41 HZ2 LYS 6 1HZ LYS 6 -4.329 -4.488 -8.497 42 HZ3 LYS 6 2HZ LYS 6 -4.218 -3.543 -7.098 43 H GLU 7 H GLU 7 -3.940 2.537 -9.495 44 HA GLU 7 HA GLU 7 -3.606 4.883 -11.229 45 HB2 GLU 7 1HB GLU 7 -6.105 3.901 -9.937 46 HB3 GLU 7 2HB GLU 7 -5.835 5.637 -9.992 47 HG2 GLU 7 1HG GLU 7 -5.702 3.885 -12.427 48 HG3 GLU 7 2HG GLU 7 -7.185 4.662 -11.875 49 H LEU 8 H LEU 8 -1.821 5.561 -10.058 50 HA LEU 8 HA LEU 8 -2.148 6.019 -7.189 51 HB2 LEU 8 1HB LEU 8 0.204 6.021 -9.046 52 HB3 LEU 8 2HB LEU 8 0.311 6.746 -7.443 53 HG LEU 8 HG LEU 8 -0.577 3.903 -7.779 54 HD11 LEU 8 1HD1 LEU 8 2.112 3.846 -7.074 55 HD12 LEU 8 2HD1 LEU 8 2.023 4.973 -8.427 56 HD13 LEU 8 3HD1 LEU 8 1.403 3.332 -8.606 57 HD21 LEU 8 3HD2 LEU 8 -0.918 4.763 -5.600 58 HD22 LEU 8 1HD2 LEU 8 0.669 5.531 -5.577 59 HD23 LEU 8 2HD2 LEU 8 0.540 3.773 -5.521 60 H VAL 9 H VAL 9 -1.848 8.053 -6.234 61 HA VAL 9 HA VAL 9 -1.918 10.352 -8.072 62 HB VAL 9 HB VAL 9 -3.479 11.457 -6.416 63 HG11 VAL 9 1HG1 VAL 9 -5.305 10.814 -7.628 64 HG12 VAL 9 2HG1 VAL 9 -4.026 10.167 -8.658 65 HG13 VAL 9 3HG1 VAL 9 -4.892 9.101 -7.550 66 HG21 VAL 9 3HG2 VAL 9 -2.936 9.439 -4.766 67 HG22 VAL 9 1HG2 VAL 9 -4.460 10.324 -4.706 68 HG23 VAL 9 2HG2 VAL 9 -4.375 8.771 -5.537 69 H LEU 10 H LEU 10 -0.841 12.178 -7.412 70 HA LEU 10 HA LEU 10 0.822 11.866 -5.007 71 HB2 LEU 10 1HB LEU 10 1.733 12.214 -7.448 72 HB3 LEU 10 2HB LEU 10 1.380 13.907 -7.107 73 HG LEU 10 HG LEU 10 3.043 12.373 -5.166 74 HD11 LEU 10 1HD1 LEU 10 4.122 13.552 -7.721 75 HD12 LEU 10 2HD1 LEU 10 3.970 11.828 -7.385 76 HD13 LEU 10 3HD1 LEU 10 5.057 12.822 -6.416 77 HD21 LEU 10 3HD2 LEU 10 3.445 14.400 -4.343 78 HD22 LEU 10 1HD2 LEU 10 2.185 15.000 -5.422 79 HD23 LEU 10 2HD2 LEU 10 3.873 15.037 -5.932 80 H ALA 11 H ALA 11 0.904 13.440 -3.457 81 HA ALA 11 HA ALA 11 -1.301 15.320 -3.429 82 HB1 ALA 11 1HB ALA 11 0.733 14.491 -1.379 83 HB2 ALA 11 2HB ALA 11 -0.402 15.813 -1.105 84 HB3 ALA 11 3HB ALA 11 -1.003 14.180 -1.393 85 H LEU 12 H LEU 12 -1.165 17.415 -3.905 86 HA LEU 12 HA LEU 12 1.425 18.539 -4.592 87 HB2 LEU 12 1HB LEU 12 -1.330 19.743 -4.814 88 HB3 LEU 12 2HB LEU 12 0.152 20.403 -5.503 89 HG LEU 12 HG LEU 12 -0.724 17.673 -6.324 90 HD11 LEU 12 1HD1 LEU 12 -1.755 19.561 -8.170 91 HD12 LEU 12 2HD1 LEU 12 -2.387 19.959 -6.573 92 HD13 LEU 12 3HD1 LEU 12 -2.626 18.343 -7.238 93 HD21 LEU 12 3HD2 LEU 12 1.397 19.226 -6.978 94 HD22 LEU 12 1HD2 LEU 12 0.256 19.664 -8.250 95 HD23 LEU 12 2HD2 LEU 12 0.717 17.977 -8.023 96 H TYR 13 H TYR 13 -1.154 19.011 -2.245 97 HA TYR 13 HA TYR 13 0.584 20.920 -0.823 98 HB2 TYR 13 1HB TYR 13 -2.439 20.852 -0.776 99 HB3 TYR 13 2HB TYR 13 -1.406 22.027 0.030 100 HD1 TYR 13 HD2 TYR 13 -2.513 20.810 -3.287 101 HD2 TYR 13 HD1 TYR 13 -0.599 23.930 -1.119 102 HE1 TYR 13 HE2 TYR 13 -2.589 22.239 -5.287 103 HE2 TYR 13 HE1 TYR 13 -0.672 25.369 -3.112 104 HH TYR 13 HH TYR 13 -2.262 24.301 -6.091 105 H ASP 14 H ASP 14 -0.122 21.054 1.583 106 HA ASP 14 HA ASP 14 0.007 18.338 2.619 107 HB2 ASP 14 1HB ASP 14 0.365 19.566 4.825 108 HB3 ASP 14 2HB ASP 14 1.609 19.781 3.597 109 H TYR 15 H TYR 15 -1.436 17.463 4.104 110 HA TYR 15 HA TYR 15 -3.862 18.966 4.724 111 HB2 TYR 15 1HB TYR 15 -4.350 17.778 2.622 112 HB3 TYR 15 2HB TYR 15 -3.905 16.254 3.381 113 HD1 TYR 15 HD2 TYR 15 -6.179 19.146 4.075 114 HD2 TYR 15 HD1 TYR 15 -5.645 14.925 4.088 115 HE1 TYR 15 HE2 TYR 15 -8.497 18.861 4.846 116 HE2 TYR 15 HE1 TYR 15 -7.962 14.628 4.858 117 HH TYR 15 HH TYR 15 -9.707 16.700 6.279 118 H GLN 16 H GLN 16 -4.956 18.250 6.556 119 HA GLN 16 HA GLN 16 -3.509 16.238 8.149 120 HB2 GLN 16 1HB GLN 16 -4.273 17.442 10.146 121 HB3 GLN 16 2HB GLN 16 -3.322 18.481 9.093 122 HG2 GLN 16 1HG GLN 16 -6.299 18.467 8.884 123 HG3 GLN 16 2HG GLN 16 -5.502 19.375 10.168 124 HE21 GLN 16 2HE2 GLN 16 -6.493 19.381 6.955 125 HE22 GLN 16 1HE2 GLN 16 -5.703 20.831 6.448 126 H GLU 17 H GLU 17 -4.661 14.686 9.255 127 HA GLU 17 HA GLU 17 -7.314 14.149 8.236 128 HB2 GLU 17 1HB GLU 17 -7.099 11.993 9.232 129 HB3 GLU 17 2HB GLU 17 -5.544 12.384 8.512 130 HG2 GLU 17 1HG GLU 17 -4.820 11.600 10.505 131 HG3 GLU 17 2HG GLU 17 -5.057 13.288 10.950 132 H LYS 18 H LYS 18 -9.194 14.384 9.290 133 HA LYS 18 HA LYS 18 -9.077 15.354 12.070 134 HB2 LYS 18 1HB LYS 18 -11.039 16.650 11.654 135 HB3 LYS 18 2HB LYS 18 -9.919 16.965 10.335 136 HG2 LYS 18 1HG LYS 18 -11.276 15.008 9.190 137 HG3 LYS 18 2HG LYS 18 -12.522 15.544 10.319 138 HD2 LYS 18 1HD LYS 18 -12.692 17.633 9.345 139 HD3 LYS 18 2HD LYS 18 -11.067 17.558 8.658 140 HE2 LYS 18 1HE LYS 18 -12.292 17.208 6.766 141 HE3 LYS 18 2HE LYS 18 -12.123 15.541 7.312 142 HZ1 LYS 18 3HZ LYS 18 -14.468 16.858 6.793 143 HZ2 LYS 18 1HZ LYS 18 -14.392 16.807 8.483 144 HZ3 LYS 18 2HZ LYS 18 -14.306 15.373 7.589 145 H SER 19 H SER 19 -10.450 13.034 9.893 146 HA SER 19 HA SER 19 -12.043 11.916 12.106 147 HB2 SER 19 1HB SER 19 -12.687 10.963 9.402 148 HB3 SER 19 2HB SER 19 -13.760 11.502 10.694 149 HG SER 19 HG SER 19 -13.866 13.373 9.762 150 HA PRO 20 HA PRO 20 -9.717 8.199 12.012 151 HB2 PRO 20 1HB PRO 20 -11.626 6.302 12.374 152 HB3 PRO 20 2HB PRO 20 -11.105 7.399 13.659 153 HG2 PRO 20 1HG PRO 20 -13.514 7.562 11.890 154 HG3 PRO 20 2HG PRO 20 -13.385 7.857 13.633 155 HD2 PRO 20 1HD PRO 20 -13.457 9.865 11.817 156 HD3 PRO 20 2HD PRO 20 -12.549 9.985 13.339 157 H ARG 21 H ARG 21 -12.201 8.703 9.682 158 HA ARG 21 HA ARG 21 -11.486 6.341 8.134 159 HB2 ARG 21 1HB ARG 21 -13.682 8.337 8.080 160 HB3 ARG 21 2HB ARG 21 -13.220 7.630 6.537 161 HG2 ARG 21 1HG ARG 21 -13.935 6.009 8.968 162 HG3 ARG 21 2HG ARG 21 -15.088 6.468 7.713 163 HD2 ARG 21 1HD ARG 21 -13.619 5.342 6.046 164 HD3 ARG 21 2HD ARG 21 -12.615 4.776 7.381 165 HE ARG 21 HE ARG 21 -14.174 3.164 7.809 166 HH11 ARG 21 1HH1 ARG 21 -15.632 5.643 5.848 167 HH12 ARG 21 2HH1 ARG 21 -17.110 4.771 5.613 168 HH21 ARG 21 1HH2 ARG 21 -16.116 2.006 7.507 169 HH22 ARG 21 2HH2 ARG 21 -17.385 2.703 6.558 170 H GLU 22 H GLU 22 -10.874 9.749 8.233 171 HA GLU 22 HA GLU 22 -9.850 9.873 5.531 172 HB2 GLU 22 1HB GLU 22 -10.215 11.809 7.769 173 HB3 GLU 22 2HB GLU 22 -9.024 12.189 6.533 174 HG2 GLU 22 1HG GLU 22 -10.797 13.181 5.567 175 HG3 GLU 22 2HG GLU 22 -11.073 11.553 4.951 176 H VAL 23 H VAL 23 -7.661 10.387 5.000 177 HA VAL 23 HA VAL 23 -5.726 9.431 7.010 178 HB VAL 23 HB VAL 23 -4.303 8.810 4.999 179 HG11 VAL 23 1HG1 VAL 23 -5.072 6.671 5.095 180 HG12 VAL 23 2HG1 VAL 23 -5.964 7.339 6.464 181 HG13 VAL 23 3HG1 VAL 23 -6.758 7.150 4.900 182 HG21 VAL 23 3HG2 VAL 23 -5.460 8.424 2.891 183 HG22 VAL 23 1HG2 VAL 23 -6.946 9.088 3.570 184 HG23 VAL 23 2HG2 VAL 23 -5.540 10.128 3.339 185 H THR 24 H THR 24 -3.717 10.459 7.142 186 HA THR 24 HA THR 24 -3.760 13.245 6.337 187 HB THR 24 HB THR 24 -1.743 11.716 7.993 188 HG1 THR 24 HG1 THR 24 -2.793 13.116 9.657 189 HG21 THR 24 3HG2 THR 24 -0.407 13.488 7.827 190 HG22 THR 24 1HG2 THR 24 -1.683 14.508 8.491 191 HG23 THR 24 2HG2 THR 24 -1.559 14.273 6.747 192 H MET 25 H MET 25 -2.732 14.056 4.631 193 HA MET 25 HA MET 25 -0.560 12.476 3.421 194 HB2 MET 25 1HB MET 25 -1.349 13.455 1.214 195 HB3 MET 25 2HB MET 25 -2.379 12.223 1.931 196 HG2 MET 25 1HG MET 25 -3.811 14.028 2.846 197 HG3 MET 25 2HG MET 25 -2.822 15.197 1.974 198 HE1 MET 25 3HE MET 25 -5.256 15.889 1.358 199 HE2 MET 25 1HE MET 25 -4.342 16.231 -0.111 200 HE3 MET 25 2HE MET 25 -5.910 15.430 -0.215 201 H LYS 26 H LYS 26 0.974 13.746 2.141 202 HA LYS 26 HA LYS 26 1.079 16.591 2.835 203 HB2 LYS 26 1HB LYS 26 3.395 14.679 3.195 204 HB3 LYS 26 2HB LYS 26 3.443 16.418 3.455 205 HG2 LYS 26 1HG LYS 26 1.835 16.193 5.279 206 HG3 LYS 26 2HG LYS 26 1.785 14.448 5.018 207 HD2 LYS 26 1HD LYS 26 3.287 14.709 6.788 208 HD3 LYS 26 2HD LYS 26 4.327 14.523 5.374 209 HE2 LYS 26 1HE LYS 26 4.694 16.894 5.265 210 HE3 LYS 26 2HE LYS 26 3.508 17.181 6.537 211 HZ1 LYS 26 3HZ LYS 26 5.694 15.393 7.215 212 HZ2 LYS 26 1HZ LYS 26 4.956 16.602 8.140 213 HZ3 LYS 26 2HZ LYS 26 6.118 17.014 6.982 214 H LYS 27 H LYS 27 2.335 17.873 1.420 215 HA LYS 27 HA LYS 27 2.163 17.279 -1.270 216 HB2 LYS 27 1HB LYS 27 3.945 19.093 -1.535 217 HB3 LYS 27 2HB LYS 27 2.463 19.542 -0.700 218 HG2 LYS 27 1HG LYS 27 4.479 18.554 1.130 219 HG3 LYS 27 2HG LYS 27 5.047 19.937 0.192 220 HD2 LYS 27 1HD LYS 27 2.409 19.893 1.646 221 HD3 LYS 27 2HD LYS 27 3.904 20.493 2.368 222 HE2 LYS 27 1HE LYS 27 4.024 21.949 0.205 223 HE3 LYS 27 2HE LYS 27 2.294 21.619 0.117 224 HZ1 LYS 27 3HZ LYS 27 3.639 23.487 1.730 225 HZ2 LYS 27 1HZ LYS 27 2.869 22.366 2.736 226 HZ3 LYS 27 2HZ LYS 27 1.975 23.224 1.586 227 H GLY 28 H GLY 28 3.098 15.688 -2.369 228 HA2 GLY 28 1HA GLY 28 5.203 14.968 -3.394 229 HA3 GLY 28 2HA GLY 28 5.938 15.101 -1.803 230 H ASP 29 H ASP 29 3.293 13.890 -0.764 231 HA ASP 29 HA ASP 29 4.254 11.194 -0.701 232 HB2 ASP 29 1HB ASP 29 2.645 12.735 0.934 233 HB3 ASP 29 2HB ASP 29 1.510 11.589 0.226 234 H ILE 30 H ILE 30 3.073 9.315 -1.373 235 HA ILE 30 HA ILE 30 1.246 9.817 -3.630 236 HB ILE 30 HB ILE 30 3.206 7.529 -3.481 237 HG12 ILE 30 1HG1 ILE 30 3.424 10.103 -5.059 238 HG13 ILE 30 2HG1 ILE 30 4.393 9.689 -3.649 239 HG21 ILE 30 1HG2 ILE 30 1.819 8.562 -5.927 240 HG22 ILE 30 2HG2 ILE 30 2.548 6.982 -5.646 241 HG23 ILE 30 3HG2 ILE 30 1.032 7.407 -4.851 242 HD11 ILE 30 3HD1 ILE 30 5.723 9.274 -5.552 243 HD12 ILE 30 1HD1 ILE 30 5.218 7.699 -4.939 244 HD13 ILE 30 2HD1 ILE 30 4.425 8.390 -6.355 245 H LEU 31 H LEU 31 -0.605 8.672 -3.681 246 HA LEU 31 HA LEU 31 -0.917 6.463 -1.761 247 HB2 LEU 31 1HB LEU 31 -3.139 8.364 -2.424 248 HB3 LEU 31 2HB LEU 31 -3.034 7.217 -1.090 249 HG LEU 31 HG LEU 31 -0.977 8.824 -0.459 250 HD11 LEU 31 1HD1 LEU 31 -1.144 10.966 -1.163 251 HD12 LEU 31 2HD1 LEU 31 -2.899 10.900 -1.313 252 HD13 LEU 31 3HD1 LEU 31 -1.880 10.196 -2.568 253 HD21 LEU 31 3HD2 LEU 31 -2.251 8.959 1.351 254 HD22 LEU 31 1HD2 LEU 31 -3.634 8.376 0.424 255 HD23 LEU 31 2HD2 LEU 31 -3.311 10.107 0.531 256 H THR 32 H THR 32 -2.838 5.074 -2.278 257 HA THR 32 HA THR 32 -2.875 4.568 -5.159 258 HB THR 32 HB THR 32 -3.898 2.823 -2.911 259 HG1 THR 32 HG1 THR 32 -1.891 2.210 -2.705 260 HG21 THR 32 3HG2 THR 32 -4.639 1.392 -4.460 261 HG22 THR 32 1HG2 THR 32 -3.155 1.528 -5.401 262 HG23 THR 32 2HG2 THR 32 -4.452 2.701 -5.626 263 H LEU 33 H LEU 33 -4.418 5.733 -6.149 264 HA LEU 33 HA LEU 33 -6.810 6.631 -5.029 265 HB2 LEU 33 1HB LEU 33 -5.555 7.182 -7.288 266 HB3 LEU 33 2HB LEU 33 -6.696 6.006 -7.935 267 HG LEU 33 HG LEU 33 -7.621 8.160 -8.299 268 HD11 LEU 33 1HD1 LEU 33 -8.924 6.883 -5.900 269 HD12 LEU 33 2HD1 LEU 33 -9.234 6.505 -7.594 270 HD13 LEU 33 3HD1 LEU 33 -9.678 8.084 -6.948 271 HD21 LEU 33 3HD2 LEU 33 -6.997 9.866 -7.024 272 HD22 LEU 33 1HD2 LEU 33 -6.352 8.772 -5.800 273 HD23 LEU 33 2HD2 LEU 33 -8.049 9.250 -5.749 274 H LEU 34 H LEU 34 -8.212 5.268 -4.094 275 HA LEU 34 HA LEU 34 -8.804 2.689 -5.282 276 HB2 LEU 34 1HB LEU 34 -8.681 3.533 -2.716 277 HB3 LEU 34 2HB LEU 34 -10.415 3.647 -3.009 278 HG LEU 34 HG LEU 34 -9.092 1.106 -3.767 279 HD11 LEU 34 1HD1 LEU 34 -8.233 1.975 -1.449 280 HD12 LEU 34 2HD1 LEU 34 -8.739 0.298 -1.652 281 HD13 LEU 34 3HD1 LEU 34 -9.830 1.464 -0.903 282 HD21 LEU 34 3HD2 LEU 34 -11.385 0.729 -2.203 283 HD22 LEU 34 1HD2 LEU 34 -11.243 0.589 -3.955 284 HD23 LEU 34 2HD2 LEU 34 -11.725 2.123 -3.230 285 H ASN 35 H ASN 35 -10.506 5.718 -4.575 286 HA ASN 35 HA ASN 35 -12.461 5.016 -6.644 287 HB2 ASN 35 1HB ASN 35 -13.452 4.493 -4.427 288 HB3 ASN 35 2HB ASN 35 -13.207 6.170 -3.947 289 HD21 ASN 35 2HD2 ASN 35 -14.356 4.726 -6.970 290 HD22 ASN 35 1HD2 ASN 35 -15.873 5.553 -6.988 291 H SER 36 H SER 36 -12.781 6.613 -8.053 292 HA SER 36 HA SER 36 -12.081 9.357 -7.243 293 HB2 SER 36 1HB SER 36 -10.884 9.744 -9.199 294 HB3 SER 36 2HB SER 36 -10.460 8.068 -8.851 295 HG SER 36 HG SER 36 -11.610 9.037 -11.026 296 H THR 37 H THR 37 -14.635 7.678 -7.637 297 HA THR 37 HA THR 37 -16.091 8.616 -9.817 298 HB THR 37 HB THR 37 -16.833 6.787 -8.297 299 HG1 THR 37 HG1 THR 37 -18.781 8.853 -8.496 300 HG21 THR 37 3HG2 THR 37 -16.322 8.279 -6.222 301 HG22 THR 37 1HG2 THR 37 -17.682 7.159 -6.172 302 HG23 THR 37 2HG2 THR 37 -17.963 8.874 -6.472 303 H ASN 38 H ASN 38 -15.352 10.139 -6.759 304 HA ASN 38 HA ASN 38 -17.190 12.338 -7.269 305 HB2 ASN 38 1HB ASN 38 -15.828 11.248 -4.949 306 HB3 ASN 38 2HB ASN 38 -15.617 12.994 -5.055 307 HD21 ASN 38 2HD2 ASN 38 -17.348 14.330 -4.751 308 HD22 ASN 38 1HD2 ASN 38 -18.890 13.774 -4.206 309 H LYS 39 H LYS 39 -16.185 14.593 -6.719 310 HA LYS 39 HA LYS 39 -13.697 14.857 -8.277 311 HB2 LYS 39 1HB LYS 39 -14.524 17.080 -8.974 312 HB3 LYS 39 2HB LYS 39 -15.575 15.774 -9.507 313 HG2 LYS 39 1HG LYS 39 -16.922 16.289 -7.369 314 HG3 LYS 39 2HG LYS 39 -16.041 17.818 -7.374 315 HD2 LYS 39 1HD LYS 39 -16.953 18.458 -9.446 316 HD3 LYS 39 2HD LYS 39 -17.510 16.821 -9.799 317 HE2 LYS 39 1HE LYS 39 -19.024 17.060 -7.775 318 HE3 LYS 39 2HE LYS 39 -18.616 18.775 -7.797 319 HZ1 LYS 39 3HZ LYS 39 -20.581 18.606 -9.016 320 HZ2 LYS 39 1HZ LYS 39 -20.080 17.213 -9.835 321 HZ3 LYS 39 2HZ LYS 39 -19.380 18.708 -10.203 322 H ASP 40 H ASP 40 -15.505 15.875 -5.465 323 HA ASP 40 HA ASP 40 -13.425 17.724 -4.626 324 HB2 ASP 40 1HB ASP 40 -15.920 16.876 -3.141 325 HB3 ASP 40 2HB ASP 40 -14.888 18.254 -2.769 326 H TRP 41 H TRP 41 -14.988 14.817 -3.273 327 HA TRP 41 HA TRP 41 -12.641 14.420 -1.561 328 HB2 TRP 41 1HB TRP 41 -15.436 13.281 -1.473 329 HB3 TRP 41 2HB TRP 41 -14.129 12.687 -0.451 330 HD1 TRP 41 HD1 TRP 41 -16.800 15.246 -0.537 331 HE1 TRP 41 HE1 TRP 41 -16.532 16.893 1.422 332 HE3 TRP 41 HE3 TRP 41 -12.081 13.968 0.958 333 HZ2 TRP 41 HZ2 TRP 41 -14.578 17.562 3.347 334 HZ3 TRP 41 HZ3 TRP 41 -11.085 15.160 2.866 335 HH2 TRP 41 HH2 TRP 41 -12.309 16.920 4.034 336 H TRP 42 H TRP 42 -11.167 12.945 -2.064 337 HA TRP 42 HA TRP 42 -11.908 10.828 -3.977 338 HB2 TRP 42 1HB TRP 42 -9.474 12.528 -3.720 339 HB3 TRP 42 2HB TRP 42 -9.258 10.866 -4.262 340 HD1 TRP 42 HD1 TRP 42 -12.499 12.249 -5.446 341 HE1 TRP 42 HE1 TRP 42 -12.335 12.895 -7.932 342 HE3 TRP 42 HE3 TRP 42 -7.429 11.945 -6.031 343 HZ2 TRP 42 HZ2 TRP 42 -10.323 13.230 -9.883 344 HZ3 TRP 42 HZ3 TRP 42 -6.465 12.443 -8.239 345 HH2 TRP 42 HH2 TRP 42 -7.883 13.072 -10.124 346 H LYS 43 H LYS 43 -11.534 8.750 -3.443 347 HA LYS 43 HA LYS 43 -10.551 8.223 -0.744 348 HB2 LYS 43 1HB LYS 43 -11.717 6.189 -2.632 349 HB3 LYS 43 2HB LYS 43 -11.639 6.129 -0.876 350 HG2 LYS 43 1HG LYS 43 -13.224 8.053 -0.812 351 HG3 LYS 43 2HG LYS 43 -13.392 7.899 -2.563 352 HD2 LYS 43 1HD LYS 43 -15.211 6.740 -1.482 353 HD3 LYS 43 2HD LYS 43 -14.142 5.560 -2.243 354 HE2 LYS 43 1HE LYS 43 -13.407 4.736 -0.246 355 HE3 LYS 43 2HE LYS 43 -13.618 6.273 0.591 356 HZ1 LYS 43 3HZ LYS 43 -15.259 4.850 1.436 357 HZ2 LYS 43 1HZ LYS 43 -15.689 4.272 -0.095 358 HZ3 LYS 43 2HZ LYS 43 -16.081 5.856 0.352 359 H VAL 44 H VAL 44 -8.493 7.707 -0.457 360 HA VAL 44 HA VAL 44 -7.132 6.125 -2.536 361 HB VAL 44 HB VAL 44 -5.010 7.352 -1.672 362 HG11 VAL 44 1HG1 VAL 44 -5.593 9.311 -3.274 363 HG12 VAL 44 2HG1 VAL 44 -5.518 7.666 -3.908 364 HG13 VAL 44 3HG1 VAL 44 -7.080 8.405 -3.556 365 HG21 VAL 44 3HG2 VAL 44 -5.406 9.652 -0.949 366 HG22 VAL 44 1HG2 VAL 44 -7.145 9.356 -0.945 367 HG23 VAL 44 2HG2 VAL 44 -6.102 8.500 0.190 368 H GLU 45 H GLU 45 -5.425 4.750 -1.787 369 HA GLU 45 HA GLU 45 -5.839 3.888 0.989 370 HB2 GLU 45 1HB GLU 45 -5.999 2.388 -1.224 371 HB3 GLU 45 2HB GLU 45 -4.277 2.223 -0.911 372 HG2 GLU 45 1HG GLU 45 -4.666 1.259 1.218 373 HG3 GLU 45 2HG GLU 45 -6.380 1.666 1.160 374 H VAL 46 H VAL 46 -4.204 3.815 2.444 375 HA VAL 46 HA VAL 46 -1.549 4.707 1.522 376 HB VAL 46 HB VAL 46 -1.222 5.865 3.616 377 HG11 VAL 46 1HG1 VAL 46 -2.716 6.782 1.623 378 HG12 VAL 46 2HG1 VAL 46 -3.940 6.815 2.894 379 HG13 VAL 46 3HG1 VAL 46 -2.437 7.718 3.091 380 HG21 VAL 46 3HG2 VAL 46 -2.461 4.397 5.093 381 HG22 VAL 46 1HG2 VAL 46 -3.040 6.053 5.271 382 HG23 VAL 46 2HG2 VAL 46 -3.982 4.885 4.345 383 H LYS 47 H LYS 47 0.080 4.269 3.484 384 HA LYS 47 HA LYS 47 -0.330 1.481 4.344 385 HB2 LYS 47 1HB LYS 47 1.329 1.845 2.429 386 HB3 LYS 47 2HB LYS 47 2.357 2.636 3.617 387 HG2 LYS 47 1HG LYS 47 2.647 0.652 4.844 388 HG3 LYS 47 2HG LYS 47 1.320 -0.153 4.005 389 HD2 LYS 47 1HD LYS 47 3.636 0.827 2.407 390 HD3 LYS 47 2HD LYS 47 3.834 -0.637 3.374 391 HE2 LYS 47 1HE LYS 47 3.068 -1.592 1.460 392 HE3 LYS 47 2HE LYS 47 1.516 -1.238 2.218 393 HZ1 LYS 47 3HZ LYS 47 2.796 0.714 0.413 394 HZ2 LYS 47 1HZ LYS 47 1.165 0.574 0.839 395 HZ3 LYS 47 2HZ LYS 47 1.866 -0.556 -0.207 396 H ILE 48 H ILE 48 -0.507 1.426 6.479 397 HA ILE 48 HA ILE 48 1.086 3.320 8.077 398 HB ILE 48 HB ILE 48 -1.389 1.853 8.985 399 HG12 ILE 48 1HG1 ILE 48 -2.100 4.491 8.791 400 HG13 ILE 48 2HG1 ILE 48 -1.068 4.297 7.379 401 HG21 ILE 48 1HG2 ILE 48 0.574 3.145 10.429 402 HG22 ILE 48 2HG2 ILE 48 -0.697 4.358 10.284 403 HG23 ILE 48 3HG2 ILE 48 -1.060 2.782 10.986 404 HD11 ILE 48 3HD1 ILE 48 -3.642 3.862 7.246 405 HD12 ILE 48 1HD1 ILE 48 -2.506 2.846 6.360 406 HD13 ILE 48 2HD1 ILE 48 -3.192 2.281 7.884 407 H THR 49 H THR 49 2.748 2.481 9.130 408 HA THR 49 HA THR 49 2.849 -0.407 9.589 409 HB THR 49 HB THR 49 5.025 1.680 9.827 410 HG1 THR 49 HG1 THR 49 4.175 -0.056 7.792 411 HG21 THR 49 3HG2 THR 49 6.550 -0.252 9.988 412 HG22 THR 49 1HG2 THR 49 5.156 -1.330 10.050 413 HG23 THR 49 2HG2 THR 49 5.434 -0.171 11.350 414 H VAL 50 H VAL 50 1.998 -1.037 11.466 415 HA VAL 50 HA VAL 50 2.682 0.506 13.884 416 HB VAL 50 HB VAL 50 0.128 -1.026 13.374 417 HG11 VAL 50 1HG1 VAL 50 -0.191 0.585 15.609 418 HG12 VAL 50 2HG1 VAL 50 0.008 -1.168 15.594 419 HG13 VAL 50 3HG1 VAL 50 1.412 -0.122 15.806 420 HG21 VAL 50 3HG2 VAL 50 -0.931 1.215 13.534 421 HG22 VAL 50 1HG2 VAL 50 0.681 1.932 13.553 422 HG23 VAL 50 2HG2 VAL 50 0.130 1.038 12.136 423 H ASN 51 H ASN 51 3.727 -0.579 15.424 424 HA ASN 51 HA ASN 51 4.795 -2.268 16.514 425 HB2 ASN 51 1HB ASN 51 2.295 -2.740 16.957 426 HB3 ASN 51 2HB ASN 51 2.478 -4.049 15.793 427 HD21 ASN 51 2HD2 ASN 51 1.744 -5.045 17.973 428 HD22 ASN 51 1HD2 ASN 51 3.022 -5.678 18.949 429 H GLY 52 H GLY 52 5.461 -1.942 13.770 430 HA2 GLY 52 1HA GLY 52 6.818 -3.007 12.245 431 HA3 GLY 52 2HA GLY 52 6.843 -4.393 13.325 432 H LYS 53 H LYS 53 3.750 -3.257 12.378 433 HA LYS 53 HA LYS 53 3.545 -5.443 10.411 434 HB2 LYS 53 1HB LYS 53 1.519 -4.508 12.447 435 HB3 LYS 53 2HB LYS 53 1.134 -5.604 11.126 436 HG2 LYS 53 1HG LYS 53 2.754 -7.217 11.993 437 HG3 LYS 53 2HG LYS 53 3.131 -6.118 13.322 438 HD2 LYS 53 1HD LYS 53 0.627 -6.211 13.858 439 HD3 LYS 53 2HD LYS 53 0.579 -7.610 12.783 440 HE2 LYS 53 1HE LYS 53 2.610 -7.486 14.972 441 HE3 LYS 53 2HE LYS 53 0.946 -7.930 15.350 442 HZ1 LYS 53 3HZ LYS 53 1.075 -9.768 13.860 443 HZ2 LYS 53 1HZ LYS 53 2.426 -9.842 14.876 444 HZ3 LYS 53 2HZ LYS 53 2.591 -9.287 13.286 445 H THR 54 H THR 54 3.169 -4.737 8.427 446 HA THR 54 HA THR 54 2.371 -2.035 7.907 447 HB THR 54 HB THR 54 2.150 -3.274 5.483 448 HG1 THR 54 HG1 THR 54 4.311 -4.605 6.737 449 HG21 THR 54 3HG2 THR 54 4.465 -2.519 5.091 450 HG22 THR 54 1HG2 THR 54 4.673 -2.299 6.828 451 HG23 THR 54 2HG2 THR 54 3.509 -1.310 5.948 452 H TYR 55 H TYR 55 0.370 -1.279 7.753 453 HA TYR 55 HA TYR 55 -1.812 -3.186 7.217 454 HB2 TYR 55 1HB TYR 55 -1.808 -0.692 8.924 455 HB3 TYR 55 2HB TYR 55 -3.264 -1.580 8.490 456 HD1 TYR 55 HD2 TYR 55 -3.525 -3.952 9.284 457 HD2 TYR 55 HD1 TYR 55 -0.427 -1.406 10.706 458 HE1 TYR 55 HE2 TYR 55 -3.201 -5.436 11.219 459 HE2 TYR 55 HE1 TYR 55 -0.094 -2.883 12.644 460 HH TYR 55 HH TYR 55 -2.262 -5.543 13.320 461 H GLU 56 H GLU 56 -3.493 -2.544 5.853 462 HA GLU 56 HA GLU 56 -2.949 -0.130 4.252 463 HB2 GLU 56 1HB GLU 56 -3.782 -2.886 3.397 464 HB3 GLU 56 2HB GLU 56 -4.154 -1.487 2.400 465 HG2 GLU 56 1HG GLU 56 -1.892 -1.017 2.015 466 HG3 GLU 56 2HG GLU 56 -1.365 -2.068 3.328 467 H ARG 57 H ARG 57 -4.583 1.271 3.986 468 HA ARG 57 HA ARG 57 -7.338 0.440 4.314 469 HB2 ARG 57 1HB ARG 57 -7.851 2.001 6.097 470 HB3 ARG 57 2HB ARG 57 -6.594 0.891 6.628 471 HG2 ARG 57 1HG ARG 57 -5.457 2.681 7.277 472 HG3 ARG 57 2HG ARG 57 -5.186 3.018 5.566 473 HD2 ARG 57 1HD ARG 57 -6.066 4.988 6.649 474 HD3 ARG 57 2HD ARG 57 -7.266 4.343 5.530 475 HE ARG 57 HE ARG 57 -8.664 4.032 7.302 476 HH11 ARG 57 1HH1 ARG 57 -5.399 4.259 8.491 477 HH12 ARG 57 2HH1 ARG 57 -5.865 4.221 10.159 478 HH21 ARG 57 1HH2 ARG 57 -9.290 3.982 9.495 479 HH22 ARG 57 2HH2 ARG 57 -8.079 4.063 10.729 480 H GLN 58 H GLN 58 -8.848 1.993 3.559 481 HA GLN 58 HA GLN 58 -7.628 4.041 1.838 482 HB2 GLN 58 1HB GLN 58 -9.461 3.816 0.360 483 HB3 GLN 58 2HB GLN 58 -8.999 2.177 0.798 484 HG2 GLN 58 1HG GLN 58 -10.830 2.059 2.384 485 HG3 GLN 58 2HG GLN 58 -11.274 3.725 2.016 486 HE21 GLN 58 2HE2 GLN 58 -11.107 3.816 -0.679 487 HE22 GLN 58 1HE2 GLN 58 -12.256 2.740 -1.391 488 H GLY 59 H GLY 59 -8.226 6.148 1.983 489 HA2 GLY 59 1HA GLY 59 -10.439 6.833 3.798 490 HA3 GLY 59 2HA GLY 59 -8.853 7.543 4.065 491 H PHE 60 H PHE 60 -11.123 9.092 3.639 492 HA PHE 60 HA PHE 60 -11.109 9.942 0.866 493 HB2 PHE 60 1HB PHE 60 -12.556 11.222 3.189 494 HB3 PHE 60 2HB PHE 60 -12.905 11.417 1.474 495 HD1 PHE 60 HD2 PHE 60 -13.068 9.091 4.321 496 HD2 PHE 60 HD1 PHE 60 -14.230 9.842 0.296 497 HE1 PHE 60 HE2 PHE 60 -14.673 7.230 4.441 498 HE2 PHE 60 HE1 PHE 60 -15.838 7.982 0.410 499 HZ PHE 60 HZ PHE 60 -16.060 6.673 2.484 500 H VAL 61 H VAL 61 -10.372 11.907 0.102 501 HA VAL 61 HA VAL 61 -9.104 13.782 1.920 502 HB VAL 61 HB VAL 61 -6.999 13.760 0.460 503 HG11 VAL 61 1HG1 VAL 61 -7.449 11.336 2.192 504 HG12 VAL 61 2HG1 VAL 61 -5.922 12.159 1.870 505 HG13 VAL 61 3HG1 VAL 61 -7.174 12.960 2.821 506 HG21 VAL 61 3HG2 VAL 61 -8.035 10.999 -0.180 507 HG22 VAL 61 1HG2 VAL 61 -7.902 12.337 -1.320 508 HG23 VAL 61 2HG2 VAL 61 -6.448 11.639 -0.606 509 HA PRO 62 HA PRO 62 -10.393 16.738 -1.058 510 HB2 PRO 62 1HB PRO 62 -8.494 18.657 -0.771 511 HB3 PRO 62 2HB PRO 62 -9.748 18.358 0.438 512 HG2 PRO 62 1HG PRO 62 -6.898 17.445 0.400 513 HG3 PRO 62 2HG PRO 62 -7.848 18.090 1.751 514 HD2 PRO 62 1HD PRO 62 -7.398 15.440 1.420 515 HD3 PRO 62 2HD PRO 62 -8.890 16.073 2.146 516 H ALA 63 H ALA 63 -10.240 16.146 -3.147 517 HA ALA 63 HA ALA 63 -7.900 15.341 -4.469 518 HB1 ALA 63 1HB ALA 63 -10.275 14.884 -5.170 519 HB2 ALA 63 2HB ALA 63 -10.318 16.527 -5.810 520 HB3 ALA 63 3HB ALA 63 -9.175 15.355 -6.466 521 H ALA 64 H ALA 64 -9.284 18.490 -3.915 522 HA ALA 64 HA ALA 64 -7.905 19.921 -5.918 523 HB1 ALA 64 1HB ALA 64 -8.872 20.928 -3.244 524 HB2 ALA 64 2HB ALA 64 -8.480 21.909 -4.657 525 HB3 ALA 64 3HB ALA 64 -9.855 20.805 -4.704 526 H TYR 65 H TYR 65 -6.806 18.432 -3.076 527 HA TYR 65 HA TYR 65 -4.436 20.154 -2.917 528 HB2 TYR 65 1HB TYR 65 -5.781 18.279 -1.021 529 HB3 TYR 65 2HB TYR 65 -4.048 18.537 -0.853 530 HD1 TYR 65 HD1 TYR 65 -6.689 20.974 -1.827 531 HD2 TYR 65 HD2 TYR 65 -3.841 19.790 1.104 532 HE1 TYR 65 HE1 TYR 65 -7.125 23.047 -0.575 533 HE2 TYR 65 HE2 TYR 65 -4.270 21.859 2.365 534 HH TYR 65 HH TYR 65 -5.147 24.232 1.761 535 H VAL 66 H VAL 66 -5.432 17.399 -4.441 536 HA VAL 66 HA VAL 66 -2.662 16.447 -4.699 537 HB VAL 66 HB VAL 66 -3.367 14.139 -4.726 538 HG11 VAL 66 1HG1 VAL 66 -3.355 13.934 -2.490 539 HG12 VAL 66 2HG1 VAL 66 -3.223 15.694 -2.498 540 HG13 VAL 66 3HG1 VAL 66 -4.798 14.927 -2.291 541 HG21 VAL 66 3HG2 VAL 66 -5.991 14.163 -3.753 542 HG22 VAL 66 1HG2 VAL 66 -5.972 15.301 -5.101 543 HG23 VAL 66 2HG2 VAL 66 -5.444 13.636 -5.344 544 H LYS 67 H LYS 67 -2.775 14.639 -6.589 545 HA LYS 67 HA LYS 67 -4.559 15.285 -8.738 546 HB2 LYS 67 1HB LYS 67 -2.890 16.146 -10.292 547 HB3 LYS 67 2HB LYS 67 -3.008 17.189 -8.881 548 HG2 LYS 67 1HG LYS 67 -0.910 16.719 -8.184 549 HG3 LYS 67 2HG LYS 67 -0.963 15.060 -8.783 550 HD2 LYS 67 1HD LYS 67 0.638 16.375 -10.056 551 HD3 LYS 67 2HD LYS 67 -0.717 15.895 -11.080 552 HE2 LYS 67 1HE LYS 67 -1.490 18.026 -11.288 553 HE3 LYS 67 2HE LYS 67 -0.926 18.503 -9.687 554 HZ1 LYS 67 3HZ LYS 67 1.355 17.985 -11.112 555 HZ2 LYS 67 1HZ LYS 67 0.737 19.512 -10.727 556 HZ3 LYS 67 2HZ LYS 67 0.359 18.796 -12.213 557 H LYS 68 H LYS 68 -3.926 14.078 -10.767 558 HA LYS 68 HA LYS 68 -3.418 11.371 -10.118 559 HB2 LYS 68 1HB LYS 68 -3.975 12.923 -12.573 560 HB3 LYS 68 2HB LYS 68 -3.116 11.406 -12.807 561 HG2 LYS 68 1HG LYS 68 -4.884 10.133 -12.073 562 HG3 LYS 68 2HG LYS 68 -5.577 11.451 -11.125 563 HD2 LYS 68 1HD LYS 68 -7.015 11.213 -12.966 564 HD3 LYS 68 2HD LYS 68 -6.006 12.606 -13.360 565 HE2 LYS 68 1HE LYS 68 -4.639 11.283 -14.816 566 HE3 LYS 68 2HE LYS 68 -5.440 9.799 -14.299 567 HZ1 LYS 68 3HZ LYS 68 -7.329 11.675 -15.280 568 HZ2 LYS 68 1HZ LYS 68 -7.014 10.099 -15.809 569 HZ3 LYS 68 2HZ LYS 68 -6.126 11.395 -16.436 570 H LEU 69 H LEU 69 -1.604 10.168 -10.194 571 HA LEU 69 HA LEU 69 0.921 11.400 -10.155 572 HB2 LEU 69 1HB LEU 69 0.472 9.306 -9.013 573 HB3 LEU 69 2HB LEU 69 0.185 8.504 -10.556 574 HG LEU 69 HG LEU 69 2.846 9.755 -10.082 575 HD11 LEU 69 1HD1 LEU 69 3.675 7.939 -8.835 576 HD12 LEU 69 2HD1 LEU 69 2.195 7.007 -9.055 577 HD13 LEU 69 3HD1 LEU 69 2.192 8.434 -8.020 578 HD21 LEU 69 3HD2 LEU 69 3.285 7.381 -11.242 579 HD22 LEU 69 1HD2 LEU 69 2.891 8.840 -12.150 580 HD23 LEU 69 2HD2 LEU 69 1.629 7.664 -11.780 581 H ASP 70 H ASP 70 -0.897 9.842 -12.716 582 HA ASP 70 HA ASP 70 1.342 10.062 -14.570 583 HB2 ASP 70 1HB ASP 70 -0.316 8.077 -14.435 584 HB3 ASP 70 2HB ASP 70 -1.424 9.138 -15.302 Start of MODEL 3 1 H1 MET 1 H MET 1 5.704 6.789 -18.719 2 HA MET 1 HA MET 1 3.601 5.485 -20.121 3 HB2 MET 1 1HB MET 1 5.054 4.559 -17.637 4 HB3 MET 1 2HB MET 1 4.130 3.552 -18.744 5 HG2 MET 1 1HG MET 1 6.495 5.127 -19.685 6 HG3 MET 1 2HG MET 1 6.684 3.549 -18.924 7 HE1 MET 1 3HE MET 1 5.887 1.029 -20.768 8 HE2 MET 1 1HE MET 1 4.988 1.775 -19.447 9 HE3 MET 1 2HE MET 1 4.204 1.502 -21.003 10 H ASP 2 H ASP 2 1.521 5.185 -19.595 11 HA ASP 2 HA ASP 2 0.600 6.288 -17.029 12 HB2 ASP 2 1HB ASP 2 -1.674 6.251 -18.265 13 HB3 ASP 2 2HB ASP 2 -0.495 7.479 -18.718 14 H GLU 3 H GLU 3 1.684 3.750 -16.957 15 HA GLU 3 HA GLU 3 -0.654 2.198 -16.166 16 HB2 GLU 3 1HB GLU 3 -0.047 1.544 -18.519 17 HB3 GLU 3 2HB GLU 3 1.501 0.986 -17.900 18 HG2 GLU 3 1HG GLU 3 0.541 -0.986 -17.599 19 HG3 GLU 3 2HG GLU 3 -0.344 -0.254 -16.262 20 H THR 4 H THR 4 0.675 3.286 -14.269 21 HA THR 4 HA THR 4 3.072 2.036 -13.427 22 HB THR 4 HB THR 4 2.749 3.128 -11.307 23 HG1 THR 4 HG1 THR 4 0.061 3.440 -12.189 24 HG21 THR 4 3HG2 THR 4 2.246 5.464 -12.056 25 HG22 THR 4 1HG2 THR 4 1.779 4.802 -13.622 26 HG23 THR 4 2HG2 THR 4 3.437 4.624 -13.049 27 H GLY 5 H GLY 5 -0.271 1.163 -13.171 28 HA2 GLY 5 1HA GLY 5 -0.085 -1.449 -12.656 29 HA3 GLY 5 2HA GLY 5 0.210 -0.779 -11.059 30 H LYS 6 H LYS 6 -1.492 1.051 -10.535 31 HA LYS 6 HA LYS 6 -4.156 0.082 -11.326 32 HB2 LYS 6 1HB LYS 6 -3.003 0.435 -8.604 33 HB3 LYS 6 2HB LYS 6 -4.692 0.868 -8.834 34 HG2 LYS 6 1HG LYS 6 -4.877 -1.321 -8.193 35 HG3 LYS 6 2HG LYS 6 -4.844 -1.487 -9.950 36 HD2 LYS 6 1HD LYS 6 -3.366 -3.127 -9.040 37 HD3 LYS 6 2HD LYS 6 -2.374 -1.868 -9.781 38 HE2 LYS 6 1HE LYS 6 -1.383 -1.405 -7.842 39 HE3 LYS 6 2HE LYS 6 -2.933 -1.263 -7.014 40 HZ1 LYS 6 3HZ LYS 6 -1.944 -3.019 -5.932 41 HZ2 LYS 6 1HZ LYS 6 -1.213 -3.630 -7.330 42 HZ3 LYS 6 2HZ LYS 6 -2.875 -3.828 -7.089 43 H GLU 7 H GLU 7 -3.018 2.661 -9.157 44 HA GLU 7 HA GLU 7 -3.399 4.808 -10.901 45 HB2 GLU 7 1HB GLU 7 -5.845 3.733 -9.761 46 HB3 GLU 7 2HB GLU 7 -5.606 5.417 -9.314 47 HG2 GLU 7 1HG GLU 7 -5.967 6.162 -11.400 48 HG3 GLU 7 2HG GLU 7 -5.142 4.795 -12.147 49 H LEU 8 H LEU 8 -1.492 5.362 -9.771 50 HA LEU 8 HA LEU 8 -1.686 5.962 -6.934 51 HB2 LEU 8 1HB LEU 8 0.477 5.674 -8.917 52 HB3 LEU 8 2HB LEU 8 0.759 6.855 -7.640 53 HG LEU 8 HG LEU 8 1.737 4.663 -7.127 54 HD11 LEU 8 1HD1 LEU 8 -0.326 4.644 -5.099 55 HD12 LEU 8 2HD1 LEU 8 0.218 6.280 -5.468 56 HD13 LEU 8 3HD1 LEU 8 1.384 5.056 -4.968 57 HD21 LEU 8 3HD2 LEU 8 -0.205 3.463 -8.356 58 HD22 LEU 8 1HD2 LEU 8 -1.019 3.551 -6.794 59 HD23 LEU 8 2HD2 LEU 8 0.520 2.703 -6.938 60 H VAL 9 H VAL 9 -1.648 7.980 -6.036 61 HA VAL 9 HA VAL 9 -1.693 10.272 -7.886 62 HB VAL 9 HB VAL 9 -3.354 11.339 -6.330 63 HG11 VAL 9 1HG1 VAL 9 -4.523 8.835 -7.479 64 HG12 VAL 9 2HG1 VAL 9 -5.183 10.471 -7.466 65 HG13 VAL 9 3HG1 VAL 9 -3.836 10.071 -8.532 66 HG21 VAL 9 3HG2 VAL 9 -4.260 10.269 -4.559 67 HG22 VAL 9 1HG2 VAL 9 -4.224 8.696 -5.357 68 HG23 VAL 9 2HG2 VAL 9 -2.760 9.344 -4.619 69 H LEU 10 H LEU 10 -0.648 12.103 -7.231 70 HA LEU 10 HA LEU 10 0.909 11.873 -4.749 71 HB2 LEU 10 1HB LEU 10 1.955 12.163 -7.115 72 HB3 LEU 10 2HB LEU 10 1.494 13.852 -6.912 73 HG LEU 10 HG LEU 10 3.109 12.551 -4.773 74 HD11 LEU 10 1HD1 LEU 10 4.156 13.408 -7.461 75 HD12 LEU 10 2HD1 LEU 10 4.337 11.839 -6.677 76 HD13 LEU 10 3HD1 LEU 10 5.167 13.252 -6.024 77 HD21 LEU 10 3HD2 LEU 10 3.918 15.167 -5.625 78 HD22 LEU 10 1HD2 LEU 10 3.273 14.648 -4.068 79 HD23 LEU 10 2HD2 LEU 10 2.174 15.131 -5.360 80 H ALA 11 H ALA 11 1.076 13.625 -3.328 81 HA ALA 11 HA ALA 11 -1.238 15.391 -3.357 82 HB1 ALA 11 1HB ALA 11 -0.121 16.041 -1.061 83 HB2 ALA 11 2HB ALA 11 -1.042 14.547 -1.240 84 HB3 ALA 11 3HB ALA 11 0.720 14.508 -1.298 85 H LEU 12 H LEU 12 -1.169 17.456 -3.952 86 HA LEU 12 HA LEU 12 1.407 18.647 -4.611 87 HB2 LEU 12 1HB LEU 12 -1.396 19.639 -5.106 88 HB3 LEU 12 2HB LEU 12 0.080 20.388 -5.710 89 HG LEU 12 HG LEU 12 -0.868 17.625 -6.463 90 HD11 LEU 12 1HD1 LEU 12 -1.590 20.274 -7.460 91 HD12 LEU 12 2HD1 LEU 12 -2.380 18.715 -7.696 92 HD13 LEU 12 3HD1 LEU 12 -1.011 19.172 -8.710 93 HD21 LEU 12 3HD2 LEU 12 1.093 17.364 -7.470 94 HD22 LEU 12 1HD2 LEU 12 1.644 18.843 -6.682 95 HD23 LEU 12 2HD2 LEU 12 0.932 18.916 -8.294 96 H TYR 13 H TYR 13 -1.309 19.108 -2.434 97 HA TYR 13 HA TYR 13 0.182 21.287 -1.124 98 HB2 TYR 13 1HB TYR 13 -2.808 20.835 -1.198 99 HB3 TYR 13 2HB TYR 13 -1.997 22.119 -0.308 100 HD1 TYR 13 HD2 TYR 13 -2.521 20.790 -3.742 101 HD2 TYR 13 HD1 TYR 13 -1.524 24.162 -1.345 102 HE1 TYR 13 HE2 TYR 13 -2.629 22.230 -5.733 103 HE2 TYR 13 HE1 TYR 13 -1.631 25.611 -3.329 104 HH TYR 13 HH TYR 13 -2.351 25.724 -5.491 105 H ASP 14 H ASP 14 -0.804 21.506 1.262 106 HA ASP 14 HA ASP 14 -0.312 18.897 2.497 107 HB2 ASP 14 1HB ASP 14 0.037 20.224 4.582 108 HB3 ASP 14 2HB ASP 14 1.141 20.657 3.280 109 H TYR 15 H TYR 15 -1.817 17.825 3.634 110 HA TYR 15 HA TYR 15 -4.316 19.217 4.311 111 HB2 TYR 15 1HB TYR 15 -4.552 17.846 2.215 112 HB3 TYR 15 2HB TYR 15 -4.202 16.416 3.180 113 HD1 TYR 15 HD1 TYR 15 -6.531 19.338 3.114 114 HD2 TYR 15 HD2 TYR 15 -5.970 15.235 4.092 115 HE1 TYR 15 HE1 TYR 15 -8.913 19.158 3.698 116 HE2 TYR 15 HE2 TYR 15 -8.352 15.043 4.677 117 HH TYR 15 HH TYR 15 -10.197 16.887 5.501 118 H GLN 16 H GLN 16 -5.567 18.167 6.001 119 HA GLN 16 HA GLN 16 -3.964 16.395 7.717 120 HB2 GLN 16 1HB GLN 16 -5.045 17.655 9.667 121 HB3 GLN 16 2HB GLN 16 -3.746 18.466 8.802 122 HG2 GLN 16 1HG GLN 16 -5.498 20.035 9.240 123 HG3 GLN 16 2HG GLN 16 -5.432 19.715 7.507 124 HE21 GLN 16 2HE2 GLN 16 -7.326 19.469 6.586 125 HE22 GLN 16 1HE2 GLN 16 -8.761 18.871 7.337 126 H GLU 17 H GLU 17 -5.170 15.035 9.143 127 HA GLU 17 HA GLU 17 -7.823 14.398 8.074 128 HB2 GLU 17 1HB GLU 17 -7.540 12.209 8.957 129 HB3 GLU 17 2HB GLU 17 -6.015 12.641 8.197 130 HG2 GLU 17 1HG GLU 17 -5.181 13.298 10.468 131 HG3 GLU 17 2HG GLU 17 -6.651 12.588 11.132 132 H LYS 18 H LYS 18 -9.642 14.567 9.248 133 HA LYS 18 HA LYS 18 -9.378 15.575 11.997 134 HB2 LYS 18 1HB LYS 18 -11.742 16.369 11.654 135 HB3 LYS 18 2HB LYS 18 -10.543 17.137 10.621 136 HG2 LYS 18 1HG LYS 18 -11.247 15.927 8.729 137 HG3 LYS 18 2HG LYS 18 -12.187 14.797 9.706 138 HD2 LYS 18 1HD LYS 18 -12.869 17.694 9.827 139 HD3 LYS 18 2HD LYS 18 -13.345 16.774 8.398 140 HE2 LYS 18 1HE LYS 18 -14.406 15.109 9.949 141 HE3 LYS 18 2HE LYS 18 -14.095 16.238 11.266 142 HZ1 LYS 18 3HZ LYS 18 -15.783 16.744 8.877 143 HZ2 LYS 18 1HZ LYS 18 -15.425 17.895 10.064 144 HZ3 LYS 18 2HZ LYS 18 -16.326 16.520 10.463 145 H SER 19 H SER 19 -10.660 13.007 10.061 146 HA SER 19 HA SER 19 -11.893 11.829 12.466 147 HB2 SER 19 1HB SER 19 -12.723 10.700 9.885 148 HB3 SER 19 2HB SER 19 -13.700 11.188 11.269 149 HG SER 19 HG SER 19 -13.825 12.431 9.167 150 HA PRO 20 HA PRO 20 -9.203 8.373 12.216 151 HB2 PRO 20 1HB PRO 20 -10.846 6.304 12.841 152 HB3 PRO 20 2HB PRO 20 -10.311 7.499 14.029 153 HG2 PRO 20 1HG PRO 20 -12.901 7.339 12.536 154 HG3 PRO 20 2HG PRO 20 -12.616 7.715 14.245 155 HD2 PRO 20 1HD PRO 20 -13.100 9.631 12.393 156 HD3 PRO 20 2HD PRO 20 -12.052 9.905 13.800 157 H ARG 21 H ARG 21 -11.806 8.686 10.063 158 HA ARG 21 HA ARG 21 -11.157 6.267 8.567 159 HB2 ARG 21 1HB ARG 21 -13.538 7.366 9.006 160 HB3 ARG 21 2HB ARG 21 -13.116 8.276 7.561 161 HG2 ARG 21 1HG ARG 21 -12.855 6.231 6.302 162 HG3 ARG 21 2HG ARG 21 -13.158 5.272 7.752 163 HD2 ARG 21 1HD ARG 21 -15.182 7.285 6.891 164 HD3 ARG 21 2HD ARG 21 -15.076 5.754 6.024 165 HE ARG 21 HE ARG 21 -15.220 5.458 8.879 166 HH11 ARG 21 1HH1 ARG 21 -17.053 5.823 5.941 167 HH12 ARG 21 2HH1 ARG 21 -18.480 5.083 6.586 168 HH21 ARG 21 1HH2 ARG 21 -17.094 4.481 9.739 169 HH22 ARG 21 2HH2 ARG 21 -18.503 4.320 8.746 170 H GLU 22 H GLU 22 -10.622 9.692 8.493 171 HA GLU 22 HA GLU 22 -9.763 9.729 5.734 172 HB2 GLU 22 1HB GLU 22 -9.556 11.835 7.893 173 HB3 GLU 22 2HB GLU 22 -9.170 12.083 6.196 174 HG2 GLU 22 1HG GLU 22 -11.604 11.290 5.790 175 HG3 GLU 22 2HG GLU 22 -11.829 11.690 7.492 176 H VAL 23 H VAL 23 -7.565 10.758 5.263 177 HA VAL 23 HA VAL 23 -5.517 9.694 7.092 178 HB VAL 23 HB VAL 23 -4.156 9.071 5.103 179 HG11 VAL 23 1HG1 VAL 23 -5.152 7.242 6.123 180 HG12 VAL 23 2HG1 VAL 23 -6.781 7.751 5.676 181 HG13 VAL 23 3HG1 VAL 23 -5.695 7.094 4.452 182 HG21 VAL 23 3HG2 VAL 23 -5.027 10.374 3.355 183 HG22 VAL 23 1HG2 VAL 23 -5.514 8.724 2.969 184 HG23 VAL 23 2HG2 VAL 23 -6.680 9.846 3.669 185 H THR 24 H THR 24 -3.653 10.885 7.297 186 HA THR 24 HA THR 24 -3.821 13.640 6.413 187 HB THR 24 HB THR 24 -1.775 12.263 8.164 188 HG1 THR 24 HG1 THR 24 -3.011 12.892 9.807 189 HG21 THR 24 3HG2 THR 24 -1.706 14.807 6.862 190 HG22 THR 24 1HG2 THR 24 -0.522 14.093 7.957 191 HG23 THR 24 2HG2 THR 24 -1.852 15.055 8.602 192 H MET 25 H MET 25 -2.879 14.391 4.639 193 HA MET 25 HA MET 25 -0.519 12.975 3.590 194 HB2 MET 25 1HB MET 25 -1.323 13.632 1.304 195 HB3 MET 25 2HB MET 25 -2.324 12.439 2.120 196 HG2 MET 25 1HG MET 25 -3.931 14.152 2.712 197 HG3 MET 25 2HG MET 25 -2.913 15.385 1.972 198 HE1 MET 25 3HE MET 25 -3.961 16.336 -0.369 199 HE2 MET 25 1HE MET 25 -5.522 15.590 -0.714 200 HE3 MET 25 2HE MET 25 -5.128 16.088 0.931 201 H LYS 26 H LYS 26 0.935 14.298 2.303 202 HA LYS 26 HA LYS 26 0.695 17.186 2.725 203 HB2 LYS 26 1HB LYS 26 2.950 17.378 3.565 204 HB3 LYS 26 2HB LYS 26 2.057 16.254 4.581 205 HG2 LYS 26 1HG LYS 26 3.091 14.390 3.258 206 HG3 LYS 26 2HG LYS 26 4.121 15.603 2.494 207 HD2 LYS 26 1HD LYS 26 3.945 15.190 5.475 208 HD3 LYS 26 2HD LYS 26 5.156 14.420 4.447 209 HE2 LYS 26 1HE LYS 26 5.855 16.697 3.699 210 HE3 LYS 26 2HE LYS 26 4.751 17.375 4.894 211 HZ1 LYS 26 3HZ LYS 26 6.959 17.294 5.793 212 HZ2 LYS 26 1HZ LYS 26 7.101 15.645 5.443 213 HZ3 LYS 26 2HZ LYS 26 6.001 16.169 6.617 214 H LYS 27 H LYS 27 2.078 18.455 1.337 215 HA LYS 27 HA LYS 27 2.065 17.700 -1.315 216 HB2 LYS 27 1HB LYS 27 3.848 19.519 -1.586 217 HB3 LYS 27 2HB LYS 27 2.310 19.995 -0.878 218 HG2 LYS 27 1HG LYS 27 4.251 19.151 1.115 219 HG3 LYS 27 2HG LYS 27 4.803 20.521 0.149 220 HD2 LYS 27 1HD LYS 27 2.111 20.395 1.501 221 HD3 LYS 27 2HD LYS 27 3.540 21.135 2.227 222 HE2 LYS 27 1HE LYS 27 2.451 21.943 -0.461 223 HE3 LYS 27 2HE LYS 27 1.952 22.707 1.047 224 HZ1 LYS 27 3HZ LYS 27 4.533 22.945 1.339 225 HZ2 LYS 27 1HZ LYS 27 3.650 24.071 0.437 226 HZ3 LYS 27 2HZ LYS 27 4.520 22.854 -0.350 227 H GLY 28 H GLY 28 2.989 15.886 -2.061 228 HA2 GLY 28 1HA GLY 28 5.222 15.224 -2.988 229 HA3 GLY 28 2HA GLY 28 5.815 15.401 -1.342 230 H ASP 29 H ASP 29 3.121 14.237 -0.454 231 HA ASP 29 HA ASP 29 4.036 11.548 -0.221 232 HB2 ASP 29 1HB ASP 29 2.438 13.038 1.313 233 HB3 ASP 29 2HB ASP 29 1.196 12.223 0.366 234 H ILE 30 H ILE 30 2.622 9.663 -0.775 235 HA ILE 30 HA ILE 30 1.065 10.053 -3.225 236 HB ILE 30 HB ILE 30 3.168 7.902 -3.015 237 HG12 ILE 30 1HG1 ILE 30 4.105 9.469 -4.976 238 HG13 ILE 30 2HG1 ILE 30 3.313 10.704 -4.004 239 HG21 ILE 30 1HG2 ILE 30 2.292 7.066 -4.879 240 HG22 ILE 30 2HG2 ILE 30 0.936 8.170 -4.658 241 HG23 ILE 30 3HG2 ILE 30 2.304 8.645 -5.664 242 HD11 ILE 30 3HD1 ILE 30 4.735 10.396 -2.220 243 HD12 ILE 30 1HD1 ILE 30 5.176 8.763 -2.718 244 HD13 ILE 30 2HD1 ILE 30 5.805 10.155 -3.601 245 H LEU 31 H LEU 31 -0.742 8.867 -3.271 246 HA LEU 31 HA LEU 31 -0.959 6.591 -1.414 247 HB2 LEU 31 1HB LEU 31 -3.207 8.458 -2.132 248 HB3 LEU 31 2HB LEU 31 -3.216 7.184 -0.915 249 HG LEU 31 HG LEU 31 -1.272 8.683 0.110 250 HD11 LEU 31 1HD1 LEU 31 -2.953 10.933 -0.737 251 HD12 LEU 31 2HD1 LEU 31 -1.924 10.256 -1.999 252 HD13 LEU 31 3HD1 LEU 31 -1.208 10.841 -0.497 253 HD21 LEU 31 3HD2 LEU 31 -2.753 9.000 1.753 254 HD22 LEU 31 1HD2 LEU 31 -3.883 8.115 0.728 255 HD23 LEU 31 2HD2 LEU 31 -3.867 9.878 0.704 256 H THR 32 H THR 32 -2.796 5.103 -2.008 257 HA THR 32 HA THR 32 -2.708 4.635 -4.898 258 HB THR 32 HB THR 32 -3.603 2.780 -2.683 259 HG1 THR 32 HG1 THR 32 -1.583 1.765 -3.101 260 HG21 THR 32 3HG2 THR 32 -4.332 1.378 -4.256 261 HG22 THR 32 1HG2 THR 32 -2.818 1.515 -5.149 262 HG23 THR 32 2HG2 THR 32 -4.119 2.671 -5.436 263 H LEU 33 H LEU 33 -4.315 5.726 -5.880 264 HA LEU 33 HA LEU 33 -6.770 6.456 -4.837 265 HB2 LEU 33 1HB LEU 33 -5.512 6.892 -7.167 266 HB3 LEU 33 2HB LEU 33 -6.716 5.720 -7.699 267 HG LEU 33 HG LEU 33 -7.586 7.891 -8.123 268 HD11 LEU 33 1HD1 LEU 33 -8.822 6.693 -5.651 269 HD12 LEU 33 2HD1 LEU 33 -9.238 6.346 -7.329 270 HD13 LEU 33 3HD1 LEU 33 -9.581 7.936 -6.646 271 HD21 LEU 33 3HD2 LEU 33 -6.912 9.639 -6.935 272 HD22 LEU 33 1HD2 LEU 33 -6.186 8.575 -5.730 273 HD23 LEU 33 2HD2 LEU 33 -7.874 9.061 -5.573 274 H LEU 34 H LEU 34 -8.271 5.184 -3.982 275 HA LEU 34 HA LEU 34 -8.677 2.496 -5.072 276 HB2 LEU 34 1HB LEU 34 -8.494 3.382 -2.498 277 HB3 LEU 34 2HB LEU 34 -10.239 3.302 -2.727 278 HG LEU 34 HG LEU 34 -10.060 0.936 -3.309 279 HD11 LEU 34 1HD1 LEU 34 -7.942 0.757 -4.326 280 HD12 LEU 34 2HD1 LEU 34 -7.840 -0.185 -2.839 281 HD13 LEU 34 3HD1 LEU 34 -7.121 1.424 -2.915 282 HD21 LEU 34 3HD2 LEU 34 -8.865 1.858 -0.716 283 HD22 LEU 34 1HD2 LEU 34 -9.149 0.150 -1.052 284 HD23 LEU 34 2HD2 LEU 34 -10.501 1.283 -1.039 285 H ASN 35 H ASN 35 -10.332 5.542 -4.514 286 HA ASN 35 HA ASN 35 -12.360 4.788 -6.445 287 HB2 ASN 35 1HB ASN 35 -12.936 4.378 -3.783 288 HB3 ASN 35 2HB ASN 35 -13.603 5.982 -4.074 289 HD21 ASN 35 2HD2 ASN 35 -14.385 5.719 -6.711 290 HD22 ASN 35 1HD2 ASN 35 -15.680 4.578 -6.804 291 H SER 36 H SER 36 -12.439 6.436 -7.807 292 HA SER 36 HA SER 36 -12.110 9.164 -6.737 293 HB2 SER 36 1HB SER 36 -11.476 9.494 -9.338 294 HB3 SER 36 2HB SER 36 -10.282 9.102 -8.100 295 HG SER 36 HG SER 36 -11.392 7.484 -10.089 296 H THR 37 H THR 37 -14.568 7.553 -7.104 297 HA THR 37 HA THR 37 -16.038 8.287 -9.347 298 HB THR 37 HB THR 37 -16.809 6.602 -7.726 299 HG1 THR 37 HG1 THR 37 -19.042 7.413 -7.660 300 HG21 THR 37 3HG2 THR 37 -16.161 7.820 -5.675 301 HG22 THR 37 1HG2 THR 37 -17.833 7.264 -5.627 302 HG23 THR 37 2HG2 THR 37 -17.477 8.959 -5.958 303 H ASN 38 H ASN 38 -15.232 10.111 -6.489 304 HA ASN 38 HA ASN 38 -17.073 12.258 -7.226 305 HB2 ASN 38 1HB ASN 38 -15.757 11.390 -4.765 306 HB3 ASN 38 2HB ASN 38 -15.650 13.130 -5.019 307 HD21 ASN 38 2HD2 ASN 38 -17.469 14.372 -4.886 308 HD22 ASN 38 1HD2 ASN 38 -18.994 13.766 -4.346 309 H LYS 39 H LYS 39 -16.217 14.513 -7.150 310 HA LYS 39 HA LYS 39 -13.641 14.623 -8.557 311 HB2 LYS 39 1HB LYS 39 -14.421 16.843 -9.359 312 HB3 LYS 39 2HB LYS 39 -15.469 15.519 -9.850 313 HG2 LYS 39 1HG LYS 39 -17.000 16.088 -8.001 314 HG3 LYS 39 2HG LYS 39 -15.969 17.467 -7.608 315 HD2 LYS 39 1HD LYS 39 -17.635 18.408 -8.931 316 HD3 LYS 39 2HD LYS 39 -16.318 18.142 -10.076 317 HE2 LYS 39 1HE LYS 39 -18.361 16.004 -9.692 318 HE3 LYS 39 2HE LYS 39 -18.780 17.423 -10.650 319 HZ1 LYS 39 3HZ LYS 39 -16.350 16.718 -11.616 320 HZ2 LYS 39 1HZ LYS 39 -17.835 16.326 -12.325 321 HZ3 LYS 39 2HZ LYS 39 -17.065 15.216 -11.307 322 H ASP 40 H ASP 40 -15.374 15.798 -5.773 323 HA ASP 40 HA ASP 40 -13.232 17.646 -5.068 324 HB2 ASP 40 1HB ASP 40 -15.799 17.011 -3.598 325 HB3 ASP 40 2HB ASP 40 -14.681 18.317 -3.216 326 H TRP 41 H TRP 41 -14.868 14.816 -3.659 327 HA TRP 41 HA TRP 41 -12.594 14.474 -1.835 328 HB2 TRP 41 1HB TRP 41 -15.401 13.359 -1.791 329 HB3 TRP 41 2HB TRP 41 -14.134 12.822 -0.691 330 HD1 TRP 41 HD1 TRP 41 -16.785 15.387 -1.029 331 HE1 TRP 41 HE1 TRP 41 -16.590 17.132 0.853 332 HE3 TRP 41 HE3 TRP 41 -12.150 14.157 0.741 333 HZ2 TRP 41 HZ2 TRP 41 -14.718 17.888 2.825 334 HZ3 TRP 41 HZ3 TRP 41 -11.229 15.441 2.627 335 HH2 TRP 41 HH2 TRP 41 -12.488 17.268 3.646 336 H TRP 42 H TRP 42 -11.085 13.054 -2.371 337 HA TRP 42 HA TRP 42 -11.801 10.856 -4.193 338 HB2 TRP 42 1HB TRP 42 -9.339 12.501 -3.844 339 HB3 TRP 42 2HB TRP 42 -9.144 10.825 -4.350 340 HD1 TRP 42 HD1 TRP 42 -12.280 12.301 -5.707 341 HE1 TRP 42 HE1 TRP 42 -11.978 12.893 -8.193 342 HE3 TRP 42 HE3 TRP 42 -7.205 11.793 -6.051 343 HZ2 TRP 42 HZ2 TRP 42 -9.868 13.114 -10.054 344 HZ3 TRP 42 HZ3 TRP 42 -6.122 12.212 -8.220 345 HH2 TRP 42 HH2 TRP 42 -7.428 12.858 -10.179 346 H LYS 43 H LYS 43 -11.551 8.792 -3.569 347 HA LYS 43 HA LYS 43 -10.677 8.310 -0.824 348 HB2 LYS 43 1HB LYS 43 -11.885 6.287 -2.702 349 HB3 LYS 43 2HB LYS 43 -11.832 6.240 -0.945 350 HG2 LYS 43 1HG LYS 43 -13.349 8.198 -0.894 351 HG3 LYS 43 2HG LYS 43 -13.471 8.100 -2.653 352 HD2 LYS 43 1HD LYS 43 -14.100 5.586 -2.098 353 HD3 LYS 43 2HD LYS 43 -14.587 6.305 -0.561 354 HE2 LYS 43 1HE LYS 43 -15.532 7.162 -3.295 355 HE3 LYS 43 2HE LYS 43 -16.454 6.201 -2.140 356 HZ1 LYS 43 3HZ LYS 43 -16.384 8.950 -2.335 357 HZ2 LYS 43 1HZ LYS 43 -15.514 8.585 -0.931 358 HZ3 LYS 43 2HZ LYS 43 -17.103 8.034 -1.108 359 H VAL 44 H VAL 44 -8.602 7.853 -0.528 360 HA VAL 44 HA VAL 44 -7.247 6.144 -2.513 361 HB VAL 44 HB VAL 44 -5.122 7.281 -1.495 362 HG11 VAL 44 1HG1 VAL 44 -6.999 8.399 -3.543 363 HG12 VAL 44 2HG1 VAL 44 -5.473 9.207 -3.180 364 HG13 VAL 44 3HG1 VAL 44 -5.473 7.546 -3.776 365 HG21 VAL 44 3HG2 VAL 44 -7.216 9.394 -0.988 366 HG22 VAL 44 1HG2 VAL 44 -6.330 8.506 0.252 367 HG23 VAL 44 2HG2 VAL 44 -5.472 9.599 -0.834 368 H GLU 45 H GLU 45 -5.434 4.862 -1.620 369 HA GLU 45 HA GLU 45 -6.082 3.933 1.098 370 HB2 GLU 45 1HB GLU 45 -6.240 2.426 -1.074 371 HB3 GLU 45 2HB GLU 45 -4.511 2.255 -0.805 372 HG2 GLU 45 1HG GLU 45 -4.847 1.277 1.325 373 HG3 GLU 45 2HG GLU 45 -6.560 1.693 1.317 374 H VAL 46 H VAL 46 -4.541 3.895 2.634 375 HA VAL 46 HA VAL 46 -1.842 4.783 1.851 376 HB VAL 46 HB VAL 46 -1.602 5.629 4.158 377 HG11 VAL 46 1HG1 VAL 46 -2.361 7.107 2.349 378 HG12 VAL 46 2HG1 VAL 46 -4.036 6.710 2.740 379 HG13 VAL 46 3HG1 VAL 46 -3.036 7.572 3.910 380 HG21 VAL 46 3HG2 VAL 46 -4.549 5.169 4.515 381 HG22 VAL 46 1HG2 VAL 46 -3.347 3.999 5.061 382 HG23 VAL 46 2HG2 VAL 46 -3.351 5.634 5.723 383 H LYS 47 H LYS 47 -0.254 4.176 3.800 384 HA LYS 47 HA LYS 47 -0.692 1.362 4.524 385 HB2 LYS 47 1HB LYS 47 0.872 1.872 2.458 386 HB3 LYS 47 2HB LYS 47 2.044 2.250 3.713 387 HG2 LYS 47 1HG LYS 47 2.132 0.075 4.475 388 HG3 LYS 47 2HG LYS 47 0.551 -0.333 3.805 389 HD2 LYS 47 1HD LYS 47 1.716 0.132 1.516 390 HD3 LYS 47 2HD LYS 47 3.200 -0.131 2.435 391 HE2 LYS 47 1HE LYS 47 2.629 -2.341 2.942 392 HE3 LYS 47 2HE LYS 47 0.930 -2.088 2.547 393 HZ1 LYS 47 3HZ LYS 47 2.847 -1.687 0.391 394 HZ2 LYS 47 1HZ LYS 47 1.302 -2.378 0.353 395 HZ3 LYS 47 2HZ LYS 47 2.620 -3.282 0.908 396 H ILE 48 H ILE 48 -0.566 1.168 6.653 397 HA ILE 48 HA ILE 48 1.290 2.928 8.119 398 HB ILE 48 HB ILE 48 -1.323 1.778 9.107 399 HG12 ILE 48 1HG1 ILE 48 -1.700 4.395 9.311 400 HG13 ILE 48 2HG1 ILE 48 -0.513 4.436 8.013 401 HG21 ILE 48 1HG2 ILE 48 0.036 1.883 10.992 402 HG22 ILE 48 2HG2 ILE 48 0.848 3.348 10.444 403 HG23 ILE 48 3HG2 ILE 48 -0.817 3.426 11.020 404 HD11 ILE 48 3HD1 ILE 48 -2.955 2.712 7.852 405 HD12 ILE 48 1HD1 ILE 48 -2.976 4.410 7.375 406 HD13 ILE 48 2HD1 ILE 48 -1.908 3.275 6.549 407 H THR 49 H THR 49 2.933 1.902 9.025 408 HA THR 49 HA THR 49 2.828 -0.990 9.364 409 HB THR 49 HB THR 49 5.135 0.933 9.720 410 HG1 THR 49 HG1 THR 49 4.521 0.729 7.548 411 HG21 THR 49 3HG2 THR 49 5.644 -0.928 11.064 412 HG22 THR 49 1HG2 THR 49 6.459 -1.249 9.534 413 HG23 THR 49 2HG2 THR 49 4.940 -2.061 9.911 414 H VAL 50 H VAL 50 2.198 -1.838 11.228 415 HA VAL 50 HA VAL 50 2.869 -0.420 13.722 416 HB VAL 50 HB VAL 50 0.317 -1.947 13.184 417 HG11 VAL 50 1HG1 VAL 50 1.018 -2.197 15.482 418 HG12 VAL 50 2HG1 VAL 50 1.266 -0.455 15.628 419 HG13 VAL 50 3HG1 VAL 50 -0.360 -1.100 15.404 420 HG21 VAL 50 3HG2 VAL 50 -0.462 0.556 13.827 421 HG22 VAL 50 1HG2 VAL 50 1.044 0.899 12.976 422 HG23 VAL 50 2HG2 VAL 50 -0.236 -0.008 12.171 423 H ASN 51 H ASN 51 3.985 -1.592 15.139 424 HA ASN 51 HA ASN 51 5.097 -3.341 16.081 425 HB2 ASN 51 1HB ASN 51 2.622 -4.928 15.375 426 HB3 ASN 51 2HB ASN 51 3.777 -5.276 16.659 427 HD21 ASN 51 2HD2 ASN 51 1.120 -5.106 17.212 428 HD22 ASN 51 1HD2 ASN 51 0.800 -3.686 18.141 429 H GLY 52 H GLY 52 5.590 -2.875 13.301 430 HA2 GLY 52 1HA GLY 52 6.924 -3.877 11.703 431 HA3 GLY 52 2HA GLY 52 6.902 -5.345 12.668 432 H LYS 53 H LYS 53 3.863 -3.961 11.853 433 HA LYS 53 HA LYS 53 3.529 -5.914 9.674 434 HB2 LYS 53 1HB LYS 53 1.501 -5.250 11.817 435 HB3 LYS 53 2HB LYS 53 1.244 -6.344 10.464 436 HG2 LYS 53 1HG LYS 53 3.313 -6.741 12.615 437 HG3 LYS 53 2HG LYS 53 1.719 -7.500 12.592 438 HD2 LYS 53 1HD LYS 53 2.281 -8.558 10.439 439 HD3 LYS 53 2HD LYS 53 3.889 -7.834 10.519 440 HE2 LYS 53 1HE LYS 53 4.375 -9.071 12.545 441 HE3 LYS 53 2HE LYS 53 2.741 -9.732 12.564 442 HZ1 LYS 53 3HZ LYS 53 4.419 -10.169 10.196 443 HZ2 LYS 53 1HZ LYS 53 3.189 -11.139 10.837 444 HZ3 LYS 53 2HZ LYS 53 4.708 -11.099 11.580 445 H THR 54 H THR 54 3.103 -4.897 7.839 446 HA THR 54 HA THR 54 2.211 -2.173 7.780 447 HB THR 54 HB THR 54 1.997 -2.896 5.201 448 HG1 THR 54 HG1 THR 54 4.088 -4.584 6.070 449 HG21 THR 54 3HG2 THR 54 4.329 -2.196 4.926 450 HG22 THR 54 1HG2 THR 54 4.603 -2.419 6.653 451 HG23 THR 54 2HG2 THR 54 3.490 -1.172 6.090 452 H TYR 55 H TYR 55 0.202 -1.409 7.554 453 HA TYR 55 HA TYR 55 -1.930 -3.299 6.803 454 HB2 TYR 55 1HB TYR 55 -2.021 -1.153 8.932 455 HB3 TYR 55 2HB TYR 55 -3.423 -2.059 8.374 456 HD1 TYR 55 HD2 TYR 55 -3.520 -4.530 8.774 457 HD2 TYR 55 HD1 TYR 55 -0.523 -2.069 10.524 458 HE1 TYR 55 HE2 TYR 55 -3.043 -6.293 10.422 459 HE2 TYR 55 HE1 TYR 55 -0.036 -3.825 12.175 460 HH TYR 55 HH TYR 55 -0.497 -6.678 12.017 461 H GLU 56 H GLU 56 -3.624 -2.493 5.566 462 HA GLU 56 HA GLU 56 -3.126 0.153 4.369 463 HB2 GLU 56 1HB GLU 56 -4.486 -2.252 3.140 464 HB3 GLU 56 2HB GLU 56 -4.247 -0.699 2.352 465 HG2 GLU 56 1HG GLU 56 -2.464 -1.765 1.486 466 HG3 GLU 56 2HG GLU 56 -1.715 -1.228 2.988 467 H ARG 57 H ARG 57 -4.731 1.634 4.317 468 HA ARG 57 HA ARG 57 -7.446 0.822 5.043 469 HB2 ARG 57 1HB ARG 57 -7.633 2.642 6.683 470 HB3 ARG 57 2HB ARG 57 -6.404 1.475 7.150 471 HG2 ARG 57 1HG ARG 57 -4.676 2.999 6.244 472 HG3 ARG 57 2HG ARG 57 -5.944 4.184 5.924 473 HD2 ARG 57 1HD ARG 57 -6.483 3.717 8.484 474 HD3 ARG 57 2HD ARG 57 -4.771 3.292 8.501 475 HE ARG 57 HE ARG 57 -4.771 5.681 7.260 476 HH11 ARG 57 1HH1 ARG 57 -6.209 4.565 10.227 477 HH12 ARG 57 2HH1 ARG 57 -6.104 6.107 11.010 478 HH21 ARG 57 1HH2 ARG 57 -4.627 7.716 8.280 479 HH22 ARG 57 2HH2 ARG 57 -5.205 7.899 9.901 480 H GLN 58 H GLN 58 -9.050 2.522 4.619 481 HA GLN 58 HA GLN 58 -8.322 4.006 2.216 482 HB2 GLN 58 1HB GLN 58 -10.849 2.971 3.383 483 HB3 GLN 58 2HB GLN 58 -10.959 4.434 2.413 484 HG2 GLN 58 1HG GLN 58 -9.604 3.088 0.670 485 HG3 GLN 58 2HG GLN 58 -10.135 1.684 1.595 486 HE21 GLN 58 2HE2 GLN 58 -10.923 3.884 -0.819 487 HE22 GLN 58 1HE2 GLN 58 -12.587 3.464 -1.013 488 H GLY 59 H GLY 59 -8.486 6.208 1.999 489 HA2 GLY 59 1HA GLY 59 -9.373 7.754 4.334 490 HA3 GLY 59 2HA GLY 59 -7.749 8.017 3.715 491 H PHE 60 H PHE 60 -10.509 9.513 3.820 492 HA PHE 60 HA PHE 60 -10.808 10.180 1.003 493 HB2 PHE 60 1HB PHE 60 -12.294 11.321 3.376 494 HB3 PHE 60 2HB PHE 60 -12.747 11.453 1.680 495 HD1 PHE 60 HD1 PHE 60 -12.441 9.134 4.526 496 HD2 PHE 60 HD2 PHE 60 -13.933 9.722 0.584 497 HE1 PHE 60 HE1 PHE 60 -13.778 7.079 4.730 498 HE2 PHE 60 HE2 PHE 60 -15.274 7.669 0.781 499 HZ PHE 60 HZ PHE 60 -15.198 6.345 2.856 500 H VAL 61 H VAL 61 -9.818 11.837 0.067 501 HA VAL 61 HA VAL 61 -9.005 14.137 1.696 502 HB VAL 61 HB VAL 61 -6.848 14.211 0.359 503 HG11 VAL 61 1HG1 VAL 61 -7.392 12.079 2.407 504 HG12 VAL 61 2HG1 VAL 61 -5.767 12.433 1.815 505 HG13 VAL 61 3HG1 VAL 61 -6.695 13.680 2.650 506 HG21 VAL 61 3HG2 VAL 61 -7.694 12.488 -1.303 507 HG22 VAL 61 1HG2 VAL 61 -6.046 12.270 -0.713 508 HG23 VAL 61 2HG2 VAL 61 -7.352 11.276 -0.067 509 HA PRO 62 HA PRO 62 -10.512 16.573 -1.630 510 HB2 PRO 62 1HB PRO 62 -8.876 18.735 -1.489 511 HB3 PRO 62 2HB PRO 62 -10.141 18.409 -0.299 512 HG2 PRO 62 1HG PRO 62 -7.202 17.862 -0.139 513 HG3 PRO 62 2HG PRO 62 -8.287 18.521 1.100 514 HD2 PRO 62 1HD PRO 62 -7.504 15.929 1.078 515 HD3 PRO 62 2HD PRO 62 -9.095 16.441 1.678 516 H ALA 63 H ALA 63 -10.221 15.937 -3.676 517 HA ALA 63 HA ALA 63 -7.792 15.171 -4.836 518 HB1 ALA 63 1HB ALA 63 -10.195 14.679 -5.598 519 HB2 ALA 63 2HB ALA 63 -10.089 16.218 -6.452 520 HB3 ALA 63 3HB ALA 63 -8.962 14.917 -6.836 521 H ALA 64 H ALA 64 -9.369 18.288 -4.620 522 HA ALA 64 HA ALA 64 -7.927 19.661 -6.595 523 HB1 ALA 64 1HB ALA 64 -8.579 21.700 -5.395 524 HB2 ALA 64 2HB ALA 64 -9.932 20.584 -5.584 525 HB3 ALA 64 3HB ALA 64 -9.109 20.718 -4.030 526 H TYR 65 H TYR 65 -6.939 18.432 -3.569 527 HA TYR 65 HA TYR 65 -4.650 20.242 -3.391 528 HB2 TYR 65 1HB TYR 65 -5.817 18.188 -1.525 529 HB3 TYR 65 2HB TYR 65 -4.216 18.869 -1.258 530 HD1 TYR 65 HD2 TYR 65 -7.624 20.162 -2.118 531 HD2 TYR 65 HD1 TYR 65 -4.135 20.573 0.282 532 HE1 TYR 65 HE2 TYR 65 -8.640 22.091 -0.981 533 HE2 TYR 65 HE1 TYR 65 -5.142 22.503 1.426 534 HH TYR 65 HH TYR 65 -7.038 24.291 0.697 535 H VAL 66 H VAL 66 -5.478 17.195 -4.624 536 HA VAL 66 HA VAL 66 -2.629 16.459 -4.822 537 HB VAL 66 HB VAL 66 -3.227 14.128 -4.840 538 HG11 VAL 66 1HG1 VAL 66 -4.843 15.151 -2.552 539 HG12 VAL 66 2HG1 VAL 66 -3.629 13.870 -2.591 540 HG13 VAL 66 3HG1 VAL 66 -3.130 15.561 -2.651 541 HG21 VAL 66 3HG2 VAL 66 -5.224 13.481 -5.568 542 HG22 VAL 66 1HG2 VAL 66 -5.937 14.094 -4.076 543 HG23 VAL 66 2HG2 VAL 66 -5.823 15.138 -5.493 544 H LYS 67 H LYS 67 -2.626 14.555 -6.673 545 HA LYS 67 HA LYS 67 -4.256 15.169 -8.950 546 HB2 LYS 67 1HB LYS 67 -2.484 15.980 -10.408 547 HB3 LYS 67 2HB LYS 67 -2.668 17.051 -9.025 548 HG2 LYS 67 1HG LYS 67 -0.675 16.342 -8.054 549 HG3 LYS 67 2HG LYS 67 -0.617 14.870 -9.027 550 HD2 LYS 67 1HD LYS 67 -0.488 16.564 -11.024 551 HD3 LYS 67 2HD LYS 67 0.079 17.675 -9.776 552 HE2 LYS 67 1HE LYS 67 1.733 15.824 -9.147 553 HE3 LYS 67 2HE LYS 67 1.311 15.095 -10.696 554 HZ1 LYS 67 3HZ LYS 67 2.602 17.713 -10.205 555 HZ2 LYS 67 1HZ LYS 67 1.909 17.316 -11.697 556 HZ3 LYS 67 2HZ LYS 67 3.198 16.403 -11.094 557 H LYS 68 H LYS 68 -3.709 13.819 -10.823 558 HA LYS 68 HA LYS 68 -3.088 11.167 -10.033 559 HB2 LYS 68 1HB LYS 68 -4.540 12.123 -12.029 560 HB3 LYS 68 2HB LYS 68 -3.023 11.975 -12.907 561 HG2 LYS 68 1HG LYS 68 -2.961 9.653 -12.640 562 HG3 LYS 68 2HG LYS 68 -4.168 9.682 -11.352 563 HD2 LYS 68 1HD LYS 68 -5.225 8.864 -13.336 564 HD3 LYS 68 2HD LYS 68 -5.828 10.495 -13.034 565 HE2 LYS 68 1HE LYS 68 -3.464 10.118 -14.814 566 HE3 LYS 68 2HE LYS 68 -5.074 9.765 -15.438 567 HZ1 LYS 68 3HZ LYS 68 -3.831 12.286 -14.986 568 HZ2 LYS 68 1HZ LYS 68 -5.316 12.188 -14.180 569 HZ3 LYS 68 2HZ LYS 68 -5.240 11.925 -15.849 570 H LEU 69 H LEU 69 -1.250 10.001 -10.182 571 HA LEU 69 HA LEU 69 1.238 11.225 -10.245 572 HB2 LEU 69 1HB LEU 69 0.868 9.036 -9.268 573 HB3 LEU 69 2HB LEU 69 0.520 8.362 -10.859 574 HG LEU 69 HG LEU 69 2.811 8.625 -11.534 575 HD11 LEU 69 1HD1 LEU 69 4.508 9.489 -9.964 576 HD12 LEU 69 2HD1 LEU 69 3.215 9.965 -8.865 577 HD13 LEU 69 3HD1 LEU 69 3.340 10.715 -10.456 578 HD21 LEU 69 3HD2 LEU 69 3.936 7.219 -9.768 579 HD22 LEU 69 1HD2 LEU 69 2.416 6.584 -10.400 580 HD23 LEU 69 2HD2 LEU 69 2.454 7.370 -8.822 581 H ASP 70 H ASP 70 -0.747 10.082 -12.852 582 HA ASP 70 HA ASP 70 1.241 11.091 -14.756 583 HB2 ASP 70 1HB ASP 70 0.419 9.116 -16.268 584 HB3 ASP 70 2HB ASP 70 1.678 8.837 -15.068 Start of MODEL 4 1 H1 MET 1 H MET 1 5.240 1.231 -0.867 2 HA MET 1 HA MET 1 4.297 3.485 -2.351 3 HB2 MET 1 1HB MET 1 6.797 1.876 -2.252 4 HB3 MET 1 2HB MET 1 6.497 2.818 -3.706 5 HG2 MET 1 1HG MET 1 7.660 4.346 -2.501 6 HG3 MET 1 2HG MET 1 6.028 4.729 -1.956 7 HE1 MET 1 3HE MET 1 6.668 5.805 0.565 8 HE2 MET 1 1HE MET 1 8.227 5.294 1.212 9 HE3 MET 1 2HE MET 1 8.113 5.889 -0.444 10 H ASP 2 H ASP 2 4.781 0.056 -3.044 11 HA ASP 2 HA ASP 2 3.440 0.456 -5.638 12 HB2 ASP 2 1HB ASP 2 5.791 -0.427 -5.718 13 HB3 ASP 2 2HB ASP 2 5.224 -1.856 -4.857 14 H GLU 3 H GLU 3 1.716 0.383 -3.634 15 HA GLU 3 HA GLU 3 0.886 -2.046 -2.591 16 HB2 GLU 3 1HB GLU 3 -0.823 0.303 -3.429 17 HB3 GLU 3 2HB GLU 3 -1.349 -1.007 -2.381 18 HG2 GLU 3 1HG GLU 3 0.646 1.152 -1.826 19 HG3 GLU 3 2HG GLU 3 -0.810 0.729 -0.928 20 H THR 4 H THR 4 -0.839 -0.438 -5.258 21 HA THR 4 HA THR 4 -1.366 -3.105 -6.396 22 HB THR 4 HB THR 4 -3.423 -2.279 -7.308 23 HG1 THR 4 HG1 THR 4 -3.868 -0.186 -7.481 24 HG21 THR 4 3HG2 THR 4 -3.559 -2.970 -4.985 25 HG22 THR 4 1HG2 THR 4 -4.643 -1.608 -5.266 26 HG23 THR 4 2HG2 THR 4 -3.099 -1.354 -4.451 27 H GLY 5 H GLY 5 -0.353 0.183 -7.077 28 HA2 GLY 5 1HA GLY 5 0.824 1.052 -8.850 29 HA3 GLY 5 2HA GLY 5 1.139 -0.602 -9.356 30 H LYS 6 H LYS 6 -1.981 1.035 -8.999 31 HA LYS 6 HA LYS 6 -2.435 0.583 -11.876 32 HB2 LYS 6 1HB LYS 6 -4.185 0.276 -9.487 33 HB3 LYS 6 2HB LYS 6 -4.935 0.832 -10.978 34 HG2 LYS 6 1HG LYS 6 -5.101 -1.589 -10.719 35 HG3 LYS 6 2HG LYS 6 -4.153 -1.147 -12.141 36 HD2 LYS 6 1HD LYS 6 -2.106 -1.653 -11.024 37 HD3 LYS 6 2HD LYS 6 -2.931 -1.840 -9.474 38 HE2 LYS 6 1HE LYS 6 -2.322 -3.994 -10.553 39 HE3 LYS 6 2HE LYS 6 -4.048 -3.818 -10.241 40 HZ1 LYS 6 3HZ LYS 6 -2.952 -3.057 -12.864 41 HZ2 LYS 6 1HZ LYS 6 -4.515 -3.569 -12.465 42 HZ3 LYS 6 2HZ LYS 6 -3.247 -4.687 -12.522 43 H GLU 7 H GLU 7 -3.710 2.660 -9.265 44 HA GLU 7 HA GLU 7 -3.362 4.972 -11.042 45 HB2 GLU 7 1HB GLU 7 -5.859 4.171 -9.561 46 HB3 GLU 7 2HB GLU 7 -5.571 5.831 -10.062 47 HG2 GLU 7 1HG GLU 7 -6.863 4.976 -11.775 48 HG3 GLU 7 2HG GLU 7 -5.223 4.845 -12.407 49 H LEU 8 H LEU 8 -1.543 5.568 -9.828 50 HA LEU 8 HA LEU 8 -1.893 6.103 -6.985 51 HB2 LEU 8 1HB LEU 8 0.431 6.014 -8.854 52 HB3 LEU 8 2HB LEU 8 0.573 6.910 -7.343 53 HG LEU 8 HG LEU 8 -0.367 4.086 -7.231 54 HD11 LEU 8 1HD1 LEU 8 2.386 4.979 -7.970 55 HD12 LEU 8 2HD1 LEU 8 1.441 3.624 -8.587 56 HD13 LEU 8 3HD1 LEU 8 2.158 3.538 -6.977 57 HD21 LEU 8 3HD2 LEU 8 -0.068 4.442 -5.063 58 HD22 LEU 8 1HD2 LEU 8 0.416 6.101 -5.413 59 HD23 LEU 8 2HD2 LEU 8 1.632 4.826 -5.337 60 H VAL 9 H VAL 9 -1.735 8.133 -6.050 61 HA VAL 9 HA VAL 9 -1.771 10.426 -7.897 62 HB VAL 9 HB VAL 9 -3.415 11.522 -6.377 63 HG11 VAL 9 1HG1 VAL 9 -3.847 9.742 -8.429 64 HG12 VAL 9 2HG1 VAL 9 -4.925 9.158 -7.160 65 HG13 VAL 9 3HG1 VAL 9 -5.051 10.823 -7.728 66 HG21 VAL 9 3HG2 VAL 9 -4.580 10.314 -4.712 67 HG22 VAL 9 1HG2 VAL 9 -3.885 8.779 -5.234 68 HG23 VAL 9 2HG2 VAL 9 -2.869 9.982 -4.439 69 H LEU 10 H LEU 10 -0.733 12.268 -7.225 70 HA LEU 10 HA LEU 10 0.879 11.992 -4.782 71 HB2 LEU 10 1HB LEU 10 1.913 12.307 -7.122 72 HB3 LEU 10 2HB LEU 10 1.385 13.981 -6.968 73 HG LEU 10 HG LEU 10 3.068 12.797 -4.809 74 HD11 LEU 10 1HD1 LEU 10 5.069 13.629 -6.112 75 HD12 LEU 10 2HD1 LEU 10 4.027 13.625 -7.534 76 HD13 LEU 10 3HD1 LEU 10 4.346 12.121 -6.671 77 HD21 LEU 10 3HD2 LEU 10 2.141 15.403 -5.668 78 HD22 LEU 10 1HD2 LEU 10 3.892 15.361 -5.463 79 HD23 LEU 10 2HD2 LEU 10 2.838 14.903 -4.126 80 H ALA 11 H ALA 11 1.005 13.654 -3.286 81 HA ALA 11 HA ALA 11 -1.268 15.480 -3.301 82 HB1 ALA 11 1HB ALA 11 0.723 14.802 -1.140 83 HB2 ALA 11 2HB ALA 11 -0.640 15.905 -0.948 84 HB3 ALA 11 3HB ALA 11 -0.928 14.199 -1.286 85 H LEU 12 H LEU 12 -1.096 17.543 -3.864 86 HA LEU 12 HA LEU 12 1.523 18.685 -4.365 87 HB2 LEU 12 1HB LEU 12 -1.247 19.790 -4.810 88 HB3 LEU 12 2HB LEU 12 0.249 20.575 -5.310 89 HG LEU 12 HG LEU 12 -0.907 18.005 -6.380 90 HD11 LEU 12 1HD1 LEU 12 -2.016 19.559 -7.586 91 HD12 LEU 12 2HD1 LEU 12 -0.511 19.583 -8.505 92 HD13 LEU 12 3HD1 LEU 12 -0.816 20.816 -7.282 93 HD21 LEU 12 3HD2 LEU 12 1.018 17.952 -7.883 94 HD22 LEU 12 1HD2 LEU 12 1.520 17.817 -6.198 95 HD23 LEU 12 2HD2 LEU 12 1.710 19.347 -7.054 96 H TYR 13 H TYR 13 -1.218 19.179 -2.208 97 HA TYR 13 HA TYR 13 0.392 21.146 -0.717 98 HB2 TYR 13 1HB TYR 13 -2.623 20.922 -0.837 99 HB3 TYR 13 2HB TYR 13 -1.714 22.117 0.081 100 HD1 TYR 13 HD1 TYR 13 -2.470 20.954 -3.357 101 HD2 TYR 13 HD2 TYR 13 -0.967 24.111 -0.933 102 HE1 TYR 13 HE1 TYR 13 -2.479 22.450 -5.310 103 HE2 TYR 13 HE2 TYR 13 -0.972 25.616 -2.878 104 HH TYR 13 HH TYR 13 -0.886 25.421 -5.356 105 H ASP 14 H ASP 14 0.068 21.165 1.620 106 HA ASP 14 HA ASP 14 0.143 18.507 2.690 107 HB2 ASP 14 1HB ASP 14 0.392 19.764 4.896 108 HB3 ASP 14 2HB ASP 14 1.642 20.044 3.686 109 H TYR 15 H TYR 15 -1.270 17.548 4.147 110 HA TYR 15 HA TYR 15 -3.761 18.907 4.797 111 HB2 TYR 15 1HB TYR 15 -4.039 17.727 2.563 112 HB3 TYR 15 2HB TYR 15 -3.837 16.213 3.438 113 HD1 TYR 15 HD1 TYR 15 -5.926 19.300 3.390 114 HD2 TYR 15 HD2 TYR 15 -5.691 15.169 4.382 115 HE1 TYR 15 HE1 TYR 15 -8.326 19.298 3.924 116 HE2 TYR 15 HE2 TYR 15 -8.091 15.156 4.918 117 HH TYR 15 HH TYR 15 -10.048 18.111 4.661 118 H GLN 16 H GLN 16 -4.873 18.000 6.549 119 HA GLN 16 HA GLN 16 -3.415 15.879 7.983 120 HB2 GLN 16 1HB GLN 16 -3.943 16.973 10.081 121 HB3 GLN 16 2HB GLN 16 -3.095 18.095 9.026 122 HG2 GLN 16 1HG GLN 16 -6.086 18.053 9.205 123 HG3 GLN 16 2HG GLN 16 -5.094 18.972 10.337 124 HE21 GLN 16 2HE2 GLN 16 -6.552 18.916 7.287 125 HE22 GLN 16 1HE2 GLN 16 -5.888 20.387 6.670 126 H GLU 17 H GLU 17 -4.680 14.512 9.356 127 HA GLU 17 HA GLU 17 -7.380 14.122 8.314 128 HB2 GLU 17 1HB GLU 17 -7.258 11.907 9.141 129 HB3 GLU 17 2HB GLU 17 -5.679 12.247 8.447 130 HG2 GLU 17 1HG GLU 17 -4.866 12.778 10.743 131 HG3 GLU 17 2HG GLU 17 -6.419 12.217 11.361 132 H LYS 18 H LYS 18 -9.196 14.379 9.483 133 HA LYS 18 HA LYS 18 -8.883 15.243 12.282 134 HB2 LYS 18 1HB LYS 18 -11.033 16.452 11.955 135 HB3 LYS 18 2HB LYS 18 -9.739 17.034 10.915 136 HG2 LYS 18 1HG LYS 18 -10.682 16.090 9.007 137 HG3 LYS 18 2HG LYS 18 -11.708 14.999 9.941 138 HD2 LYS 18 1HD LYS 18 -12.753 17.209 10.849 139 HD3 LYS 18 2HD LYS 18 -12.039 17.923 9.401 140 HE2 LYS 18 1HE LYS 18 -13.629 15.426 9.109 141 HE3 LYS 18 2HE LYS 18 -14.493 16.934 9.404 142 HZ1 LYS 18 3HZ LYS 18 -13.798 17.824 7.417 143 HZ2 LYS 18 1HZ LYS 18 -13.991 16.198 6.993 144 HZ3 LYS 18 2HZ LYS 18 -12.446 16.815 7.294 145 H SER 19 H SER 19 -10.418 13.014 10.135 146 HA SER 19 HA SER 19 -11.849 11.833 12.425 147 HB2 SER 19 1HB SER 19 -12.930 11.174 9.777 148 HB3 SER 19 2HB SER 19 -13.771 11.658 11.249 149 HG SER 19 HG SER 19 -13.708 13.135 9.286 150 HA PRO 20 HA PRO 20 -9.804 8.029 11.662 151 HB2 PRO 20 1HB PRO 20 -11.762 6.206 12.125 152 HB3 PRO 20 2HB PRO 20 -10.999 7.144 13.414 153 HG2 PRO 20 1HG PRO 20 -13.615 7.602 12.033 154 HG3 PRO 20 2HG PRO 20 -13.225 7.718 13.760 155 HD2 PRO 20 1HD PRO 20 -13.419 9.894 12.161 156 HD3 PRO 20 2HD PRO 20 -12.303 9.819 13.539 157 H ARG 21 H ARG 21 -12.354 9.040 9.674 158 HA ARG 21 HA ARG 21 -12.197 6.737 7.894 159 HB2 ARG 21 1HB ARG 21 -14.012 9.066 8.202 160 HB3 ARG 21 2HB ARG 21 -13.813 8.428 6.575 161 HG2 ARG 21 1HG ARG 21 -14.629 6.788 8.964 162 HG3 ARG 21 2HG ARG 21 -15.746 7.479 7.785 163 HD2 ARG 21 1HD ARG 21 -15.510 5.476 6.780 164 HD3 ARG 21 2HD ARG 21 -14.037 6.201 6.138 165 HE ARG 21 HE ARG 21 -13.218 5.105 8.470 166 HH11 ARG 21 1HH1 ARG 21 -14.985 3.869 5.737 167 HH12 ARG 21 2HH1 ARG 21 -14.391 2.251 5.919 168 HH21 ARG 21 1HH2 ARG 21 -12.430 2.979 8.720 169 HH22 ARG 21 2HH2 ARG 21 -12.939 1.746 7.617 170 H GLU 22 H GLU 22 -11.038 9.998 8.166 171 HA GLU 22 HA GLU 22 -10.054 9.971 5.409 172 HB2 GLU 22 1HB GLU 22 -9.869 12.207 7.431 173 HB3 GLU 22 2HB GLU 22 -9.582 12.315 5.700 174 HG2 GLU 22 1HG GLU 22 -11.958 11.746 5.314 175 HG3 GLU 22 2HG GLU 22 -12.213 11.783 7.058 176 H VAL 23 H VAL 23 -7.832 10.472 4.951 177 HA VAL 23 HA VAL 23 -6.015 9.537 7.072 178 HB VAL 23 HB VAL 23 -4.451 9.023 5.135 179 HG11 VAL 23 1HG1 VAL 23 -6.200 7.475 6.422 180 HG12 VAL 23 2HG1 VAL 23 -6.853 7.326 4.789 181 HG13 VAL 23 3HG1 VAL 23 -5.180 6.873 5.116 182 HG21 VAL 23 3HG2 VAL 23 -5.502 8.682 2.944 183 HG22 VAL 23 1HG2 VAL 23 -7.002 9.373 3.564 184 HG23 VAL 23 2HG2 VAL 23 -5.557 10.375 3.437 185 H THR 24 H THR 24 -3.708 10.357 6.750 186 HA THR 24 HA THR 24 -3.832 13.258 6.277 187 HB THR 24 HB THR 24 -1.901 11.673 7.982 188 HG1 THR 24 HG1 THR 24 -3.162 12.228 9.614 189 HG21 THR 24 3HG2 THR 24 -1.641 14.258 6.804 190 HG22 THR 24 1HG2 THR 24 -0.538 13.432 7.904 191 HG23 THR 24 2HG2 THR 24 -1.828 14.449 8.546 192 H MET 25 H MET 25 -2.668 14.139 4.688 193 HA MET 25 HA MET 25 -0.445 12.589 3.545 194 HB2 MET 25 1HB MET 25 -1.150 13.509 1.296 195 HB3 MET 25 2HB MET 25 -2.207 12.283 1.983 196 HG2 MET 25 1HG MET 25 -3.657 14.143 2.827 197 HG3 MET 25 2HG MET 25 -2.664 15.249 1.881 198 HE1 MET 25 3HE MET 25 -5.625 15.354 -0.490 199 HE2 MET 25 1HE MET 25 -5.252 15.809 1.173 200 HE3 MET 25 2HE MET 25 -4.111 16.182 -0.119 201 H LYS 26 H LYS 26 1.217 13.827 2.552 202 HA LYS 26 HA LYS 26 1.174 16.701 3.183 203 HB2 LYS 26 1HB LYS 26 3.569 16.529 3.828 204 HB3 LYS 26 2HB LYS 26 2.494 15.653 4.909 205 HG2 LYS 26 1HG LYS 26 3.236 13.593 4.203 206 HG3 LYS 26 2HG LYS 26 3.791 14.210 2.645 207 HD2 LYS 26 1HD LYS 26 5.726 13.719 3.948 208 HD3 LYS 26 2HD LYS 26 5.567 15.476 3.885 209 HE2 LYS 26 1HE LYS 26 6.100 14.914 6.128 210 HE3 LYS 26 2HE LYS 26 4.390 15.342 6.103 211 HZ1 LYS 26 3HZ LYS 26 4.706 13.377 7.416 212 HZ2 LYS 26 1HZ LYS 26 5.522 12.598 6.155 213 HZ3 LYS 26 2HZ LYS 26 3.875 12.953 6.005 214 H LYS 27 H LYS 27 2.966 17.888 2.021 215 HA LYS 27 HA LYS 27 2.703 17.665 -0.714 216 HB2 LYS 27 1HB LYS 27 4.775 18.947 1.034 217 HB3 LYS 27 2HB LYS 27 4.983 18.944 -0.713 218 HG2 LYS 27 1HG LYS 27 3.874 20.892 -0.565 219 HG3 LYS 27 2HG LYS 27 2.457 19.839 -0.560 220 HD2 LYS 27 1HD LYS 27 2.204 20.010 1.768 221 HD3 LYS 27 2HD LYS 27 3.837 20.644 1.985 222 HE2 LYS 27 1HE LYS 27 1.588 22.078 0.576 223 HE3 LYS 27 2HE LYS 27 2.090 22.371 2.240 224 HZ1 LYS 27 3HZ LYS 27 3.339 23.945 1.253 225 HZ2 LYS 27 1HZ LYS 27 3.364 23.165 -0.249 226 HZ3 LYS 27 2HZ LYS 27 4.407 22.661 0.983 227 H GLY 28 H GLY 28 3.397 16.234 -2.155 228 HA2 GLY 28 1HA GLY 28 5.085 14.994 -3.263 229 HA3 GLY 28 2HA GLY 28 6.002 14.951 -1.764 230 H ASP 29 H ASP 29 3.485 14.174 -0.301 231 HA ASP 29 HA ASP 29 3.899 11.429 -0.187 232 HB2 ASP 29 1HB ASP 29 2.736 12.795 1.549 233 HB3 ASP 29 2HB ASP 29 1.329 12.871 0.492 234 H ILE 30 H ILE 30 2.943 9.660 -1.114 235 HA ILE 30 HA ILE 30 1.037 10.180 -3.299 236 HB ILE 30 HB ILE 30 3.209 8.086 -3.371 237 HG12 ILE 30 1HG1 ILE 30 3.088 10.731 -4.835 238 HG13 ILE 30 2HG1 ILE 30 4.124 10.395 -3.453 239 HG21 ILE 30 1HG2 ILE 30 2.107 8.876 -5.907 240 HG22 ILE 30 2HG2 ILE 30 2.188 7.277 -5.169 241 HG23 ILE 30 3HG2 ILE 30 0.830 8.344 -4.814 242 HD11 ILE 30 3HD1 ILE 30 5.626 9.975 -5.071 243 HD12 ILE 30 1HD1 ILE 30 4.861 8.386 -5.058 244 HD13 ILE 30 2HD1 ILE 30 4.392 9.581 -6.268 245 H LEU 31 H LEU 31 -0.745 8.950 -3.317 246 HA LEU 31 HA LEU 31 -0.809 6.586 -1.560 247 HB2 LEU 31 1HB LEU 31 -3.068 8.506 -2.104 248 HB3 LEU 31 2HB LEU 31 -3.137 7.085 -1.064 249 HG LEU 31 HG LEU 31 -2.953 8.837 0.441 250 HD11 LEU 31 1HD1 LEU 31 -0.028 8.488 0.208 251 HD12 LEU 31 2HD1 LEU 31 -0.993 7.023 0.383 252 HD13 LEU 31 3HD1 LEU 31 -1.090 8.293 1.602 253 HD21 LEU 31 3HD2 LEU 31 -0.661 10.302 -0.473 254 HD22 LEU 31 1HD2 LEU 31 -2.297 10.874 -0.147 255 HD23 LEU 31 2HD2 LEU 31 -1.887 10.239 -1.740 256 H THR 32 H THR 32 -2.808 5.181 -2.133 257 HA THR 32 HA THR 32 -2.710 4.729 -5.030 258 HB THR 32 HB THR 32 -3.632 2.862 -2.837 259 HG1 THR 32 HG1 THR 32 -1.291 2.606 -4.417 260 HG21 THR 32 3HG2 THR 32 -2.890 1.608 -5.316 261 HG22 THR 32 1HG2 THR 32 -4.155 2.804 -5.595 262 HG23 THR 32 2HG2 THR 32 -4.409 1.507 -4.427 263 H LEU 33 H LEU 33 -4.300 5.868 -5.988 264 HA LEU 33 HA LEU 33 -6.748 6.598 -4.899 265 HB2 LEU 33 1HB LEU 33 -5.510 7.241 -7.139 266 HB3 LEU 33 2HB LEU 33 -6.570 6.004 -7.811 267 HG LEU 33 HG LEU 33 -7.587 8.137 -8.157 268 HD11 LEU 33 1HD1 LEU 33 -9.142 6.391 -7.625 269 HD12 LEU 33 2HD1 LEU 33 -9.686 7.882 -6.856 270 HD13 LEU 33 3HD1 LEU 33 -8.893 6.633 -5.896 271 HD21 LEU 33 3HD2 LEU 33 -6.371 8.806 -5.716 272 HD22 LEU 33 1HD2 LEU 33 -8.110 8.969 -5.466 273 HD23 LEU 33 2HD2 LEU 33 -7.321 9.851 -6.774 274 H LEU 34 H LEU 34 -8.188 5.237 -4.058 275 HA LEU 34 HA LEU 34 -8.609 2.615 -5.253 276 HB2 LEU 34 1HB LEU 34 -8.518 3.392 -2.682 277 HB3 LEU 34 2HB LEU 34 -10.255 3.498 -2.965 278 HG LEU 34 HG LEU 34 -10.287 1.134 -3.614 279 HD11 LEU 34 1HD1 LEU 34 -8.128 0.795 -4.524 280 HD12 LEU 34 2HD1 LEU 34 -8.233 -0.222 -3.087 281 HD13 LEU 34 3HD1 LEU 34 -7.341 1.298 -3.027 282 HD21 LEU 34 3HD2 LEU 34 -9.362 2.054 -0.955 283 HD22 LEU 34 1HD2 LEU 34 -9.333 0.318 -1.263 284 HD23 LEU 34 2HD2 LEU 34 -10.844 1.214 -1.416 285 H ASN 35 H ASN 35 -10.476 5.532 -4.475 286 HA ASN 35 HA ASN 35 -12.348 4.822 -6.613 287 HB2 ASN 35 1HB ASN 35 -13.021 4.453 -3.968 288 HB3 ASN 35 2HB ASN 35 -13.665 6.058 -4.303 289 HD21 ASN 35 2HD2 ASN 35 -14.338 5.747 -6.976 290 HD22 ASN 35 1HD2 ASN 35 -15.644 4.622 -7.094 291 H SER 36 H SER 36 -12.441 6.456 -7.991 292 HA SER 36 HA SER 36 -12.071 9.192 -6.959 293 HB2 SER 36 1HB SER 36 -11.447 9.466 -9.575 294 HB3 SER 36 2HB SER 36 -10.253 9.100 -8.329 295 HG SER 36 HG SER 36 -10.479 7.705 -10.357 296 H THR 37 H THR 37 -14.549 7.588 -7.324 297 HA THR 37 HA THR 37 -16.009 8.342 -9.567 298 HB THR 37 HB THR 37 -16.794 6.654 -7.956 299 HG1 THR 37 HG1 THR 37 -19.021 7.474 -7.893 300 HG21 THR 37 3HG2 THR 37 -16.145 7.844 -5.895 301 HG22 THR 37 1HG2 THR 37 -17.828 7.319 -5.858 302 HG23 THR 37 2HG2 THR 37 -17.438 9.009 -6.178 303 H ASN 38 H ASN 38 -15.325 10.102 -6.611 304 HA ASN 38 HA ASN 38 -17.099 12.281 -7.386 305 HB2 ASN 38 1HB ASN 38 -16.494 11.283 -4.945 306 HB3 ASN 38 2HB ASN 38 -15.324 12.596 -5.038 307 HD21 ASN 38 2HD2 ASN 38 -17.267 12.641 -3.144 308 HD22 ASN 38 1HD2 ASN 38 -18.414 13.883 -3.500 309 H LYS 39 H LYS 39 -16.172 14.548 -7.115 310 HA LYS 39 HA LYS 39 -13.577 14.660 -8.500 311 HB2 LYS 39 1HB LYS 39 -14.316 16.862 -9.342 312 HB3 LYS 39 2HB LYS 39 -15.394 15.562 -9.832 313 HG2 LYS 39 1HG LYS 39 -17.028 16.206 -8.227 314 HG3 LYS 39 2HG LYS 39 -15.918 17.354 -7.475 315 HD2 LYS 39 1HD LYS 39 -17.491 18.549 -8.865 316 HD3 LYS 39 2HD LYS 39 -15.883 18.644 -9.585 317 HE2 LYS 39 1HE LYS 39 -17.452 18.205 -11.334 318 HE3 LYS 39 2HE LYS 39 -16.513 16.737 -11.064 319 HZ1 LYS 39 3HZ LYS 39 -18.913 16.873 -9.486 320 HZ2 LYS 39 1HZ LYS 39 -18.322 15.614 -10.449 321 HZ3 LYS 39 2HZ LYS 39 -19.211 16.870 -11.151 322 H ASP 40 H ASP 40 -15.354 15.689 -5.716 323 HA ASP 40 HA ASP 40 -13.284 17.597 -4.938 324 HB2 ASP 40 1HB ASP 40 -15.833 16.852 -3.489 325 HB3 ASP 40 2HB ASP 40 -14.773 18.209 -3.116 326 H TRP 41 H TRP 41 -14.895 14.726 -3.573 327 HA TRP 41 HA TRP 41 -12.613 14.374 -1.762 328 HB2 TRP 41 1HB TRP 41 -15.413 13.243 -1.737 329 HB3 TRP 41 2HB TRP 41 -14.142 12.678 -0.656 330 HD1 TRP 41 HD1 TRP 41 -16.803 15.237 -0.907 331 HE1 TRP 41 HE1 TRP 41 -16.600 16.938 1.015 332 HE3 TRP 41 HE3 TRP 41 -12.144 13.993 0.789 333 HZ2 TRP 41 HZ2 TRP 41 -14.714 17.657 2.988 334 HZ3 TRP 41 HZ3 TRP 41 -11.212 15.236 2.697 335 HH2 TRP 41 HH2 TRP 41 -12.472 17.030 3.772 336 H TRP 42 H TRP 42 -11.049 13.150 -2.587 337 HA TRP 42 HA TRP 42 -11.755 10.919 -4.353 338 HB2 TRP 42 1HB TRP 42 -9.323 12.600 -3.979 339 HB3 TRP 42 2HB TRP 42 -9.098 10.941 -4.525 340 HD1 TRP 42 HD1 TRP 42 -12.278 12.294 -5.854 341 HE1 TRP 42 HE1 TRP 42 -12.001 12.983 -8.318 342 HE3 TRP 42 HE3 TRP 42 -7.180 12.110 -6.179 343 HZ2 TRP 42 HZ2 TRP 42 -9.899 13.395 -10.157 344 HZ3 TRP 42 HZ3 TRP 42 -6.114 12.666 -8.326 345 HH2 TRP 42 HH2 TRP 42 -7.447 13.294 -10.273 346 H LYS 43 H LYS 43 -11.461 8.842 -3.789 347 HA LYS 43 HA LYS 43 -10.619 8.292 -1.056 348 HB2 LYS 43 1HB LYS 43 -11.961 6.619 -3.177 349 HB3 LYS 43 2HB LYS 43 -11.412 5.946 -1.647 350 HG2 LYS 43 1HG LYS 43 -13.663 6.384 -1.289 351 HG3 LYS 43 2HG LYS 43 -12.847 7.766 -0.553 352 HD2 LYS 43 1HD LYS 43 -13.586 9.223 -2.145 353 HD3 LYS 43 2HD LYS 43 -13.622 7.993 -3.410 354 HE2 LYS 43 1HE LYS 43 -15.561 7.014 -1.904 355 HE3 LYS 43 2HE LYS 43 -15.670 8.689 -1.364 356 HZ1 LYS 43 3HZ LYS 43 -16.697 9.241 -3.232 357 HZ2 LYS 43 1HZ LYS 43 -16.765 7.603 -3.650 358 HZ3 LYS 43 2HZ LYS 43 -15.479 8.560 -4.189 359 H VAL 44 H VAL 44 -8.630 7.654 -0.578 360 HA VAL 44 HA VAL 44 -7.092 6.165 -2.596 361 HB VAL 44 HB VAL 44 -5.049 7.386 -1.532 362 HG11 VAL 44 1HG1 VAL 44 -6.947 8.517 -3.563 363 HG12 VAL 44 2HG1 VAL 44 -5.411 9.303 -3.191 364 HG13 VAL 44 3HG1 VAL 44 -5.431 7.656 -3.825 365 HG21 VAL 44 3HG2 VAL 44 -6.320 8.524 0.223 366 HG22 VAL 44 1HG2 VAL 44 -5.517 9.679 -0.841 367 HG23 VAL 44 2HG2 VAL 44 -7.248 9.385 -1.005 368 H GLU 45 H GLU 45 -5.370 4.843 -1.716 369 HA GLU 45 HA GLU 45 -5.970 3.961 1.028 370 HB2 GLU 45 1HB GLU 45 -6.268 2.389 -1.010 371 HB3 GLU 45 2HB GLU 45 -4.512 2.299 -1.007 372 HG2 GLU 45 1HG GLU 45 -4.522 1.413 1.237 373 HG3 GLU 45 2HG GLU 45 -6.272 1.598 1.331 374 H VAL 46 H VAL 46 -4.388 3.868 2.532 375 HA VAL 46 HA VAL 46 -1.666 4.610 1.674 376 HB VAL 46 HB VAL 46 -1.352 5.822 3.737 377 HG11 VAL 46 1HG1 VAL 46 -2.855 6.682 1.663 378 HG12 VAL 46 2HG1 VAL 46 -3.974 6.939 3.003 379 HG13 VAL 46 3HG1 VAL 46 -2.380 7.695 3.025 380 HG21 VAL 46 3HG2 VAL 46 -2.719 4.436 5.202 381 HG22 VAL 46 1HG2 VAL 46 -3.174 6.134 5.346 382 HG23 VAL 46 2HG2 VAL 46 -4.183 5.026 4.415 383 H LYS 47 H LYS 47 0.013 4.001 3.353 384 HA LYS 47 HA LYS 47 -0.631 1.353 4.478 385 HB2 LYS 47 1HB LYS 47 1.045 1.652 2.457 386 HB3 LYS 47 2HB LYS 47 2.168 2.095 3.736 387 HG2 LYS 47 1HG LYS 47 2.573 -0.142 3.597 388 HG3 LYS 47 2HG LYS 47 1.302 -0.136 4.823 389 HD2 LYS 47 1HD LYS 47 -0.269 -1.002 3.393 390 HD3 LYS 47 2HD LYS 47 0.510 -0.330 1.959 391 HE2 LYS 47 1HE LYS 47 1.544 -2.643 3.597 392 HE3 LYS 47 2HE LYS 47 0.693 -2.780 2.059 393 HZ1 LYS 47 3HZ LYS 47 2.784 -2.793 1.261 394 HZ2 LYS 47 1HZ LYS 47 3.436 -1.985 2.597 395 HZ3 LYS 47 2HZ LYS 47 2.643 -1.112 1.385 396 H ILE 48 H ILE 48 -0.457 1.190 6.609 397 HA ILE 48 HA ILE 48 1.240 3.139 8.029 398 HB ILE 48 HB ILE 48 -1.241 1.798 9.106 399 HG12 ILE 48 1HG1 ILE 48 -1.841 4.441 9.015 400 HG13 ILE 48 2HG1 ILE 48 -0.827 4.300 7.584 401 HG21 ILE 48 1HG2 ILE 48 0.886 2.926 10.455 402 HG22 ILE 48 2HG2 ILE 48 -0.312 4.219 10.412 403 HG23 ILE 48 3HG2 ILE 48 -0.731 2.651 11.102 404 HD11 ILE 48 3HD1 ILE 48 -2.291 2.827 6.545 405 HD12 ILE 48 1HD1 ILE 48 -3.102 2.418 8.057 406 HD13 ILE 48 2HD1 ILE 48 -3.351 4.002 7.322 407 H THR 49 H THR 49 2.999 2.221 8.833 408 HA THR 49 HA THR 49 3.041 -0.634 9.402 409 HB THR 49 HB THR 49 5.267 1.412 9.486 410 HG1 THR 49 HG1 THR 49 5.300 1.049 7.410 411 HG21 THR 49 3HG2 THR 49 5.185 -1.527 10.048 412 HG22 THR 49 1HG2 THR 49 6.024 -0.246 10.921 413 HG23 THR 49 2HG2 THR 49 6.637 -0.800 9.363 414 H VAL 50 H VAL 50 2.237 -1.194 11.328 415 HA VAL 50 HA VAL 50 3.082 0.366 13.684 416 HB VAL 50 HB VAL 50 0.531 -1.224 13.373 417 HG11 VAL 50 1HG1 VAL 50 1.753 0.284 15.652 418 HG12 VAL 50 2HG1 VAL 50 0.002 0.102 15.528 419 HG13 VAL 50 3HG1 VAL 50 1.033 -1.325 15.637 420 HG21 VAL 50 3HG2 VAL 50 -0.431 0.597 12.537 421 HG22 VAL 50 1HG2 VAL 50 0.144 1.565 13.895 422 HG23 VAL 50 2HG2 VAL 50 1.155 1.365 12.464 423 H ASN 51 H ASN 51 4.348 -0.680 15.063 424 HA ASN 51 HA ASN 51 5.535 -2.346 16.064 425 HB2 ASN 51 1HB ASN 51 3.069 -4.057 15.808 426 HB3 ASN 51 2HB ASN 51 4.268 -4.049 17.099 427 HD21 ASN 51 2HD2 ASN 51 1.407 -3.801 17.312 428 HD22 ASN 51 1HD2 ASN 51 1.095 -2.280 18.069 429 H GLY 52 H GLY 52 6.008 -2.207 13.356 430 HA2 GLY 52 1HA GLY 52 7.069 -3.420 11.716 431 HA3 GLY 52 2HA GLY 52 7.096 -4.774 12.836 432 H LYS 53 H LYS 53 4.020 -3.414 12.174 433 HA LYS 53 HA LYS 53 3.443 -5.605 10.290 434 HB2 LYS 53 1HB LYS 53 1.469 -4.486 12.277 435 HB3 LYS 53 2HB LYS 53 1.307 -5.938 11.298 436 HG2 LYS 53 1HG LYS 53 3.486 -6.630 12.640 437 HG3 LYS 53 2HG LYS 53 2.808 -5.499 13.814 438 HD2 LYS 53 1HD LYS 53 1.896 -7.560 14.427 439 HD3 LYS 53 2HD LYS 53 0.612 -6.793 13.489 440 HE2 LYS 53 1HE LYS 53 0.942 -8.181 11.665 441 HE3 LYS 53 2HE LYS 53 2.593 -8.577 12.136 442 HZ1 LYS 53 3HZ LYS 53 0.429 -10.145 12.550 443 HZ2 LYS 53 1HZ LYS 53 0.623 -9.404 14.059 444 HZ3 LYS 53 2HZ LYS 53 1.899 -10.278 13.375 445 H THR 54 H THR 54 3.025 -4.804 8.348 446 HA THR 54 HA THR 54 2.226 -2.081 7.947 447 HB THR 54 HB THR 54 1.861 -3.180 5.505 448 HG1 THR 54 HG1 THR 54 3.058 -4.974 5.252 449 HG21 THR 54 3HG2 THR 54 4.162 -2.530 5.011 450 HG22 THR 54 1HG2 THR 54 4.541 -2.519 6.733 451 HG23 THR 54 2HG2 THR 54 3.397 -1.349 6.074 452 H TYR 55 H TYR 55 0.230 -1.293 7.878 453 HA TYR 55 HA TYR 55 -2.005 -3.180 7.521 454 HB2 TYR 55 1HB TYR 55 -1.824 -0.636 9.136 455 HB3 TYR 55 2HB TYR 55 -3.349 -1.437 8.777 456 HD1 TYR 55 HD1 TYR 55 -3.901 -3.582 9.802 457 HD2 TYR 55 HD2 TYR 55 -0.258 -1.585 10.719 458 HE1 TYR 55 HE1 TYR 55 -3.600 -5.042 11.759 459 HE2 TYR 55 HE2 TYR 55 0.054 -3.040 12.677 460 HH TYR 55 HH TYR 55 -1.029 -5.690 13.192 461 H GLU 56 H GLU 56 -3.782 -2.540 6.261 462 HA GLU 56 HA GLU 56 -3.232 -0.287 4.442 463 HB2 GLU 56 1HB GLU 56 -4.268 -3.040 3.943 464 HB3 GLU 56 2HB GLU 56 -4.861 -1.731 2.930 465 HG2 GLU 56 1HG GLU 56 -2.662 -1.226 2.165 466 HG3 GLU 56 2HG GLU 56 -1.943 -2.333 3.334 467 H ARG 57 H ARG 57 -4.899 1.090 3.900 468 HA ARG 57 HA ARG 57 -7.610 0.631 4.640 469 HB2 ARG 57 1HB ARG 57 -7.863 2.203 6.415 470 HB3 ARG 57 2HB ARG 57 -6.539 1.135 6.861 471 HG2 ARG 57 1HG ARG 57 -4.923 2.820 6.214 472 HG3 ARG 57 2HG ARG 57 -6.223 3.885 5.677 473 HD2 ARG 57 1HD ARG 57 -5.570 4.627 7.836 474 HD3 ARG 57 2HD ARG 57 -7.118 3.804 8.023 475 HE ARG 57 HE ARG 57 -5.158 1.907 8.480 476 HH11 ARG 57 1HH1 ARG 57 -6.190 4.921 9.884 477 HH12 ARG 57 2HH1 ARG 57 -5.677 4.501 11.485 478 HH21 ARG 57 1HH2 ARG 57 -4.478 1.343 10.583 479 HH22 ARG 57 2HH2 ARG 57 -4.702 2.466 11.881 480 H GLN 58 H GLN 58 -9.008 2.158 3.766 481 HA GLN 58 HA GLN 58 -7.723 4.093 1.965 482 HB2 GLN 58 1HB GLN 58 -9.586 3.900 0.523 483 HB3 GLN 58 2HB GLN 58 -9.206 2.258 1.024 484 HG2 GLN 58 1HG GLN 58 -11.014 2.307 2.640 485 HG3 GLN 58 2HG GLN 58 -11.376 3.976 2.205 486 HE21 GLN 58 2HE2 GLN 58 -11.252 3.945 -0.492 487 HE22 GLN 58 1HE2 GLN 58 -12.465 2.900 -1.141 488 H GLY 59 H GLY 59 -8.301 6.230 1.962 489 HA2 GLY 59 1HA GLY 59 -10.394 7.082 3.844 490 HA3 GLY 59 2HA GLY 59 -8.779 7.757 3.998 491 H PHE 60 H PHE 60 -11.133 9.266 3.540 492 HA PHE 60 HA PHE 60 -11.086 10.015 0.733 493 HB2 PHE 60 1HB PHE 60 -12.643 11.356 2.943 494 HB3 PHE 60 2HB PHE 60 -12.971 11.393 1.214 495 HD1 PHE 60 HD2 PHE 60 -13.087 9.317 4.248 496 HD2 PHE 60 HD1 PHE 60 -14.181 9.648 0.148 497 HE1 PHE 60 HE2 PHE 60 -14.602 7.395 4.500 498 HE2 PHE 60 HE1 PHE 60 -15.699 7.726 0.394 499 HZ PHE 60 HZ PHE 60 -15.909 6.596 2.572 500 H VAL 61 H VAL 61 -10.240 11.865 -0.096 501 HA VAL 61 HA VAL 61 -9.150 13.886 1.705 502 HB VAL 61 HB VAL 61 -6.997 13.880 0.331 503 HG11 VAL 61 1HG1 VAL 61 -5.997 12.075 1.723 504 HG12 VAL 61 2HG1 VAL 61 -6.991 13.212 2.636 505 HG13 VAL 61 3HG1 VAL 61 -7.625 11.618 2.222 506 HG21 VAL 61 3HG2 VAL 61 -6.363 11.699 -0.630 507 HG22 VAL 61 1HG2 VAL 61 -8.002 11.116 -0.339 508 HG23 VAL 61 2HG2 VAL 61 -7.724 12.436 -1.475 509 HA PRO 62 HA PRO 62 -10.435 16.698 -1.412 510 HB2 PRO 62 1HB PRO 62 -8.615 18.691 -1.118 511 HB3 PRO 62 2HB PRO 62 -9.902 18.385 0.054 512 HG2 PRO 62 1HG PRO 62 -7.023 17.572 0.147 513 HG3 PRO 62 2HG PRO 62 -8.044 18.225 1.442 514 HD2 PRO 62 1HD PRO 62 -7.492 15.584 1.214 515 HD3 PRO 62 2HD PRO 62 -9.031 16.185 1.864 516 H ALA 63 H ALA 63 -10.184 16.044 -3.473 517 HA ALA 63 HA ALA 63 -7.768 15.285 -4.682 518 HB1 ALA 63 1HB ALA 63 -8.972 15.020 -6.641 519 HB2 ALA 63 2HB ALA 63 -10.217 14.844 -5.403 520 HB3 ALA 63 3HB ALA 63 -10.054 16.366 -6.279 521 H ALA 64 H ALA 64 -9.292 18.394 -4.291 522 HA ALA 64 HA ALA 64 -7.890 19.810 -6.289 523 HB1 ALA 64 1HB ALA 64 -8.914 20.947 -3.695 524 HB2 ALA 64 2HB ALA 64 -8.655 21.796 -5.220 525 HB3 ALA 64 3HB ALA 64 -9.941 20.597 -5.086 526 H TYR 65 H TYR 65 -6.847 18.458 -3.361 527 HA TYR 65 HA TYR 65 -4.555 20.280 -3.166 528 HB2 TYR 65 1HB TYR 65 -5.898 18.411 -1.265 529 HB3 TYR 65 2HB TYR 65 -4.184 18.742 -1.040 530 HD1 TYR 65 HD2 TYR 65 -6.850 21.060 -2.207 531 HD2 TYR 65 HD1 TYR 65 -4.134 20.040 0.905 532 HE1 TYR 65 HE2 TYR 65 -7.413 23.150 -1.039 533 HE2 TYR 65 HE1 TYR 65 -4.690 22.127 2.082 534 HH TYR 65 HH TYR 65 -5.593 24.420 1.437 535 H VAL 66 H VAL 66 -5.388 17.420 -4.612 536 HA VAL 66 HA VAL 66 -2.572 16.578 -4.736 537 HB VAL 66 HB VAL 66 -3.193 14.245 -4.729 538 HG11 VAL 66 1HG1 VAL 66 -4.756 15.106 -2.386 539 HG12 VAL 66 2HG1 VAL 66 -3.327 14.075 -2.484 540 HG13 VAL 66 3HG1 VAL 66 -3.156 15.830 -2.546 541 HG21 VAL 66 3HG2 VAL 66 -5.814 15.296 -5.262 542 HG22 VAL 66 1HG2 VAL 66 -5.219 13.643 -5.416 543 HG23 VAL 66 2HG2 VAL 66 -5.861 14.209 -3.874 544 H LYS 67 H LYS 67 -2.502 14.742 -6.582 545 HA LYS 67 HA LYS 67 -4.155 15.500 -8.859 546 HB2 LYS 67 1HB LYS 67 -1.166 15.851 -8.743 547 HB3 LYS 67 2HB LYS 67 -2.021 15.667 -10.269 548 HG2 LYS 67 1HG LYS 67 -2.758 17.783 -8.273 549 HG3 LYS 67 2HG LYS 67 -1.512 18.030 -9.498 550 HD2 LYS 67 1HD LYS 67 -3.094 18.564 -10.964 551 HD3 LYS 67 2HD LYS 67 -3.760 16.936 -10.812 552 HE2 LYS 67 1HE LYS 67 -5.427 17.603 -9.427 553 HE3 LYS 67 2HE LYS 67 -4.442 18.849 -8.664 554 HZ1 LYS 67 3HZ LYS 67 -4.886 19.530 -11.359 555 HZ2 LYS 67 1HZ LYS 67 -5.367 20.361 -9.965 556 HZ3 LYS 67 2HZ LYS 67 -6.374 19.178 -10.635 557 H LYS 68 H LYS 68 -4.183 13.956 -10.533 558 HA LYS 68 HA LYS 68 -3.533 11.279 -9.645 559 HB2 LYS 68 1HB LYS 68 -5.666 12.148 -10.934 560 HB3 LYS 68 2HB LYS 68 -4.663 11.860 -12.351 561 HG2 LYS 68 1HG LYS 68 -4.819 9.678 -10.362 562 HG3 LYS 68 2HG LYS 68 -6.271 10.011 -11.309 563 HD2 LYS 68 1HD LYS 68 -3.675 9.830 -12.747 564 HD3 LYS 68 2HD LYS 68 -4.401 8.333 -12.155 565 HE2 LYS 68 1HE LYS 68 -5.976 10.325 -13.757 566 HE3 LYS 68 2HE LYS 68 -4.980 9.096 -14.535 567 HZ1 LYS 68 3HZ LYS 68 -7.558 8.831 -13.432 568 HZ2 LYS 68 1HZ LYS 68 -6.499 7.808 -12.599 569 HZ3 LYS 68 2HZ LYS 68 -6.648 7.685 -14.280 570 H LEU 69 H LEU 69 -1.934 10.006 -10.392 571 HA LEU 69 HA LEU 69 0.137 11.206 -11.985 572 HB2 LEU 69 1HB LEU 69 0.539 9.690 -10.040 573 HB3 LEU 69 2HB LEU 69 -0.074 8.360 -11.020 574 HG LEU 69 HG LEU 69 1.849 9.198 -12.658 575 HD11 LEU 69 1HD1 LEU 69 2.306 10.929 -10.654 576 HD12 LEU 69 2HD1 LEU 69 3.564 10.332 -11.736 577 HD13 LEU 69 3HD1 LEU 69 3.343 9.595 -10.150 578 HD21 LEU 69 3HD2 LEU 69 3.289 7.636 -10.887 579 HD22 LEU 69 1HD2 LEU 69 2.280 7.059 -12.213 580 HD23 LEU 69 2HD2 LEU 69 1.610 7.182 -10.586 581 H ASP 70 H ASP 70 -1.841 8.258 -12.344 582 HA ASP 70 HA ASP 70 -2.385 8.701 -15.077 583 HB2 ASP 70 1HB ASP 70 -0.984 7.083 -16.150 584 HB3 ASP 70 2HB ASP 70 0.065 8.135 -15.203 Start of MODEL 5 1 H1 MET 1 H MET 1 0.894 -10.186 -3.895 2 HA MET 1 HA MET 1 -0.341 -8.027 -3.366 3 HB2 MET 1 1HB MET 1 1.070 -7.494 -1.367 4 HB3 MET 1 2HB MET 1 0.643 -9.193 -1.519 5 HG2 MET 1 1HG MET 1 2.800 -9.805 -2.150 6 HG3 MET 1 2HG MET 1 3.247 -8.150 -2.559 7 HE1 MET 1 3HE MET 1 5.435 -7.471 0.305 8 HE2 MET 1 1HE MET 1 5.376 -7.989 -1.380 9 HE3 MET 1 2HE MET 1 4.494 -6.549 -0.869 10 H ASP 2 H ASP 2 0.907 -7.402 -5.794 11 HA ASP 2 HA ASP 2 2.230 -4.856 -5.116 12 HB2 ASP 2 1HB ASP 2 3.726 -6.565 -6.218 13 HB3 ASP 2 2HB ASP 2 2.698 -6.445 -7.643 14 H GLU 3 H GLU 3 -0.371 -4.654 -5.124 15 HA GLU 3 HA GLU 3 -1.230 -3.883 -7.823 16 HB2 GLU 3 1HB GLU 3 -3.510 -3.739 -6.752 17 HB3 GLU 3 2HB GLU 3 -2.800 -5.346 -6.801 18 HG2 GLU 3 1HG GLU 3 -2.281 -5.294 -4.500 19 HG3 GLU 3 2HG GLU 3 -2.611 -3.566 -4.391 20 H THR 4 H THR 4 0.599 -2.169 -6.841 21 HA THR 4 HA THR 4 -1.000 0.158 -5.989 22 HB THR 4 HB THR 4 0.475 -0.303 -4.191 23 HG1 THR 4 HG1 THR 4 0.514 1.925 -5.313 24 HG21 THR 4 3HG2 THR 4 1.978 -1.841 -5.395 25 HG22 THR 4 1HG2 THR 4 2.871 -0.651 -4.450 26 HG23 THR 4 2HG2 THR 4 2.728 -0.461 -6.197 27 H GLY 5 H GLY 5 0.825 -1.197 -8.457 28 HA2 GLY 5 1HA GLY 5 1.771 1.361 -9.508 29 HA3 GLY 5 2HA GLY 5 2.122 -0.228 -10.171 30 H LYS 6 H LYS 6 -1.095 0.912 -9.344 31 HA LYS 6 HA LYS 6 -1.814 0.703 -12.186 32 HB2 LYS 6 1HB LYS 6 -3.571 0.577 -9.728 33 HB3 LYS 6 2HB LYS 6 -4.131 0.412 -11.387 34 HG2 LYS 6 1HG LYS 6 -2.265 -1.450 -9.932 35 HG3 LYS 6 2HG LYS 6 -3.951 -1.758 -10.354 36 HD2 LYS 6 1HD LYS 6 -3.165 -1.309 -12.784 37 HD3 LYS 6 2HD LYS 6 -1.549 -1.603 -12.138 38 HE2 LYS 6 1HE LYS 6 -3.844 -3.517 -11.775 39 HE3 LYS 6 2HE LYS 6 -2.726 -3.603 -13.135 40 HZ1 LYS 6 3HZ LYS 6 -1.373 -4.767 -11.848 41 HZ2 LYS 6 1HZ LYS 6 -2.388 -4.573 -10.509 42 HZ3 LYS 6 2HZ LYS 6 -1.187 -3.427 -10.832 43 H GLU 7 H GLU 7 -3.198 2.484 -9.428 44 HA GLU 7 HA GLU 7 -2.980 4.957 -11.003 45 HB2 GLU 7 1HB GLU 7 -5.253 5.576 -10.001 46 HB3 GLU 7 2HB GLU 7 -5.241 4.412 -11.319 47 HG2 GLU 7 1HG GLU 7 -5.373 2.591 -9.644 48 HG3 GLU 7 2HG GLU 7 -5.530 3.814 -8.385 49 H LEU 8 H LEU 8 -1.433 5.961 -9.833 50 HA LEU 8 HA LEU 8 -1.861 6.215 -6.931 51 HB2 LEU 8 1HB LEU 8 0.630 6.288 -8.605 52 HB3 LEU 8 2HB LEU 8 0.596 6.916 -6.959 53 HG LEU 8 HG LEU 8 -0.285 4.108 -7.472 54 HD11 LEU 8 1HD1 LEU 8 1.803 4.203 -8.654 55 HD12 LEU 8 2HD1 LEU 8 2.056 3.375 -7.118 56 HD13 LEU 8 3HD1 LEU 8 2.573 5.050 -7.313 57 HD21 LEU 8 3HD2 LEU 8 -0.418 4.155 -5.258 58 HD22 LEU 8 1HD2 LEU 8 0.236 5.793 -5.219 59 HD23 LEU 8 2HD2 LEU 8 1.326 4.407 -5.183 60 H VAL 9 H VAL 9 -1.961 8.206 -5.997 61 HA VAL 9 HA VAL 9 -1.853 10.522 -7.820 62 HB VAL 9 HB VAL 9 -3.478 11.605 -6.229 63 HG11 VAL 9 1HG1 VAL 9 -4.728 9.146 -7.378 64 HG12 VAL 9 2HG1 VAL 9 -5.315 10.810 -7.383 65 HG13 VAL 9 3HG1 VAL 9 -3.987 10.339 -8.444 66 HG21 VAL 9 3HG2 VAL 9 -4.518 9.063 -5.268 67 HG22 VAL 9 1HG2 VAL 9 -2.914 9.432 -4.633 68 HG23 VAL 9 2HG2 VAL 9 -4.238 10.573 -4.399 69 H LEU 10 H LEU 10 -0.621 12.226 -7.256 70 HA LEU 10 HA LEU 10 0.927 11.995 -4.781 71 HB2 LEU 10 1HB LEU 10 1.976 12.270 -7.100 72 HB3 LEU 10 2HB LEU 10 1.430 13.943 -7.009 73 HG LEU 10 HG LEU 10 3.118 12.847 -4.806 74 HD11 LEU 10 1HD1 LEU 10 4.542 12.171 -6.475 75 HD12 LEU 10 2HD1 LEU 10 5.056 13.842 -6.250 76 HD13 LEU 10 3HD1 LEU 10 3.999 13.419 -7.596 77 HD21 LEU 10 3HD2 LEU 10 3.192 14.981 -4.195 78 HD22 LEU 10 1HD2 LEU 10 2.001 15.322 -5.450 79 HD23 LEU 10 2HD2 LEU 10 3.721 15.482 -5.802 80 H ALA 11 H ALA 11 1.040 13.625 -3.267 81 HA ALA 11 HA ALA 11 -1.203 15.475 -3.265 82 HB1 ALA 11 1HB ALA 11 -0.192 15.993 -0.926 83 HB2 ALA 11 2HB ALA 11 -1.028 14.463 -1.198 84 HB3 ALA 11 3HB ALA 11 0.735 14.518 -1.203 85 H LEU 12 H LEU 12 -0.995 17.437 -4.102 86 HA LEU 12 HA LEU 12 1.595 18.602 -4.581 87 HB2 LEU 12 1HB LEU 12 -1.160 19.750 -5.007 88 HB3 LEU 12 2HB LEU 12 0.348 20.425 -5.621 89 HG LEU 12 HG LEU 12 -0.822 17.763 -6.429 90 HD11 LEU 12 1HD1 LEU 12 -0.877 19.237 -8.659 91 HD12 LEU 12 2HD1 LEU 12 -1.141 20.510 -7.469 92 HD13 LEU 12 3HD1 LEU 12 -2.237 19.131 -7.541 93 HD21 LEU 12 3HD2 LEU 12 1.353 17.419 -6.940 94 HD22 LEU 12 1HD2 LEU 12 1.736 19.140 -6.960 95 HD23 LEU 12 2HD2 LEU 12 0.943 18.398 -8.349 96 H TYR 13 H TYR 13 -1.060 19.061 -2.339 97 HA TYR 13 HA TYR 13 0.534 21.122 -0.961 98 HB2 TYR 13 1HB TYR 13 -2.479 20.855 -0.972 99 HB3 TYR 13 2HB TYR 13 -1.548 22.109 -0.160 100 HD1 TYR 13 HD1 TYR 13 -2.512 20.776 -3.474 101 HD2 TYR 13 HD2 TYR 13 -0.798 24.029 -1.333 102 HE1 TYR 13 HE1 TYR 13 -2.626 22.163 -5.502 103 HE2 TYR 13 HE2 TYR 13 -0.908 25.425 -3.355 104 HH TYR 13 HH TYR 13 -1.494 25.532 -5.489 105 H ASP 14 H ASP 14 -0.056 21.274 1.421 106 HA ASP 14 HA ASP 14 0.151 18.608 2.549 107 HB2 ASP 14 1HB ASP 14 0.694 19.752 4.641 108 HB3 ASP 14 2HB ASP 14 1.673 20.382 3.319 109 H TYR 15 H TYR 15 -1.309 17.641 3.891 110 HA TYR 15 HA TYR 15 -3.741 19.099 4.610 111 HB2 TYR 15 1HB TYR 15 -4.125 17.890 2.440 112 HB3 TYR 15 2HB TYR 15 -3.831 16.379 3.294 113 HD1 TYR 15 HD1 TYR 15 -5.918 19.456 3.746 114 HD2 TYR 15 HD2 TYR 15 -5.704 15.211 3.941 115 HE1 TYR 15 HE1 TYR 15 -8.288 19.372 4.397 116 HE2 TYR 15 HE2 TYR 15 -8.073 15.115 4.592 117 HH TYR 15 HH TYR 15 -9.756 17.571 5.773 118 H GLN 16 H GLN 16 -5.026 17.995 6.251 119 HA GLN 16 HA GLN 16 -3.508 16.006 7.794 120 HB2 GLN 16 1HB GLN 16 -4.127 17.154 9.875 121 HB3 GLN 16 2HB GLN 16 -3.145 18.180 8.838 122 HG2 GLN 16 1HG GLN 16 -6.135 18.348 8.827 123 HG3 GLN 16 2HG GLN 16 -5.161 19.221 10.009 124 HE21 GLN 16 2HE2 GLN 16 -6.426 19.213 6.880 125 HE22 GLN 16 1HE2 GLN 16 -5.614 20.615 6.280 126 H GLU 17 H GLU 17 -4.729 14.530 8.978 127 HA GLU 17 HA GLU 17 -7.410 14.124 7.977 128 HB2 GLU 17 1HB GLU 17 -7.301 11.970 8.962 129 HB3 GLU 17 2HB GLU 17 -5.703 12.284 8.299 130 HG2 GLU 17 1HG GLU 17 -5.080 11.484 10.315 131 HG3 GLU 17 2HG GLU 17 -5.278 13.178 10.759 132 H LYS 18 H LYS 18 -9.279 14.436 9.042 133 HA LYS 18 HA LYS 18 -9.103 15.521 11.773 134 HB2 LYS 18 1HB LYS 18 -11.189 16.690 11.314 135 HB3 LYS 18 2HB LYS 18 -9.988 17.086 10.091 136 HG2 LYS 18 1HG LYS 18 -11.082 15.254 8.684 137 HG3 LYS 18 2HG LYS 18 -12.413 15.343 9.839 138 HD2 LYS 18 1HD LYS 18 -12.207 17.930 9.338 139 HD3 LYS 18 2HD LYS 18 -11.491 17.342 7.835 140 HE2 LYS 18 1HE LYS 18 -13.624 15.767 7.879 141 HE3 LYS 18 2HE LYS 18 -14.272 17.085 8.854 142 HZ1 LYS 18 3HZ LYS 18 -12.935 17.734 6.326 143 HZ2 LYS 18 1HZ LYS 18 -14.201 18.536 7.112 144 HZ3 LYS 18 2HZ LYS 18 -14.502 17.100 6.270 145 H SER 19 H SER 19 -10.476 13.047 9.787 146 HA SER 19 HA SER 19 -11.941 12.014 12.127 147 HB2 SER 19 1HB SER 19 -12.853 11.057 9.500 148 HB3 SER 19 2HB SER 19 -13.791 11.605 10.889 149 HG SER 19 HG SER 19 -13.535 12.906 8.720 150 HA PRO 20 HA PRO 20 -9.686 8.264 11.839 151 HB2 PRO 20 1HB PRO 20 -11.576 6.397 12.396 152 HB3 PRO 20 2HB PRO 20 -10.921 7.494 13.617 153 HG2 PRO 20 1HG PRO 20 -13.485 7.680 12.084 154 HG3 PRO 20 2HG PRO 20 -13.186 7.984 13.805 155 HD2 PRO 20 1HD PRO 20 -13.404 9.980 11.989 156 HD3 PRO 20 2HD PRO 20 -12.354 10.098 13.416 157 H ARG 21 H ARG 21 -12.198 8.931 9.658 158 HA ARG 21 HA ARG 21 -11.773 6.491 8.106 159 HB2 ARG 21 1HB ARG 21 -13.870 8.561 8.249 160 HB3 ARG 21 2HB ARG 21 -13.524 7.959 6.634 161 HG2 ARG 21 1HG ARG 21 -14.070 5.735 7.249 162 HG3 ARG 21 2HG ARG 21 -14.127 6.158 8.962 163 HD2 ARG 21 1HD ARG 21 -15.944 7.495 6.992 164 HD3 ARG 21 2HD ARG 21 -16.343 5.908 7.647 165 HE ARG 21 HE ARG 21 -16.460 8.430 9.019 166 HH11 ARG 21 1HH1 ARG 21 -16.147 4.983 9.387 167 HH12 ARG 21 2HH1 ARG 21 -16.752 4.969 11.010 168 HH21 ARG 21 1HH2 ARG 21 -17.258 8.426 11.156 169 HH22 ARG 21 2HH2 ARG 21 -17.385 6.928 12.015 170 H GLU 22 H GLU 22 -10.940 9.849 8.146 171 HA GLU 22 HA GLU 22 -10.028 9.826 5.382 172 HB2 GLU 22 1HB GLU 22 -9.955 11.986 7.495 173 HB3 GLU 22 2HB GLU 22 -9.395 12.191 5.842 174 HG2 GLU 22 1HG GLU 22 -11.761 11.478 5.161 175 HG3 GLU 22 2HG GLU 22 -12.188 11.798 6.841 176 H VAL 23 H VAL 23 -7.833 10.419 4.822 177 HA VAL 23 HA VAL 23 -5.883 9.494 6.832 178 HB VAL 23 HB VAL 23 -4.447 8.923 4.810 179 HG11 VAL 23 1HG1 VAL 23 -6.844 7.193 4.682 180 HG12 VAL 23 2HG1 VAL 23 -5.149 6.771 4.935 181 HG13 VAL 23 3HG1 VAL 23 -6.106 7.416 6.269 182 HG21 VAL 23 3HG2 VAL 23 -7.104 9.192 3.406 183 HG22 VAL 23 1HG2 VAL 23 -5.683 10.205 3.148 184 HG23 VAL 23 2HG2 VAL 23 -5.640 8.497 2.711 185 H THR 24 H THR 24 -3.867 10.535 6.940 186 HA THR 24 HA THR 24 -3.959 13.331 6.139 187 HB THR 24 HB THR 24 -1.970 11.852 7.872 188 HG1 THR 24 HG1 THR 24 -3.179 12.514 9.525 189 HG21 THR 24 3HG2 THR 24 -1.833 14.566 8.434 190 HG22 THR 24 1HG2 THR 24 -1.909 14.496 6.674 191 HG23 THR 24 2HG2 THR 24 -0.644 13.621 7.538 192 H MET 25 H MET 25 -2.694 14.260 4.628 193 HA MET 25 HA MET 25 -0.506 12.687 3.466 194 HB2 MET 25 1HB MET 25 -1.233 13.511 1.197 195 HB3 MET 25 2HB MET 25 -2.289 12.313 1.933 196 HG2 MET 25 1HG MET 25 -3.723 14.222 2.720 197 HG3 MET 25 2HG MET 25 -2.743 15.271 1.698 198 HE1 MET 25 3HE MET 25 -4.171 16.061 -0.436 199 HE2 MET 25 1HE MET 25 -5.739 15.272 -0.610 200 HE3 MET 25 2HE MET 25 -5.227 15.877 0.965 201 H LYS 26 H LYS 26 1.104 13.941 2.374 202 HA LYS 26 HA LYS 26 1.007 16.831 2.884 203 HB2 LYS 26 1HB LYS 26 3.147 14.901 3.749 204 HB3 LYS 26 2HB LYS 26 3.506 16.603 3.490 205 HG2 LYS 26 1HG LYS 26 1.672 17.128 5.129 206 HG3 LYS 26 2HG LYS 26 1.618 15.403 5.498 207 HD2 LYS 26 1HD LYS 26 4.140 17.040 5.671 208 HD3 LYS 26 2HD LYS 26 3.039 16.824 7.034 209 HE2 LYS 26 1HE LYS 26 3.321 14.275 6.385 210 HE3 LYS 26 2HE LYS 26 4.837 14.863 5.704 211 HZ1 LYS 26 3HZ LYS 26 4.352 14.221 8.332 212 HZ2 LYS 26 1HZ LYS 26 4.409 15.912 8.310 213 HZ3 LYS 26 2HZ LYS 26 5.715 15.014 7.720 214 H LYS 27 H LYS 27 2.921 17.938 1.761 215 HA LYS 27 HA LYS 27 2.746 17.576 -0.975 216 HB2 LYS 27 1HB LYS 27 4.774 18.932 0.773 217 HB3 LYS 27 2HB LYS 27 5.016 18.853 -0.967 218 HG2 LYS 27 1HG LYS 27 3.907 20.803 -0.941 219 HG3 LYS 27 2HG LYS 27 2.484 19.760 -0.887 220 HD2 LYS 27 1HD LYS 27 2.227 20.052 1.432 221 HD3 LYS 27 2HD LYS 27 3.858 20.701 1.615 222 HE2 LYS 27 1HE LYS 27 2.054 22.183 -0.194 223 HE3 LYS 27 2HE LYS 27 1.645 22.229 1.521 224 HZ1 LYS 27 3HZ LYS 27 3.753 23.556 0.128 225 HZ2 LYS 27 1HZ LYS 27 4.341 22.671 1.445 226 HZ3 LYS 27 2HZ LYS 27 3.144 23.842 1.680 227 H GLY 28 H GLY 28 3.321 15.870 -2.146 228 HA2 GLY 28 1HA GLY 28 5.136 14.645 -3.165 229 HA3 GLY 28 2HA GLY 28 5.944 14.639 -1.605 230 H ASP 29 H ASP 29 3.176 14.020 -0.418 231 HA ASP 29 HA ASP 29 3.516 11.307 0.001 232 HB2 ASP 29 1HB ASP 29 2.092 12.517 1.476 233 HB3 ASP 29 2HB ASP 29 1.044 13.030 0.156 234 H ILE 30 H ILE 30 2.663 9.445 -0.884 235 HA ILE 30 HA ILE 30 1.282 9.746 -3.469 236 HB ILE 30 HB ILE 30 3.323 7.612 -2.845 237 HG12 ILE 30 1HG1 ILE 30 3.614 10.115 -4.522 238 HG13 ILE 30 2HG1 ILE 30 4.393 9.821 -2.971 239 HG21 ILE 30 1HG2 ILE 30 1.317 7.563 -4.678 240 HG22 ILE 30 2HG2 ILE 30 2.637 8.250 -5.623 241 HG23 ILE 30 3HG2 ILE 30 2.840 6.687 -4.832 242 HD11 ILE 30 3HD1 ILE 30 6.006 9.431 -4.650 243 HD12 ILE 30 1HD1 ILE 30 5.523 7.851 -4.033 244 HD13 ILE 30 2HD1 ILE 30 4.896 8.423 -5.579 245 H LEU 31 H LEU 31 -0.672 8.877 -3.395 246 HA LEU 31 HA LEU 31 -1.098 6.507 -1.695 247 HB2 LEU 31 1HB LEU 31 -3.320 8.363 -2.427 248 HB3 LEU 31 2HB LEU 31 -3.186 7.266 -1.054 249 HG LEU 31 HG LEU 31 -1.173 9.066 -0.570 250 HD11 LEU 31 1HD1 LEU 31 -1.689 11.167 -1.221 251 HD12 LEU 31 2HD1 LEU 31 -3.427 10.871 -1.185 252 HD13 LEU 31 3HD1 LEU 31 -2.467 10.314 -2.555 253 HD21 LEU 31 3HD2 LEU 31 -3.377 10.082 0.766 254 HD22 LEU 31 1HD2 LEU 31 -2.298 8.807 1.332 255 HD23 LEU 31 2HD2 LEU 31 -3.786 8.390 0.481 256 H THR 32 H THR 32 -2.883 5.092 -2.418 257 HA THR 32 HA THR 32 -2.831 4.844 -5.339 258 HB THR 32 HB THR 32 -3.712 2.794 -3.299 259 HG1 THR 32 HG1 THR 32 -1.537 3.014 -3.025 260 HG21 THR 32 3HG2 THR 32 -4.359 1.538 -5.022 261 HG22 THR 32 1HG2 THR 32 -2.797 1.748 -5.813 262 HG23 THR 32 2HG2 THR 32 -4.087 2.920 -6.083 263 H LEU 33 H LEU 33 -4.499 5.770 -6.334 264 HA LEU 33 HA LEU 33 -6.931 6.482 -5.158 265 HB2 LEU 33 1HB LEU 33 -5.732 7.039 -7.498 266 HB3 LEU 33 2HB LEU 33 -6.944 5.885 -8.051 267 HG LEU 33 HG LEU 33 -7.894 8.016 -8.356 268 HD11 LEU 33 1HD1 LEU 33 -9.424 6.408 -7.363 269 HD12 LEU 33 2HD1 LEU 33 -9.786 8.041 -6.805 270 HD13 LEU 33 3HD1 LEU 33 -8.932 6.916 -5.748 271 HD21 LEU 33 3HD2 LEU 33 -6.381 8.669 -5.972 272 HD22 LEU 33 1HD2 LEU 33 -8.030 9.290 -5.903 273 HD23 LEU 33 2HD2 LEU 33 -6.982 9.722 -7.254 274 H LEU 34 H LEU 34 -8.466 5.199 -4.395 275 HA LEU 34 HA LEU 34 -8.851 2.554 -5.612 276 HB2 LEU 34 1HB LEU 34 -8.510 3.200 -3.009 277 HB3 LEU 34 2HB LEU 34 -10.269 3.228 -3.119 278 HG LEU 34 HG LEU 34 -10.258 0.909 -3.900 279 HD11 LEU 34 1HD1 LEU 34 -7.277 1.193 -3.622 280 HD12 LEU 34 2HD1 LEU 34 -8.199 0.737 -5.054 281 HD13 LEU 34 3HD1 LEU 34 -8.099 -0.366 -3.682 282 HD21 LEU 34 3HD2 LEU 34 -10.557 1.059 -1.596 283 HD22 LEU 34 1HD2 LEU 34 -8.897 1.587 -1.317 284 HD23 LEU 34 2HD2 LEU 34 -9.226 -0.088 -1.762 285 H ASN 35 H ASN 35 -10.544 5.497 -4.664 286 HA ASN 35 HA ASN 35 -12.677 4.824 -6.538 287 HB2 ASN 35 1HB ASN 35 -13.073 4.349 -3.868 288 HB3 ASN 35 2HB ASN 35 -13.701 5.985 -4.039 289 HD21 ASN 35 2HD2 ASN 35 -14.684 5.844 -6.629 290 HD22 ASN 35 1HD2 ASN 35 -16.029 4.760 -6.656 291 H SER 36 H SER 36 -12.737 6.490 -7.884 292 HA SER 36 HA SER 36 -12.334 9.198 -6.794 293 HB2 SER 36 1HB SER 36 -11.186 9.825 -8.703 294 HB3 SER 36 2HB SER 36 -10.704 8.134 -8.575 295 HG SER 36 HG SER 36 -11.586 9.052 -10.683 296 H THR 37 H THR 37 -14.843 7.695 -6.933 297 HA THR 37 HA THR 37 -16.469 8.439 -9.070 298 HB THR 37 HB THR 37 -17.185 6.786 -7.422 299 HG1 THR 37 HG1 THR 37 -18.887 7.707 -8.506 300 HG21 THR 37 3HG2 THR 37 -17.904 7.407 -5.202 301 HG22 THR 37 1HG2 THR 37 -17.552 9.104 -5.522 302 HG23 THR 37 2HG2 THR 37 -16.237 7.933 -5.432 303 H ASN 38 H ASN 38 -15.570 10.202 -6.162 304 HA ASN 38 HA ASN 38 -17.319 12.423 -6.874 305 HB2 ASN 38 1HB ASN 38 -16.627 11.410 -4.451 306 HB3 ASN 38 2HB ASN 38 -15.461 12.722 -4.596 307 HD21 ASN 38 2HD2 ASN 38 -17.261 12.842 -2.615 308 HD22 ASN 38 1HD2 ASN 38 -18.447 14.057 -2.935 309 H LYS 39 H LYS 39 -16.331 14.664 -6.657 310 HA LYS 39 HA LYS 39 -13.795 14.706 -8.150 311 HB2 LYS 39 1HB LYS 39 -14.499 16.941 -8.931 312 HB3 LYS 39 2HB LYS 39 -15.647 15.686 -9.377 313 HG2 LYS 39 1HG LYS 39 -17.021 16.351 -7.401 314 HG3 LYS 39 2HG LYS 39 -15.923 17.714 -7.172 315 HD2 LYS 39 1HD LYS 39 -17.472 17.175 -9.704 316 HD3 LYS 39 2HD LYS 39 -17.990 18.287 -8.435 317 HE2 LYS 39 1HE LYS 39 -15.713 19.413 -8.759 318 HE3 LYS 39 2HE LYS 39 -15.614 18.492 -10.259 319 HZ1 LYS 39 3HZ LYS 39 -16.803 20.917 -9.957 320 HZ2 LYS 39 1HZ LYS 39 -18.117 19.851 -9.955 321 HZ3 LYS 39 2HZ LYS 39 -17.037 19.860 -11.257 322 H ASP 40 H ASP 40 -15.431 15.848 -5.302 323 HA ASP 40 HA ASP 40 -13.243 17.640 -4.601 324 HB2 ASP 40 1HB ASP 40 -15.748 16.983 -3.037 325 HB3 ASP 40 2HB ASP 40 -14.622 18.297 -2.710 326 H TRP 41 H TRP 41 -14.897 14.827 -3.171 327 HA TRP 41 HA TRP 41 -12.550 14.379 -1.469 328 HB2 TRP 41 1HB TRP 41 -15.386 13.354 -1.324 329 HB3 TRP 41 2HB TRP 41 -14.091 12.727 -0.308 330 HD1 TRP 41 HD1 TRP 41 -16.654 15.396 -0.416 331 HE1 TRP 41 HE1 TRP 41 -16.296 17.065 1.510 332 HE3 TRP 41 HE3 TRP 41 -11.981 13.942 1.060 333 HZ2 TRP 41 HZ2 TRP 41 -14.297 17.683 3.405 334 HZ3 TRP 41 HZ3 TRP 41 -10.915 15.124 2.936 335 HH2 TRP 41 HH2 TRP 41 -12.051 16.956 4.083 336 H TRP 42 H TRP 42 -11.069 13.107 -2.372 337 HA TRP 42 HA TRP 42 -11.932 10.916 -4.117 338 HB2 TRP 42 1HB TRP 42 -9.443 12.524 -3.852 339 HB3 TRP 42 2HB TRP 42 -9.269 10.851 -4.375 340 HD1 TRP 42 HD1 TRP 42 -12.451 12.371 -5.589 341 HE1 TRP 42 HE1 TRP 42 -12.249 12.962 -8.086 342 HE3 TRP 42 HE3 TRP 42 -7.405 11.776 -6.158 343 HZ2 TRP 42 HZ2 TRP 42 -10.219 13.149 -10.039 344 HZ3 TRP 42 HZ3 TRP 42 -6.412 12.180 -8.373 345 HH2 TRP 42 HH2 TRP 42 -7.792 12.852 -10.272 346 H LYS 43 H LYS 43 -11.551 8.804 -3.659 347 HA LYS 43 HA LYS 43 -10.644 8.207 -0.943 348 HB2 LYS 43 1HB LYS 43 -11.911 6.309 -2.919 349 HB3 LYS 43 2HB LYS 43 -11.740 6.090 -1.182 350 HG2 LYS 43 1HG LYS 43 -13.222 8.145 -0.939 351 HG3 LYS 43 2HG LYS 43 -13.580 7.944 -2.656 352 HD2 LYS 43 1HD LYS 43 -15.297 6.845 -1.390 353 HD3 LYS 43 2HD LYS 43 -14.302 5.610 -2.166 354 HE2 LYS 43 1HE LYS 43 -13.250 5.034 -0.156 355 HE3 LYS 43 2HE LYS 43 -13.752 6.526 0.638 356 HZ1 LYS 43 3HZ LYS 43 -15.260 4.064 0.184 357 HZ2 LYS 43 1HZ LYS 43 -16.118 5.521 0.140 358 HZ3 LYS 43 2HZ LYS 43 -15.249 5.093 1.527 359 H VAL 44 H VAL 44 -8.601 7.637 -0.649 360 HA VAL 44 HA VAL 44 -7.273 6.028 -2.729 361 HB VAL 44 HB VAL 44 -5.122 7.196 -1.873 362 HG11 VAL 44 1HG1 VAL 44 -7.171 8.264 -3.756 363 HG12 VAL 44 2HG1 VAL 44 -5.716 9.211 -3.441 364 HG13 VAL 44 3HG1 VAL 44 -5.582 7.577 -4.091 365 HG21 VAL 44 3HG2 VAL 44 -7.201 9.244 -1.103 366 HG22 VAL 44 1HG2 VAL 44 -6.155 8.358 0.006 367 HG23 VAL 44 2HG2 VAL 44 -5.457 9.508 -1.135 368 H GLU 45 H GLU 45 -5.491 4.703 -1.940 369 HA GLU 45 HA GLU 45 -5.979 3.811 0.819 370 HB2 GLU 45 1HB GLU 45 -6.408 2.091 -0.830 371 HB3 GLU 45 2HB GLU 45 -4.825 2.340 -1.554 372 HG2 GLU 45 1HG GLU 45 -3.714 1.339 0.226 373 HG3 GLU 45 2HG GLU 45 -5.094 1.515 1.308 374 H VAL 46 H VAL 46 -4.339 3.654 2.278 375 HA VAL 46 HA VAL 46 -1.677 4.554 1.386 376 HB VAL 46 HB VAL 46 -1.349 5.677 3.493 377 HG11 VAL 46 1HG1 VAL 46 -2.720 6.717 1.555 378 HG12 VAL 46 2HG1 VAL 46 -4.085 6.563 2.664 379 HG13 VAL 46 3HG1 VAL 46 -2.683 7.534 3.117 380 HG21 VAL 46 3HG2 VAL 46 -2.591 4.170 4.939 381 HG22 VAL 46 1HG2 VAL 46 -3.143 5.830 5.168 382 HG23 VAL 46 2HG2 VAL 46 -4.111 4.701 4.220 383 H LYS 47 H LYS 47 -0.061 4.067 3.348 384 HA LYS 47 HA LYS 47 -0.515 1.288 4.208 385 HB2 LYS 47 1HB LYS 47 1.068 1.551 2.226 386 HB3 LYS 47 2HB LYS 47 2.172 2.347 3.340 387 HG2 LYS 47 1HG LYS 47 2.442 0.384 4.625 388 HG3 LYS 47 2HG LYS 47 1.087 -0.413 3.822 389 HD2 LYS 47 1HD LYS 47 3.310 0.505 2.096 390 HD3 LYS 47 2HD LYS 47 3.643 -0.862 3.164 391 HE2 LYS 47 1HE LYS 47 2.816 -2.035 1.413 392 HE3 LYS 47 2HE LYS 47 1.279 -1.643 2.183 393 HZ1 LYS 47 3HZ LYS 47 2.096 0.446 0.448 394 HZ2 LYS 47 1HZ LYS 47 0.673 -0.469 0.422 395 HZ3 LYS 47 2HZ LYS 47 2.051 -1.025 -0.387 396 H ILE 48 H ILE 48 -0.584 1.241 6.349 397 HA ILE 48 HA ILE 48 1.030 3.170 7.869 398 HB ILE 48 HB ILE 48 -1.343 1.532 8.766 399 HG12 ILE 48 1HG1 ILE 48 -1.281 4.522 8.605 400 HG13 ILE 48 2HG1 ILE 48 -1.572 3.586 7.143 401 HG21 ILE 48 1HG2 ILE 48 -1.159 3.257 10.713 402 HG22 ILE 48 2HG2 ILE 48 -0.150 1.811 10.716 403 HG23 ILE 48 3HG2 ILE 48 0.527 3.358 10.206 404 HD11 ILE 48 3HD1 ILE 48 -3.706 3.495 7.697 405 HD12 ILE 48 1HD1 ILE 48 -3.268 2.517 9.097 406 HD13 ILE 48 2HD1 ILE 48 -3.379 4.271 9.246 407 H THR 49 H THR 49 2.409 2.513 9.490 408 HA THR 49 HA THR 49 2.903 -0.388 9.671 409 HB THR 49 HB THR 49 4.978 1.807 9.820 410 HG1 THR 49 HG1 THR 49 4.963 1.600 7.720 411 HG21 THR 49 3HG2 THR 49 5.430 -0.217 11.210 412 HG22 THR 49 1HG2 THR 49 6.609 0.044 9.925 413 HG23 THR 49 2HG2 THR 49 5.359 -1.186 9.738 414 H VAL 50 H VAL 50 2.256 -1.065 11.607 415 HA VAL 50 HA VAL 50 2.987 0.550 13.961 416 HB VAL 50 HB VAL 50 0.470 -1.099 13.694 417 HG11 VAL 50 1HG1 VAL 50 1.430 0.764 15.864 418 HG12 VAL 50 2HG1 VAL 50 -0.159 -0.003 15.807 419 HG13 VAL 50 3HG1 VAL 50 1.294 -0.991 15.972 420 HG21 VAL 50 3HG2 VAL 50 -0.365 1.460 14.035 421 HG22 VAL 50 1HG2 VAL 50 1.067 1.700 13.034 422 HG23 VAL 50 2HG2 VAL 50 -0.236 0.654 12.472 423 H ASN 51 H ASN 51 4.174 -0.487 15.426 424 HA ASN 51 HA ASN 51 5.335 -2.134 16.481 425 HB2 ASN 51 1HB ASN 51 2.650 -3.381 16.023 426 HB3 ASN 51 2HB ASN 51 3.951 -4.357 16.699 427 HD21 ASN 51 2HD2 ASN 51 2.857 -1.009 17.143 428 HD22 ASN 51 1HD2 ASN 51 2.741 -1.097 18.864 429 H GLY 52 H GLY 52 5.619 -1.838 13.575 430 HA2 GLY 52 1HA GLY 52 7.011 -2.861 12.032 431 HA3 GLY 52 2HA GLY 52 7.127 -4.246 13.108 432 H LYS 53 H LYS 53 3.937 -3.276 12.454 433 HA LYS 53 HA LYS 53 3.657 -5.489 10.530 434 HB2 LYS 53 1HB LYS 53 1.730 -4.386 12.575 435 HB3 LYS 53 2HB LYS 53 1.245 -5.507 11.309 436 HG2 LYS 53 1HG LYS 53 3.434 -6.121 13.274 437 HG3 LYS 53 2HG LYS 53 1.738 -6.512 13.568 438 HD2 LYS 53 1HD LYS 53 1.692 -8.138 11.953 439 HD3 LYS 53 2HD LYS 53 2.962 -7.373 10.995 440 HE2 LYS 53 1HE LYS 53 4.650 -8.123 12.511 441 HE3 LYS 53 2HE LYS 53 3.442 -8.683 13.665 442 HZ1 LYS 53 3HZ LYS 53 3.157 -9.860 11.061 443 HZ2 LYS 53 1HZ LYS 53 3.204 -10.600 12.582 444 HZ3 LYS 53 2HZ LYS 53 4.645 -10.214 11.784 445 H THR 54 H THR 54 2.875 -5.079 8.557 446 HA THR 54 HA THR 54 2.283 -2.335 7.842 447 HB THR 54 HB THR 54 1.849 -3.805 5.559 448 HG1 THR 54 HG1 THR 54 3.161 -5.529 5.557 449 HG21 THR 54 3HG2 THR 54 4.185 -3.145 4.970 450 HG22 THR 54 1HG2 THR 54 4.415 -2.642 6.644 451 HG23 THR 54 2HG2 THR 54 3.217 -1.830 5.636 452 H TYR 55 H TYR 55 0.318 -1.496 7.569 453 HA TYR 55 HA TYR 55 -1.969 -3.338 7.331 454 HB2 TYR 55 1HB TYR 55 -1.804 -0.777 8.931 455 HB3 TYR 55 2HB TYR 55 -3.292 -1.671 8.639 456 HD1 TYR 55 HD2 TYR 55 -3.548 -3.969 9.590 457 HD2 TYR 55 HD1 TYR 55 -0.279 -1.448 10.621 458 HE1 TYR 55 HE2 TYR 55 -3.106 -5.362 11.568 459 HE2 TYR 55 HE1 TYR 55 0.173 -2.835 12.602 460 HH TYR 55 HH TYR 55 -2.013 -5.137 13.772 461 H GLU 56 H GLU 56 -3.672 -2.696 6.011 462 HA GLU 56 HA GLU 56 -3.111 -0.370 4.290 463 HB2 GLU 56 1HB GLU 56 -4.120 -3.114 3.638 464 HB3 GLU 56 2HB GLU 56 -4.576 -1.755 2.620 465 HG2 GLU 56 1HG GLU 56 -2.480 -1.487 1.790 466 HG3 GLU 56 2HG GLU 56 -1.702 -2.085 3.254 467 H ARG 57 H ARG 57 -4.808 0.964 3.709 468 HA ARG 57 HA ARG 57 -7.526 0.396 4.338 469 HB2 ARG 57 1HB ARG 57 -7.894 1.922 6.138 470 HB3 ARG 57 2HB ARG 57 -6.565 0.871 6.609 471 HG2 ARG 57 1HG ARG 57 -5.538 2.770 7.178 472 HG3 ARG 57 2HG ARG 57 -5.235 2.941 5.448 473 HD2 ARG 57 1HD ARG 57 -6.167 4.985 5.955 474 HD3 ARG 57 2HD ARG 57 -7.583 4.072 5.435 475 HE ARG 57 HE ARG 57 -8.397 4.155 7.583 476 HH11 ARG 57 1HH1 ARG 57 -5.072 5.185 7.548 477 HH12 ARG 57 2HH1 ARG 57 -5.096 5.756 9.184 478 HH21 ARG 57 1HH2 ARG 57 -8.441 4.903 9.737 479 HH22 ARG 57 2HH2 ARG 57 -7.012 5.595 10.428 480 H GLN 58 H GLN 58 -8.955 1.952 3.517 481 HA GLN 58 HA GLN 58 -7.667 3.997 1.835 482 HB2 GLN 58 1HB GLN 58 -9.610 3.824 0.358 483 HB3 GLN 58 2HB GLN 58 -8.826 2.262 0.554 484 HG2 GLN 58 1HG GLN 58 -10.695 1.348 1.300 485 HG3 GLN 58 2HG GLN 58 -10.874 2.594 2.534 486 HE21 GLN 58 2HE2 GLN 58 -10.900 2.879 -0.986 487 HE22 GLN 58 1HE2 GLN 58 -12.502 3.515 -1.101 488 H GLY 59 H GLY 59 -8.389 6.088 1.878 489 HA2 GLY 59 1HA GLY 59 -10.704 6.724 3.565 490 HA3 GLY 59 2HA GLY 59 -9.153 7.442 3.977 491 H PHE 60 H PHE 60 -11.279 9.064 3.453 492 HA PHE 60 HA PHE 60 -11.173 9.913 0.684 493 HB2 PHE 60 1HB PHE 60 -12.588 11.239 3.004 494 HB3 PHE 60 2HB PHE 60 -12.878 11.514 1.290 495 HD1 PHE 60 HD2 PHE 60 -13.220 9.068 4.027 496 HD2 PHE 60 HD1 PHE 60 -14.307 10.104 0.045 497 HE1 PHE 60 HE2 PHE 60 -14.938 7.307 4.042 498 HE2 PHE 60 HE1 PHE 60 -16.028 8.346 0.053 499 HZ PHE 60 HZ PHE 60 -16.345 6.944 2.053 500 H VAL 61 H VAL 61 -10.435 11.932 -0.037 501 HA VAL 61 HA VAL 61 -9.035 13.686 1.793 502 HB VAL 61 HB VAL 61 -6.949 13.599 0.313 503 HG11 VAL 61 1HG1 VAL 61 -5.941 11.887 1.659 504 HG12 VAL 61 2HG1 VAL 61 -7.113 12.757 2.650 505 HG13 VAL 61 3HG1 VAL 61 -7.513 11.166 2.002 506 HG21 VAL 61 3HG2 VAL 61 -8.084 10.888 -0.370 507 HG22 VAL 61 1HG2 VAL 61 -7.973 12.252 -1.482 508 HG23 VAL 61 2HG2 VAL 61 -6.504 11.516 -0.840 509 HA PRO 62 HA PRO 62 -10.223 16.758 -1.109 510 HB2 PRO 62 1HB PRO 62 -8.239 18.585 -0.802 511 HB3 PRO 62 2HB PRO 62 -9.494 18.315 0.414 512 HG2 PRO 62 1HG PRO 62 -6.687 17.279 0.326 513 HG3 PRO 62 2HG PRO 62 -7.594 17.937 1.700 514 HD2 PRO 62 1HD PRO 62 -7.265 15.277 1.310 515 HD3 PRO 62 2HD PRO 62 -8.720 15.959 2.065 516 H ALA 63 H ALA 63 -10.110 16.139 -3.201 517 HA ALA 63 HA ALA 63 -7.801 15.302 -4.556 518 HB1 ALA 63 1HB ALA 63 -9.643 14.610 -5.685 519 HB2 ALA 63 2HB ALA 63 -10.547 16.085 -5.339 520 HB3 ALA 63 3HB ALA 63 -9.318 16.080 -6.604 521 H ALA 64 H ALA 64 -9.163 18.475 -4.023 522 HA ALA 64 HA ALA 64 -7.741 19.875 -6.017 523 HB1 ALA 64 1HB ALA 64 -8.166 21.864 -4.468 524 HB2 ALA 64 2HB ALA 64 -9.572 21.002 -5.095 525 HB3 ALA 64 3HB ALA 64 -9.028 20.718 -3.441 526 H TYR 65 H TYR 65 -6.696 18.398 -3.152 527 HA TYR 65 HA TYR 65 -4.327 20.114 -2.948 528 HB2 TYR 65 1HB TYR 65 -5.567 18.087 -1.101 529 HB3 TYR 65 2HB TYR 65 -3.917 18.653 -0.865 530 HD1 TYR 65 HD2 TYR 65 -7.254 20.191 -1.589 531 HD2 TYR 65 HD1 TYR 65 -3.678 20.305 0.715 532 HE1 TYR 65 HE2 TYR 65 -8.107 22.151 -0.374 533 HE2 TYR 65 HE1 TYR 65 -4.522 22.266 1.937 534 HH TYR 65 HH TYR 65 -6.268 23.607 2.287 535 H VAL 66 H VAL 66 -5.310 17.332 -4.467 536 HA VAL 66 HA VAL 66 -2.530 16.399 -4.708 537 HB VAL 66 HB VAL 66 -3.271 14.084 -4.805 538 HG11 VAL 66 1HG1 VAL 66 -4.480 14.253 -2.348 539 HG12 VAL 66 2HG1 VAL 66 -2.739 14.248 -2.639 540 HG13 VAL 66 3HG1 VAL 66 -3.599 15.777 -2.453 541 HG21 VAL 66 3HG2 VAL 66 -5.916 14.346 -3.733 542 HG22 VAL 66 1HG2 VAL 66 -5.800 15.222 -5.259 543 HG23 VAL 66 2HG2 VAL 66 -5.383 13.510 -5.191 544 H LYS 67 H LYS 67 -2.578 14.631 -6.619 545 HA LYS 67 HA LYS 67 -4.341 15.262 -8.789 546 HB2 LYS 67 1HB LYS 67 -2.593 16.120 -10.311 547 HB3 LYS 67 2HB LYS 67 -2.894 17.202 -8.958 548 HG2 LYS 67 1HG LYS 67 -0.640 17.237 -8.896 549 HG3 LYS 67 2HG LYS 67 -0.886 15.790 -7.915 550 HD2 LYS 67 1HD LYS 67 0.648 14.989 -9.409 551 HD3 LYS 67 2HD LYS 67 -0.839 14.611 -10.281 552 HE2 LYS 67 1HE LYS 67 -0.571 16.873 -11.406 553 HE3 LYS 67 2HE LYS 67 1.056 16.904 -10.728 554 HZ1 LYS 67 3HZ LYS 67 0.835 14.444 -11.909 555 HZ2 LYS 67 1HZ LYS 67 1.671 15.781 -12.524 556 HZ3 LYS 67 2HZ LYS 67 0.074 15.490 -12.999 557 H LYS 68 H LYS 68 -3.990 13.917 -10.648 558 HA LYS 68 HA LYS 68 -3.182 11.297 -10.002 559 HB2 LYS 68 1HB LYS 68 -4.827 12.156 -11.827 560 HB3 LYS 68 2HB LYS 68 -3.389 12.274 -12.833 561 HG2 LYS 68 1HG LYS 68 -2.962 9.914 -12.574 562 HG3 LYS 68 2HG LYS 68 -4.318 9.764 -11.454 563 HD2 LYS 68 1HD LYS 68 -5.873 10.373 -13.216 564 HD3 LYS 68 2HD LYS 68 -4.535 10.624 -14.339 565 HE2 LYS 68 1HE LYS 68 -5.009 7.989 -12.973 566 HE3 LYS 68 2HE LYS 68 -5.797 8.411 -14.492 567 HZ1 LYS 68 3HZ LYS 68 -3.725 8.561 -15.580 568 HZ2 LYS 68 1HZ LYS 68 -3.675 7.123 -14.690 569 HZ3 LYS 68 2HZ LYS 68 -2.858 8.494 -14.129 570 H LEU 69 H LEU 69 -1.259 10.333 -10.058 571 HA LEU 69 HA LEU 69 1.138 11.655 -10.397 572 HB2 LEU 69 1HB LEU 69 0.957 9.520 -9.262 573 HB3 LEU 69 2HB LEU 69 0.543 8.725 -10.779 574 HG LEU 69 HG LEU 69 2.775 9.102 -11.630 575 HD11 LEU 69 1HD1 LEU 69 4.476 9.978 -9.883 576 HD12 LEU 69 2HD1 LEU 69 3.065 10.729 -9.139 577 HD13 LEU 69 3HD1 LEU 69 3.505 11.131 -10.799 578 HD21 LEU 69 3HD2 LEU 69 2.127 7.479 -9.397 579 HD22 LEU 69 1HD2 LEU 69 3.771 8.078 -9.175 580 HD23 LEU 69 2HD2 LEU 69 3.344 7.200 -10.644 581 H ASP 70 H ASP 70 -0.577 9.622 -12.754 582 HA ASP 70 HA ASP 70 1.021 10.900 -14.873 583 HB2 ASP 70 1HB ASP 70 0.123 8.022 -14.677 584 HB3 ASP 70 2HB ASP 70 0.747 8.746 -16.156 Start of MODEL 6 1 H1 MET 1 H MET 1 3.058 -6.464 -9.584 2 HA MET 1 HA MET 1 3.924 -3.695 -10.091 3 HB2 MET 1 1HB MET 1 4.235 -4.374 -12.438 4 HB3 MET 1 2HB MET 1 5.237 -5.315 -11.342 5 HG2 MET 1 1HG MET 1 3.693 -7.174 -11.481 6 HG3 MET 1 2HG MET 1 2.620 -6.229 -12.511 7 HE1 MET 1 3HE MET 1 6.391 -7.873 -12.484 8 HE2 MET 1 1HE MET 1 4.936 -8.848 -12.279 9 HE3 MET 1 2HE MET 1 5.865 -8.954 -13.774 10 H ASP 2 H ASP 2 1.355 -6.029 -10.450 11 HA ASP 2 HA ASP 2 -0.381 -3.885 -11.489 12 HB2 ASP 2 1HB ASP 2 -0.441 -6.840 -12.124 13 HB3 ASP 2 2HB ASP 2 -1.725 -5.717 -12.563 14 H GLU 3 H GLU 3 -0.060 -4.109 -8.800 15 HA GLU 3 HA GLU 3 -2.538 -5.438 -7.917 16 HB2 GLU 3 1HB GLU 3 -0.235 -6.226 -7.009 17 HB3 GLU 3 2HB GLU 3 -0.286 -4.750 -6.055 18 HG2 GLU 3 1HG GLU 3 -2.363 -5.460 -5.023 19 HG3 GLU 3 2HG GLU 3 -2.374 -6.918 -6.014 20 H THR 4 H THR 4 -0.372 -2.721 -7.128 21 HA THR 4 HA THR 4 -2.761 -1.107 -6.535 22 HB THR 4 HB THR 4 -1.755 -0.104 -4.629 23 HG1 THR 4 HG1 THR 4 0.594 -1.477 -5.455 24 HG21 THR 4 3HG2 THR 4 -2.223 -1.829 -3.291 25 HG22 THR 4 1HG2 THR 4 -0.795 -2.711 -3.830 26 HG23 THR 4 2HG2 THR 4 -2.303 -2.838 -4.735 27 H GLY 5 H GLY 5 -0.836 -1.382 -8.858 28 HA2 GLY 5 1HA GLY 5 0.130 1.408 -8.914 29 HA3 GLY 5 2HA GLY 5 0.854 0.092 -9.826 30 H LYS 6 H LYS 6 -2.603 0.631 -9.518 31 HA LYS 6 HA LYS 6 -2.817 0.788 -12.409 32 HB2 LYS 6 1HB LYS 6 -5.075 0.920 -10.414 33 HB3 LYS 6 2HB LYS 6 -5.157 0.460 -12.110 34 HG2 LYS 6 1HG LYS 6 -3.722 -1.106 -9.976 35 HG3 LYS 6 2HG LYS 6 -5.349 -1.452 -10.565 36 HD2 LYS 6 1HD LYS 6 -3.147 -1.226 -12.554 37 HD3 LYS 6 2HD LYS 6 -3.225 -2.679 -11.555 38 HE2 LYS 6 1HE LYS 6 -4.504 -3.297 -13.369 39 HE3 LYS 6 2HE LYS 6 -5.735 -2.689 -12.263 40 HZ1 LYS 6 3HZ LYS 6 -4.606 -0.674 -13.987 41 HZ2 LYS 6 1HZ LYS 6 -6.225 -1.004 -13.623 42 HZ3 LYS 6 2HZ LYS 6 -5.429 -1.896 -14.819 43 H GLU 7 H GLU 7 -4.128 2.695 -9.689 44 HA GLU 7 HA GLU 7 -3.824 5.100 -11.360 45 HB2 GLU 7 1HB GLU 7 -6.212 4.088 -9.914 46 HB3 GLU 7 2HB GLU 7 -5.918 5.820 -9.846 47 HG2 GLU 7 1HG GLU 7 -6.423 6.134 -12.018 48 HG3 GLU 7 2HG GLU 7 -5.741 4.587 -12.514 49 H LEU 8 H LEU 8 -1.867 5.576 -10.299 50 HA LEU 8 HA LEU 8 -1.894 5.961 -7.420 51 HB2 LEU 8 1HB LEU 8 0.040 5.091 -9.005 52 HB3 LEU 8 2HB LEU 8 0.393 6.814 -9.117 53 HG LEU 8 HG LEU 8 0.652 6.900 -6.670 54 HD11 LEU 8 1HD1 LEU 8 -0.730 4.498 -6.712 55 HD12 LEU 8 2HD1 LEU 8 0.039 5.249 -5.314 56 HD13 LEU 8 3HD1 LEU 8 0.915 4.049 -6.262 57 HD21 LEU 8 3HD2 LEU 8 2.331 5.250 -8.452 58 HD22 LEU 8 1HD2 LEU 8 2.650 5.108 -6.724 59 HD23 LEU 8 2HD2 LEU 8 2.739 6.685 -7.510 60 H VAL 9 H VAL 9 -1.670 7.921 -6.371 61 HA VAL 9 HA VAL 9 -1.892 10.340 -8.034 62 HB VAL 9 HB VAL 9 -3.398 11.275 -6.222 63 HG11 VAL 9 1HG1 VAL 9 -5.329 10.560 -7.309 64 HG12 VAL 9 2HG1 VAL 9 -4.068 10.318 -8.520 65 HG13 VAL 9 3HG1 VAL 9 -4.684 8.945 -7.600 66 HG21 VAL 9 3HG2 VAL 9 -4.413 8.659 -5.479 67 HG22 VAL 9 1HG2 VAL 9 -2.758 8.918 -4.926 68 HG23 VAL 9 2HG2 VAL 9 -4.029 10.051 -4.466 69 H LEU 10 H LEU 10 -0.809 12.131 -7.316 70 HA LEU 10 HA LEU 10 0.881 11.743 -4.935 71 HB2 LEU 10 1HB LEU 10 2.183 11.868 -6.957 72 HB3 LEU 10 2HB LEU 10 1.366 13.354 -7.434 73 HG LEU 10 HG LEU 10 2.416 14.160 -5.101 74 HD11 LEU 10 1HD1 LEU 10 4.893 13.102 -5.588 75 HD12 LEU 10 2HD1 LEU 10 3.832 11.711 -5.812 76 HD13 LEU 10 3HD1 LEU 10 3.802 12.608 -4.293 77 HD21 LEU 10 3HD2 LEU 10 3.735 15.494 -6.378 78 HD22 LEU 10 1HD2 LEU 10 2.706 14.849 -7.658 79 HD23 LEU 10 2HD2 LEU 10 4.306 14.160 -7.382 80 H ALA 11 H ALA 11 0.963 13.300 -3.380 81 HA ALA 11 HA ALA 11 -1.191 15.200 -3.313 82 HB1 ALA 11 1HB ALA 11 -0.852 14.362 -1.215 83 HB2 ALA 11 2HB ALA 11 0.899 14.283 -1.407 84 HB3 ALA 11 3HB ALA 11 0.114 15.834 -1.110 85 H LEU 12 H LEU 12 -1.118 17.371 -3.578 86 HA LEU 12 HA LEU 12 1.423 18.497 -4.525 87 HB2 LEU 12 1HB LEU 12 -1.396 19.510 -4.865 88 HB3 LEU 12 2HB LEU 12 0.051 20.257 -5.539 89 HG LEU 12 HG LEU 12 -1.039 17.541 -6.277 90 HD11 LEU 12 1HD1 LEU 12 -2.467 18.792 -7.470 91 HD12 LEU 12 2HD1 LEU 12 -1.081 19.050 -8.529 92 HD13 LEU 12 3HD1 LEU 12 -1.492 20.251 -7.305 93 HD21 LEU 12 3HD2 LEU 12 1.564 18.616 -6.535 94 HD22 LEU 12 1HD2 LEU 12 0.832 18.608 -8.140 95 HD23 LEU 12 2HD2 LEU 12 0.928 17.114 -7.207 96 H TYR 13 H TYR 13 -1.142 18.928 -2.176 97 HA TYR 13 HA TYR 13 0.463 21.047 -0.905 98 HB2 TYR 13 1HB TYR 13 -2.552 20.799 -0.879 99 HB3 TYR 13 2HB TYR 13 -1.610 22.059 -0.090 100 HD1 TYR 13 HD2 TYR 13 -2.516 20.657 -3.401 101 HD2 TYR 13 HD1 TYR 13 -0.941 23.986 -1.271 102 HE1 TYR 13 HE2 TYR 13 -2.631 22.015 -5.449 103 HE2 TYR 13 HE1 TYR 13 -1.053 25.353 -3.312 104 HH TYR 13 HH TYR 13 -2.831 24.639 -5.907 105 H ASP 14 H ASP 14 -0.281 21.295 1.493 106 HA ASP 14 HA ASP 14 0.007 18.656 2.696 107 HB2 ASP 14 1HB ASP 14 0.509 19.886 4.766 108 HB3 ASP 14 2HB ASP 14 1.525 20.430 3.433 109 H TYR 15 H TYR 15 -1.553 17.620 3.774 110 HA TYR 15 HA TYR 15 -3.979 19.114 4.509 111 HB2 TYR 15 1HB TYR 15 -4.385 17.842 2.431 112 HB3 TYR 15 2HB TYR 15 -3.914 16.360 3.256 113 HD1 TYR 15 HD1 TYR 15 -6.264 19.216 3.843 114 HD2 TYR 15 HD2 TYR 15 -5.644 15.008 3.938 115 HE1 TYR 15 HE1 TYR 15 -8.588 18.897 4.582 116 HE2 TYR 15 HE2 TYR 15 -7.967 14.677 4.675 117 HH TYR 15 HH TYR 15 -10.086 17.427 5.365 118 H GLN 16 H GLN 16 -5.193 18.222 6.259 119 HA GLN 16 HA GLN 16 -3.708 16.289 7.908 120 HB2 GLN 16 1HB GLN 16 -4.414 17.575 9.911 121 HB3 GLN 16 2HB GLN 16 -3.326 18.473 8.861 122 HG2 GLN 16 1HG GLN 16 -6.293 18.792 8.645 123 HG3 GLN 16 2HG GLN 16 -5.361 19.679 9.850 124 HE21 GLN 16 2HE2 GLN 16 -6.436 19.603 6.666 125 HE22 GLN 16 1HE2 GLN 16 -5.492 20.911 6.048 126 H GLU 17 H GLU 17 -4.892 14.734 8.905 127 HA GLU 17 HA GLU 17 -7.645 14.448 8.069 128 HB2 GLU 17 1HB GLU 17 -7.512 12.222 8.885 129 HB3 GLU 17 2HB GLU 17 -5.967 12.560 8.117 130 HG2 GLU 17 1HG GLU 17 -5.101 13.126 10.427 131 HG3 GLU 17 2HG GLU 17 -6.589 12.414 11.048 132 H LYS 18 H LYS 18 -9.424 14.722 9.284 133 HA LYS 18 HA LYS 18 -9.038 15.683 12.031 134 HB2 LYS 18 1HB LYS 18 -11.184 16.765 11.823 135 HB3 LYS 18 2HB LYS 18 -10.200 17.182 10.425 136 HG2 LYS 18 1HG LYS 18 -11.395 15.347 9.181 137 HG3 LYS 18 2HG LYS 18 -12.499 15.251 10.555 138 HD2 LYS 18 1HD LYS 18 -12.692 17.842 10.175 139 HD3 LYS 18 2HD LYS 18 -12.140 17.432 8.550 140 HE2 LYS 18 1HE LYS 18 -13.996 15.908 8.266 141 HE3 LYS 18 2HE LYS 18 -14.513 16.181 9.929 142 HZ1 LYS 18 3HZ LYS 18 -15.043 17.732 7.591 143 HZ2 LYS 18 1HZ LYS 18 -14.390 18.680 8.831 144 HZ3 LYS 18 2HZ LYS 18 -15.795 17.779 9.106 145 H SER 19 H SER 19 -10.580 13.215 10.120 146 HA SER 19 HA SER 19 -11.722 12.058 12.579 147 HB2 SER 19 1HB SER 19 -12.751 10.983 10.056 148 HB3 SER 19 2HB SER 19 -13.625 11.558 11.476 149 HG SER 19 HG SER 19 -13.045 12.850 9.141 150 HA PRO 20 HA PRO 20 -9.228 8.475 12.155 151 HB2 PRO 20 1HB PRO 20 -10.938 6.484 12.846 152 HB3 PRO 20 2HB PRO 20 -10.282 7.636 14.015 153 HG2 PRO 20 1HG PRO 20 -12.951 7.625 12.659 154 HG3 PRO 20 2HG PRO 20 -12.559 7.965 14.355 155 HD2 PRO 20 1HD PRO 20 -13.041 9.925 12.549 156 HD3 PRO 20 2HD PRO 20 -11.908 10.129 13.901 157 H ARG 21 H ARG 21 -11.938 8.929 10.155 158 HA ARG 21 HA ARG 21 -11.523 6.497 8.614 159 HB2 ARG 21 1HB ARG 21 -13.791 7.721 9.140 160 HB3 ARG 21 2HB ARG 21 -13.349 8.702 7.749 161 HG2 ARG 21 1HG ARG 21 -13.325 6.788 6.319 162 HG3 ARG 21 2HG ARG 21 -13.527 5.700 7.693 163 HD2 ARG 21 1HD ARG 21 -15.520 7.709 6.654 164 HD3 ARG 21 2HD ARG 21 -15.639 5.952 6.566 165 HE ARG 21 HE ARG 21 -16.223 7.624 8.839 166 HH11 ARG 21 1HH1 ARG 21 -15.401 4.421 7.751 167 HH12 ARG 21 2HH1 ARG 21 -16.061 3.636 9.147 168 HH21 ARG 21 1HH2 ARG 21 -17.096 6.602 10.682 169 HH22 ARG 21 2HH2 ARG 21 -17.026 4.877 10.813 170 H GLU 22 H GLU 22 -10.801 9.905 8.470 171 HA GLU 22 HA GLU 22 -9.981 9.829 5.702 172 HB2 GLU 22 1HB GLU 22 -10.047 11.912 7.847 173 HB3 GLU 22 2HB GLU 22 -9.030 12.171 6.436 174 HG2 GLU 22 1HG GLU 22 -11.047 13.235 5.938 175 HG3 GLU 22 2HG GLU 22 -11.098 11.718 5.042 176 H VAL 23 H VAL 23 -7.752 10.684 5.141 177 HA VAL 23 HA VAL 23 -5.732 9.538 6.955 178 HB VAL 23 HB VAL 23 -4.421 8.998 4.846 179 HG11 VAL 23 1HG1 VAL 23 -5.970 7.461 6.339 180 HG12 VAL 23 2HG1 VAL 23 -6.900 7.358 4.842 181 HG13 VAL 23 3HG1 VAL 23 -5.209 6.856 4.868 182 HG21 VAL 23 3HG2 VAL 23 -5.645 10.333 3.256 183 HG22 VAL 23 1HG2 VAL 23 -5.793 8.632 2.812 184 HG23 VAL 23 2HG2 VAL 23 -7.134 9.455 3.608 185 H THR 24 H THR 24 -3.775 10.605 7.117 186 HA THR 24 HA THR 24 -3.828 13.395 6.317 187 HB THR 24 HB THR 24 -1.829 11.881 8.007 188 HG1 THR 24 HG1 THR 24 -3.109 12.370 9.626 189 HG21 THR 24 3HG2 THR 24 -1.778 14.663 8.513 190 HG22 THR 24 1HG2 THR 24 -1.658 14.450 6.767 191 HG23 THR 24 2HG2 THR 24 -0.498 13.658 7.834 192 H MET 25 H MET 25 -2.712 14.248 4.679 193 HA MET 25 HA MET 25 -0.494 12.700 3.525 194 HB2 MET 25 1HB MET 25 -1.288 13.540 1.263 195 HB3 MET 25 2HB MET 25 -2.264 12.283 2.012 196 HG2 MET 25 1HG MET 25 -3.812 14.043 2.821 197 HG3 MET 25 2HG MET 25 -2.871 15.227 1.917 198 HE1 MET 25 3HE MET 25 -5.868 15.229 -0.385 199 HE2 MET 25 1HE MET 25 -5.284 15.797 1.180 200 HE3 MET 25 2HE MET 25 -4.326 16.079 -0.274 201 H LYS 26 H LYS 26 0.969 14.014 2.183 202 HA LYS 26 HA LYS 26 0.913 16.880 2.787 203 HB2 LYS 26 1HB LYS 26 3.229 15.020 3.336 204 HB3 LYS 26 2HB LYS 26 3.374 16.772 3.300 205 HG2 LYS 26 1HG LYS 26 1.818 16.964 5.152 206 HG3 LYS 26 2HG LYS 26 1.601 15.212 5.169 207 HD2 LYS 26 1HD LYS 26 4.324 16.431 5.468 208 HD3 LYS 26 2HD LYS 26 3.243 16.278 6.854 209 HE2 LYS 26 1HE LYS 26 3.317 13.975 6.825 210 HE3 LYS 26 2HE LYS 26 3.731 13.905 5.112 211 HZ1 LYS 26 3HZ LYS 26 5.940 14.780 5.690 212 HZ2 LYS 26 1HZ LYS 26 5.625 13.289 6.425 213 HZ3 LYS 26 2HZ LYS 26 5.531 14.715 7.330 214 H LYS 27 H LYS 27 2.239 18.168 1.382 215 HA LYS 27 HA LYS 27 2.050 17.559 -1.301 216 HB2 LYS 27 1HB LYS 27 3.866 19.339 -1.584 217 HB3 LYS 27 2HB LYS 27 2.393 19.819 -0.751 218 HG2 LYS 27 1HG LYS 27 4.402 18.809 1.079 219 HG3 LYS 27 2HG LYS 27 4.979 20.185 0.137 220 HD2 LYS 27 1HD LYS 27 2.366 20.148 1.641 221 HD3 LYS 27 2HD LYS 27 3.873 20.793 2.296 222 HE2 LYS 27 1HE LYS 27 2.686 21.742 -0.300 223 HE3 LYS 27 2HE LYS 27 2.278 22.468 1.254 224 HZ1 LYS 27 3HZ LYS 27 4.660 22.753 -0.335 225 HZ2 LYS 27 1HZ LYS 27 4.978 22.437 1.297 226 HZ3 LYS 27 2HZ LYS 27 4.030 23.769 0.863 227 H GLY 28 H GLY 28 2.873 15.766 -2.198 228 HA2 GLY 28 1HA GLY 28 4.985 15.046 -3.297 229 HA3 GLY 28 2HA GLY 28 5.733 15.198 -1.715 230 H ASP 29 H ASP 29 2.954 14.067 -0.770 231 HA ASP 29 HA ASP 29 3.873 11.412 -0.396 232 HB2 ASP 29 1HB ASP 29 1.390 12.925 0.248 233 HB3 ASP 29 2HB ASP 29 1.300 11.166 0.265 234 H ILE 30 H ILE 30 2.650 9.458 -1.030 235 HA ILE 30 HA ILE 30 1.292 9.715 -3.619 236 HB ILE 30 HB ILE 30 3.510 7.747 -3.045 237 HG12 ILE 30 1HG1 ILE 30 3.480 9.847 -5.200 238 HG13 ILE 30 2HG1 ILE 30 4.066 10.212 -3.581 239 HG21 ILE 30 1HG2 ILE 30 2.831 7.786 -5.777 240 HG22 ILE 30 2HG2 ILE 30 2.612 6.472 -4.622 241 HG23 ILE 30 3HG2 ILE 30 1.320 7.644 -4.879 242 HD11 ILE 30 3HD1 ILE 30 6.042 9.406 -4.137 243 HD12 ILE 30 1HD1 ILE 30 5.318 7.823 -4.414 244 HD13 ILE 30 2HD1 ILE 30 5.436 8.983 -5.738 245 H LEU 31 H LEU 31 -0.622 8.767 -3.491 246 HA LEU 31 HA LEU 31 -0.910 6.398 -1.762 247 HB2 LEU 31 1HB LEU 31 -3.059 8.408 -2.405 248 HB3 LEU 31 2HB LEU 31 -3.166 7.060 -1.275 249 HG LEU 31 HG LEU 31 -2.919 8.880 0.127 250 HD11 LEU 31 1HD1 LEU 31 -1.049 8.373 1.289 251 HD12 LEU 31 2HD1 LEU 31 -0.002 8.493 -0.125 252 HD13 LEU 31 3HD1 LEU 31 -0.972 7.043 0.133 253 HD21 LEU 31 3HD2 LEU 31 -2.141 10.877 -0.494 254 HD22 LEU 31 1HD2 LEU 31 -2.004 10.193 -2.114 255 HD23 LEU 31 2HD2 LEU 31 -0.605 10.204 -1.040 256 H THR 32 H THR 32 -2.913 5.083 -2.404 257 HA THR 32 HA THR 32 -2.821 4.703 -5.315 258 HB THR 32 HB THR 32 -3.753 2.770 -3.184 259 HG1 THR 32 HG1 THR 32 -1.377 2.646 -4.743 260 HG21 THR 32 3HG2 THR 32 -2.983 1.641 -5.734 261 HG22 THR 32 1HG2 THR 32 -4.298 2.801 -5.919 262 HG23 THR 32 2HG2 THR 32 -4.476 1.433 -4.820 263 H LEU 33 H LEU 33 -4.417 5.845 -6.245 264 HA LEU 33 HA LEU 33 -6.838 6.597 -5.113 265 HB2 LEU 33 1HB LEU 33 -5.615 7.197 -7.394 266 HB3 LEU 33 2HB LEU 33 -6.764 6.019 -8.024 267 HG LEU 33 HG LEU 33 -7.696 8.189 -8.331 268 HD11 LEU 33 1HD1 LEU 33 -9.312 6.537 -7.698 269 HD12 LEU 33 2HD1 LEU 33 -9.731 8.059 -6.911 270 HD13 LEU 33 3HD1 LEU 33 -8.954 6.774 -5.987 271 HD21 LEU 33 3HD2 LEU 33 -8.074 9.132 -5.681 272 HD22 LEU 33 1HD2 LEU 33 -7.175 9.883 -7.000 273 HD23 LEU 33 2HD2 LEU 33 -6.359 8.775 -5.896 274 H LEU 34 H LEU 34 -8.299 5.264 -4.267 275 HA LEU 34 HA LEU 34 -8.766 2.647 -5.463 276 HB2 LEU 34 1HB LEU 34 -8.615 3.397 -2.891 277 HB3 LEU 34 2HB LEU 34 -10.353 3.552 -3.137 278 HG LEU 34 HG LEU 34 -9.121 1.010 -4.015 279 HD11 LEU 34 1HD1 LEU 34 -9.747 1.113 -1.140 280 HD12 LEU 34 2HD1 LEU 34 -8.245 1.897 -1.627 281 HD13 LEU 34 3HD1 LEU 34 -8.513 0.196 -2.006 282 HD21 LEU 34 3HD2 LEU 34 -11.698 2.067 -3.298 283 HD22 LEU 34 1HD2 LEU 34 -11.335 0.623 -2.353 284 HD23 LEU 34 2HD2 LEU 34 -11.292 0.557 -4.115 285 H ASN 35 H ASN 35 -10.571 5.594 -4.653 286 HA ASN 35 HA ASN 35 -12.487 4.922 -6.761 287 HB2 ASN 35 1HB ASN 35 -13.130 4.523 -4.117 288 HB3 ASN 35 2HB ASN 35 -13.752 6.144 -4.412 289 HD21 ASN 35 2HD2 ASN 35 -14.489 5.913 -7.065 290 HD22 ASN 35 1HD2 ASN 35 -15.809 4.805 -7.189 291 H SER 36 H SER 36 -12.503 6.566 -8.130 292 HA SER 36 HA SER 36 -12.075 9.284 -7.077 293 HB2 SER 36 1HB SER 36 -11.531 9.638 -9.665 294 HB3 SER 36 2HB SER 36 -10.307 9.072 -8.528 295 HG SER 36 HG SER 36 -10.169 7.529 -9.982 296 H THR 37 H THR 37 -14.614 7.781 -7.303 297 HA THR 37 HA THR 37 -16.148 8.640 -9.484 298 HB THR 37 HB THR 37 -16.919 6.871 -7.984 299 HG1 THR 37 HG1 THR 37 -18.794 7.491 -8.727 300 HG21 THR 37 3HG2 THR 37 -17.857 8.744 -5.907 301 HG22 THR 37 1HG2 THR 37 -16.120 8.442 -5.935 302 HG23 THR 37 2HG2 THR 37 -17.247 7.097 -5.756 303 H ASN 38 H ASN 38 -15.376 10.198 -6.427 304 HA ASN 38 HA ASN 38 -17.125 12.448 -7.028 305 HB2 ASN 38 1HB ASN 38 -15.818 11.373 -4.643 306 HB3 ASN 38 2HB ASN 38 -15.693 13.126 -4.764 307 HD21 ASN 38 2HD2 ASN 38 -17.504 14.376 -4.553 308 HD22 ASN 38 1HD2 ASN 38 -19.033 13.747 -4.050 309 H LYS 39 H LYS 39 -16.253 14.668 -6.844 310 HA LYS 39 HA LYS 39 -13.657 14.837 -8.205 311 HB2 LYS 39 1HB LYS 39 -16.044 16.669 -8.120 312 HB3 LYS 39 2HB LYS 39 -14.479 17.219 -8.704 313 HG2 LYS 39 1HG LYS 39 -14.511 15.474 -10.420 314 HG3 LYS 39 2HG LYS 39 -16.092 14.943 -9.841 315 HD2 LYS 39 1HD LYS 39 -16.781 16.325 -11.514 316 HD3 LYS 39 2HD LYS 39 -16.654 17.518 -10.220 317 HE2 LYS 39 1HE LYS 39 -14.261 16.947 -11.903 318 HE3 LYS 39 2HE LYS 39 -15.555 17.940 -12.571 319 HZ1 LYS 39 3HZ LYS 39 -14.610 19.632 -11.517 320 HZ2 LYS 39 1HZ LYS 39 -13.567 18.623 -10.648 321 HZ3 LYS 39 2HZ LYS 39 -15.120 18.943 -10.059 322 H ASP 40 H ASP 40 -15.448 15.965 -5.416 323 HA ASP 40 HA ASP 40 -13.305 17.728 -4.568 324 HB2 ASP 40 1HB ASP 40 -15.834 16.948 -3.102 325 HB3 ASP 40 2HB ASP 40 -14.751 18.275 -2.689 326 H TRP 41 H TRP 41 -14.894 14.793 -3.328 327 HA TRP 41 HA TRP 41 -12.591 14.360 -1.560 328 HB2 TRP 41 1HB TRP 41 -15.396 13.246 -1.540 329 HB3 TRP 41 2HB TRP 41 -14.112 12.613 -0.514 330 HD1 TRP 41 HD1 TRP 41 -16.750 15.209 -0.582 331 HE1 TRP 41 HE1 TRP 41 -16.494 16.804 1.421 332 HE3 TRP 41 HE3 TRP 41 -12.075 13.831 0.961 333 HZ2 TRP 41 HZ2 TRP 41 -14.565 17.400 3.394 334 HZ3 TRP 41 HZ3 TRP 41 -11.096 14.963 2.914 335 HH2 TRP 41 HH2 TRP 41 -12.317 16.711 4.104 336 H TRP 42 H TRP 42 -11.048 13.131 -2.408 337 HA TRP 42 HA TRP 42 -11.787 11.001 -4.286 338 HB2 TRP 42 1HB TRP 42 -9.362 12.673 -3.880 339 HB3 TRP 42 2HB TRP 42 -9.112 11.024 -4.445 340 HD1 TRP 42 HD1 TRP 42 -12.300 12.453 -5.738 341 HE1 TRP 42 HE1 TRP 42 -12.027 13.135 -8.204 342 HE3 TRP 42 HE3 TRP 42 -7.215 12.095 -6.121 343 HZ2 TRP 42 HZ2 TRP 42 -9.933 13.476 -10.066 344 HZ3 TRP 42 HZ3 TRP 42 -6.155 12.616 -8.279 345 HH2 TRP 42 HH2 TRP 42 -7.488 13.291 -10.210 346 H LYS 43 H LYS 43 -11.496 8.898 -3.826 347 HA LYS 43 HA LYS 43 -10.630 8.217 -1.127 348 HB2 LYS 43 1HB LYS 43 -12.017 6.652 -3.301 349 HB3 LYS 43 2HB LYS 43 -11.461 5.912 -1.806 350 HG2 LYS 43 1HG LYS 43 -13.699 6.360 -1.399 351 HG3 LYS 43 2HG LYS 43 -12.862 7.709 -0.628 352 HD2 LYS 43 1HD LYS 43 -13.546 9.220 -2.225 353 HD3 LYS 43 2HD LYS 43 -13.742 7.980 -3.466 354 HE2 LYS 43 1HE LYS 43 -15.638 7.122 -1.880 355 HE3 LYS 43 2HE LYS 43 -15.587 8.769 -1.253 356 HZ1 LYS 43 3HZ LYS 43 -16.894 7.869 -3.524 357 HZ2 LYS 43 1HZ LYS 43 -15.605 8.816 -4.075 358 HZ3 LYS 43 2HZ LYS 43 -16.733 9.468 -2.996 359 H VAL 44 H VAL 44 -8.642 7.539 -0.708 360 HA VAL 44 HA VAL 44 -7.155 6.107 -2.803 361 HB VAL 44 HB VAL 44 -5.079 7.284 -1.751 362 HG11 VAL 44 1HG1 VAL 44 -5.475 9.253 -3.348 363 HG12 VAL 44 2HG1 VAL 44 -5.493 7.623 -4.024 364 HG13 VAL 44 3HG1 VAL 44 -7.011 8.468 -3.717 365 HG21 VAL 44 3HG2 VAL 44 -5.514 9.561 -0.988 366 HG22 VAL 44 1HG2 VAL 44 -7.250 9.284 -1.128 367 HG23 VAL 44 2HG2 VAL 44 -6.307 8.385 0.060 368 H GLU 45 H GLU 45 -5.324 4.842 -1.949 369 HA GLU 45 HA GLU 45 -5.935 3.823 0.745 370 HB2 GLU 45 1HB GLU 45 -6.168 2.319 -1.345 371 HB3 GLU 45 2HB GLU 45 -4.410 2.295 -1.347 372 HG2 GLU 45 1HG GLU 45 -4.497 1.448 0.998 373 HG3 GLU 45 2HG GLU 45 -6.245 1.307 0.820 374 H VAL 46 H VAL 46 -4.360 3.693 2.259 375 HA VAL 46 HA VAL 46 -1.637 4.487 1.458 376 HB VAL 46 HB VAL 46 -1.377 5.757 3.496 377 HG11 VAL 46 1HG1 VAL 46 -3.988 6.808 2.581 378 HG12 VAL 46 2HG1 VAL 46 -2.433 7.624 2.758 379 HG13 VAL 46 3HG1 VAL 46 -2.736 6.596 1.357 380 HG21 VAL 46 3HG2 VAL 46 -4.232 4.997 4.110 381 HG22 VAL 46 1HG2 VAL 46 -2.797 4.416 4.955 382 HG23 VAL 46 2HG2 VAL 46 -3.243 6.120 5.042 383 H LYS 47 H LYS 47 -0.149 4.099 3.539 384 HA LYS 47 HA LYS 47 -0.771 1.425 4.601 385 HB2 LYS 47 1HB LYS 47 0.886 1.377 2.701 386 HB3 LYS 47 2HB LYS 47 1.976 2.314 3.714 387 HG2 LYS 47 1HG LYS 47 2.258 0.557 5.234 388 HG3 LYS 47 2HG LYS 47 0.849 -0.312 4.622 389 HD2 LYS 47 1HD LYS 47 3.076 0.237 2.732 390 HD3 LYS 47 2HD LYS 47 3.325 -1.003 3.963 391 HE2 LYS 47 1HE LYS 47 1.716 -2.382 3.093 392 HE3 LYS 47 2HE LYS 47 0.793 -1.049 2.401 393 HZ1 LYS 47 3HZ LYS 47 3.455 -1.690 1.326 394 HZ2 LYS 47 1HZ LYS 47 2.139 -0.955 0.558 395 HZ3 LYS 47 2HZ LYS 47 2.121 -2.619 0.859 396 H ILE 48 H ILE 48 -0.300 1.087 6.716 397 HA ILE 48 HA ILE 48 1.171 3.196 8.147 398 HB ILE 48 HB ILE 48 -1.342 1.857 9.154 399 HG12 ILE 48 1HG1 ILE 48 -1.508 4.718 8.934 400 HG13 ILE 48 2HG1 ILE 48 -1.041 4.039 7.379 401 HG21 ILE 48 1HG2 ILE 48 0.221 2.392 10.936 402 HG22 ILE 48 2HG2 ILE 48 0.354 4.047 10.344 403 HG23 ILE 48 3HG2 ILE 48 -1.176 3.466 10.999 404 HD11 ILE 48 3HD1 ILE 48 -3.550 4.349 7.994 405 HD12 ILE 48 1HD1 ILE 48 -3.016 2.909 7.129 406 HD13 ILE 48 2HD1 ILE 48 -3.319 2.834 8.865 407 H THR 49 H THR 49 2.826 2.409 9.254 408 HA THR 49 HA THR 49 3.016 -0.458 9.719 409 HB THR 49 HB THR 49 5.056 1.720 10.213 410 HG1 THR 49 HG1 THR 49 5.287 -0.206 8.184 411 HG21 THR 49 3HG2 THR 49 6.429 -0.621 9.920 412 HG22 THR 49 1HG2 THR 49 4.997 -1.155 10.800 413 HG23 THR 49 2HG2 THR 49 6.019 0.118 11.468 414 H VAL 50 H VAL 50 2.187 -1.253 11.533 415 HA VAL 50 HA VAL 50 2.585 0.256 14.032 416 HB VAL 50 HB VAL 50 0.143 -1.362 13.292 417 HG11 VAL 50 1HG1 VAL 50 1.079 -0.140 15.847 418 HG12 VAL 50 2HG1 VAL 50 -0.650 -0.201 15.498 419 HG13 VAL 50 3HG1 VAL 50 0.291 -1.692 15.564 420 HG21 VAL 50 3HG2 VAL 50 0.769 1.538 13.266 421 HG22 VAL 50 1HG2 VAL 50 -0.282 0.595 12.209 422 HG23 VAL 50 2HG2 VAL 50 -0.834 1.055 13.819 423 H ASN 51 H ASN 51 3.731 -0.826 15.484 424 HA ASN 51 HA ASN 51 4.799 -2.508 16.584 425 HB2 ASN 51 1HB ASN 51 2.265 -3.059 16.906 426 HB3 ASN 51 2HB ASN 51 2.598 -4.392 15.805 427 HD21 ASN 51 2HD2 ASN 51 3.491 -2.945 18.875 428 HD22 ASN 51 1HD2 ASN 51 4.090 -4.396 19.597 429 H GLY 52 H GLY 52 5.401 -2.120 13.787 430 HA2 GLY 52 1HA GLY 52 6.905 -3.128 12.342 431 HA3 GLY 52 2HA GLY 52 6.834 -4.576 13.336 432 H LYS 53 H LYS 53 3.719 -3.743 12.684 433 HA LYS 53 HA LYS 53 3.616 -5.605 10.408 434 HB2 LYS 53 1HB LYS 53 1.680 -4.979 12.619 435 HB3 LYS 53 2HB LYS 53 1.127 -5.725 11.126 436 HG2 LYS 53 1HG LYS 53 1.489 -7.514 12.573 437 HG3 LYS 53 2HG LYS 53 2.925 -7.488 11.547 438 HD2 LYS 53 1HD LYS 53 4.270 -6.631 13.242 439 HD3 LYS 53 2HD LYS 53 2.890 -6.027 14.163 440 HE2 LYS 53 1HE LYS 53 3.697 -7.923 15.329 441 HE3 LYS 53 2HE LYS 53 2.221 -8.433 14.511 442 HZ1 LYS 53 3HZ LYS 53 3.367 -9.742 13.057 443 HZ2 LYS 53 1HZ LYS 53 4.383 -9.872 14.404 444 HZ3 LYS 53 2HZ LYS 53 4.784 -8.820 13.142 445 H THR 54 H THR 54 3.368 -4.646 8.508 446 HA THR 54 HA THR 54 2.402 -1.967 8.245 447 HB THR 54 HB THR 54 2.368 -3.034 5.692 448 HG1 THR 54 HG1 THR 54 3.832 -4.593 5.577 449 HG21 THR 54 3HG2 THR 54 3.406 -0.923 6.404 450 HG22 THR 54 1HG2 THR 54 4.504 -1.885 5.415 451 HG23 THR 54 2HG2 THR 54 4.714 -1.828 7.165 452 H TYR 55 H TYR 55 0.385 -1.285 7.932 453 HA TYR 55 HA TYR 55 -1.663 -3.285 7.232 454 HB2 TYR 55 1HB TYR 55 -1.796 -0.849 9.002 455 HB3 TYR 55 2HB TYR 55 -3.245 -1.626 8.374 456 HD1 TYR 55 HD2 TYR 55 -3.908 -3.840 9.152 457 HD2 TYR 55 HD1 TYR 55 -0.447 -1.916 10.708 458 HE1 TYR 55 HE2 TYR 55 -3.863 -5.443 11.017 459 HE2 TYR 55 HE1 TYR 55 -0.392 -3.514 12.577 460 HH TYR 55 HH TYR 55 -2.001 -6.362 12.608 461 H GLU 56 H GLU 56 -3.492 -2.513 5.976 462 HA GLU 56 HA GLU 56 -2.909 -0.137 4.347 463 HB2 GLU 56 1HB GLU 56 -3.691 -2.874 3.340 464 HB3 GLU 56 2HB GLU 56 -3.766 -1.420 2.356 465 HG2 GLU 56 1HG GLU 56 -1.287 -1.134 2.941 466 HG3 GLU 56 2HG GLU 56 -1.361 -2.819 3.455 467 H ARG 57 H ARG 57 -4.676 1.028 3.654 468 HA ARG 57 HA ARG 57 -7.355 0.069 3.900 469 HB2 ARG 57 1HB ARG 57 -8.132 1.370 5.716 470 HB3 ARG 57 2HB ARG 57 -6.670 0.580 6.291 471 HG2 ARG 57 1HG ARG 57 -5.454 2.725 5.662 472 HG3 ARG 57 2HG ARG 57 -7.056 3.451 5.517 473 HD2 ARG 57 1HD ARG 57 -6.790 1.954 7.976 474 HD3 ARG 57 2HD ARG 57 -5.533 3.182 7.834 475 HE ARG 57 HE ARG 57 -7.137 4.818 8.047 476 HH11 ARG 57 1HH1 ARG 57 -8.662 1.728 7.550 477 HH12 ARG 57 2HH1 ARG 57 -10.252 2.306 7.922 478 HH21 ARG 57 1HH2 ARG 57 -9.226 5.591 8.540 479 HH22 ARG 57 2HH2 ARG 57 -10.572 4.504 8.484 480 H GLN 58 H GLN 58 -8.955 1.791 3.381 481 HA GLN 58 HA GLN 58 -7.734 3.801 1.608 482 HB2 GLN 58 1HB GLN 58 -9.602 3.619 0.163 483 HB3 GLN 58 2HB GLN 58 -9.140 1.970 0.563 484 HG2 GLN 58 1HG GLN 58 -10.938 1.835 2.185 485 HG3 GLN 58 2HG GLN 58 -11.383 3.508 1.852 486 HE21 GLN 58 2HE2 GLN 58 -11.273 3.645 -0.842 487 HE22 GLN 58 1HE2 GLN 58 -12.439 2.584 -1.549 488 H GLY 59 H GLY 59 -8.348 5.914 1.746 489 HA2 GLY 59 1HA GLY 59 -10.479 6.594 3.660 490 HA3 GLY 59 2HA GLY 59 -8.891 7.325 3.832 491 H PHE 60 H PHE 60 -10.848 9.065 3.621 492 HA PHE 60 HA PHE 60 -11.047 9.840 0.796 493 HB2 PHE 60 1HB PHE 60 -12.542 11.061 3.117 494 HB3 PHE 60 2HB PHE 60 -12.910 11.207 1.402 495 HD1 PHE 60 HD1 PHE 60 -12.971 8.950 4.303 496 HD2 PHE 60 HD2 PHE 60 -14.150 9.532 0.255 497 HE1 PHE 60 HE1 PHE 60 -14.490 7.021 4.472 498 HE2 PHE 60 HE2 PHE 60 -15.671 7.605 0.417 499 HZ PHE 60 HZ PHE 60 -15.844 6.348 2.528 500 H VAL 61 H VAL 61 -10.191 11.708 0.032 501 HA VAL 61 HA VAL 61 -9.066 13.650 1.897 502 HB VAL 61 HB VAL 61 -6.941 13.689 0.462 503 HG11 VAL 61 1HG1 VAL 61 -7.509 11.380 2.317 504 HG12 VAL 61 2HG1 VAL 61 -5.898 11.896 1.814 505 HG13 VAL 61 3HG1 VAL 61 -6.914 12.979 2.766 506 HG21 VAL 61 3HG2 VAL 61 -6.328 11.535 -0.556 507 HG22 VAL 61 1HG2 VAL 61 -7.949 10.928 -0.217 508 HG23 VAL 61 2HG2 VAL 61 -7.726 12.266 -1.344 509 HA PRO 62 HA PRO 62 -10.379 16.597 -1.081 510 HB2 PRO 62 1HB PRO 62 -8.529 18.557 -0.754 511 HB3 PRO 62 2HB PRO 62 -9.793 18.221 0.435 512 HG2 PRO 62 1HG PRO 62 -6.922 17.373 0.431 513 HG3 PRO 62 2HG PRO 62 -7.905 17.988 1.773 514 HD2 PRO 62 1HD PRO 62 -7.390 15.351 1.432 515 HD3 PRO 62 2HD PRO 62 -8.906 15.944 2.140 516 H ALA 63 H ALA 63 -10.191 16.078 -3.180 517 HA ALA 63 HA ALA 63 -7.826 15.302 -4.479 518 HB1 ALA 63 1HB ALA 63 -10.196 16.517 -5.871 519 HB2 ALA 63 2HB ALA 63 -9.070 15.302 -6.478 520 HB3 ALA 63 3HB ALA 63 -10.220 14.883 -5.209 521 H ALA 64 H ALA 64 -9.198 18.430 -3.844 522 HA ALA 64 HA ALA 64 -7.813 19.911 -5.812 523 HB1 ALA 64 1HB ALA 64 -8.868 20.802 -3.131 524 HB2 ALA 64 2HB ALA 64 -8.356 21.870 -4.438 525 HB3 ALA 64 3HB ALA 64 -9.752 20.814 -4.657 526 H TYR 65 H TYR 65 -6.723 18.332 -3.026 527 HA TYR 65 HA TYR 65 -4.346 20.047 -2.824 528 HB2 TYR 65 1HB TYR 65 -5.725 18.191 -0.933 529 HB3 TYR 65 2HB TYR 65 -3.993 18.441 -0.750 530 HD1 TYR 65 HD1 TYR 65 -6.651 20.863 -1.732 531 HD2 TYR 65 HD2 TYR 65 -3.762 19.725 1.178 532 HE1 TYR 65 HE1 TYR 65 -7.088 22.942 -0.493 533 HE2 TYR 65 HE2 TYR 65 -4.192 21.801 2.425 534 HH TYR 65 HH TYR 65 -5.078 24.113 1.900 535 H VAL 66 H VAL 66 -5.319 17.414 -4.471 536 HA VAL 66 HA VAL 66 -2.578 16.383 -4.656 537 HB VAL 66 HB VAL 66 -3.302 14.088 -4.697 538 HG11 VAL 66 1HG1 VAL 66 -3.304 13.900 -2.468 539 HG12 VAL 66 2HG1 VAL 66 -3.264 15.665 -2.453 540 HG13 VAL 66 3HG1 VAL 66 -4.802 14.814 -2.302 541 HG21 VAL 66 3HG2 VAL 66 -5.957 14.136 -3.801 542 HG22 VAL 66 1HG2 VAL 66 -5.883 15.265 -5.153 543 HG23 VAL 66 2HG2 VAL 66 -5.363 13.594 -5.370 544 H LYS 67 H LYS 67 -2.586 14.677 -6.579 545 HA LYS 67 HA LYS 67 -4.360 15.373 -8.747 546 HB2 LYS 67 1HB LYS 67 -2.665 16.210 -10.251 547 HB3 LYS 67 2HB LYS 67 -2.676 17.196 -8.795 548 HG2 LYS 67 1HG LYS 67 -0.681 16.211 -7.998 549 HG3 LYS 67 2HG LYS 67 -0.749 14.928 -9.208 550 HD2 LYS 67 1HD LYS 67 -0.638 17.763 -10.122 551 HD3 LYS 67 2HD LYS 67 0.837 17.005 -9.518 552 HE2 LYS 67 1HE LYS 67 -0.891 15.760 -11.643 553 HE3 LYS 67 2HE LYS 67 0.437 16.859 -12.014 554 HZ1 LYS 67 3HZ LYS 67 0.779 14.268 -11.908 555 HZ2 LYS 67 1HZ LYS 67 0.998 14.587 -10.261 556 HZ3 LYS 67 2HZ LYS 67 1.991 15.337 -11.407 557 H LYS 68 H LYS 68 -3.842 14.115 -10.736 558 HA LYS 68 HA LYS 68 -3.302 11.400 -10.045 559 HB2 LYS 68 1HB LYS 68 -4.871 12.379 -11.885 560 HB3 LYS 68 2HB LYS 68 -3.417 12.393 -12.874 561 HG2 LYS 68 1HG LYS 68 -3.225 10.071 -12.841 562 HG3 LYS 68 2HG LYS 68 -4.297 9.910 -11.448 563 HD2 LYS 68 1HD LYS 68 -5.388 11.124 -13.936 564 HD3 LYS 68 2HD LYS 68 -5.124 9.379 -13.903 565 HE2 LYS 68 1HE LYS 68 -7.275 9.491 -13.121 566 HE3 LYS 68 2HE LYS 68 -6.380 9.558 -11.603 567 HZ1 LYS 68 3HZ LYS 68 -8.249 11.251 -12.021 568 HZ2 LYS 68 1HZ LYS 68 -7.122 12.043 -13.003 569 HZ3 LYS 68 2HZ LYS 68 -6.792 11.803 -11.362 570 H LEU 69 H LEU 69 -1.550 10.131 -10.501 571 HA LEU 69 HA LEU 69 0.987 11.234 -10.522 572 HB2 LEU 69 1HB LEU 69 0.563 8.947 -9.854 573 HB3 LEU 69 2HB LEU 69 0.090 8.527 -11.499 574 HG LEU 69 HG LEU 69 2.839 9.575 -11.062 575 HD11 LEU 69 1HD1 LEU 69 2.448 7.928 -9.237 576 HD12 LEU 69 2HD1 LEU 69 3.694 7.445 -10.388 577 HD13 LEU 69 3HD1 LEU 69 2.090 6.718 -10.469 578 HD21 LEU 69 3HD2 LEU 69 1.347 8.307 -13.127 579 HD22 LEU 69 1HD2 LEU 69 2.689 7.256 -12.677 580 HD23 LEU 69 2HD2 LEU 69 3.001 8.919 -13.174 581 H ASP 70 H ASP 70 -0.950 10.067 -13.247 582 HA ASP 70 HA ASP 70 1.051 10.542 -15.212 583 HB2 ASP 70 1HB ASP 70 -0.547 9.906 -16.793 584 HB3 ASP 70 2HB ASP 70 -1.051 9.033 -15.349 Start of MODEL 7 1 H1 MET 1 H MET 1 3.077 8.546 -18.204 2 HA MET 1 HA MET 1 5.090 6.518 -17.485 3 HB2 MET 1 1HB MET 1 5.698 8.812 -16.749 4 HB3 MET 1 2HB MET 1 4.214 8.875 -15.808 5 HG2 MET 1 1HG MET 1 5.671 8.259 -14.183 6 HG3 MET 1 2HG MET 1 5.185 6.666 -14.760 7 HE1 MET 1 3HE MET 1 9.046 6.586 -13.757 8 HE2 MET 1 1HE MET 1 7.549 7.147 -13.012 9 HE3 MET 1 2HE MET 1 7.637 5.526 -13.700 10 H ASP 2 H ASP 2 3.018 5.220 -17.988 11 HA ASP 2 HA ASP 2 1.313 5.087 -15.593 12 HB2 ASP 2 1HB ASP 2 0.738 3.820 -18.272 13 HB3 ASP 2 2HB ASP 2 -0.381 4.075 -16.936 14 H GLU 3 H GLU 3 3.435 3.999 -14.806 15 HA GLU 3 HA GLU 3 3.076 1.103 -15.151 16 HB2 GLU 3 1HB GLU 3 5.664 2.646 -15.228 17 HB3 GLU 3 2HB GLU 3 5.609 0.924 -14.878 18 HG2 GLU 3 1HG GLU 3 6.031 0.947 -17.135 19 HG3 GLU 3 2HG GLU 3 4.279 0.764 -17.091 20 H THR 4 H THR 4 1.818 2.173 -13.127 21 HA THR 4 HA THR 4 3.570 1.799 -10.785 22 HB THR 4 HB THR 4 2.152 3.247 -9.504 23 HG1 THR 4 HG1 THR 4 0.475 3.124 -11.787 24 HG21 THR 4 3HG2 THR 4 2.742 4.445 -12.212 25 HG22 THR 4 1HG2 THR 4 3.820 4.407 -10.817 26 HG23 THR 4 2HG2 THR 4 2.346 5.373 -10.766 27 H GLY 5 H GLY 5 0.528 0.979 -12.314 28 HA2 GLY 5 1HA GLY 5 0.124 -1.518 -11.583 29 HA3 GLY 5 2HA GLY 5 -0.236 -0.721 -10.058 30 H LYS 6 H LYS 6 -1.863 1.128 -10.269 31 HA LYS 6 HA LYS 6 -3.920 0.467 -12.264 32 HB2 LYS 6 1HB LYS 6 -4.184 0.629 -9.286 33 HB3 LYS 6 2HB LYS 6 -5.549 1.084 -10.298 34 HG2 LYS 6 1HG LYS 6 -5.970 -1.138 -9.866 35 HG3 LYS 6 2HG LYS 6 -5.161 -1.209 -11.433 36 HD2 LYS 6 1HD LYS 6 -3.208 -2.057 -10.532 37 HD3 LYS 6 2HD LYS 6 -3.550 -1.414 -8.924 38 HE2 LYS 6 1HE LYS 6 -3.978 -3.636 -8.577 39 HE3 LYS 6 2HE LYS 6 -5.582 -3.077 -9.050 40 HZ1 LYS 6 3HZ LYS 6 -4.091 -3.792 -11.341 41 HZ2 LYS 6 1HZ LYS 6 -5.551 -4.437 -10.779 42 HZ3 LYS 6 2HZ LYS 6 -4.081 -5.075 -10.238 43 H GLU 7 H GLU 7 -3.755 2.776 -9.563 44 HA GLU 7 HA GLU 7 -3.458 5.013 -11.371 45 HB2 GLU 7 1HB GLU 7 -6.045 4.348 -10.041 46 HB3 GLU 7 2HB GLU 7 -5.586 6.039 -10.176 47 HG2 GLU 7 1HG GLU 7 -5.926 4.084 -12.437 48 HG3 GLU 7 2HG GLU 7 -6.998 5.420 -12.022 49 H LEU 8 H LEU 8 -1.753 5.860 -10.322 50 HA LEU 8 HA LEU 8 -1.870 6.162 -7.413 51 HB2 LEU 8 1HB LEU 8 0.287 6.059 -9.436 52 HB3 LEU 8 2HB LEU 8 0.563 7.091 -8.035 53 HG LEU 8 HG LEU 8 1.521 4.794 -7.849 54 HD11 LEU 8 1HD1 LEU 8 1.323 4.950 -5.631 55 HD12 LEU 8 2HD1 LEU 8 -0.431 4.783 -5.684 56 HD13 LEU 8 3HD1 LEU 8 0.312 6.360 -5.950 57 HD21 LEU 8 3HD2 LEU 8 -1.170 3.706 -7.259 58 HD22 LEU 8 1HD2 LEU 8 0.267 2.903 -7.890 59 HD23 LEU 8 2HD2 LEU 8 -0.729 3.893 -8.957 60 H VAL 9 H VAL 9 -1.733 8.135 -6.387 61 HA VAL 9 HA VAL 9 -1.888 10.524 -8.104 62 HB VAL 9 HB VAL 9 -3.459 11.501 -6.408 63 HG11 VAL 9 1HG1 VAL 9 -4.002 10.119 -8.629 64 HG12 VAL 9 2HG1 VAL 9 -4.847 9.107 -7.455 65 HG13 VAL 9 3HG1 VAL 9 -5.258 10.816 -7.606 66 HG21 VAL 9 3HG2 VAL 9 -4.270 8.820 -5.498 67 HG22 VAL 9 1HG2 VAL 9 -2.752 9.425 -4.834 68 HG23 VAL 9 2HG2 VAL 9 -4.237 10.354 -4.628 69 H LEU 10 H LEU 10 -0.836 12.339 -7.391 70 HA LEU 10 HA LEU 10 0.822 11.996 -4.982 71 HB2 LEU 10 1HB LEU 10 2.093 12.146 -7.057 72 HB3 LEU 10 2HB LEU 10 1.312 13.680 -7.435 73 HG LEU 10 HG LEU 10 2.381 14.465 -5.191 74 HD11 LEU 10 1HD1 LEU 10 4.726 13.217 -5.183 75 HD12 LEU 10 2HD1 LEU 10 3.718 11.874 -5.720 76 HD13 LEU 10 3HD1 LEU 10 3.368 12.682 -4.192 77 HD21 LEU 10 3HD2 LEU 10 4.608 14.257 -6.988 78 HD22 LEU 10 1HD2 LEU 10 3.620 15.663 -6.589 79 HD23 LEU 10 2HD2 LEU 10 3.129 14.581 -7.893 80 H ALA 11 H ALA 11 0.887 13.576 -3.442 81 HA ALA 11 HA ALA 11 -1.287 15.489 -3.474 82 HB1 ALA 11 1HB ALA 11 -0.490 15.989 -1.148 83 HB2 ALA 11 2HB ALA 11 -0.973 14.316 -1.429 84 HB3 ALA 11 3HB ALA 11 0.737 14.743 -1.373 85 H LEU 12 H LEU 12 -1.125 17.587 -3.940 86 HA LEU 12 HA LEU 12 1.528 18.682 -4.505 87 HB2 LEU 12 1HB LEU 12 -1.180 19.857 -5.110 88 HB3 LEU 12 2HB LEU 12 0.376 20.425 -5.714 89 HG LEU 12 HG LEU 12 -0.517 17.651 -6.363 90 HD11 LEU 12 1HD1 LEU 12 -1.478 18.744 -8.492 91 HD12 LEU 12 2HD1 LEU 12 -1.617 20.193 -7.497 92 HD13 LEU 12 3HD1 LEU 12 -2.465 18.719 -7.031 93 HD21 LEU 12 3HD2 LEU 12 1.698 19.188 -6.966 94 HD22 LEU 12 1HD2 LEU 12 0.709 19.286 -8.423 95 HD23 LEU 12 2HD2 LEU 12 1.193 17.712 -7.790 96 H TYR 13 H TYR 13 -1.125 18.986 -2.300 97 HA TYR 13 HA TYR 13 0.271 21.217 -0.975 98 HB2 TYR 13 1HB TYR 13 -2.710 20.709 -1.046 99 HB3 TYR 13 2HB TYR 13 -1.912 22.014 -0.174 100 HD1 TYR 13 HD2 TYR 13 -2.642 20.689 -3.551 101 HD2 TYR 13 HD1 TYR 13 -1.295 24.020 -1.273 102 HE1 TYR 13 HE2 TYR 13 -2.799 22.112 -5.550 103 HE2 TYR 13 HE1 TYR 13 -1.449 25.453 -3.266 104 HH TYR 13 HH TYR 13 -2.591 24.161 -6.373 105 H ASP 14 H ASP 14 -0.091 21.331 1.376 106 HA ASP 14 HA ASP 14 0.185 18.702 2.546 107 HB2 ASP 14 1HB ASP 14 0.776 19.889 4.592 108 HB3 ASP 14 2HB ASP 14 1.665 20.559 3.226 109 H TYR 15 H TYR 15 -1.250 17.656 3.812 110 HA TYR 15 HA TYR 15 -3.662 19.060 4.694 111 HB2 TYR 15 1HB TYR 15 -4.114 17.940 2.489 112 HB3 TYR 15 2HB TYR 15 -3.777 16.398 3.268 113 HD1 TYR 15 HD1 TYR 15 -5.926 19.420 3.743 114 HD2 TYR 15 HD2 TYR 15 -5.559 15.197 4.112 115 HE1 TYR 15 HE1 TYR 15 -8.271 19.286 4.475 116 HE2 TYR 15 HE2 TYR 15 -7.903 15.051 4.843 117 HH TYR 15 HH TYR 15 -9.804 17.919 5.502 118 H GLN 16 H GLN 16 -4.875 17.872 6.332 119 HA GLN 16 HA GLN 16 -3.262 15.859 7.745 120 HB2 GLN 16 1HB GLN 16 -4.141 16.945 9.886 121 HB3 GLN 16 2HB GLN 16 -2.870 17.797 9.019 122 HG2 GLN 16 1HG GLN 16 -4.502 19.382 9.738 123 HG3 GLN 16 2HG GLN 16 -4.600 19.231 7.985 124 HE21 GLN 16 2HE2 GLN 16 -6.567 19.105 7.199 125 HE22 GLN 16 1HE2 GLN 16 -7.963 18.509 8.025 126 H GLU 17 H GLU 17 -4.489 14.500 9.222 127 HA GLU 17 HA GLU 17 -7.188 14.018 8.189 128 HB2 GLU 17 1HB GLU 17 -6.977 11.784 8.942 129 HB3 GLU 17 2HB GLU 17 -5.431 12.192 8.212 130 HG2 GLU 17 1HG GLU 17 -4.645 12.745 10.565 131 HG3 GLU 17 2HG GLU 17 -6.106 11.931 11.121 132 H LYS 18 H LYS 18 -8.976 14.183 9.418 133 HA LYS 18 HA LYS 18 -8.604 14.902 12.252 134 HB2 LYS 18 1HB LYS 18 -10.626 16.258 12.079 135 HB3 LYS 18 2HB LYS 18 -9.431 16.775 10.896 136 HG2 LYS 18 1HG LYS 18 -10.620 15.640 9.133 137 HG3 LYS 18 2HG LYS 18 -11.769 14.974 10.296 138 HD2 LYS 18 1HD LYS 18 -11.361 17.932 9.916 139 HD3 LYS 18 2HD LYS 18 -12.542 17.003 8.989 140 HE2 LYS 18 1HE LYS 18 -13.673 16.350 11.027 141 HE3 LYS 18 2HE LYS 18 -12.448 17.162 12.000 142 HZ1 LYS 18 3HZ LYS 18 -14.783 18.242 10.881 143 HZ2 LYS 18 1HZ LYS 18 -13.454 19.016 10.175 144 HZ3 LYS 18 2HZ LYS 18 -13.633 19.009 11.857 145 H SER 19 H SER 19 -10.251 12.889 9.967 146 HA SER 19 HA SER 19 -11.831 11.692 12.146 147 HB2 SER 19 1HB SER 19 -12.591 10.846 9.465 148 HB3 SER 19 2HB SER 19 -13.584 11.541 10.746 149 HG SER 19 HG SER 19 -13.535 12.929 8.966 150 HA PRO 20 HA PRO 20 -9.683 7.882 11.830 151 HB2 PRO 20 1HB PRO 20 -11.675 6.057 12.095 152 HB3 PRO 20 2HB PRO 20 -11.102 7.055 13.436 153 HG2 PRO 20 1HG PRO 20 -13.506 7.427 11.691 154 HG3 PRO 20 2HG PRO 20 -13.358 7.617 13.448 155 HD2 PRO 20 1HD PRO 20 -13.342 9.725 11.748 156 HD3 PRO 20 2HD PRO 20 -12.426 9.718 13.269 157 H ARG 21 H ARG 21 -11.944 8.780 9.470 158 HA ARG 21 HA ARG 21 -11.352 6.444 7.796 159 HB2 ARG 21 1HB ARG 21 -13.316 8.641 7.165 160 HB3 ARG 21 2HB ARG 21 -13.235 7.027 6.472 161 HG2 ARG 21 1HG ARG 21 -13.586 6.488 9.125 162 HG3 ARG 21 2HG ARG 21 -14.534 7.961 8.911 163 HD2 ARG 21 1HD ARG 21 -15.470 6.750 6.817 164 HD3 ARG 21 2HD ARG 21 -14.853 5.292 7.593 165 HE ARG 21 HE ARG 21 -16.367 6.677 9.477 166 HH11 ARG 21 1HH1 ARG 21 -16.826 5.030 6.444 167 HH12 ARG 21 2HH1 ARG 21 -18.458 4.565 6.794 168 HH21 ARG 21 1HH2 ARG 21 -18.515 6.071 9.949 169 HH22 ARG 21 2HH2 ARG 21 -19.418 5.158 8.788 170 H GLU 22 H GLU 22 -10.684 9.802 8.171 171 HA GLU 22 HA GLU 22 -9.728 10.138 5.453 172 HB2 GLU 22 1HB GLU 22 -10.027 11.917 7.837 173 HB3 GLU 22 2HB GLU 22 -8.916 12.389 6.559 174 HG2 GLU 22 1HG GLU 22 -10.796 13.433 5.836 175 HG3 GLU 22 2HG GLU 22 -10.994 11.879 5.027 176 H VAL 23 H VAL 23 -7.541 10.741 4.952 177 HA VAL 23 HA VAL 23 -5.578 9.666 6.872 178 HB VAL 23 HB VAL 23 -4.182 9.147 4.813 179 HG11 VAL 23 1HG1 VAL 23 -4.999 7.269 5.873 180 HG12 VAL 23 2HG1 VAL 23 -6.684 7.713 5.592 181 HG13 VAL 23 3HG1 VAL 23 -5.699 7.100 4.263 182 HG21 VAL 23 3HG2 VAL 23 -6.845 9.592 3.471 183 HG22 VAL 23 1HG2 VAL 23 -5.351 10.485 3.186 184 HG23 VAL 23 2HG2 VAL 23 -5.466 8.787 2.723 185 H THR 24 H THR 24 -3.504 10.647 6.910 186 HA THR 24 HA THR 24 -3.588 13.483 6.233 187 HB THR 24 HB THR 24 -1.596 11.923 7.890 188 HG1 THR 24 HG1 THR 24 -2.690 12.759 9.620 189 HG21 THR 24 3HG2 THR 24 -1.533 14.702 8.439 190 HG22 THR 24 1HG2 THR 24 -1.392 14.504 6.693 191 HG23 THR 24 2HG2 THR 24 -0.252 13.694 7.768 192 H MET 25 H MET 25 -2.629 14.264 4.481 193 HA MET 25 HA MET 25 -0.369 12.767 3.328 194 HB2 MET 25 1HB MET 25 -1.155 13.574 1.092 195 HB3 MET 25 2HB MET 25 -2.238 12.427 1.869 196 HG2 MET 25 1HG MET 25 -3.542 14.438 2.691 197 HG3 MET 25 2HG MET 25 -2.579 15.390 1.564 198 HE1 MET 25 3HE MET 25 -5.862 15.328 -0.426 199 HE2 MET 25 1HE MET 25 -5.353 15.850 1.180 200 HE3 MET 25 2HE MET 25 -4.363 16.236 -0.228 201 H LYS 26 H LYS 26 1.170 14.052 2.125 202 HA LYS 26 HA LYS 26 1.108 16.928 2.684 203 HB2 LYS 26 1HB LYS 26 3.414 15.084 3.332 204 HB3 LYS 26 2HB LYS 26 3.506 16.840 3.359 205 HG2 LYS 26 1HG LYS 26 1.776 16.883 5.106 206 HG3 LYS 26 2HG LYS 26 1.757 15.118 5.104 207 HD2 LYS 26 1HD LYS 26 3.216 15.487 6.825 208 HD3 LYS 26 2HD LYS 26 4.354 15.446 5.476 209 HE2 LYS 26 1HE LYS 26 3.112 18.030 6.334 210 HE3 LYS 26 2HE LYS 26 4.492 17.372 7.213 211 HZ1 LYS 26 3HZ LYS 26 5.760 18.323 5.680 212 HZ2 LYS 26 1HZ LYS 26 4.432 18.715 4.708 213 HZ3 LYS 26 2HZ LYS 26 5.173 17.202 4.557 214 H LYS 27 H LYS 27 2.840 18.100 1.456 215 HA LYS 27 HA LYS 27 2.645 17.647 -1.262 216 HB2 LYS 27 1HB LYS 27 4.695 19.149 0.357 217 HB3 LYS 27 2HB LYS 27 4.735 19.121 -1.401 218 HG2 LYS 27 1HG LYS 27 3.485 20.967 -1.222 219 HG3 LYS 27 2HG LYS 27 2.160 19.828 -0.968 220 HD2 LYS 27 1HD LYS 27 2.170 20.147 1.341 221 HD3 LYS 27 2HD LYS 27 3.805 20.811 1.338 222 HE2 LYS 27 1HE LYS 27 1.782 22.297 -0.218 223 HE3 LYS 27 2HE LYS 27 1.586 22.316 1.534 224 HZ1 LYS 27 3HZ LYS 27 3.083 24.066 0.289 225 HZ2 LYS 27 1HZ LYS 27 4.251 22.854 0.462 226 HZ3 LYS 27 2HZ LYS 27 3.487 23.493 1.829 227 H GLY 28 H GLY 28 3.251 15.854 -2.297 228 HA2 GLY 28 1HA GLY 28 5.114 14.729 -3.361 229 HA3 GLY 28 2HA GLY 28 6.003 14.889 -1.854 230 H ASP 29 H ASP 29 2.894 14.104 -1.071 231 HA ASP 29 HA ASP 29 3.630 11.430 -0.336 232 HB2 ASP 29 1HB ASP 29 2.245 12.550 1.220 233 HB3 ASP 29 2HB ASP 29 1.114 13.058 -0.031 234 H ILE 30 H ILE 30 2.943 9.514 -1.187 235 HA ILE 30 HA ILE 30 1.443 9.680 -3.719 236 HB ILE 30 HB ILE 30 3.415 7.529 -2.949 237 HG12 ILE 30 1HG1 ILE 30 4.587 8.845 -5.011 238 HG13 ILE 30 2HG1 ILE 30 3.784 10.185 -4.199 239 HG21 ILE 30 1HG2 ILE 30 1.448 7.722 -4.987 240 HG22 ILE 30 2HG2 ILE 30 3.038 7.797 -5.746 241 HG23 ILE 30 3HG2 ILE 30 2.620 6.435 -4.706 242 HD11 ILE 30 3HD1 ILE 30 5.559 8.250 -2.749 243 HD12 ILE 30 1HD1 ILE 30 6.167 9.713 -3.523 244 HD13 ILE 30 2HD1 ILE 30 4.991 9.831 -2.213 245 H LEU 31 H LEU 31 -0.493 8.764 -3.717 246 HA LEU 31 HA LEU 31 -1.007 6.554 -1.839 247 HB2 LEU 31 1HB LEU 31 -3.160 8.445 -2.689 248 HB3 LEU 31 2HB LEU 31 -3.097 7.393 -1.277 249 HG LEU 31 HG LEU 31 -1.006 9.186 -0.899 250 HD11 LEU 31 1HD1 LEU 31 -2.291 10.429 -2.812 251 HD12 LEU 31 2HD1 LEU 31 -1.686 11.314 -1.412 252 HD13 LEU 31 3HD1 LEU 31 -3.390 10.867 -1.504 253 HD21 LEU 31 3HD2 LEU 31 -3.055 10.188 0.605 254 HD22 LEU 31 1HD2 LEU 31 -2.043 8.813 1.049 255 HD23 LEU 31 2HD2 LEU 31 -3.606 8.544 0.276 256 H THR 32 H THR 32 -2.868 5.176 -2.493 257 HA THR 32 HA THR 32 -2.791 4.751 -5.396 258 HB THR 32 HB THR 32 -3.673 2.864 -3.202 259 HG1 THR 32 HG1 THR 32 -1.694 1.816 -3.700 260 HG21 THR 32 3HG2 THR 32 -3.011 1.591 -5.677 261 HG22 THR 32 1HG2 THR 32 -4.229 2.831 -5.971 262 HG23 THR 32 2HG2 THR 32 -4.534 1.559 -4.788 263 H LEU 33 H LEU 33 -4.388 5.916 -6.315 264 HA LEU 33 HA LEU 33 -6.825 6.632 -5.206 265 HB2 LEU 33 1HB LEU 33 -5.602 7.253 -7.473 266 HB3 LEU 33 2HB LEU 33 -6.711 6.044 -8.117 267 HG LEU 33 HG LEU 33 -7.744 8.137 -8.456 268 HD11 LEU 33 1HD1 LEU 33 -9.255 6.427 -7.624 269 HD12 LEU 33 2HD1 LEU 33 -9.743 8.019 -7.044 270 HD13 LEU 33 3HD1 LEU 33 -8.909 6.905 -5.962 271 HD21 LEU 33 3HD2 LEU 33 -6.460 8.804 -5.940 272 HD22 LEU 33 1HD2 LEU 33 -8.138 9.342 -6.000 273 HD23 LEU 33 2HD2 LEU 33 -7.003 9.856 -7.248 274 H LEU 34 H LEU 34 -8.110 5.160 -4.254 275 HA LEU 34 HA LEU 34 -8.617 2.597 -5.524 276 HB2 LEU 34 1HB LEU 34 -8.412 3.340 -2.927 277 HB3 LEU 34 2HB LEU 34 -10.161 3.356 -3.136 278 HG LEU 34 HG LEU 34 -10.099 1.010 -3.835 279 HD11 LEU 34 1HD1 LEU 34 -7.140 1.307 -3.374 280 HD12 LEU 34 2HD1 LEU 34 -7.963 0.827 -4.857 281 HD13 LEU 34 3HD1 LEU 34 -7.963 -0.251 -3.462 282 HD21 LEU 34 3HD2 LEU 34 -9.606 0.049 -1.677 283 HD22 LEU 34 1HD2 LEU 34 -10.381 1.618 -1.457 284 HD23 LEU 34 2HD2 LEU 34 -8.638 1.457 -1.234 285 H ASN 35 H ASN 35 -10.431 5.495 -4.582 286 HA ASN 35 HA ASN 35 -12.442 4.805 -6.600 287 HB2 ASN 35 1HB ASN 35 -12.938 4.456 -3.912 288 HB3 ASN 35 2HB ASN 35 -13.592 6.062 -4.216 289 HD21 ASN 35 2HD2 ASN 35 -14.443 5.736 -6.836 290 HD22 ASN 35 1HD2 ASN 35 -15.761 4.619 -6.859 291 H SER 36 H SER 36 -12.706 6.444 -7.952 292 HA SER 36 HA SER 36 -12.172 9.173 -6.975 293 HB2 SER 36 1HB SER 36 -11.025 9.698 -8.895 294 HB3 SER 36 2HB SER 36 -10.661 7.974 -8.819 295 HG SER 36 HG SER 36 -12.559 7.700 -10.196 296 H THR 37 H THR 37 -14.700 7.582 -7.111 297 HA THR 37 HA THR 37 -16.348 8.449 -9.198 298 HB THR 37 HB THR 37 -16.963 6.639 -7.625 299 HG1 THR 37 HG1 THR 37 -18.647 7.534 -8.802 300 HG21 THR 37 3HG2 THR 37 -16.191 7.849 -5.569 301 HG22 THR 37 1HG2 THR 37 -17.785 7.109 -5.426 302 HG23 THR 37 2HG2 THR 37 -17.640 8.848 -5.684 303 H ASN 38 H ASN 38 -15.387 10.012 -6.217 304 HA ASN 38 HA ASN 38 -17.246 12.215 -6.660 305 HB2 ASN 38 1HB ASN 38 -15.787 11.138 -4.380 306 HB3 ASN 38 2HB ASN 38 -15.637 12.889 -4.496 307 HD21 ASN 38 2HD2 ASN 38 -17.442 14.173 -4.240 308 HD22 ASN 38 1HD2 ASN 38 -18.931 13.567 -3.606 309 H LYS 39 H LYS 39 -16.336 14.467 -6.366 310 HA LYS 39 HA LYS 39 -13.865 14.703 -7.948 311 HB2 LYS 39 1HB LYS 39 -16.305 16.449 -7.727 312 HB3 LYS 39 2HB LYS 39 -14.788 17.079 -8.355 313 HG2 LYS 39 1HG LYS 39 -14.811 15.351 -10.099 314 HG3 LYS 39 2HG LYS 39 -16.360 14.771 -9.483 315 HD2 LYS 39 1HD LYS 39 -16.027 17.644 -10.251 316 HD3 LYS 39 2HD LYS 39 -16.310 16.422 -11.493 317 HE2 LYS 39 1HE LYS 39 -18.473 16.935 -11.046 318 HE3 LYS 39 2HE LYS 39 -18.237 15.728 -9.784 319 HZ1 LYS 39 3HZ LYS 39 -18.569 17.254 -8.228 320 HZ2 LYS 39 1HZ LYS 39 -19.031 18.337 -9.442 321 HZ3 LYS 39 2HZ LYS 39 -17.429 18.306 -8.902 322 H ASP 40 H ASP 40 -15.539 15.817 -5.071 323 HA ASP 40 HA ASP 40 -13.358 17.586 -4.330 324 HB2 ASP 40 1HB ASP 40 -15.853 16.842 -2.789 325 HB3 ASP 40 2HB ASP 40 -14.731 18.138 -2.385 326 H TRP 41 H TRP 41 -14.905 14.657 -3.028 327 HA TRP 41 HA TRP 41 -12.548 14.235 -1.328 328 HB2 TRP 41 1HB TRP 41 -15.345 13.100 -1.206 329 HB3 TRP 41 2HB TRP 41 -14.023 12.522 -0.195 330 HD1 TRP 41 HD1 TRP 41 -16.712 15.064 -0.270 331 HE1 TRP 41 HE1 TRP 41 -16.437 16.723 1.679 332 HE3 TRP 41 HE3 TRP 41 -11.973 13.821 1.191 333 HZ2 TRP 41 HZ2 TRP 41 -14.471 17.413 3.583 334 HZ3 TRP 41 HZ3 TRP 41 -10.968 15.028 3.084 335 HH2 TRP 41 HH2 TRP 41 -12.192 16.787 4.254 336 H TRP 42 H TRP 42 -11.040 12.987 -2.206 337 HA TRP 42 HA TRP 42 -11.852 10.842 -4.039 338 HB2 TRP 42 1HB TRP 42 -9.414 12.520 -3.751 339 HB3 TRP 42 2HB TRP 42 -9.186 10.864 -4.307 340 HD1 TRP 42 HD1 TRP 42 -12.427 12.261 -5.490 341 HE1 TRP 42 HE1 TRP 42 -12.254 12.920 -7.972 342 HE3 TRP 42 HE3 TRP 42 -7.357 11.939 -6.065 343 HZ2 TRP 42 HZ2 TRP 42 -10.237 13.259 -9.916 344 HZ3 TRP 42 HZ3 TRP 42 -6.386 12.446 -8.268 345 HH2 TRP 42 HH2 TRP 42 -7.797 13.092 -10.153 346 H LYS 43 H LYS 43 -11.526 8.743 -3.575 347 HA LYS 43 HA LYS 43 -10.538 8.098 -0.906 348 HB2 LYS 43 1HB LYS 43 -11.750 6.181 -2.892 349 HB3 LYS 43 2HB LYS 43 -11.626 5.998 -1.147 350 HG2 LYS 43 1HG LYS 43 -13.161 8.001 -0.964 351 HG3 LYS 43 2HG LYS 43 -13.441 7.820 -2.697 352 HD2 LYS 43 1HD LYS 43 -14.001 5.366 -2.117 353 HD3 LYS 43 2HD LYS 43 -14.161 5.956 -0.461 354 HE2 LYS 43 1HE LYS 43 -16.329 6.012 -1.422 355 HE3 LYS 43 2HE LYS 43 -15.764 7.681 -1.345 356 HZ1 LYS 43 3HZ LYS 43 -16.681 7.452 -3.462 357 HZ2 LYS 43 1HZ LYS 43 -15.989 5.929 -3.715 358 HZ3 LYS 43 2HZ LYS 43 -15.017 7.312 -3.730 359 H VAL 44 H VAL 44 -8.460 7.630 -0.675 360 HA VAL 44 HA VAL 44 -7.122 6.088 -2.802 361 HB VAL 44 HB VAL 44 -4.992 7.265 -1.895 362 HG11 VAL 44 1HG1 VAL 44 -5.508 7.665 -4.116 363 HG12 VAL 44 2HG1 VAL 44 -7.057 8.416 -3.728 364 HG13 VAL 44 3HG1 VAL 44 -5.553 9.285 -3.420 365 HG21 VAL 44 3HG2 VAL 44 -5.373 9.540 -1.082 366 HG22 VAL 44 1HG2 VAL 44 -7.113 9.251 -1.083 367 HG23 VAL 44 2HG2 VAL 44 -6.070 8.347 0.014 368 H GLU 45 H GLU 45 -5.347 4.737 -2.084 369 HA GLU 45 HA GLU 45 -5.827 3.699 0.619 370 HB2 GLU 45 1HB GLU 45 -5.854 2.321 -1.662 371 HB3 GLU 45 2HB GLU 45 -4.129 2.232 -1.337 372 HG2 GLU 45 1HG GLU 45 -4.658 1.310 0.907 373 HG3 GLU 45 2HG GLU 45 -6.357 1.272 0.439 374 H VAL 46 H VAL 46 -4.244 3.583 2.133 375 HA VAL 46 HA VAL 46 -1.558 4.521 1.370 376 HB VAL 46 HB VAL 46 -1.373 5.759 3.451 377 HG11 VAL 46 1HG1 VAL 46 -3.972 6.622 2.227 378 HG12 VAL 46 2HG1 VAL 46 -2.657 7.618 2.855 379 HG13 VAL 46 3HG1 VAL 46 -2.452 6.738 1.340 380 HG21 VAL 46 3HG2 VAL 46 -2.688 5.375 5.200 381 HG22 VAL 46 1HG2 VAL 46 -4.115 5.832 4.270 382 HG23 VAL 46 2HG2 VAL 46 -3.548 4.162 4.251 383 H LYS 47 H LYS 47 -0.073 4.172 3.458 384 HA LYS 47 HA LYS 47 -0.580 1.448 4.455 385 HB2 LYS 47 1HB LYS 47 1.145 1.557 2.617 386 HB3 LYS 47 2HB LYS 47 2.136 2.529 3.698 387 HG2 LYS 47 1HG LYS 47 2.331 0.720 5.251 388 HG3 LYS 47 2HG LYS 47 1.166 -0.246 4.344 389 HD2 LYS 47 1HD LYS 47 3.626 0.740 2.971 390 HD3 LYS 47 2HD LYS 47 3.744 -0.644 4.061 391 HE2 LYS 47 1HE LYS 47 2.214 -1.906 2.768 392 HE3 LYS 47 2HE LYS 47 1.724 -0.492 1.836 393 HZ1 LYS 47 3HZ LYS 47 4.096 -0.419 1.032 394 HZ2 LYS 47 1HZ LYS 47 3.163 -1.711 0.463 395 HZ3 LYS 47 2HZ LYS 47 4.291 -1.961 1.699 396 H ILE 48 H ILE 48 -0.364 1.175 6.591 397 HA ILE 48 HA ILE 48 1.079 3.227 8.128 398 HB ILE 48 HB ILE 48 -1.575 2.017 8.912 399 HG12 ILE 48 1HG1 ILE 48 -2.107 4.615 8.822 400 HG13 ILE 48 2HG1 ILE 48 -0.786 4.610 7.659 401 HG21 ILE 48 1HG2 ILE 48 0.502 3.246 10.451 402 HG22 ILE 48 2HG2 ILE 48 -0.942 4.256 10.489 403 HG23 ILE 48 3HG2 ILE 48 -1.034 2.568 10.992 404 HD11 ILE 48 3HD1 ILE 48 -2.741 2.510 7.181 405 HD12 ILE 48 1HD1 ILE 48 -3.418 4.136 7.099 406 HD13 ILE 48 2HD1 ILE 48 -2.051 3.697 6.074 407 H THR 49 H THR 49 2.640 2.348 9.298 408 HA THR 49 HA THR 49 2.604 -0.514 9.843 409 HB THR 49 HB THR 49 4.794 1.507 10.360 410 HG1 THR 49 HG1 THR 49 4.926 -0.444 8.347 411 HG21 THR 49 3HG2 THR 49 6.245 -0.378 10.688 412 HG22 THR 49 1HG2 THR 49 4.954 -1.506 10.274 413 HG23 THR 49 2HG2 THR 49 4.858 -0.562 11.761 414 H VAL 50 H VAL 50 1.465 -1.055 11.604 415 HA VAL 50 HA VAL 50 1.899 0.510 14.065 416 HB VAL 50 HB VAL 50 -0.513 -1.146 13.309 417 HG11 VAL 50 1HG1 VAL 50 0.463 -0.205 15.858 418 HG12 VAL 50 2HG1 VAL 50 -1.122 0.477 15.488 419 HG13 VAL 50 3HG1 VAL 50 -0.894 -1.272 15.498 420 HG21 VAL 50 3HG2 VAL 50 -1.702 0.913 13.098 421 HG22 VAL 50 1HG2 VAL 50 -0.322 1.836 13.694 422 HG23 VAL 50 2HG2 VAL 50 -0.240 1.044 12.120 423 H ASN 51 H ASN 51 2.881 -0.490 15.695 424 HA ASN 51 HA ASN 51 3.803 -2.105 17.002 425 HB2 ASN 51 1HB ASN 51 1.322 -2.822 16.987 426 HB3 ASN 51 2HB ASN 51 1.835 -4.079 15.865 427 HD21 ASN 51 2HD2 ASN 51 2.272 -5.940 16.773 428 HD22 ASN 51 1HD2 ASN 51 2.852 -6.184 18.382 429 H GLY 52 H GLY 52 4.595 -1.731 14.139 430 HA2 GLY 52 1HA GLY 52 6.446 -2.605 13.013 431 HA3 GLY 52 2HA GLY 52 6.336 -4.052 14.005 432 H LYS 53 H LYS 53 3.287 -3.609 13.011 433 HA LYS 53 HA LYS 53 3.655 -5.412 10.722 434 HB2 LYS 53 1HB LYS 53 2.269 -6.432 12.339 435 HB3 LYS 53 2HB LYS 53 1.365 -4.950 12.620 436 HG2 LYS 53 1HG LYS 53 -0.081 -5.397 10.987 437 HG3 LYS 53 2HG LYS 53 1.198 -5.868 9.865 438 HD2 LYS 53 1HD LYS 53 0.239 -7.639 12.105 439 HD3 LYS 53 2HD LYS 53 -0.453 -7.679 10.481 440 HE2 LYS 53 1HE LYS 53 1.971 -8.004 9.686 441 HE3 LYS 53 2HE LYS 53 2.321 -8.402 11.367 442 HZ1 LYS 53 3HZ LYS 53 0.055 -9.768 10.154 443 HZ2 LYS 53 1HZ LYS 53 1.224 -10.352 11.230 444 HZ3 LYS 53 2HZ LYS 53 1.586 -10.208 9.584 445 H THR 54 H THR 54 3.225 -4.741 8.725 446 HA THR 54 HA THR 54 2.381 -2.049 8.244 447 HB THR 54 HB THR 54 2.248 -3.340 5.795 448 HG1 THR 54 HG1 THR 54 4.474 -4.414 7.201 449 HG21 THR 54 3HG2 THR 54 4.441 -2.322 5.393 450 HG22 THR 54 1HG2 THR 54 4.651 -2.082 7.127 451 HG23 THR 54 2HG2 THR 54 3.376 -1.219 6.266 452 H TYR 55 H TYR 55 0.404 -1.293 7.815 453 HA TYR 55 HA TYR 55 -1.745 -3.248 7.318 454 HB2 TYR 55 1HB TYR 55 -1.743 -0.723 8.961 455 HB3 TYR 55 2HB TYR 55 -3.236 -1.454 8.386 456 HD1 TYR 55 HD2 TYR 55 -3.813 -3.787 9.126 457 HD2 TYR 55 HD1 TYR 55 -0.615 -1.578 10.856 458 HE1 TYR 55 HE2 TYR 55 -3.826 -5.298 11.067 459 HE2 TYR 55 HE1 TYR 55 -0.618 -3.084 12.800 460 HH TYR 55 HH TYR 55 -2.852 -4.805 13.790 461 H GLU 56 H GLU 56 -3.451 -2.609 5.926 462 HA GLU 56 HA GLU 56 -2.867 -0.277 4.229 463 HB2 GLU 56 1HB GLU 56 -3.381 -3.114 3.421 464 HB3 GLU 56 2HB GLU 56 -3.897 -1.808 2.362 465 HG2 GLU 56 1HG GLU 56 -1.761 -1.183 1.853 466 HG3 GLU 56 2HG GLU 56 -1.105 -1.784 3.375 467 H ARG 57 H ARG 57 -4.603 0.908 3.559 468 HA ARG 57 HA ARG 57 -7.290 -0.029 3.675 469 HB2 ARG 57 1HB ARG 57 -7.987 1.685 5.438 470 HB3 ARG 57 2HB ARG 57 -7.200 0.221 6.013 471 HG2 ARG 57 1HG ARG 57 -5.508 2.599 5.460 472 HG3 ARG 57 2HG ARG 57 -6.521 2.602 6.906 473 HD2 ARG 57 1HD ARG 57 -5.325 0.082 6.853 474 HD3 ARG 57 2HD ARG 57 -4.048 1.205 6.390 475 HE ARG 57 HE ARG 57 -3.982 1.909 8.553 476 HH11 ARG 57 1HH1 ARG 57 -7.099 0.477 7.958 477 HH12 ARG 57 2HH1 ARG 57 -7.628 0.631 9.600 478 HH21 ARG 57 1HH2 ARG 57 -4.668 2.118 10.718 479 HH22 ARG 57 2HH2 ARG 57 -6.245 1.566 11.169 480 H GLN 58 H GLN 58 -8.855 1.884 3.383 481 HA GLN 58 HA GLN 58 -7.572 3.830 1.585 482 HB2 GLN 58 1HB GLN 58 -9.615 3.910 0.325 483 HB3 GLN 58 2HB GLN 58 -9.163 2.223 0.531 484 HG2 GLN 58 1HG GLN 58 -11.103 1.765 1.482 485 HG3 GLN 58 2HG GLN 58 -10.863 3.032 2.684 486 HE21 GLN 58 2HE2 GLN 58 -11.244 3.245 -0.824 487 HE22 GLN 58 1HE2 GLN 58 -12.659 4.235 -0.788 488 H GLY 59 H GLY 59 -8.319 5.995 1.582 489 HA2 GLY 59 1HA GLY 59 -10.107 6.799 3.752 490 HA3 GLY 59 2HA GLY 59 -8.462 7.415 3.799 491 H PHE 60 H PHE 60 -10.912 8.931 3.580 492 HA PHE 60 HA PHE 60 -11.002 9.878 0.841 493 HB2 PHE 60 1HB PHE 60 -12.421 11.090 3.211 494 HB3 PHE 60 2HB PHE 60 -12.857 11.207 1.509 495 HD1 PHE 60 HD2 PHE 60 -12.855 9.050 4.472 496 HD2 PHE 60 HD1 PHE 60 -14.058 9.450 0.409 497 HE1 PHE 60 HE2 PHE 60 -14.349 7.112 4.727 498 HE2 PHE 60 HE1 PHE 60 -15.555 7.513 0.658 499 HZ PHE 60 HZ PHE 60 -15.702 6.341 2.819 500 H VAL 61 H VAL 61 -10.154 11.747 0.079 501 HA VAL 61 HA VAL 61 -8.985 13.670 1.936 502 HB VAL 61 HB VAL 61 -6.894 13.722 0.451 503 HG11 VAL 61 1HG1 VAL 61 -7.352 11.336 2.240 504 HG12 VAL 61 2HG1 VAL 61 -5.787 12.019 1.795 505 HG13 VAL 61 3HG1 VAL 61 -6.912 12.956 2.779 506 HG21 VAL 61 3HG2 VAL 61 -7.772 10.903 -0.160 507 HG22 VAL 61 1HG2 VAL 61 -7.872 12.244 -1.301 508 HG23 VAL 61 2HG2 VAL 61 -6.301 11.706 -0.707 509 HA PRO 62 HA PRO 62 -10.362 16.648 -0.981 510 HB2 PRO 62 1HB PRO 62 -8.501 18.602 -0.679 511 HB3 PRO 62 2HB PRO 62 -9.737 18.256 0.537 512 HG2 PRO 62 1HG PRO 62 -6.868 17.404 0.456 513 HG3 PRO 62 2HG PRO 62 -7.818 18.007 1.826 514 HD2 PRO 62 1HD PRO 62 -7.316 15.373 1.448 515 HD3 PRO 62 2HD PRO 62 -8.814 15.962 2.198 516 H ALA 63 H ALA 63 -10.220 16.112 -3.083 517 HA ALA 63 HA ALA 63 -7.879 15.368 -4.441 518 HB1 ALA 63 1HB ALA 63 -10.644 16.089 -5.233 519 HB2 ALA 63 2HB ALA 63 -9.404 16.109 -6.487 520 HB3 ALA 63 3HB ALA 63 -9.709 14.633 -5.573 521 H ALA 64 H ALA 64 -9.286 18.481 -3.786 522 HA ALA 64 HA ALA 64 -7.958 19.976 -5.780 523 HB1 ALA 64 1HB ALA 64 -8.576 21.923 -4.513 524 HB2 ALA 64 2HB ALA 64 -9.916 20.776 -4.487 525 HB3 ALA 64 3HB ALA 64 -8.872 20.944 -3.076 526 H TYR 65 H TYR 65 -6.799 18.427 -3.002 527 HA TYR 65 HA TYR 65 -4.444 20.176 -2.846 528 HB2 TYR 65 1HB TYR 65 -5.760 18.295 -0.935 529 HB3 TYR 65 2HB TYR 65 -4.027 18.565 -0.785 530 HD1 TYR 65 HD2 TYR 65 -6.713 20.971 -1.719 531 HD2 TYR 65 HD1 TYR 65 -3.793 19.831 1.158 532 HE1 TYR 65 HE2 TYR 65 -7.149 23.041 -0.465 533 HE2 TYR 65 HE1 TYR 65 -4.222 21.897 2.421 534 HH TYR 65 HH TYR 65 -5.399 24.456 1.417 535 H VAL 66 H VAL 66 -5.401 17.531 -4.484 536 HA VAL 66 HA VAL 66 -2.647 16.552 -4.727 537 HB VAL 66 HB VAL 66 -3.334 14.241 -4.761 538 HG11 VAL 66 1HG1 VAL 66 -4.763 14.968 -2.315 539 HG12 VAL 66 2HG1 VAL 66 -3.280 14.035 -2.530 540 HG13 VAL 66 3HG1 VAL 66 -3.220 15.798 -2.519 541 HG21 VAL 66 3HG2 VAL 66 -5.942 14.200 -3.784 542 HG22 VAL 66 1HG2 VAL 66 -5.961 15.393 -5.082 543 HG23 VAL 66 2HG2 VAL 66 -5.409 13.749 -5.403 544 H LYS 67 H LYS 67 -2.693 14.821 -6.645 545 HA LYS 67 HA LYS 67 -4.519 15.491 -8.773 546 HB2 LYS 67 1HB LYS 67 -2.848 16.328 -10.323 547 HB3 LYS 67 2HB LYS 67 -2.894 17.346 -8.889 548 HG2 LYS 67 1HG LYS 67 -0.853 16.538 -8.102 549 HG3 LYS 67 2HG LYS 67 -0.906 15.121 -9.153 550 HD2 LYS 67 1HD LYS 67 -0.923 16.989 -11.038 551 HD3 LYS 67 2HD LYS 67 -0.132 17.925 -9.768 552 HE2 LYS 67 1HE LYS 67 1.397 15.858 -9.519 553 HE3 LYS 67 2HE LYS 67 0.783 15.405 -11.108 554 HZ1 LYS 67 3HZ LYS 67 2.645 16.610 -11.639 555 HZ2 LYS 67 1HZ LYS 67 2.464 17.696 -10.354 556 HZ3 LYS 67 2HZ LYS 67 1.462 17.817 -11.711 557 H LYS 68 H LYS 68 -4.247 14.138 -10.652 558 HA LYS 68 HA LYS 68 -3.456 11.485 -9.969 559 HB2 LYS 68 1HB LYS 68 -5.266 12.446 -11.684 560 HB3 LYS 68 2HB LYS 68 -3.934 12.225 -12.811 561 HG2 LYS 68 1HG LYS 68 -4.919 10.193 -13.008 562 HG3 LYS 68 2HG LYS 68 -3.835 9.845 -11.659 563 HD2 LYS 68 1HD LYS 68 -5.538 9.795 -10.127 564 HD3 LYS 68 2HD LYS 68 -6.544 10.915 -11.049 565 HE2 LYS 68 1HE LYS 68 -6.608 8.938 -12.773 566 HE3 LYS 68 2HE LYS 68 -6.193 7.968 -11.361 567 HZ1 LYS 68 3HZ LYS 68 -8.293 8.043 -10.710 568 HZ2 LYS 68 1HZ LYS 68 -8.703 8.906 -12.107 569 HZ3 LYS 68 2HZ LYS 68 -8.279 9.734 -10.695 570 H LEU 69 H LEU 69 -1.665 10.349 -10.503 571 HA LEU 69 HA LEU 69 0.749 11.604 -10.983 572 HB2 LEU 69 1HB LEU 69 0.629 9.377 -10.077 573 HB3 LEU 69 2HB LEU 69 -0.077 8.767 -11.572 574 HG LEU 69 HG LEU 69 2.226 9.678 -12.559 575 HD11 LEU 69 1HD1 LEU 69 2.686 9.284 -9.637 576 HD12 LEU 69 2HD1 LEU 69 3.333 10.514 -10.723 577 HD13 LEU 69 3HD1 LEU 69 3.956 8.865 -10.788 578 HD21 LEU 69 3HD2 LEU 69 1.318 7.098 -11.478 579 HD22 LEU 69 1HD2 LEU 69 3.059 7.243 -11.727 580 HD23 LEU 69 2HD2 LEU 69 1.951 7.506 -13.074 581 H ASP 70 H ASP 70 -1.619 10.405 -13.261 582 HA ASP 70 HA ASP 70 0.021 10.507 -15.572 583 HB2 ASP 70 1HB ASP 70 -2.987 10.672 -15.291 584 HB3 ASP 70 2HB ASP 70 -2.132 10.460 -16.817 Start of MODEL 8 1 H1 MET 1 H MET 1 7.375 -7.842 -6.544 2 HA MET 1 HA MET 1 5.937 -8.603 -8.791 3 HB2 MET 1 1HB MET 1 5.879 -9.642 -5.961 4 HB3 MET 1 2HB MET 1 4.986 -10.407 -7.269 5 HG2 MET 1 1HG MET 1 7.960 -9.966 -7.296 6 HG3 MET 1 2HG MET 1 7.182 -11.451 -6.754 7 HE1 MET 1 3HE MET 1 8.425 -13.112 -9.352 8 HE2 MET 1 1HE MET 1 9.165 -11.681 -10.071 9 HE3 MET 1 2HE MET 1 9.170 -11.891 -8.320 10 H ASP 2 H ASP 2 4.893 -6.906 -5.930 11 HA ASP 2 HA ASP 2 2.129 -6.919 -6.949 12 HB2 ASP 2 1HB ASP 2 1.504 -6.251 -4.602 13 HB3 ASP 2 2HB ASP 2 2.179 -7.871 -4.754 14 H GLU 3 H GLU 3 3.731 -5.225 -8.260 15 HA GLU 3 HA GLU 3 2.749 -2.625 -7.371 16 HB2 GLU 3 1HB GLU 3 5.650 -3.179 -8.017 17 HB3 GLU 3 2HB GLU 3 4.959 -1.575 -7.820 18 HG2 GLU 3 1HG GLU 3 4.298 -2.244 -5.500 19 HG3 GLU 3 2HG GLU 3 5.238 -3.717 -5.731 20 H THR 4 H THR 4 1.405 -3.555 -9.268 21 HA THR 4 HA THR 4 2.623 -3.206 -11.876 22 HB THR 4 HB THR 4 0.493 -3.901 -12.798 23 HG1 THR 4 HG1 THR 4 -1.180 -4.468 -11.138 24 HG21 THR 4 3HG2 THR 4 1.065 -5.607 -10.377 25 HG22 THR 4 1HG2 THR 4 2.052 -5.615 -11.838 26 HG23 THR 4 2HG2 THR 4 0.365 -6.122 -11.911 27 H GLY 5 H GLY 5 1.685 -1.062 -9.674 28 HA2 GLY 5 1HA GLY 5 1.171 1.175 -9.787 29 HA3 GLY 5 2HA GLY 5 1.417 1.067 -11.524 30 H LYS 6 H LYS 6 -0.956 -0.079 -9.119 31 HA LYS 6 HA LYS 6 -3.132 -0.276 -10.829 32 HB2 LYS 6 1HB LYS 6 -2.971 0.333 -7.880 33 HB3 LYS 6 2HB LYS 6 -4.505 0.120 -8.713 34 HG2 LYS 6 1HG LYS 6 -4.273 -2.022 -8.117 35 HG3 LYS 6 2HG LYS 6 -3.177 -2.109 -9.498 36 HD2 LYS 6 1HD LYS 6 -1.472 -1.226 -7.617 37 HD3 LYS 6 2HD LYS 6 -2.594 -2.134 -6.600 38 HE2 LYS 6 1HE LYS 6 -2.297 -4.009 -8.352 39 HE3 LYS 6 2HE LYS 6 -0.865 -3.108 -8.847 40 HZ1 LYS 6 3HZ LYS 6 0.249 -3.719 -7.019 41 HZ2 LYS 6 1HZ LYS 6 -0.893 -4.964 -6.916 42 HZ3 LYS 6 2HZ LYS 6 -1.092 -3.556 -6.000 43 H GLU 7 H GLU 7 -2.654 2.388 -8.502 44 HA GLU 7 HA GLU 7 -3.030 4.452 -10.380 45 HB2 GLU 7 1HB GLU 7 -5.377 3.281 -10.103 46 HB3 GLU 7 2HB GLU 7 -5.442 4.237 -8.629 47 HG2 GLU 7 1HG GLU 7 -5.135 6.276 -9.918 48 HG3 GLU 7 2HG GLU 7 -5.025 5.331 -11.402 49 H LEU 8 H LEU 8 -1.182 5.036 -9.082 50 HA LEU 8 HA LEU 8 -1.685 5.844 -6.334 51 HB2 LEU 8 1HB LEU 8 0.728 5.580 -8.064 52 HB3 LEU 8 2HB LEU 8 0.801 6.626 -6.648 53 HG LEU 8 HG LEU 8 1.706 4.354 -6.259 54 HD11 LEU 8 1HD1 LEU 8 -0.671 4.397 -4.529 55 HD12 LEU 8 2HD1 LEU 8 0.249 5.899 -4.594 56 HD13 LEU 8 3HD1 LEU 8 1.042 4.401 -4.111 57 HD21 LEU 8 3HD2 LEU 8 -1.112 3.340 -6.359 58 HD22 LEU 8 1HD2 LEU 8 0.400 2.431 -6.335 59 HD23 LEU 8 2HD2 LEU 8 -0.080 3.307 -7.789 60 H VAL 9 H VAL 9 -1.658 7.935 -5.581 61 HA VAL 9 HA VAL 9 -1.574 10.062 -7.620 62 HB VAL 9 HB VAL 9 -3.275 11.279 -6.239 63 HG11 VAL 9 1HG1 VAL 9 -5.008 10.396 -7.432 64 HG12 VAL 9 2HG1 VAL 9 -3.658 9.649 -8.287 65 HG13 VAL 9 3HG1 VAL 9 -4.553 8.731 -7.075 66 HG21 VAL 9 3HG2 VAL 9 -4.509 10.198 -4.554 67 HG22 VAL 9 1HG2 VAL 9 -3.854 8.615 -4.975 68 HG23 VAL 9 2HG2 VAL 9 -2.823 9.818 -4.200 69 H LEU 10 H LEU 10 -0.535 11.939 -7.087 70 HA LEU 10 HA LEU 10 0.976 11.891 -4.570 71 HB2 LEU 10 1HB LEU 10 2.423 11.992 -6.436 72 HB3 LEU 10 2HB LEU 10 1.452 13.243 -7.211 73 HG LEU 10 HG LEU 10 2.147 14.766 -5.307 74 HD11 LEU 10 1HD1 LEU 10 3.224 12.384 -4.306 75 HD12 LEU 10 2HD1 LEU 10 3.409 14.010 -3.649 76 HD13 LEU 10 3HD1 LEU 10 4.602 13.376 -4.782 77 HD21 LEU 10 3HD2 LEU 10 4.474 15.061 -6.291 78 HD22 LEU 10 1HD2 LEU 10 3.116 15.153 -7.413 79 HD23 LEU 10 2HD2 LEU 10 4.091 13.686 -7.328 80 H ALA 11 H ALA 11 1.025 13.654 -3.196 81 HA ALA 11 HA ALA 11 -1.262 15.444 -3.421 82 HB1 ALA 11 1HB ALA 11 0.629 14.777 -1.185 83 HB2 ALA 11 2HB ALA 11 -0.513 16.118 -1.079 84 HB3 ALA 11 3HB ALA 11 -1.105 14.470 -1.293 85 H LEU 12 H LEU 12 -1.109 17.470 -4.116 86 HA LEU 12 HA LEU 12 1.511 18.608 -4.639 87 HB2 LEU 12 1HB LEU 12 -1.242 19.678 -5.241 88 HB3 LEU 12 2HB LEU 12 0.278 20.364 -5.811 89 HG LEU 12 HG LEU 12 -0.736 17.620 -6.547 90 HD11 LEU 12 1HD1 LEU 12 -1.632 18.464 -8.488 91 HD12 LEU 12 2HD1 LEU 12 -0.656 19.930 -8.432 92 HD13 LEU 12 3HD1 LEU 12 -2.029 19.744 -7.341 93 HD21 LEU 12 3HD2 LEU 12 1.740 19.127 -7.046 94 HD22 LEU 12 1HD2 LEU 12 1.021 18.365 -8.464 95 HD23 LEU 12 2HD2 LEU 12 1.443 17.388 -7.057 96 H TYR 13 H TYR 13 -1.282 19.185 -2.585 97 HA TYR 13 HA TYR 13 0.232 21.319 -1.228 98 HB2 TYR 13 1HB TYR 13 -2.769 20.990 -1.418 99 HB3 TYR 13 2HB TYR 13 -1.935 22.264 -0.536 100 HD1 TYR 13 HD1 TYR 13 -2.537 20.890 -3.925 101 HD2 TYR 13 HD2 TYR 13 -1.195 24.217 -1.638 102 HE1 TYR 13 HE1 TYR 13 -2.517 22.273 -5.959 103 HE2 TYR 13 HE2 TYR 13 -1.171 25.609 -3.665 104 HH TYR 13 HH TYR 13 -2.667 24.709 -6.531 105 H ASP 14 H ASP 14 -0.796 21.606 1.110 106 HA ASP 14 HA ASP 14 -0.479 18.999 2.394 107 HB2 ASP 14 1HB ASP 14 0.205 20.126 4.319 108 HB3 ASP 14 2HB ASP 14 0.836 21.145 3.029 109 H TYR 15 H TYR 15 -1.981 18.107 3.765 110 HA TYR 15 HA TYR 15 -4.506 19.531 4.169 111 HB2 TYR 15 1HB TYR 15 -4.706 18.086 2.131 112 HB3 TYR 15 2HB TYR 15 -4.389 16.687 3.151 113 HD1 TYR 15 HD2 TYR 15 -6.689 19.630 2.987 114 HD2 TYR 15 HD1 TYR 15 -6.199 15.523 3.987 115 HE1 TYR 15 HE2 TYR 15 -9.087 19.477 3.511 116 HE2 TYR 15 HE1 TYR 15 -8.596 15.359 4.513 117 HH TYR 15 HH TYR 15 -10.546 17.945 5.032 118 H GLN 16 H GLN 16 -5.848 18.584 5.849 119 HA GLN 16 HA GLN 16 -4.342 16.881 7.719 120 HB2 GLN 16 1HB GLN 16 -5.520 18.223 9.550 121 HB3 GLN 16 2HB GLN 16 -4.189 19.007 8.711 122 HG2 GLN 16 1HG GLN 16 -5.962 20.582 8.985 123 HG3 GLN 16 2HG GLN 16 -5.832 20.168 7.276 124 HE21 GLN 16 2HE2 GLN 16 -7.720 19.971 6.334 125 HE22 GLN 16 1HE2 GLN 16 -9.166 19.360 7.054 126 H GLU 17 H GLU 17 -5.616 15.576 9.134 127 HA GLU 17 HA GLU 17 -8.207 14.879 7.959 128 HB2 GLU 17 1HB GLU 17 -7.961 12.733 8.930 129 HB3 GLU 17 2HB GLU 17 -6.384 13.149 8.276 130 HG2 GLU 17 1HG GLU 17 -5.762 13.921 10.595 131 HG3 GLU 17 2HG GLU 17 -7.254 13.163 11.148 132 H LYS 18 H LYS 18 -10.089 15.065 9.034 133 HA LYS 18 HA LYS 18 -9.985 16.273 11.708 134 HB2 LYS 18 1HB LYS 18 -11.170 17.552 9.976 135 HB3 LYS 18 2HB LYS 18 -12.243 16.186 9.697 136 HG2 LYS 18 1HG LYS 18 -12.624 16.517 12.329 137 HG3 LYS 18 2HG LYS 18 -12.229 18.176 11.873 138 HD2 LYS 18 1HD LYS 18 -14.109 18.418 10.602 139 HD3 LYS 18 2HD LYS 18 -14.172 16.707 10.175 140 HE2 LYS 18 1HE LYS 18 -16.031 17.277 11.622 141 HE3 LYS 18 2HE LYS 18 -14.926 16.184 12.455 142 HZ1 LYS 18 3HZ LYS 18 -14.333 17.764 13.935 143 HZ2 LYS 18 1HZ LYS 18 -15.857 18.394 13.557 144 HZ3 LYS 18 2HZ LYS 18 -14.472 19.036 12.829 145 H SER 19 H SER 19 -11.372 13.609 9.881 146 HA SER 19 HA SER 19 -12.453 12.504 12.388 147 HB2 SER 19 1HB SER 19 -13.356 11.131 10.000 148 HB3 SER 19 2HB SER 19 -14.304 11.912 11.265 149 HG SER 19 HG SER 19 -13.643 13.938 10.122 150 HA PRO 20 HA PRO 20 -9.708 9.085 12.271 151 HB2 PRO 20 1HB PRO 20 -11.302 7.018 13.016 152 HB3 PRO 20 2HB PRO 20 -10.777 8.280 14.138 153 HG2 PRO 20 1HG PRO 20 -13.380 7.999 12.687 154 HG3 PRO 20 2HG PRO 20 -13.083 8.463 14.373 155 HD2 PRO 20 1HD PRO 20 -13.626 10.277 12.437 156 HD3 PRO 20 2HD PRO 20 -12.567 10.639 13.815 157 H ARG 21 H ARG 21 -12.478 9.104 10.236 158 HA ARG 21 HA ARG 21 -11.806 6.662 8.840 159 HB2 ARG 21 1HB ARG 21 -14.162 7.675 9.187 160 HB3 ARG 21 2HB ARG 21 -13.740 8.739 7.853 161 HG2 ARG 21 1HG ARG 21 -13.307 6.730 6.460 162 HG3 ARG 21 2HG ARG 21 -13.900 5.736 7.792 163 HD2 ARG 21 1HD ARG 21 -16.028 7.096 7.686 164 HD3 ARG 21 2HD ARG 21 -15.418 7.769 6.175 165 HE ARG 21 HE ARG 21 -15.396 4.916 6.168 166 HH11 ARG 21 1HH1 ARG 21 -17.434 7.708 5.752 167 HH12 ARG 21 2HH1 ARG 21 -18.570 6.889 4.732 168 HH21 ARG 21 1HH2 ARG 21 -16.884 3.827 4.825 169 HH22 ARG 21 2HH2 ARG 21 -18.257 4.682 4.206 170 H GLU 22 H GLU 22 -11.169 10.058 8.552 171 HA GLU 22 HA GLU 22 -10.275 9.869 5.804 172 HB2 GLU 22 1HB GLU 22 -10.622 12.046 7.796 173 HB3 GLU 22 2HB GLU 22 -9.416 12.295 6.542 174 HG2 GLU 22 1HG GLU 22 -11.352 13.252 5.682 175 HG3 GLU 22 2HG GLU 22 -11.255 11.681 4.888 176 H VAL 23 H VAL 23 -8.046 11.083 5.436 177 HA VAL 23 HA VAL 23 -6.055 10.076 7.344 178 HB VAL 23 HB VAL 23 -4.631 9.318 5.451 179 HG11 VAL 23 1HG1 VAL 23 -7.202 8.056 6.206 180 HG12 VAL 23 2HG1 VAL 23 -6.329 7.356 4.842 181 HG13 VAL 23 3HG1 VAL 23 -5.549 7.480 6.419 182 HG21 VAL 23 3HG2 VAL 23 -5.423 10.478 3.580 183 HG22 VAL 23 1HG2 VAL 23 -5.937 8.814 3.304 184 HG23 VAL 23 2HG2 VAL 23 -7.096 10.010 3.884 185 H THR 24 H THR 24 -4.157 11.255 7.462 186 HA THR 24 HA THR 24 -4.324 13.950 6.386 187 HB THR 24 HB THR 24 -2.343 12.731 8.319 188 HG1 THR 24 HG1 THR 24 -3.546 13.958 9.846 189 HG21 THR 24 3HG2 THR 24 -1.082 14.523 7.882 190 HG22 THR 24 1HG2 THR 24 -2.356 15.496 8.616 191 HG23 THR 24 2HG2 THR 24 -2.336 15.241 6.871 192 H MET 25 H MET 25 -3.084 14.759 4.798 193 HA MET 25 HA MET 25 -0.783 13.182 3.873 194 HB2 MET 25 1HB MET 25 -1.440 13.734 1.523 195 HB3 MET 25 2HB MET 25 -2.544 12.635 2.340 196 HG2 MET 25 1HG MET 25 -4.096 14.451 2.744 197 HG3 MET 25 2HG MET 25 -2.978 15.592 2.001 198 HE1 MET 25 3HE MET 25 -5.584 15.695 -0.725 199 HE2 MET 25 1HE MET 25 -5.167 16.277 0.887 200 HE3 MET 25 2HE MET 25 -4.024 16.468 -0.442 201 H LYS 26 H LYS 26 0.730 14.430 2.533 202 HA LYS 26 HA LYS 26 0.561 17.332 2.866 203 HB2 LYS 26 1HB LYS 26 2.992 15.723 3.667 204 HB3 LYS 26 2HB LYS 26 2.832 17.473 3.736 205 HG2 LYS 26 1HG LYS 26 1.101 17.266 5.431 206 HG3 LYS 26 2HG LYS 26 1.212 15.506 5.343 207 HD2 LYS 26 1HD LYS 26 3.500 17.321 6.098 208 HD3 LYS 26 2HD LYS 26 2.450 16.507 7.260 209 HE2 LYS 26 1HE LYS 26 3.106 14.346 6.055 210 HE3 LYS 26 2HE LYS 26 4.393 15.297 5.314 211 HZ1 LYS 26 3HZ LYS 26 4.358 14.113 7.848 212 HZ2 LYS 26 1HZ LYS 26 4.410 15.790 8.068 213 HZ3 LYS 26 2HZ LYS 26 5.594 15.022 7.135 214 H LYS 27 H LYS 27 1.987 18.521 1.468 215 HA LYS 27 HA LYS 27 2.062 17.648 -1.148 216 HB2 LYS 27 1HB LYS 27 3.858 19.452 -1.436 217 HB3 LYS 27 2HB LYS 27 2.297 19.960 -0.807 218 HG2 LYS 27 1HG LYS 27 4.164 19.205 1.291 219 HG3 LYS 27 2HG LYS 27 4.749 20.534 0.286 220 HD2 LYS 27 1HD LYS 27 2.003 20.470 1.526 221 HD3 LYS 27 2HD LYS 27 3.403 21.218 2.298 222 HE2 LYS 27 1HE LYS 27 2.410 21.952 -0.450 223 HE3 LYS 27 2HE LYS 27 1.924 22.791 1.022 224 HZ1 LYS 27 3HZ LYS 27 4.174 23.263 -0.523 225 HZ2 LYS 27 1HZ LYS 27 4.737 22.582 0.920 226 HZ3 LYS 27 2HZ LYS 27 3.777 23.974 0.959 227 H GLY 28 H GLY 28 3.086 15.939 -1.956 228 HA2 GLY 28 1HA GLY 28 5.329 15.208 -2.706 229 HA3 GLY 28 2HA GLY 28 5.851 15.429 -1.043 230 H ASP 29 H ASP 29 3.150 14.284 -0.203 231 HA ASP 29 HA ASP 29 4.057 11.581 0.051 232 HB2 ASP 29 1HB ASP 29 1.668 13.122 0.988 233 HB3 ASP 29 2HB ASP 29 1.633 11.362 1.052 234 H ILE 30 H ILE 30 2.680 9.704 -0.499 235 HA ILE 30 HA ILE 30 1.039 10.116 -2.897 236 HB ILE 30 HB ILE 30 3.213 8.032 -2.667 237 HG12 ILE 30 1HG1 ILE 30 3.022 10.307 -4.641 238 HG13 ILE 30 2HG1 ILE 30 3.912 10.436 -3.128 239 HG21 ILE 30 1HG2 ILE 30 0.859 8.257 -4.359 240 HG22 ILE 30 2HG2 ILE 30 2.354 8.110 -5.282 241 HG23 ILE 30 3HG2 ILE 30 1.931 6.884 -4.087 242 HD11 ILE 30 3HD1 ILE 30 5.622 9.804 -4.445 243 HD12 ILE 30 1HD1 ILE 30 5.003 8.193 -4.084 244 HD13 ILE 30 2HD1 ILE 30 4.574 8.982 -5.602 245 H LEU 31 H LEU 31 -0.796 8.972 -2.897 246 HA LEU 31 HA LEU 31 -1.047 6.766 -0.959 247 HB2 LEU 31 1HB LEU 31 -3.251 8.615 -1.847 248 HB3 LEU 31 2HB LEU 31 -3.337 7.380 -0.594 249 HG LEU 31 HG LEU 31 -1.315 9.467 -0.142 250 HD11 LEU 31 1HD1 LEU 31 -3.559 10.474 -1.185 251 HD12 LEU 31 2HD1 LEU 31 -2.644 11.282 0.088 252 HD13 LEU 31 3HD1 LEU 31 -4.069 10.327 0.497 253 HD21 LEU 31 3HD2 LEU 31 -1.550 8.684 1.920 254 HD22 LEU 31 1HD2 LEU 31 -2.752 7.540 1.322 255 HD23 LEU 31 2HD2 LEU 31 -3.260 9.117 1.926 256 H THR 32 H THR 32 -2.873 5.248 -1.519 257 HA THR 32 HA THR 32 -2.676 4.587 -4.362 258 HB THR 32 HB THR 32 -3.697 2.918 -2.055 259 HG1 THR 32 HG1 THR 32 -1.668 1.758 -2.595 260 HG21 THR 32 3HG2 THR 32 -2.911 1.407 -4.350 261 HG22 THR 32 1HG2 THR 32 -4.092 2.621 -4.839 262 HG23 THR 32 2HG2 THR 32 -4.485 1.476 -3.557 263 H LEU 33 H LEU 33 -4.207 5.660 -5.485 264 HA LEU 33 HA LEU 33 -6.708 6.467 -4.594 265 HB2 LEU 33 1HB LEU 33 -5.319 6.853 -6.844 266 HB3 LEU 33 2HB LEU 33 -6.465 5.650 -7.431 267 HG LEU 33 HG LEU 33 -7.310 7.819 -7.966 268 HD11 LEU 33 1HD1 LEU 33 -9.015 6.271 -7.340 269 HD12 LEU 33 2HD1 LEU 33 -9.430 7.839 -6.649 270 HD13 LEU 33 3HD1 LEU 33 -8.742 6.578 -5.625 271 HD21 LEU 33 3HD2 LEU 33 -6.194 8.517 -5.410 272 HD22 LEU 33 1HD2 LEU 33 -7.877 9.032 -5.509 273 HD23 LEU 33 2HD2 LEU 33 -6.719 9.565 -6.728 274 H LEU 34 H LEU 34 -8.229 5.201 -3.756 275 HA LEU 34 HA LEU 34 -8.599 2.492 -4.782 276 HB2 LEU 34 1HB LEU 34 -8.604 3.471 -2.250 277 HB3 LEU 34 2HB LEU 34 -10.330 3.446 -2.607 278 HG LEU 34 HG LEU 34 -8.843 0.970 -3.224 279 HD11 LEU 34 1HD1 LEU 34 -9.556 0.862 -0.471 280 HD12 LEU 34 2HD1 LEU 34 -8.460 2.221 -0.720 281 HD13 LEU 34 3HD1 LEU 34 -7.981 0.598 -1.219 282 HD21 LEU 34 3HD2 LEU 34 -11.248 0.958 -1.542 283 HD22 LEU 34 1HD2 LEU 34 -10.870 0.033 -2.996 284 HD23 LEU 34 2HD2 LEU 34 -11.458 1.690 -3.133 285 H ASN 35 H ASN 35 -10.340 5.536 -4.403 286 HA ASN 35 HA ASN 35 -12.198 4.693 -6.483 287 HB2 ASN 35 1HB ASN 35 -12.971 4.453 -3.856 288 HB3 ASN 35 2HB ASN 35 -13.579 6.052 -4.278 289 HD21 ASN 35 2HD2 ASN 35 -14.178 5.652 -6.950 290 HD22 ASN 35 1HD2 ASN 35 -15.492 4.537 -7.070 291 H SER 36 H SER 36 -12.133 6.248 -7.952 292 HA SER 36 HA SER 36 -11.802 9.033 -7.045 293 HB2 SER 36 1HB SER 36 -11.063 9.218 -9.610 294 HB3 SER 36 2HB SER 36 -9.925 8.779 -8.336 295 HG SER 36 HG SER 36 -10.302 7.402 -10.417 296 H THR 37 H THR 37 -14.299 7.487 -7.367 297 HA THR 37 HA THR 37 -15.662 8.173 -9.716 298 HB THR 37 HB THR 37 -16.545 6.498 -8.185 299 HG1 THR 37 HG1 THR 37 -18.728 7.266 -8.183 300 HG21 THR 37 3HG2 THR 37 -17.532 7.086 -6.054 301 HG22 THR 37 1HG2 THR 37 -17.145 8.787 -6.308 302 HG23 THR 37 2HG2 THR 37 -15.849 7.612 -6.082 303 H ASN 38 H ASN 38 -15.200 9.927 -6.696 304 HA ASN 38 HA ASN 38 -16.941 12.088 -7.525 305 HB2 ASN 38 1HB ASN 38 -15.588 11.267 -5.058 306 HB3 ASN 38 2HB ASN 38 -15.567 13.008 -5.323 307 HD21 ASN 38 2HD2 ASN 38 -17.400 14.163 -5.063 308 HD22 ASN 38 1HD2 ASN 38 -18.909 13.486 -4.566 309 H LYS 39 H LYS 39 -15.988 14.385 -7.183 310 HA LYS 39 HA LYS 39 -13.455 14.518 -8.681 311 HB2 LYS 39 1HB LYS 39 -15.874 16.310 -8.679 312 HB3 LYS 39 2HB LYS 39 -14.321 16.857 -9.296 313 HG2 LYS 39 1HG LYS 39 -14.332 14.997 -10.907 314 HG3 LYS 39 2HG LYS 39 -15.924 14.520 -10.314 315 HD2 LYS 39 1HD LYS 39 -16.939 16.464 -11.147 316 HD3 LYS 39 2HD LYS 39 -15.392 17.292 -11.340 317 HE2 LYS 39 1HE LYS 39 -16.302 16.592 -13.496 318 HE3 LYS 39 2HE LYS 39 -14.789 15.761 -13.140 319 HZ1 LYS 39 3HZ LYS 39 -17.183 14.601 -13.830 320 HZ2 LYS 39 1HZ LYS 39 -17.019 14.288 -12.176 321 HZ3 LYS 39 2HZ LYS 39 -15.805 13.809 -13.251 322 H ASP 40 H ASP 40 -15.297 15.862 -6.002 323 HA ASP 40 HA ASP 40 -13.130 17.628 -5.229 324 HB2 ASP 40 1HB ASP 40 -15.726 17.020 -3.798 325 HB3 ASP 40 2HB ASP 40 -14.610 18.330 -3.419 326 H TRP 41 H TRP 41 -14.834 14.848 -3.795 327 HA TRP 41 HA TRP 41 -12.582 14.490 -1.947 328 HB2 TRP 41 1HB TRP 41 -15.411 13.431 -1.915 329 HB3 TRP 41 2HB TRP 41 -14.166 12.881 -0.796 330 HD1 TRP 41 HD1 TRP 41 -16.770 15.482 -1.177 331 HE1 TRP 41 HE1 TRP 41 -16.551 17.253 0.677 332 HE3 TRP 41 HE3 TRP 41 -12.153 14.215 0.616 333 HZ2 TRP 41 HZ2 TRP 41 -14.671 18.013 2.640 334 HZ3 TRP 41 HZ3 TRP 41 -11.216 15.514 2.484 335 HH2 TRP 41 HH2 TRP 41 -12.450 17.374 3.473 336 H TRP 42 H TRP 42 -11.113 12.995 -2.382 337 HA TRP 42 HA TRP 42 -11.842 10.795 -4.200 338 HB2 TRP 42 1HB TRP 42 -9.360 12.405 -3.855 339 HB3 TRP 42 2HB TRP 42 -9.179 10.712 -4.306 340 HD1 TRP 42 HD1 TRP 42 -12.277 12.135 -5.773 341 HE1 TRP 42 HE1 TRP 42 -11.923 12.665 -8.267 342 HE3 TRP 42 HE3 TRP 42 -7.190 11.671 -5.986 343 HZ2 TRP 42 HZ2 TRP 42 -9.772 12.860 -10.084 344 HZ3 TRP 42 HZ3 TRP 42 -6.061 12.045 -8.140 345 HH2 TRP 42 HH2 TRP 42 -7.327 12.626 -10.145 346 H LYS 43 H LYS 43 -11.612 8.731 -3.552 347 HA LYS 43 HA LYS 43 -10.841 8.277 -0.776 348 HB2 LYS 43 1HB LYS 43 -11.981 6.269 -2.720 349 HB3 LYS 43 2HB LYS 43 -11.935 6.156 -0.965 350 HG2 LYS 43 1HG LYS 43 -13.466 8.106 -0.854 351 HG3 LYS 43 2HG LYS 43 -13.589 8.055 -2.614 352 HD2 LYS 43 1HD LYS 43 -15.476 6.905 -1.632 353 HD3 LYS 43 2HD LYS 43 -14.437 5.740 -2.455 354 HE2 LYS 43 1HE LYS 43 -13.899 4.682 -0.542 355 HE3 LYS 43 2HE LYS 43 -13.801 6.183 0.379 356 HZ1 LYS 43 3HZ LYS 43 -16.325 6.180 0.234 357 HZ2 LYS 43 1HZ LYS 43 -15.612 5.052 1.274 358 HZ3 LYS 43 2HZ LYS 43 -16.193 4.561 -0.237 359 H VAL 44 H VAL 44 -8.801 7.778 -0.347 360 HA VAL 44 HA VAL 44 -7.330 6.098 -2.272 361 HB VAL 44 HB VAL 44 -5.260 7.225 -1.181 362 HG11 VAL 44 1HG1 VAL 44 -5.528 7.595 -3.448 363 HG12 VAL 44 2HG1 VAL 44 -7.090 8.390 -3.240 364 HG13 VAL 44 3HG1 VAL 44 -5.605 9.231 -2.794 365 HG21 VAL 44 3HG2 VAL 44 -5.633 9.525 -0.451 366 HG22 VAL 44 1HG2 VAL 44 -7.374 9.307 -0.632 367 HG23 VAL 44 2HG2 VAL 44 -6.491 8.387 0.587 368 H GLU 45 H GLU 45 -5.332 5.086 -1.123 369 HA GLU 45 HA GLU 45 -6.179 4.076 1.512 370 HB2 GLU 45 1HB GLU 45 -6.262 2.539 -0.656 371 HB3 GLU 45 2HB GLU 45 -4.553 2.349 -0.291 372 HG2 GLU 45 1HG GLU 45 -5.008 1.395 1.818 373 HG3 GLU 45 2HG GLU 45 -6.705 1.867 1.745 374 H VAL 46 H VAL 46 -4.631 3.855 3.071 375 HA VAL 46 HA VAL 46 -1.995 4.985 2.424 376 HB VAL 46 HB VAL 46 -3.082 4.635 5.206 377 HG11 VAL 46 1HG1 VAL 46 -0.941 6.323 3.942 378 HG12 VAL 46 2HG1 VAL 46 -1.575 6.650 5.556 379 HG13 VAL 46 3HG1 VAL 46 -0.776 5.114 5.215 380 HG21 VAL 46 3HG2 VAL 46 -4.759 6.003 4.529 381 HG22 VAL 46 1HG2 VAL 46 -3.524 7.239 4.773 382 HG23 VAL 46 2HG2 VAL 46 -3.846 6.622 3.152 383 H LYS 47 H LYS 47 -0.122 4.094 3.553 384 HA LYS 47 HA LYS 47 -0.422 1.246 4.230 385 HB2 LYS 47 1HB LYS 47 0.498 1.563 1.929 386 HB3 LYS 47 2HB LYS 47 1.858 2.426 2.634 387 HG2 LYS 47 1HG LYS 47 2.838 0.539 3.403 388 HG3 LYS 47 2HG LYS 47 1.299 -0.268 3.710 389 HD2 LYS 47 1HD LYS 47 2.096 0.278 0.890 390 HD3 LYS 47 2HD LYS 47 2.881 -1.047 1.753 391 HE2 LYS 47 1HE LYS 47 0.714 -2.043 2.229 392 HE3 LYS 47 2HE LYS 47 -0.099 -0.696 1.435 393 HZ1 LYS 47 3HZ LYS 47 0.101 -1.748 -0.485 394 HZ2 LYS 47 1HZ LYS 47 0.865 -3.049 0.281 395 HZ3 LYS 47 2HZ LYS 47 1.786 -1.772 -0.337 396 H ILE 48 H ILE 48 0.007 1.125 6.338 397 HA ILE 48 HA ILE 48 2.385 2.545 7.348 398 HB ILE 48 HB ILE 48 -0.045 1.863 8.999 399 HG12 ILE 48 1HG1 ILE 48 -0.100 4.555 8.863 400 HG13 ILE 48 2HG1 ILE 48 0.549 4.196 7.266 401 HG21 ILE 48 1HG2 ILE 48 1.393 4.001 10.091 402 HG22 ILE 48 2HG2 ILE 48 1.303 2.347 10.695 403 HG23 ILE 48 3HG2 ILE 48 2.600 2.814 9.595 404 HD11 ILE 48 3HD1 ILE 48 -2.138 4.071 8.177 405 HD12 ILE 48 1HD1 ILE 48 -1.501 3.801 6.555 406 HD13 ILE 48 2HD1 ILE 48 -1.626 2.455 7.689 407 H THR 49 H THR 49 3.943 1.256 8.051 408 HA THR 49 HA THR 49 3.318 -1.553 8.609 409 HB THR 49 HB THR 49 5.985 -0.215 8.117 410 HG1 THR 49 HG1 THR 49 4.328 -0.642 6.342 411 HG21 THR 49 3HG2 THR 49 5.315 -3.141 8.452 412 HG22 THR 49 1HG2 THR 49 6.193 -2.147 9.613 413 HG23 THR 49 2HG2 THR 49 6.897 -2.484 8.031 414 H VAL 50 H VAL 50 2.922 -1.995 10.675 415 HA VAL 50 HA VAL 50 4.634 -0.743 12.722 416 HB VAL 50 HB VAL 50 1.722 -1.493 13.016 417 HG11 VAL 50 1HG1 VAL 50 2.608 -1.855 15.125 418 HG12 VAL 50 2HG1 VAL 50 3.797 -0.561 14.960 419 HG13 VAL 50 3HG1 VAL 50 2.095 -0.170 15.213 420 HG21 VAL 50 3HG2 VAL 50 1.233 0.560 12.323 421 HG22 VAL 50 1HG2 VAL 50 2.263 1.241 13.582 422 HG23 VAL 50 2HG2 VAL 50 2.942 0.855 12.001 423 H ASN 51 H ASN 51 5.708 -2.101 14.010 424 HA ASN 51 HA ASN 51 6.526 -4.038 14.881 425 HB2 ASN 51 1HB ASN 51 3.592 -4.780 14.876 426 HB3 ASN 51 2HB ASN 51 4.850 -5.637 15.761 427 HD21 ASN 51 2HD2 ASN 51 2.428 -4.141 16.626 428 HD22 ASN 51 1HD2 ASN 51 3.002 -3.001 17.790 429 H GLY 52 H GLY 52 6.558 -3.838 12.052 430 HA2 GLY 52 1HA GLY 52 7.170 -5.195 10.295 431 HA3 GLY 52 2HA GLY 52 7.059 -6.566 11.389 432 H LYS 53 H LYS 53 4.211 -4.807 11.438 433 HA LYS 53 HA LYS 53 2.964 -6.702 9.561 434 HB2 LYS 53 1HB LYS 53 1.705 -5.247 11.894 435 HB3 LYS 53 2HB LYS 53 0.900 -6.409 10.848 436 HG2 LYS 53 1HG LYS 53 2.524 -8.129 11.612 437 HG3 LYS 53 2HG LYS 53 3.158 -6.949 12.762 438 HD2 LYS 53 1HD LYS 53 1.572 -8.379 13.884 439 HD3 LYS 53 2HD LYS 53 0.892 -6.756 13.746 440 HE2 LYS 53 1HE LYS 53 -0.688 -7.401 12.219 441 HE3 LYS 53 2HE LYS 53 0.299 -8.721 11.593 442 HZ1 LYS 53 3HZ LYS 53 -0.393 -9.152 14.317 443 HZ2 LYS 53 1HZ LYS 53 -0.671 -10.140 12.972 444 HZ3 LYS 53 2HZ LYS 53 -1.779 -8.928 13.373 445 H THR 54 H THR 54 2.394 -5.835 7.689 446 HA THR 54 HA THR 54 2.197 -3.006 7.306 447 HB THR 54 HB THR 54 1.041 -4.379 5.096 448 HG1 THR 54 HG1 THR 54 1.987 -6.286 5.841 449 HG21 THR 54 3HG2 THR 54 2.257 -2.457 4.631 450 HG22 THR 54 1HG2 THR 54 3.359 -3.732 4.112 451 HG23 THR 54 2HG2 THR 54 3.602 -2.935 5.666 452 H TYR 55 H TYR 55 0.456 -1.742 7.426 453 HA TYR 55 HA TYR 55 -2.195 -3.027 7.516 454 HB2 TYR 55 1HB TYR 55 -1.167 -0.669 9.100 455 HB3 TYR 55 2HB TYR 55 -2.866 -1.119 9.017 456 HD1 TYR 55 HD1 TYR 55 -3.614 -3.289 9.980 457 HD2 TYR 55 HD2 TYR 55 0.353 -1.845 10.504 458 HE1 TYR 55 HE1 TYR 55 -3.294 -4.863 11.842 459 HE2 TYR 55 HE2 TYR 55 0.685 -3.416 12.367 460 HH TYR 55 HH TYR 55 -1.753 -5.817 13.203 461 H GLU 56 H GLU 56 -3.924 -1.932 6.553 462 HA GLU 56 HA GLU 56 -3.256 0.439 4.956 463 HB2 GLU 56 1HB GLU 56 -4.497 -2.119 3.954 464 HB3 GLU 56 2HB GLU 56 -4.654 -0.596 3.091 465 HG2 GLU 56 1HG GLU 56 -2.105 -0.503 3.148 466 HG3 GLU 56 2HG GLU 56 -2.180 -2.201 3.613 467 H ARG 57 H ARG 57 -4.917 1.885 4.649 468 HA ARG 57 HA ARG 57 -7.598 1.200 5.549 469 HB2 ARG 57 1HB ARG 57 -7.645 3.298 6.979 470 HB3 ARG 57 2HB ARG 57 -6.729 1.941 7.622 471 HG2 ARG 57 1HG ARG 57 -4.658 2.960 7.025 472 HG3 ARG 57 2HG ARG 57 -5.485 4.234 6.126 473 HD2 ARG 57 1HD ARG 57 -6.622 4.780 8.371 474 HD3 ARG 57 2HD ARG 57 -5.338 3.808 9.090 475 HE ARG 57 HE ARG 57 -4.202 5.708 7.360 476 HH11 ARG 57 1HH1 ARG 57 -5.850 5.503 10.419 477 HH12 ARG 57 2HH1 ARG 57 -5.092 6.918 11.071 478 HH21 ARG 57 1HH2 ARG 57 -3.197 7.573 8.206 479 HH22 ARG 57 2HH2 ARG 57 -3.584 8.096 9.810 480 H GLN 58 H GLN 58 -9.210 2.630 4.807 481 HA GLN 58 HA GLN 58 -8.386 4.174 2.472 482 HB2 GLN 58 1HB GLN 58 -11.015 3.081 3.433 483 HB3 GLN 58 2HB GLN 58 -10.954 4.304 2.171 484 HG2 GLN 58 1HG GLN 58 -9.271 2.660 1.052 485 HG3 GLN 58 2HG GLN 58 -10.031 1.473 2.111 486 HE21 GLN 58 2HE2 GLN 58 -10.615 3.801 -0.448 487 HE22 GLN 58 1HE2 GLN 58 -12.065 3.071 -1.038 488 H GLY 59 H GLY 59 -8.513 6.342 2.319 489 HA2 GLY 59 1HA GLY 59 -9.931 7.807 4.443 490 HA3 GLY 59 2HA GLY 59 -8.253 8.194 4.091 491 H PHE 60 H PHE 60 -10.813 9.753 3.866 492 HA PHE 60 HA PHE 60 -10.943 10.261 0.995 493 HB2 PHE 60 1HB PHE 60 -12.534 11.539 3.227 494 HB3 PHE 60 2HB PHE 60 -12.863 11.658 1.502 495 HD1 PHE 60 HD1 PHE 60 -12.794 9.337 4.373 496 HD2 PHE 60 HD2 PHE 60 -14.106 10.005 0.379 497 HE1 PHE 60 HE1 PHE 60 -14.232 7.345 4.515 498 HE2 PHE 60 HE2 PHE 60 -15.546 8.015 0.516 499 HZ PHE 60 HZ PHE 60 -15.611 6.683 2.586 500 H VAL 61 H VAL 61 -9.938 11.901 0.028 501 HA VAL 61 HA VAL 61 -9.065 14.198 1.630 502 HB VAL 61 HB VAL 61 -6.893 14.174 0.306 503 HG11 VAL 61 1HG1 VAL 61 -6.072 13.519 2.260 504 HG12 VAL 61 2HG1 VAL 61 -7.649 12.859 2.699 505 HG13 VAL 61 3HG1 VAL 61 -6.464 11.842 1.878 506 HG21 VAL 61 3HG2 VAL 61 -6.137 11.999 -0.522 507 HG22 VAL 61 1HG2 VAL 61 -7.717 11.307 -0.152 508 HG23 VAL 61 2HG2 VAL 61 -7.567 12.553 -1.392 509 HA PRO 62 HA PRO 62 -10.451 16.629 -1.753 510 HB2 PRO 62 1HB PRO 62 -8.745 18.738 -1.626 511 HB3 PRO 62 2HB PRO 62 -10.035 18.472 -0.446 512 HG2 PRO 62 1HG PRO 62 -7.118 17.831 -0.241 513 HG3 PRO 62 2HG PRO 62 -8.194 18.545 0.974 514 HD2 PRO 62 1HD PRO 62 -7.499 15.928 1.002 515 HD3 PRO 62 2HD PRO 62 -9.078 16.503 1.575 516 H ALA 63 H ALA 63 -10.139 15.847 -3.754 517 HA ALA 63 HA ALA 63 -7.686 15.066 -4.861 518 HB1 ALA 63 1HB ALA 63 -8.843 14.643 -6.825 519 HB2 ALA 63 2HB ALA 63 -10.102 14.511 -5.597 520 HB3 ALA 63 3HB ALA 63 -9.969 15.976 -6.568 521 H ALA 64 H ALA 64 -9.315 18.156 -4.781 522 HA ALA 64 HA ALA 64 -7.904 19.456 -6.835 523 HB1 ALA 64 1HB ALA 64 -9.944 20.367 -5.854 524 HB2 ALA 64 2HB ALA 64 -9.098 20.639 -4.330 525 HB3 ALA 64 3HB ALA 64 -8.624 21.535 -5.773 526 H TYR 65 H TYR 65 -6.889 18.385 -3.766 527 HA TYR 65 HA TYR 65 -4.636 20.254 -3.684 528 HB2 TYR 65 1HB TYR 65 -5.929 18.440 -1.695 529 HB3 TYR 65 2HB TYR 65 -4.232 18.851 -1.476 530 HD1 TYR 65 HD1 TYR 65 -6.985 20.989 -2.780 531 HD2 TYR 65 HD2 TYR 65 -4.241 20.260 0.388 532 HE1 TYR 65 HE1 TYR 65 -7.642 23.114 -1.731 533 HE2 TYR 65 HE2 TYR 65 -4.891 22.383 1.447 534 HH TYR 65 HH TYR 65 -6.039 24.288 1.200 535 H VAL 66 H VAL 66 -5.408 17.169 -4.793 536 HA VAL 66 HA VAL 66 -2.552 16.450 -4.915 537 HB VAL 66 HB VAL 66 -3.103 14.111 -4.758 538 HG11 VAL 66 1HG1 VAL 66 -3.167 15.829 -2.682 539 HG12 VAL 66 2HG1 VAL 66 -4.752 15.071 -2.513 540 HG13 VAL 66 3HG1 VAL 66 -3.294 14.079 -2.511 541 HG21 VAL 66 3HG2 VAL 66 -5.793 14.048 -3.967 542 HG22 VAL 66 1HG2 VAL 66 -5.737 15.035 -5.427 543 HG23 VAL 66 2HG2 VAL 66 -5.091 13.394 -5.446 544 H LYS 67 H LYS 67 -2.528 14.412 -6.620 545 HA LYS 67 HA LYS 67 -4.183 14.829 -8.922 546 HB2 LYS 67 1HB LYS 67 -2.434 15.558 -10.451 547 HB3 LYS 67 2HB LYS 67 -2.633 16.727 -9.152 548 HG2 LYS 67 1HG LYS 67 -0.561 16.390 -8.352 549 HG3 LYS 67 2HG LYS 67 -0.604 14.655 -8.674 550 HD2 LYS 67 1HD LYS 67 1.074 15.753 -10.059 551 HD3 LYS 67 2HD LYS 67 -0.225 15.093 -11.056 552 HE2 LYS 67 1HE LYS 67 -0.524 17.894 -10.147 553 HE3 LYS 67 2HE LYS 67 0.729 17.579 -11.346 554 HZ1 LYS 67 3HZ LYS 67 -2.139 17.550 -11.635 555 HZ2 LYS 67 1HZ LYS 67 -1.370 16.216 -12.335 556 HZ3 LYS 67 2HZ LYS 67 -0.935 17.782 -12.801 557 H LYS 68 H LYS 68 -3.405 13.446 -10.791 558 HA LYS 68 HA LYS 68 -2.862 10.824 -9.815 559 HB2 LYS 68 1HB LYS 68 -3.460 12.063 -12.440 560 HB3 LYS 68 2HB LYS 68 -2.586 10.537 -12.480 561 HG2 LYS 68 1HG LYS 68 -4.348 9.344 -11.657 562 HG3 LYS 68 2HG LYS 68 -5.011 10.721 -10.774 563 HD2 LYS 68 1HD LYS 68 -5.933 11.659 -12.734 564 HD3 LYS 68 2HD LYS 68 -4.992 10.593 -13.779 565 HE2 LYS 68 1HE LYS 68 -7.216 9.763 -13.769 566 HE3 LYS 68 2HE LYS 68 -6.256 8.667 -12.777 567 HZ1 LYS 68 3HZ LYS 68 -7.190 9.492 -10.829 568 HZ2 LYS 68 1HZ LYS 68 -8.507 9.407 -11.887 569 HZ3 LYS 68 2HZ LYS 68 -7.772 10.897 -11.571 570 H LEU 69 H LEU 69 -0.997 9.729 -9.691 571 HA LEU 69 HA LEU 69 1.476 11.004 -9.797 572 HB2 LEU 69 1HB LEU 69 1.021 8.946 -8.537 573 HB3 LEU 69 2HB LEU 69 0.897 8.056 -10.053 574 HG LEU 69 HG LEU 69 3.276 8.545 -10.500 575 HD11 LEU 69 1HD1 LEU 69 4.641 9.358 -8.565 576 HD12 LEU 69 2HD1 LEU 69 3.134 9.833 -7.783 577 HD13 LEU 69 3HD1 LEU 69 3.608 10.578 -9.310 578 HD21 LEU 69 3HD2 LEU 69 2.569 7.149 -7.929 579 HD22 LEU 69 1HD2 LEU 69 4.179 7.098 -8.648 580 HD23 LEU 69 2HD2 LEU 69 2.800 6.436 -9.527 581 H ASP 70 H ASP 70 -0.368 9.461 -12.292 582 HA ASP 70 HA ASP 70 1.877 9.824 -14.166 583 HB2 ASP 70 1HB ASP 70 0.537 8.181 -15.613 584 HB3 ASP 70 2HB ASP 70 1.358 7.528 -14.198 Start of MODEL 9 1 H1 MET 1 H MET 1 -3.596 -10.034 -3.877 2 HA MET 1 HA MET 1 -3.393 -7.844 -5.384 3 HB2 MET 1 1HB MET 1 -4.946 -8.284 -2.859 4 HB3 MET 1 2HB MET 1 -5.032 -6.731 -3.678 5 HG2 MET 1 1HG MET 1 -5.960 -7.698 -5.621 6 HG3 MET 1 2HG MET 1 -5.590 -9.330 -5.069 7 HE1 MET 1 3HE MET 1 -9.132 -10.104 -4.589 8 HE2 MET 1 1HE MET 1 -7.659 -10.253 -5.546 9 HE3 MET 1 2HE MET 1 -7.687 -10.823 -3.877 10 H ASP 2 H ASP 2 -0.908 -7.706 -4.605 11 HA ASP 2 HA ASP 2 -0.774 -5.280 -2.942 12 HB2 ASP 2 1HB ASP 2 0.115 -7.475 -1.887 13 HB3 ASP 2 2HB ASP 2 1.462 -7.287 -3.006 14 H GLU 3 H GLU 3 -1.078 -4.877 -5.532 15 HA GLU 3 HA GLU 3 1.609 -4.520 -6.669 16 HB2 GLU 3 1HB GLU 3 -1.096 -4.910 -7.853 17 HB3 GLU 3 2HB GLU 3 0.053 -3.922 -8.746 18 HG2 GLU 3 1HG GLU 3 0.487 -5.969 -9.641 19 HG3 GLU 3 2HG GLU 3 1.654 -5.951 -8.321 20 H THR 4 H THR 4 -1.472 -2.829 -6.173 21 HA THR 4 HA THR 4 -2.010 -0.611 -6.127 22 HB THR 4 HB THR 4 -0.720 0.757 -4.708 23 HG1 THR 4 HG1 THR 4 1.560 -0.031 -4.257 24 HG21 THR 4 3HG2 THR 4 0.352 -1.659 -3.475 25 HG22 THR 4 1HG2 THR 4 -1.331 -1.827 -3.971 26 HG23 THR 4 2HG2 THR 4 -0.861 -0.527 -2.876 27 H GLY 5 H GLY 5 -0.753 -1.616 -8.576 28 HA2 GLY 5 1HA GLY 5 0.580 0.846 -9.514 29 HA3 GLY 5 2HA GLY 5 0.818 -0.745 -10.221 30 H LYS 6 H LYS 6 -2.232 0.800 -9.310 31 HA LYS 6 HA LYS 6 -3.111 0.505 -12.098 32 HB2 LYS 6 1HB LYS 6 -4.556 0.541 -9.470 33 HB3 LYS 6 2HB LYS 6 -5.418 0.930 -10.953 34 HG2 LYS 6 1HG LYS 6 -5.824 -1.314 -10.778 35 HG3 LYS 6 2HG LYS 6 -4.385 -1.313 -11.800 36 HD2 LYS 6 1HD LYS 6 -3.770 -2.882 -10.251 37 HD3 LYS 6 2HD LYS 6 -3.153 -1.426 -9.468 38 HE2 LYS 6 1HE LYS 6 -4.285 -2.479 -7.746 39 HE3 LYS 6 2HE LYS 6 -5.487 -1.338 -8.348 40 HZ1 LYS 6 3HZ LYS 6 -5.480 -3.986 -9.560 41 HZ2 LYS 6 1HZ LYS 6 -6.781 -2.983 -9.154 42 HZ3 LYS 6 2HZ LYS 6 -6.010 -3.895 -7.956 43 H GLU 7 H GLU 7 -4.121 2.682 -9.470 44 HA GLU 7 HA GLU 7 -3.544 4.969 -11.221 45 HB2 GLU 7 1HB GLU 7 -6.069 4.110 -10.955 46 HB3 GLU 7 2HB GLU 7 -5.975 5.121 -9.520 47 HG2 GLU 7 1HG GLU 7 -6.833 6.510 -11.188 48 HG3 GLU 7 2HG GLU 7 -5.135 6.961 -11.049 49 H LEU 8 H LEU 8 -1.848 5.782 -10.104 50 HA LEU 8 HA LEU 8 -2.103 6.149 -7.210 51 HB2 LEU 8 1HB LEU 8 0.162 6.018 -9.124 52 HB3 LEU 8 2HB LEU 8 0.367 7.007 -7.680 53 HG LEU 8 HG LEU 8 -0.524 4.159 -7.438 54 HD11 LEU 8 1HD1 LEU 8 2.230 5.163 -8.041 55 HD12 LEU 8 2HD1 LEU 8 1.374 3.776 -8.714 56 HD13 LEU 8 3HD1 LEU 8 1.989 3.716 -7.062 57 HD21 LEU 8 3HD2 LEU 8 1.318 4.988 -5.464 58 HD22 LEU 8 1HD2 LEU 8 -0.407 4.667 -5.284 59 HD23 LEU 8 2HD2 LEU 8 0.151 6.294 -5.673 60 H VAL 9 H VAL 9 -1.830 8.163 -6.220 61 HA VAL 9 HA VAL 9 -1.925 10.503 -8.001 62 HB VAL 9 HB VAL 9 -3.517 11.550 -6.339 63 HG11 VAL 9 1HG1 VAL 9 -5.332 10.897 -7.571 64 HG12 VAL 9 2HG1 VAL 9 -4.031 10.318 -8.613 65 HG13 VAL 9 3HG1 VAL 9 -4.875 9.194 -7.547 66 HG21 VAL 9 3HG2 VAL 9 -4.670 10.260 -4.773 67 HG22 VAL 9 1HG2 VAL 9 -4.174 8.741 -5.520 68 HG23 VAL 9 2HG2 VAL 9 -3.003 9.705 -4.620 69 H LEU 10 H LEU 10 -0.947 12.367 -7.239 70 HA LEU 10 HA LEU 10 0.720 12.001 -4.842 71 HB2 LEU 10 1HB LEU 10 1.226 13.071 -7.496 72 HB3 LEU 10 2HB LEU 10 1.723 14.180 -6.220 73 HG LEU 10 HG LEU 10 2.611 11.381 -5.914 74 HD11 LEU 10 1HD1 LEU 10 3.500 13.141 -8.175 75 HD12 LEU 10 2HD1 LEU 10 3.030 11.442 -8.213 76 HD13 LEU 10 3HD1 LEU 10 4.559 11.916 -7.474 77 HD21 LEU 10 3HD2 LEU 10 3.165 13.400 -4.452 78 HD22 LEU 10 1HD2 LEU 10 4.213 13.916 -5.773 79 HD23 LEU 10 2HD2 LEU 10 4.507 12.376 -4.964 80 H ALA 11 H ALA 11 0.975 13.725 -3.377 81 HA ALA 11 HA ALA 11 -1.343 15.493 -3.260 82 HB1 ALA 11 1HB ALA 11 -0.379 15.996 -0.944 83 HB2 ALA 11 2HB ALA 11 -1.026 14.380 -1.228 84 HB3 ALA 11 3HB ALA 11 0.717 14.647 -1.249 85 H LEU 12 H LEU 12 -1.162 17.417 -4.196 86 HA LEU 12 HA LEU 12 1.407 18.655 -4.627 87 HB2 LEU 12 1HB LEU 12 -1.338 19.775 -5.163 88 HB3 LEU 12 2HB LEU 12 0.189 20.352 -5.825 89 HG LEU 12 HG LEU 12 -0.737 17.566 -6.404 90 HD11 LEU 12 1HD1 LEU 12 -2.614 18.424 -7.289 91 HD12 LEU 12 2HD1 LEU 12 -1.545 18.929 -8.597 92 HD13 LEU 12 3HD1 LEU 12 -1.974 20.068 -7.321 93 HD21 LEU 12 3HD2 LEU 12 0.470 18.992 -8.567 94 HD22 LEU 12 1HD2 LEU 12 1.053 17.563 -7.713 95 HD23 LEU 12 2HD2 LEU 12 1.465 19.173 -7.121 96 H TYR 13 H TYR 13 -1.302 19.027 -2.453 97 HA TYR 13 HA TYR 13 0.133 21.228 -1.118 98 HB2 TYR 13 1HB TYR 13 -2.854 20.756 -1.193 99 HB3 TYR 13 2HB TYR 13 -2.041 22.067 -0.346 100 HD1 TYR 13 HD2 TYR 13 -2.718 20.670 -3.713 101 HD2 TYR 13 HD1 TYR 13 -1.466 24.060 -1.467 102 HE1 TYR 13 HE2 TYR 13 -2.856 22.057 -5.740 103 HE2 TYR 13 HE1 TYR 13 -1.602 25.457 -3.488 104 HH TYR 13 HH TYR 13 -2.437 24.055 -6.636 105 H ASP 14 H ASP 14 -0.181 21.355 1.220 106 HA ASP 14 HA ASP 14 0.057 18.748 2.422 107 HB2 ASP 14 1HB ASP 14 0.587 19.969 4.474 108 HB3 ASP 14 2HB ASP 14 1.515 20.605 3.119 109 H TYR 15 H TYR 15 -1.340 17.747 3.798 110 HA TYR 15 HA TYR 15 -3.800 19.120 4.573 111 HB2 TYR 15 1HB TYR 15 -4.172 17.907 2.383 112 HB3 TYR 15 2HB TYR 15 -3.880 16.405 3.252 113 HD1 TYR 15 HD1 TYR 15 -5.982 19.483 3.584 114 HD2 TYR 15 HD2 TYR 15 -5.728 15.258 4.013 115 HE1 TYR 15 HE1 TYR 15 -8.350 19.414 4.244 116 HE2 TYR 15 HE2 TYR 15 -8.096 15.177 4.673 117 HH TYR 15 HH TYR 15 -9.938 18.087 5.267 118 H GLN 16 H GLN 16 -5.026 17.932 6.214 119 HA GLN 16 HA GLN 16 -3.403 15.984 7.701 120 HB2 GLN 16 1HB GLN 16 -4.306 17.121 9.806 121 HB3 GLN 16 2HB GLN 16 -3.028 17.951 8.929 122 HG2 GLN 16 1HG GLN 16 -4.671 19.551 9.594 123 HG3 GLN 16 2HG GLN 16 -4.744 19.359 7.843 124 HE21 GLN 16 2HE2 GLN 16 -6.708 19.264 7.053 125 HE22 GLN 16 1HE2 GLN 16 -8.112 18.666 7.864 126 H GLU 17 H GLU 17 -4.597 14.575 9.098 127 HA GLU 17 HA GLU 17 -7.266 14.030 8.063 128 HB2 GLU 17 1HB GLU 17 -7.053 11.863 9.004 129 HB3 GLU 17 2HB GLU 17 -5.489 12.245 8.299 130 HG2 GLU 17 1HG GLU 17 -4.719 12.928 10.573 131 HG3 GLU 17 2HG GLU 17 -6.243 12.311 11.208 132 H LYS 18 H LYS 18 -9.112 14.260 9.186 133 HA LYS 18 HA LYS 18 -8.896 15.332 11.917 134 HB2 LYS 18 1HB LYS 18 -9.974 16.723 10.077 135 HB3 LYS 18 2HB LYS 18 -11.287 15.552 10.092 136 HG2 LYS 18 1HG LYS 18 -10.545 16.690 12.707 137 HG3 LYS 18 2HG LYS 18 -11.278 17.803 11.549 138 HD2 LYS 18 1HD LYS 18 -12.572 15.159 11.856 139 HD3 LYS 18 2HD LYS 18 -12.709 16.271 13.220 140 HE2 LYS 18 1HE LYS 18 -13.434 18.007 11.477 141 HE3 LYS 18 2HE LYS 18 -13.655 16.634 10.393 142 HZ1 LYS 18 3HZ LYS 18 -15.584 17.535 11.935 143 HZ2 LYS 18 1HZ LYS 18 -14.882 16.457 13.035 144 HZ3 LYS 18 2HZ LYS 18 -15.444 15.895 11.542 145 H SER 19 H SER 19 -10.225 12.786 9.980 146 HA SER 19 HA SER 19 -11.529 11.675 12.379 147 HB2 SER 19 1HB SER 19 -12.486 10.558 9.864 148 HB3 SER 19 2HB SER 19 -13.400 11.241 11.208 149 HG SER 19 HG SER 19 -12.166 12.652 9.078 150 HA PRO 20 HA PRO 20 -9.042 8.077 12.066 151 HB2 PRO 20 1HB PRO 20 -10.790 6.096 12.693 152 HB3 PRO 20 2HB PRO 20 -10.176 7.248 13.885 153 HG2 PRO 20 1HG PRO 20 -12.787 7.249 12.421 154 HG3 PRO 20 2HG PRO 20 -12.463 7.592 14.130 155 HD2 PRO 20 1HD PRO 20 -12.860 9.549 12.301 156 HD3 PRO 20 2HD PRO 20 -11.782 9.751 13.697 157 H ARG 21 H ARG 21 -11.782 8.433 10.029 158 HA ARG 21 HA ARG 21 -11.211 6.044 8.473 159 HB2 ARG 21 1HB ARG 21 -13.532 7.356 8.987 160 HB3 ARG 21 2HB ARG 21 -13.120 8.032 7.417 161 HG2 ARG 21 1HG ARG 21 -13.153 5.905 6.387 162 HG3 ARG 21 2HG ARG 21 -13.207 5.077 7.944 163 HD2 ARG 21 1HD ARG 21 -15.427 5.916 8.363 164 HD3 ARG 21 2HD ARG 21 -15.370 6.900 6.902 165 HE ARG 21 HE ARG 21 -14.966 4.166 6.283 166 HH11 ARG 21 1HH1 ARG 21 -17.436 6.446 7.189 167 HH12 ARG 21 2HH1 ARG 21 -18.715 5.565 6.420 168 HH21 ARG 21 1HH2 ARG 21 -16.640 2.997 5.267 169 HH22 ARG 21 2HH2 ARG 21 -18.261 3.602 5.328 170 H GLU 22 H GLU 22 -10.628 9.470 8.382 171 HA GLU 22 HA GLU 22 -9.844 9.500 5.606 172 HB2 GLU 22 1HB GLU 22 -9.523 11.579 7.778 173 HB3 GLU 22 2HB GLU 22 -9.160 11.835 6.077 174 HG2 GLU 22 1HG GLU 22 -11.559 11.270 5.590 175 HG3 GLU 22 2HG GLU 22 -11.842 11.323 7.329 176 H VAL 23 H VAL 23 -7.600 10.785 5.301 177 HA VAL 23 HA VAL 23 -5.537 9.551 6.974 178 HB VAL 23 HB VAL 23 -4.234 9.031 4.853 179 HG11 VAL 23 1HG1 VAL 23 -5.733 7.468 6.394 180 HG12 VAL 23 2HG1 VAL 23 -6.628 7.281 4.885 181 HG13 VAL 23 3HG1 VAL 23 -4.915 6.863 4.954 182 HG21 VAL 23 3HG2 VAL 23 -5.542 8.633 2.827 183 HG22 VAL 23 1HG2 VAL 23 -6.981 9.265 3.628 184 HG23 VAL 23 2HG2 VAL 23 -5.611 10.329 3.306 185 H THR 24 H THR 24 -3.585 10.665 7.043 186 HA THR 24 HA THR 24 -3.760 13.449 6.211 187 HB THR 24 HB THR 24 -1.692 12.044 7.914 188 HG1 THR 24 HG1 THR 24 -3.050 12.418 9.484 189 HG21 THR 24 3HG2 THR 24 -1.727 14.824 8.384 190 HG22 THR 24 1HG2 THR 24 -1.654 14.609 6.635 191 HG23 THR 24 2HG2 THR 24 -0.432 13.865 7.667 192 H MET 25 H MET 25 -2.621 14.346 4.601 193 HA MET 25 HA MET 25 -0.410 12.809 3.420 194 HB2 MET 25 1HB MET 25 -1.197 13.609 1.170 195 HB3 MET 25 2HB MET 25 -2.244 12.425 1.943 196 HG2 MET 25 1HG MET 25 -3.627 14.376 2.757 197 HG3 MET 25 2HG MET 25 -2.681 15.380 1.660 198 HE1 MET 25 3HE MET 25 -5.322 15.891 1.106 199 HE2 MET 25 1HE MET 25 -4.296 16.163 -0.302 200 HE3 MET 25 2HE MET 25 -5.826 15.304 -0.480 201 H LYS 26 H LYS 26 1.176 14.065 2.313 202 HA LYS 26 HA LYS 26 1.070 16.957 2.813 203 HB2 LYS 26 1HB LYS 26 3.363 16.966 3.612 204 HB3 LYS 26 2HB LYS 26 2.387 15.901 4.615 205 HG2 LYS 26 1HG LYS 26 3.256 13.971 3.324 206 HG3 LYS 26 2HG LYS 26 4.319 15.082 2.457 207 HD2 LYS 26 1HD LYS 26 5.667 14.221 4.162 208 HD3 LYS 26 2HD LYS 26 5.148 15.790 4.781 209 HE2 LYS 26 1HE LYS 26 3.719 14.854 6.330 210 HE3 LYS 26 2HE LYS 26 3.533 13.361 5.411 211 HZ1 LYS 26 3HZ LYS 26 6.111 13.231 5.982 212 HZ2 LYS 26 1HZ LYS 26 4.917 12.600 7.001 213 HZ3 LYS 26 2HZ LYS 26 5.590 14.117 7.325 214 H LYS 27 H LYS 27 2.844 18.119 1.603 215 HA LYS 27 HA LYS 27 2.636 17.701 -1.117 216 HB2 LYS 27 1HB LYS 27 4.636 19.173 0.566 217 HB3 LYS 27 2HB LYS 27 4.857 19.069 -1.175 218 HG2 LYS 27 1HG LYS 27 3.668 20.972 -1.168 219 HG3 LYS 27 2HG LYS 27 2.291 19.871 -1.077 220 HD2 LYS 27 1HD LYS 27 2.044 20.197 1.236 221 HD3 LYS 27 2HD LYS 27 3.652 20.908 1.393 222 HE2 LYS 27 1HE LYS 27 1.680 22.257 -0.378 223 HE3 LYS 27 2HE LYS 27 1.463 22.395 1.366 224 HZ1 LYS 27 3HZ LYS 27 3.019 24.012 -0.090 225 HZ2 LYS 27 1HZ LYS 27 4.158 22.874 0.430 226 HZ3 LYS 27 2HZ LYS 27 3.237 23.727 1.563 227 H GLY 28 H GLY 28 3.297 16.058 -2.327 228 HA2 GLY 28 1HA GLY 28 5.041 14.814 -3.362 229 HA3 GLY 28 2HA GLY 28 5.995 14.987 -1.896 230 H ASP 29 H ASP 29 2.866 14.221 -1.061 231 HA ASP 29 HA ASP 29 3.630 11.553 -0.291 232 HB2 ASP 29 1HB ASP 29 2.314 12.742 1.293 233 HB3 ASP 29 2HB ASP 29 1.113 13.174 0.078 234 H ILE 30 H ILE 30 2.955 9.644 -1.137 235 HA ILE 30 HA ILE 30 1.323 9.795 -3.587 236 HB ILE 30 HB ILE 30 3.331 7.647 -2.910 237 HG12 ILE 30 1HG1 ILE 30 3.648 10.033 -4.745 238 HG13 ILE 30 2HG1 ILE 30 4.445 9.829 -3.190 239 HG21 ILE 30 1HG2 ILE 30 2.681 8.086 -5.702 240 HG22 ILE 30 2HG2 ILE 30 2.655 6.598 -4.756 241 HG23 ILE 30 3HG2 ILE 30 1.260 7.677 -4.742 242 HD11 ILE 30 3HD1 ILE 30 6.111 9.140 -4.561 243 HD12 ILE 30 1HD1 ILE 30 5.286 7.598 -4.330 244 HD13 ILE 30 2HD1 ILE 30 5.002 8.540 -5.794 245 H LEU 31 H LEU 31 -0.538 8.709 -3.638 246 HA LEU 31 HA LEU 31 -0.970 6.546 -1.695 247 HB2 LEU 31 1HB LEU 31 -3.161 8.452 -2.420 248 HB3 LEU 31 2HB LEU 31 -3.059 7.350 -1.048 249 HG LEU 31 HG LEU 31 -0.950 9.112 -0.660 250 HD11 LEU 31 1HD1 LEU 31 -3.315 10.850 -1.148 251 HD12 LEU 31 2HD1 LEU 31 -2.276 10.425 -2.509 252 HD13 LEU 31 3HD1 LEU 31 -1.599 11.258 -1.109 253 HD21 LEU 31 3HD2 LEU 31 -2.970 10.089 0.908 254 HD22 LEU 31 1HD2 LEU 31 -1.947 8.707 1.300 255 HD23 LEU 31 2HD2 LEU 31 -3.523 8.452 0.551 256 H THR 32 H THR 32 -2.766 5.103 -2.279 257 HA THR 32 HA THR 32 -2.807 4.678 -5.170 258 HB THR 32 HB THR 32 -3.757 2.857 -2.950 259 HG1 THR 32 HG1 THR 32 -1.317 3.055 -4.386 260 HG21 THR 32 3HG2 THR 32 -4.575 1.502 -4.521 261 HG22 THR 32 1HG2 THR 32 -3.070 1.573 -5.436 262 HG23 THR 32 2HG2 THR 32 -4.318 2.793 -5.695 263 H LEU 33 H LEU 33 -4.382 5.829 -6.128 264 HA LEU 33 HA LEU 33 -6.786 6.657 -5.001 265 HB2 LEU 33 1HB LEU 33 -5.538 7.154 -7.317 266 HB3 LEU 33 2HB LEU 33 -6.774 6.039 -7.896 267 HG LEU 33 HG LEU 33 -7.530 8.300 -8.206 268 HD11 LEU 33 1HD1 LEU 33 -9.279 6.784 -7.680 269 HD12 LEU 33 2HD1 LEU 33 -9.585 8.262 -6.767 270 HD13 LEU 33 3HD1 LEU 33 -8.907 6.850 -5.957 271 HD21 LEU 33 3HD2 LEU 33 -6.211 8.750 -5.737 272 HD22 LEU 33 1HD2 LEU 33 -7.906 9.194 -5.537 273 HD23 LEU 33 2HD2 LEU 33 -6.948 9.930 -6.821 274 H LEU 34 H LEU 34 -8.374 5.448 -4.222 275 HA LEU 34 HA LEU 34 -8.877 2.807 -5.383 276 HB2 LEU 34 1HB LEU 34 -8.667 3.580 -2.793 277 HB3 LEU 34 2HB LEU 34 -10.412 3.661 -3.023 278 HG LEU 34 HG LEU 34 -10.429 1.304 -3.696 279 HD11 LEU 34 1HD1 LEU 34 -8.341 -0.025 -3.247 280 HD12 LEU 34 2HD1 LEU 34 -7.470 1.507 -3.195 281 HD13 LEU 34 3HD1 LEU 34 -8.292 1.010 -4.674 282 HD21 LEU 34 3HD2 LEU 34 -9.424 0.462 -1.391 283 HD22 LEU 34 1HD2 LEU 34 -10.921 1.390 -1.475 284 HD23 LEU 34 2HD2 LEU 34 -9.408 2.194 -1.054 285 H ASN 35 H ASN 35 -10.555 5.808 -4.520 286 HA ASN 35 HA ASN 35 -12.573 5.185 -6.548 287 HB2 ASN 35 1HB ASN 35 -13.636 4.487 -4.504 288 HB3 ASN 35 2HB ASN 35 -13.163 5.976 -3.691 289 HD21 ASN 35 2HD2 ASN 35 -14.154 7.948 -4.354 290 HD22 ASN 35 1HD2 ASN 35 -15.724 7.933 -5.076 291 H SER 36 H SER 36 -12.675 6.820 -7.925 292 HA SER 36 HA SER 36 -12.282 9.555 -6.908 293 HB2 SER 36 1HB SER 36 -11.395 9.728 -9.494 294 HB3 SER 36 2HB SER 36 -10.350 9.551 -8.085 295 HG SER 36 HG SER 36 -10.580 7.901 -10.110 296 H THR 37 H THR 37 -14.656 7.824 -7.647 297 HA THR 37 HA THR 37 -15.845 8.630 -10.020 298 HB THR 37 HB THR 37 -16.756 6.859 -8.551 299 HG1 THR 37 HG1 THR 37 -18.858 7.301 -9.106 300 HG21 THR 37 3HG2 THR 37 -18.350 8.630 -6.891 301 HG22 THR 37 1HG2 THR 37 -16.624 8.797 -6.573 302 HG23 THR 37 2HG2 THR 37 -17.397 7.217 -6.439 303 H ASN 38 H ASN 38 -15.381 10.383 -7.067 304 HA ASN 38 HA ASN 38 -17.226 12.492 -7.903 305 HB2 ASN 38 1HB ASN 38 -16.179 11.555 -5.361 306 HB3 ASN 38 2HB ASN 38 -15.987 13.297 -5.534 307 HD21 ASN 38 2HD2 ASN 38 -17.669 14.539 -5.096 308 HD22 ASN 38 1HD2 ASN 38 -19.300 13.998 -4.910 309 H LYS 39 H LYS 39 -16.268 14.785 -7.218 310 HA LYS 39 HA LYS 39 -13.621 15.010 -8.496 311 HB2 LYS 39 1HB LYS 39 -14.336 17.165 -9.413 312 HB3 LYS 39 2HB LYS 39 -15.391 15.867 -9.954 313 HG2 LYS 39 1HG LYS 39 -16.839 16.595 -7.900 314 HG3 LYS 39 2HG LYS 39 -15.950 18.110 -8.079 315 HD2 LYS 39 1HD LYS 39 -16.713 18.356 -10.342 316 HD3 LYS 39 2HD LYS 39 -17.449 16.752 -10.317 317 HE2 LYS 39 1HE LYS 39 -19.037 17.481 -8.633 318 HE3 LYS 39 2HE LYS 39 -18.267 19.065 -8.561 319 HZ1 LYS 39 3HZ LYS 39 -19.738 17.898 -10.858 320 HZ2 LYS 39 1HZ LYS 39 -18.851 19.336 -10.941 321 HZ3 LYS 39 2HZ LYS 39 -20.196 19.230 -9.922 322 H ASP 40 H ASP 40 -15.439 15.547 -5.718 323 HA ASP 40 HA ASP 40 -13.681 17.700 -4.778 324 HB2 ASP 40 1HB ASP 40 -16.120 16.593 -3.382 325 HB3 ASP 40 2HB ASP 40 -15.281 18.104 -3.043 326 H TRP 41 H TRP 41 -15.169 14.802 -3.320 327 HA TRP 41 HA TRP 41 -12.789 14.483 -1.651 328 HB2 TRP 41 1HB TRP 41 -15.542 13.244 -1.542 329 HB3 TRP 41 2HB TRP 41 -14.217 12.734 -0.498 330 HD1 TRP 41 HD1 TRP 41 -16.995 15.168 -0.660 331 HE1 TRP 41 HE1 TRP 41 -16.801 16.886 1.247 332 HE3 TRP 41 HE3 TRP 41 -12.222 14.152 0.867 333 HZ2 TRP 41 HZ2 TRP 41 -14.880 17.703 3.147 334 HZ3 TRP 41 HZ3 TRP 41 -11.281 15.447 2.735 335 HH2 TRP 41 HH2 TRP 41 -12.584 17.186 3.850 336 H TRP 42 H TRP 42 -11.268 13.046 -2.120 337 HA TRP 42 HA TRP 42 -11.934 10.863 -3.985 338 HB2 TRP 42 1HB TRP 42 -9.565 12.654 -3.770 339 HB3 TRP 42 2HB TRP 42 -9.283 10.986 -4.261 340 HD1 TRP 42 HD1 TRP 42 -12.565 12.274 -5.482 341 HE1 TRP 42 HE1 TRP 42 -12.416 12.825 -7.992 342 HE3 TRP 42 HE3 TRP 42 -7.495 11.988 -6.077 343 HZ2 TRP 42 HZ2 TRP 42 -10.414 13.100 -9.964 344 HZ3 TRP 42 HZ3 TRP 42 -6.544 12.408 -8.307 345 HH2 TRP 42 HH2 TRP 42 -7.975 12.952 -10.209 346 H LYS 43 H LYS 43 -11.494 8.811 -3.404 347 HA LYS 43 HA LYS 43 -10.446 8.388 -0.704 348 HB2 LYS 43 1HB LYS 43 -11.651 6.258 -2.450 349 HB3 LYS 43 2HB LYS 43 -11.561 6.318 -0.695 350 HG2 LYS 43 1HG LYS 43 -13.060 8.482 -1.096 351 HG3 LYS 43 2HG LYS 43 -13.499 7.572 -2.543 352 HD2 LYS 43 1HD LYS 43 -13.602 6.455 0.256 353 HD3 LYS 43 2HD LYS 43 -14.987 7.161 -0.581 354 HE2 LYS 43 1HE LYS 43 -13.454 5.021 -1.961 355 HE3 LYS 43 2HE LYS 43 -14.501 4.557 -0.620 356 HZ1 LYS 43 3HZ LYS 43 -16.356 5.045 -1.782 357 HZ2 LYS 43 1HZ LYS 43 -15.355 4.752 -3.114 358 HZ3 LYS 43 2HZ LYS 43 -15.652 6.340 -2.612 359 H VAL 44 H VAL 44 -8.459 7.649 -0.373 360 HA VAL 44 HA VAL 44 -7.135 6.125 -2.514 361 HB VAL 44 HB VAL 44 -4.977 7.282 -1.649 362 HG11 VAL 44 1HG1 VAL 44 -5.544 9.298 -3.197 363 HG12 VAL 44 2HG1 VAL 44 -5.484 7.667 -3.869 364 HG13 VAL 44 3HG1 VAL 44 -7.039 8.410 -3.493 365 HG21 VAL 44 3HG2 VAL 44 -6.015 8.416 0.250 366 HG22 VAL 44 1HG2 VAL 44 -5.310 9.577 -0.876 367 HG23 VAL 44 2HG2 VAL 44 -7.055 9.321 -0.851 368 H GLU 45 H GLU 45 -5.456 4.696 -1.805 369 HA GLU 45 HA GLU 45 -5.867 3.794 0.959 370 HB2 GLU 45 1HB GLU 45 -6.126 2.323 -1.239 371 HB3 GLU 45 2HB GLU 45 -4.389 2.142 -1.034 372 HG2 GLU 45 1HG GLU 45 -4.655 1.139 1.096 373 HG3 GLU 45 2HG GLU 45 -6.367 1.556 1.149 374 H VAL 46 H VAL 46 -4.214 3.633 2.391 375 HA VAL 46 HA VAL 46 -1.539 4.443 1.453 376 HB VAL 46 HB VAL 46 -1.157 5.612 3.530 377 HG11 VAL 46 1HG1 VAL 46 -2.530 6.618 1.550 378 HG12 VAL 46 2HG1 VAL 46 -3.854 6.602 2.716 379 HG13 VAL 46 3HG1 VAL 46 -2.381 7.508 3.065 380 HG21 VAL 46 3HG2 VAL 46 -2.990 5.901 5.176 381 HG22 VAL 46 1HG2 VAL 46 -3.936 4.713 4.280 382 HG23 VAL 46 2HG2 VAL 46 -2.423 4.236 5.051 383 H LYS 47 H LYS 47 0.089 3.957 3.393 384 HA LYS 47 HA LYS 47 -0.437 1.209 4.317 385 HB2 LYS 47 1HB LYS 47 1.202 1.473 2.355 386 HB3 LYS 47 2HB LYS 47 2.296 2.195 3.527 387 HG2 LYS 47 1HG LYS 47 3.005 0.039 3.621 388 HG3 LYS 47 2HG LYS 47 1.757 -0.012 4.869 389 HD2 LYS 47 1HD LYS 47 0.236 -1.104 3.465 390 HD3 LYS 47 2HD LYS 47 1.130 -0.665 2.007 391 HE2 LYS 47 1HE LYS 47 2.521 -2.331 4.032 392 HE3 LYS 47 2HE LYS 47 1.252 -3.097 3.077 393 HZ1 LYS 47 3HZ LYS 47 3.586 -3.219 2.163 394 HZ2 LYS 47 1HZ LYS 47 3.455 -1.565 1.828 395 HZ3 LYS 47 2HZ LYS 47 2.398 -2.663 1.095 396 H ILE 48 H ILE 48 -0.469 1.114 6.455 397 HA ILE 48 HA ILE 48 1.109 3.071 7.984 398 HB ILE 48 HB ILE 48 -1.184 1.407 9.017 399 HG12 ILE 48 1HG1 ILE 48 -2.241 3.862 8.905 400 HG13 ILE 48 2HG1 ILE 48 -1.135 3.992 7.542 401 HG21 ILE 48 1HG2 ILE 48 0.494 3.620 10.114 402 HG22 ILE 48 2HG2 ILE 48 -1.168 3.424 10.668 403 HG23 ILE 48 3HG2 ILE 48 -0.010 2.110 10.873 404 HD11 ILE 48 3HD1 ILE 48 -3.505 3.256 7.046 405 HD12 ILE 48 1HD1 ILE 48 -2.208 2.270 6.373 406 HD13 ILE 48 2HD1 ILE 48 -3.076 1.725 7.808 407 H THR 49 H THR 49 2.304 2.393 9.800 408 HA THR 49 HA THR 49 2.901 -0.494 9.868 409 HB THR 49 HB THR 49 4.848 1.787 10.262 410 HG1 THR 49 HG1 THR 49 4.642 -0.193 8.217 411 HG21 THR 49 3HG2 THR 49 5.584 0.091 11.707 412 HG22 THR 49 1HG2 THR 49 6.509 -0.170 10.229 413 HG23 THR 49 2HG2 THR 49 5.115 -1.189 10.589 414 H VAL 50 H VAL 50 1.965 -1.227 11.677 415 HA VAL 50 HA VAL 50 2.473 0.249 14.178 416 HB VAL 50 HB VAL 50 0.031 -1.412 13.540 417 HG11 VAL 50 1HG1 VAL 50 -0.744 -0.200 15.700 418 HG12 VAL 50 2HG1 VAL 50 0.296 -1.620 15.830 419 HG13 VAL 50 3HG1 VAL 50 0.983 -0.004 16.001 420 HG21 VAL 50 3HG2 VAL 50 -1.042 0.939 13.895 421 HG22 VAL 50 1HG2 VAL 50 0.565 1.525 13.467 422 HG23 VAL 50 2HG2 VAL 50 -0.339 0.520 12.333 423 H ASN 51 H ASN 51 3.606 -0.833 15.646 424 HA ASN 51 HA ASN 51 4.708 -2.510 16.719 425 HB2 ASN 51 1HB ASN 51 2.255 -3.106 17.150 426 HB3 ASN 51 2HB ASN 51 2.446 -4.325 15.893 427 HD21 ASN 51 2HD2 ASN 51 3.974 -3.184 18.878 428 HD22 ASN 51 1HD2 ASN 51 4.420 -4.752 19.452 429 H GLY 52 H GLY 52 5.271 -2.080 13.906 430 HA2 GLY 52 1HA GLY 52 6.771 -3.036 12.427 431 HA3 GLY 52 2HA GLY 52 6.787 -4.476 13.433 432 H LYS 53 H LYS 53 3.625 -3.757 12.820 433 HA LYS 53 HA LYS 53 3.541 -5.708 10.625 434 HB2 LYS 53 1HB LYS 53 1.652 -4.995 12.833 435 HB3 LYS 53 2HB LYS 53 1.011 -5.687 11.349 436 HG2 LYS 53 1HG LYS 53 1.347 -7.456 12.904 437 HG3 LYS 53 2HG LYS 53 2.575 -7.602 11.644 438 HD2 LYS 53 1HD LYS 53 4.237 -6.617 13.085 439 HD3 LYS 53 2HD LYS 53 3.022 -6.282 14.320 440 HE2 LYS 53 1HE LYS 53 4.395 -8.275 14.825 441 HE3 LYS 53 2HE LYS 53 2.676 -8.639 14.683 442 HZ1 LYS 53 3HZ LYS 53 4.670 -9.944 13.398 443 HZ2 LYS 53 1HZ LYS 53 4.100 -8.892 12.202 444 HZ3 LYS 53 2HZ LYS 53 3.038 -9.973 12.952 445 H THR 54 H THR 54 2.988 -5.066 8.653 446 HA THR 54 HA THR 54 2.247 -2.330 8.167 447 HB THR 54 HB THR 54 1.961 -3.512 5.739 448 HG1 THR 54 HG1 THR 54 4.073 -4.972 6.937 449 HG21 THR 54 3HG2 THR 54 3.399 -1.664 6.001 450 HG22 THR 54 1HG2 THR 54 4.440 -2.977 5.450 451 HG23 THR 54 2HG2 THR 54 4.423 -2.520 7.154 452 H TYR 55 H TYR 55 0.280 -1.518 7.750 453 HA TYR 55 HA TYR 55 -1.947 -3.413 7.386 454 HB2 TYR 55 1HB TYR 55 -1.860 -0.903 9.063 455 HB3 TYR 55 2HB TYR 55 -3.357 -1.720 8.626 456 HD1 TYR 55 HD1 TYR 55 -3.841 -3.976 9.514 457 HD2 TYR 55 HD2 TYR 55 -0.422 -1.774 10.766 458 HE1 TYR 55 HE1 TYR 55 -3.598 -5.468 11.454 459 HE2 TYR 55 HE2 TYR 55 -0.168 -3.261 12.709 460 HH TYR 55 HH TYR 55 -1.200 -4.850 13.957 461 H GLU 56 H GLU 56 -3.661 -2.742 6.057 462 HA GLU 56 HA GLU 56 -3.061 -0.404 4.365 463 HB2 GLU 56 1HB GLU 56 -3.932 -3.171 3.653 464 HB3 GLU 56 2HB GLU 56 -4.480 -1.833 2.653 465 HG2 GLU 56 1HG GLU 56 -2.352 -1.328 1.923 466 HG3 GLU 56 2HG GLU 56 -1.581 -2.114 3.300 467 H ARG 57 H ARG 57 -4.737 0.936 3.792 468 HA ARG 57 HA ARG 57 -7.475 0.312 4.263 469 HB2 ARG 57 1HB ARG 57 -7.956 1.715 6.117 470 HB3 ARG 57 2HB ARG 57 -6.591 0.715 6.597 471 HG2 ARG 57 1HG ARG 57 -5.100 2.639 5.952 472 HG3 ARG 57 2HG ARG 57 -6.565 3.610 5.796 473 HD2 ARG 57 1HD ARG 57 -5.541 3.910 7.989 474 HD3 ARG 57 2HD ARG 57 -7.125 3.148 8.127 475 HE ARG 57 HE ARG 57 -5.270 1.099 8.022 476 HH11 ARG 57 1HH1 ARG 57 -6.000 3.797 10.098 477 HH12 ARG 57 2HH1 ARG 57 -5.410 3.023 11.530 478 HH21 ARG 57 1HH2 ARG 57 -4.489 0.068 9.902 479 HH22 ARG 57 2HH2 ARG 57 -4.550 0.902 11.418 480 H GLN 58 H GLN 58 -8.907 2.078 3.687 481 HA GLN 58 HA GLN 58 -7.573 4.021 1.926 482 HB2 GLN 58 1HB GLN 58 -9.463 3.982 0.512 483 HB3 GLN 58 2HB GLN 58 -9.157 2.300 0.925 484 HG2 GLN 58 1HG GLN 58 -10.933 2.361 2.578 485 HG3 GLN 58 2HG GLN 58 -11.221 4.064 2.224 486 HE21 GLN 58 2HE2 GLN 58 -11.129 4.138 -0.479 487 HE22 GLN 58 1HE2 GLN 58 -12.406 3.188 -1.150 488 H GLY 59 H GLY 59 -8.169 6.181 1.965 489 HA2 GLY 59 1HA GLY 59 -10.091 6.992 4.041 490 HA3 GLY 59 2HA GLY 59 -8.470 7.671 4.051 491 H PHE 60 H PHE 60 -10.803 9.220 3.868 492 HA PHE 60 HA PHE 60 -11.039 10.008 1.074 493 HB2 PHE 60 1HB PHE 60 -12.398 11.337 3.411 494 HB3 PHE 60 2HB PHE 60 -12.902 11.313 1.724 495 HD1 PHE 60 HD2 PHE 60 -12.700 9.363 4.829 496 HD2 PHE 60 HD1 PHE 60 -14.142 9.483 0.826 497 HE1 PHE 60 HE2 PHE 60 -14.140 7.423 5.293 498 HE2 PHE 60 HE1 PHE 60 -15.585 7.543 1.284 499 HZ PHE 60 HZ PHE 60 -15.585 6.510 3.520 500 H VAL 61 H VAL 61 -10.357 11.939 0.233 501 HA VAL 61 HA VAL 61 -9.160 13.949 1.944 502 HB VAL 61 HB VAL 61 -7.047 13.938 0.504 503 HG11 VAL 61 1HG1 VAL 61 -7.476 11.620 2.386 504 HG12 VAL 61 2HG1 VAL 61 -5.931 12.362 1.965 505 HG13 VAL 61 3HG1 VAL 61 -7.130 13.278 2.878 506 HG21 VAL 61 3HG2 VAL 61 -7.934 11.099 -0.002 507 HG22 VAL 61 1HG2 VAL 61 -7.909 12.388 -1.206 508 HG23 VAL 61 2HG2 VAL 61 -6.401 11.823 -0.488 509 HA PRO 62 HA PRO 62 -10.560 16.678 -1.197 510 HB2 PRO 62 1HB PRO 62 -8.751 18.693 -1.004 511 HB3 PRO 62 2HB PRO 62 -9.999 18.404 0.213 512 HG2 PRO 62 1HG PRO 62 -7.111 17.618 0.239 513 HG3 PRO 62 2HG PRO 62 -8.099 18.292 1.548 514 HD2 PRO 62 1HD PRO 62 -7.529 15.652 1.364 515 HD3 PRO 62 2HD PRO 62 -9.053 16.255 2.047 516 H ALA 63 H ALA 63 -10.369 16.010 -3.256 517 HA ALA 63 HA ALA 63 -8.009 15.204 -4.527 518 HB1 ALA 63 1HB ALA 63 -10.471 14.807 -5.189 519 HB2 ALA 63 2HB ALA 63 -10.322 16.338 -6.053 520 HB3 ALA 63 3HB ALA 63 -9.267 14.987 -6.466 521 H ALA 64 H ALA 64 -9.507 18.353 -4.206 522 HA ALA 64 HA ALA 64 -8.109 19.725 -6.212 523 HB1 ALA 64 1HB ALA 64 -8.699 21.755 -5.010 524 HB2 ALA 64 2HB ALA 64 -10.068 20.643 -5.060 525 HB3 ALA 64 3HB ALA 64 -9.117 20.806 -3.583 526 H TYR 65 H TYR 65 -7.033 18.426 -3.246 527 HA TYR 65 HA TYR 65 -4.699 20.182 -3.128 528 HB2 TYR 65 1HB TYR 65 -5.955 18.223 -1.249 529 HB3 TYR 65 2HB TYR 65 -4.246 18.603 -1.066 530 HD1 TYR 65 HD1 TYR 65 -7.177 20.745 -1.948 531 HD2 TYR 65 HD2 TYR 65 -4.014 19.965 0.789 532 HE1 TYR 65 HE1 TYR 65 -7.769 22.777 -0.695 533 HE2 TYR 65 HE2 TYR 65 -4.598 21.995 2.051 534 HH TYR 65 HH TYR 65 -5.967 23.729 2.218 535 H VAL 66 H VAL 66 -5.642 17.156 -4.353 536 HA VAL 66 HA VAL 66 -2.820 16.365 -4.677 537 HB VAL 66 HB VAL 66 -3.479 14.053 -4.732 538 HG11 VAL 66 1HG1 VAL 66 -3.387 15.519 -2.503 539 HG12 VAL 66 2HG1 VAL 66 -5.046 14.928 -2.379 540 HG13 VAL 66 3HG1 VAL 66 -3.707 13.785 -2.491 541 HG21 VAL 66 3HG2 VAL 66 -5.505 13.522 -5.484 542 HG22 VAL 66 1HG2 VAL 66 -6.146 13.998 -3.911 543 HG23 VAL 66 2HG2 VAL 66 -6.091 15.166 -5.231 544 H LYS 67 H LYS 67 -2.881 14.542 -6.580 545 HA LYS 67 HA LYS 67 -4.576 15.224 -8.789 546 HB2 LYS 67 1HB LYS 67 -2.858 16.084 -10.274 547 HB3 LYS 67 2HB LYS 67 -2.975 17.103 -8.845 548 HG2 LYS 67 1HG LYS 67 -0.954 16.328 -7.978 549 HG3 LYS 67 2HG LYS 67 -0.946 14.907 -9.025 550 HD2 LYS 67 1HD LYS 67 -0.837 17.673 -10.178 551 HD3 LYS 67 2HD LYS 67 0.625 16.878 -9.591 552 HE2 LYS 67 1HE LYS 67 0.386 15.104 -11.151 553 HE3 LYS 67 2HE LYS 67 -1.246 15.613 -11.581 554 HZ1 LYS 67 3HZ LYS 67 -0.009 17.789 -12.266 555 HZ2 LYS 67 1HZ LYS 67 -0.048 16.461 -13.313 556 HZ3 LYS 67 2HZ LYS 67 1.331 16.763 -12.382 557 H LYS 68 H LYS 68 -3.731 14.080 -10.846 558 HA LYS 68 HA LYS 68 -3.242 11.341 -10.131 559 HB2 LYS 68 1HB LYS 68 -3.968 12.830 -12.584 560 HB3 LYS 68 2HB LYS 68 -3.087 11.327 -12.828 561 HG2 LYS 68 1HG LYS 68 -4.782 10.034 -11.949 562 HG3 LYS 68 2HG LYS 68 -5.474 11.377 -11.036 563 HD2 LYS 68 1HD LYS 68 -6.974 11.029 -12.805 564 HD3 LYS 68 2HD LYS 68 -6.005 12.416 -13.311 565 HE2 LYS 68 1HE LYS 68 -6.034 11.106 -15.219 566 HE3 LYS 68 2HE LYS 68 -4.514 10.635 -14.461 567 HZ1 LYS 68 3HZ LYS 68 -5.944 8.769 -15.289 568 HZ2 LYS 68 1HZ LYS 68 -7.040 9.141 -14.055 569 HZ3 LYS 68 2HZ LYS 68 -5.470 8.646 -13.670 570 H LEU 69 H LEU 69 -1.441 10.107 -10.523 571 HA LEU 69 HA LEU 69 1.068 11.248 -10.330 572 HB2 LEU 69 1HB LEU 69 1.924 9.127 -10.490 573 HB3 LEU 69 2HB LEU 69 0.255 8.795 -10.029 574 HG LEU 69 HG LEU 69 -0.031 8.627 -12.669 575 HD11 LEU 69 1HD1 LEU 69 2.608 7.325 -12.538 576 HD12 LEU 69 2HD1 LEU 69 2.619 9.087 -12.621 577 HD13 LEU 69 3HD1 LEU 69 1.809 8.151 -13.877 578 HD21 LEU 69 3HD2 LEU 69 -0.411 6.917 -10.809 579 HD22 LEU 69 1HD2 LEU 69 1.209 6.330 -11.185 580 HD23 LEU 69 2HD2 LEU 69 -0.049 6.298 -12.420 581 H ASP 70 H ASP 70 -0.862 10.631 -13.157 582 HA ASP 70 HA ASP 70 -0.594 11.155 -15.354 583 HB2 ASP 70 1HB ASP 70 0.156 13.353 -14.077 584 HB3 ASP 70 2HB ASP 70 1.728 12.932 -14.750 Start of MODEL 10 1 H1 MET 1 H MET 1 -1.507 -10.075 -5.204 2 HA MET 1 HA MET 1 -1.861 -8.022 -6.679 3 HB2 MET 1 1HB MET 1 -3.595 -8.774 -4.359 4 HB3 MET 1 2HB MET 1 -4.022 -7.374 -5.334 5 HG2 MET 1 1HG MET 1 -3.447 -9.985 -6.657 6 HG3 MET 1 2HG MET 1 -5.010 -9.707 -5.892 7 HE1 MET 1 3HE MET 1 -3.467 -8.088 -9.830 8 HE2 MET 1 1HE MET 1 -2.457 -8.654 -8.499 9 HE3 MET 1 2HE MET 1 -3.545 -9.774 -9.317 10 H ASP 2 H ASP 2 0.249 -7.421 -4.674 11 HA ASP 2 HA ASP 2 -0.641 -4.742 -3.835 12 HB2 ASP 2 1HB ASP 2 0.145 -6.333 -2.044 13 HB3 ASP 2 2HB ASP 2 1.743 -6.271 -2.783 14 H GLU 3 H GLU 3 -0.214 -4.378 -6.256 15 HA GLU 3 HA GLU 3 2.635 -3.807 -6.714 16 HB2 GLU 3 1HB GLU 3 0.346 -4.348 -8.587 17 HB3 GLU 3 2HB GLU 3 1.809 -3.550 -9.148 18 HG2 GLU 3 1HG GLU 3 2.951 -5.628 -7.976 19 HG3 GLU 3 2HG GLU 3 1.380 -6.357 -8.305 20 H THR 4 H THR 4 -0.518 -2.405 -6.430 21 HA THR 4 HA THR 4 -1.296 -0.262 -6.535 22 HB THR 4 HB THR 4 -0.048 1.372 -5.386 23 HG1 THR 4 HG1 THR 4 1.948 1.653 -6.011 24 HG21 THR 4 3HG2 THR 4 0.130 0.276 -3.438 25 HG22 THR 4 1HG2 THR 4 1.399 -0.783 -4.052 26 HG23 THR 4 2HG2 THR 4 -0.295 -1.170 -4.354 27 H GLY 5 H GLY 5 -0.159 -1.378 -8.995 28 HA2 GLY 5 1HA GLY 5 0.887 1.057 -10.282 29 HA3 GLY 5 2HA GLY 5 1.074 -0.576 -10.903 30 H LYS 6 H LYS 6 -1.895 0.888 -9.680 31 HA LYS 6 HA LYS 6 -3.027 0.642 -12.391 32 HB2 LYS 6 1HB LYS 6 -4.269 0.164 -9.687 33 HB3 LYS 6 2HB LYS 6 -5.245 0.420 -11.128 34 HG2 LYS 6 1HG LYS 6 -5.138 -1.875 -11.013 35 HG3 LYS 6 2HG LYS 6 -3.821 -1.502 -12.128 36 HD2 LYS 6 1HD LYS 6 -2.185 -1.944 -10.540 37 HD3 LYS 6 2HD LYS 6 -3.298 -1.720 -9.188 38 HE2 LYS 6 1HE LYS 6 -3.498 -3.984 -11.165 39 HE3 LYS 6 2HE LYS 6 -2.625 -4.096 -9.638 40 HZ1 LYS 6 3HZ LYS 6 -5.518 -3.872 -10.107 41 HZ2 LYS 6 1HZ LYS 6 -4.868 -3.291 -8.658 42 HZ3 LYS 6 2HZ LYS 6 -4.677 -4.918 -9.078 43 H GLU 7 H GLU 7 -3.447 2.410 -9.322 44 HA GLU 7 HA GLU 7 -3.841 4.866 -10.862 45 HB2 GLU 7 1HB GLU 7 -5.668 4.140 -8.575 46 HB3 GLU 7 2HB GLU 7 -5.816 5.499 -9.682 47 HG2 GLU 7 1HG GLU 7 -7.374 4.114 -10.573 48 HG3 GLU 7 2HG GLU 7 -5.960 3.577 -11.478 49 H LEU 8 H LEU 8 -2.065 5.929 -10.196 50 HA LEU 8 HA LEU 8 -1.568 6.106 -7.300 51 HB2 LEU 8 1HB LEU 8 0.190 5.167 -8.959 52 HB3 LEU 8 2HB LEU 8 0.436 6.857 -9.393 53 HG LEU 8 HG LEU 8 2.088 6.000 -7.761 54 HD11 LEU 8 1HD1 LEU 8 2.267 8.040 -6.862 55 HD12 LEU 8 2HD1 LEU 8 0.664 7.966 -6.131 56 HD13 LEU 8 3HD1 LEU 8 0.840 8.425 -7.824 57 HD21 LEU 8 3HD2 LEU 8 0.092 4.649 -6.616 58 HD22 LEU 8 1HD2 LEU 8 0.081 6.082 -5.587 59 HD23 LEU 8 2HD2 LEU 8 1.551 5.119 -5.742 60 H VAL 9 H VAL 9 -1.603 8.043 -6.310 61 HA VAL 9 HA VAL 9 -1.796 10.454 -7.989 62 HB VAL 9 HB VAL 9 -3.425 11.383 -6.349 63 HG11 VAL 9 1HG1 VAL 9 -5.197 10.606 -7.535 64 HG12 VAL 9 2HG1 VAL 9 -3.909 9.936 -8.539 65 HG13 VAL 9 3HG1 VAL 9 -4.723 8.918 -7.350 66 HG21 VAL 9 3HG2 VAL 9 -2.697 9.144 -4.844 67 HG22 VAL 9 1HG2 VAL 9 -3.948 10.328 -4.462 68 HG23 VAL 9 2HG2 VAL 9 -4.366 8.855 -5.337 69 H LEU 10 H LEU 10 -0.726 12.238 -7.267 70 HA LEU 10 HA LEU 10 0.899 11.881 -4.843 71 HB2 LEU 10 1HB LEU 10 2.045 12.183 -7.055 72 HB3 LEU 10 2HB LEU 10 1.371 13.811 -7.106 73 HG LEU 10 HG LEU 10 2.606 13.999 -4.769 74 HD11 LEU 10 1HD1 LEU 10 4.180 12.490 -4.310 75 HD12 LEU 10 2HD1 LEU 10 4.757 12.458 -5.975 76 HD13 LEU 10 3HD1 LEU 10 3.381 11.463 -5.501 77 HD21 LEU 10 3HD2 LEU 10 2.951 15.124 -7.139 78 HD22 LEU 10 1HD2 LEU 10 4.416 14.141 -7.121 79 HD23 LEU 10 2HD2 LEU 10 4.129 15.318 -5.839 80 H ALA 11 H ALA 11 1.065 13.528 -3.322 81 HA ALA 11 HA ALA 11 -1.204 15.359 -3.280 82 HB1 ALA 11 1HB ALA 11 -0.686 15.679 -0.937 83 HB2 ALA 11 2HB ALA 11 -0.743 13.956 -1.309 84 HB3 ALA 11 3HB ALA 11 0.812 14.765 -1.117 85 H LEU 12 H LEU 12 -1.010 17.406 -3.884 86 HA LEU 12 HA LEU 12 1.623 18.554 -4.299 87 HB2 LEU 12 1HB LEU 12 -1.118 19.682 -4.847 88 HB3 LEU 12 2HB LEU 12 0.409 20.410 -5.341 89 HG LEU 12 HG LEU 12 -0.798 17.839 -6.355 90 HD11 LEU 12 1HD1 LEU 12 -0.810 19.025 -8.498 91 HD12 LEU 12 2HD1 LEU 12 -0.192 20.470 -7.698 92 HD13 LEU 12 3HD1 LEU 12 -1.791 19.851 -7.287 93 HD21 LEU 12 3HD2 LEU 12 1.161 17.758 -7.858 94 HD22 LEU 12 1HD2 LEU 12 1.588 17.537 -6.161 95 HD23 LEU 12 2HD2 LEU 12 1.883 19.087 -6.949 96 H TYR 13 H TYR 13 -1.114 18.906 -2.153 97 HA TYR 13 HA TYR 13 0.345 21.019 -0.705 98 HB2 TYR 13 1HB TYR 13 -2.633 20.524 -0.881 99 HB3 TYR 13 2HB TYR 13 -1.885 21.703 0.191 100 HD1 TYR 13 HD1 TYR 13 -2.327 20.806 -3.385 101 HD2 TYR 13 HD2 TYR 13 -1.335 23.853 -0.586 102 HE1 TYR 13 HE1 TYR 13 -2.391 22.476 -5.189 103 HE2 TYR 13 HE2 TYR 13 -1.398 25.532 -2.382 104 HH TYR 13 HH TYR 13 -2.061 24.600 -5.745 105 H ASP 14 H ASP 14 -0.085 21.053 1.663 106 HA ASP 14 HA ASP 14 0.116 18.338 2.707 107 HB2 ASP 14 1HB ASP 14 0.750 19.554 4.843 108 HB3 ASP 14 2HB ASP 14 1.846 19.772 3.482 109 H TYR 15 H TYR 15 -1.144 17.565 4.435 110 HA TYR 15 HA TYR 15 -3.395 19.112 5.380 111 HB2 TYR 15 1HB TYR 15 -4.100 18.107 3.156 112 HB3 TYR 15 2HB TYR 15 -3.964 16.529 3.924 113 HD1 TYR 15 HD2 TYR 15 -5.481 19.840 4.798 114 HD2 TYR 15 HD1 TYR 15 -5.975 15.620 4.567 115 HE1 TYR 15 HE2 TYR 15 -7.774 20.067 5.657 116 HE2 TYR 15 HE1 TYR 15 -8.270 15.836 5.424 117 HH TYR 15 HH TYR 15 -10.057 18.147 5.335 118 H GLN 16 H GLN 16 -4.676 17.893 7.002 119 HA GLN 16 HA GLN 16 -3.145 15.710 8.240 120 HB2 GLN 16 1HB GLN 16 -3.310 16.666 10.398 121 HB3 GLN 16 2HB GLN 16 -2.755 17.960 9.345 122 HG2 GLN 16 1HG GLN 16 -5.598 17.553 10.245 123 HG3 GLN 16 2HG GLN 16 -4.458 18.701 10.945 124 HE21 GLN 16 2HE2 GLN 16 -7.045 18.628 9.119 125 HE22 GLN 16 1HE2 GLN 16 -6.724 19.913 8.009 126 H GLU 17 H GLU 17 -4.328 14.039 8.986 127 HA GLU 17 HA GLU 17 -7.036 13.794 8.225 128 HB2 GLU 17 1HB GLU 17 -6.964 11.623 9.170 129 HB3 GLU 17 2HB GLU 17 -5.356 11.921 8.525 130 HG2 GLU 17 1HG GLU 17 -4.800 11.046 10.542 131 HG3 GLU 17 2HG GLU 17 -4.895 12.751 10.981 132 H LYS 18 H LYS 18 -8.913 14.012 9.333 133 HA LYS 18 HA LYS 18 -8.716 15.037 12.089 134 HB2 LYS 18 1HB LYS 18 -10.862 16.229 11.597 135 HB3 LYS 18 2HB LYS 18 -9.489 16.793 10.655 136 HG2 LYS 18 1HG LYS 18 -10.290 15.304 8.794 137 HG3 LYS 18 2HG LYS 18 -11.758 15.048 9.739 138 HD2 LYS 18 1HD LYS 18 -10.715 17.726 8.815 139 HD3 LYS 18 2HD LYS 18 -12.032 16.824 8.059 140 HE2 LYS 18 1HE LYS 18 -13.315 16.961 10.138 141 HE3 LYS 18 2HE LYS 18 -11.996 17.853 10.896 142 HZ1 LYS 18 3HZ LYS 18 -13.004 18.954 8.405 143 HZ2 LYS 18 1HZ LYS 18 -12.542 19.740 9.830 144 HZ3 LYS 18 2HZ LYS 18 -14.069 19.022 9.718 145 H SER 19 H SER 19 -10.188 12.749 9.955 146 HA SER 19 HA SER 19 -11.745 11.678 12.217 147 HB2 SER 19 1HB SER 19 -12.716 10.860 9.590 148 HB3 SER 19 2HB SER 19 -13.603 11.538 10.955 149 HG SER 19 HG SER 19 -13.716 13.252 9.748 150 HA PRO 20 HA PRO 20 -9.702 7.826 11.743 151 HB2 PRO 20 1HB PRO 20 -11.703 6.042 12.176 152 HB3 PRO 20 2HB PRO 20 -11.003 7.031 13.463 153 HG2 PRO 20 1HG PRO 20 -13.532 7.448 11.917 154 HG3 PRO 20 2HG PRO 20 -13.239 7.639 13.655 155 HD2 PRO 20 1HD PRO 20 -13.319 9.742 11.951 156 HD3 PRO 20 2HD PRO 20 -12.283 9.720 13.393 157 H ARG 21 H ARG 21 -12.206 8.712 9.605 158 HA ARG 21 HA ARG 21 -11.859 6.358 7.912 159 HB2 ARG 21 1HB ARG 21 -13.862 8.523 8.142 160 HB3 ARG 21 2HB ARG 21 -13.552 7.937 6.514 161 HG2 ARG 21 1HG ARG 21 -14.346 6.218 8.855 162 HG3 ARG 21 2HG ARG 21 -15.433 6.789 7.588 163 HD2 ARG 21 1HD ARG 21 -13.910 5.642 5.935 164 HD3 ARG 21 2HD ARG 21 -13.104 4.902 7.317 165 HE ARG 21 HE ARG 21 -14.859 3.454 7.505 166 HH11 ARG 21 1HH1 ARG 21 -15.855 6.182 5.585 167 HH12 ARG 21 2HH1 ARG 21 -17.391 5.495 5.170 168 HH21 ARG 21 1HH2 ARG 21 -16.878 2.539 6.966 169 HH22 ARG 21 2HH2 ARG 21 -17.972 3.424 5.957 170 H GLU 22 H GLU 22 -10.920 9.687 8.129 171 HA GLU 22 HA GLU 22 -10.017 9.805 5.373 172 HB2 GLU 22 1HB GLU 22 -9.687 11.805 7.617 173 HB3 GLU 22 2HB GLU 22 -9.310 12.088 5.923 174 HG2 GLU 22 1HG GLU 22 -11.764 11.543 5.473 175 HG3 GLU 22 2HG GLU 22 -11.992 11.740 7.210 176 H VAL 23 H VAL 23 -7.722 10.788 5.089 177 HA VAL 23 HA VAL 23 -5.827 9.463 6.907 178 HB VAL 23 HB VAL 23 -4.426 8.951 4.848 179 HG11 VAL 23 1HG1 VAL 23 -6.279 7.469 6.198 180 HG12 VAL 23 2HG1 VAL 23 -6.803 7.274 4.524 181 HG13 VAL 23 3HG1 VAL 23 -5.159 6.838 4.992 182 HG21 VAL 23 3HG2 VAL 23 -7.075 9.439 3.487 183 HG22 VAL 23 1HG2 VAL 23 -5.588 10.360 3.255 184 HG23 VAL 23 2HG2 VAL 23 -5.672 8.676 2.739 185 H THR 24 H THR 24 -3.769 10.418 7.049 186 HA THR 24 HA THR 24 -3.769 13.261 6.484 187 HB THR 24 HB THR 24 -1.733 11.549 7.925 188 HG1 THR 24 HG1 THR 24 -2.666 12.640 9.771 189 HG21 THR 24 3HG2 THR 24 -0.356 13.295 7.828 190 HG22 THR 24 1HG2 THR 24 -1.559 14.269 8.672 191 HG23 THR 24 2HG2 THR 24 -1.546 14.216 6.909 192 H MET 25 H MET 25 -2.744 14.216 4.847 193 HA MET 25 HA MET 25 -0.700 12.675 3.389 194 HB2 MET 25 1HB MET 25 -1.486 13.780 1.315 195 HB3 MET 25 2HB MET 25 -2.709 12.747 2.042 196 HG2 MET 25 1HG MET 25 -3.929 14.599 2.851 197 HG3 MET 25 2HG MET 25 -2.610 15.712 2.495 198 HE1 MET 25 3HE MET 25 -3.509 13.096 -0.638 199 HE2 MET 25 1HE MET 25 -4.341 12.843 0.897 200 HE3 MET 25 2HE MET 25 -5.221 13.496 -0.485 201 H LYS 26 H LYS 26 0.957 13.912 2.354 202 HA LYS 26 HA LYS 26 1.190 16.711 3.175 203 HB2 LYS 26 1HB LYS 26 3.428 14.725 3.587 204 HB3 LYS 26 2HB LYS 26 3.416 16.422 4.048 205 HG2 LYS 26 1HG LYS 26 1.530 14.377 5.190 206 HG3 LYS 26 2HG LYS 26 3.078 14.804 5.923 207 HD2 LYS 26 1HD LYS 26 1.052 16.913 5.260 208 HD3 LYS 26 2HD LYS 26 0.938 15.986 6.758 209 HE2 LYS 26 1HE LYS 26 3.336 17.588 5.873 210 HE3 LYS 26 2HE LYS 26 2.137 18.119 7.051 211 HZ1 LYS 26 3HZ LYS 26 4.411 16.530 7.473 212 HZ2 LYS 26 1HZ LYS 26 3.045 15.600 7.834 213 HZ3 LYS 26 2HZ LYS 26 3.288 17.082 8.612 214 H LYS 27 H LYS 27 3.018 17.815 2.061 215 HA LYS 27 HA LYS 27 2.861 17.597 -0.680 216 HB2 LYS 27 1HB LYS 27 4.839 18.842 1.179 217 HB3 LYS 27 2HB LYS 27 5.239 18.751 -0.531 218 HG2 LYS 27 1HG LYS 27 4.234 20.781 -0.505 219 HG3 LYS 27 2HG LYS 27 2.808 19.775 -0.774 220 HD2 LYS 27 1HD LYS 27 2.208 19.877 1.531 221 HD3 LYS 27 2HD LYS 27 3.749 20.625 1.960 222 HE2 LYS 27 1HE LYS 27 1.958 21.980 -0.005 223 HE3 LYS 27 2HE LYS 27 1.578 22.074 1.714 224 HZ1 LYS 27 3HZ LYS 27 4.202 22.663 1.676 225 HZ2 LYS 27 1HZ LYS 27 2.960 23.812 1.684 226 HZ3 LYS 27 2HZ LYS 27 3.685 23.361 0.224 227 H GLY 28 H GLY 28 3.484 16.057 -2.037 228 HA2 GLY 28 1HA GLY 28 5.073 14.695 -3.109 229 HA3 GLY 28 2HA GLY 28 6.086 14.786 -1.676 230 H ASP 29 H ASP 29 2.868 14.115 -0.917 231 HA ASP 29 HA ASP 29 3.533 11.473 -0.030 232 HB2 ASP 29 1HB ASP 29 2.040 12.631 1.377 233 HB3 ASP 29 2HB ASP 29 1.022 13.131 0.029 234 H ILE 30 H ILE 30 2.657 9.509 -0.727 235 HA ILE 30 HA ILE 30 1.455 9.569 -3.418 236 HB ILE 30 HB ILE 30 3.418 7.551 -2.323 237 HG12 ILE 30 1HG1 ILE 30 3.837 9.187 -4.794 238 HG13 ILE 30 2HG1 ILE 30 4.122 9.926 -3.222 239 HG21 ILE 30 1HG2 ILE 30 3.054 7.189 -5.078 240 HG22 ILE 30 2HG2 ILE 30 2.560 6.109 -3.775 241 HG23 ILE 30 3HG2 ILE 30 1.438 7.324 -4.387 242 HD11 ILE 30 3HD1 ILE 30 6.100 8.954 -3.074 243 HD12 ILE 30 1HD1 ILE 30 5.392 7.362 -3.343 244 HD13 ILE 30 2HD1 ILE 30 5.878 8.354 -4.718 245 H LEU 31 H LEU 31 -0.493 8.684 -3.538 246 HA LEU 31 HA LEU 31 -1.204 6.551 -1.641 247 HB2 LEU 31 1HB LEU 31 -3.238 8.541 -2.552 248 HB3 LEU 31 2HB LEU 31 -3.261 7.492 -1.136 249 HG LEU 31 HG LEU 31 -1.106 9.186 -0.694 250 HD11 LEU 31 1HD1 LEU 31 -1.543 10.811 -2.258 251 HD12 LEU 31 2HD1 LEU 31 -2.452 11.416 -0.873 252 HD13 LEU 31 3HD1 LEU 31 -3.289 10.574 -2.178 253 HD21 LEU 31 3HD2 LEU 31 -2.228 8.897 1.219 254 HD22 LEU 31 1HD2 LEU 31 -3.769 8.678 0.390 255 HD23 LEU 31 2HD2 LEU 31 -3.168 10.303 0.717 256 H THR 32 H THR 32 -2.908 5.130 -2.369 257 HA THR 32 HA THR 32 -2.871 4.825 -5.284 258 HB THR 32 HB THR 32 -3.799 2.818 -3.223 259 HG1 THR 32 HG1 THR 32 -1.748 2.463 -2.892 260 HG21 THR 32 3HG2 THR 32 -4.484 2.733 -5.748 261 HG22 THR 32 1HG2 THR 32 -3.936 1.269 -4.932 262 HG23 THR 32 2HG2 THR 32 -2.830 2.164 -5.975 263 H LEU 33 H LEU 33 -4.527 5.779 -6.279 264 HA LEU 33 HA LEU 33 -6.943 6.546 -5.133 265 HB2 LEU 33 1HB LEU 33 -5.752 6.976 -7.508 266 HB3 LEU 33 2HB LEU 33 -6.996 5.827 -7.996 267 HG LEU 33 HG LEU 33 -7.871 7.991 -8.382 268 HD11 LEU 33 1HD1 LEU 33 -9.778 8.092 -6.830 269 HD12 LEU 33 2HD1 LEU 33 -8.972 6.921 -5.787 270 HD13 LEU 33 3HD1 LEU 33 -9.469 6.456 -7.414 271 HD21 LEU 33 3HD2 LEU 33 -8.021 9.304 -5.946 272 HD22 LEU 33 1HD2 LEU 33 -6.951 9.699 -7.292 273 HD23 LEU 33 2HD2 LEU 33 -6.380 8.655 -5.989 274 H LEU 34 H LEU 34 -8.418 5.271 -4.240 275 HA LEU 34 HA LEU 34 -8.848 2.583 -5.315 276 HB2 LEU 34 1HB LEU 34 -8.561 3.385 -2.770 277 HB3 LEU 34 2HB LEU 34 -10.313 3.500 -2.917 278 HG LEU 34 HG LEU 34 -9.025 0.969 -3.786 279 HD11 LEU 34 1HD1 LEU 34 -8.326 0.270 -1.781 280 HD12 LEU 34 2HD1 LEU 34 -9.674 1.032 -0.936 281 HD13 LEU 34 3HD1 LEU 34 -8.256 1.985 -1.374 282 HD21 LEU 34 3HD2 LEU 34 -11.169 0.402 -3.849 283 HD22 LEU 34 1HD2 LEU 34 -11.635 1.958 -3.161 284 HD23 LEU 34 2HD2 LEU 34 -11.249 0.604 -2.098 285 H ASN 35 H ASN 35 -10.549 5.598 -4.649 286 HA ASN 35 HA ASN 35 -12.599 4.831 -6.568 287 HB2 ASN 35 1HB ASN 35 -13.111 4.459 -3.890 288 HB3 ASN 35 2HB ASN 35 -13.775 6.064 -4.181 289 HD21 ASN 35 2HD2 ASN 35 -14.653 5.805 -6.772 290 HD22 ASN 35 1HD2 ASN 35 -15.947 4.662 -6.827 291 H SER 36 H SER 36 -12.658 6.455 -7.962 292 HA SER 36 HA SER 36 -12.255 9.195 -6.955 293 HB2 SER 36 1HB SER 36 -11.784 9.540 -9.549 294 HB3 SER 36 2HB SER 36 -10.523 8.973 -8.455 295 HG SER 36 HG SER 36 -11.029 6.840 -9.103 296 H THR 37 H THR 37 -14.773 7.664 -7.064 297 HA THR 37 HA THR 37 -16.407 8.390 -9.199 298 HB THR 37 HB THR 37 -17.113 6.749 -7.534 299 HG1 THR 37 HG1 THR 37 -18.712 7.974 -8.737 300 HG21 THR 37 3HG2 THR 37 -17.499 9.078 -5.653 301 HG22 THR 37 1HG2 THR 37 -16.162 7.934 -5.559 302 HG23 THR 37 2HG2 THR 37 -17.818 7.377 -5.317 303 H ASN 38 H ASN 38 -15.497 10.179 -6.311 304 HA ASN 38 HA ASN 38 -17.235 12.402 -7.070 305 HB2 ASN 38 1HB ASN 38 -16.077 11.435 -4.590 306 HB3 ASN 38 2HB ASN 38 -15.772 13.155 -4.813 307 HD21 ASN 38 2HD2 ASN 38 -17.437 14.587 -4.690 308 HD22 ASN 38 1HD2 ASN 38 -19.041 14.148 -4.220 309 H LYS 39 H LYS 39 -16.304 14.620 -6.970 310 HA LYS 39 HA LYS 39 -13.697 14.647 -8.321 311 HB2 LYS 39 1HB LYS 39 -16.034 16.544 -8.340 312 HB3 LYS 39 2HB LYS 39 -14.450 17.031 -8.928 313 HG2 LYS 39 1HG LYS 39 -14.508 15.202 -10.563 314 HG3 LYS 39 2HG LYS 39 -16.117 14.757 -9.988 315 HD2 LYS 39 1HD LYS 39 -15.535 17.537 -10.950 316 HD3 LYS 39 2HD LYS 39 -15.917 16.244 -12.089 317 HE2 LYS 39 1HE LYS 39 -17.935 15.851 -10.441 318 HE3 LYS 39 2HE LYS 39 -17.634 17.538 -10.026 319 HZ1 LYS 39 3HZ LYS 39 -18.369 16.417 -12.666 320 HZ2 LYS 39 1HZ LYS 39 -17.750 17.982 -12.488 321 HZ3 LYS 39 2HZ LYS 39 -19.211 17.560 -11.746 322 H ASP 40 H ASP 40 -15.463 15.950 -5.594 323 HA ASP 40 HA ASP 40 -13.282 17.699 -4.821 324 HB2 ASP 40 1HB ASP 40 -15.825 17.032 -3.323 325 HB3 ASP 40 2HB ASP 40 -14.714 18.351 -2.964 326 H TRP 41 H TRP 41 -14.946 14.879 -3.416 327 HA TRP 41 HA TRP 41 -12.641 14.467 -1.647 328 HB2 TRP 41 1HB TRP 41 -15.467 13.404 -1.577 329 HB3 TRP 41 2HB TRP 41 -14.193 12.805 -0.518 330 HD1 TRP 41 HD1 TRP 41 -16.791 15.434 -0.724 331 HE1 TRP 41 HE1 TRP 41 -16.515 17.123 1.198 332 HE3 TRP 41 HE3 TRP 41 -12.142 14.063 0.900 333 HZ2 TRP 41 HZ2 TRP 41 -14.582 17.788 3.144 334 HZ3 TRP 41 HZ3 TRP 41 -11.150 15.276 2.797 335 HH2 TRP 41 HH2 TRP 41 -12.346 17.100 3.894 336 H TRP 42 H TRP 42 -11.122 13.198 -2.485 337 HA TRP 42 HA TRP 42 -11.908 10.990 -4.247 338 HB2 TRP 42 1HB TRP 42 -9.463 12.647 -3.938 339 HB3 TRP 42 2HB TRP 42 -9.227 10.965 -4.406 340 HD1 TRP 42 HD1 TRP 42 -12.394 12.427 -5.760 341 HE1 TRP 42 HE1 TRP 42 -12.122 12.931 -8.269 342 HE3 TRP 42 HE3 TRP 42 -7.336 11.806 -6.168 343 HZ2 TRP 42 HZ2 TRP 42 -10.038 13.048 -10.170 344 HZ3 TRP 42 HZ3 TRP 42 -6.282 12.131 -8.367 345 HH2 TRP 42 HH2 TRP 42 -7.606 12.739 -10.325 346 H LYS 43 H LYS 43 -11.521 8.886 -3.763 347 HA LYS 43 HA LYS 43 -10.672 8.319 -1.021 348 HB2 LYS 43 1HB LYS 43 -11.964 6.480 -3.044 349 HB3 LYS 43 2HB LYS 43 -11.693 6.130 -1.342 350 HG2 LYS 43 1HG LYS 43 -13.172 8.131 -0.847 351 HG3 LYS 43 2HG LYS 43 -13.614 8.090 -2.556 352 HD2 LYS 43 1HD LYS 43 -15.264 6.868 -1.311 353 HD3 LYS 43 2HD LYS 43 -14.311 5.719 -2.254 354 HE2 LYS 43 1HE LYS 43 -13.222 4.894 -0.387 355 HE3 LYS 43 2HE LYS 43 -13.528 6.349 0.561 356 HZ1 LYS 43 3HZ LYS 43 -14.898 4.550 1.345 357 HZ2 LYS 43 1HZ LYS 43 -15.534 4.296 -0.202 358 HZ3 LYS 43 2HZ LYS 43 -15.884 5.725 0.632 359 H VAL 44 H VAL 44 -8.630 7.768 -0.685 360 HA VAL 44 HA VAL 44 -7.254 6.143 -2.720 361 HB VAL 44 HB VAL 44 -5.128 7.339 -1.825 362 HG11 VAL 44 1HG1 VAL 44 -5.605 7.618 -4.079 363 HG12 VAL 44 2HG1 VAL 44 -7.135 8.436 -3.757 364 HG13 VAL 44 3HG1 VAL 44 -5.609 9.273 -3.470 365 HG21 VAL 44 3HG2 VAL 44 -6.238 8.532 -0.002 366 HG22 VAL 44 1HG2 VAL 44 -5.494 9.655 -1.140 367 HG23 VAL 44 2HG2 VAL 44 -7.238 9.395 -1.171 368 H GLU 45 H GLU 45 -5.426 4.888 -1.863 369 HA GLU 45 HA GLU 45 -5.958 4.031 0.903 370 HB2 GLU 45 1HB GLU 45 -6.411 2.257 -0.654 371 HB3 GLU 45 2HB GLU 45 -4.869 2.503 -1.462 372 HG2 GLU 45 1HG GLU 45 -3.661 1.548 0.278 373 HG3 GLU 45 2HG GLU 45 -4.982 1.744 1.429 374 H VAL 46 H VAL 46 -4.323 3.912 2.366 375 HA VAL 46 HA VAL 46 -1.659 4.788 1.451 376 HB VAL 46 HB VAL 46 -1.318 5.893 3.571 377 HG11 VAL 46 1HG1 VAL 46 -4.045 6.784 2.706 378 HG12 VAL 46 2HG1 VAL 46 -2.667 7.757 3.224 379 HG13 VAL 46 3HG1 VAL 46 -2.649 6.970 1.645 380 HG21 VAL 46 3HG2 VAL 46 -4.096 4.958 4.291 381 HG22 VAL 46 1HG2 VAL 46 -2.588 4.371 4.992 382 HG23 VAL 46 2HG2 VAL 46 -3.092 6.041 5.255 383 H LYS 47 H LYS 47 0.005 4.272 3.326 384 HA LYS 47 HA LYS 47 -0.433 1.480 4.161 385 HB2 LYS 47 1HB LYS 47 1.212 1.922 2.215 386 HB3 LYS 47 2HB LYS 47 2.278 2.571 3.454 387 HG2 LYS 47 1HG LYS 47 3.028 0.447 3.485 388 HG3 LYS 47 2HG LYS 47 1.675 0.233 4.598 389 HD2 LYS 47 1HD LYS 47 0.322 -0.270 2.431 390 HD3 LYS 47 2HD LYS 47 1.913 -0.566 1.724 391 HE2 LYS 47 1HE LYS 47 1.211 -2.668 2.472 392 HE3 LYS 47 2HE LYS 47 2.313 -2.105 3.727 393 HZ1 LYS 47 3HZ LYS 47 -0.490 -1.433 4.094 394 HZ2 LYS 47 1HZ LYS 47 0.661 -1.937 5.227 395 HZ3 LYS 47 2HZ LYS 47 -0.102 -3.074 4.235 396 H ILE 48 H ILE 48 -0.655 1.480 6.301 397 HA ILE 48 HA ILE 48 0.910 3.370 7.907 398 HB ILE 48 HB ILE 48 -1.393 1.614 8.766 399 HG12 ILE 48 1HG1 ILE 48 -1.398 4.594 8.258 400 HG13 ILE 48 2HG1 ILE 48 -1.955 3.406 7.084 401 HG21 ILE 48 1HG2 ILE 48 0.084 2.167 10.605 402 HG22 ILE 48 2HG2 ILE 48 0.026 3.874 10.170 403 HG23 ILE 48 3HG2 ILE 48 -1.426 3.064 10.756 404 HD11 ILE 48 3HD1 ILE 48 -3.153 3.186 9.755 405 HD12 ILE 48 1HD1 ILE 48 -3.548 4.653 8.859 406 HD13 ILE 48 2HD1 ILE 48 -3.893 3.071 8.159 407 H THR 49 H THR 49 2.215 2.704 9.605 408 HA THR 49 HA THR 49 2.797 -0.182 9.726 409 HB THR 49 HB THR 49 4.804 2.076 9.864 410 HG1 THR 49 HG1 THR 49 4.110 1.547 7.735 411 HG21 THR 49 3HG2 THR 49 5.379 0.235 11.380 412 HG22 THR 49 1HG2 THR 49 6.494 0.315 10.016 413 HG23 THR 49 2HG2 THR 49 5.225 -0.910 10.047 414 H VAL 50 H VAL 50 1.995 -0.819 11.632 415 HA VAL 50 HA VAL 50 2.699 0.766 14.017 416 HB VAL 50 HB VAL 50 0.227 -0.936 13.674 417 HG11 VAL 50 1HG1 VAL 50 -0.471 0.092 15.793 418 HG12 VAL 50 2HG1 VAL 50 1.011 -0.849 15.973 419 HG13 VAL 50 3HG1 VAL 50 1.086 0.912 15.899 420 HG21 VAL 50 3HG2 VAL 50 -0.672 1.595 14.044 421 HG22 VAL 50 1HG2 VAL 50 0.780 1.890 13.087 422 HG23 VAL 50 2HG2 VAL 50 -0.484 0.827 12.467 423 H ASN 51 H ASN 51 3.868 -0.252 15.511 424 HA ASN 51 HA ASN 51 5.066 -1.877 16.563 425 HB2 ASN 51 1HB ASN 51 2.450 -3.275 16.039 426 HB3 ASN 51 2HB ASN 51 3.765 -4.075 16.896 427 HD21 ASN 51 2HD2 ASN 51 1.030 -3.096 17.681 428 HD22 ASN 51 1HD2 ASN 51 1.306 -2.155 19.104 429 H GLY 52 H GLY 52 5.485 -1.565 13.725 430 HA2 GLY 52 1HA GLY 52 6.864 -2.580 12.177 431 HA3 GLY 52 2HA GLY 52 6.984 -3.961 13.257 432 H LYS 53 H LYS 53 3.818 -2.927 12.433 433 HA LYS 53 HA LYS 53 3.584 -5.186 10.554 434 HB2 LYS 53 1HB LYS 53 1.529 -4.077 12.475 435 HB3 LYS 53 2HB LYS 53 1.209 -5.333 11.287 436 HG2 LYS 53 1HG LYS 53 3.167 -5.529 13.567 437 HG3 LYS 53 2HG LYS 53 1.563 -6.264 13.510 438 HD2 LYS 53 1HD LYS 53 3.842 -6.858 11.621 439 HD3 LYS 53 2HD LYS 53 3.323 -7.882 12.963 440 HE2 LYS 53 1HE LYS 53 1.070 -8.008 11.877 441 HE3 LYS 53 2HE LYS 53 1.759 -7.172 10.486 442 HZ1 LYS 53 3HZ LYS 53 1.742 -9.868 10.897 443 HZ2 LYS 53 1HZ LYS 53 3.328 -9.423 11.282 444 HZ3 LYS 53 2HZ LYS 53 2.687 -9.041 9.764 445 H THR 54 H THR 54 2.952 -4.734 8.549 446 HA THR 54 HA THR 54 2.249 -2.006 7.866 447 HB THR 54 HB THR 54 2.060 -3.379 5.514 448 HG1 THR 54 HG1 THR 54 2.759 -5.340 6.098 449 HG21 THR 54 3HG2 THR 54 3.386 -1.451 5.612 450 HG22 THR 54 1HG2 THR 54 4.539 -2.739 5.269 451 HG23 THR 54 2HG2 THR 54 4.394 -2.099 6.906 452 H TYR 55 H TYR 55 0.248 -1.281 7.561 453 HA TYR 55 HA TYR 55 -1.895 -3.239 7.058 454 HB2 TYR 55 1HB TYR 55 -1.982 -0.803 8.846 455 HB3 TYR 55 2HB TYR 55 -3.398 -1.742 8.388 456 HD1 TYR 55 HD1 TYR 55 -3.542 -4.152 9.106 457 HD2 TYR 55 HD2 TYR 55 -0.583 -1.495 10.618 458 HE1 TYR 55 HE1 TYR 55 -3.150 -5.674 10.998 459 HE2 TYR 55 HE2 TYR 55 -0.183 -3.010 12.514 460 HH TYR 55 HH TYR 55 -1.096 -4.780 13.681 461 H GLU 56 H GLU 56 -3.567 -2.600 5.692 462 HA GLU 56 HA GLU 56 -3.042 -0.141 4.154 463 HB2 GLU 56 1HB GLU 56 -3.845 -2.889 3.297 464 HB3 GLU 56 2HB GLU 56 -4.404 -1.513 2.357 465 HG2 GLU 56 1HG GLU 56 -1.843 -0.860 2.477 466 HG3 GLU 56 2HG GLU 56 -1.669 -2.601 2.692 467 H ARG 57 H ARG 57 -4.688 1.257 3.808 468 HA ARG 57 HA ARG 57 -7.435 0.487 4.278 469 HB2 ARG 57 1HB ARG 57 -7.857 2.128 6.023 470 HB3 ARG 57 2HB ARG 57 -6.628 0.986 6.552 471 HG2 ARG 57 1HG ARG 57 -4.919 2.554 6.381 472 HG3 ARG 57 2HG ARG 57 -5.867 3.610 5.333 473 HD2 ARG 57 1HD ARG 57 -7.446 3.861 7.335 474 HD3 ARG 57 2HD ARG 57 -6.137 3.163 8.289 475 HE ARG 57 HE ARG 57 -5.136 5.301 6.762 476 HH11 ARG 57 1HH1 ARG 57 -7.217 4.678 9.482 477 HH12 ARG 57 2HH1 ARG 57 -6.901 6.204 10.240 478 HH21 ARG 57 1HH2 ARG 57 -4.712 7.313 7.749 479 HH22 ARG 57 2HH2 ARG 57 -5.477 7.702 9.253 480 H GLN 58 H GLN 58 -8.945 2.016 3.503 481 HA GLN 58 HA GLN 58 -7.753 4.031 1.722 482 HB2 GLN 58 1HB GLN 58 -9.581 3.750 0.251 483 HB3 GLN 58 2HB GLN 58 -9.111 2.125 0.730 484 HG2 GLN 58 1HG GLN 58 -10.940 2.041 2.321 485 HG3 GLN 58 2HG GLN 58 -11.395 3.693 1.906 486 HE21 GLN 58 2HE2 GLN 58 -11.227 3.708 -0.791 487 HE22 GLN 58 1HE2 GLN 58 -12.369 2.605 -1.472 488 H GLY 59 H GLY 59 -8.326 6.134 1.879 489 HA2 GLY 59 1HA GLY 59 -10.557 6.827 3.673 490 HA3 GLY 59 2HA GLY 59 -8.978 7.560 3.916 491 H PHE 60 H PHE 60 -11.011 9.248 3.574 492 HA PHE 60 HA PHE 60 -11.109 9.996 0.750 493 HB2 PHE 60 1HB PHE 60 -12.549 11.349 3.029 494 HB3 PHE 60 2HB PHE 60 -12.929 11.427 1.312 495 HD1 PHE 60 HD1 PHE 60 -13.033 9.312 4.318 496 HD2 PHE 60 HD2 PHE 60 -14.226 9.735 0.254 497 HE1 PHE 60 HE1 PHE 60 -14.606 7.440 4.589 498 HE2 PHE 60 HE2 PHE 60 -15.802 7.865 0.519 499 HZ PHE 60 HZ PHE 60 -15.994 6.715 2.688 500 H VAL 61 H VAL 61 -10.391 11.967 -0.030 501 HA VAL 61 HA VAL 61 -9.140 13.872 1.759 502 HB VAL 61 HB VAL 61 -7.006 13.823 0.354 503 HG11 VAL 61 1HG1 VAL 61 -7.112 11.296 1.885 504 HG12 VAL 61 2HG1 VAL 61 -5.988 12.651 2.004 505 HG13 VAL 61 3HG1 VAL 61 -7.585 12.762 2.743 506 HG21 VAL 61 3HG2 VAL 61 -8.002 11.042 -0.264 507 HG22 VAL 61 1HG2 VAL 61 -7.890 12.367 -1.422 508 HG23 VAL 61 2HG2 VAL 61 -6.427 11.709 -0.691 509 HA PRO 62 HA PRO 62 -10.382 16.749 -1.315 510 HB2 PRO 62 1HB PRO 62 -8.499 18.684 -1.033 511 HB3 PRO 62 2HB PRO 62 -9.777 18.407 0.156 512 HG2 PRO 62 1HG PRO 62 -6.922 17.508 0.199 513 HG3 PRO 62 2HG PRO 62 -7.903 18.180 1.514 514 HD2 PRO 62 1HD PRO 62 -7.435 15.526 1.257 515 HD3 PRO 62 2HD PRO 62 -8.944 16.167 1.935 516 H ALA 63 H ALA 63 -10.180 16.095 -3.382 517 HA ALA 63 HA ALA 63 -7.804 15.280 -4.633 518 HB1 ALA 63 1HB ALA 63 -9.082 14.892 -6.463 519 HB2 ALA 63 2HB ALA 63 -10.386 15.080 -5.289 520 HB3 ALA 63 3HB ALA 63 -9.936 16.430 -6.331 521 H ALA 64 H ALA 64 -9.240 18.427 -4.204 522 HA ALA 64 HA ALA 64 -7.827 19.815 -6.214 523 HB1 ALA 64 1HB ALA 64 -8.940 20.842 -3.606 524 HB2 ALA 64 2HB ALA 64 -8.423 21.838 -4.967 525 HB3 ALA 64 3HB ALA 64 -9.800 20.750 -5.143 526 H TYR 65 H TYR 65 -6.782 18.421 -3.308 527 HA TYR 65 HA TYR 65 -4.446 20.185 -3.128 528 HB2 TYR 65 1HB TYR 65 -5.807 18.329 -1.226 529 HB3 TYR 65 2HB TYR 65 -4.084 18.626 -1.017 530 HD1 TYR 65 HD1 TYR 65 -6.600 21.073 -2.210 531 HD2 TYR 65 HD2 TYR 65 -4.104 19.839 1.008 532 HE1 TYR 65 HE1 TYR 65 -7.110 23.164 -1.020 533 HE2 TYR 65 HE2 TYR 65 -4.608 21.926 2.207 534 HH TYR 65 HH TYR 65 -6.769 23.655 2.064 535 H VAL 66 H VAL 66 -5.358 17.372 -4.604 536 HA VAL 66 HA VAL 66 -2.565 16.470 -4.779 537 HB VAL 66 HB VAL 66 -3.243 14.142 -4.777 538 HG11 VAL 66 1HG1 VAL 66 -3.252 13.966 -2.531 539 HG12 VAL 66 2HG1 VAL 66 -3.052 15.718 -2.590 540 HG13 VAL 66 3HG1 VAL 66 -4.654 15.020 -2.348 541 HG21 VAL 66 3HG2 VAL 66 -5.813 15.213 -5.287 542 HG22 VAL 66 1HG2 VAL 66 -5.323 13.519 -5.236 543 HG23 VAL 66 2HG2 VAL 66 -5.903 14.313 -3.772 544 H LYS 67 H LYS 67 -2.596 14.613 -6.619 545 HA LYS 67 HA LYS 67 -4.332 15.263 -8.834 546 HB2 LYS 67 1HB LYS 67 -1.415 16.004 -8.823 547 HB3 LYS 67 2HB LYS 67 -2.273 15.682 -10.324 548 HG2 LYS 67 1HG LYS 67 -3.967 17.436 -9.399 549 HG3 LYS 67 2HG LYS 67 -2.600 17.933 -8.399 550 HD2 LYS 67 1HD LYS 67 -1.930 19.168 -10.131 551 HD3 LYS 67 2HD LYS 67 -1.520 17.653 -10.939 552 HE2 LYS 67 1HE LYS 67 -4.349 18.502 -11.072 553 HE3 LYS 67 2HE LYS 67 -3.192 19.477 -11.978 554 HZ1 LYS 67 3HZ LYS 67 -4.244 17.537 -13.183 555 HZ2 LYS 67 1HZ LYS 67 -3.285 16.530 -12.219 556 HZ3 LYS 67 2HZ LYS 67 -2.557 17.644 -13.263 557 H LYS 68 H LYS 68 -3.930 13.862 -10.716 558 HA LYS 68 HA LYS 68 -3.083 11.219 -9.825 559 HB2 LYS 68 1HB LYS 68 -5.271 11.879 -11.154 560 HB3 LYS 68 2HB LYS 68 -4.206 11.730 -12.546 561 HG2 LYS 68 1HG LYS 68 -3.899 9.462 -12.236 562 HG3 LYS 68 2HG LYS 68 -4.346 9.531 -10.530 563 HD2 LYS 68 1HD LYS 68 -6.667 9.948 -11.137 564 HD3 LYS 68 2HD LYS 68 -6.234 9.946 -12.849 565 HE2 LYS 68 1HE LYS 68 -5.557 7.577 -11.166 566 HE3 LYS 68 2HE LYS 68 -7.219 7.799 -11.711 567 HZ1 LYS 68 3HZ LYS 68 -5.776 8.219 -13.960 568 HZ2 LYS 68 1HZ LYS 68 -6.538 6.765 -13.548 569 HZ3 LYS 68 2HZ LYS 68 -4.898 6.989 -13.199 570 H LEU 69 H LEU 69 -1.427 10.058 -10.706 571 HA LEU 69 HA LEU 69 0.612 11.545 -12.083 572 HB2 LEU 69 1HB LEU 69 0.368 8.868 -10.837 573 HB3 LEU 69 2HB LEU 69 1.586 9.058 -12.097 574 HG LEU 69 HG LEU 69 2.523 9.336 -9.850 575 HD11 LEU 69 1HD1 LEU 69 2.983 12.027 -10.504 576 HD12 LEU 69 2HD1 LEU 69 2.734 11.180 -12.030 577 HD13 LEU 69 3HD1 LEU 69 3.978 10.629 -10.909 578 HD21 LEU 69 3HD2 LEU 69 1.641 10.642 -8.261 579 HD22 LEU 69 1HD2 LEU 69 0.183 10.615 -9.253 580 HD23 LEU 69 2HD2 LEU 69 1.317 11.959 -9.389 581 H ASP 70 H ASP 70 -1.621 8.930 -12.874 582 HA ASP 70 HA ASP 70 -0.602 8.249 -15.387 583 HB2 ASP 70 1HB ASP 70 -3.469 8.184 -14.419 584 HB3 ASP 70 2HB ASP 70 -2.865 7.361 -15.854 Start of MODEL 11 1 H1 MET 1 H MET 1 10.761 -1.846 -7.487 2 HA MET 1 HA MET 1 8.699 -0.294 -6.065 3 HB2 MET 1 1HB MET 1 9.590 1.699 -7.285 4 HB3 MET 1 2HB MET 1 10.713 1.007 -6.121 5 HG2 MET 1 1HG MET 1 12.003 0.000 -7.844 6 HG3 MET 1 2HG MET 1 10.791 0.394 -9.061 7 HE1 MET 1 3HE MET 1 12.722 1.707 -10.699 8 HE2 MET 1 1HE MET 1 14.025 2.548 -9.858 9 HE3 MET 1 2HE MET 1 13.697 0.852 -9.502 10 H ASP 2 H ASP 2 7.739 -2.281 -7.536 11 HA ASP 2 HA ASP 2 6.804 -0.970 -10.004 12 HB2 ASP 2 1HB ASP 2 8.330 -3.053 -10.232 13 HB3 ASP 2 2HB ASP 2 6.916 -3.959 -9.699 14 H GLU 3 H GLU 3 5.256 -0.184 -8.220 15 HA GLU 3 HA GLU 3 2.903 -1.920 -8.311 16 HB2 GLU 3 1HB GLU 3 2.388 -1.401 -5.939 17 HB3 GLU 3 2HB GLU 3 3.841 -2.371 -6.133 18 HG2 GLU 3 1HG GLU 3 4.306 0.520 -6.073 19 HG3 GLU 3 2HG GLU 3 3.646 -0.155 -4.585 20 H THR 4 H THR 4 2.930 -0.030 -10.043 21 HA THR 4 HA THR 4 1.208 2.069 -8.926 22 HB THR 4 HB THR 4 3.420 3.082 -9.210 23 HG1 THR 4 HG1 THR 4 2.468 4.827 -9.951 24 HG21 THR 4 3HG2 THR 4 4.681 2.985 -11.118 25 HG22 THR 4 1HG2 THR 4 3.278 2.801 -12.169 26 HG23 THR 4 2HG2 THR 4 3.866 1.426 -11.234 27 H GLY 5 H GLY 5 0.926 -0.467 -10.591 28 HA2 GLY 5 1HA GLY 5 0.037 0.486 -13.170 29 HA3 GLY 5 2HA GLY 5 -0.085 -1.159 -12.563 30 H LYS 6 H LYS 6 -1.325 0.434 -10.101 31 HA LYS 6 HA LYS 6 -4.051 -0.024 -10.974 32 HB2 LYS 6 1HB LYS 6 -2.880 0.765 -8.303 33 HB3 LYS 6 2HB LYS 6 -4.599 0.523 -8.585 34 HG2 LYS 6 1HG LYS 6 -2.436 -1.552 -8.877 35 HG3 LYS 6 2HG LYS 6 -3.619 -1.441 -7.571 36 HD2 LYS 6 1HD LYS 6 -5.226 -1.449 -9.773 37 HD3 LYS 6 2HD LYS 6 -3.903 -2.494 -10.295 38 HE2 LYS 6 1HE LYS 6 -4.241 -3.599 -7.953 39 HE3 LYS 6 2HE LYS 6 -5.835 -2.852 -8.044 40 HZ1 LYS 6 3HZ LYS 6 -6.257 -4.020 -10.091 41 HZ2 LYS 6 1HZ LYS 6 -5.812 -5.133 -8.897 42 HZ3 LYS 6 2HZ LYS 6 -4.701 -4.682 -10.089 43 H GLU 7 H GLU 7 -2.842 2.610 -8.927 44 HA GLU 7 HA GLU 7 -3.247 4.730 -10.680 45 HB2 GLU 7 1HB GLU 7 -5.701 3.628 -9.609 46 HB3 GLU 7 2HB GLU 7 -5.493 5.300 -9.109 47 HG2 GLU 7 1HG GLU 7 -5.958 6.075 -11.138 48 HG3 GLU 7 2HG GLU 7 -4.900 4.903 -11.921 49 H LEU 8 H LEU 8 -1.411 5.425 -9.573 50 HA LEU 8 HA LEU 8 -1.640 6.015 -6.728 51 HB2 LEU 8 1HB LEU 8 0.567 5.793 -8.686 52 HB3 LEU 8 2HB LEU 8 0.796 6.931 -7.359 53 HG LEU 8 HG LEU 8 1.806 4.756 -6.882 54 HD11 LEU 8 1HD1 LEU 8 0.318 6.276 -5.200 55 HD12 LEU 8 2HD1 LEU 8 1.288 4.889 -4.705 56 HD13 LEU 8 3HD1 LEU 8 -0.440 4.697 -4.997 57 HD21 LEU 8 3HD2 LEU 8 -0.120 3.589 -8.238 58 HD22 LEU 8 1HD2 LEU 8 -0.883 3.498 -6.651 59 HD23 LEU 8 2HD2 LEU 8 0.694 2.754 -6.915 60 H VAL 9 H VAL 9 -1.616 8.050 -5.851 61 HA VAL 9 HA VAL 9 -1.712 10.312 -7.737 62 HB VAL 9 HB VAL 9 -3.393 11.380 -6.241 63 HG11 VAL 9 1HG1 VAL 9 -5.029 10.581 -7.543 64 HG12 VAL 9 2HG1 VAL 9 -3.772 9.573 -8.263 65 HG13 VAL 9 3HG1 VAL 9 -4.796 8.926 -6.980 66 HG21 VAL 9 3HG2 VAL 9 -3.026 10.216 -4.188 67 HG22 VAL 9 1HG2 VAL 9 -4.667 9.851 -4.722 68 HG23 VAL 9 2HG2 VAL 9 -3.383 8.661 -4.940 69 H LEU 10 H LEU 10 -0.737 12.198 -7.094 70 HA LEU 10 HA LEU 10 0.849 12.030 -4.622 71 HB2 LEU 10 1HB LEU 10 2.226 12.173 -6.579 72 HB3 LEU 10 2HB LEU 10 1.310 13.555 -7.178 73 HG LEU 10 HG LEU 10 2.155 14.732 -5.026 74 HD11 LEU 10 1HD1 LEU 10 4.449 13.889 -4.416 75 HD12 LEU 10 2HD1 LEU 10 4.032 12.392 -5.248 76 HD13 LEU 10 3HD1 LEU 10 3.097 12.910 -3.846 77 HD21 LEU 10 3HD2 LEU 10 2.820 15.053 -7.498 78 HD22 LEU 10 1HD2 LEU 10 4.279 14.164 -7.060 79 HD23 LEU 10 2HD2 LEU 10 3.892 15.680 -6.244 80 H ALA 11 H ALA 11 0.885 13.725 -3.177 81 HA ALA 11 HA ALA 11 -1.380 15.549 -3.350 82 HB1 ALA 11 1HB ALA 11 -1.149 14.373 -1.275 83 HB2 ALA 11 2HB ALA 11 0.520 14.915 -1.098 84 HB3 ALA 11 3HB ALA 11 -0.800 16.078 -0.988 85 H LEU 12 H LEU 12 -1.181 17.575 -4.020 86 HA LEU 12 HA LEU 12 1.454 18.710 -4.440 87 HB2 LEU 12 1HB LEU 12 -1.283 19.813 -5.055 88 HB3 LEU 12 2HB LEU 12 0.247 20.530 -5.555 89 HG LEU 12 HG LEU 12 -0.945 17.928 -6.500 90 HD11 LEU 12 1HD1 LEU 12 -0.447 19.336 -8.709 91 HD12 LEU 12 2HD1 LEU 12 -0.715 20.670 -7.586 92 HD13 LEU 12 3HD1 LEU 12 -1.969 19.453 -7.824 93 HD21 LEU 12 3HD2 LEU 12 1.063 17.892 -8.015 94 HD22 LEU 12 1HD2 LEU 12 1.388 17.535 -6.319 95 HD23 LEU 12 2HD2 LEU 12 1.776 19.125 -6.975 96 H TYR 13 H TYR 13 -1.308 19.154 -2.340 97 HA TYR 13 HA TYR 13 0.169 21.278 -0.927 98 HB2 TYR 13 1HB TYR 13 -2.822 20.902 -1.166 99 HB3 TYR 13 2HB TYR 13 -2.040 22.113 -0.156 100 HD1 TYR 13 HD2 TYR 13 -2.599 21.045 -3.652 101 HD2 TYR 13 HD1 TYR 13 -1.247 24.151 -1.078 102 HE1 TYR 13 HE2 TYR 13 -2.559 22.598 -5.558 103 HE2 TYR 13 HE1 TYR 13 -1.204 25.714 -2.977 104 HH TYR 13 HH TYR 13 -0.959 25.196 -5.781 105 H ASP 14 H ASP 14 -0.569 21.445 1.432 106 HA ASP 14 HA ASP 14 -0.280 18.804 2.607 107 HB2 ASP 14 1HB ASP 14 0.434 19.869 4.548 108 HB3 ASP 14 2HB ASP 14 0.981 20.978 3.293 109 H TYR 15 H TYR 15 -1.774 17.760 3.825 110 HA TYR 15 HA TYR 15 -4.311 19.124 4.388 111 HB2 TYR 15 1HB TYR 15 -4.428 17.721 2.270 112 HB3 TYR 15 2HB TYR 15 -4.203 16.311 3.299 113 HD1 TYR 15 HD1 TYR 15 -6.442 19.217 2.710 114 HD2 TYR 15 HD2 TYR 15 -6.029 15.336 4.403 115 HE1 TYR 15 HE1 TYR 15 -8.864 19.152 3.136 116 HE2 TYR 15 HE2 TYR 15 -8.449 15.259 4.834 117 HH TYR 15 HH TYR 15 -10.404 17.900 4.813 118 H GLN 16 H GLN 16 -5.637 17.986 5.999 119 HA GLN 16 HA GLN 16 -4.091 16.202 7.745 120 HB2 GLN 16 1HB GLN 16 -4.761 17.427 9.717 121 HB3 GLN 16 2HB GLN 16 -3.947 18.523 8.608 122 HG2 GLN 16 1HG GLN 16 -6.936 18.281 8.751 123 HG3 GLN 16 2HG GLN 16 -6.015 19.402 9.752 124 HE21 GLN 16 2HE2 GLN 16 -7.497 18.890 6.770 125 HE22 GLN 16 1HE2 GLN 16 -6.928 20.306 5.961 126 H GLU 17 H GLU 17 -5.316 14.776 9.017 127 HA GLU 17 HA GLU 17 -8.070 14.417 8.057 128 HB2 GLU 17 1HB GLU 17 -7.849 12.086 8.731 129 HB3 GLU 17 2HB GLU 17 -6.539 12.539 7.649 130 HG2 GLU 17 1HG GLU 17 -5.247 11.532 9.167 131 HG3 GLU 17 2HG GLU 17 -5.406 13.050 10.049 132 H LYS 18 H LYS 18 -9.717 14.759 9.389 133 HA LYS 18 HA LYS 18 -9.169 15.303 12.201 134 HB2 LYS 18 1HB LYS 18 -10.495 16.966 11.101 135 HB3 LYS 18 2HB LYS 18 -11.594 15.752 10.461 136 HG2 LYS 18 1HG LYS 18 -12.654 16.904 12.277 137 HG3 LYS 18 2HG LYS 18 -12.317 15.242 12.766 138 HD2 LYS 18 1HD LYS 18 -10.072 16.380 13.639 139 HD3 LYS 18 2HD LYS 18 -11.132 17.789 13.724 140 HE2 LYS 18 1HE LYS 18 -12.172 15.246 14.832 141 HE3 LYS 18 2HE LYS 18 -10.876 16.037 15.727 142 HZ1 LYS 18 3HZ LYS 18 -12.827 16.914 16.611 143 HZ2 LYS 18 1HZ LYS 18 -13.571 17.074 15.099 144 HZ3 LYS 18 2HZ LYS 18 -12.309 18.113 15.536 145 H SER 19 H SER 19 -11.113 13.146 10.188 146 HA SER 19 HA SER 19 -11.934 11.661 12.580 147 HB2 SER 19 1HB SER 19 -12.998 10.703 10.034 148 HB3 SER 19 2HB SER 19 -13.852 11.184 11.500 149 HG SER 19 HG SER 19 -14.395 12.870 10.376 150 HA PRO 20 HA PRO 20 -9.301 8.235 11.826 151 HB2 PRO 20 1HB PRO 20 -10.904 6.121 12.401 152 HB3 PRO 20 2HB PRO 20 -10.269 7.210 13.640 153 HG2 PRO 20 1HG PRO 20 -12.969 7.180 12.347 154 HG3 PRO 20 2HG PRO 20 -12.549 7.409 14.055 155 HD2 PRO 20 1HD PRO 20 -13.163 9.475 12.416 156 HD3 PRO 20 2HD PRO 20 -12.005 9.628 13.754 157 H ARG 21 H ARG 21 -12.048 8.745 9.910 158 HA ARG 21 HA ARG 21 -11.657 6.430 8.208 159 HB2 ARG 21 1HB ARG 21 -13.714 8.459 8.586 160 HB3 ARG 21 2HB ARG 21 -13.376 8.162 6.886 161 HG2 ARG 21 1HG ARG 21 -13.767 5.764 7.244 162 HG3 ARG 21 2HG ARG 21 -14.156 6.097 8.933 163 HD2 ARG 21 1HD ARG 21 -16.060 7.403 8.304 164 HD3 ARG 21 2HD ARG 21 -15.612 7.328 6.601 165 HE ARG 21 HE ARG 21 -15.918 4.717 7.375 166 HH11 ARG 21 1HH1 ARG 21 -17.916 7.568 7.370 167 HH12 ARG 21 2HH1 ARG 21 -19.396 6.689 7.174 168 HH21 ARG 21 1HH2 ARG 21 -17.859 3.548 7.117 169 HH22 ARG 21 2HH2 ARG 21 -19.363 4.402 7.031 170 H GLU 22 H GLU 22 -10.569 9.676 8.412 171 HA GLU 22 HA GLU 22 -9.713 9.692 5.609 172 HB2 GLU 22 1HB GLU 22 -9.870 11.839 7.717 173 HB3 GLU 22 2HB GLU 22 -9.010 12.079 6.202 174 HG2 GLU 22 1HG GLU 22 -11.143 13.009 5.893 175 HG3 GLU 22 2HG GLU 22 -11.154 11.474 5.026 176 H VAL 23 H VAL 23 -7.485 10.629 5.218 177 HA VAL 23 HA VAL 23 -5.577 9.639 7.233 178 HB VAL 23 HB VAL 23 -4.095 8.896 5.422 179 HG11 VAL 23 1HG1 VAL 23 -5.708 7.050 4.531 180 HG12 VAL 23 2HG1 VAL 23 -5.301 7.111 6.247 181 HG13 VAL 23 3HG1 VAL 23 -6.843 7.755 5.681 182 HG21 VAL 23 3HG2 VAL 23 -5.692 8.655 3.193 183 HG22 VAL 23 1HG2 VAL 23 -6.078 10.269 3.790 184 HG23 VAL 23 2HG2 VAL 23 -4.407 9.841 3.420 185 H THR 24 H THR 24 -3.584 10.724 7.366 186 HA THR 24 HA THR 24 -3.728 13.512 6.577 187 HB THR 24 HB THR 24 -1.669 12.046 8.238 188 HG1 THR 24 HG1 THR 24 -2.776 12.867 9.963 189 HG21 THR 24 3HG2 THR 24 -1.679 14.703 7.074 190 HG22 THR 24 1HG2 THR 24 -0.382 13.843 7.902 191 HG23 THR 24 2HG2 THR 24 -1.569 14.757 8.833 192 H MET 25 H MET 25 -2.806 14.307 4.811 193 HA MET 25 HA MET 25 -0.472 12.910 3.685 194 HB2 MET 25 1HB MET 25 -1.316 13.466 1.422 195 HB3 MET 25 2HB MET 25 -2.372 12.362 2.293 196 HG2 MET 25 1HG MET 25 -3.926 14.114 2.766 197 HG3 MET 25 2HG MET 25 -2.825 15.328 2.118 198 HE1 MET 25 3HE MET 25 -5.477 15.606 -0.581 199 HE2 MET 25 1HE MET 25 -5.152 15.998 1.108 200 HE3 MET 25 2HE MET 25 -3.977 16.423 -0.137 201 H LYS 26 H LYS 26 1.075 14.207 2.655 202 HA LYS 26 HA LYS 26 0.731 17.112 2.937 203 HB2 LYS 26 1HB LYS 26 3.217 15.575 3.716 204 HB3 LYS 26 2HB LYS 26 3.020 17.322 3.778 205 HG2 LYS 26 1HG LYS 26 1.177 15.540 5.315 206 HG3 LYS 26 2HG LYS 26 2.777 15.941 5.945 207 HD2 LYS 26 1HD LYS 26 2.236 18.331 5.755 208 HD3 LYS 26 2HD LYS 26 0.628 17.911 5.159 209 HE2 LYS 26 1HE LYS 26 0.319 18.350 7.439 210 HE3 LYS 26 2HE LYS 26 0.360 16.591 7.327 211 HZ1 LYS 26 3HZ LYS 26 2.726 18.240 8.020 212 HZ2 LYS 26 1HZ LYS 26 2.577 16.558 8.129 213 HZ3 LYS 26 2HZ LYS 26 1.697 17.554 9.174 214 H LYS 27 H LYS 27 2.450 18.327 1.709 215 HA LYS 27 HA LYS 27 2.383 17.728 -0.980 216 HB2 LYS 27 1HB LYS 27 4.414 19.346 0.564 217 HB3 LYS 27 2HB LYS 27 4.320 19.316 -1.192 218 HG2 LYS 27 1HG LYS 27 3.062 21.153 -0.845 219 HG3 LYS 27 2HG LYS 27 1.784 19.951 -0.646 220 HD2 LYS 27 1HD LYS 27 1.765 20.165 1.659 221 HD3 LYS 27 2HD LYS 27 3.410 20.804 1.715 222 HE2 LYS 27 1HE LYS 27 1.002 22.255 0.618 223 HE3 LYS 27 2HE LYS 27 1.717 22.521 2.208 224 HZ1 LYS 27 3HZ LYS 27 2.586 24.183 0.821 225 HZ2 LYS 27 1HZ LYS 27 2.902 23.102 -0.442 226 HZ3 LYS 27 2HZ LYS 27 3.832 23.048 0.969 227 H GLY 28 H GLY 28 3.304 16.204 -2.178 228 HA2 GLY 28 1HA GLY 28 5.248 15.091 -3.017 229 HA3 GLY 28 2HA GLY 28 5.970 15.222 -1.420 230 H ASP 29 H ASP 29 3.293 14.350 -0.271 231 HA ASP 29 HA ASP 29 3.921 11.600 -0.032 232 HB2 ASP 29 1HB ASP 29 1.486 13.199 0.763 233 HB3 ASP 29 2HB ASP 29 1.666 11.484 1.122 234 H ILE 30 H ILE 30 2.961 9.788 -0.896 235 HA ILE 30 HA ILE 30 1.054 10.243 -3.095 236 HB ILE 30 HB ILE 30 3.258 8.179 -3.089 237 HG12 ILE 30 1HG1 ILE 30 3.047 10.715 -4.724 238 HG13 ILE 30 2HG1 ILE 30 4.077 10.529 -3.309 239 HG21 ILE 30 1HG2 ILE 30 2.164 8.746 -5.662 240 HG22 ILE 30 2HG2 ILE 30 2.181 7.223 -4.775 241 HG23 ILE 30 3HG2 ILE 30 0.851 8.359 -4.550 242 HD11 ILE 30 3HD1 ILE 30 5.668 9.876 -4.703 243 HD12 ILE 30 1HD1 ILE 30 4.751 8.386 -4.923 244 HD13 ILE 30 2HD1 ILE 30 4.530 9.730 -6.043 245 H LEU 31 H LEU 31 -0.727 9.011 -3.083 246 HA LEU 31 HA LEU 31 -0.793 6.695 -1.262 247 HB2 LEU 31 1HB LEU 31 -3.168 8.426 -1.883 248 HB3 LEU 31 2HB LEU 31 -2.998 7.221 -0.608 249 HG LEU 31 HG LEU 31 -1.785 9.973 -0.728 250 HD11 LEU 31 1HD1 LEU 31 -2.944 9.783 1.665 251 HD12 LEU 31 2HD1 LEU 31 -3.961 8.650 0.776 252 HD13 LEU 31 3HD1 LEU 31 -3.810 10.318 0.225 253 HD21 LEU 31 3HD2 LEU 31 -0.842 7.572 0.641 254 HD22 LEU 31 1HD2 LEU 31 -1.115 8.942 1.718 255 HD23 LEU 31 2HD2 LEU 31 -0.023 9.107 0.343 256 H THR 32 H THR 32 -2.707 5.219 -1.799 257 HA THR 32 HA THR 32 -2.639 4.717 -4.684 258 HB THR 32 HB THR 32 -3.582 2.885 -2.471 259 HG1 THR 32 HG1 THR 32 -1.178 2.592 -3.932 260 HG21 THR 32 3HG2 THR 32 -4.078 2.748 -5.188 261 HG22 THR 32 1HG2 THR 32 -4.166 1.407 -4.047 262 HG23 THR 32 2HG2 THR 32 -2.688 1.687 -4.966 263 H LEU 33 H LEU 33 -4.251 5.723 -5.721 264 HA LEU 33 HA LEU 33 -6.697 6.509 -4.645 265 HB2 LEU 33 1HB LEU 33 -5.448 6.986 -6.954 266 HB3 LEU 33 2HB LEU 33 -6.605 5.781 -7.516 267 HG LEU 33 HG LEU 33 -7.466 7.998 -7.920 268 HD11 LEU 33 1HD1 LEU 33 -8.847 6.531 -5.684 269 HD12 LEU 33 2HD1 LEU 33 -9.134 6.377 -7.416 270 HD13 LEU 33 3HD1 LEU 33 -9.573 7.866 -6.580 271 HD21 LEU 33 3HD2 LEU 33 -6.189 8.658 -5.543 272 HD22 LEU 33 1HD2 LEU 33 -7.909 8.815 -5.183 273 HD23 LEU 33 2HD2 LEU 33 -7.205 9.713 -6.527 274 H LEU 34 H LEU 34 -8.242 5.266 -3.833 275 HA LEU 34 HA LEU 34 -8.637 2.571 -4.914 276 HB2 LEU 34 1HB LEU 34 -8.498 3.484 -2.335 277 HB3 LEU 34 2HB LEU 34 -10.237 3.365 -2.597 278 HG LEU 34 HG LEU 34 -9.997 1.001 -3.162 279 HD11 LEU 34 1HD1 LEU 34 -7.713 -0.022 -2.562 280 HD12 LEU 34 2HD1 LEU 34 -7.085 1.606 -2.814 281 HD13 LEU 34 3HD1 LEU 34 -7.899 0.762 -4.131 282 HD21 LEU 34 3HD2 LEU 34 -10.483 1.362 -0.899 283 HD22 LEU 34 1HD2 LEU 34 -8.859 1.955 -0.553 284 HD23 LEU 34 2HD2 LEU 34 -9.120 0.243 -0.886 285 H ASN 35 H ASN 35 -10.257 5.641 -4.437 286 HA ASN 35 HA ASN 35 -12.296 4.851 -6.345 287 HB2 ASN 35 1HB ASN 35 -12.924 4.482 -3.737 288 HB3 ASN 35 2HB ASN 35 -13.423 6.159 -3.942 289 HD21 ASN 35 2HD2 ASN 35 -14.889 6.616 -5.738 290 HD22 ASN 35 1HD2 ASN 35 -16.060 5.423 -6.174 291 H SER 36 H SER 36 -12.334 6.437 -7.781 292 HA SER 36 HA SER 36 -12.009 9.208 -6.829 293 HB2 SER 36 1HB SER 36 -11.209 9.413 -9.396 294 HB3 SER 36 2HB SER 36 -10.098 9.083 -8.067 295 HG SER 36 HG SER 36 -10.561 7.582 -10.174 296 H THR 37 H THR 37 -14.424 7.512 -7.346 297 HA THR 37 HA THR 37 -15.750 8.148 -9.684 298 HB THR 37 HB THR 37 -16.637 6.567 -8.021 299 HG1 THR 37 HG1 THR 37 -18.711 7.024 -8.526 300 HG21 THR 37 3HG2 THR 37 -16.086 8.141 -6.069 301 HG22 THR 37 1HG2 THR 37 -17.585 7.217 -5.976 302 HG23 THR 37 2HG2 THR 37 -17.626 8.920 -6.435 303 H ASN 38 H ASN 38 -15.247 10.106 -6.819 304 HA ASN 38 HA ASN 38 -16.969 12.221 -7.850 305 HB2 ASN 38 1HB ASN 38 -16.534 11.388 -5.313 306 HB3 ASN 38 2HB ASN 38 -15.358 12.695 -5.412 307 HD21 ASN 38 2HD2 ASN 38 -17.429 12.855 -3.663 308 HD22 ASN 38 1HD2 ASN 38 -18.545 14.070 -4.177 309 H LYS 39 H LYS 39 -16.009 14.518 -7.538 310 HA LYS 39 HA LYS 39 -13.355 14.544 -8.816 311 HB2 LYS 39 1HB LYS 39 -15.689 16.441 -9.060 312 HB3 LYS 39 2HB LYS 39 -14.081 16.822 -9.662 313 HG2 LYS 39 1HG LYS 39 -14.191 14.815 -11.103 314 HG3 LYS 39 2HG LYS 39 -15.849 14.555 -10.557 315 HD2 LYS 39 1HD LYS 39 -15.066 17.200 -11.707 316 HD3 LYS 39 2HD LYS 39 -15.388 15.839 -12.784 317 HE2 LYS 39 1HE LYS 39 -17.613 15.732 -12.199 318 HE3 LYS 39 2HE LYS 39 -17.345 16.485 -10.628 319 HZ1 LYS 39 3HZ LYS 39 -16.707 18.520 -12.110 320 HZ2 LYS 39 1HZ LYS 39 -18.328 18.185 -11.763 321 HZ3 LYS 39 2HZ LYS 39 -17.674 17.740 -13.258 322 H ASP 40 H ASP 40 -15.296 15.775 -6.211 323 HA ASP 40 HA ASP 40 -13.250 17.680 -5.394 324 HB2 ASP 40 1HB ASP 40 -15.863 16.984 -4.037 325 HB3 ASP 40 2HB ASP 40 -14.822 18.357 -3.668 326 H TRP 41 H TRP 41 -14.909 14.850 -4.005 327 HA TRP 41 HA TRP 41 -12.713 14.579 -2.076 328 HB2 TRP 41 1HB TRP 41 -15.511 13.445 -2.127 329 HB3 TRP 41 2HB TRP 41 -14.289 12.929 -0.968 330 HD1 TRP 41 HD1 TRP 41 -16.939 15.468 -1.441 331 HE1 TRP 41 HE1 TRP 41 -16.821 17.248 0.413 332 HE3 TRP 41 HE3 TRP 41 -12.355 14.311 0.504 333 HZ2 TRP 41 HZ2 TRP 41 -15.022 18.056 2.433 334 HZ3 TRP 41 HZ3 TRP 41 -11.508 15.636 2.396 335 HH2 TRP 41 HH2 TRP 41 -12.816 17.470 3.339 336 H TRP 42 H TRP 42 -11.163 13.174 -2.526 337 HA TRP 42 HA TRP 42 -11.785 10.906 -4.297 338 HB2 TRP 42 1HB TRP 42 -9.361 12.609 -3.944 339 HB3 TRP 42 2HB TRP 42 -9.131 10.925 -4.404 340 HD1 TRP 42 HD1 TRP 42 -12.267 12.253 -5.872 341 HE1 TRP 42 HE1 TRP 42 -11.923 12.811 -8.361 342 HE3 TRP 42 HE3 TRP 42 -7.166 11.968 -6.070 343 HZ2 TRP 42 HZ2 TRP 42 -9.773 13.093 -10.169 344 HZ3 TRP 42 HZ3 TRP 42 -6.044 12.395 -8.217 345 HH2 TRP 42 HH2 TRP 42 -7.322 12.946 -10.223 346 H LYS 43 H LYS 43 -11.566 8.882 -3.564 347 HA LYS 43 HA LYS 43 -10.686 8.518 -0.802 348 HB2 LYS 43 1HB LYS 43 -11.891 6.394 -2.561 349 HB3 LYS 43 2HB LYS 43 -11.877 6.481 -0.805 350 HG2 LYS 43 1HG LYS 43 -13.370 8.469 -0.961 351 HG3 LYS 43 2HG LYS 43 -13.480 8.182 -2.699 352 HD2 LYS 43 1HD LYS 43 -14.283 5.855 -2.143 353 HD3 LYS 43 2HD LYS 43 -14.406 6.386 -0.465 354 HE2 LYS 43 1HE LYS 43 -16.564 6.636 -1.399 355 HE3 LYS 43 2HE LYS 43 -15.881 8.258 -1.296 356 HZ1 LYS 43 3HZ LYS 43 -16.261 8.481 -3.451 357 HZ2 LYS 43 1HZ LYS 43 -16.819 6.888 -3.569 358 HZ3 LYS 43 2HZ LYS 43 -15.175 7.226 -3.778 359 H VAL 44 H VAL 44 -8.647 7.970 -0.439 360 HA VAL 44 HA VAL 44 -7.277 6.257 -2.410 361 HB VAL 44 HB VAL 44 -5.160 7.324 -1.304 362 HG11 VAL 44 1HG1 VAL 44 -5.426 9.295 -2.961 363 HG12 VAL 44 2HG1 VAL 44 -5.422 7.645 -3.587 364 HG13 VAL 44 3HG1 VAL 44 -6.946 8.513 -3.392 365 HG21 VAL 44 3HG2 VAL 44 -7.241 9.450 -0.799 366 HG22 VAL 44 1HG2 VAL 44 -6.354 8.550 0.431 367 HG23 VAL 44 2HG2 VAL 44 -5.497 9.659 -0.639 368 H GLU 45 H GLU 45 -5.231 5.241 -1.282 369 HA GLU 45 HA GLU 45 -6.048 4.199 1.349 370 HB2 GLU 45 1HB GLU 45 -6.468 2.569 -0.501 371 HB3 GLU 45 2HB GLU 45 -4.743 2.581 -0.844 372 HG2 GLU 45 1HG GLU 45 -5.804 1.871 1.867 373 HG3 GLU 45 2HG GLU 45 -5.665 0.678 0.577 374 H VAL 46 H VAL 46 -4.482 4.026 2.869 375 HA VAL 46 HA VAL 46 -1.727 4.682 2.048 376 HB VAL 46 HB VAL 46 -1.400 5.916 4.096 377 HG11 VAL 46 1HG1 VAL 46 -2.424 7.035 2.095 378 HG12 VAL 46 2HG1 VAL 46 -3.992 6.862 2.887 379 HG13 VAL 46 3HG1 VAL 46 -2.727 7.837 3.636 380 HG21 VAL 46 3HG2 VAL 46 -2.848 4.605 5.556 381 HG22 VAL 46 1HG2 VAL 46 -3.231 6.322 5.671 382 HG23 VAL 46 2HG2 VAL 46 -4.272 5.248 4.739 383 H LYS 47 H LYS 47 -0.042 3.689 3.186 384 HA LYS 47 HA LYS 47 -0.844 1.250 4.614 385 HB2 LYS 47 1HB LYS 47 0.705 1.354 2.467 386 HB3 LYS 47 2HB LYS 47 1.950 1.695 3.661 387 HG2 LYS 47 1HG LYS 47 2.113 -0.574 3.535 388 HG3 LYS 47 2HG LYS 47 0.942 -0.420 4.847 389 HD2 LYS 47 1HD LYS 47 -0.812 -1.126 3.545 390 HD3 LYS 47 2HD LYS 47 -0.062 -0.574 2.046 391 HE2 LYS 47 1HE LYS 47 1.692 -2.437 2.591 392 HE3 LYS 47 2HE LYS 47 0.393 -3.091 3.588 393 HZ1 LYS 47 3HZ LYS 47 -0.653 -3.840 1.796 394 HZ2 LYS 47 1HZ LYS 47 0.729 -3.465 0.895 395 HZ3 LYS 47 2HZ LYS 47 -0.539 -2.352 0.999 396 H ILE 48 H ILE 48 -0.238 0.883 6.674 397 HA ILE 48 HA ILE 48 1.608 2.809 7.924 398 HB ILE 48 HB ILE 48 -0.879 1.649 9.188 399 HG12 ILE 48 1HG1 ILE 48 -1.235 4.314 9.283 400 HG13 ILE 48 2HG1 ILE 48 -0.281 4.209 7.807 401 HG21 ILE 48 1HG2 ILE 48 0.606 1.897 10.949 402 HG22 ILE 48 2HG2 ILE 48 1.364 3.323 10.242 403 HG23 ILE 48 3HG2 ILE 48 -0.248 3.439 10.946 404 HD11 ILE 48 3HD1 ILE 48 -2.802 4.165 7.568 405 HD12 ILE 48 1HD1 ILE 48 -1.898 2.904 6.730 406 HD13 ILE 48 2HD1 ILE 48 -2.730 2.537 8.242 407 H THR 49 H THR 49 3.286 1.913 8.919 408 HA THR 49 HA THR 49 3.344 -0.982 9.262 409 HB THR 49 HB THR 49 5.569 1.037 9.613 410 HG1 THR 49 HG1 THR 49 6.218 0.295 7.553 411 HG21 THR 49 3HG2 THR 49 5.449 -1.951 9.764 412 HG22 THR 49 1HG2 THR 49 6.265 -0.812 10.833 413 HG23 THR 49 2HG2 THR 49 6.926 -1.148 9.233 414 H VAL 50 H VAL 50 2.654 -1.780 11.132 415 HA VAL 50 HA VAL 50 3.421 -0.391 13.614 416 HB VAL 50 HB VAL 50 0.792 -1.801 13.131 417 HG11 VAL 50 1HG1 VAL 50 0.202 -0.883 15.357 418 HG12 VAL 50 2HG1 VAL 50 1.505 -2.071 15.415 419 HG13 VAL 50 3HG1 VAL 50 1.872 -0.350 15.543 420 HG21 VAL 50 3HG2 VAL 50 0.133 0.737 13.765 421 HG22 VAL 50 1HG2 VAL 50 1.640 1.010 12.889 422 HG23 VAL 50 2HG2 VAL 50 0.309 0.154 12.110 423 H ASN 51 H ASN 51 4.633 -1.616 14.887 424 HA ASN 51 HA ASN 51 5.679 -3.420 15.798 425 HB2 ASN 51 1HB ASN 51 2.921 -4.578 15.369 426 HB3 ASN 51 2HB ASN 51 4.195 -5.413 16.253 427 HD21 ASN 51 2HD2 ASN 51 3.783 -5.311 18.333 428 HD22 ASN 51 1HD2 ASN 51 3.249 -3.915 19.199 429 H GLY 52 H GLY 52 5.826 -3.033 12.899 430 HA2 GLY 52 1HA GLY 52 7.010 -4.140 11.243 431 HA3 GLY 52 2HA GLY 52 7.001 -5.583 12.246 432 H LYS 53 H LYS 53 3.969 -4.073 11.688 433 HA LYS 53 HA LYS 53 3.339 -6.054 9.602 434 HB2 LYS 53 1HB LYS 53 1.560 -5.215 11.899 435 HB3 LYS 53 2HB LYS 53 1.107 -6.316 10.605 436 HG2 LYS 53 1HG LYS 53 3.424 -6.852 12.437 437 HG3 LYS 53 2HG LYS 53 1.775 -7.358 12.810 438 HD2 LYS 53 1HD LYS 53 1.692 -8.821 10.978 439 HD3 LYS 53 2HD LYS 53 3.089 -8.069 10.204 440 HE2 LYS 53 1HE LYS 53 4.590 -9.048 11.716 441 HE3 LYS 53 2HE LYS 53 3.312 -9.441 12.864 442 HZ1 LYS 53 3HZ LYS 53 3.338 -11.452 11.949 443 HZ2 LYS 53 1HZ LYS 53 4.276 -10.949 10.634 444 HZ3 LYS 53 2HZ LYS 53 2.596 -10.765 10.593 445 H THR 54 H THR 54 2.852 -5.044 7.778 446 HA THR 54 HA THR 54 2.081 -2.284 7.715 447 HB THR 54 HB THR 54 1.632 -3.076 5.177 448 HG1 THR 54 HG1 THR 54 2.132 -5.173 5.206 449 HG21 THR 54 3HG2 THR 54 4.401 -2.700 6.318 450 HG22 THR 54 1HG2 THR 54 3.266 -1.386 6.014 451 HG23 THR 54 2HG2 THR 54 3.871 -2.356 4.672 452 H TYR 55 H TYR 55 0.096 -1.459 7.750 453 HA TYR 55 HA TYR 55 -2.174 -3.268 7.236 454 HB2 TYR 55 1HB TYR 55 -1.955 -0.957 9.172 455 HB3 TYR 55 2HB TYR 55 -3.468 -1.768 8.783 456 HD1 TYR 55 HD2 TYR 55 -3.801 -4.139 9.439 457 HD2 TYR 55 HD1 TYR 55 -0.375 -1.936 10.668 458 HE1 TYR 55 HE2 TYR 55 -3.355 -5.816 11.182 459 HE2 TYR 55 HE1 TYR 55 0.081 -3.607 12.414 460 HH TYR 55 HH TYR 55 -0.679 -6.355 12.573 461 H GLU 56 H GLU 56 -3.951 -2.461 6.099 462 HA GLU 56 HA GLU 56 -3.378 -0.035 4.534 463 HB2 GLU 56 1HB GLU 56 -5.075 -2.446 3.874 464 HB3 GLU 56 2HB GLU 56 -4.990 -1.001 2.877 465 HG2 GLU 56 1HG GLU 56 -2.768 -1.396 2.283 466 HG3 GLU 56 2HG GLU 56 -2.527 -2.544 3.599 467 H ARG 57 H ARG 57 -4.983 1.506 4.201 468 HA ARG 57 HA ARG 57 -7.587 1.198 5.407 469 HB2 ARG 57 1HB ARG 57 -7.417 2.952 7.014 470 HB3 ARG 57 2HB ARG 57 -6.068 1.861 7.300 471 HG2 ARG 57 1HG ARG 57 -4.552 3.375 6.197 472 HG3 ARG 57 2HG ARG 57 -5.889 4.440 5.758 473 HD2 ARG 57 1HD ARG 57 -4.615 5.243 7.718 474 HD3 ARG 57 2HD ARG 57 -6.314 4.937 8.077 475 HE ARG 57 HE ARG 57 -4.935 2.619 8.705 476 HH11 ARG 57 1HH1 ARG 57 -4.990 5.943 9.738 477 HH12 ARG 57 2HH1 ARG 57 -4.504 5.582 11.362 478 HH21 ARG 57 1HH2 ARG 57 -4.294 2.131 10.839 479 HH22 ARG 57 2HH2 ARG 57 -4.107 3.414 11.986 480 H GLN 58 H GLN 58 -9.069 2.801 4.759 481 HA GLN 58 HA GLN 58 -8.244 4.225 2.351 482 HB2 GLN 58 1HB GLN 58 -10.793 3.185 3.429 483 HB3 GLN 58 2HB GLN 58 -10.906 4.687 2.521 484 HG2 GLN 58 1HG GLN 58 -9.446 3.360 0.784 485 HG3 GLN 58 2HG GLN 58 -10.146 1.966 1.605 486 HE21 GLN 58 2HE2 GLN 58 -10.685 4.573 -0.555 487 HE22 GLN 58 1HE2 GLN 58 -12.323 4.196 -0.956 488 H GLY 59 H GLY 59 -8.353 6.421 2.088 489 HA2 GLY 59 1HA GLY 59 -9.259 8.020 4.388 490 HA3 GLY 59 2HA GLY 59 -7.648 8.276 3.734 491 H PHE 60 H PHE 60 -10.512 9.666 3.820 492 HA PHE 60 HA PHE 60 -10.807 10.308 1.004 493 HB2 PHE 60 1HB PHE 60 -12.318 11.414 3.378 494 HB3 PHE 60 2HB PHE 60 -12.768 11.569 1.683 495 HD1 PHE 60 HD1 PHE 60 -12.393 9.180 4.471 496 HD2 PHE 60 HD2 PHE 60 -13.959 9.863 0.572 497 HE1 PHE 60 HE1 PHE 60 -13.697 7.100 4.634 498 HE2 PHE 60 HE2 PHE 60 -15.266 7.784 0.729 499 HZ PHE 60 HZ PHE 60 -15.136 6.400 2.762 500 H VAL 61 H VAL 61 -9.928 12.013 0.033 501 HA VAL 61 HA VAL 61 -9.189 14.364 1.607 502 HB VAL 61 HB VAL 61 -6.983 14.472 0.392 503 HG11 VAL 61 1HG1 VAL 61 -5.878 12.828 1.905 504 HG12 VAL 61 2HG1 VAL 61 -7.026 13.895 2.717 505 HG13 VAL 61 3HG1 VAL 61 -7.478 12.230 2.345 506 HG21 VAL 61 3HG2 VAL 61 -6.289 12.864 -1.007 507 HG22 VAL 61 1HG2 VAL 61 -6.886 11.572 0.036 508 HG23 VAL 61 2HG2 VAL 61 -7.986 12.389 -1.074 509 HA PRO 62 HA PRO 62 -10.660 16.614 -1.864 510 HB2 PRO 62 1HB PRO 62 -9.120 18.846 -1.735 511 HB3 PRO 62 2HB PRO 62 -10.420 18.508 -0.586 512 HG2 PRO 62 1HG PRO 62 -7.471 18.091 -0.285 513 HG3 PRO 62 2HG PRO 62 -8.634 18.746 0.883 514 HD2 PRO 62 1HD PRO 62 -7.747 16.190 0.987 515 HD3 PRO 62 2HD PRO 62 -9.381 16.656 1.502 516 H ALA 63 H ALA 63 -10.273 16.000 -3.895 517 HA ALA 63 HA ALA 63 -7.770 15.259 -4.924 518 HB1 ALA 63 1HB ALA 63 -9.979 16.205 -6.704 519 HB2 ALA 63 2HB ALA 63 -8.848 14.871 -6.934 520 HB3 ALA 63 3HB ALA 63 -10.162 14.722 -5.767 521 H ALA 64 H ALA 64 -9.353 18.341 -4.700 522 HA ALA 64 HA ALA 64 -7.920 19.722 -6.701 523 HB1 ALA 64 1HB ALA 64 -9.174 20.784 -4.171 524 HB2 ALA 64 2HB ALA 64 -8.645 21.758 -5.544 525 HB3 ALA 64 3HB ALA 64 -9.969 20.609 -5.736 526 H TYR 65 H TYR 65 -6.929 18.463 -3.717 527 HA TYR 65 HA TYR 65 -4.656 20.314 -3.541 528 HB2 TYR 65 1HB TYR 65 -6.042 18.546 -1.571 529 HB3 TYR 65 2HB TYR 65 -4.344 18.929 -1.314 530 HD1 TYR 65 HD2 TYR 65 -7.022 21.107 -2.703 531 HD2 TYR 65 HD1 TYR 65 -4.377 20.349 0.542 532 HE1 TYR 65 HE2 TYR 65 -7.664 23.252 -1.687 533 HE2 TYR 65 HE1 TYR 65 -5.013 22.492 1.569 534 HH TYR 65 HH TYR 65 -7.413 24.620 0.038 535 H VAL 66 H VAL 66 -5.445 17.391 -4.861 536 HA VAL 66 HA VAL 66 -2.629 16.549 -4.868 537 HB VAL 66 HB VAL 66 -3.213 14.225 -4.674 538 HG11 VAL 66 1HG1 VAL 66 -3.491 14.198 -2.421 539 HG12 VAL 66 2HG1 VAL 66 -3.216 15.929 -2.621 540 HG13 VAL 66 3HG1 VAL 66 -4.860 15.308 -2.465 541 HG21 VAL 66 3HG2 VAL 66 -5.816 15.154 -5.409 542 HG22 VAL 66 1HG2 VAL 66 -5.206 13.501 -5.333 543 HG23 VAL 66 2HG2 VAL 66 -5.924 14.243 -3.903 544 H LYS 67 H LYS 67 -2.658 14.478 -6.545 545 HA LYS 67 HA LYS 67 -4.273 15.024 -8.878 546 HB2 LYS 67 1HB LYS 67 -1.321 15.609 -8.804 547 HB3 LYS 67 2HB LYS 67 -2.144 15.219 -10.308 548 HG2 LYS 67 1HG LYS 67 -3.771 17.136 -9.509 549 HG3 LYS 67 2HG LYS 67 -2.341 17.643 -8.606 550 HD2 LYS 67 1HD LYS 67 -2.470 17.156 -11.583 551 HD3 LYS 67 2HD LYS 67 -2.459 18.736 -10.795 552 HE2 LYS 67 1HE LYS 67 -0.260 17.578 -9.697 553 HE3 LYS 67 2HE LYS 67 -0.259 16.855 -11.305 554 HZ1 LYS 67 3HZ LYS 67 -0.490 19.775 -10.855 555 HZ2 LYS 67 1HZ LYS 67 -0.167 18.972 -12.309 556 HZ3 LYS 67 2HZ LYS 67 0.994 18.994 -11.079 557 H LYS 68 H LYS 68 -3.797 13.472 -10.654 558 HA LYS 68 HA LYS 68 -2.961 10.896 -9.513 559 HB2 LYS 68 1HB LYS 68 -5.319 11.327 -10.530 560 HB3 LYS 68 2HB LYS 68 -4.495 11.191 -12.077 561 HG2 LYS 68 1HG LYS 68 -3.595 8.959 -11.132 562 HG3 LYS 68 2HG LYS 68 -4.919 9.110 -9.975 563 HD2 LYS 68 1HD LYS 68 -5.384 9.365 -12.930 564 HD3 LYS 68 2HD LYS 68 -5.344 7.788 -12.138 565 HE2 LYS 68 1HE LYS 68 -7.243 8.236 -10.876 566 HE3 LYS 68 2HE LYS 68 -7.077 9.981 -11.066 567 HZ1 LYS 68 3HZ LYS 68 -7.511 9.504 -13.527 568 HZ2 LYS 68 1HZ LYS 68 -8.825 9.431 -12.463 569 HZ3 LYS 68 2HZ LYS 68 -8.095 8.005 -13.006 570 H LEU 69 H LEU 69 -1.267 9.811 -10.321 571 HA LEU 69 HA LEU 69 0.556 11.071 -12.060 572 HB2 LEU 69 1HB LEU 69 0.329 8.437 -10.738 573 HB3 LEU 69 2HB LEU 69 1.382 8.520 -12.149 574 HG LEU 69 HG LEU 69 2.617 8.793 -10.049 575 HD11 LEU 69 1HD1 LEU 69 2.868 10.270 -12.342 576 HD12 LEU 69 2HD1 LEU 69 4.051 10.189 -11.037 577 HD13 LEU 69 3HD1 LEU 69 2.879 11.506 -11.084 578 HD21 LEU 69 3HD2 LEU 69 1.102 11.372 -9.696 579 HD22 LEU 69 1HD2 LEU 69 2.294 10.660 -8.608 580 HD23 LEU 69 2HD2 LEU 69 0.723 9.886 -8.823 581 H ASP 70 H ASP 70 -2.099 8.907 -12.615 582 HA ASP 70 HA ASP 70 -1.308 8.092 -15.240 583 HB2 ASP 70 1HB ASP 70 -2.872 6.793 -13.790 584 HB3 ASP 70 2HB ASP 70 -4.075 8.060 -14.019 Start of MODEL 12 1 H1 MET 1 H MET 1 -5.739 -5.164 -4.943 2 HA MET 1 HA MET 1 -3.995 -6.942 -3.406 3 HB2 MET 1 1HB MET 1 -3.900 -5.950 -6.253 4 HB3 MET 1 2HB MET 1 -2.581 -6.849 -5.514 5 HG2 MET 1 1HG MET 1 -3.684 -8.558 -6.511 6 HG3 MET 1 2HG MET 1 -4.514 -8.550 -4.957 7 HE1 MET 1 3HE MET 1 -5.161 -9.227 -8.405 8 HE2 MET 1 1HE MET 1 -6.329 -8.060 -9.027 9 HE3 MET 1 2HE MET 1 -4.663 -7.565 -8.726 10 H ASP 2 H ASP 2 -1.550 -6.309 -3.748 11 HA ASP 2 HA ASP 2 -1.297 -3.511 -2.871 12 HB2 ASP 2 1HB ASP 2 0.951 -4.414 -1.936 13 HB3 ASP 2 2HB ASP 2 -0.541 -4.808 -1.087 14 H GLU 3 H GLU 3 -1.438 -3.773 -5.542 15 HA GLU 3 HA GLU 3 1.268 -3.954 -6.610 16 HB2 GLU 3 1HB GLU 3 -1.431 -3.606 -7.911 17 HB3 GLU 3 2HB GLU 3 0.077 -3.526 -8.809 18 HG2 GLU 3 1HG GLU 3 -0.574 -5.901 -7.113 19 HG3 GLU 3 2HG GLU 3 -1.216 -5.744 -8.747 20 H THR 4 H THR 4 -1.295 -1.584 -6.119 21 HA THR 4 HA THR 4 -1.349 0.690 -6.302 22 HB THR 4 HB THR 4 0.385 1.875 -5.241 23 HG1 THR 4 HG1 THR 4 2.518 0.973 -5.070 24 HG21 THR 4 3HG2 THR 4 -0.700 0.292 -3.737 25 HG22 THR 4 1HG2 THR 4 0.996 0.492 -3.299 26 HG23 THR 4 2HG2 THR 4 0.475 -0.949 -4.172 27 H GLY 5 H GLY 5 -0.690 -0.826 -8.728 28 HA2 GLY 5 1HA GLY 5 0.843 1.258 -10.157 29 HA3 GLY 5 2HA GLY 5 0.894 -0.443 -10.595 30 H LYS 6 H LYS 6 -2.138 0.869 -9.620 31 HA LYS 6 HA LYS 6 -3.079 0.661 -12.392 32 HB2 LYS 6 1HB LYS 6 -4.430 0.387 -9.725 33 HB3 LYS 6 2HB LYS 6 -5.374 0.723 -11.170 34 HG2 LYS 6 1HG LYS 6 -5.472 -1.579 -11.009 35 HG3 LYS 6 2HG LYS 6 -4.162 -1.326 -12.164 36 HD2 LYS 6 1HD LYS 6 -2.514 -1.834 -10.577 37 HD3 LYS 6 2HD LYS 6 -3.627 -1.618 -9.224 38 HE2 LYS 6 1HE LYS 6 -3.489 -3.914 -9.346 39 HE3 LYS 6 2HE LYS 6 -4.913 -3.596 -10.335 40 HZ1 LYS 6 3HZ LYS 6 -3.894 -4.331 -12.165 41 HZ2 LYS 6 1HZ LYS 6 -2.791 -5.062 -11.110 42 HZ3 LYS 6 2HZ LYS 6 -2.433 -3.560 -11.801 43 H GLU 7 H GLU 7 -3.996 2.597 -9.537 44 HA GLU 7 HA GLU 7 -3.940 4.993 -11.234 45 HB2 GLU 7 1HB GLU 7 -6.191 4.080 -9.450 46 HB3 GLU 7 2HB GLU 7 -6.017 5.752 -9.963 47 HG2 GLU 7 1HG GLU 7 -5.994 3.640 -12.047 48 HG3 GLU 7 2HG GLU 7 -7.528 4.040 -11.276 49 H LEU 8 H LEU 8 -1.962 5.528 -10.226 50 HA LEU 8 HA LEU 8 -1.951 5.952 -7.348 51 HB2 LEU 8 1HB LEU 8 -0.025 5.097 -8.986 52 HB3 LEU 8 2HB LEU 8 0.317 6.825 -9.045 53 HG LEU 8 HG LEU 8 0.602 6.846 -6.609 54 HD11 LEU 8 1HD1 LEU 8 0.783 4.634 -5.448 55 HD12 LEU 8 2HD1 LEU 8 0.023 3.902 -6.861 56 HD13 LEU 8 3HD1 LEU 8 -0.854 5.100 -5.910 57 HD21 LEU 8 3HD2 LEU 8 2.264 5.383 -8.492 58 HD22 LEU 8 1HD2 LEU 8 2.517 4.873 -6.823 59 HD23 LEU 8 2HD2 LEU 8 2.715 6.569 -7.266 60 H VAL 9 H VAL 9 -1.632 7.953 -6.354 61 HA VAL 9 HA VAL 9 -1.889 10.333 -8.056 62 HB VAL 9 HB VAL 9 -3.461 11.296 -6.327 63 HG11 VAL 9 1HG1 VAL 9 -4.843 8.963 -7.526 64 HG12 VAL 9 2HG1 VAL 9 -5.262 10.677 -7.569 65 HG13 VAL 9 3HG1 VAL 9 -3.990 10.052 -8.619 66 HG21 VAL 9 3HG2 VAL 9 -2.828 9.034 -4.904 67 HG22 VAL 9 1HG2 VAL 9 -4.181 10.115 -4.569 68 HG23 VAL 9 2HG2 VAL 9 -4.432 8.661 -5.536 69 H LEU 10 H LEU 10 -0.849 12.147 -7.321 70 HA LEU 10 HA LEU 10 0.792 11.789 -4.902 71 HB2 LEU 10 1HB LEU 10 2.064 11.957 -6.986 72 HB3 LEU 10 2HB LEU 10 1.303 13.510 -7.325 73 HG LEU 10 HG LEU 10 2.383 14.169 -5.014 74 HD11 LEU 10 1HD1 LEU 10 4.535 12.327 -5.900 75 HD12 LEU 10 2HD1 LEU 10 3.212 11.660 -4.945 76 HD13 LEU 10 3HD1 LEU 10 4.188 12.979 -4.299 77 HD21 LEU 10 3HD2 LEU 10 3.564 14.059 -7.750 78 HD22 LEU 10 1HD2 LEU 10 4.551 14.641 -6.409 79 HD23 LEU 10 2HD2 LEU 10 3.034 15.451 -6.804 80 H ALA 11 H ALA 11 0.899 13.401 -3.378 81 HA ALA 11 HA ALA 11 -1.311 15.267 -3.362 82 HB1 ALA 11 1HB ALA 11 0.725 14.393 -1.356 83 HB2 ALA 11 2HB ALA 11 -0.221 15.856 -1.079 84 HB3 ALA 11 3HB ALA 11 -1.035 14.304 -1.280 85 H LEU 12 H LEU 12 -1.217 17.356 -3.879 86 HA LEU 12 HA LEU 12 1.352 18.497 -4.637 87 HB2 LEU 12 1HB LEU 12 -1.453 19.557 -4.939 88 HB3 LEU 12 2HB LEU 12 -0.001 20.333 -5.568 89 HG LEU 12 HG LEU 12 -1.009 17.622 -6.427 90 HD11 LEU 12 1HD1 LEU 12 -1.267 19.201 -8.593 91 HD12 LEU 12 2HD1 LEU 12 -1.651 20.354 -7.316 92 HD13 LEU 12 3HD1 LEU 12 -2.577 18.861 -7.462 93 HD21 LEU 12 3HD2 LEU 12 1.510 18.826 -6.684 94 HD22 LEU 12 1HD2 LEU 12 0.735 18.977 -8.260 95 HD23 LEU 12 2HD2 LEU 12 0.912 17.389 -7.515 96 H TYR 13 H TYR 13 -1.250 19.013 -2.322 97 HA TYR 13 HA TYR 13 0.417 21.052 -0.999 98 HB2 TYR 13 1HB TYR 13 -2.596 20.786 -0.958 99 HB3 TYR 13 2HB TYR 13 -1.666 21.999 -0.086 100 HD1 TYR 13 HD2 TYR 13 -2.466 20.781 -3.504 101 HD2 TYR 13 HD1 TYR 13 -1.078 24.020 -1.120 102 HE1 TYR 13 HE2 TYR 13 -2.577 22.263 -5.464 103 HE2 TYR 13 HE1 TYR 13 -1.186 25.512 -3.073 104 HH TYR 13 HH TYR 13 -1.142 25.326 -5.536 105 H ASP 14 H ASP 14 -0.452 21.248 1.427 106 HA ASP 14 HA ASP 14 -0.137 18.556 2.550 107 HB2 ASP 14 1HB ASP 14 0.432 19.802 4.664 108 HB3 ASP 14 2HB ASP 14 1.544 20.074 3.326 109 H TYR 15 H TYR 15 -1.601 17.663 3.924 110 HA TYR 15 HA TYR 15 -3.906 19.268 4.756 111 HB2 TYR 15 1HB TYR 15 -4.370 17.975 2.598 112 HB3 TYR 15 2HB TYR 15 -4.269 16.516 3.577 113 HD1 TYR 15 HD1 TYR 15 -6.059 19.782 3.392 114 HD2 TYR 15 HD2 TYR 15 -6.172 15.719 4.649 115 HE1 TYR 15 HE1 TYR 15 -8.423 20.047 4.017 116 HE2 TYR 15 HE2 TYR 15 -8.537 15.972 5.275 117 HH TYR 15 HH TYR 15 -10.294 18.975 4.644 118 H GLN 16 H GLN 16 -5.248 18.114 6.394 119 HA GLN 16 HA GLN 16 -3.648 16.221 7.981 120 HB2 GLN 16 1HB GLN 16 -4.717 17.389 10.008 121 HB3 GLN 16 2HB GLN 16 -3.388 18.204 9.195 122 HG2 GLN 16 1HG GLN 16 -5.098 19.799 9.712 123 HG3 GLN 16 2HG GLN 16 -5.020 19.579 7.965 124 HE21 GLN 16 2HE2 GLN 16 -6.898 19.397 6.994 125 HE22 GLN 16 1HE2 GLN 16 -8.364 18.819 7.701 126 H GLU 17 H GLU 17 -4.840 14.776 9.316 127 HA GLU 17 HA GLU 17 -7.551 14.289 8.301 128 HB2 GLU 17 1HB GLU 17 -7.275 12.005 8.943 129 HB3 GLU 17 2HB GLU 17 -5.814 12.490 8.094 130 HG2 GLU 17 1HG GLU 17 -4.768 12.894 10.343 131 HG3 GLU 17 2HG GLU 17 -6.186 12.123 11.052 132 H LYS 18 H LYS 18 -9.300 14.275 9.606 133 HA LYS 18 HA LYS 18 -8.853 14.970 12.431 134 HB2 LYS 18 1HB LYS 18 -11.350 15.421 10.790 135 HB3 LYS 18 2HB LYS 18 -11.021 16.036 12.405 136 HG2 LYS 18 1HG LYS 18 -10.047 17.840 11.574 137 HG3 LYS 18 2HG LYS 18 -8.941 16.856 10.613 138 HD2 LYS 18 1HD LYS 18 -11.758 17.590 9.814 139 HD3 LYS 18 2HD LYS 18 -10.295 18.387 9.230 140 HE2 LYS 18 1HE LYS 18 -9.530 16.182 8.354 141 HE3 LYS 18 2HE LYS 18 -11.096 15.511 8.808 142 HZ1 LYS 18 3HZ LYS 18 -11.654 17.771 7.339 143 HZ2 LYS 18 1HZ LYS 18 -11.819 16.165 6.833 144 HZ3 LYS 18 2HZ LYS 18 -10.392 17.013 6.505 145 H SER 19 H SER 19 -10.864 12.998 10.278 146 HA SER 19 HA SER 19 -11.869 11.494 12.575 147 HB2 SER 19 1HB SER 19 -12.792 10.535 10.000 148 HB3 SER 19 2HB SER 19 -13.724 11.184 11.349 149 HG SER 19 HG SER 19 -12.963 13.307 10.532 150 HA PRO 20 HA PRO 20 -9.315 7.974 12.007 151 HB2 PRO 20 1HB PRO 20 -11.037 5.920 12.438 152 HB3 PRO 20 2HB PRO 20 -10.462 6.979 13.731 153 HG2 PRO 20 1HG PRO 20 -13.050 7.058 12.229 154 HG3 PRO 20 2HG PRO 20 -12.758 7.263 13.966 155 HD2 PRO 20 1HD PRO 20 -13.161 9.359 12.299 156 HD3 PRO 20 2HD PRO 20 -12.109 9.462 13.725 157 H ARG 21 H ARG 21 -11.977 8.508 9.931 158 HA ARG 21 HA ARG 21 -11.389 6.240 8.209 159 HB2 ARG 21 1HB ARG 21 -13.247 7.170 6.814 160 HB3 ARG 21 2HB ARG 21 -13.713 6.770 8.462 161 HG2 ARG 21 1HG ARG 21 -14.007 8.960 9.060 162 HG3 ARG 21 2HG ARG 21 -12.864 9.555 7.854 163 HD2 ARG 21 1HD ARG 21 -14.410 9.419 6.133 164 HD3 ARG 21 2HD ARG 21 -15.410 8.247 6.991 165 HE ARG 21 HE ARG 21 -15.466 10.590 8.471 166 HH11 ARG 21 1HH1 ARG 21 -16.423 9.511 5.302 167 HH12 ARG 21 2HH1 ARG 21 -17.734 10.636 5.172 168 HH21 ARG 21 1HH2 ARG 21 -17.189 12.076 8.311 169 HH22 ARG 21 2HH2 ARG 21 -18.169 12.095 6.884 170 H GLU 22 H GLU 22 -10.700 9.626 8.445 171 HA GLU 22 HA GLU 22 -9.879 9.912 5.696 172 HB2 GLU 22 1HB GLU 22 -10.068 11.659 8.075 173 HB3 GLU 22 2HB GLU 22 -8.809 12.073 6.921 174 HG2 GLU 22 1HG GLU 22 -10.437 13.260 5.949 175 HG3 GLU 22 2HG GLU 22 -10.888 11.707 5.249 176 H VAL 23 H VAL 23 -7.600 10.970 5.391 177 HA VAL 23 HA VAL 23 -5.590 9.583 7.015 178 HB VAL 23 HB VAL 23 -4.342 9.119 4.821 179 HG11 VAL 23 1HG1 VAL 23 -5.981 7.586 6.382 180 HG12 VAL 23 2HG1 VAL 23 -6.653 7.330 4.771 181 HG13 VAL 23 3HG1 VAL 23 -4.952 6.981 5.084 182 HG21 VAL 23 3HG2 VAL 23 -7.127 9.262 3.680 183 HG22 VAL 23 1HG2 VAL 23 -5.905 10.512 3.450 184 HG23 VAL 23 2HG2 VAL 23 -5.632 8.886 2.824 185 H THR 24 H THR 24 -3.569 10.577 7.088 186 HA THR 24 HA THR 24 -3.605 13.405 6.456 187 HB THR 24 HB THR 24 -1.509 11.741 7.865 188 HG1 THR 24 HG1 THR 24 -2.448 12.480 9.716 189 HG21 THR 24 3HG2 THR 24 -1.724 14.688 7.314 190 HG22 THR 24 1HG2 THR 24 -0.357 13.610 7.031 191 HG23 THR 24 2HG2 THR 24 -0.795 14.066 8.678 192 H MET 25 H MET 25 -2.734 14.275 4.696 193 HA MET 25 HA MET 25 -0.663 12.753 3.255 194 HB2 MET 25 1HB MET 25 -1.583 13.808 1.163 195 HB3 MET 25 2HB MET 25 -2.638 12.624 1.925 196 HG2 MET 25 1HG MET 25 -4.089 14.274 2.737 197 HG3 MET 25 2HG MET 25 -2.922 15.561 2.444 198 HE1 MET 25 3HE MET 25 -4.406 12.580 0.671 199 HE2 MET 25 1HE MET 25 -5.034 13.193 -0.858 200 HE3 MET 25 2HE MET 25 -3.299 12.951 -0.652 201 H LYS 26 H LYS 26 0.810 14.065 1.964 202 HA LYS 26 HA LYS 26 0.968 16.889 2.679 203 HB2 LYS 26 1HB LYS 26 3.176 16.789 3.538 204 HB3 LYS 26 2HB LYS 26 2.275 15.529 4.371 205 HG2 LYS 26 1HG LYS 26 4.018 14.235 3.847 206 HG3 LYS 26 2HG LYS 26 3.271 14.155 2.250 207 HD2 LYS 26 1HD LYS 26 5.438 14.770 1.734 208 HD3 LYS 26 2HD LYS 26 4.625 16.335 1.805 209 HE2 LYS 26 1HE LYS 26 6.558 16.691 3.042 210 HE3 LYS 26 2HE LYS 26 5.353 16.344 4.281 211 HZ1 LYS 26 3HZ LYS 26 6.309 13.896 3.719 212 HZ2 LYS 26 1HZ LYS 26 6.858 14.870 4.988 213 HZ3 LYS 26 2HZ LYS 26 7.697 14.843 3.520 214 H LYS 27 H LYS 27 2.230 18.138 1.257 215 HA LYS 27 HA LYS 27 2.140 17.486 -1.418 216 HB2 LYS 27 1HB LYS 27 3.948 19.286 -1.666 217 HB3 LYS 27 2HB LYS 27 2.434 19.758 -0.905 218 HG2 LYS 27 1HG LYS 27 4.412 18.811 1.006 219 HG3 LYS 27 2HG LYS 27 4.953 20.215 0.083 220 HD2 LYS 27 1HD LYS 27 2.282 20.073 1.469 221 HD3 LYS 27 2HD LYS 27 3.735 20.729 2.228 222 HE2 LYS 27 1HE LYS 27 2.609 21.723 -0.384 223 HE3 LYS 27 2HE LYS 27 2.221 22.432 1.182 224 HZ1 LYS 27 3HZ LYS 27 5.017 22.198 0.919 225 HZ2 LYS 27 1HZ LYS 27 4.085 23.597 1.109 226 HZ3 LYS 27 2HZ LYS 27 4.401 22.996 -0.440 227 H GLY 28 H GLY 28 3.016 15.692 -2.262 228 HA2 GLY 28 1HA GLY 28 5.149 14.965 -3.291 229 HA3 GLY 28 2HA GLY 28 5.877 15.194 -1.708 230 H ASP 29 H ASP 29 2.987 14.016 -0.938 231 HA ASP 29 HA ASP 29 4.015 11.371 -0.468 232 HB2 ASP 29 1HB ASP 29 2.543 12.670 1.133 233 HB3 ASP 29 2HB ASP 29 1.203 12.349 0.035 234 H ILE 30 H ILE 30 2.903 9.407 -1.092 235 HA ILE 30 HA ILE 30 1.401 9.664 -3.612 236 HB ILE 30 HB ILE 30 3.526 7.605 -3.008 237 HG12 ILE 30 1HG1 ILE 30 3.548 9.679 -5.195 238 HG13 ILE 30 2HG1 ILE 30 4.239 9.992 -3.607 239 HG21 ILE 30 1HG2 ILE 30 3.144 6.870 -5.332 240 HG22 ILE 30 2HG2 ILE 30 1.734 6.632 -4.300 241 HG23 ILE 30 3HG2 ILE 30 1.778 7.981 -5.435 242 HD11 ILE 30 3HD1 ILE 30 6.031 9.336 -4.960 243 HD12 ILE 30 1HD1 ILE 30 5.650 7.920 -3.980 244 HD13 ILE 30 2HD1 ILE 30 5.122 7.998 -5.662 245 H LEU 31 H LEU 31 -0.531 8.746 -3.510 246 HA LEU 31 HA LEU 31 -0.918 6.472 -1.678 247 HB2 LEU 31 1HB LEU 31 -3.127 8.369 -2.362 248 HB3 LEU 31 2HB LEU 31 -2.987 7.274 -0.988 249 HG LEU 31 HG LEU 31 -0.922 8.969 -0.508 250 HD11 LEU 31 1HD1 LEU 31 -3.047 10.882 -1.306 251 HD12 LEU 31 2HD1 LEU 31 -1.973 10.263 -2.561 252 HD13 LEU 31 3HD1 LEU 31 -1.304 11.114 -1.169 253 HD21 LEU 31 3HD2 LEU 31 -3.558 8.461 0.514 254 HD22 LEU 31 1HD2 LEU 31 -3.154 10.170 0.687 255 HD23 LEU 31 2HD2 LEU 31 -2.095 8.939 1.376 256 H THR 32 H THR 32 -2.796 5.090 -2.265 257 HA THR 32 HA THR 32 -2.833 4.692 -5.166 258 HB THR 32 HB THR 32 -3.837 2.817 -3.017 259 HG1 THR 32 HG1 THR 32 -1.427 2.450 -4.435 260 HG21 THR 32 3HG2 THR 32 -2.952 1.972 -5.737 261 HG22 THR 32 1HG2 THR 32 -4.548 2.696 -5.552 262 HG23 THR 32 2HG2 THR 32 -4.135 1.233 -4.658 263 H LEU 33 H LEU 33 -4.433 5.766 -6.143 264 HA LEU 33 HA LEU 33 -6.807 6.646 -4.985 265 HB2 LEU 33 1HB LEU 33 -5.623 7.130 -7.306 266 HB3 LEU 33 2HB LEU 33 -6.792 5.939 -7.871 267 HG LEU 33 HG LEU 33 -7.713 8.097 -8.260 268 HD11 LEU 33 1HD1 LEU 33 -8.956 6.888 -5.794 269 HD12 LEU 33 2HD1 LEU 33 -9.298 6.443 -7.466 270 HD13 LEU 33 3HD1 LEU 33 -9.736 8.045 -6.873 271 HD21 LEU 33 3HD2 LEU 33 -6.423 8.727 -5.751 272 HD22 LEU 33 1HD2 LEU 33 -8.096 9.284 -5.778 273 HD23 LEU 33 2HD2 LEU 33 -6.974 9.802 -7.037 274 H LEU 34 H LEU 34 -8.387 5.470 -4.143 275 HA LEU 34 HA LEU 34 -8.898 2.780 -5.163 276 HB2 LEU 34 1HB LEU 34 -8.688 3.583 -2.650 277 HB3 LEU 34 2HB LEU 34 -10.401 3.932 -2.870 278 HG LEU 34 HG LEU 34 -9.451 1.225 -3.632 279 HD11 LEU 34 1HD1 LEU 34 -8.717 2.255 -1.160 280 HD12 LEU 34 2HD1 LEU 34 -8.797 0.554 -1.618 281 HD13 LEU 34 3HD1 LEU 34 -10.179 1.323 -0.838 282 HD21 LEU 34 3HD2 LEU 34 -11.668 1.099 -3.844 283 HD22 LEU 34 1HD2 LEU 34 -11.922 2.593 -2.942 284 HD23 LEU 34 2HD2 LEU 34 -11.726 1.066 -2.081 285 H ASN 35 H ASN 35 -10.663 5.785 -4.456 286 HA ASN 35 HA ASN 35 -12.573 5.075 -6.561 287 HB2 ASN 35 1HB ASN 35 -13.560 4.430 -4.369 288 HB3 ASN 35 2HB ASN 35 -13.406 6.103 -3.840 289 HD21 ASN 35 2HD2 ASN 35 -14.421 4.726 -6.938 290 HD22 ASN 35 1HD2 ASN 35 -15.984 5.462 -6.950 291 H SER 36 H SER 36 -12.512 6.659 -7.999 292 HA SER 36 HA SER 36 -12.087 9.415 -7.044 293 HB2 SER 36 1HB SER 36 -10.662 9.811 -8.766 294 HB3 SER 36 2HB SER 36 -10.499 8.055 -8.786 295 HG SER 36 HG SER 36 -11.199 8.225 -10.757 296 H THR 37 H THR 37 -14.572 7.665 -7.607 297 HA THR 37 HA THR 37 -15.994 8.572 -9.793 298 HB THR 37 HB THR 37 -16.779 6.786 -8.264 299 HG1 THR 37 HG1 THR 37 -18.340 7.588 -9.618 300 HG21 THR 37 3HG2 THR 37 -17.638 7.185 -6.146 301 HG22 THR 37 1HG2 THR 37 -17.891 8.901 -6.459 302 HG23 THR 37 2HG2 THR 37 -16.260 8.284 -6.198 303 H ASN 38 H ASN 38 -15.366 10.178 -6.745 304 HA ASN 38 HA ASN 38 -17.187 12.357 -7.376 305 HB2 ASN 38 1HB ASN 38 -16.314 11.254 -4.998 306 HB3 ASN 38 2HB ASN 38 -15.397 12.755 -5.097 307 HD21 ASN 38 2HD2 ASN 38 -17.215 12.390 -3.110 308 HD22 ASN 38 1HD2 ASN 38 -18.576 13.425 -3.357 309 H LYS 39 H LYS 39 -16.246 14.633 -6.932 310 HA LYS 39 HA LYS 39 -13.692 14.863 -8.386 311 HB2 LYS 39 1HB LYS 39 -14.519 17.047 -9.206 312 HB3 LYS 39 2HB LYS 39 -15.524 15.702 -9.731 313 HG2 LYS 39 1HG LYS 39 -17.208 16.240 -8.132 314 HG3 LYS 39 2HG LYS 39 -16.169 17.442 -7.363 315 HD2 LYS 39 1HD LYS 39 -16.186 18.747 -9.461 316 HD3 LYS 39 2HD LYS 39 -17.297 17.567 -10.160 317 HE2 LYS 39 1HE LYS 39 -18.804 18.074 -8.158 318 HE3 LYS 39 2HE LYS 39 -17.772 19.478 -7.891 319 HZ1 LYS 39 3HZ LYS 39 -19.919 19.270 -9.630 320 HZ2 LYS 39 1HZ LYS 39 -18.538 19.353 -10.604 321 HZ3 LYS 39 2HZ LYS 39 -18.847 20.569 -9.470 322 H ASP 40 H ASP 40 -15.435 15.631 -5.542 323 HA ASP 40 HA ASP 40 -13.492 17.677 -4.750 324 HB2 ASP 40 1HB ASP 40 -15.989 16.790 -3.291 325 HB3 ASP 40 2HB ASP 40 -15.005 18.208 -2.938 326 H TRP 41 H TRP 41 -14.996 14.741 -3.395 327 HA TRP 41 HA TRP 41 -12.671 14.437 -1.630 328 HB2 TRP 41 1HB TRP 41 -15.446 13.251 -1.552 329 HB3 TRP 41 2HB TRP 41 -14.142 12.694 -0.507 330 HD1 TRP 41 HD1 TRP 41 -16.857 15.198 -0.653 331 HE1 TRP 41 HE1 TRP 41 -16.633 16.886 1.277 332 HE3 TRP 41 HE3 TRP 41 -12.119 14.047 0.886 333 HZ2 TRP 41 HZ2 TRP 41 -14.702 17.632 3.197 334 HZ3 TRP 41 HZ3 TRP 41 -11.157 15.295 2.775 335 HH2 TRP 41 HH2 TRP 41 -12.423 17.050 3.905 336 H TRP 42 H TRP 42 -11.098 13.230 -2.455 337 HA TRP 42 HA TRP 42 -11.796 10.979 -4.206 338 HB2 TRP 42 1HB TRP 42 -9.458 12.792 -3.989 339 HB3 TRP 42 2HB TRP 42 -9.117 11.121 -4.427 340 HD1 TRP 42 HD1 TRP 42 -12.403 12.385 -5.725 341 HE1 TRP 42 HE1 TRP 42 -12.225 12.826 -8.254 342 HE3 TRP 42 HE3 TRP 42 -7.336 11.971 -6.266 343 HZ2 TRP 42 HZ2 TRP 42 -10.204 12.977 -10.219 344 HZ3 TRP 42 HZ3 TRP 42 -6.360 12.277 -8.504 345 HH2 TRP 42 HH2 TRP 42 -7.766 12.770 -10.438 346 H LYS 43 H LYS 43 -11.425 8.922 -3.625 347 HA LYS 43 HA LYS 43 -10.439 8.431 -0.930 348 HB2 LYS 43 1HB LYS 43 -11.772 6.642 -2.965 349 HB3 LYS 43 2HB LYS 43 -11.213 6.081 -1.395 350 HG2 LYS 43 1HG LYS 43 -13.469 6.476 -1.057 351 HG3 LYS 43 2HG LYS 43 -12.703 7.938 -0.431 352 HD2 LYS 43 1HD LYS 43 -13.599 9.243 -2.035 353 HD3 LYS 43 2HD LYS 43 -13.387 8.019 -3.289 354 HE2 LYS 43 1HE LYS 43 -15.344 6.825 -2.481 355 HE3 LYS 43 2HE LYS 43 -15.536 7.990 -1.172 356 HZ1 LYS 43 3HZ LYS 43 -16.837 8.181 -3.461 357 HZ2 LYS 43 1HZ LYS 43 -15.457 9.066 -3.877 358 HZ3 LYS 43 2HZ LYS 43 -16.396 9.537 -2.552 359 H VAL 44 H VAL 44 -8.556 7.454 -0.439 360 HA VAL 44 HA VAL 44 -7.030 6.111 -2.535 361 HB VAL 44 HB VAL 44 -4.951 7.372 -1.640 362 HG11 VAL 44 1HG1 VAL 44 -5.482 7.660 -3.891 363 HG12 VAL 44 2HG1 VAL 44 -7.008 8.467 -3.526 364 HG13 VAL 44 3HG1 VAL 44 -5.479 9.303 -3.253 365 HG21 VAL 44 3HG2 VAL 44 -5.393 9.667 -0.917 366 HG22 VAL 44 1HG2 VAL 44 -7.126 9.338 -0.928 367 HG23 VAL 44 2HG2 VAL 44 -6.075 8.497 0.212 368 H GLU 45 H GLU 45 -5.383 4.720 -1.745 369 HA GLU 45 HA GLU 45 -5.810 3.926 1.051 370 HB2 GLU 45 1HB GLU 45 -6.271 2.200 -0.630 371 HB3 GLU 45 2HB GLU 45 -4.636 2.364 -1.257 372 HG2 GLU 45 1HG GLU 45 -5.031 1.686 1.616 373 HG3 GLU 45 2HG GLU 45 -5.248 0.437 0.391 374 H VAL 46 H VAL 46 -4.173 3.861 2.500 375 HA VAL 46 HA VAL 46 -1.508 4.690 1.547 376 HB VAL 46 HB VAL 46 -1.145 5.847 3.636 377 HG11 VAL 46 1HG1 VAL 46 -3.865 6.787 2.848 378 HG12 VAL 46 2HG1 VAL 46 -2.404 7.719 3.182 379 HG13 VAL 46 3HG1 VAL 46 -2.558 6.831 1.665 380 HG21 VAL 46 3HG2 VAL 46 -3.926 4.951 4.393 381 HG22 VAL 46 1HG2 VAL 46 -2.417 4.378 5.105 382 HG23 VAL 46 2HG2 VAL 46 -2.913 6.057 5.322 383 H LYS 47 H LYS 47 0.167 4.207 3.416 384 HA LYS 47 HA LYS 47 -0.275 1.428 4.292 385 HB2 LYS 47 1HB LYS 47 1.410 1.869 2.385 386 HB3 LYS 47 2HB LYS 47 2.437 2.551 3.639 387 HG2 LYS 47 1HG LYS 47 3.166 0.355 3.457 388 HG3 LYS 47 2HG LYS 47 2.093 0.321 4.859 389 HD2 LYS 47 1HD LYS 47 0.403 -0.774 3.692 390 HD3 LYS 47 2HD LYS 47 1.047 -0.297 2.120 391 HE2 LYS 47 1HE LYS 47 2.761 -1.994 3.847 392 HE3 LYS 47 2HE LYS 47 1.349 -2.751 3.113 393 HZ1 LYS 47 3HZ LYS 47 3.769 -2.396 1.922 394 HZ2 LYS 47 1HZ LYS 47 2.831 -1.155 1.257 395 HZ3 LYS 47 2HZ LYS 47 2.321 -2.762 1.128 396 H ILE 48 H ILE 48 -0.573 1.462 6.425 397 HA ILE 48 HA ILE 48 1.111 3.252 8.048 398 HB ILE 48 HB ILE 48 -1.557 2.020 8.745 399 HG12 ILE 48 1HG1 ILE 48 -1.001 4.958 8.503 400 HG13 ILE 48 2HG1 ILE 48 -1.347 4.010 7.061 401 HG21 ILE 48 1HG2 ILE 48 -1.056 2.404 10.871 402 HG22 ILE 48 2HG2 ILE 48 0.527 3.026 10.407 403 HG23 ILE 48 3HG2 ILE 48 -0.855 4.117 10.503 404 HD11 ILE 48 3HD1 ILE 48 -3.205 3.751 9.351 405 HD12 ILE 48 1HD1 ILE 48 -3.238 5.251 8.425 406 HD13 ILE 48 2HD1 ILE 48 -3.525 3.709 7.618 407 H THR 49 H THR 49 2.713 2.290 9.089 408 HA THR 49 HA THR 49 2.586 -0.586 9.599 409 HB THR 49 HB THR 49 4.922 1.310 9.908 410 HG1 THR 49 HG1 THR 49 3.920 -0.179 7.765 411 HG21 THR 49 3HG2 THR 49 4.772 -1.706 9.972 412 HG22 THR 49 1HG2 THR 49 5.153 -0.646 11.329 413 HG23 THR 49 2HG2 THR 49 6.263 -0.765 9.964 414 H VAL 50 H VAL 50 2.060 -1.346 11.533 415 HA VAL 50 HA VAL 50 2.650 0.281 13.911 416 HB VAL 50 HB VAL 50 0.072 -1.219 13.424 417 HG11 VAL 50 1HG1 VAL 50 0.469 -1.438 15.709 418 HG12 VAL 50 2HG1 VAL 50 1.198 0.164 15.834 419 HG13 VAL 50 3HG1 VAL 50 -0.543 0.003 15.604 420 HG21 VAL 50 3HG2 VAL 50 0.544 1.744 13.730 421 HG22 VAL 50 1HG2 VAL 50 0.270 0.919 12.196 422 HG23 VAL 50 2HG2 VAL 50 -0.998 0.946 13.421 423 H ASN 51 H ASN 51 3.689 -0.800 15.459 424 HA ASN 51 HA ASN 51 4.730 -2.489 16.573 425 HB2 ASN 51 1HB ASN 51 2.058 -3.705 15.922 426 HB3 ASN 51 2HB ASN 51 3.282 -4.630 16.786 427 HD21 ASN 51 2HD2 ASN 51 2.392 -1.209 16.960 428 HD22 ASN 51 1HD2 ASN 51 2.004 -1.218 18.644 429 H GLY 52 H GLY 52 5.393 -2.187 13.816 430 HA2 GLY 52 1HA GLY 52 6.772 -3.274 12.324 431 HA3 GLY 52 2HA GLY 52 6.751 -4.665 13.398 432 H LYS 53 H LYS 53 3.699 -3.454 12.404 433 HA LYS 53 HA LYS 53 3.483 -5.610 10.406 434 HB2 LYS 53 1HB LYS 53 1.477 -4.724 12.480 435 HB3 LYS 53 2HB LYS 53 1.057 -5.749 11.114 436 HG2 LYS 53 1HG LYS 53 2.730 -7.399 11.899 437 HG3 LYS 53 2HG LYS 53 3.000 -6.390 13.322 438 HD2 LYS 53 1HD LYS 53 0.474 -6.580 13.703 439 HD3 LYS 53 2HD LYS 53 0.524 -7.897 12.529 440 HE2 LYS 53 1HE LYS 53 2.454 -7.916 14.799 441 HE3 LYS 53 2HE LYS 53 0.775 -8.355 15.110 442 HZ1 LYS 53 3HZ LYS 53 0.955 -10.039 13.365 443 HZ2 LYS 53 1HZ LYS 53 2.074 -10.306 14.606 444 HZ3 LYS 53 2HZ LYS 53 2.583 -9.641 13.136 445 H THR 54 H THR 54 3.102 -4.864 8.438 446 HA THR 54 HA THR 54 2.334 -2.144 7.973 447 HB THR 54 HB THR 54 2.095 -3.268 5.523 448 HG1 THR 54 HG1 THR 54 4.187 -4.793 6.633 449 HG21 THR 54 3HG2 THR 54 3.579 -1.445 5.981 450 HG22 THR 54 1HG2 THR 54 4.525 -2.729 5.231 451 HG23 THR 54 2HG2 THR 54 4.617 -2.468 6.973 452 H TYR 55 H TYR 55 0.358 -1.335 7.713 453 HA TYR 55 HA TYR 55 -1.860 -3.209 7.204 454 HB2 TYR 55 1HB TYR 55 -1.815 -0.739 8.946 455 HB3 TYR 55 2HB TYR 55 -3.287 -1.596 8.500 456 HD1 TYR 55 HD2 TYR 55 -3.617 -3.950 9.283 457 HD2 TYR 55 HD1 TYR 55 -0.418 -1.525 10.694 458 HE1 TYR 55 HE2 TYR 55 -3.319 -5.467 11.197 459 HE2 TYR 55 HE1 TYR 55 -0.110 -3.036 12.611 460 HH TYR 55 HH TYR 55 -1.146 -4.704 13.825 461 H GLU 56 H GLU 56 -3.535 -2.518 5.854 462 HA GLU 56 HA GLU 56 -2.956 -0.088 4.289 463 HB2 GLU 56 1HB GLU 56 -4.019 -2.746 3.324 464 HB3 GLU 56 2HB GLU 56 -3.987 -1.286 2.345 465 HG2 GLU 56 1HG GLU 56 -1.506 -1.221 2.697 466 HG3 GLU 56 2HG GLU 56 -1.642 -2.817 3.432 467 H ARG 57 H ARG 57 -4.566 1.342 4.073 468 HA ARG 57 HA ARG 57 -7.334 0.528 4.386 469 HB2 ARG 57 1HB ARG 57 -7.849 1.946 6.218 470 HB3 ARG 57 2HB ARG 57 -6.431 1.023 6.698 471 HG2 ARG 57 1HG ARG 57 -5.004 2.933 6.169 472 HG3 ARG 57 2HG ARG 57 -6.426 3.859 5.685 473 HD2 ARG 57 1HD ARG 57 -7.301 3.334 8.051 474 HD3 ARG 57 2HD ARG 57 -5.626 2.919 8.417 475 HE ARG 57 HE ARG 57 -5.820 5.476 7.187 476 HH11 ARG 57 1HH1 ARG 57 -6.274 3.800 10.204 477 HH12 ARG 57 2HH1 ARG 57 -5.991 5.205 11.177 478 HH21 ARG 57 1HH2 ARG 57 -5.446 7.333 8.457 479 HH22 ARG 57 2HH2 ARG 57 -5.522 7.214 10.182 480 H GLN 58 H GLN 58 -8.832 2.083 3.627 481 HA GLN 58 HA GLN 58 -7.609 4.085 1.861 482 HB2 GLN 58 1HB GLN 58 -9.511 3.919 0.470 483 HB3 GLN 58 2HB GLN 58 -9.120 2.266 0.926 484 HG2 GLN 58 1HG GLN 58 -10.886 2.260 2.571 485 HG3 GLN 58 2HG GLN 58 -11.239 3.954 2.235 486 HE21 GLN 58 2HE2 GLN 58 -11.222 4.079 -0.452 487 HE22 GLN 58 1HE2 GLN 58 -12.463 3.078 -1.118 488 H GLY 59 H GLY 59 -8.142 6.220 1.966 489 HA2 GLY 59 1HA GLY 59 -10.176 7.019 3.942 490 HA3 GLY 59 2HA GLY 59 -8.563 7.714 4.012 491 H PHE 60 H PHE 60 -10.894 9.246 3.736 492 HA PHE 60 HA PHE 60 -11.033 10.018 0.931 493 HB2 PHE 60 1HB PHE 60 -12.496 11.300 3.237 494 HB3 PHE 60 2HB PHE 60 -12.914 11.352 1.527 495 HD1 PHE 60 HD2 PHE 60 -12.852 9.249 4.540 496 HD2 PHE 60 HD1 PHE 60 -14.136 9.589 0.496 497 HE1 PHE 60 HE2 PHE 60 -14.319 7.297 4.846 498 HE2 PHE 60 HE1 PHE 60 -15.606 7.639 0.796 499 HZ PHE 60 HZ PHE 60 -15.698 6.489 2.972 500 H VAL 61 H VAL 61 -10.197 11.853 0.086 501 HA VAL 61 HA VAL 61 -9.092 13.892 1.857 502 HB VAL 61 HB VAL 61 -6.980 13.906 0.403 503 HG11 VAL 61 1HG1 VAL 61 -6.753 13.337 2.672 504 HG12 VAL 61 2HG1 VAL 61 -7.585 11.795 2.455 505 HG13 VAL 61 3HG1 VAL 61 -5.967 12.027 1.791 506 HG21 VAL 61 3HG2 VAL 61 -6.338 11.716 -0.521 507 HG22 VAL 61 1HG2 VAL 61 -7.950 11.103 -0.148 508 HG23 VAL 61 2HG2 VAL 61 -7.749 12.394 -1.333 509 HA PRO 62 HA PRO 62 -10.476 16.689 -1.230 510 HB2 PRO 62 1HB PRO 62 -8.653 18.689 -1.006 511 HB3 PRO 62 2HB PRO 62 -9.901 18.385 0.210 512 HG2 PRO 62 1HG PRO 62 -7.017 17.581 0.213 513 HG3 PRO 62 2HG PRO 62 -7.997 18.238 1.537 514 HD2 PRO 62 1HD PRO 62 -7.445 15.597 1.304 515 HD3 PRO 62 2HD PRO 62 -8.963 16.197 2.001 516 H ALA 63 H ALA 63 -10.299 16.078 -3.306 517 HA ALA 63 HA ALA 63 -7.938 15.282 -4.595 518 HB1 ALA 63 1HB ALA 63 -10.304 14.774 -5.299 519 HB2 ALA 63 2HB ALA 63 -10.363 16.400 -5.980 520 HB3 ALA 63 3HB ALA 63 -9.200 15.228 -6.598 521 H ALA 64 H ALA 64 -9.375 18.420 -4.121 522 HA ALA 64 HA ALA 64 -8.010 19.830 -6.147 523 HB1 ALA 64 1HB ALA 64 -8.587 21.839 -4.886 524 HB2 ALA 64 2HB ALA 64 -9.962 20.739 -4.999 525 HB3 ALA 64 3HB ALA 64 -9.039 20.845 -3.500 526 H TYR 65 H TYR 65 -6.892 18.408 -3.281 527 HA TYR 65 HA TYR 65 -4.554 20.174 -3.139 528 HB2 TYR 65 1HB TYR 65 -5.863 18.291 -1.227 529 HB3 TYR 65 2HB TYR 65 -4.137 18.588 -1.059 530 HD1 TYR 65 HD2 TYR 65 -6.806 20.972 -2.078 531 HD2 TYR 65 HD1 TYR 65 -3.987 19.848 0.905 532 HE1 TYR 65 HE2 TYR 65 -7.288 23.047 -0.848 533 HE2 TYR 65 HE1 TYR 65 -4.463 21.920 2.143 534 HH TYR 65 HH TYR 65 -5.454 23.951 2.022 535 H VAL 66 H VAL 66 -5.515 17.327 -4.566 536 HA VAL 66 HA VAL 66 -2.722 16.418 -4.794 537 HB VAL 66 HB VAL 66 -3.418 14.117 -4.853 538 HG11 VAL 66 1HG1 VAL 66 -3.321 15.590 -2.620 539 HG12 VAL 66 2HG1 VAL 66 -4.977 14.994 -2.500 540 HG13 VAL 66 3HG1 VAL 66 -3.635 13.855 -2.614 541 HG21 VAL 66 3HG2 VAL 66 -5.456 13.572 -5.551 542 HG22 VAL 66 1HG2 VAL 66 -6.109 14.173 -4.027 543 HG23 VAL 66 2HG2 VAL 66 -5.984 15.249 -5.419 544 H LYS 67 H LYS 67 -2.633 14.748 -6.726 545 HA LYS 67 HA LYS 67 -4.382 15.375 -8.929 546 HB2 LYS 67 1HB LYS 67 -2.697 16.310 -10.391 547 HB3 LYS 67 2HB LYS 67 -2.807 17.290 -8.934 548 HG2 LYS 67 1HG LYS 67 -0.777 16.446 -8.091 549 HG3 LYS 67 2HG LYS 67 -0.743 15.135 -9.272 550 HD2 LYS 67 1HD LYS 67 -0.722 17.990 -10.176 551 HD3 LYS 67 2HD LYS 67 0.768 17.215 -9.632 552 HE2 LYS 67 1HE LYS 67 -0.980 15.897 -11.675 553 HE3 LYS 67 2HE LYS 67 0.151 17.163 -12.150 554 HZ1 LYS 67 3HZ LYS 67 1.836 15.727 -10.839 555 HZ2 LYS 67 1HZ LYS 67 1.399 15.267 -12.408 556 HZ3 LYS 67 2HZ LYS 67 0.714 14.483 -11.075 557 H LYS 68 H LYS 68 -3.893 14.095 -10.851 558 HA LYS 68 HA LYS 68 -3.381 11.427 -10.296 559 HB2 LYS 68 1HB LYS 68 -3.652 13.065 -12.740 560 HB3 LYS 68 2HB LYS 68 -2.794 11.543 -12.942 561 HG2 LYS 68 1HG LYS 68 -4.846 10.713 -13.282 562 HG3 LYS 68 2HG LYS 68 -4.938 10.719 -11.519 563 HD2 LYS 68 1HD LYS 68 -6.090 12.820 -11.523 564 HD3 LYS 68 2HD LYS 68 -5.832 13.015 -13.258 565 HE2 LYS 68 1HE LYS 68 -7.414 10.761 -12.034 566 HE3 LYS 68 2HE LYS 68 -8.133 12.265 -12.608 567 HZ1 LYS 68 3HZ LYS 68 -6.793 11.608 -14.762 568 HZ2 LYS 68 1HZ LYS 68 -8.345 11.003 -14.465 569 HZ3 LYS 68 2HZ LYS 68 -6.988 10.050 -14.132 570 H LEU 69 H LEU 69 -1.613 10.129 -10.332 571 HA LEU 69 HA LEU 69 0.985 11.472 -10.568 572 HB2 LEU 69 1HB LEU 69 0.515 10.351 -8.450 573 HB3 LEU 69 2HB LEU 69 0.253 8.833 -9.306 574 HG LEU 69 HG LEU 69 2.895 10.187 -9.571 575 HD11 LEU 69 1HD1 LEU 69 3.366 8.523 -7.502 576 HD12 LEU 69 2HD1 LEU 69 1.762 9.117 -7.076 577 HD13 LEU 69 3HD1 LEU 69 3.084 10.256 -7.331 578 HD21 LEU 69 3HD2 LEU 69 3.304 8.290 -10.646 579 HD22 LEU 69 1HD2 LEU 69 1.708 7.668 -10.228 580 HD23 LEU 69 2HD2 LEU 69 3.068 7.412 -9.134 581 H ASP 70 H ASP 70 -0.872 8.733 -11.757 582 HA ASP 70 HA ASP 70 1.204 7.541 -13.269 583 HB2 ASP 70 1HB ASP 70 -0.432 6.115 -14.136 584 HB3 ASP 70 2HB ASP 70 -1.090 6.564 -12.565 Start of MODEL 13 1 H1 MET 1 H MET 1 4.922 1.513 0.212 2 HA MET 1 HA MET 1 2.118 2.231 0.301 3 HB2 MET 1 1HB MET 1 4.624 3.916 0.183 4 HB3 MET 1 2HB MET 1 2.996 4.569 0.313 5 HG2 MET 1 1HG MET 1 2.694 3.495 2.453 6 HG3 MET 1 2HG MET 1 4.272 2.722 2.315 7 HE1 MET 1 3HE MET 1 2.210 5.083 3.605 8 HE2 MET 1 1HE MET 1 3.325 5.683 4.833 9 HE3 MET 1 2HE MET 1 2.888 6.706 3.465 10 H ASP 2 H ASP 2 4.849 2.744 -1.924 11 HA ASP 2 HA ASP 2 2.899 3.339 -4.049 12 HB2 ASP 2 1HB ASP 2 5.725 4.250 -3.589 13 HB3 ASP 2 2HB ASP 2 5.023 4.286 -5.204 14 H GLU 3 H GLU 3 2.996 0.757 -3.665 15 HA GLU 3 HA GLU 3 4.853 -0.281 -5.705 16 HB2 GLU 3 1HB GLU 3 4.762 -2.447 -4.551 17 HB3 GLU 3 2HB GLU 3 5.386 -1.181 -3.504 18 HG2 GLU 3 1HG GLU 3 3.412 -1.091 -2.246 19 HG3 GLU 3 2HG GLU 3 2.500 -1.988 -3.459 20 H THR 4 H THR 4 1.653 0.333 -4.931 21 HA THR 4 HA THR 4 0.194 -1.787 -5.914 22 HB THR 4 HB THR 4 -1.014 0.000 -4.938 23 HG1 THR 4 HG1 THR 4 -2.560 -0.365 -6.324 24 HG21 THR 4 3HG2 THR 4 -0.279 2.093 -5.143 25 HG22 THR 4 1HG2 THR 4 -0.916 2.120 -6.787 26 HG23 THR 4 2HG2 THR 4 0.756 1.638 -6.496 27 H GLY 5 H GLY 5 1.945 0.689 -7.689 28 HA2 GLY 5 1HA GLY 5 2.353 0.969 -9.935 29 HA3 GLY 5 2HA GLY 5 2.376 -0.788 -9.973 30 H LYS 6 H LYS 6 -0.442 1.134 -9.146 31 HA LYS 6 HA LYS 6 -1.665 0.356 -11.711 32 HB2 LYS 6 1HB LYS 6 -2.476 -0.315 -9.015 33 HB3 LYS 6 2HB LYS 6 -3.743 0.578 -9.846 34 HG2 LYS 6 1HG LYS 6 -4.327 -1.491 -10.522 35 HG3 LYS 6 2HG LYS 6 -3.123 -1.168 -11.771 36 HD2 LYS 6 1HD LYS 6 -1.959 -2.249 -9.330 37 HD3 LYS 6 2HD LYS 6 -3.150 -3.330 -10.058 38 HE2 LYS 6 1HE LYS 6 -1.277 -2.103 -11.956 39 HE3 LYS 6 2HE LYS 6 -0.530 -3.184 -10.780 40 HZ1 LYS 6 3HZ LYS 6 -2.234 -3.802 -13.012 41 HZ2 LYS 6 1HZ LYS 6 -2.702 -4.575 -11.581 42 HZ3 LYS 6 2HZ LYS 6 -1.136 -4.788 -12.184 43 H GLU 7 H GLU 7 -2.795 2.280 -8.943 44 HA GLU 7 HA GLU 7 -2.810 4.666 -10.646 45 HB2 GLU 7 1HB GLU 7 -5.097 5.200 -9.605 46 HB3 GLU 7 2HB GLU 7 -5.044 4.008 -10.897 47 HG2 GLU 7 1HG GLU 7 -5.021 2.226 -9.157 48 HG3 GLU 7 2HG GLU 7 -5.276 3.482 -7.946 49 H LEU 8 H LEU 8 -1.243 5.728 -9.531 50 HA LEU 8 HA LEU 8 -1.665 6.122 -6.644 51 HB2 LEU 8 1HB LEU 8 0.796 6.142 -8.355 52 HB3 LEU 8 2HB LEU 8 0.778 6.934 -6.780 53 HG LEU 8 HG LEU 8 0.117 4.020 -7.155 54 HD11 LEU 8 1HD1 LEU 8 2.394 4.470 -7.962 55 HD12 LEU 8 2HD1 LEU 8 2.387 3.514 -6.481 56 HD13 LEU 8 3HD1 LEU 8 2.778 5.232 -6.419 57 HD21 LEU 8 3HD2 LEU 8 -0.558 4.319 -5.043 58 HD22 LEU 8 1HD2 LEU 8 0.246 5.883 -4.908 59 HD23 LEU 8 2HD2 LEU 8 1.161 4.397 -4.654 60 H VAL 9 H VAL 9 -1.878 8.141 -5.818 61 HA VAL 9 HA VAL 9 -1.837 10.375 -7.742 62 HB VAL 9 HB VAL 9 -3.504 11.470 -6.204 63 HG11 VAL 9 1HG1 VAL 9 -4.574 8.893 -7.311 64 HG12 VAL 9 2HG1 VAL 9 -5.349 10.478 -7.253 65 HG13 VAL 9 3HG1 VAL 9 -4.006 10.192 -8.360 66 HG21 VAL 9 3HG2 VAL 9 -4.253 10.488 -4.339 67 HG22 VAL 9 1HG2 VAL 9 -4.435 8.924 -5.133 68 HG23 VAL 9 2HG2 VAL 9 -2.864 9.413 -4.498 69 H LEU 10 H LEU 10 -0.644 12.128 -7.268 70 HA LEU 10 HA LEU 10 0.865 12.088 -4.755 71 HB2 LEU 10 1HB LEU 10 2.214 12.160 -6.747 72 HB3 LEU 10 2HB LEU 10 1.319 13.554 -7.348 73 HG LEU 10 HG LEU 10 2.247 14.601 -5.068 74 HD11 LEU 10 1HD1 LEU 10 4.007 12.288 -5.703 75 HD12 LEU 10 2HD1 LEU 10 3.543 12.962 -4.141 76 HD13 LEU 10 3HD1 LEU 10 4.746 13.785 -5.134 77 HD21 LEU 10 3HD2 LEU 10 3.934 15.684 -6.380 78 HD22 LEU 10 1HD2 LEU 10 2.514 15.437 -7.397 79 HD23 LEU 10 2HD2 LEU 10 3.916 14.380 -7.568 80 H ALA 11 H ALA 11 0.716 13.671 -3.262 81 HA ALA 11 HA ALA 11 -1.459 15.563 -3.525 82 HB1 ALA 11 1HB ALA 11 -0.949 16.109 -1.169 83 HB2 ALA 11 2HB ALA 11 -1.231 14.388 -1.432 84 HB3 ALA 11 3HB ALA 11 0.414 14.991 -1.234 85 H LEU 12 H LEU 12 -1.258 17.612 -4.138 86 HA LEU 12 HA LEU 12 1.387 18.710 -4.602 87 HB2 LEU 12 1HB LEU 12 -1.353 19.827 -5.173 88 HB3 LEU 12 2HB LEU 12 0.168 20.569 -5.664 89 HG LEU 12 HG LEU 12 -1.000 17.973 -6.657 90 HD11 LEU 12 1HD1 LEU 12 -2.066 19.618 -7.853 91 HD12 LEU 12 2HD1 LEU 12 -0.640 19.340 -8.853 92 HD13 LEU 12 3HD1 LEU 12 -0.696 20.725 -7.763 93 HD21 LEU 12 3HD2 LEU 12 1.297 17.537 -6.569 94 HD22 LEU 12 1HD2 LEU 12 1.720 19.189 -7.022 95 HD23 LEU 12 2HD2 LEU 12 1.022 18.097 -8.219 96 H TYR 13 H TYR 13 -1.404 19.293 -2.539 97 HA TYR 13 HA TYR 13 0.135 21.371 -1.127 98 HB2 TYR 13 1HB TYR 13 -2.858 20.959 -1.272 99 HB3 TYR 13 2HB TYR 13 -2.061 22.179 -0.286 100 HD1 TYR 13 HD2 TYR 13 -2.717 21.105 -3.762 101 HD2 TYR 13 HD1 TYR 13 -1.316 24.226 -1.232 102 HE1 TYR 13 HE2 TYR 13 -2.754 22.659 -5.668 103 HE2 TYR 13 HE1 TYR 13 -1.350 25.789 -3.131 104 HH TYR 13 HH TYR 13 -1.325 25.787 -5.518 105 H ASP 14 H ASP 14 -0.909 21.539 1.255 106 HA ASP 14 HA ASP 14 -0.437 18.896 2.430 107 HB2 ASP 14 1HB ASP 14 -0.171 20.218 4.568 108 HB3 ASP 14 2HB ASP 14 1.026 20.557 3.320 109 H TYR 15 H TYR 15 -1.913 17.855 3.670 110 HA TYR 15 HA TYR 15 -4.456 19.222 4.226 111 HB2 TYR 15 1HB TYR 15 -4.632 17.751 2.199 112 HB3 TYR 15 2HB TYR 15 -4.249 16.376 3.229 113 HD1 TYR 15 HD1 TYR 15 -6.694 19.167 2.880 114 HD2 TYR 15 HD2 TYR 15 -5.962 15.225 4.305 115 HE1 TYR 15 HE1 TYR 15 -9.077 18.935 3.445 116 HE2 TYR 15 HE2 TYR 15 -8.342 14.982 4.873 117 HH TYR 15 HH TYR 15 -10.355 15.915 4.810 118 H GLN 16 H GLN 16 -5.485 18.644 6.115 119 HA GLN 16 HA GLN 16 -3.935 16.897 7.910 120 HB2 GLN 16 1HB GLN 16 -4.831 18.204 9.768 121 HB3 GLN 16 2HB GLN 16 -3.992 19.243 8.624 122 HG2 GLN 16 1HG GLN 16 -6.950 18.875 8.439 123 HG3 GLN 16 2HG GLN 16 -6.257 19.996 9.609 124 HE21 GLN 16 2HE2 GLN 16 -7.248 19.552 6.427 125 HE22 GLN 16 1HE2 GLN 16 -6.624 21.019 5.760 126 H GLU 17 H GLU 17 -4.989 15.375 9.161 127 HA GLU 17 HA GLU 17 -7.609 14.581 8.167 128 HB2 GLU 17 1HB GLU 17 -7.204 12.464 9.205 129 HB3 GLU 17 2HB GLU 17 -5.727 12.941 8.379 130 HG2 GLU 17 1HG GLU 17 -4.843 12.239 10.343 131 HG3 GLU 17 2HG GLU 17 -5.135 13.928 10.752 132 H LYS 18 H LYS 18 -9.459 14.731 9.281 133 HA LYS 18 HA LYS 18 -9.320 15.859 11.991 134 HB2 LYS 18 1HB LYS 18 -10.533 17.201 10.326 135 HB3 LYS 18 2HB LYS 18 -11.608 15.845 10.013 136 HG2 LYS 18 1HG LYS 18 -11.930 16.085 12.671 137 HG3 LYS 18 2HG LYS 18 -11.572 17.761 12.247 138 HD2 LYS 18 1HD LYS 18 -13.496 18.013 11.059 139 HD3 LYS 18 2HD LYS 18 -13.519 16.328 10.535 140 HE2 LYS 18 1HE LYS 18 -14.546 15.603 12.468 141 HE3 LYS 18 2HE LYS 18 -13.968 16.973 13.414 142 HZ1 LYS 18 3HZ LYS 18 -16.092 17.055 11.340 143 HZ2 LYS 18 1HZ LYS 18 -15.513 18.397 12.192 144 HZ3 LYS 18 2HZ LYS 18 -16.325 17.161 13.012 145 H SER 19 H SER 19 -10.661 13.238 10.087 146 HA SER 19 HA SER 19 -11.751 12.047 12.550 147 HB2 SER 19 1HB SER 19 -12.580 10.784 10.049 148 HB3 SER 19 2HB SER 19 -13.561 11.369 11.393 149 HG SER 19 HG SER 19 -14.091 12.703 9.772 150 HA PRO 20 HA PRO 20 -8.945 8.681 12.364 151 HB2 PRO 20 1HB PRO 20 -10.509 6.571 13.051 152 HB3 PRO 20 2HB PRO 20 -10.009 7.813 14.205 153 HG2 PRO 20 1HG PRO 20 -12.601 7.526 12.735 154 HG3 PRO 20 2HG PRO 20 -12.319 7.953 14.433 155 HD2 PRO 20 1HD PRO 20 -12.883 9.805 12.539 156 HD3 PRO 20 2HD PRO 20 -11.836 10.150 13.931 157 H ARG 21 H ARG 21 -11.632 8.788 10.262 158 HA ARG 21 HA ARG 21 -10.898 6.376 8.813 159 HB2 ARG 21 1HB ARG 21 -12.850 6.768 7.475 160 HB3 ARG 21 2HB ARG 21 -13.286 7.028 9.159 161 HG2 ARG 21 1HG ARG 21 -12.637 9.535 8.488 162 HG3 ARG 21 2HG ARG 21 -13.162 8.936 6.914 163 HD2 ARG 21 1HD ARG 21 -15.319 8.500 7.660 164 HD3 ARG 21 2HD ARG 21 -14.829 8.464 9.354 165 HE ARG 21 HE ARG 21 -14.365 11.036 8.376 166 HH11 ARG 21 1HH1 ARG 21 -17.043 8.909 9.028 167 HH12 ARG 21 2HH1 ARG 21 -18.155 10.196 9.358 168 HH21 ARG 21 1HH2 ARG 21 -15.820 12.740 8.807 169 HH22 ARG 21 2HH2 ARG 21 -17.458 12.375 9.231 170 H GLU 22 H GLU 22 -10.432 9.804 8.648 171 HA GLU 22 HA GLU 22 -9.567 9.762 5.882 172 HB2 GLU 22 1HB GLU 22 -10.050 11.835 7.943 173 HB3 GLU 22 2HB GLU 22 -8.816 12.202 6.746 174 HG2 GLU 22 1HG GLU 22 -10.697 13.086 5.775 175 HG3 GLU 22 2HG GLU 22 -10.626 11.488 5.033 176 H VAL 23 H VAL 23 -7.444 10.335 5.193 177 HA VAL 23 HA VAL 23 -5.367 9.592 7.146 178 HB VAL 23 HB VAL 23 -3.983 8.923 5.226 179 HG11 VAL 23 1HG1 VAL 23 -5.157 7.151 6.228 180 HG12 VAL 23 2HG1 VAL 23 -6.693 7.661 5.526 181 HG13 VAL 23 3HG1 VAL 23 -5.439 6.967 4.497 182 HG21 VAL 23 3HG2 VAL 23 -4.484 9.879 3.266 183 HG22 VAL 23 1HG2 VAL 23 -5.712 8.621 3.115 184 HG23 VAL 23 2HG2 VAL 23 -6.148 10.208 3.751 185 H THR 24 H THR 24 -3.463 10.780 7.258 186 HA THR 24 HA THR 24 -3.717 13.548 6.436 187 HB THR 24 HB THR 24 -1.467 12.248 7.982 188 HG1 THR 24 HG1 THR 24 -2.699 13.372 9.760 189 HG21 THR 24 3HG2 THR 24 -1.065 14.494 6.882 190 HG22 THR 24 1HG2 THR 24 -0.836 14.442 8.630 191 HG23 THR 24 2HG2 THR 24 -2.307 15.141 7.954 192 H MET 25 H MET 25 -2.835 14.381 4.665 193 HA MET 25 HA MET 25 -0.504 13.033 3.478 194 HB2 MET 25 1HB MET 25 -1.414 13.586 1.237 195 HB3 MET 25 2HB MET 25 -2.420 12.451 2.126 196 HG2 MET 25 1HG MET 25 -4.001 14.166 2.653 197 HG3 MET 25 2HG MET 25 -2.948 15.407 1.977 198 HE1 MET 25 3HE MET 25 -5.212 16.121 0.954 199 HE2 MET 25 1HE MET 25 -4.018 16.469 -0.297 200 HE3 MET 25 2HE MET 25 -5.550 15.710 -0.728 201 H LYS 26 H LYS 26 1.037 14.349 2.521 202 HA LYS 26 HA LYS 26 0.633 17.251 2.797 203 HB2 LYS 26 1HB LYS 26 3.176 15.763 3.475 204 HB3 LYS 26 2HB LYS 26 2.924 17.499 3.595 205 HG2 LYS 26 1HG LYS 26 1.306 15.506 5.157 206 HG3 LYS 26 2HG LYS 26 2.814 16.206 5.752 207 HD2 LYS 26 1HD LYS 26 1.855 18.447 5.547 208 HD3 LYS 26 2HD LYS 26 0.351 17.752 4.938 209 HE2 LYS 26 1HE LYS 26 0.113 18.276 7.284 210 HE3 LYS 26 2HE LYS 26 0.092 16.527 7.063 211 HZ1 LYS 26 3HZ LYS 26 1.751 16.383 8.500 212 HZ2 LYS 26 1HZ LYS 26 1.815 18.067 8.660 213 HZ3 LYS 26 2HZ LYS 26 2.740 17.294 7.473 214 H LYS 27 H LYS 27 2.003 18.559 1.418 215 HA LYS 27 HA LYS 27 2.005 17.817 -1.234 216 HB2 LYS 27 1HB LYS 27 3.771 19.659 -1.492 217 HB3 LYS 27 2HB LYS 27 2.221 20.112 -0.794 218 HG2 LYS 27 1HG LYS 27 4.160 19.288 1.210 219 HG3 LYS 27 2HG LYS 27 4.697 20.671 0.254 220 HD2 LYS 27 1HD LYS 27 1.997 20.498 1.585 221 HD3 LYS 27 2HD LYS 27 3.410 21.256 2.325 222 HE2 LYS 27 1HE LYS 27 2.247 22.056 -0.339 223 HE3 LYS 27 2HE LYS 27 1.867 22.851 1.188 224 HZ1 LYS 27 3HZ LYS 27 4.395 22.847 -0.319 225 HZ2 LYS 27 1HZ LYS 27 4.418 23.097 1.355 226 HZ3 LYS 27 2HZ LYS 27 3.553 24.151 0.354 227 H GLY 28 H GLY 28 2.952 16.019 -1.989 228 HA2 GLY 28 1HA GLY 28 5.212 15.412 -2.914 229 HA3 GLY 28 2HA GLY 28 5.775 15.549 -1.254 230 H ASP 29 H ASP 29 3.150 14.340 -0.352 231 HA ASP 29 HA ASP 29 4.064 11.638 -0.276 232 HB2 ASP 29 1HB ASP 29 2.616 13.013 1.442 233 HB3 ASP 29 2HB ASP 29 1.271 12.391 0.489 234 H ILE 30 H ILE 30 2.677 9.777 -0.878 235 HA ILE 30 HA ILE 30 0.950 10.276 -3.190 236 HB ILE 30 HB ILE 30 3.182 8.242 -3.228 237 HG12 ILE 30 1HG1 ILE 30 2.918 10.780 -4.850 238 HG13 ILE 30 2HG1 ILE 30 3.932 10.628 -3.420 239 HG21 ILE 30 1HG2 ILE 30 1.869 7.254 -4.739 240 HG22 ILE 30 2HG2 ILE 30 0.794 8.647 -4.840 241 HG23 ILE 30 3HG2 ILE 30 2.273 8.604 -5.799 242 HD11 ILE 30 3HD1 ILE 30 4.870 10.305 -5.872 243 HD12 ILE 30 1HD1 ILE 30 5.499 9.399 -4.497 244 HD13 ILE 30 2HD1 ILE 30 4.329 8.652 -5.585 245 H LEU 31 H LEU 31 -0.820 9.029 -3.213 246 HA LEU 31 HA LEU 31 -0.872 6.672 -1.446 247 HB2 LEU 31 1HB LEU 31 -3.146 8.568 -2.010 248 HB3 LEU 31 2HB LEU 31 -3.206 7.152 -0.963 249 HG LEU 31 HG LEU 31 -3.046 8.914 0.534 250 HD11 LEU 31 1HD1 LEU 31 -1.183 8.393 1.705 251 HD12 LEU 31 2HD1 LEU 31 -0.116 8.594 0.315 252 HD13 LEU 31 3HD1 LEU 31 -1.066 7.118 0.491 253 HD21 LEU 31 3HD2 LEU 31 -0.779 10.225 -0.910 254 HD22 LEU 31 1HD2 LEU 31 -1.932 10.918 0.230 255 HD23 LEU 31 2HD2 LEU 31 -2.444 10.521 -1.411 256 H THR 32 H THR 32 -2.740 5.171 -2.025 257 HA THR 32 HA THR 32 -2.665 4.740 -4.920 258 HB THR 32 HB THR 32 -3.602 2.850 -2.753 259 HG1 THR 32 HG1 THR 32 -1.567 1.913 -2.962 260 HG21 THR 32 3HG2 THR 32 -2.684 1.634 -5.196 261 HG22 THR 32 1HG2 THR 32 -3.979 2.782 -5.531 262 HG23 THR 32 2HG2 THR 32 -4.239 1.469 -4.383 263 H LEU 33 H LEU 33 -4.295 5.647 -5.996 264 HA LEU 33 HA LEU 33 -6.742 6.454 -4.924 265 HB2 LEU 33 1HB LEU 33 -5.505 6.897 -7.242 266 HB3 LEU 33 2HB LEU 33 -6.644 5.663 -7.781 267 HG LEU 33 HG LEU 33 -7.591 7.800 -8.249 268 HD11 LEU 33 1HD1 LEU 33 -9.189 6.174 -7.498 269 HD12 LEU 33 2HD1 LEU 33 -9.633 7.749 -6.843 270 HD13 LEU 33 3HD1 LEU 33 -8.849 6.555 -5.810 271 HD21 LEU 33 3HD2 LEU 33 -6.254 8.586 -5.886 272 HD22 LEU 33 1HD2 LEU 33 -7.973 8.905 -5.652 273 HD23 LEU 33 2HD2 LEU 33 -7.129 9.598 -7.037 274 H LEU 34 H LEU 34 -8.260 5.208 -4.066 275 HA LEU 34 HA LEU 34 -8.672 2.507 -5.134 276 HB2 LEU 34 1HB LEU 34 -8.424 3.391 -2.557 277 HB3 LEU 34 2HB LEU 34 -10.173 3.285 -2.745 278 HG LEU 34 HG LEU 34 -9.976 0.925 -3.336 279 HD11 LEU 34 1HD1 LEU 34 -7.653 -0.099 -2.830 280 HD12 LEU 34 2HD1 LEU 34 -7.052 1.525 -3.162 281 HD13 LEU 34 3HD1 LEU 34 -7.944 0.644 -4.402 282 HD21 LEU 34 3HD2 LEU 34 -8.644 0.354 -1.039 283 HD22 LEU 34 1HD2 LEU 34 -10.331 0.860 -1.120 284 HD23 LEU 34 2HD2 LEU 34 -9.071 2.046 -0.779 285 H ASN 35 H ASN 35 -10.362 5.514 -4.396 286 HA ASN 35 HA ASN 35 -12.473 4.725 -6.257 287 HB2 ASN 35 1HB ASN 35 -12.941 4.427 -3.606 288 HB3 ASN 35 2HB ASN 35 -13.439 6.102 -3.823 289 HD21 ASN 35 2HD2 ASN 35 -15.013 6.529 -5.530 290 HD22 ASN 35 1HD2 ASN 35 -16.217 5.335 -5.865 291 H SER 36 H SER 36 -12.581 6.274 -7.729 292 HA SER 36 HA SER 36 -12.159 9.063 -6.872 293 HB2 SER 36 1HB SER 36 -11.593 9.132 -9.538 294 HB3 SER 36 2HB SER 36 -10.379 8.949 -8.272 295 HG SER 36 HG SER 36 -10.520 7.345 -10.127 296 H THR 37 H THR 37 -14.624 7.355 -7.195 297 HA THR 37 HA THR 37 -16.119 7.983 -9.425 298 HB THR 37 HB THR 37 -16.873 6.434 -7.651 299 HG1 THR 37 HG1 THR 37 -18.903 6.795 -8.222 300 HG21 THR 37 3HG2 THR 37 -17.747 7.173 -5.588 301 HG22 THR 37 1HG2 THR 37 -17.747 8.860 -6.099 302 HG23 THR 37 2HG2 THR 37 -16.221 8.037 -5.778 303 H ASN 38 H ASN 38 -15.335 9.986 -6.667 304 HA ASN 38 HA ASN 38 -17.094 12.115 -7.641 305 HB2 ASN 38 1HB ASN 38 -16.077 11.326 -5.042 306 HB3 ASN 38 2HB ASN 38 -15.765 13.030 -5.357 307 HD21 ASN 38 2HD2 ASN 38 -17.406 14.454 -5.280 308 HD22 ASN 38 1HD2 ASN 38 -19.045 14.035 -4.933 309 H LYS 39 H LYS 39 -15.966 14.396 -7.094 310 HA LYS 39 HA LYS 39 -13.359 14.366 -8.470 311 HB2 LYS 39 1HB LYS 39 -15.462 16.530 -8.636 312 HB3 LYS 39 2HB LYS 39 -13.945 16.471 -9.524 313 HG2 LYS 39 1HG LYS 39 -15.093 15.533 -11.174 314 HG3 LYS 39 2HG LYS 39 -15.171 14.083 -10.171 315 HD2 LYS 39 1HD LYS 39 -17.400 14.431 -10.653 316 HD3 LYS 39 2HD LYS 39 -17.239 15.274 -9.111 317 HE2 LYS 39 1HE LYS 39 -16.816 16.743 -11.681 318 HE3 LYS 39 2HE LYS 39 -18.451 16.433 -11.100 319 HZ1 LYS 39 3HZ LYS 39 -16.483 18.297 -10.132 320 HZ2 LYS 39 1HZ LYS 39 -17.214 17.392 -8.903 321 HZ3 LYS 39 2HZ LYS 39 -18.165 18.312 -9.956 322 H ASP 40 H ASP 40 -15.326 15.748 -5.933 323 HA ASP 40 HA ASP 40 -13.242 17.577 -5.087 324 HB2 ASP 40 1HB ASP 40 -15.833 16.896 -3.685 325 HB3 ASP 40 2HB ASP 40 -14.799 18.289 -3.381 326 H TRP 41 H TRP 41 -14.924 14.769 -3.677 327 HA TRP 41 HA TRP 41 -12.694 14.464 -1.789 328 HB2 TRP 41 1HB TRP 41 -15.531 13.434 -1.754 329 HB3 TRP 41 2HB TRP 41 -14.298 12.863 -0.633 330 HD1 TRP 41 HD1 TRP 41 -16.862 15.496 -1.005 331 HE1 TRP 41 HE1 TRP 41 -16.607 17.273 0.840 332 HE3 TRP 41 HE3 TRP 41 -12.246 14.181 0.757 333 HZ2 TRP 41 HZ2 TRP 41 -14.702 18.018 2.784 334 HZ3 TRP 41 HZ3 TRP 41 -11.279 15.477 2.611 335 HH2 TRP 41 HH2 TRP 41 -12.482 17.356 3.602 336 H TRP 42 H TRP 42 -11.158 13.134 -2.488 337 HA TRP 42 HA TRP 42 -11.913 10.823 -4.134 338 HB2 TRP 42 1HB TRP 42 -9.457 12.490 -3.896 339 HB3 TRP 42 2HB TRP 42 -9.251 10.792 -4.314 340 HD1 TRP 42 HD1 TRP 42 -12.425 12.043 -5.739 341 HE1 TRP 42 HE1 TRP 42 -12.149 12.548 -8.247 342 HE3 TRP 42 HE3 TRP 42 -7.325 11.850 -6.051 343 HZ2 TRP 42 HZ2 TRP 42 -10.049 12.827 -10.112 344 HZ3 TRP 42 HZ3 TRP 42 -6.262 12.247 -8.234 345 HH2 TRP 42 HH2 TRP 42 -7.597 12.725 -10.221 346 H LYS 43 H LYS 43 -11.568 8.768 -3.479 347 HA LYS 43 HA LYS 43 -10.623 8.403 -0.727 348 HB2 LYS 43 1HB LYS 43 -11.978 6.302 -2.399 349 HB3 LYS 43 2HB LYS 43 -11.879 6.411 -0.646 350 HG2 LYS 43 1HG LYS 43 -13.235 8.616 -1.002 351 HG3 LYS 43 2HG LYS 43 -13.662 7.862 -2.540 352 HD2 LYS 43 1HD LYS 43 -13.904 6.248 -0.049 353 HD3 LYS 43 2HD LYS 43 -15.119 7.487 -0.370 354 HE2 LYS 43 1HE LYS 43 -15.300 6.426 -2.698 355 HE3 LYS 43 2HE LYS 43 -14.429 5.061 -1.999 356 HZ1 LYS 43 3HZ LYS 43 -16.316 4.330 -1.140 357 HZ2 LYS 43 1HZ LYS 43 -17.157 5.621 -1.840 358 HZ3 LYS 43 2HZ LYS 43 -16.527 5.770 -0.278 359 H VAL 44 H VAL 44 -8.565 7.845 -0.505 360 HA VAL 44 HA VAL 44 -7.361 6.075 -2.534 361 HB VAL 44 HB VAL 44 -5.154 7.060 -1.615 362 HG11 VAL 44 1HG1 VAL 44 -7.099 8.320 -3.481 363 HG12 VAL 44 2HG1 VAL 44 -5.617 9.194 -3.091 364 HG13 VAL 44 3HG1 VAL 44 -5.530 7.586 -3.810 365 HG21 VAL 44 3HG2 VAL 44 -6.120 8.212 0.306 366 HG22 VAL 44 1HG2 VAL 44 -5.333 9.356 -0.781 367 HG23 VAL 44 2HG2 VAL 44 -7.091 9.215 -0.772 368 H GLU 45 H GLU 45 -5.265 5.025 -1.497 369 HA GLU 45 HA GLU 45 -6.012 3.954 1.143 370 HB2 GLU 45 1HB GLU 45 -6.335 2.440 -0.957 371 HB3 GLU 45 2HB GLU 45 -4.586 2.279 -0.894 372 HG2 GLU 45 1HG GLU 45 -4.721 1.380 1.352 373 HG3 GLU 45 2HG GLU 45 -6.470 1.601 1.353 374 H VAL 46 H VAL 46 -4.405 3.726 2.623 375 HA VAL 46 HA VAL 46 -1.673 4.420 1.759 376 HB VAL 46 HB VAL 46 -1.307 5.625 3.815 377 HG11 VAL 46 1HG1 VAL 46 -2.752 6.551 1.751 378 HG12 VAL 46 2HG1 VAL 46 -3.908 6.802 3.061 379 HG13 VAL 46 3HG1 VAL 46 -2.307 7.538 3.142 380 HG21 VAL 46 3HG2 VAL 46 -3.108 5.999 5.437 381 HG22 VAL 46 1HG2 VAL 46 -4.158 4.925 4.513 382 HG23 VAL 46 2HG2 VAL 46 -2.710 4.287 5.292 383 H LYS 47 H LYS 47 0.013 3.707 3.337 384 HA LYS 47 HA LYS 47 -0.706 1.072 4.438 385 HB2 LYS 47 1HB LYS 47 0.982 1.260 2.510 386 HB3 LYS 47 2HB LYS 47 2.081 1.943 3.702 387 HG2 LYS 47 1HG LYS 47 2.658 -0.295 3.673 388 HG3 LYS 47 2HG LYS 47 1.579 -0.183 5.065 389 HD2 LYS 47 1HD LYS 47 0.579 -1.958 4.091 390 HD3 LYS 47 2HD LYS 47 -0.208 -0.715 3.115 391 HE2 LYS 47 1HE LYS 47 0.565 -2.032 1.433 392 HE3 LYS 47 2HE LYS 47 1.996 -1.026 1.658 393 HZ1 LYS 47 3HZ LYS 47 3.117 -2.709 2.733 394 HZ2 LYS 47 1HZ LYS 47 2.246 -3.576 1.571 395 HZ3 LYS 47 2HZ LYS 47 1.707 -3.534 3.173 396 H ILE 48 H ILE 48 -0.430 0.696 6.549 397 HA ILE 48 HA ILE 48 1.113 2.662 8.113 398 HB ILE 48 HB ILE 48 -1.398 1.234 8.996 399 HG12 ILE 48 1HG1 ILE 48 -1.015 4.191 8.525 400 HG13 ILE 48 2HG1 ILE 48 -1.653 3.106 7.294 401 HG21 ILE 48 1HG2 ILE 48 0.056 1.559 10.867 402 HG22 ILE 48 2HG2 ILE 48 0.379 3.225 10.391 403 HG23 ILE 48 3HG2 ILE 48 -1.226 2.766 10.957 404 HD11 ILE 48 3HD1 ILE 48 -3.289 4.444 8.755 405 HD12 ILE 48 1HD1 ILE 48 -3.615 2.736 8.461 406 HD13 ILE 48 2HD1 ILE 48 -2.916 3.250 9.997 407 H THR 49 H THR 49 2.769 1.823 9.182 408 HA THR 49 HA THR 49 3.026 -1.063 9.411 409 HB THR 49 HB THR 49 4.994 1.092 10.205 410 HG1 THR 49 HG1 THR 49 4.857 1.227 8.027 411 HG21 THR 49 3HG2 THR 49 5.742 -0.777 11.330 412 HG22 THR 49 1HG2 THR 49 6.557 -0.972 9.779 413 HG23 THR 49 2HG2 THR 49 5.093 -1.892 10.128 414 H VAL 50 H VAL 50 1.967 -1.937 11.085 415 HA VAL 50 HA VAL 50 2.192 -0.622 13.713 416 HB VAL 50 HB VAL 50 0.083 -2.561 12.753 417 HG11 VAL 50 1HG1 VAL 50 0.847 -1.607 15.412 418 HG12 VAL 50 2HG1 VAL 50 -0.868 -1.420 15.042 419 HG13 VAL 50 3HG1 VAL 50 -0.110 -3.010 14.941 420 HG21 VAL 50 3HG2 VAL 50 0.241 0.393 12.887 421 HG22 VAL 50 1HG2 VAL 50 -0.626 -0.648 11.758 422 HG23 VAL 50 2HG2 VAL 50 -1.284 -0.352 13.367 423 H ASN 51 H ASN 51 3.823 -1.529 14.801 424 HA ASN 51 HA ASN 51 5.120 -3.080 15.840 425 HB2 ASN 51 1HB ASN 51 2.701 -3.830 16.484 426 HB3 ASN 51 2HB ASN 51 3.014 -5.169 15.383 427 HD21 ASN 51 2HD2 ASN 51 2.523 -5.909 17.830 428 HD22 ASN 51 1HD2 ASN 51 3.954 -6.362 18.685 429 H GLY 52 H GLY 52 5.281 -2.754 12.951 430 HA2 GLY 52 1HA GLY 52 6.838 -3.709 11.474 431 HA3 GLY 52 2HA GLY 52 6.748 -5.210 12.385 432 H LYS 53 H LYS 53 3.650 -4.587 12.112 433 HA LYS 53 HA LYS 53 3.387 -6.173 9.668 434 HB2 LYS 53 1HB LYS 53 1.695 -5.726 12.083 435 HB3 LYS 53 2HB LYS 53 0.893 -6.151 10.577 436 HG2 LYS 53 1HG LYS 53 1.246 -8.169 11.743 437 HG3 LYS 53 2HG LYS 53 2.438 -8.133 10.442 438 HD2 LYS 53 1HD LYS 53 4.166 -7.456 11.978 439 HD3 LYS 53 2HD LYS 53 2.992 -7.295 13.287 440 HE2 LYS 53 1HE LYS 53 2.491 -9.773 12.891 441 HE3 LYS 53 2HE LYS 53 3.979 -9.795 11.945 442 HZ1 LYS 53 3HZ LYS 53 5.221 -9.754 13.780 443 HZ2 LYS 53 1HZ LYS 53 3.815 -10.185 14.617 444 HZ3 LYS 53 2HZ LYS 53 4.279 -8.561 14.523 445 H THR 54 H THR 54 2.952 -5.177 7.825 446 HA THR 54 HA THR 54 2.075 -2.445 7.753 447 HB THR 54 HB THR 54 1.863 -3.245 5.168 448 HG1 THR 54 HG1 THR 54 2.617 -5.231 5.099 449 HG21 THR 54 3HG2 THR 54 3.632 -1.885 4.894 450 HG22 THR 54 1HG2 THR 54 4.653 -2.842 5.967 451 HG23 THR 54 2HG2 THR 54 3.535 -1.654 6.639 452 H TYR 55 H TYR 55 0.064 -1.693 7.571 453 HA TYR 55 HA TYR 55 -2.067 -3.584 6.813 454 HB2 TYR 55 1HB TYR 55 -2.077 -1.443 8.940 455 HB3 TYR 55 2HB TYR 55 -3.551 -2.184 8.327 456 HD1 TYR 55 HD1 TYR 55 -4.041 -4.544 8.790 457 HD2 TYR 55 HD2 TYR 55 -0.596 -2.644 10.410 458 HE1 TYR 55 HE1 TYR 55 -3.789 -6.387 10.400 459 HE2 TYR 55 HE2 TYR 55 -0.333 -4.482 12.022 460 HH TYR 55 HH TYR 55 -2.079 -6.251 13.096 461 H GLU 56 H GLU 56 -3.850 -2.729 5.664 462 HA GLU 56 HA GLU 56 -3.254 -0.193 4.291 463 HB2 GLU 56 1HB GLU 56 -4.518 -2.745 3.352 464 HB3 GLU 56 2HB GLU 56 -4.887 -1.230 2.540 465 HG2 GLU 56 1HG GLU 56 -2.803 -1.030 1.654 466 HG3 GLU 56 2HG GLU 56 -2.033 -1.900 2.980 467 H ARG 57 H ARG 57 -4.803 1.367 4.134 468 HA ARG 57 HA ARG 57 -7.510 0.818 5.050 469 HB2 ARG 57 1HB ARG 57 -7.503 2.620 6.692 470 HB3 ARG 57 2HB ARG 57 -6.296 1.409 7.103 471 HG2 ARG 57 1HG ARG 57 -4.539 2.806 6.662 472 HG3 ARG 57 2HG ARG 57 -5.455 3.769 5.501 473 HD2 ARG 57 1HD ARG 57 -4.944 4.941 7.647 474 HD3 ARG 57 2HD ARG 57 -6.660 4.861 7.248 475 HE ARG 57 HE ARG 57 -5.978 2.675 8.882 476 HH11 ARG 57 1HH1 ARG 57 -6.370 6.132 9.027 477 HH12 ARG 57 2HH1 ARG 57 -6.806 6.143 10.704 478 HH21 ARG 57 1HH2 ARG 57 -6.551 2.677 11.090 479 HH22 ARG 57 2HH2 ARG 57 -6.908 4.177 11.876 480 H GLN 58 H GLN 58 -9.014 2.510 4.530 481 HA GLN 58 HA GLN 58 -8.176 4.008 2.171 482 HB2 GLN 58 1HB GLN 58 -10.925 3.496 3.318 483 HB3 GLN 58 2HB GLN 58 -10.603 4.368 1.825 484 HG2 GLN 58 1HG GLN 58 -9.329 2.160 1.193 485 HG3 GLN 58 2HG GLN 58 -10.397 1.462 2.410 486 HE21 GLN 58 2HE2 GLN 58 -10.635 3.782 -0.271 487 HE22 GLN 58 1HE2 GLN 58 -12.078 3.113 -0.944 488 H GLY 59 H GLY 59 -8.259 6.212 1.988 489 HA2 GLY 59 1HA GLY 59 -9.132 7.729 4.358 490 HA3 GLY 59 2HA GLY 59 -7.541 8.015 3.667 491 H PHE 60 H PHE 60 -10.286 9.501 3.927 492 HA PHE 60 HA PHE 60 -10.747 10.187 1.137 493 HB2 PHE 60 1HB PHE 60 -12.089 11.440 3.528 494 HB3 PHE 60 2HB PHE 60 -12.682 11.344 1.873 495 HD1 PHE 60 HD2 PHE 60 -12.120 9.462 4.977 496 HD2 PHE 60 HD1 PHE 60 -13.807 9.402 1.070 497 HE1 PHE 60 HE2 PHE 60 -13.349 7.407 5.543 498 HE2 PHE 60 HE1 PHE 60 -15.039 7.347 1.630 499 HZ PHE 60 HZ PHE 60 -14.810 6.346 3.869 500 H VAL 61 H VAL 61 -9.911 11.907 0.149 501 HA VAL 61 HA VAL 61 -9.013 14.202 1.714 502 HB VAL 61 HB VAL 61 -6.864 14.267 0.396 503 HG11 VAL 61 1HG1 VAL 61 -5.740 12.562 1.840 504 HG12 VAL 61 2HG1 VAL 61 -6.795 13.677 2.710 505 HG13 VAL 61 3HG1 VAL 61 -7.339 12.035 2.364 506 HG21 VAL 61 3HG2 VAL 61 -6.254 12.635 -1.023 507 HG22 VAL 61 1HG2 VAL 61 -6.895 11.360 0.014 508 HG23 VAL 61 2HG2 VAL 61 -7.975 12.251 -1.060 509 HA PRO 62 HA PRO 62 -10.584 16.531 -1.661 510 HB2 PRO 62 1HB PRO 62 -8.987 18.725 -1.572 511 HB3 PRO 62 2HB PRO 62 -10.243 18.402 -0.371 512 HG2 PRO 62 1HG PRO 62 -7.294 17.912 -0.206 513 HG3 PRO 62 2HG PRO 62 -8.388 18.578 1.021 514 HD2 PRO 62 1HD PRO 62 -7.559 16.001 1.054 515 HD3 PRO 62 2HD PRO 62 -9.157 16.498 1.646 516 H ALA 63 H ALA 63 -10.281 15.834 -3.686 517 HA ALA 63 HA ALA 63 -7.816 15.125 -4.827 518 HB1 ALA 63 1HB ALA 63 -10.232 14.514 -5.536 519 HB2 ALA 63 2HB ALA 63 -10.137 15.984 -6.506 520 HB3 ALA 63 3HB ALA 63 -8.985 14.676 -6.773 521 H ALA 64 H ALA 64 -9.472 18.174 -4.602 522 HA ALA 64 HA ALA 64 -8.154 19.540 -6.690 523 HB1 ALA 64 1HB ALA 64 -10.154 20.464 -5.770 524 HB2 ALA 64 2HB ALA 64 -9.437 20.553 -4.161 525 HB3 ALA 64 3HB ALA 64 -8.840 21.596 -5.451 526 H TYR 65 H TYR 65 -7.017 18.383 -3.719 527 HA TYR 65 HA TYR 65 -4.801 20.308 -3.660 528 HB2 TYR 65 1HB TYR 65 -6.055 18.526 -1.616 529 HB3 TYR 65 2HB TYR 65 -4.359 18.955 -1.430 530 HD1 TYR 65 HD2 TYR 65 -7.108 21.070 -2.765 531 HD2 TYR 65 HD1 TYR 65 -4.392 20.375 0.436 532 HE1 TYR 65 HE2 TYR 65 -7.766 23.211 -1.749 533 HE2 TYR 65 HE1 TYR 65 -5.043 22.513 1.461 534 HH TYR 65 HH TYR 65 -7.415 24.024 1.216 535 H VAL 66 H VAL 66 -5.536 17.344 -4.917 536 HA VAL 66 HA VAL 66 -2.697 16.575 -4.977 537 HB VAL 66 HB VAL 66 -3.223 14.246 -4.794 538 HG11 VAL 66 1HG1 VAL 66 -4.935 15.309 -2.613 539 HG12 VAL 66 2HG1 VAL 66 -3.588 14.171 -2.544 540 HG13 VAL 66 3HG1 VAL 66 -3.277 15.898 -2.725 541 HG21 VAL 66 3HG2 VAL 66 -5.177 13.557 -5.621 542 HG22 VAL 66 1HG2 VAL 66 -5.887 14.038 -4.080 543 HG23 VAL 66 2HG2 VAL 66 -5.901 15.156 -5.445 544 H LYS 67 H LYS 67 -2.499 14.699 -6.726 545 HA LYS 67 HA LYS 67 -4.223 15.085 -9.017 546 HB2 LYS 67 1HB LYS 67 -1.345 15.987 -9.011 547 HB3 LYS 67 2HB LYS 67 -2.225 15.631 -10.491 548 HG2 LYS 67 1HG LYS 67 -3.947 17.329 -9.650 549 HG3 LYS 67 2HG LYS 67 -2.693 17.832 -8.515 550 HD2 LYS 67 1HD LYS 67 -2.375 19.265 -10.317 551 HD3 LYS 67 2HD LYS 67 -1.187 17.993 -10.608 552 HE2 LYS 67 1HE LYS 67 -3.109 16.902 -11.990 553 HE3 LYS 67 2HE LYS 67 -3.772 18.536 -12.008 554 HZ1 LYS 67 3HZ LYS 67 -1.694 17.462 -13.578 555 HZ2 LYS 67 1HZ LYS 67 -1.080 18.742 -12.658 556 HZ3 LYS 67 2HZ LYS 67 -2.409 18.992 -13.673 557 H LYS 68 H LYS 68 -3.285 13.772 -10.942 558 HA LYS 68 HA LYS 68 -2.737 11.122 -9.926 559 HB2 LYS 68 1HB LYS 68 -3.658 12.300 -12.470 560 HB3 LYS 68 2HB LYS 68 -2.676 10.849 -12.632 561 HG2 LYS 68 1HG LYS 68 -4.669 9.826 -12.443 562 HG3 LYS 68 2HG LYS 68 -4.367 10.033 -10.716 563 HD2 LYS 68 1HD LYS 68 -5.844 11.810 -10.540 564 HD3 LYS 68 2HD LYS 68 -5.756 12.185 -12.263 565 HE2 LYS 68 1HE LYS 68 -7.063 9.744 -11.065 566 HE3 LYS 68 2HE LYS 68 -7.912 11.182 -11.629 567 HZ1 LYS 68 3HZ LYS 68 -6.525 9.115 -13.196 568 HZ2 LYS 68 1HZ LYS 68 -6.675 10.677 -13.828 569 HZ3 LYS 68 2HZ LYS 68 -8.058 9.788 -13.432 570 H LEU 69 H LEU 69 -0.832 10.100 -9.922 571 HA LEU 69 HA LEU 69 1.581 11.435 -10.296 572 HB2 LEU 69 1HB LEU 69 0.986 9.198 -9.082 573 HB3 LEU 69 2HB LEU 69 1.414 8.473 -10.631 574 HG LEU 69 HG LEU 69 3.273 8.403 -9.043 575 HD11 LEU 69 1HD1 LEU 69 3.463 8.871 -11.620 576 HD12 LEU 69 2HD1 LEU 69 4.888 8.904 -10.582 577 HD13 LEU 69 3HD1 LEU 69 4.116 10.414 -11.068 578 HD21 LEU 69 3HD2 LEU 69 3.260 11.413 -9.182 579 HD22 LEU 69 1HD2 LEU 69 4.345 10.387 -8.244 580 HD23 LEU 69 2HD2 LEU 69 2.636 10.480 -7.821 581 H ASP 70 H ASP 70 -0.192 9.293 -12.481 582 HA ASP 70 HA ASP 70 1.685 9.026 -14.504 583 HB2 ASP 70 1HB ASP 70 -1.326 9.105 -14.557 584 HB3 ASP 70 2HB ASP 70 -0.383 8.848 -16.022 Start of MODEL 14 1 H1 MET 1 H MET 1 -0.868 -9.857 -5.362 2 HA MET 1 HA MET 1 0.115 -8.912 -2.846 3 HB2 MET 1 1HB MET 1 0.946 -10.950 -4.100 4 HB3 MET 1 2HB MET 1 1.758 -9.844 -5.200 5 HG2 MET 1 1HG MET 1 3.287 -9.173 -3.619 6 HG3 MET 1 2HG MET 1 2.244 -9.618 -2.270 7 HE1 MET 1 3HE MET 1 5.182 -9.965 -3.680 8 HE2 MET 1 1HE MET 1 5.636 -10.990 -2.318 9 HE3 MET 1 2HE MET 1 5.667 -11.638 -3.958 10 H ASP 2 H ASP 2 0.024 -7.687 -6.099 11 HA ASP 2 HA ASP 2 1.322 -5.226 -5.159 12 HB2 ASP 2 1HB ASP 2 1.868 -6.583 -7.808 13 HB3 ASP 2 2HB ASP 2 2.490 -5.009 -7.322 14 H GLU 3 H GLU 3 -1.293 -5.263 -5.084 15 HA GLU 3 HA GLU 3 -2.305 -4.208 -7.627 16 HB2 GLU 3 1HB GLU 3 -3.730 -5.149 -5.137 17 HB3 GLU 3 2HB GLU 3 -4.547 -4.401 -6.502 18 HG2 GLU 3 1HG GLU 3 -2.879 -6.890 -6.732 19 HG3 GLU 3 2HG GLU 3 -4.616 -6.901 -6.438 20 H THR 4 H THR 4 -0.513 -2.655 -6.011 21 HA THR 4 HA THR 4 -2.310 -0.439 -5.267 22 HB THR 4 HB THR 4 -0.864 0.230 -3.504 23 HG1 THR 4 HG1 THR 4 1.189 -0.350 -3.404 24 HG21 THR 4 3HG2 THR 4 -0.785 -1.780 -2.054 25 HG22 THR 4 1HG2 THR 4 -1.175 -2.774 -3.457 26 HG23 THR 4 2HG2 THR 4 -2.336 -1.582 -2.870 27 H GLY 5 H GLY 5 -0.768 -1.201 -7.779 28 HA2 GLY 5 1HA GLY 5 0.641 1.380 -8.060 29 HA3 GLY 5 2HA GLY 5 1.286 -0.103 -8.747 30 H LYS 6 H LYS 6 -2.135 0.432 -8.778 31 HA LYS 6 HA LYS 6 -2.105 0.453 -11.678 32 HB2 LYS 6 1HB LYS 6 -4.535 0.606 -9.901 33 HB3 LYS 6 2HB LYS 6 -4.444 0.041 -11.564 34 HG2 LYS 6 1HG LYS 6 -3.203 -1.330 -9.187 35 HG3 LYS 6 2HG LYS 6 -4.715 -1.796 -9.970 36 HD2 LYS 6 1HD LYS 6 -2.048 -1.678 -11.373 37 HD3 LYS 6 2HD LYS 6 -2.733 -3.146 -10.670 38 HE2 LYS 6 1HE LYS 6 -4.751 -2.768 -12.125 39 HE3 LYS 6 2HE LYS 6 -3.841 -1.492 -12.931 40 HZ1 LYS 6 3HZ LYS 6 -2.406 -3.975 -12.739 41 HZ2 LYS 6 1HZ LYS 6 -2.656 -2.971 -14.078 42 HZ3 LYS 6 2HZ LYS 6 -3.834 -4.102 -13.637 43 H GLU 7 H GLU 7 -3.778 2.423 -9.213 44 HA GLU 7 HA GLU 7 -3.352 4.769 -10.940 45 HB2 GLU 7 1HB GLU 7 -5.869 3.751 -9.711 46 HB3 GLU 7 2HB GLU 7 -5.639 5.492 -9.793 47 HG2 GLU 7 1HG GLU 7 -6.873 4.805 -11.710 48 HG3 GLU 7 2HG GLU 7 -5.256 5.275 -12.233 49 H LEU 8 H LEU 8 -1.579 5.401 -9.677 50 HA LEU 8 HA LEU 8 -2.057 5.967 -6.851 51 HB2 LEU 8 1HB LEU 8 0.409 5.963 -8.568 52 HB3 LEU 8 2HB LEU 8 0.404 6.610 -6.928 53 HG LEU 8 HG LEU 8 -0.530 3.813 -7.387 54 HD11 LEU 8 1HD1 LEU 8 2.368 4.610 -7.168 55 HD12 LEU 8 2HD1 LEU 8 1.586 4.014 -8.632 56 HD13 LEU 8 3HD1 LEU 8 1.726 2.968 -7.219 57 HD21 LEU 8 3HD2 LEU 8 0.265 5.524 -5.168 58 HD22 LEU 8 1HD2 LEU 8 1.056 3.947 -5.144 59 HD23 LEU 8 2HD2 LEU 8 -0.705 4.050 -5.174 60 H VAL 9 H VAL 9 -1.848 8.019 -5.949 61 HA VAL 9 HA VAL 9 -1.803 10.260 -7.862 62 HB VAL 9 HB VAL 9 -3.393 11.440 -6.311 63 HG11 VAL 9 1HG1 VAL 9 -3.923 10.015 -8.465 64 HG12 VAL 9 2HG1 VAL 9 -4.783 9.004 -7.303 65 HG13 VAL 9 3HG1 VAL 9 -5.214 10.706 -7.483 66 HG21 VAL 9 3HG2 VAL 9 -4.194 8.768 -5.254 67 HG22 VAL 9 1HG2 VAL 9 -2.873 9.643 -4.479 68 HG23 VAL 9 2HG2 VAL 9 -4.475 10.374 -4.583 69 H LEU 10 H LEU 10 -0.776 12.135 -7.211 70 HA LEU 10 HA LEU 10 0.898 11.860 -4.811 71 HB2 LEU 10 1HB LEU 10 2.285 12.105 -6.677 72 HB3 LEU 10 2HB LEU 10 1.246 13.333 -7.398 73 HG LEU 10 HG LEU 10 1.961 14.904 -5.605 74 HD11 LEU 10 1HD1 LEU 10 3.189 12.490 -4.593 75 HD12 LEU 10 2HD1 LEU 10 2.908 14.036 -3.792 76 HD13 LEU 10 3HD1 LEU 10 4.361 13.798 -4.763 77 HD21 LEU 10 3HD2 LEU 10 4.178 15.322 -6.543 78 HD22 LEU 10 1HD2 LEU 10 3.011 14.935 -7.807 79 HD23 LEU 10 2HD2 LEU 10 4.174 13.719 -7.279 80 H ALA 11 H ALA 11 1.081 13.539 -3.330 81 HA ALA 11 HA ALA 11 -1.217 15.317 -3.230 82 HB1 ALA 11 1HB ALA 11 0.929 14.623 -1.240 83 HB2 ALA 11 2HB ALA 11 -0.284 15.871 -0.948 84 HB3 ALA 11 3HB ALA 11 -0.782 14.197 -1.195 85 H LEU 12 H LEU 12 -1.171 17.412 -3.728 86 HA LEU 12 HA LEU 12 1.413 18.632 -4.367 87 HB2 LEU 12 1HB LEU 12 -1.356 19.645 -4.984 88 HB3 LEU 12 2HB LEU 12 0.165 20.269 -5.620 89 HG LEU 12 HG LEU 12 -0.691 17.449 -6.176 90 HD11 LEU 12 1HD1 LEU 12 -2.424 18.138 -7.374 91 HD12 LEU 12 2HD1 LEU 12 -1.305 19.021 -8.412 92 HD13 LEU 12 3HD1 LEU 12 -2.049 19.827 -7.032 93 HD21 LEU 12 3HD2 LEU 12 1.406 17.593 -7.001 94 HD22 LEU 12 1HD2 LEU 12 1.351 19.351 -7.138 95 HD23 LEU 12 2HD2 LEU 12 0.581 18.347 -8.366 96 H TYR 13 H TYR 13 -1.183 18.782 -2.107 97 HA TYR 13 HA TYR 13 0.090 21.116 -0.839 98 HB2 TYR 13 1HB TYR 13 -2.870 20.530 -1.040 99 HB3 TYR 13 2HB TYR 13 -2.171 21.801 -0.043 100 HD1 TYR 13 HD2 TYR 13 -2.549 20.646 -3.549 101 HD2 TYR 13 HD1 TYR 13 -1.645 23.903 -0.964 102 HE1 TYR 13 HE2 TYR 13 -2.625 22.183 -5.468 103 HE2 TYR 13 HE1 TYR 13 -1.720 25.448 -2.876 104 HH TYR 13 HH TYR 13 -1.368 24.773 -5.802 105 H ASP 14 H ASP 14 -0.348 21.268 1.507 106 HA ASP 14 HA ASP 14 -0.031 18.659 2.726 107 HB2 ASP 14 1HB ASP 14 0.462 19.937 4.782 108 HB3 ASP 14 2HB ASP 14 1.454 20.460 3.425 109 H TYR 15 H TYR 15 -1.451 17.644 4.046 110 HA TYR 15 HA TYR 15 -3.884 19.043 4.867 111 HB2 TYR 15 1HB TYR 15 -4.255 17.830 2.661 112 HB3 TYR 15 2HB TYR 15 -4.024 16.330 3.553 113 HD1 TYR 15 HD2 TYR 15 -6.028 19.479 3.801 114 HD2 TYR 15 HD1 TYR 15 -5.912 15.258 4.324 115 HE1 TYR 15 HE2 TYR 15 -8.404 19.499 4.436 116 HE2 TYR 15 HE1 TYR 15 -8.289 15.266 4.960 117 HH TYR 15 HH TYR 15 -9.914 17.053 5.985 118 H GLN 16 H GLN 16 -5.156 17.763 6.453 119 HA GLN 16 HA GLN 16 -3.540 15.802 7.920 120 HB2 GLN 16 1HB GLN 16 -4.405 16.944 10.051 121 HB3 GLN 16 2HB GLN 16 -3.088 17.721 9.184 122 HG2 GLN 16 1HG GLN 16 -4.659 19.388 9.867 123 HG3 GLN 16 2HG GLN 16 -4.729 19.223 8.113 124 HE21 GLN 16 2HE2 GLN 16 -6.688 19.216 7.303 125 HE22 GLN 16 1HE2 GLN 16 -8.124 18.680 8.100 126 H GLU 17 H GLU 17 -4.738 14.367 9.254 127 HA GLU 17 HA GLU 17 -7.457 13.957 8.292 128 HB2 GLU 17 1HB GLU 17 -7.290 11.750 9.297 129 HB3 GLU 17 2HB GLU 17 -5.884 12.063 8.289 130 HG2 GLU 17 1HG GLU 17 -4.770 12.821 10.495 131 HG3 GLU 17 2HG GLU 17 -6.077 11.924 11.265 132 H LYS 18 H LYS 18 -9.207 14.461 9.429 133 HA LYS 18 HA LYS 18 -8.869 15.258 12.233 134 HB2 LYS 18 1HB LYS 18 -10.863 16.558 11.994 135 HB3 LYS 18 2HB LYS 18 -9.847 16.888 10.597 136 HG2 LYS 18 1HG LYS 18 -11.291 14.952 9.531 137 HG3 LYS 18 2HG LYS 18 -12.445 15.463 10.765 138 HD2 LYS 18 1HD LYS 18 -12.661 17.591 9.860 139 HD3 LYS 18 2HD LYS 18 -11.126 17.486 8.995 140 HE2 LYS 18 1HE LYS 18 -12.039 16.020 7.374 141 HE3 LYS 18 2HE LYS 18 -13.490 15.746 8.335 142 HZ1 LYS 18 3HZ LYS 18 -13.717 17.310 6.395 143 HZ2 LYS 18 1HZ LYS 18 -12.774 18.413 7.265 144 HZ3 LYS 18 2HZ LYS 18 -14.265 17.903 7.881 145 H SER 19 H SER 19 -10.429 12.952 10.173 146 HA SER 19 HA SER 19 -11.779 11.796 12.526 147 HB2 SER 19 1HB SER 19 -12.804 10.975 9.896 148 HB3 SER 19 2HB SER 19 -13.680 11.467 11.345 149 HG SER 19 HG SER 19 -13.892 12.931 9.545 150 HA PRO 20 HA PRO 20 -9.577 8.046 11.963 151 HB2 PRO 20 1HB PRO 20 -11.464 6.167 12.490 152 HB3 PRO 20 2HB PRO 20 -10.755 7.195 13.742 153 HG2 PRO 20 1HG PRO 20 -13.371 7.480 12.315 154 HG3 PRO 20 2HG PRO 20 -13.007 7.692 14.037 155 HD2 PRO 20 1HD PRO 20 -13.270 9.782 12.336 156 HD3 PRO 20 2HD PRO 20 -12.169 9.817 13.728 157 H ARG 21 H ARG 21 -12.149 8.852 9.906 158 HA ARG 21 HA ARG 21 -11.819 6.488 8.222 159 HB2 ARG 21 1HB ARG 21 -13.764 7.178 7.063 160 HB3 ARG 21 2HB ARG 21 -14.092 7.478 8.765 161 HG2 ARG 21 1HG ARG 21 -13.594 9.842 8.457 162 HG3 ARG 21 2HG ARG 21 -13.232 9.548 6.755 163 HD2 ARG 21 1HD ARG 21 -15.456 9.107 6.232 164 HD3 ARG 21 2HD ARG 21 -15.882 8.769 7.909 165 HE ARG 21 HE ARG 21 -15.051 11.479 7.482 166 HH11 ARG 21 1HH1 ARG 21 -17.733 9.267 7.310 167 HH12 ARG 21 2HH1 ARG 21 -18.934 10.504 7.481 168 HH21 ARG 21 1HH2 ARG 21 -16.621 13.117 7.708 169 HH22 ARG 21 2HH2 ARG 21 -18.300 12.694 7.706 170 H GLU 22 H GLU 22 -10.963 9.848 8.376 171 HA GLU 22 HA GLU 22 -10.165 9.984 5.596 172 HB2 GLU 22 1HB GLU 22 -10.294 11.881 7.881 173 HB3 GLU 22 2HB GLU 22 -9.122 12.225 6.617 174 HG2 GLU 22 1HG GLU 22 -10.970 13.402 5.916 175 HG3 GLU 22 2HG GLU 22 -11.112 11.899 5.005 176 H VAL 23 H VAL 23 -7.865 11.130 5.344 177 HA VAL 23 HA VAL 23 -5.886 9.773 7.023 178 HB VAL 23 HB VAL 23 -4.588 9.237 4.888 179 HG11 VAL 23 1HG1 VAL 23 -5.219 7.125 5.233 180 HG12 VAL 23 2HG1 VAL 23 -6.376 7.772 6.397 181 HG13 VAL 23 3HG1 VAL 23 -6.878 7.455 4.736 182 HG21 VAL 23 3HG2 VAL 23 -5.970 10.587 3.372 183 HG22 VAL 23 1HG2 VAL 23 -5.902 8.898 2.869 184 HG23 VAL 23 2HG2 VAL 23 -7.340 9.519 3.680 185 H THR 24 H THR 24 -3.760 10.682 6.895 186 HA THR 24 HA THR 24 -3.825 13.524 6.213 187 HB THR 24 HB THR 24 -1.795 11.951 7.811 188 HG1 THR 24 HG1 THR 24 -2.792 13.378 9.503 189 HG21 THR 24 3HG2 THR 24 -1.591 14.502 6.574 190 HG22 THR 24 1HG2 THR 24 -0.441 13.712 7.651 191 HG23 THR 24 2HG2 THR 24 -1.703 14.748 8.316 192 H MET 25 H MET 25 -2.712 14.382 4.569 193 HA MET 25 HA MET 25 -0.632 12.749 3.281 194 HB2 MET 25 1HB MET 25 -1.433 13.690 1.086 195 HB3 MET 25 2HB MET 25 -2.525 12.542 1.848 196 HG2 MET 25 1HG MET 25 -3.782 14.512 2.770 197 HG3 MET 25 2HG MET 25 -2.786 15.531 1.733 198 HE1 MET 25 3HE MET 25 -5.999 15.786 -0.257 199 HE2 MET 25 1HE MET 25 -5.177 16.348 1.199 200 HE3 MET 25 2HE MET 25 -4.375 16.467 -0.368 201 H LYS 26 H LYS 26 1.065 13.889 2.295 202 HA LYS 26 HA LYS 26 1.149 16.781 2.808 203 HB2 LYS 26 1HB LYS 26 2.455 16.056 4.586 204 HB3 LYS 26 2HB LYS 26 3.091 14.681 3.692 205 HG2 LYS 26 1HG LYS 26 4.605 16.023 2.496 206 HG3 LYS 26 2HG LYS 26 3.789 17.512 2.979 207 HD2 LYS 26 1HD LYS 26 4.402 16.617 5.400 208 HD3 LYS 26 2HD LYS 26 5.676 15.790 4.501 209 HE2 LYS 26 1HE LYS 26 6.560 17.834 3.698 210 HE3 LYS 26 2HE LYS 26 5.142 18.738 4.227 211 HZ1 LYS 26 3HZ LYS 26 6.733 19.198 5.831 212 HZ2 LYS 26 1HZ LYS 26 7.325 17.613 5.864 213 HZ3 LYS 26 2HZ LYS 26 5.821 17.968 6.552 214 H LYS 27 H LYS 27 2.469 17.989 1.404 215 HA LYS 27 HA LYS 27 2.447 17.338 -1.255 216 HB2 LYS 27 1HB LYS 27 4.421 19.105 0.202 217 HB3 LYS 27 2HB LYS 27 4.220 19.070 -1.545 218 HG2 LYS 27 1HG LYS 27 2.747 20.708 -1.267 219 HG3 LYS 27 2HG LYS 27 1.657 19.476 -0.627 220 HD2 LYS 27 1HD LYS 27 1.951 20.141 1.526 221 HD3 LYS 27 2HD LYS 27 3.626 20.632 1.259 222 HE2 LYS 27 1HE LYS 27 2.701 22.571 -0.079 223 HE3 LYS 27 2HE LYS 27 1.114 22.133 0.553 224 HZ1 LYS 27 3HZ LYS 27 1.605 23.374 2.307 225 HZ2 LYS 27 1HZ LYS 27 3.210 23.578 1.813 226 HZ3 LYS 27 2HZ LYS 27 2.776 22.233 2.742 227 H GLY 28 H GLY 28 3.398 15.778 -2.378 228 HA2 GLY 28 1HA GLY 28 5.449 14.846 -3.254 229 HA3 GLY 28 2HA GLY 28 6.149 15.007 -1.650 230 H ASP 29 H ASP 29 3.351 13.975 -0.722 231 HA ASP 29 HA ASP 29 4.189 11.251 -0.447 232 HB2 ASP 29 1HB ASP 29 2.944 12.509 1.317 233 HB3 ASP 29 2HB ASP 29 1.521 12.475 0.279 234 H ILE 30 H ILE 30 3.018 9.385 -1.135 235 HA ILE 30 HA ILE 30 1.276 9.825 -3.467 236 HB ILE 30 HB ILE 30 3.450 7.737 -3.263 237 HG12 ILE 30 1HG1 ILE 30 4.082 9.125 -5.459 238 HG13 ILE 30 2HG1 ILE 30 3.268 10.407 -4.568 239 HG21 ILE 30 1HG2 ILE 30 2.815 7.324 -5.668 240 HG22 ILE 30 2HG2 ILE 30 1.643 6.792 -4.463 241 HG23 ILE 30 3HG2 ILE 30 1.367 8.283 -5.362 242 HD11 ILE 30 3HD1 ILE 30 5.532 8.770 -3.459 243 HD12 ILE 30 1HD1 ILE 30 5.732 10.328 -4.261 244 HD13 ILE 30 2HD1 ILE 30 4.809 10.219 -2.761 245 H LEU 31 H LEU 31 -0.612 8.817 -3.314 246 HA LEU 31 HA LEU 31 -0.824 6.507 -1.496 247 HB2 LEU 31 1HB LEU 31 -3.101 8.338 -2.177 248 HB3 LEU 31 2HB LEU 31 -2.977 7.186 -0.849 249 HG LEU 31 HG LEU 31 -1.604 9.856 -1.098 250 HD11 LEU 31 1HD1 LEU 31 -2.822 9.923 1.255 251 HD12 LEU 31 2HD1 LEU 31 -3.884 8.766 0.453 252 HD13 LEU 31 3HD1 LEU 31 -3.645 10.370 -0.240 253 HD21 LEU 31 3HD2 LEU 31 -0.993 7.498 0.590 254 HD22 LEU 31 1HD2 LEU 31 -0.947 9.084 1.360 255 HD23 LEU 31 2HD2 LEU 31 0.076 8.752 -0.038 256 H THR 32 H THR 32 -2.836 5.152 -2.025 257 HA THR 32 HA THR 32 -2.782 4.604 -4.905 258 HB THR 32 HB THR 32 -3.811 2.832 -2.682 259 HG1 THR 32 HG1 THR 32 -1.824 2.074 -2.513 260 HG21 THR 32 3HG2 THR 32 -4.355 1.308 -4.245 261 HG22 THR 32 1HG2 THR 32 -2.926 1.653 -5.217 262 HG23 THR 32 2HG2 THR 32 -4.354 2.678 -5.354 263 H LEU 33 H LEU 33 -4.349 5.700 -5.927 264 HA LEU 33 HA LEU 33 -6.763 6.570 -4.832 265 HB2 LEU 33 1HB LEU 33 -5.501 7.082 -7.109 266 HB3 LEU 33 2HB LEU 33 -6.653 5.898 -7.723 267 HG LEU 33 HG LEU 33 -7.573 8.049 -8.118 268 HD11 LEU 33 1HD1 LEU 33 -9.613 8.010 -6.725 269 HD12 LEU 33 2HD1 LEU 33 -8.853 6.800 -5.692 270 HD13 LEU 33 3HD1 LEU 33 -9.195 6.428 -7.382 271 HD21 LEU 33 3HD2 LEU 33 -7.924 9.116 -5.506 272 HD22 LEU 33 1HD2 LEU 33 -7.045 9.804 -6.871 273 HD23 LEU 33 2HD2 LEU 33 -6.214 8.745 -5.732 274 H LEU 34 H LEU 34 -8.089 5.155 -3.845 275 HA LEU 34 HA LEU 34 -8.648 2.564 -5.017 276 HB2 LEU 34 1HB LEU 34 -8.500 3.408 -2.460 277 HB3 LEU 34 2HB LEU 34 -10.240 3.513 -2.722 278 HG LEU 34 HG LEU 34 -10.295 1.137 -3.308 279 HD11 LEU 34 1HD1 LEU 34 -8.149 0.782 -4.258 280 HD12 LEU 34 2HD1 LEU 34 -8.244 -0.222 -2.812 281 HD13 LEU 34 3HD1 LEU 34 -7.336 1.289 -2.778 282 HD21 LEU 34 3HD2 LEU 34 -8.855 1.560 -0.695 283 HD22 LEU 34 1HD2 LEU 34 -9.981 0.266 -1.105 284 HD23 LEU 34 2HD2 LEU 34 -10.561 1.925 -0.954 285 H ASN 35 H ASN 35 -10.487 5.493 -4.180 286 HA ASN 35 HA ASN 35 -12.421 4.771 -6.271 287 HB2 ASN 35 1HB ASN 35 -13.025 4.530 -3.614 288 HB3 ASN 35 2HB ASN 35 -13.574 6.169 -3.951 289 HD21 ASN 35 2HD2 ASN 35 -15.105 6.469 -5.672 290 HD22 ASN 35 1HD2 ASN 35 -16.208 5.199 -6.068 291 H SER 36 H SER 36 -12.653 6.349 -7.702 292 HA SER 36 HA SER 36 -12.145 9.121 -6.838 293 HB2 SER 36 1HB SER 36 -11.570 9.121 -9.535 294 HB3 SER 36 2HB SER 36 -10.378 9.065 -8.237 295 HG SER 36 HG SER 36 -9.872 7.309 -9.363 296 H THR 37 H THR 37 -14.620 7.408 -7.250 297 HA THR 37 HA THR 37 -16.058 8.134 -9.497 298 HB THR 37 HB THR 37 -16.853 6.485 -7.840 299 HG1 THR 37 HG1 THR 37 -18.769 8.569 -8.108 300 HG21 THR 37 3HG2 THR 37 -16.241 8.038 -5.875 301 HG22 THR 37 1HG2 THR 37 -17.702 7.060 -5.739 302 HG23 THR 37 2HG2 THR 37 -17.821 8.771 -6.152 303 H ASN 38 H ASN 38 -15.399 9.977 -6.590 304 HA ASN 38 HA ASN 38 -17.175 12.128 -7.439 305 HB2 ASN 38 1HB ASN 38 -15.994 11.267 -4.924 306 HB3 ASN 38 2HB ASN 38 -15.785 12.996 -5.187 307 HD21 ASN 38 2HD2 ASN 38 -17.531 14.334 -5.116 308 HD22 ASN 38 1HD2 ASN 38 -19.111 13.815 -4.647 309 H LYS 39 H LYS 39 -16.251 14.405 -7.202 310 HA LYS 39 HA LYS 39 -13.636 14.486 -8.553 311 HB2 LYS 39 1HB LYS 39 -14.394 16.709 -9.415 312 HB3 LYS 39 2HB LYS 39 -15.356 15.351 -9.982 313 HG2 LYS 39 1HG LYS 39 -16.290 16.740 -7.542 314 HG3 LYS 39 2HG LYS 39 -16.438 17.600 -9.076 315 HD2 LYS 39 1HD LYS 39 -17.391 15.185 -9.795 316 HD3 LYS 39 2HD LYS 39 -17.858 15.205 -8.093 317 HE2 LYS 39 1HE LYS 39 -18.437 17.505 -9.937 318 HE3 LYS 39 2HE LYS 39 -19.531 16.131 -9.786 319 HZ1 LYS 39 3HZ LYS 39 -19.505 18.351 -8.200 320 HZ2 LYS 39 1HZ LYS 39 -18.751 17.176 -7.244 321 HZ3 LYS 39 2HZ LYS 39 -20.300 16.897 -7.863 322 H ASP 40 H ASP 40 -15.507 15.667 -5.873 323 HA ASP 40 HA ASP 40 -13.471 17.601 -5.109 324 HB2 ASP 40 1HB ASP 40 -16.006 16.825 -3.653 325 HB3 ASP 40 2HB ASP 40 -14.988 18.222 -3.316 326 H TRP 41 H TRP 41 -15.046 14.772 -3.613 327 HA TRP 41 HA TRP 41 -12.752 14.513 -1.807 328 HB2 TRP 41 1HB TRP 41 -15.528 13.325 -1.753 329 HB3 TRP 41 2HB TRP 41 -14.250 12.819 -0.652 330 HD1 TRP 41 HD1 TRP 41 -16.955 15.325 -0.997 331 HE1 TRP 41 HE1 TRP 41 -16.793 17.085 0.875 332 HE3 TRP 41 HE3 TRP 41 -12.289 14.206 0.768 333 HZ2 TRP 41 HZ2 TRP 41 -14.934 17.892 2.839 334 HZ3 TRP 41 HZ3 TRP 41 -11.392 15.520 2.645 335 HH2 TRP 41 HH2 TRP 41 -12.688 17.325 3.657 336 H TRP 42 H TRP 42 -11.159 13.299 -2.589 337 HA TRP 42 HA TRP 42 -11.816 10.985 -4.268 338 HB2 TRP 42 1HB TRP 42 -9.453 12.773 -4.009 339 HB3 TRP 42 2HB TRP 42 -9.145 11.092 -4.438 340 HD1 TRP 42 HD1 TRP 42 -12.380 12.338 -5.825 341 HE1 TRP 42 HE1 TRP 42 -12.133 12.809 -8.343 342 HE3 TRP 42 HE3 TRP 42 -7.291 12.031 -6.214 343 HZ2 TRP 42 HZ2 TRP 42 -10.057 13.021 -10.244 344 HZ3 TRP 42 HZ3 TRP 42 -6.254 12.380 -8.418 345 HH2 TRP 42 HH2 TRP 42 -7.610 12.864 -10.390 346 H LYS 43 H LYS 43 -11.400 8.935 -3.655 347 HA LYS 43 HA LYS 43 -10.498 8.528 -0.906 348 HB2 LYS 43 1HB LYS 43 -11.862 6.705 -2.890 349 HB3 LYS 43 2HB LYS 43 -11.309 6.172 -1.308 350 HG2 LYS 43 1HG LYS 43 -13.550 6.621 -0.961 351 HG3 LYS 43 2HG LYS 43 -12.760 8.095 -0.395 352 HD2 LYS 43 1HD LYS 43 -13.603 9.351 -2.080 353 HD3 LYS 43 2HD LYS 43 -13.502 8.035 -3.252 354 HE2 LYS 43 1HE LYS 43 -15.572 8.300 -1.073 355 HE3 LYS 43 2HE LYS 43 -15.825 8.667 -2.779 356 HZ1 LYS 43 3HZ LYS 43 -16.206 6.244 -1.552 357 HZ2 LYS 43 1HZ LYS 43 -14.766 6.049 -2.419 358 HZ3 LYS 43 2HZ LYS 43 -16.176 6.535 -3.218 359 H VAL 44 H VAL 44 -8.575 7.691 -0.398 360 HA VAL 44 HA VAL 44 -7.076 6.193 -2.423 361 HB VAL 44 HB VAL 44 -4.991 7.461 -1.531 362 HG11 VAL 44 1HG1 VAL 44 -5.406 7.691 -3.792 363 HG12 VAL 44 2HG1 VAL 44 -6.992 8.421 -3.533 364 HG13 VAL 44 3HG1 VAL 44 -5.529 9.357 -3.228 365 HG21 VAL 44 3HG2 VAL 44 -6.129 8.682 0.243 366 HG22 VAL 44 1HG2 VAL 44 -5.433 9.797 -0.932 367 HG23 VAL 44 2HG2 VAL 44 -7.166 9.470 -0.946 368 H GLU 45 H GLU 45 -5.444 4.815 -1.572 369 HA GLU 45 HA GLU 45 -5.927 4.090 1.231 370 HB2 GLU 45 1HB GLU 45 -6.153 2.457 -0.807 371 HB3 GLU 45 2HB GLU 45 -4.401 2.368 -0.687 372 HG2 GLU 45 1HG GLU 45 -4.505 1.478 1.503 373 HG3 GLU 45 2HG GLU 45 -6.227 1.832 1.636 374 H VAL 46 H VAL 46 -4.332 4.077 2.727 375 HA VAL 46 HA VAL 46 -1.643 4.888 1.829 376 HB VAL 46 HB VAL 46 -1.350 6.129 3.880 377 HG11 VAL 46 1HG1 VAL 46 -2.507 7.172 1.900 378 HG12 VAL 46 2HG1 VAL 46 -4.029 6.910 2.753 379 HG13 VAL 46 3HG1 VAL 46 -2.795 7.960 3.450 380 HG21 VAL 46 3HG2 VAL 46 -3.162 6.399 5.502 381 HG22 VAL 46 1HG2 VAL 46 -4.156 5.270 4.580 382 HG23 VAL 46 2HG2 VAL 46 -2.676 4.709 5.360 383 H LYS 47 H LYS 47 0.145 4.080 3.010 384 HA LYS 47 HA LYS 47 -0.378 1.469 4.215 385 HB2 LYS 47 1HB LYS 47 1.384 2.046 2.339 386 HB3 LYS 47 2HB LYS 47 2.378 2.516 3.712 387 HG2 LYS 47 1HG LYS 47 1.110 -0.085 4.052 388 HG3 LYS 47 2HG LYS 47 2.185 -0.003 2.654 389 HD2 LYS 47 1HD LYS 47 3.742 -0.528 4.218 390 HD3 LYS 47 2HD LYS 47 3.736 1.220 4.462 391 HE2 LYS 47 1HE LYS 47 2.336 1.042 6.360 392 HE3 LYS 47 2HE LYS 47 1.948 -0.641 6.007 393 HZ1 LYS 47 3HZ LYS 47 4.565 -0.834 6.255 394 HZ2 LYS 47 1HZ LYS 47 3.520 -0.968 7.578 395 HZ3 LYS 47 2HZ LYS 47 4.315 0.493 7.273 396 H ILE 48 H ILE 48 -0.501 1.303 6.345 397 HA ILE 48 HA ILE 48 0.921 3.276 8.003 398 HB ILE 48 HB ILE 48 -1.452 1.550 8.722 399 HG12 ILE 48 1HG1 ILE 48 -1.302 4.549 8.363 400 HG13 ILE 48 2HG1 ILE 48 -1.889 3.441 7.128 401 HG21 ILE 48 1HG2 ILE 48 -0.460 1.828 10.762 402 HG22 ILE 48 2HG2 ILE 48 0.311 3.346 10.304 403 HG23 ILE 48 3HG2 ILE 48 -1.410 3.312 10.684 404 HD11 ILE 48 3HD1 ILE 48 -3.096 3.966 9.829 405 HD12 ILE 48 1HD1 ILE 48 -3.764 4.381 8.251 406 HD13 ILE 48 2HD1 ILE 48 -3.632 2.690 8.735 407 H THR 49 H THR 49 2.316 2.633 9.578 408 HA THR 49 HA THR 49 3.064 -0.203 9.561 409 HB THR 49 HB THR 49 4.633 2.093 10.739 410 HG1 THR 49 HG1 THR 49 5.426 2.461 8.795 411 HG21 THR 49 3HG2 THR 49 5.098 -0.811 10.341 412 HG22 THR 49 1HG2 THR 49 5.644 0.255 11.635 413 HG23 THR 49 2HG2 THR 49 6.464 0.271 10.073 414 H VAL 50 H VAL 50 2.297 -1.421 11.148 415 HA VAL 50 HA VAL 50 2.002 -0.222 13.826 416 HB VAL 50 HB VAL 50 0.204 -2.297 12.563 417 HG11 VAL 50 1HG1 VAL 50 0.300 -2.852 14.836 418 HG12 VAL 50 2HG1 VAL 50 0.346 -1.161 15.338 419 HG13 VAL 50 3HG1 VAL 50 -1.143 -1.849 14.690 420 HG21 VAL 50 3HG2 VAL 50 -1.446 -0.303 13.208 421 HG22 VAL 50 1HG2 VAL 50 0.018 0.638 12.923 422 HG23 VAL 50 2HG2 VAL 50 -0.631 -0.391 11.646 423 H ASN 51 H ASN 51 3.666 -1.020 14.958 424 HA ASN 51 HA ASN 51 5.119 -2.483 15.920 425 HB2 ASN 51 1HB ASN 51 2.753 -3.372 16.586 426 HB3 ASN 51 2HB ASN 51 3.136 -4.692 15.484 427 HD21 ASN 51 2HD2 ASN 51 3.040 -6.094 17.297 428 HD22 ASN 51 1HD2 ASN 51 4.375 -6.213 18.388 429 H GLY 52 H GLY 52 5.501 -2.086 13.172 430 HA2 GLY 52 1HA GLY 52 6.985 -2.964 11.621 431 HA3 GLY 52 2HA GLY 52 7.030 -4.453 12.554 432 H LYS 53 H LYS 53 3.853 -3.784 12.136 433 HA LYS 53 HA LYS 53 3.646 -5.712 9.961 434 HB2 LYS 53 1HB LYS 53 1.424 -4.487 11.601 435 HB3 LYS 53 2HB LYS 53 1.320 -5.909 10.572 436 HG2 LYS 53 1HG LYS 53 2.735 -7.156 12.053 437 HG3 LYS 53 2HG LYS 53 3.046 -5.720 13.031 438 HD2 LYS 53 1HD LYS 53 0.872 -5.693 13.891 439 HD3 LYS 53 2HD LYS 53 0.255 -6.739 12.610 440 HE2 LYS 53 1HE LYS 53 1.456 -8.626 13.521 441 HE3 LYS 53 2HE LYS 53 2.220 -7.598 14.732 442 HZ1 LYS 53 3HZ LYS 53 -0.664 -8.271 14.532 443 HZ2 LYS 53 1HZ LYS 53 -0.029 -7.133 15.612 444 HZ3 LYS 53 2HZ LYS 53 0.414 -8.760 15.740 445 H THR 54 H THR 54 2.510 -5.344 8.049 446 HA THR 54 HA THR 54 2.432 -2.545 7.230 447 HB THR 54 HB THR 54 1.667 -4.405 5.152 448 HG1 THR 54 HG1 THR 54 3.829 -5.409 5.116 449 HG21 THR 54 3HG2 THR 54 2.538 -2.203 4.686 450 HG22 THR 54 1HG2 THR 54 3.657 -3.406 4.045 451 HG23 THR 54 2HG2 THR 54 4.030 -2.568 5.552 452 H TYR 55 H TYR 55 0.597 -1.451 7.380 453 HA TYR 55 HA TYR 55 -1.946 -2.918 7.147 454 HB2 TYR 55 1HB TYR 55 -1.120 -0.550 8.780 455 HB3 TYR 55 2HB TYR 55 -2.805 -0.716 8.300 456 HD1 TYR 55 HD1 TYR 55 -0.243 -3.185 9.453 457 HD2 TYR 55 HD2 TYR 55 -4.056 -1.414 10.108 458 HE1 TYR 55 HE1 TYR 55 -0.624 -4.716 11.340 459 HE2 TYR 55 HE2 TYR 55 -4.447 -2.940 11.997 460 HH TYR 55 HH TYR 55 -3.629 -5.202 12.735 461 H GLU 56 H GLU 56 -3.711 -1.843 6.071 462 HA GLU 56 HA GLU 56 -3.031 0.404 4.345 463 HB2 GLU 56 1HB GLU 56 -3.692 -2.356 3.375 464 HB3 GLU 56 2HB GLU 56 -4.143 -0.954 2.416 465 HG2 GLU 56 1HG GLU 56 -1.832 -0.257 2.284 466 HG3 GLU 56 2HG GLU 56 -1.347 -1.594 3.327 467 H ARG 57 H ARG 57 -4.636 1.816 4.456 468 HA ARG 57 HA ARG 57 -7.398 0.845 4.574 469 HB2 ARG 57 1HB ARG 57 -7.963 2.443 6.334 470 HB3 ARG 57 2HB ARG 57 -6.731 1.317 6.887 471 HG2 ARG 57 1HG ARG 57 -5.161 2.923 7.101 472 HG3 ARG 57 2HG ARG 57 -5.756 3.842 5.717 473 HD2 ARG 57 1HD ARG 57 -6.709 5.256 7.141 474 HD3 ARG 57 2HD ARG 57 -7.791 3.955 7.635 475 HE ARG 57 HE ARG 57 -5.534 4.990 9.096 476 HH11 ARG 57 1HH1 ARG 57 -7.694 2.295 8.654 477 HH12 ARG 57 2HH1 ARG 57 -7.441 1.663 10.247 478 HH21 ARG 57 1HH2 ARG 57 -5.193 4.167 11.196 479 HH22 ARG 57 2HH2 ARG 57 -6.019 2.729 11.693 480 H GLN 58 H GLN 58 -8.930 2.222 3.667 481 HA GLN 58 HA GLN 58 -7.808 4.254 1.893 482 HB2 GLN 58 1HB GLN 58 -9.796 4.060 0.605 483 HB3 GLN 58 2HB GLN 58 -9.320 2.423 1.038 484 HG2 GLN 58 1HG GLN 58 -10.999 2.328 2.750 485 HG3 GLN 58 2HG GLN 58 -11.408 4.024 2.496 486 HE21 GLN 58 2HE2 GLN 58 -11.624 4.294 -0.137 487 HE22 GLN 58 1HE2 GLN 58 -12.855 3.267 -0.778 488 H GLY 59 H GLY 59 -8.332 6.389 1.966 489 HA2 GLY 59 1HA GLY 59 -10.334 7.249 3.942 490 HA3 GLY 59 2HA GLY 59 -8.708 7.910 4.022 491 H PHE 60 H PHE 60 -11.145 9.379 3.648 492 HA PHE 60 HA PHE 60 -11.186 10.164 0.857 493 HB2 PHE 60 1HB PHE 60 -12.656 11.526 3.108 494 HB3 PHE 60 2HB PHE 60 -13.072 11.492 1.397 495 HD1 PHE 60 HD2 PHE 60 -13.130 9.635 4.546 496 HD2 PHE 60 HD1 PHE 60 -14.184 9.590 0.422 497 HE1 PHE 60 HE2 PHE 60 -14.603 7.705 4.947 498 HE2 PHE 60 HE1 PHE 60 -15.659 7.660 0.817 499 HZ PHE 60 HZ PHE 60 -15.869 6.715 3.081 500 H VAL 61 H VAL 61 -10.406 12.043 0.011 501 HA VAL 61 HA VAL 61 -9.290 14.081 1.758 502 HB VAL 61 HB VAL 61 -7.129 14.050 0.395 503 HG11 VAL 61 1HG1 VAL 61 -7.718 11.809 2.326 504 HG12 VAL 61 2HG1 VAL 61 -6.104 12.356 1.865 505 HG13 VAL 61 3HG1 VAL 61 -7.189 13.440 2.737 506 HG21 VAL 61 3HG2 VAL 61 -7.893 12.520 -1.354 507 HG22 VAL 61 1HG2 VAL 61 -6.467 11.889 -0.531 508 HG23 VAL 61 2HG2 VAL 61 -8.061 11.233 -0.161 509 HA PRO 62 HA PRO 62 -10.568 16.800 -1.443 510 HB2 PRO 62 1HB PRO 62 -8.759 18.809 -1.193 511 HB3 PRO 62 2HB PRO 62 -10.052 18.529 -0.021 512 HG2 PRO 62 1HG PRO 62 -7.169 17.733 0.112 513 HG3 PRO 62 2HG PRO 62 -8.201 18.417 1.382 514 HD2 PRO 62 1HD PRO 62 -7.636 15.773 1.230 515 HD3 PRO 62 2HD PRO 62 -9.181 16.385 1.855 516 H ALA 63 H ALA 63 -10.313 16.164 -3.500 517 HA ALA 63 HA ALA 63 -7.908 15.331 -4.681 518 HB1 ALA 63 1HB ALA 63 -10.405 15.017 -5.410 519 HB2 ALA 63 2HB ALA 63 -10.091 16.470 -6.360 520 HB3 ALA 63 3HB ALA 63 -9.112 15.024 -6.610 521 H ALA 64 H ALA 64 -9.342 18.485 -4.318 522 HA ALA 64 HA ALA 64 -7.877 19.846 -6.311 523 HB1 ALA 64 1HB ALA 64 -8.898 21.038 -3.741 524 HB2 ALA 64 2HB ALA 64 -8.609 21.859 -5.276 525 HB3 ALA 64 3HB ALA 64 -9.925 20.693 -5.133 526 H TYR 65 H TYR 65 -6.912 18.485 -3.362 527 HA TYR 65 HA TYR 65 -4.577 20.248 -3.140 528 HB2 TYR 65 1HB TYR 65 -5.837 18.268 -1.251 529 HB3 TYR 65 2HB TYR 65 -4.223 18.914 -0.977 530 HD1 TYR 65 HD1 TYR 65 -7.590 20.268 -1.900 531 HD2 TYR 65 HD2 TYR 65 -4.114 20.653 0.522 532 HE1 TYR 65 HE1 TYR 65 -8.573 22.244 -0.815 533 HE2 TYR 65 HE2 TYR 65 -5.087 22.629 1.615 534 HH TYR 65 HH TYR 65 -6.766 24.345 1.159 535 H VAL 66 H VAL 66 -5.438 17.459 -4.656 536 HA VAL 66 HA VAL 66 -2.647 16.556 -4.760 537 HB VAL 66 HB VAL 66 -3.272 14.228 -4.675 538 HG11 VAL 66 1HG1 VAL 66 -3.131 15.819 -2.541 539 HG12 VAL 66 2HG1 VAL 66 -4.783 15.233 -2.335 540 HG13 VAL 66 3HG1 VAL 66 -3.443 14.088 -2.416 541 HG21 VAL 66 3HG2 VAL 66 -5.885 14.111 -3.789 542 HG22 VAL 66 1HG2 VAL 66 -5.939 15.303 -5.088 543 HG23 VAL 66 2HG2 VAL 66 -5.312 13.685 -5.402 544 H LYS 67 H LYS 67 -2.716 14.599 -6.540 545 HA LYS 67 HA LYS 67 -4.442 15.125 -8.768 546 HB2 LYS 67 1HB LYS 67 -2.753 15.904 -10.326 547 HB3 LYS 67 2HB LYS 67 -2.858 17.010 -8.963 548 HG2 LYS 67 1HG LYS 67 -0.750 16.617 -8.322 549 HG3 LYS 67 2HG LYS 67 -0.869 14.885 -8.641 550 HD2 LYS 67 1HD LYS 67 0.770 15.925 -10.114 551 HD3 LYS 67 2HD LYS 67 -0.605 15.317 -11.041 552 HE2 LYS 67 1HE LYS 67 -0.783 18.117 -10.118 553 HE3 LYS 67 2HE LYS 67 0.433 17.781 -11.349 554 HZ1 LYS 67 3HZ LYS 67 -1.703 16.481 -12.317 555 HZ2 LYS 67 1HZ LYS 67 -1.274 18.060 -12.748 556 HZ3 LYS 67 2HZ LYS 67 -2.448 17.798 -11.560 557 H LYS 68 H LYS 68 -3.599 13.862 -10.761 558 HA LYS 68 HA LYS 68 -3.193 11.168 -9.935 559 HB2 LYS 68 1HB LYS 68 -3.668 12.597 -12.470 560 HB3 LYS 68 2HB LYS 68 -2.748 11.106 -12.621 561 HG2 LYS 68 1HG LYS 68 -4.754 10.134 -12.754 562 HG3 LYS 68 2HG LYS 68 -4.778 10.316 -10.999 563 HD2 LYS 68 1HD LYS 68 -6.844 11.167 -11.808 564 HD3 LYS 68 2HD LYS 68 -5.860 12.562 -11.357 565 HE2 LYS 68 1HE LYS 68 -5.223 12.851 -13.712 566 HE3 LYS 68 2HE LYS 68 -6.241 11.479 -14.147 567 HZ1 LYS 68 3HZ LYS 68 -8.059 12.877 -12.949 568 HZ2 LYS 68 1HZ LYS 68 -7.637 13.228 -14.550 569 HZ3 LYS 68 2HZ LYS 68 -7.026 14.173 -13.288 570 H LEU 69 H LEU 69 -1.431 9.799 -10.341 571 HA LEU 69 HA LEU 69 1.137 11.207 -10.512 572 HB2 LEU 69 1HB LEU 69 0.645 9.773 -8.534 573 HB3 LEU 69 2HB LEU 69 0.593 8.382 -9.615 574 HG LEU 69 HG LEU 69 3.054 10.071 -9.521 575 HD11 LEU 69 1HD1 LEU 69 2.336 7.937 -7.517 576 HD12 LEU 69 2HD1 LEU 69 2.557 9.654 -7.183 577 HD13 LEU 69 3HD1 LEU 69 3.927 8.675 -7.705 578 HD21 LEU 69 3HD2 LEU 69 3.771 7.447 -9.652 579 HD22 LEU 69 1HD2 LEU 69 3.523 8.498 -11.047 580 HD23 LEU 69 2HD2 LEU 69 2.224 7.438 -10.499 581 H ASP 70 H ASP 70 -0.786 8.708 -12.022 582 HA ASP 70 HA ASP 70 1.210 7.596 -13.672 583 HB2 ASP 70 1HB ASP 70 -1.779 7.647 -13.713 584 HB3 ASP 70 2HB ASP 70 -0.920 7.076 -15.141 Start of MODEL 15 1 H1 MET 1 H MET 1 5.157 4.204 -7.327 2 HA MET 1 HA MET 1 6.869 1.957 -6.508 3 HB2 MET 1 1HB MET 1 4.258 2.840 -5.289 4 HB3 MET 1 2HB MET 1 4.891 1.213 -5.077 5 HG2 MET 1 1HG MET 1 6.403 3.700 -4.328 6 HG3 MET 1 2HG MET 1 5.376 2.802 -3.213 7 HE1 MET 1 3HE MET 1 7.199 2.990 -1.786 8 HE2 MET 1 1HE MET 1 7.554 1.314 -1.367 9 HE3 MET 1 2HE MET 1 8.833 2.356 -1.990 10 H ASP 2 H ASP 2 6.012 -0.154 -7.003 11 HA ASP 2 HA ASP 2 4.018 -0.114 -9.174 12 HB2 ASP 2 1HB ASP 2 5.322 -2.157 -10.039 13 HB3 ASP 2 2HB ASP 2 6.040 -0.567 -10.282 14 H GLU 3 H GLU 3 3.297 -0.484 -6.514 15 HA GLU 3 HA GLU 3 3.220 -3.129 -5.621 16 HB2 GLU 3 1HB GLU 3 1.311 -0.834 -5.170 17 HB3 GLU 3 2HB GLU 3 1.171 -2.379 -4.343 18 HG2 GLU 3 1HG GLU 3 3.530 -0.516 -4.203 19 HG3 GLU 3 2HG GLU 3 2.292 -0.715 -2.964 20 H THR 4 H THR 4 0.373 -1.415 -6.895 21 HA THR 4 HA THR 4 -0.540 -3.965 -8.042 22 HB THR 4 HB THR 4 -2.798 -3.013 -8.027 23 HG1 THR 4 HG1 THR 4 -3.130 -0.947 -7.621 24 HG21 THR 4 3HG2 THR 4 -1.172 -3.309 -5.589 25 HG22 THR 4 1HG2 THR 4 -2.679 -4.099 -6.050 26 HG23 THR 4 2HG2 THR 4 -2.708 -2.470 -5.374 27 H GLY 5 H GLY 5 0.014 -0.563 -8.760 28 HA2 GLY 5 1HA GLY 5 0.373 0.491 -10.773 29 HA3 GLY 5 2HA GLY 5 0.458 -1.098 -11.519 30 H LYS 6 H LYS 6 -2.080 0.836 -9.922 31 HA LYS 6 HA LYS 6 -3.780 0.339 -12.278 32 HB2 LYS 6 1HB LYS 6 -4.802 0.699 -9.463 33 HB3 LYS 6 2HB LYS 6 -5.701 0.157 -10.875 34 HG2 LYS 6 1HG LYS 6 -3.465 -1.363 -9.550 35 HG3 LYS 6 2HG LYS 6 -5.188 -1.673 -9.328 36 HD2 LYS 6 1HD LYS 6 -5.350 -2.054 -11.797 37 HD3 LYS 6 2HD LYS 6 -3.590 -1.945 -11.871 38 HE2 LYS 6 1HE LYS 6 -4.220 -4.261 -11.771 39 HE3 LYS 6 2HE LYS 6 -3.459 -3.815 -10.245 40 HZ1 LYS 6 3HZ LYS 6 -6.258 -3.402 -10.117 41 HZ2 LYS 6 1HZ LYS 6 -5.281 -4.391 -9.153 42 HZ3 LYS 6 2HZ LYS 6 -5.930 -4.991 -10.594 43 H GLU 7 H GLU 7 -3.812 2.443 -9.394 44 HA GLU 7 HA GLU 7 -3.760 4.802 -11.087 45 HB2 GLU 7 1HB GLU 7 -6.182 4.049 -10.826 46 HB3 GLU 7 2HB GLU 7 -6.024 4.466 -9.126 47 HG2 GLU 7 1HG GLU 7 -6.932 6.387 -9.958 48 HG3 GLU 7 2HG GLU 7 -5.213 6.763 -10.065 49 H LEU 8 H LEU 8 -2.119 5.862 -10.184 50 HA LEU 8 HA LEU 8 -1.991 6.019 -7.247 51 HB2 LEU 8 1HB LEU 8 -0.071 5.091 -8.830 52 HB3 LEU 8 2HB LEU 8 0.318 6.807 -8.940 53 HG LEU 8 HG LEU 8 0.585 6.895 -6.503 54 HD11 LEU 8 1HD1 LEU 8 -0.166 5.305 -5.151 55 HD12 LEU 8 2HD1 LEU 8 0.758 4.070 -6.006 56 HD13 LEU 8 3HD1 LEU 8 -0.861 4.501 -6.558 57 HD21 LEU 8 3HD2 LEU 8 2.606 6.565 -7.615 58 HD22 LEU 8 1HD2 LEU 8 2.186 4.919 -8.090 59 HD23 LEU 8 2HD2 LEU 8 2.581 5.277 -6.409 60 H VAL 9 H VAL 9 -1.645 8.007 -6.245 61 HA VAL 9 HA VAL 9 -1.847 10.391 -7.956 62 HB VAL 9 HB VAL 9 -3.342 11.403 -6.193 63 HG11 VAL 9 1HG1 VAL 9 -4.790 9.075 -7.337 64 HG12 VAL 9 2HG1 VAL 9 -5.214 10.788 -7.345 65 HG13 VAL 9 3HG1 VAL 9 -3.982 10.178 -8.451 66 HG21 VAL 9 3HG2 VAL 9 -4.108 10.241 -4.426 67 HG22 VAL 9 1HG2 VAL 9 -4.279 8.750 -5.353 68 HG23 VAL 9 2HG2 VAL 9 -2.702 9.217 -4.716 69 H LEU 10 H LEU 10 -0.751 12.189 -7.253 70 HA LEU 10 HA LEU 10 0.952 11.798 -4.882 71 HB2 LEU 10 1HB LEU 10 1.856 12.092 -7.349 72 HB3 LEU 10 2HB LEU 10 1.621 13.799 -6.979 73 HG LEU 10 HG LEU 10 3.232 12.054 -5.152 74 HD11 LEU 10 1HD1 LEU 10 4.406 11.608 -7.090 75 HD12 LEU 10 2HD1 LEU 10 5.210 13.060 -6.494 76 HD13 LEU 10 3HD1 LEU 10 4.034 13.177 -7.803 77 HD21 LEU 10 3HD2 LEU 10 4.354 14.553 -5.307 78 HD22 LEU 10 1HD2 LEU 10 3.227 14.006 -4.065 79 HD23 LEU 10 2HD2 LEU 10 2.629 14.890 -5.469 80 H ALA 11 H ALA 11 0.712 13.149 -3.226 81 HA ALA 11 HA ALA 11 -1.312 15.112 -3.174 82 HB1 ALA 11 1HB ALA 11 -0.138 15.768 -0.980 83 HB2 ALA 11 2HB ALA 11 -0.829 14.150 -1.110 84 HB3 ALA 11 3HB ALA 11 0.908 14.384 -1.298 85 H LEU 12 H LEU 12 -1.279 17.290 -3.419 86 HA LEU 12 HA LEU 12 1.220 18.457 -4.428 87 HB2 LEU 12 1HB LEU 12 -1.619 19.428 -4.712 88 HB3 LEU 12 2HB LEU 12 -0.197 20.186 -5.424 89 HG LEU 12 HG LEU 12 -1.320 17.474 -6.126 90 HD11 LEU 12 1HD1 LEU 12 -2.721 18.831 -7.272 91 HD12 LEU 12 2HD1 LEU 12 -1.368 18.871 -8.402 92 HD13 LEU 12 3HD1 LEU 12 -1.599 20.192 -7.257 93 HD21 LEU 12 3HD2 LEU 12 0.503 18.226 -8.060 94 HD22 LEU 12 1HD2 LEU 12 0.749 17.007 -6.809 95 HD23 LEU 12 2HD2 LEU 12 1.295 18.663 -6.546 96 H TYR 13 H TYR 13 -1.253 18.785 -1.986 97 HA TYR 13 HA TYR 13 0.337 20.930 -0.745 98 HB2 TYR 13 1HB TYR 13 -2.679 20.710 -0.813 99 HB3 TYR 13 2HB TYR 13 -1.777 21.896 0.124 100 HD1 TYR 13 HD2 TYR 13 -2.334 20.722 -3.365 101 HD2 TYR 13 HD1 TYR 13 -1.194 23.944 -0.831 102 HE1 TYR 13 HE2 TYR 13 -2.323 22.235 -5.304 103 HE2 TYR 13 HE1 TYR 13 -1.180 25.466 -2.763 104 HH TYR 13 HH TYR 13 -1.576 24.288 -6.033 105 H ASP 14 H ASP 14 -0.148 21.141 1.636 106 HA ASP 14 HA ASP 14 0.025 18.509 2.832 107 HB2 ASP 14 1HB ASP 14 0.524 19.762 4.917 108 HB3 ASP 14 2HB ASP 14 1.588 20.204 3.584 109 H TYR 15 H TYR 15 -1.559 17.473 3.860 110 HA TYR 15 HA TYR 15 -3.933 19.000 4.693 111 HB2 TYR 15 1HB TYR 15 -4.290 17.731 2.540 112 HB3 TYR 15 2HB TYR 15 -4.044 16.247 3.453 113 HD1 TYR 15 HD2 TYR 15 -6.165 19.311 3.389 114 HD2 TYR 15 HD1 TYR 15 -5.858 15.209 4.474 115 HE1 TYR 15 HE2 TYR 15 -8.548 19.300 4.000 116 HE2 TYR 15 HE1 TYR 15 -8.239 15.186 5.087 117 HH TYR 15 HH TYR 15 -10.175 18.135 5.044 118 H GLN 16 H GLN 16 -4.916 18.350 6.577 119 HA GLN 16 HA GLN 16 -3.468 16.303 8.121 120 HB2 GLN 16 1HB GLN 16 -4.189 17.499 10.135 121 HB3 GLN 16 2HB GLN 16 -3.272 18.550 9.064 122 HG2 GLN 16 1HG GLN 16 -6.254 18.510 8.936 123 HG3 GLN 16 2HG GLN 16 -5.426 19.429 10.192 124 HE21 GLN 16 2HE2 GLN 16 -6.519 19.419 7.013 125 HE22 GLN 16 1HE2 GLN 16 -5.754 20.872 6.477 126 H GLU 17 H GLU 17 -4.597 14.743 9.238 127 HA GLU 17 HA GLU 17 -7.357 14.352 8.366 128 HB2 GLU 17 1HB GLU 17 -7.097 12.064 8.970 129 HB3 GLU 17 2HB GLU 17 -5.625 12.538 8.134 130 HG2 GLU 17 1HG GLU 17 -4.576 12.895 10.381 131 HG3 GLU 17 2HG GLU 17 -6.014 12.163 11.090 132 H LYS 18 H LYS 18 -9.075 14.448 9.687 133 HA LYS 18 HA LYS 18 -8.563 15.025 12.528 134 HB2 LYS 18 1HB LYS 18 -9.630 16.869 11.344 135 HB3 LYS 18 2HB LYS 18 -10.906 15.798 10.781 136 HG2 LYS 18 1HG LYS 18 -10.483 16.010 13.707 137 HG3 LYS 18 2HG LYS 18 -11.212 17.386 12.875 138 HD2 LYS 18 1HD LYS 18 -12.679 15.438 11.798 139 HD3 LYS 18 2HD LYS 18 -12.269 14.649 13.322 140 HE2 LYS 18 1HE LYS 18 -13.461 17.410 13.115 141 HE3 LYS 18 2HE LYS 18 -14.409 15.944 13.356 142 HZ1 LYS 18 3HZ LYS 18 -13.409 17.460 15.335 143 HZ2 LYS 18 1HZ LYS 18 -12.217 16.266 15.206 144 HZ3 LYS 18 2HZ LYS 18 -13.824 15.828 15.498 145 H SER 19 H SER 19 -10.720 13.289 10.317 146 HA SER 19 HA SER 19 -11.870 11.807 12.555 147 HB2 SER 19 1HB SER 19 -12.738 10.999 9.887 148 HB3 SER 19 2HB SER 19 -13.694 11.558 11.259 149 HG SER 19 HG SER 19 -13.355 12.878 9.119 150 HA PRO 20 HA PRO 20 -9.543 8.129 12.010 151 HB2 PRO 20 1HB PRO 20 -11.413 6.192 12.357 152 HB3 PRO 20 2HB PRO 20 -10.808 7.192 13.683 153 HG2 PRO 20 1HG PRO 20 -13.337 7.467 12.104 154 HG3 PRO 20 2HG PRO 20 -13.086 7.628 13.852 155 HD2 PRO 20 1HD PRO 20 -13.294 9.768 12.206 156 HD3 PRO 20 2HD PRO 20 -12.282 9.781 13.665 157 H ARG 21 H ARG 21 -12.156 8.817 9.890 158 HA ARG 21 HA ARG 21 -11.618 6.561 8.138 159 HB2 ARG 21 1HB ARG 21 -13.687 8.688 8.307 160 HB3 ARG 21 2HB ARG 21 -13.342 8.032 6.712 161 HG2 ARG 21 1HG ARG 21 -13.964 5.846 7.375 162 HG3 ARG 21 2HG ARG 21 -14.012 6.307 9.078 163 HD2 ARG 21 1HD ARG 21 -15.867 7.242 6.893 164 HD3 ARG 21 2HD ARG 21 -16.262 6.149 8.220 165 HE ARG 21 HE ARG 21 -16.186 9.002 8.309 166 HH11 ARG 21 1HH1 ARG 21 -15.713 6.116 10.198 167 HH12 ARG 21 2HH1 ARG 21 -16.067 6.888 11.707 168 HH21 ARG 21 1HH2 ARG 21 -16.655 10.030 10.291 169 HH22 ARG 21 2HH2 ARG 21 -16.604 9.115 11.759 170 H GLU 22 H GLU 22 -10.820 9.922 8.435 171 HA GLU 22 HA GLU 22 -9.882 10.157 5.705 172 HB2 GLU 22 1HB GLU 22 -9.661 12.048 8.054 173 HB3 GLU 22 2HB GLU 22 -9.156 12.422 6.412 174 HG2 GLU 22 1HG GLU 22 -11.591 11.850 5.780 175 HG3 GLU 22 2HG GLU 22 -11.915 12.060 7.499 176 H VAL 23 H VAL 23 -7.660 10.776 5.207 177 HA VAL 23 HA VAL 23 -5.707 9.655 7.108 178 HB VAL 23 HB VAL 23 -4.389 8.959 5.042 179 HG11 VAL 23 1HG1 VAL 23 -6.556 7.148 4.784 180 HG12 VAL 23 2HG1 VAL 23 -5.065 6.953 5.709 181 HG13 VAL 23 3HG1 VAL 23 -6.486 7.674 6.466 182 HG21 VAL 23 3HG2 VAL 23 -5.503 8.695 2.974 183 HG22 VAL 23 1HG2 VAL 23 -7.072 9.074 3.686 184 HG23 VAL 23 2HG2 VAL 23 -5.856 10.339 3.504 185 H THR 24 H THR 24 -3.594 10.546 7.030 186 HA THR 24 HA THR 24 -3.583 13.351 6.298 187 HB THR 24 HB THR 24 -1.377 11.748 7.603 188 HG1 THR 24 HG1 THR 24 -2.258 12.426 9.545 189 HG21 THR 24 3HG2 THR 24 -0.804 13.966 6.536 190 HG22 THR 24 1HG2 THR 24 -0.452 13.838 8.258 191 HG23 THR 24 2HG2 THR 24 -1.880 14.717 7.713 192 H MET 25 H MET 25 -2.418 14.282 4.696 193 HA MET 25 HA MET 25 -0.451 12.696 3.236 194 HB2 MET 25 1HB MET 25 -1.492 13.407 1.058 195 HB3 MET 25 2HB MET 25 -2.413 12.217 1.968 196 HG2 MET 25 1HG MET 25 -3.905 13.956 2.771 197 HG3 MET 25 2HG MET 25 -2.964 15.175 1.914 198 HE1 MET 25 3HE MET 25 -5.385 15.845 1.202 199 HE2 MET 25 1HE MET 25 -4.343 16.180 -0.181 200 HE3 MET 25 2HE MET 25 -5.909 15.407 -0.424 201 H LYS 26 H LYS 26 1.303 13.880 2.886 202 HA LYS 26 HA LYS 26 1.081 16.802 3.053 203 HB2 LYS 26 1HB LYS 26 2.620 15.970 4.659 204 HB3 LYS 26 2HB LYS 26 3.380 14.902 3.486 205 HG2 LYS 26 1HG LYS 26 4.846 16.740 3.909 206 HG3 LYS 26 2HG LYS 26 4.202 16.904 2.273 207 HD2 LYS 26 1HD LYS 26 3.995 19.056 3.093 208 HD3 LYS 26 2HD LYS 26 2.395 18.384 3.419 209 HE2 LYS 26 1HE LYS 26 2.735 18.316 5.676 210 HE3 LYS 26 2HE LYS 26 4.476 18.090 5.517 211 HZ1 LYS 26 3HZ LYS 26 3.296 20.649 4.694 212 HZ2 LYS 26 1HZ LYS 26 4.841 20.324 5.303 213 HZ3 LYS 26 2HZ LYS 26 3.508 20.344 6.345 214 H LYS 27 H LYS 27 2.062 18.144 1.520 215 HA LYS 27 HA LYS 27 1.799 17.490 -1.135 216 HB2 LYS 27 1HB LYS 27 3.389 19.429 -1.555 217 HB3 LYS 27 2HB LYS 27 1.970 19.782 -0.577 218 HG2 LYS 27 1HG LYS 27 4.144 18.963 1.106 219 HG3 LYS 27 2HG LYS 27 4.649 20.283 0.048 220 HD2 LYS 27 1HD LYS 27 2.109 20.349 1.664 221 HD3 LYS 27 2HD LYS 27 3.649 20.966 2.265 222 HE2 LYS 27 1HE LYS 27 2.433 21.878 -0.331 223 HE3 LYS 27 2HE LYS 27 2.076 22.656 1.210 224 HZ1 LYS 27 3HZ LYS 27 4.562 22.649 -0.336 225 HZ2 LYS 27 1HZ LYS 27 4.678 22.721 1.350 226 HZ3 LYS 27 2HZ LYS 27 3.822 23.913 0.510 227 H GLY 28 H GLY 28 2.727 15.766 -2.066 228 HA2 GLY 28 1HA GLY 28 4.847 15.254 -3.283 229 HA3 GLY 28 2HA GLY 28 5.646 15.446 -1.730 230 H ASP 29 H ASP 29 3.002 14.078 -0.702 231 HA ASP 29 HA ASP 29 4.159 11.485 -0.466 232 HB2 ASP 29 1HB ASP 29 2.510 12.784 1.123 233 HB3 ASP 29 2HB ASP 29 1.275 11.996 0.146 234 H ILE 30 H ILE 30 2.820 9.485 -0.951 235 HA ILE 30 HA ILE 30 1.388 9.745 -3.505 236 HB ILE 30 HB ILE 30 3.509 7.679 -2.907 237 HG12 ILE 30 1HG1 ILE 30 3.476 9.852 -5.010 238 HG13 ILE 30 2HG1 ILE 30 4.336 9.973 -3.479 239 HG21 ILE 30 1HG2 ILE 30 1.287 7.671 -4.732 240 HG22 ILE 30 2HG2 ILE 30 2.813 7.621 -5.614 241 HG23 ILE 30 3HG2 ILE 30 2.461 6.400 -4.392 242 HD11 ILE 30 3HD1 ILE 30 6.045 9.243 -4.749 243 HD12 ILE 30 1HD1 ILE 30 5.353 7.668 -4.361 244 HD13 ILE 30 2HD1 ILE 30 4.987 8.435 -5.906 245 H LEU 31 H LEU 31 -0.533 8.796 -3.439 246 HA LEU 31 HA LEU 31 -0.934 6.548 -1.578 247 HB2 LEU 31 1HB LEU 31 -3.124 8.456 -2.307 248 HB3 LEU 31 2HB LEU 31 -3.031 7.346 -0.941 249 HG LEU 31 HG LEU 31 -0.983 8.976 -0.334 250 HD11 LEU 31 1HD1 LEU 31 -2.946 10.970 -1.343 251 HD12 LEU 31 2HD1 LEU 31 -1.769 10.297 -2.471 252 HD13 LEU 31 3HD1 LEU 31 -1.219 11.141 -1.023 253 HD21 LEU 31 3HD2 LEU 31 -3.632 8.525 0.550 254 HD22 LEU 31 1HD2 LEU 31 -3.347 10.265 0.593 255 HD23 LEU 31 2HD2 LEU 31 -2.269 9.174 1.462 256 H THR 32 H THR 32 -2.750 5.120 -2.171 257 HA THR 32 HA THR 32 -2.757 4.679 -5.059 258 HB THR 32 HB THR 32 -3.861 2.866 -2.908 259 HG1 THR 32 HG1 THR 32 -1.423 3.465 -3.055 260 HG21 THR 32 3HG2 THR 32 -4.023 1.218 -4.530 261 HG22 THR 32 1HG2 THR 32 -2.869 2.012 -5.600 262 HG23 THR 32 2HG2 THR 32 -4.500 2.660 -5.426 263 H LEU 33 H LEU 33 -4.319 5.730 -6.114 264 HA LEU 33 HA LEU 33 -6.720 6.656 -5.024 265 HB2 LEU 33 1HB LEU 33 -5.467 7.167 -7.284 266 HB3 LEU 33 2HB LEU 33 -6.568 5.943 -7.912 267 HG LEU 33 HG LEU 33 -7.520 8.085 -8.345 268 HD11 LEU 33 1HD1 LEU 33 -8.867 6.754 -6.001 269 HD12 LEU 33 2HD1 LEU 33 -9.123 6.408 -7.711 270 HD13 LEU 33 3HD1 LEU 33 -9.620 7.963 -7.042 271 HD21 LEU 33 3HD2 LEU 33 -6.951 9.803 -7.056 272 HD22 LEU 33 1HD2 LEU 33 -6.396 8.730 -5.771 273 HD23 LEU 33 2HD2 LEU 33 -8.093 9.203 -5.853 274 H LEU 34 H LEU 34 -8.182 5.365 -4.102 275 HA LEU 34 HA LEU 34 -8.731 2.729 -5.199 276 HB2 LEU 34 1HB LEU 34 -8.543 3.464 -2.684 277 HB3 LEU 34 2HB LEU 34 -10.237 3.896 -2.905 278 HG LEU 34 HG LEU 34 -9.441 1.166 -3.729 279 HD11 LEU 34 1HD1 LEU 34 -10.022 1.473 -0.853 280 HD12 LEU 34 2HD1 LEU 34 -8.407 1.944 -1.380 281 HD13 LEU 34 3HD1 LEU 34 -8.994 0.310 -1.690 282 HD21 LEU 34 3HD2 LEU 34 -11.660 1.095 -3.836 283 HD22 LEU 34 1HD2 LEU 34 -11.812 2.645 -3.010 284 HD23 LEU 34 2HD2 LEU 34 -11.681 1.157 -2.073 285 H ASN 35 H ASN 35 -10.507 5.728 -4.497 286 HA ASN 35 HA ASN 35 -12.453 4.951 -6.560 287 HB2 ASN 35 1HB ASN 35 -13.482 4.556 -4.373 288 HB3 ASN 35 2HB ASN 35 -13.107 6.206 -3.885 289 HD21 ASN 35 2HD2 ASN 35 -14.629 4.575 -6.649 290 HD22 ASN 35 1HD2 ASN 35 -15.998 5.627 -6.730 291 H SER 36 H SER 36 -12.788 6.465 -8.056 292 HA SER 36 HA SER 36 -12.037 9.244 -7.429 293 HB2 SER 36 1HB SER 36 -10.966 9.509 -9.516 294 HB3 SER 36 2HB SER 36 -10.410 7.940 -8.935 295 HG SER 36 HG SER 36 -11.958 8.561 -11.114 296 H THR 37 H THR 37 -14.617 7.563 -7.689 297 HA THR 37 HA THR 37 -16.090 8.437 -9.896 298 HB THR 37 HB THR 37 -16.806 6.635 -8.322 299 HG1 THR 37 HG1 THR 37 -18.773 6.973 -9.043 300 HG21 THR 37 3HG2 THR 37 -16.373 8.401 -6.337 301 HG22 THR 37 1HG2 THR 37 -17.446 7.011 -6.180 302 HG23 THR 37 2HG2 THR 37 -18.112 8.602 -6.546 303 H ASN 38 H ASN 38 -15.271 10.042 -6.915 304 HA ASN 38 HA ASN 38 -17.132 12.226 -7.453 305 HB2 ASN 38 1HB ASN 38 -15.709 11.211 -5.105 306 HB3 ASN 38 2HB ASN 38 -15.653 12.966 -5.242 307 HD21 ASN 38 2HD2 ASN 38 -17.465 14.145 -4.883 308 HD22 ASN 38 1HD2 ASN 38 -18.965 13.466 -4.361 309 H LYS 39 H LYS 39 -16.085 14.481 -6.876 310 HA LYS 39 HA LYS 39 -13.586 14.706 -8.424 311 HB2 LYS 39 1HB LYS 39 -16.043 16.447 -8.423 312 HB3 LYS 39 2HB LYS 39 -14.489 17.047 -8.987 313 HG2 LYS 39 1HG LYS 39 -14.419 15.252 -10.660 314 HG3 LYS 39 2HG LYS 39 -16.002 14.696 -10.109 315 HD2 LYS 39 1HD LYS 39 -16.514 16.015 -11.956 316 HD3 LYS 39 2HD LYS 39 -16.769 17.112 -10.596 317 HE2 LYS 39 1HE LYS 39 -14.894 18.352 -11.071 318 HE3 LYS 39 2HE LYS 39 -14.082 17.012 -11.880 319 HZ1 LYS 39 3HZ LYS 39 -16.371 17.600 -13.346 320 HZ2 LYS 39 1HZ LYS 39 -14.759 17.845 -13.799 321 HZ3 LYS 39 2HZ LYS 39 -15.615 19.077 -13.018 322 H ASP 40 H ASP 40 -15.457 15.813 -5.682 323 HA ASP 40 HA ASP 40 -13.380 17.665 -4.842 324 HB2 ASP 40 1HB ASP 40 -15.916 16.880 -3.394 325 HB3 ASP 40 2HB ASP 40 -14.883 18.262 -3.039 326 H TRP 41 H TRP 41 -15.001 14.808 -3.453 327 HA TRP 41 HA TRP 41 -12.701 14.438 -1.671 328 HB2 TRP 41 1HB TRP 41 -15.507 13.325 -1.621 329 HB3 TRP 41 2HB TRP 41 -14.231 12.752 -0.550 330 HD1 TRP 41 HD1 TRP 41 -16.883 15.319 -0.770 331 HE1 TRP 41 HE1 TRP 41 -16.650 17.023 1.144 332 HE3 TRP 41 HE3 TRP 41 -12.203 14.069 0.862 333 HZ2 TRP 41 HZ2 TRP 41 -14.734 17.743 3.088 334 HZ3 TRP 41 HZ3 TRP 41 -11.242 15.314 2.754 335 HH2 TRP 41 HH2 TRP 41 -12.483 17.113 3.842 336 H TRP 42 H TRP 42 -11.229 12.940 -2.102 337 HA TRP 42 HA TRP 42 -11.948 10.768 -3.961 338 HB2 TRP 42 1HB TRP 42 -9.518 12.476 -3.735 339 HB3 TRP 42 2HB TRP 42 -9.291 10.794 -4.207 340 HD1 TRP 42 HD1 TRP 42 -12.521 12.052 -5.509 341 HE1 TRP 42 HE1 TRP 42 -12.319 12.624 -8.010 342 HE3 TRP 42 HE3 TRP 42 -7.431 11.900 -5.968 343 HZ2 TRP 42 HZ2 TRP 42 -10.273 12.965 -9.925 344 HZ3 TRP 42 HZ3 TRP 42 -6.432 12.361 -8.169 345 HH2 TRP 42 HH2 TRP 42 -7.825 12.882 -10.105 346 H LYS 43 H LYS 43 -11.486 8.696 -3.406 347 HA LYS 43 HA LYS 43 -10.552 8.263 -0.664 348 HB2 LYS 43 1HB LYS 43 -11.729 6.156 -2.458 349 HB3 LYS 43 2HB LYS 43 -11.679 6.195 -0.701 350 HG2 LYS 43 1HG LYS 43 -13.192 8.262 -0.912 351 HG3 LYS 43 2HG LYS 43 -13.464 7.708 -2.566 352 HD2 LYS 43 1HD LYS 43 -13.956 5.417 -1.395 353 HD3 LYS 43 2HD LYS 43 -14.242 6.433 0.020 354 HE2 LYS 43 1HE LYS 43 -15.654 6.523 -2.638 355 HE3 LYS 43 2HE LYS 43 -16.338 6.116 -1.065 356 HZ1 LYS 43 3HZ LYS 43 -15.317 8.594 -0.675 357 HZ2 LYS 43 1HZ LYS 43 -16.940 8.245 -0.998 358 HZ3 LYS 43 2HZ LYS 43 -15.905 8.691 -2.258 359 H VAL 44 H VAL 44 -8.446 7.896 -0.459 360 HA VAL 44 HA VAL 44 -7.123 6.184 -2.463 361 HB VAL 44 HB VAL 44 -4.993 7.419 -1.646 362 HG11 VAL 44 1HG1 VAL 44 -5.481 7.723 -3.873 363 HG12 VAL 44 2HG1 VAL 44 -7.074 8.407 -3.543 364 HG13 VAL 44 3HG1 VAL 44 -5.624 9.372 -3.267 365 HG21 VAL 44 3HG2 VAL 44 -6.055 8.607 0.207 366 HG22 VAL 44 1HG2 VAL 44 -5.372 9.736 -0.963 367 HG23 VAL 44 2HG2 VAL 44 -7.111 9.446 -0.928 368 H GLU 45 H GLU 45 -5.496 4.761 -1.704 369 HA GLU 45 HA GLU 45 -5.893 3.969 1.088 370 HB2 GLU 45 1HB GLU 45 -6.185 2.345 -0.863 371 HB3 GLU 45 2HB GLU 45 -4.436 2.397 -1.029 372 HG2 GLU 45 1HG GLU 45 -4.075 1.284 0.949 373 HG3 GLU 45 2HG GLU 45 -5.632 1.759 1.624 374 H VAL 46 H VAL 46 -4.278 3.931 2.566 375 HA VAL 46 HA VAL 46 -1.628 4.869 1.674 376 HB VAL 46 HB VAL 46 -1.366 5.858 3.942 377 HG11 VAL 46 1HG1 VAL 46 -3.641 6.832 2.226 378 HG12 VAL 46 2HG1 VAL 46 -2.940 7.768 3.548 379 HG13 VAL 46 3HG1 VAL 46 -1.950 7.325 2.156 380 HG21 VAL 46 3HG2 VAL 46 -3.250 4.321 4.853 381 HG22 VAL 46 1HG2 VAL 46 -3.073 5.951 5.502 382 HG23 VAL 46 2HG2 VAL 46 -4.325 5.609 4.308 383 H LYS 47 H LYS 47 -0.001 4.427 3.635 384 HA LYS 47 HA LYS 47 -0.335 1.598 4.392 385 HB2 LYS 47 1HB LYS 47 1.428 2.285 2.573 386 HB3 LYS 47 2HB LYS 47 2.372 2.807 3.962 387 HG2 LYS 47 1HG LYS 47 1.266 0.132 4.276 388 HG3 LYS 47 2HG LYS 47 2.346 0.286 2.889 389 HD2 LYS 47 1HD LYS 47 3.934 -0.129 4.446 390 HD3 LYS 47 2HD LYS 47 3.785 1.606 4.738 391 HE2 LYS 47 1HE LYS 47 2.429 1.276 6.630 392 HE3 LYS 47 2HE LYS 47 2.102 -0.403 6.206 393 HZ1 LYS 47 3HZ LYS 47 4.380 0.749 7.581 394 HZ2 LYS 47 1HZ LYS 47 4.753 -0.449 6.447 395 HZ3 LYS 47 2HZ LYS 47 3.695 -0.791 7.721 396 H ILE 48 H ILE 48 -0.423 1.302 6.510 397 HA ILE 48 HA ILE 48 0.884 3.278 8.263 398 HB ILE 48 HB ILE 48 -1.503 1.523 8.851 399 HG12 ILE 48 1HG1 ILE 48 -2.463 3.962 9.187 400 HG13 ILE 48 2HG1 ILE 48 -1.159 4.394 8.086 401 HG21 ILE 48 1HG2 ILE 48 0.156 3.326 10.564 402 HG22 ILE 48 2HG2 ILE 48 -1.555 3.091 10.917 403 HG23 ILE 48 3HG2 ILE 48 -0.460 1.709 10.907 404 HD11 ILE 48 3HD1 ILE 48 -3.572 3.795 7.224 405 HD12 ILE 48 1HD1 ILE 48 -2.127 3.350 6.315 406 HD13 ILE 48 2HD1 ILE 48 -2.941 2.152 7.322 407 H THR 49 H THR 49 2.171 2.587 9.933 408 HA THR 49 HA THR 49 2.947 -0.246 9.841 409 HB THR 49 HB THR 49 4.521 1.994 11.111 410 HG1 THR 49 HG1 THR 49 4.375 2.501 8.936 411 HG21 THR 49 3HG2 THR 49 6.161 0.477 11.458 412 HG22 THR 49 1HG2 THR 49 5.836 -0.374 9.949 413 HG23 THR 49 2HG2 THR 49 4.836 -0.684 11.368 414 H VAL 50 H VAL 50 2.098 -1.467 11.387 415 HA VAL 50 HA VAL 50 1.769 -0.301 14.076 416 HB VAL 50 HB VAL 50 0.027 -2.414 12.799 417 HG11 VAL 50 1HG1 VAL 50 0.312 -2.673 15.232 418 HG12 VAL 50 2HG1 VAL 50 -0.255 -1.018 15.458 419 HG13 VAL 50 3HG1 VAL 50 -1.339 -2.239 14.792 420 HG21 VAL 50 3HG2 VAL 50 -0.462 -0.304 11.791 421 HG22 VAL 50 1HG2 VAL 50 -1.735 -0.644 12.964 422 HG23 VAL 50 2HG2 VAL 50 -0.458 0.508 13.356 423 H ASN 51 H ASN 51 3.283 -1.125 15.360 424 HA ASN 51 HA ASN 51 4.673 -2.590 16.407 425 HB2 ASN 51 1HB ASN 51 2.319 -4.290 15.682 426 HB3 ASN 51 2HB ASN 51 3.752 -5.060 16.357 427 HD21 ASN 51 2HD2 ASN 51 0.873 -4.243 17.249 428 HD22 ASN 51 1HD2 ASN 51 1.139 -3.650 18.850 429 H GLY 52 H GLY 52 4.916 -2.084 13.459 430 HA2 GLY 52 1HA GLY 52 6.736 -2.676 12.089 431 HA3 GLY 52 2HA GLY 52 6.874 -4.193 12.965 432 H LYS 53 H LYS 53 3.687 -3.891 12.353 433 HA LYS 53 HA LYS 53 3.869 -5.665 10.041 434 HB2 LYS 53 1HB LYS 53 2.491 -6.530 11.771 435 HB3 LYS 53 2HB LYS 53 1.648 -4.999 11.966 436 HG2 LYS 53 1HG LYS 53 0.140 -5.536 10.430 437 HG3 LYS 53 2HG LYS 53 1.384 -6.019 9.274 438 HD2 LYS 53 1HD LYS 53 -0.086 -7.891 9.804 439 HD3 LYS 53 2HD LYS 53 1.555 -8.201 10.374 440 HE2 LYS 53 1HE LYS 53 -0.156 -8.861 12.018 441 HE3 LYS 53 2HE LYS 53 0.920 -7.607 12.631 442 HZ1 LYS 53 3HZ LYS 53 -1.528 -7.299 13.070 443 HZ2 LYS 53 1HZ LYS 53 -1.707 -6.981 11.418 444 HZ3 LYS 53 2HZ LYS 53 -0.732 -5.980 12.371 445 H THR 54 H THR 54 3.177 -5.153 8.042 446 HA THR 54 HA THR 54 2.646 -2.407 7.431 447 HB THR 54 HB THR 54 2.046 -4.149 5.219 448 HG1 THR 54 HG1 THR 54 4.231 -5.081 5.166 449 HG21 THR 54 3HG2 THR 54 4.048 -3.002 4.264 450 HG22 THR 54 1HG2 THR 54 4.307 -2.245 5.835 451 HG23 THR 54 2HG2 THR 54 2.839 -1.899 4.920 452 H TYR 55 H TYR 55 0.737 -1.432 7.407 453 HA TYR 55 HA TYR 55 -1.683 -3.087 7.098 454 HB2 TYR 55 1HB TYR 55 -1.002 -0.941 9.019 455 HB3 TYR 55 2HB TYR 55 -2.632 -0.890 8.355 456 HD1 TYR 55 HD2 TYR 55 -3.893 -3.225 8.393 457 HD2 TYR 55 HD1 TYR 55 -0.642 -2.182 10.932 458 HE1 TYR 55 HE2 TYR 55 -4.607 -4.942 10.002 459 HE2 TYR 55 HE1 TYR 55 -1.346 -3.897 12.548 460 HH TYR 55 HH TYR 55 -3.786 -5.060 13.052 461 H GLU 56 H GLU 56 -3.532 -2.006 6.116 462 HA GLU 56 HA GLU 56 -2.905 0.339 4.489 463 HB2 GLU 56 1HB GLU 56 -4.024 -2.209 3.309 464 HB3 GLU 56 2HB GLU 56 -3.725 -0.707 2.446 465 HG2 GLU 56 1HG GLU 56 -1.889 -1.944 1.865 466 HG3 GLU 56 2HG GLU 56 -1.278 -1.041 3.250 467 H ARG 57 H ARG 57 -4.710 1.530 3.828 468 HA ARG 57 HA ARG 57 -7.384 0.651 4.267 469 HB2 ARG 57 1HB ARG 57 -7.926 2.304 6.057 470 HB3 ARG 57 2HB ARG 57 -6.884 0.993 6.591 471 HG2 ARG 57 1HG ARG 57 -5.118 2.358 6.960 472 HG3 ARG 57 2HG ARG 57 -5.548 3.453 5.644 473 HD2 ARG 57 1HD ARG 57 -5.782 4.470 7.894 474 HD3 ARG 57 2HD ARG 57 -7.284 4.452 6.971 475 HE ARG 57 HE ARG 57 -8.197 3.092 8.564 476 HH11 ARG 57 1HH1 ARG 57 -4.732 3.048 8.892 477 HH12 ARG 57 2HH1 ARG 57 -4.752 2.132 10.363 478 HH21 ARG 57 1HH2 ARG 57 -8.237 1.885 10.499 479 HH22 ARG 57 2HH2 ARG 57 -6.747 1.470 11.275 480 H GLN 58 H GLN 58 -8.898 2.043 3.372 481 HA GLN 58 HA GLN 58 -7.761 4.167 1.722 482 HB2 GLN 58 1HB GLN 58 -9.684 3.992 0.361 483 HB3 GLN 58 2HB GLN 58 -9.257 2.339 0.783 484 HG2 GLN 58 1HG GLN 58 -10.992 2.289 2.469 485 HG3 GLN 58 2HG GLN 58 -11.389 3.974 2.138 486 HE21 GLN 58 2HE2 GLN 58 -11.394 4.082 -0.560 487 HE22 GLN 58 1HE2 GLN 58 -12.628 3.059 -1.203 488 H GLY 59 H GLY 59 -8.249 6.289 1.933 489 HA2 GLY 59 1HA GLY 59 -10.319 7.037 3.892 490 HA3 GLY 59 2HA GLY 59 -8.702 7.714 4.022 491 H PHE 60 H PHE 60 -11.111 9.202 3.704 492 HA PHE 60 HA PHE 60 -11.206 10.077 0.947 493 HB2 PHE 60 1HB PHE 60 -12.555 11.434 3.273 494 HB3 PHE 60 2HB PHE 60 -13.040 11.427 1.581 495 HD1 PHE 60 HD2 PHE 60 -14.177 9.509 0.619 496 HD2 PHE 60 HD1 PHE 60 -13.072 9.592 4.729 497 HE1 PHE 60 HE2 PHE 60 -15.679 7.610 1.058 498 HE2 PHE 60 HE1 PHE 60 -14.572 7.692 5.174 499 HZ PHE 60 HZ PHE 60 -15.879 6.700 3.337 500 H VAL 61 H VAL 61 -10.458 11.996 0.133 501 HA VAL 61 HA VAL 61 -9.233 13.962 1.872 502 HB VAL 61 HB VAL 61 -7.088 13.886 0.476 503 HG11 VAL 61 1HG1 VAL 61 -7.589 11.570 2.340 504 HG12 VAL 61 2HG1 VAL 61 -6.041 12.339 1.988 505 HG13 VAL 61 3HG1 VAL 61 -7.289 13.227 2.863 506 HG21 VAL 61 3HG2 VAL 61 -6.482 11.778 -0.516 507 HG22 VAL 61 1HG2 VAL 61 -8.009 11.056 -0.009 508 HG23 VAL 61 2HG2 VAL 61 -7.997 12.329 -1.230 509 HA PRO 62 HA PRO 62 -10.472 16.733 -1.299 510 HB2 PRO 62 1HB PRO 62 -8.606 18.691 -1.064 511 HB3 PRO 62 2HB PRO 62 -9.891 18.441 0.124 512 HG2 PRO 62 1HG PRO 62 -7.030 17.565 0.217 513 HG3 PRO 62 2HG PRO 62 -8.026 18.271 1.503 514 HD2 PRO 62 1HD PRO 62 -7.535 15.613 1.331 515 HD3 PRO 62 2HD PRO 62 -9.055 16.264 1.978 516 H ALA 63 H ALA 63 -10.245 15.994 -3.338 517 HA ALA 63 HA ALA 63 -7.844 15.180 -4.542 518 HB1 ALA 63 1HB ALA 63 -10.178 14.590 -5.273 519 HB2 ALA 63 2HB ALA 63 -10.268 16.188 -6.015 520 HB3 ALA 63 3HB ALA 63 -9.065 15.024 -6.571 521 H ALA 64 H ALA 64 -9.342 18.309 -4.233 522 HA ALA 64 HA ALA 64 -7.936 19.643 -6.292 523 HB1 ALA 64 1HB ALA 64 -8.662 21.688 -5.242 524 HB2 ALA 64 2HB ALA 64 -9.981 20.517 -5.211 525 HB3 ALA 64 3HB ALA 64 -9.043 20.828 -3.750 526 H TYR 65 H TYR 65 -6.898 18.382 -3.332 527 HA TYR 65 HA TYR 65 -4.600 20.207 -3.206 528 HB2 TYR 65 1HB TYR 65 -5.980 18.476 -1.200 529 HB3 TYR 65 2HB TYR 65 -4.267 18.818 -0.979 530 HD1 TYR 65 HD2 TYR 65 -6.911 21.061 -2.328 531 HD2 TYR 65 HD1 TYR 65 -4.234 20.241 0.877 532 HE1 TYR 65 HE2 TYR 65 -7.479 23.225 -1.307 533 HE2 TYR 65 HE1 TYR 65 -4.796 22.403 1.907 534 HH TYR 65 HH TYR 65 -5.873 24.825 0.629 535 H VAL 66 H VAL 66 -5.347 17.493 -4.746 536 HA VAL 66 HA VAL 66 -2.585 16.522 -4.668 537 HB VAL 66 HB VAL 66 -3.242 14.203 -4.598 538 HG11 VAL 66 1HG1 VAL 66 -3.543 14.078 -2.348 539 HG12 VAL 66 2HG1 VAL 66 -3.184 15.802 -2.469 540 HG13 VAL 66 3HG1 VAL 66 -4.857 15.254 -2.346 541 HG21 VAL 66 3HG2 VAL 66 -5.250 13.764 -5.509 542 HG22 VAL 66 1HG2 VAL 66 -5.854 14.015 -3.870 543 HG23 VAL 66 2HG2 VAL 66 -5.915 15.330 -5.044 544 H LYS 67 H LYS 67 -2.373 14.735 -6.471 545 HA LYS 67 HA LYS 67 -3.998 15.383 -8.810 546 HB2 LYS 67 1HB LYS 67 -2.119 15.877 -10.213 547 HB3 LYS 67 2HB LYS 67 -2.017 16.917 -8.797 548 HG2 LYS 67 1HG LYS 67 -0.310 15.524 -7.834 549 HG3 LYS 67 2HG LYS 67 -0.479 14.352 -9.143 550 HD2 LYS 67 1HD LYS 67 0.170 17.196 -9.787 551 HD3 LYS 67 2HD LYS 67 1.444 16.126 -9.196 552 HE2 LYS 67 1HE LYS 67 0.785 14.517 -11.012 553 HE3 LYS 67 2HE LYS 67 -0.263 15.780 -11.655 554 HZ1 LYS 67 3HZ LYS 67 1.765 17.211 -11.765 555 HZ2 LYS 67 1HZ LYS 67 1.773 15.891 -12.824 556 HZ3 LYS 67 2HZ LYS 67 2.690 15.841 -11.403 557 H LYS 68 H LYS 68 -3.269 13.947 -10.717 558 HA LYS 68 HA LYS 68 -2.819 11.241 -9.655 559 HB2 LYS 68 1HB LYS 68 -4.961 11.429 -10.725 560 HB3 LYS 68 2HB LYS 68 -4.248 12.197 -12.137 561 HG2 LYS 68 1HG LYS 68 -3.186 9.535 -11.493 562 HG3 LYS 68 2HG LYS 68 -4.882 9.580 -11.981 563 HD2 LYS 68 1HD LYS 68 -3.813 11.204 -13.845 564 HD3 LYS 68 2HD LYS 68 -2.438 10.139 -13.542 565 HE2 LYS 68 1HE LYS 68 -3.867 8.192 -13.970 566 HE3 LYS 68 2HE LYS 68 -5.229 9.265 -14.287 567 HZ1 LYS 68 3HZ LYS 68 -4.213 10.080 -16.221 568 HZ2 LYS 68 1HZ LYS 68 -3.982 8.406 -16.285 569 HZ3 LYS 68 2HZ LYS 68 -2.707 9.418 -15.828 570 H LEU 69 H LEU 69 -1.343 9.862 -10.622 571 HA LEU 69 HA LEU 69 0.686 11.201 -12.259 572 HB2 LEU 69 1HB LEU 69 0.786 8.632 -10.686 573 HB3 LEU 69 2HB LEU 69 2.120 9.281 -11.637 574 HG LEU 69 HG LEU 69 1.666 11.378 -10.025 575 HD11 LEU 69 1HD1 LEU 69 1.452 10.150 -7.708 576 HD12 LEU 69 2HD1 LEU 69 0.528 8.991 -8.663 577 HD13 LEU 69 3HD1 LEU 69 0.024 10.680 -8.597 578 HD21 LEU 69 3HD2 LEU 69 3.301 8.946 -9.307 579 HD22 LEU 69 1HD2 LEU 69 3.532 10.577 -8.677 580 HD23 LEU 69 2HD2 LEU 69 3.803 10.246 -10.388 581 H ASP 70 H ASP 70 -1.188 8.188 -12.117 582 HA ASP 70 HA ASP 70 -1.657 8.077 -14.876 583 HB2 ASP 70 1HB ASP 70 0.582 7.559 -15.331 584 HB3 ASP 70 2HB ASP 70 0.738 6.549 -13.896 Start of MODEL 16 1 H1 MET 1 H MET 1 3.893 -8.866 -6.544 2 HA MET 1 HA MET 1 5.292 -6.301 -6.347 3 HB2 MET 1 1HB MET 1 5.177 -8.380 -8.533 4 HB3 MET 1 2HB MET 1 5.975 -6.824 -8.719 5 HG2 MET 1 1HG MET 1 7.748 -8.120 -8.132 6 HG3 MET 1 2HG MET 1 7.231 -7.563 -6.543 7 HE1 MET 1 3HE MET 1 8.442 -11.255 -5.910 8 HE2 MET 1 1HE MET 1 9.127 -10.037 -6.986 9 HE3 MET 1 2HE MET 1 8.585 -9.582 -5.371 10 H ASP 2 H ASP 2 2.918 -5.553 -5.941 11 HA ASP 2 HA ASP 2 1.615 -4.979 -8.515 12 HB2 ASP 2 1HB ASP 2 0.487 -4.830 -5.710 13 HB3 ASP 2 2HB ASP 2 -0.402 -4.475 -7.189 14 H GLU 3 H GLU 3 3.914 -3.538 -7.825 15 HA GLU 3 HA GLU 3 2.867 -0.918 -7.000 16 HB2 GLU 3 1HB GLU 3 5.272 -0.305 -6.708 17 HB3 GLU 3 2HB GLU 3 4.728 -1.601 -5.652 18 HG2 GLU 3 1HG GLU 3 5.812 -3.248 -6.999 19 HG3 GLU 3 2HG GLU 3 6.198 -2.053 -8.236 20 H THR 4 H THR 4 2.389 -1.999 -9.622 21 HA THR 4 HA THR 4 4.204 -0.807 -11.486 22 HB THR 4 HB THR 4 2.826 -2.778 -12.070 23 HG1 THR 4 HG1 THR 4 2.174 -0.544 -13.712 24 HG21 THR 4 3HG2 THR 4 0.455 -1.011 -12.463 25 HG22 THR 4 1HG2 THR 4 0.768 -1.668 -10.857 26 HG23 THR 4 2HG2 THR 4 0.531 -2.756 -12.225 27 H GLY 5 H GLY 5 1.424 0.271 -9.732 28 HA2 GLY 5 1HA GLY 5 0.875 2.550 -9.451 29 HA3 GLY 5 2HA GLY 5 1.724 2.916 -10.945 30 H LYS 6 H LYS 6 -0.924 0.675 -10.133 31 HA LYS 6 HA LYS 6 -2.299 0.857 -12.511 32 HB2 LYS 6 1HB LYS 6 -4.361 0.332 -11.053 33 HB3 LYS 6 2HB LYS 6 -3.029 -0.816 -11.052 34 HG2 LYS 6 1HG LYS 6 -2.830 1.245 -8.987 35 HG3 LYS 6 2HG LYS 6 -4.237 0.191 -8.833 36 HD2 LYS 6 1HD LYS 6 -1.742 -1.216 -9.451 37 HD3 LYS 6 2HD LYS 6 -1.735 -0.379 -7.897 38 HE2 LYS 6 1HE LYS 6 -2.572 -2.484 -7.370 39 HE3 LYS 6 2HE LYS 6 -4.025 -1.498 -7.530 40 HZ1 LYS 6 3HZ LYS 6 -3.011 -2.964 -9.867 41 HZ2 LYS 6 1HZ LYS 6 -4.594 -2.494 -9.501 42 HZ3 LYS 6 2HZ LYS 6 -3.890 -3.797 -8.686 43 H GLU 7 H GLU 7 -2.464 2.994 -9.713 44 HA GLU 7 HA GLU 7 -3.322 5.203 -11.247 45 HB2 GLU 7 1HB GLU 7 -5.573 5.497 -10.228 46 HB3 GLU 7 2HB GLU 7 -5.469 4.116 -11.312 47 HG2 GLU 7 1HG GLU 7 -4.990 2.780 -9.138 48 HG3 GLU 7 2HG GLU 7 -5.718 4.173 -8.341 49 H LEU 8 H LEU 8 -1.276 5.431 -9.829 50 HA LEU 8 HA LEU 8 -1.795 6.067 -7.054 51 HB2 LEU 8 1HB LEU 8 0.636 6.035 -8.799 52 HB3 LEU 8 2HB LEU 8 0.676 6.834 -7.229 53 HG LEU 8 HG LEU 8 -0.147 3.959 -7.510 54 HD11 LEU 8 1HD1 LEU 8 2.641 4.747 -6.793 55 HD12 LEU 8 2HD1 LEU 8 2.185 4.570 -8.487 56 HD13 LEU 8 3HD1 LEU 8 2.026 3.204 -7.383 57 HD21 LEU 8 3HD2 LEU 8 -0.618 4.410 -5.359 58 HD22 LEU 8 1HD2 LEU 8 0.399 5.851 -5.331 59 HD23 LEU 8 2HD2 LEU 8 1.125 4.256 -5.134 60 H VAL 9 H VAL 9 -1.907 8.068 -6.153 61 HA VAL 9 HA VAL 9 -1.832 10.360 -8.007 62 HB VAL 9 HB VAL 9 -3.455 11.454 -6.428 63 HG11 VAL 9 1HG1 VAL 9 -3.962 10.099 -8.607 64 HG12 VAL 9 2HG1 VAL 9 -4.723 8.970 -7.485 65 HG13 VAL 9 3HG1 VAL 9 -5.279 10.642 -7.569 66 HG21 VAL 9 3HG2 VAL 9 -4.374 8.859 -5.410 67 HG22 VAL 9 1HG2 VAL 9 -2.843 9.420 -4.738 68 HG23 VAL 9 2HG2 VAL 9 -4.285 10.427 -4.608 69 H LEU 10 H LEU 10 -0.732 12.171 -7.408 70 HA LEU 10 HA LEU 10 0.863 11.961 -4.950 71 HB2 LEU 10 1HB LEU 10 2.181 12.109 -6.960 72 HB3 LEU 10 2HB LEU 10 1.298 13.544 -7.477 73 HG LEU 10 HG LEU 10 2.265 14.508 -5.205 74 HD11 LEU 10 1HD1 LEU 10 4.414 12.562 -6.010 75 HD12 LEU 10 2HD1 LEU 10 3.314 12.294 -4.659 76 HD13 LEU 10 3HD1 LEU 10 4.414 13.673 -4.640 77 HD21 LEU 10 3HD2 LEU 10 3.035 14.563 -7.968 78 HD22 LEU 10 1HD2 LEU 10 4.460 14.709 -6.939 79 HD23 LEU 10 2HD2 LEU 10 3.122 15.843 -6.757 80 H ALA 11 H ALA 11 0.850 13.544 -3.422 81 HA ALA 11 HA ALA 11 -1.349 15.432 -3.529 82 HB1 ALA 11 1HB ALA 11 -1.140 14.289 -1.471 83 HB2 ALA 11 2HB ALA 11 0.583 14.653 -1.360 84 HB3 ALA 11 3HB ALA 11 -0.605 15.943 -1.170 85 H LEU 12 H LEU 12 -1.186 17.546 -3.938 86 HA LEU 12 HA LEU 12 1.467 18.647 -4.468 87 HB2 LEU 12 1HB LEU 12 -1.221 19.892 -5.009 88 HB3 LEU 12 2HB LEU 12 0.339 20.408 -5.645 89 HG LEU 12 HG LEU 12 -0.801 17.707 -6.296 90 HD11 LEU 12 1HD1 LEU 12 -2.066 20.094 -6.935 91 HD12 LEU 12 2HD1 LEU 12 -2.303 18.528 -7.712 92 HD13 LEU 12 3HD1 LEU 12 -1.145 19.678 -8.381 93 HD21 LEU 12 3HD2 LEU 12 1.273 19.521 -7.501 94 HD22 LEU 12 1HD2 LEU 12 0.590 18.144 -8.367 95 HD23 LEU 12 2HD2 LEU 12 1.480 17.887 -6.867 96 H TYR 13 H TYR 13 -1.206 18.951 -2.270 97 HA TYR 13 HA TYR 13 0.216 21.134 -0.892 98 HB2 TYR 13 1HB TYR 13 -2.756 20.604 -1.061 99 HB3 TYR 13 2HB TYR 13 -2.028 21.786 0.022 100 HD1 TYR 13 HD2 TYR 13 -2.731 20.963 -3.493 101 HD2 TYR 13 HD1 TYR 13 -1.210 23.890 -0.806 102 HE1 TYR 13 HE2 TYR 13 -2.806 22.642 -5.289 103 HE2 TYR 13 HE1 TYR 13 -1.282 25.577 -2.593 104 HH TYR 13 HH TYR 13 -2.489 25.960 -4.716 105 H ASP 14 H ASP 14 -0.520 21.226 1.508 106 HA ASP 14 HA ASP 14 -0.113 18.539 2.598 107 HB2 ASP 14 1HB ASP 14 0.379 19.812 4.732 108 HB3 ASP 14 2HB ASP 14 1.500 20.096 3.403 109 H TYR 15 H TYR 15 -1.624 17.490 3.733 110 HA TYR 15 HA TYR 15 -3.968 18.991 4.681 111 HB2 TYR 15 1HB TYR 15 -4.369 17.733 2.496 112 HB3 TYR 15 2HB TYR 15 -4.184 16.254 3.432 113 HD1 TYR 15 HD1 TYR 15 -6.162 19.412 3.320 114 HD2 TYR 15 HD2 TYR 15 -6.031 15.327 4.503 115 HE1 TYR 15 HE1 TYR 15 -8.536 19.525 3.952 116 HE2 TYR 15 HE2 TYR 15 -8.405 15.428 5.137 117 HH TYR 15 HH TYR 15 -10.014 17.688 5.884 118 H GLN 16 H GLN 16 -5.110 18.008 6.437 119 HA GLN 16 HA GLN 16 -3.528 16.006 7.908 120 HB2 GLN 16 1HB GLN 16 -4.122 17.123 9.992 121 HB3 GLN 16 2HB GLN 16 -3.279 18.231 8.917 122 HG2 GLN 16 1HG GLN 16 -6.269 18.150 9.023 123 HG3 GLN 16 2HG GLN 16 -5.332 19.080 10.191 124 HE21 GLN 16 2HE2 GLN 16 -6.883 19.192 7.279 125 HE22 GLN 16 1HE2 GLN 16 -6.136 20.601 6.615 126 H GLU 17 H GLU 17 -4.697 14.575 9.273 127 HA GLU 17 HA GLU 17 -7.444 14.141 8.354 128 HB2 GLU 17 1HB GLU 17 -7.202 11.876 8.999 129 HB3 GLU 17 2HB GLU 17 -5.692 12.315 8.212 130 HG2 GLU 17 1HG GLU 17 -4.770 12.750 10.526 131 HG3 GLU 17 2HG GLU 17 -6.219 11.959 11.145 132 H LYS 18 H LYS 18 -9.170 14.245 9.676 133 HA LYS 18 HA LYS 18 -8.659 14.910 12.500 134 HB2 LYS 18 1HB LYS 18 -10.789 16.130 12.461 135 HB3 LYS 18 2HB LYS 18 -9.669 16.753 11.256 136 HG2 LYS 18 1HG LYS 18 -10.868 15.803 9.484 137 HG3 LYS 18 2HG LYS 18 -11.773 14.733 10.558 138 HD2 LYS 18 1HD LYS 18 -11.994 17.732 10.686 139 HD3 LYS 18 2HD LYS 18 -13.025 16.744 9.648 140 HE2 LYS 18 1HE LYS 18 -13.777 15.491 11.628 141 HE3 LYS 18 2HE LYS 18 -12.777 16.524 12.648 142 HZ1 LYS 18 3HZ LYS 18 -14.084 18.433 11.884 143 HZ2 LYS 18 1HZ LYS 18 -15.047 17.285 12.668 144 HZ3 LYS 18 2HZ LYS 18 -15.074 17.400 10.981 145 H SER 19 H SER 19 -10.304 12.804 10.310 146 HA SER 19 HA SER 19 -11.708 11.528 12.563 147 HB2 SER 19 1HB SER 19 -12.474 10.680 9.856 148 HB3 SER 19 2HB SER 19 -13.488 11.146 11.222 149 HG SER 19 HG SER 19 -13.770 12.938 10.178 150 HA PRO 20 HA PRO 20 -9.336 7.858 12.189 151 HB2 PRO 20 1HB PRO 20 -11.196 5.914 12.552 152 HB3 PRO 20 2HB PRO 20 -10.633 6.960 13.860 153 HG2 PRO 20 1HG PRO 20 -13.125 7.162 12.214 154 HG3 PRO 20 2HG PRO 20 -12.918 7.380 13.962 155 HD2 PRO 20 1HD PRO 20 -13.106 9.466 12.245 156 HD3 PRO 20 2HD PRO 20 -12.129 9.533 13.726 157 H ARG 21 H ARG 21 -11.748 8.585 9.920 158 HA ARG 21 HA ARG 21 -11.119 6.259 8.251 159 HB2 ARG 21 1HB ARG 21 -13.035 6.842 6.931 160 HB3 ARG 21 2HB ARG 21 -13.506 6.902 8.624 161 HG2 ARG 21 1HG ARG 21 -12.853 9.453 8.327 162 HG3 ARG 21 2HG ARG 21 -13.244 9.090 6.645 163 HD2 ARG 21 1HD ARG 21 -15.030 8.708 9.044 164 HD3 ARG 21 2HD ARG 21 -15.210 9.919 7.775 165 HE ARG 21 HE ARG 21 -15.234 7.206 6.817 166 HH11 ARG 21 1HH1 ARG 21 -17.146 9.823 8.089 167 HH12 ARG 21 2HH1 ARG 21 -18.628 9.249 7.397 168 HH21 ARG 21 1HH2 ARG 21 -17.178 6.441 5.901 169 HH22 ARG 21 2HH2 ARG 21 -18.645 7.325 6.153 170 H GLU 22 H GLU 22 -10.562 9.657 8.537 171 HA GLU 22 HA GLU 22 -9.720 10.013 5.801 172 HB2 GLU 22 1HB GLU 22 -9.548 11.790 8.236 173 HB3 GLU 22 2HB GLU 22 -8.957 12.263 6.649 174 HG2 GLU 22 1HG GLU 22 -11.674 11.290 6.521 175 HG3 GLU 22 2HG GLU 22 -11.511 12.628 7.657 176 H VAL 23 H VAL 23 -7.568 10.583 5.159 177 HA VAL 23 HA VAL 23 -5.496 9.436 6.917 178 HB VAL 23 HB VAL 23 -4.245 9.007 4.729 179 HG11 VAL 23 1HG1 VAL 23 -6.322 7.515 6.055 180 HG12 VAL 23 2HG1 VAL 23 -6.239 7.091 4.344 181 HG13 VAL 23 3HG1 VAL 23 -4.804 6.949 5.360 182 HG21 VAL 23 3HG2 VAL 23 -5.595 8.759 2.725 183 HG22 VAL 23 1HG2 VAL 23 -7.026 9.309 3.597 184 HG23 VAL 23 2HG2 VAL 23 -5.684 10.418 3.316 185 H THR 24 H THR 24 -3.556 10.503 7.117 186 HA THR 24 HA THR 24 -3.601 13.318 6.425 187 HB THR 24 HB THR 24 -1.576 11.716 8.000 188 HG1 THR 24 HG1 THR 24 -2.580 12.906 9.760 189 HG21 THR 24 3HG2 THR 24 -0.941 14.076 8.793 190 HG22 THR 24 1HG2 THR 24 -1.773 14.642 7.345 191 HG23 THR 24 2HG2 THR 24 -0.381 13.568 7.200 192 H MET 25 H MET 25 -2.764 14.073 4.603 193 HA MET 25 HA MET 25 -0.487 12.640 3.402 194 HB2 MET 25 1HB MET 25 -1.327 13.254 1.193 195 HB3 MET 25 2HB MET 25 -2.526 12.316 2.074 196 HG2 MET 25 1HG MET 25 -3.627 14.476 2.694 197 HG3 MET 25 2HG MET 25 -2.517 15.280 1.586 198 HE1 MET 25 3HE MET 25 -5.185 16.014 1.115 199 HE2 MET 25 1HE MET 25 -4.201 16.245 -0.331 200 HE3 MET 25 2HE MET 25 -5.782 15.474 -0.456 201 H LYS 26 H LYS 26 1.022 13.940 2.217 202 HA LYS 26 HA LYS 26 0.894 16.823 2.745 203 HB2 LYS 26 1HB LYS 26 3.278 15.056 3.327 204 HB3 LYS 26 2HB LYS 26 3.283 16.814 3.400 205 HG2 LYS 26 1HG LYS 26 1.328 16.473 5.086 206 HG3 LYS 26 2HG LYS 26 1.993 14.844 5.230 207 HD2 LYS 26 1HD LYS 26 3.081 16.031 6.916 208 HD3 LYS 26 2HD LYS 26 4.251 16.028 5.594 209 HE2 LYS 26 1HE LYS 26 3.919 18.262 5.122 210 HE3 LYS 26 2HE LYS 26 2.305 18.280 5.831 211 HZ1 LYS 26 3HZ LYS 26 3.812 19.473 7.241 212 HZ2 LYS 26 1HZ LYS 26 4.880 18.162 7.305 213 HZ3 LYS 26 2HZ LYS 26 3.355 18.048 8.029 214 H LYS 27 H LYS 27 2.252 18.105 1.362 215 HA LYS 27 HA LYS 27 2.148 17.457 -1.315 216 HB2 LYS 27 1HB LYS 27 3.967 19.245 -1.565 217 HB3 LYS 27 2HB LYS 27 2.459 19.727 -0.798 218 HG2 LYS 27 1HG LYS 27 4.432 18.762 1.107 219 HG3 LYS 27 2HG LYS 27 4.986 20.160 0.182 220 HD2 LYS 27 1HD LYS 27 2.323 20.039 1.588 221 HD3 LYS 27 2HD LYS 27 3.786 20.701 2.323 222 HE2 LYS 27 1HE LYS 27 2.588 21.670 -0.269 223 HE3 LYS 27 2HE LYS 27 2.292 22.414 1.302 224 HZ1 LYS 27 3HZ LYS 27 4.472 22.791 -0.445 225 HZ2 LYS 27 1HZ LYS 27 5.043 22.177 1.024 226 HZ3 LYS 27 2HZ LYS 27 4.123 23.596 1.002 227 H GLY 28 H GLY 28 3.009 15.656 -2.160 228 HA2 GLY 28 1HA GLY 28 5.200 14.983 -3.175 229 HA3 GLY 28 2HA GLY 28 5.841 15.079 -1.541 230 H ASP 29 H ASP 29 3.144 13.940 -0.626 231 HA ASP 29 HA ASP 29 4.001 11.228 -0.513 232 HB2 ASP 29 1HB ASP 29 1.635 12.760 0.472 233 HB3 ASP 29 2HB ASP 29 1.533 11.002 0.420 234 H ILE 30 H ILE 30 2.855 9.370 -1.291 235 HA ILE 30 HA ILE 30 1.137 9.876 -3.623 236 HB ILE 30 HB ILE 30 3.372 7.846 -3.539 237 HG12 ILE 30 1HG1 ILE 30 3.141 10.317 -5.264 238 HG13 ILE 30 2HG1 ILE 30 4.072 10.259 -3.771 239 HG21 ILE 30 1HG2 ILE 30 1.014 8.087 -5.171 240 HG22 ILE 30 2HG2 ILE 30 2.471 8.219 -6.154 241 HG23 ILE 30 3HG2 ILE 30 2.224 6.805 -5.131 242 HD11 ILE 30 3HD1 ILE 30 5.340 8.329 -4.819 243 HD12 ILE 30 1HD1 ILE 30 4.572 8.793 -6.337 244 HD13 ILE 30 2HD1 ILE 30 5.620 9.934 -5.494 245 H LEU 31 H LEU 31 -0.690 8.743 -3.597 246 HA LEU 31 HA LEU 31 -0.799 6.287 -1.977 247 HB2 LEU 31 1HB LEU 31 -3.180 8.061 -2.311 248 HB3 LEU 31 2HB LEU 31 -2.855 6.856 -1.067 249 HG LEU 31 HG LEU 31 -1.671 9.618 -1.297 250 HD11 LEU 31 1HD1 LEU 31 -3.808 8.365 0.285 251 HD12 LEU 31 2HD1 LEU 31 -3.572 10.050 -0.178 252 HD13 LEU 31 3HD1 LEU 31 -2.688 9.381 1.193 253 HD21 LEU 31 3HD2 LEU 31 0.135 8.800 -0.282 254 HD22 LEU 31 1HD2 LEU 31 -0.626 7.229 -0.026 255 HD23 LEU 31 2HD2 LEU 31 -0.894 8.537 1.127 256 H THR 32 H THR 32 -2.761 4.927 -2.565 257 HA THR 32 HA THR 32 -2.855 4.715 -5.481 258 HB THR 32 HB THR 32 -3.898 2.718 -3.470 259 HG1 THR 32 HG1 THR 32 -1.914 1.893 -3.353 260 HG21 THR 32 3HG2 THR 32 -4.374 1.388 -5.215 261 HG22 THR 32 1HG2 THR 32 -2.879 1.799 -6.054 262 HG23 THR 32 2HG2 THR 32 -4.283 2.860 -6.183 263 H LEU 33 H LEU 33 -4.499 5.672 -6.475 264 HA LEU 33 HA LEU 33 -6.827 6.605 -5.224 265 HB2 LEU 33 1HB LEU 33 -5.693 7.133 -7.554 266 HB3 LEU 33 2HB LEU 33 -6.865 5.948 -8.125 267 HG LEU 33 HG LEU 33 -7.802 8.107 -8.460 268 HD11 LEU 33 1HD1 LEU 33 -9.394 6.473 -7.703 269 HD12 LEU 33 2HD1 LEU 33 -9.790 8.035 -6.986 270 HD13 LEU 33 3HD1 LEU 33 -8.987 6.799 -6.018 271 HD21 LEU 33 3HD2 LEU 33 -8.151 9.252 -5.955 272 HD22 LEU 33 1HD2 LEU 33 -7.046 9.791 -7.219 273 HD23 LEU 33 2HD2 LEU 33 -6.477 8.698 -5.958 274 H LEU 34 H LEU 34 -8.223 5.288 -4.235 275 HA LEU 34 HA LEU 34 -8.852 2.683 -5.367 276 HB2 LEU 34 1HB LEU 34 -8.626 3.618 -2.795 277 HB3 LEU 34 2HB LEU 34 -10.371 3.539 -3.024 278 HG LEU 34 HG LEU 34 -10.197 1.165 -3.576 279 HD11 LEU 34 1HD1 LEU 34 -8.002 0.029 -3.122 280 HD12 LEU 34 2HD1 LEU 34 -7.256 1.627 -3.143 281 HD13 LEU 34 3HD1 LEU 34 -8.059 1.009 -4.587 282 HD21 LEU 34 3HD2 LEU 34 -8.719 1.728 -1.015 283 HD22 LEU 34 1HD2 LEU 34 -9.773 0.362 -1.380 284 HD23 LEU 34 2HD2 LEU 34 -10.453 1.981 -1.215 285 H ASN 35 H ASN 35 -10.555 5.670 -4.469 286 HA ASN 35 HA ASN 35 -12.611 5.002 -6.452 287 HB2 ASN 35 1HB ASN 35 -13.480 4.394 -4.217 288 HB3 ASN 35 2HB ASN 35 -13.199 6.045 -3.672 289 HD21 ASN 35 2HD2 ASN 35 -14.520 4.787 -6.705 290 HD22 ASN 35 1HD2 ASN 35 -16.038 5.603 -6.583 291 H SER 36 H SER 36 -12.835 6.600 -7.860 292 HA SER 36 HA SER 36 -12.254 9.350 -6.975 293 HB2 SER 36 1HB SER 36 -11.760 9.440 -9.660 294 HB3 SER 36 2HB SER 36 -10.520 9.215 -8.426 295 HG SER 36 HG SER 36 -10.381 7.609 -10.031 296 H THR 37 H THR 37 -14.766 7.647 -7.363 297 HA THR 37 HA THR 37 -16.276 8.458 -9.524 298 HB THR 37 HB THR 37 -17.046 6.778 -7.902 299 HG1 THR 37 HG1 THR 37 -18.771 7.432 -9.008 300 HG21 THR 37 3HG2 THR 37 -17.845 9.031 -6.081 301 HG22 THR 37 1HG2 THR 37 -16.302 8.197 -5.900 302 HG23 THR 37 2HG2 THR 37 -17.813 7.300 -5.745 303 H ASN 38 H ASN 38 -15.515 10.210 -6.581 304 HA ASN 38 HA ASN 38 -17.268 12.415 -7.346 305 HB2 ASN 38 1HB ASN 38 -16.556 11.374 -4.891 306 HB3 ASN 38 2HB ASN 38 -15.562 12.824 -5.002 307 HD21 ASN 38 2HD2 ASN 38 -17.476 12.633 -3.088 308 HD22 ASN 38 1HD2 ASN 38 -18.775 13.718 -3.437 309 H LYS 39 H LYS 39 -16.259 14.669 -6.946 310 HA LYS 39 HA LYS 39 -13.650 14.746 -8.316 311 HB2 LYS 39 1HB LYS 39 -15.987 16.654 -8.447 312 HB3 LYS 39 2HB LYS 39 -14.395 17.033 -9.093 313 HG2 LYS 39 1HG LYS 39 -14.548 15.182 -10.645 314 HG3 LYS 39 2HG LYS 39 -16.105 14.710 -9.960 315 HD2 LYS 39 1HD LYS 39 -15.763 17.487 -10.990 316 HD3 LYS 39 2HD LYS 39 -15.975 16.168 -12.144 317 HE2 LYS 39 1HE LYS 39 -18.149 16.898 -11.763 318 HE3 LYS 39 2HE LYS 39 -17.994 15.511 -10.686 319 HZ1 LYS 39 3HZ LYS 39 -18.383 16.799 -8.942 320 HZ2 LYS 39 1HZ LYS 39 -18.737 18.073 -9.997 321 HZ3 LYS 39 2HZ LYS 39 -17.171 17.892 -9.384 322 H ASP 40 H ASP 40 -15.449 15.701 -5.550 323 HA ASP 40 HA ASP 40 -13.458 17.682 -4.748 324 HB2 ASP 40 1HB ASP 40 -15.961 16.821 -3.286 325 HB3 ASP 40 2HB ASP 40 -14.966 18.232 -2.937 326 H TRP 41 H TRP 41 -14.989 14.776 -3.359 327 HA TRP 41 HA TRP 41 -12.665 14.464 -1.597 328 HB2 TRP 41 1HB TRP 41 -15.443 13.283 -1.522 329 HB3 TRP 41 2HB TRP 41 -14.143 12.737 -0.465 330 HD1 TRP 41 HD1 TRP 41 -16.859 15.238 -0.649 331 HE1 TRP 41 HE1 TRP 41 -16.646 16.945 1.266 332 HE3 TRP 41 HE3 TRP 41 -12.130 14.103 0.927 333 HZ2 TRP 41 HZ2 TRP 41 -14.727 17.709 3.189 334 HZ3 TRP 41 HZ3 TRP 41 -11.179 15.369 2.810 335 HH2 TRP 41 HH2 TRP 41 -12.452 17.135 3.916 336 H TRP 42 H TRP 42 -11.097 13.227 -2.379 337 HA TRP 42 HA TRP 42 -11.802 10.970 -4.124 338 HB2 TRP 42 1HB TRP 42 -9.459 12.783 -3.935 339 HB3 TRP 42 2HB TRP 42 -9.126 11.107 -4.365 340 HD1 TRP 42 HD1 TRP 42 -12.420 12.344 -5.653 341 HE1 TRP 42 HE1 TRP 42 -12.256 12.781 -8.184 342 HE3 TRP 42 HE3 TRP 42 -7.351 11.983 -6.213 343 HZ2 TRP 42 HZ2 TRP 42 -10.245 12.950 -10.157 344 HZ3 TRP 42 HZ3 TRP 42 -6.387 12.295 -8.456 345 HH2 TRP 42 HH2 TRP 42 -7.806 12.768 -10.386 346 H LYS 43 H LYS 43 -11.529 8.937 -3.458 347 HA LYS 43 HA LYS 43 -10.387 8.491 -0.809 348 HB2 LYS 43 1HB LYS 43 -11.655 6.347 -2.476 349 HB3 LYS 43 2HB LYS 43 -11.600 6.502 -0.725 350 HG2 LYS 43 1HG LYS 43 -13.092 8.554 -1.043 351 HG3 LYS 43 2HG LYS 43 -13.353 7.946 -2.680 352 HD2 LYS 43 1HD LYS 43 -14.061 5.768 -1.656 353 HD3 LYS 43 2HD LYS 43 -13.994 6.560 -0.080 354 HE2 LYS 43 1HE LYS 43 -15.743 8.037 -0.636 355 HE3 LYS 43 2HE LYS 43 -15.627 7.654 -2.353 356 HZ1 LYS 43 3HZ LYS 43 -17.407 6.387 -1.804 357 HZ2 LYS 43 1HZ LYS 43 -16.919 6.163 -0.200 358 HZ3 LYS 43 2HZ LYS 43 -16.197 5.264 -1.437 359 H VAL 44 H VAL 44 -8.394 7.746 -0.541 360 HA VAL 44 HA VAL 44 -7.179 6.140 -2.687 361 HB VAL 44 HB VAL 44 -4.968 7.261 -1.901 362 HG11 VAL 44 1HG1 VAL 44 -5.445 7.646 -4.103 363 HG12 VAL 44 2HG1 VAL 44 -7.044 8.308 -3.756 364 HG13 VAL 44 3HG1 VAL 44 -5.603 9.284 -3.470 365 HG21 VAL 44 3HG2 VAL 44 -5.234 9.586 -1.182 366 HG22 VAL 44 1HG2 VAL 44 -6.982 9.362 -1.104 367 HG23 VAL 44 2HG2 VAL 44 -5.928 8.468 -0.008 368 H GLU 45 H GLU 45 -5.455 4.727 -1.988 369 HA GLU 45 HA GLU 45 -5.849 3.839 0.782 370 HB2 GLU 45 1HB GLU 45 -6.209 2.296 -1.255 371 HB3 GLU 45 2HB GLU 45 -4.455 2.262 -1.365 372 HG2 GLU 45 1HG GLU 45 -4.242 1.224 0.741 373 HG3 GLU 45 2HG GLU 45 -5.929 1.536 1.146 374 H VAL 46 H VAL 46 -4.203 3.732 2.218 375 HA VAL 46 HA VAL 46 -1.526 4.521 1.268 376 HB VAL 46 HB VAL 46 -1.184 5.636 3.462 377 HG11 VAL 46 1HG1 VAL 46 -2.380 6.609 1.217 378 HG12 VAL 46 2HG1 VAL 46 -3.545 7.057 2.465 379 HG13 VAL 46 3HG1 VAL 46 -1.867 7.588 2.591 380 HG21 VAL 46 3HG2 VAL 46 -4.157 5.493 3.850 381 HG22 VAL 46 1HG2 VAL 46 -3.073 4.287 4.545 382 HG23 VAL 46 2HG2 VAL 46 -2.914 5.984 5.001 383 H LYS 47 H LYS 47 0.083 4.103 3.252 384 HA LYS 47 HA LYS 47 -0.426 1.360 4.202 385 HB2 LYS 47 1HB LYS 47 1.281 1.622 2.315 386 HB3 LYS 47 2HB LYS 47 2.304 2.427 3.498 387 HG2 LYS 47 1HG LYS 47 2.466 0.467 4.822 388 HG3 LYS 47 2HG LYS 47 1.200 -0.341 3.894 389 HD2 LYS 47 1HD LYS 47 3.609 0.610 2.435 390 HD3 LYS 47 2HD LYS 47 3.775 -0.813 3.465 391 HE2 LYS 47 1HE LYS 47 2.335 -2.072 2.185 392 HE3 LYS 47 2HE LYS 47 1.484 -0.659 1.563 393 HZ1 LYS 47 3HZ LYS 47 2.968 -0.382 -0.095 394 HZ2 LYS 47 1HZ LYS 47 3.225 -2.039 0.130 395 HZ3 LYS 47 2HZ LYS 47 4.286 -0.916 0.820 396 H ILE 48 H ILE 48 -0.708 1.433 6.330 397 HA ILE 48 HA ILE 48 0.953 3.285 7.908 398 HB ILE 48 HB ILE 48 -1.720 2.071 8.618 399 HG12 ILE 48 1HG1 ILE 48 -1.213 5.005 8.353 400 HG13 ILE 48 2HG1 ILE 48 -1.429 4.051 6.889 401 HG21 ILE 48 1HG2 ILE 48 -1.231 2.508 10.737 402 HG22 ILE 48 2HG2 ILE 48 0.350 3.134 10.268 403 HG23 ILE 48 3HG2 ILE 48 -1.044 4.213 10.325 404 HD11 ILE 48 3HD1 ILE 48 -3.414 3.875 9.112 405 HD12 ILE 48 1HD1 ILE 48 -3.467 5.208 7.958 406 HD13 ILE 48 2HD1 ILE 48 -3.625 3.545 7.392 407 H THR 49 H THR 49 2.554 2.357 8.980 408 HA THR 49 HA THR 49 2.421 -0.499 9.594 409 HB THR 49 HB THR 49 4.746 1.428 9.763 410 HG1 THR 49 HG1 THR 49 3.774 0.567 7.640 411 HG21 THR 49 3HG2 THR 49 4.682 -1.573 10.108 412 HG22 THR 49 1HG2 THR 49 4.947 -0.395 11.392 413 HG23 THR 49 2HG2 THR 49 6.128 -0.564 10.093 414 H VAL 50 H VAL 50 1.831 -1.158 11.545 415 HA VAL 50 HA VAL 50 2.456 0.537 13.867 416 HB VAL 50 HB VAL 50 -0.145 -0.934 13.421 417 HG11 VAL 50 1HG1 VAL 50 1.103 0.302 15.808 418 HG12 VAL 50 2HG1 VAL 50 -0.628 0.558 15.573 419 HG13 VAL 50 3HG1 VAL 50 0.016 -1.081 15.684 420 HG21 VAL 50 3HG2 VAL 50 -1.080 1.414 13.600 421 HG22 VAL 50 1HG2 VAL 50 0.575 1.986 13.391 422 HG23 VAL 50 2HG2 VAL 50 -0.198 1.039 12.120 423 H ASN 51 H ASN 51 3.377 -0.502 15.529 424 HA ASN 51 HA ASN 51 4.343 -2.161 16.748 425 HB2 ASN 51 1HB ASN 51 1.869 -2.678 17.059 426 HB3 ASN 51 2HB ASN 51 2.072 -3.923 15.830 427 HD21 ASN 51 2HD2 ASN 51 1.223 -4.984 17.960 428 HD22 ASN 51 1HD2 ASN 51 2.452 -5.714 18.931 429 H GLY 52 H GLY 52 5.121 -1.859 13.974 430 HA2 GLY 52 1HA GLY 52 6.655 -2.905 12.604 431 HA3 GLY 52 2HA GLY 52 6.633 -4.275 13.705 432 H LYS 53 H LYS 53 3.588 -3.241 12.524 433 HA LYS 53 HA LYS 53 3.605 -5.401 10.519 434 HB2 LYS 53 1HB LYS 53 1.471 -4.712 12.539 435 HB3 LYS 53 2HB LYS 53 1.169 -5.734 11.139 436 HG2 LYS 53 1HG LYS 53 2.543 -7.439 11.934 437 HG3 LYS 53 2HG LYS 53 3.363 -6.371 13.076 438 HD2 LYS 53 1HD LYS 53 1.883 -7.779 14.319 439 HD3 LYS 53 2HD LYS 53 1.197 -6.153 14.305 440 HE2 LYS 53 1HE LYS 53 -0.668 -7.369 13.791 441 HE3 LYS 53 2HE LYS 53 -0.047 -7.070 12.168 442 HZ1 LYS 53 3HZ LYS 53 1.169 -9.288 12.511 443 HZ2 LYS 53 1HZ LYS 53 -0.487 -9.325 12.168 444 HZ3 LYS 53 2HZ LYS 53 0.053 -9.553 13.754 445 H THR 54 H THR 54 3.168 -4.702 8.543 446 HA THR 54 HA THR 54 2.267 -2.029 8.061 447 HB THR 54 HB THR 54 2.084 -3.174 5.618 448 HG1 THR 54 HG1 THR 54 3.212 -4.982 5.495 449 HG21 THR 54 3HG2 THR 54 3.490 -1.279 6.121 450 HG22 THR 54 1HG2 THR 54 4.458 -2.502 5.299 451 HG23 THR 54 2HG2 THR 54 4.595 -2.295 7.046 452 H TYR 55 H TYR 55 0.267 -1.303 7.686 453 HA TYR 55 HA TYR 55 -1.865 -3.284 7.227 454 HB2 TYR 55 1HB TYR 55 -1.968 -0.780 8.919 455 HB3 TYR 55 2HB TYR 55 -3.374 -1.754 8.504 456 HD1 TYR 55 HD2 TYR 55 -3.463 -4.150 9.305 457 HD2 TYR 55 HD1 TYR 55 -0.578 -1.366 10.729 458 HE1 TYR 55 HE2 TYR 55 -3.050 -5.586 11.258 459 HE2 TYR 55 HE1 TYR 55 -0.155 -2.796 12.686 460 HH TYR 55 HH TYR 55 -2.162 -5.208 13.667 461 H GLU 56 H GLU 56 -3.532 -2.710 5.831 462 HA GLU 56 HA GLU 56 -3.003 -0.321 4.189 463 HB2 GLU 56 1HB GLU 56 -4.227 -2.964 3.378 464 HB3 GLU 56 2HB GLU 56 -4.098 -1.558 2.331 465 HG2 GLU 56 1HG GLU 56 -1.569 -1.702 2.857 466 HG3 GLU 56 2HG GLU 56 -1.943 -3.351 3.356 467 H ARG 57 H ARG 57 -4.680 1.024 3.659 468 HA ARG 57 HA ARG 57 -7.416 0.376 4.117 469 HB2 ARG 57 1HB ARG 57 -7.856 1.947 5.939 470 HB3 ARG 57 2HB ARG 57 -6.735 0.692 6.448 471 HG2 ARG 57 1HG ARG 57 -4.976 2.138 6.629 472 HG3 ARG 57 2HG ARG 57 -5.621 3.245 5.415 473 HD2 ARG 57 1HD ARG 57 -5.817 4.356 7.492 474 HD3 ARG 57 2HD ARG 57 -7.439 3.807 7.071 475 HE ARG 57 HE ARG 57 -6.172 1.866 8.670 476 HH11 ARG 57 1HH1 ARG 57 -7.551 5.056 8.873 477 HH12 ARG 57 2HH1 ARG 57 -7.990 4.902 10.542 478 HH21 ARG 57 1HH2 ARG 57 -6.745 1.652 10.868 479 HH22 ARG 57 2HH2 ARG 57 -7.530 2.966 11.676 480 H GLN 58 H GLN 58 -8.857 2.122 3.541 481 HA GLN 58 HA GLN 58 -7.548 4.060 1.764 482 HB2 GLN 58 1HB GLN 58 -9.567 4.129 0.493 483 HB3 GLN 58 2HB GLN 58 -9.198 2.435 0.791 484 HG2 GLN 58 1HG GLN 58 -11.197 2.142 1.676 485 HG3 GLN 58 2HG GLN 58 -10.843 3.354 2.907 486 HE21 GLN 58 2HE2 GLN 58 -11.299 3.617 -0.595 487 HE22 GLN 58 1HE2 GLN 58 -12.603 4.747 -0.516 488 H GLY 59 H GLY 59 -8.170 6.240 1.761 489 HA2 GLY 59 1HA GLY 59 -9.901 7.115 3.970 490 HA3 GLY 59 2HA GLY 59 -8.270 7.759 3.862 491 H PHE 60 H PHE 60 -10.700 9.269 3.782 492 HA PHE 60 HA PHE 60 -10.986 10.086 1.000 493 HB2 PHE 60 1HB PHE 60 -12.372 11.344 3.359 494 HB3 PHE 60 2HB PHE 60 -12.890 11.309 1.677 495 HD1 PHE 60 HD1 PHE 60 -12.599 9.363 4.775 496 HD2 PHE 60 HD2 PHE 60 -14.060 9.429 0.777 497 HE1 PHE 60 HE1 PHE 60 -13.963 7.370 5.244 498 HE2 PHE 60 HE2 PHE 60 -15.427 7.437 1.240 499 HZ PHE 60 HZ PHE 60 -15.381 6.405 3.476 500 H VAL 61 H VAL 61 -10.109 11.870 0.139 501 HA VAL 61 HA VAL 61 -9.061 13.966 1.881 502 HB VAL 61 HB VAL 61 -6.939 13.996 0.450 503 HG11 VAL 61 1HG1 VAL 61 -7.437 11.769 2.420 504 HG12 VAL 61 2HG1 VAL 61 -5.841 12.295 1.883 505 HG13 VAL 61 3HG1 VAL 61 -6.879 13.402 2.782 506 HG21 VAL 61 3HG2 VAL 61 -8.018 12.251 -1.137 507 HG22 VAL 61 1HG2 VAL 61 -6.300 12.125 -0.758 508 HG23 VAL 61 2HG2 VAL 61 -7.462 11.076 0.055 509 HA PRO 62 HA PRO 62 -10.484 16.682 -1.260 510 HB2 PRO 62 1HB PRO 62 -8.708 18.724 -1.054 511 HB3 PRO 62 2HB PRO 62 -9.958 18.412 0.156 512 HG2 PRO 62 1HG PRO 62 -7.057 17.672 0.195 513 HG3 PRO 62 2HG PRO 62 -8.062 18.327 1.501 514 HD2 PRO 62 1HD PRO 62 -7.451 15.696 1.313 515 HD3 PRO 62 2HD PRO 62 -8.987 16.274 1.990 516 H ALA 63 H ALA 63 -10.283 16.079 -3.333 517 HA ALA 63 HA ALA 63 -7.909 15.284 -4.596 518 HB1 ALA 63 1HB ALA 63 -10.354 16.383 -5.970 519 HB2 ALA 63 2HB ALA 63 -9.154 15.273 -6.632 520 HB3 ALA 63 3HB ALA 63 -10.232 14.739 -5.342 521 H ALA 64 H ALA 64 -9.365 18.423 -4.164 522 HA ALA 64 HA ALA 64 -7.971 19.824 -6.174 523 HB1 ALA 64 1HB ALA 64 -9.927 20.767 -5.104 524 HB2 ALA 64 2HB ALA 64 -9.086 20.818 -3.554 525 HB3 ALA 64 3HB ALA 64 -8.545 21.841 -4.885 526 H TYR 65 H TYR 65 -6.900 18.434 -3.270 527 HA TYR 65 HA TYR 65 -4.566 20.203 -3.109 528 HB2 TYR 65 1HB TYR 65 -5.747 18.184 -1.210 529 HB3 TYR 65 2HB TYR 65 -4.127 18.834 -0.982 530 HD1 TYR 65 HD2 TYR 65 -7.535 20.181 -1.755 531 HD2 TYR 65 HD1 TYR 65 -3.969 20.552 0.537 532 HE1 TYR 65 HE2 TYR 65 -8.486 22.133 -0.601 533 HE2 TYR 65 HE1 TYR 65 -4.911 22.505 1.697 534 HH TYR 65 HH TYR 65 -6.962 24.334 0.854 535 H VAL 66 H VAL 66 -5.494 17.352 -4.542 536 HA VAL 66 HA VAL 66 -2.693 16.471 -4.754 537 HB VAL 66 HB VAL 66 -3.354 14.150 -4.753 538 HG11 VAL 66 1HG1 VAL 66 -3.233 15.708 -2.557 539 HG12 VAL 66 2HG1 VAL 66 -4.847 15.020 -2.365 540 HG13 VAL 66 3HG1 VAL 66 -3.445 13.958 -2.507 541 HG21 VAL 66 3HG2 VAL 66 -6.005 14.158 -3.836 542 HG22 VAL 66 1HG2 VAL 66 -5.965 15.248 -5.221 543 HG23 VAL 66 2HG2 VAL 66 -5.407 13.584 -5.393 544 H LYS 67 H LYS 67 -2.748 14.616 -6.611 545 HA LYS 67 HA LYS 67 -4.493 15.203 -8.808 546 HB2 LYS 67 1HB LYS 67 -2.802 16.052 -10.343 547 HB3 LYS 67 2HB LYS 67 -2.955 17.119 -8.953 548 HG2 LYS 67 1HG LYS 67 -0.850 16.749 -8.276 549 HG3 LYS 67 2HG LYS 67 -0.909 15.033 -8.686 550 HD2 LYS 67 1HD LYS 67 0.716 16.195 -10.078 551 HD3 LYS 67 2HD LYS 67 -0.626 15.597 -11.056 552 HE2 LYS 67 1HE LYS 67 -0.898 18.338 -9.991 553 HE3 LYS 67 2HE LYS 67 0.340 18.102 -11.222 554 HZ1 LYS 67 3HZ LYS 67 -2.548 18.004 -11.459 555 HZ2 LYS 67 1HZ LYS 67 -1.714 16.805 -12.314 556 HZ3 LYS 67 2HZ LYS 67 -1.380 18.437 -12.604 557 H LYS 68 H LYS 68 -3.819 13.958 -10.795 558 HA LYS 68 HA LYS 68 -3.176 11.281 -10.026 559 HB2 LYS 68 1HB LYS 68 -4.023 12.664 -12.508 560 HB3 LYS 68 2HB LYS 68 -3.141 11.156 -12.715 561 HG2 LYS 68 1HG LYS 68 -4.784 9.903 -11.651 562 HG3 LYS 68 2HG LYS 68 -5.492 11.319 -10.871 563 HD2 LYS 68 1HD LYS 68 -7.004 10.822 -12.573 564 HD3 LYS 68 2HD LYS 68 -6.015 12.110 -13.266 565 HE2 LYS 68 1HE LYS 68 -4.579 10.194 -14.216 566 HE3 LYS 68 2HE LYS 68 -5.966 9.168 -13.850 567 HZ1 LYS 68 3HZ LYS 68 -6.581 9.771 -15.911 568 HZ2 LYS 68 1HZ LYS 68 -5.645 11.180 -15.915 569 HZ3 LYS 68 2HZ LYS 68 -7.150 11.167 -15.146 570 H LEU 69 H LEU 69 -1.294 10.212 -10.153 571 HA LEU 69 HA LEU 69 1.097 11.697 -10.776 572 HB2 LEU 69 1HB LEU 69 0.887 10.094 -8.869 573 HB3 LEU 69 2HB LEU 69 0.831 8.786 -10.048 574 HG LEU 69 HG LEU 69 3.133 9.900 -10.799 575 HD11 LEU 69 1HD1 LEU 69 3.013 11.695 -9.143 576 HD12 LEU 69 2HD1 LEU 69 4.400 10.643 -8.859 577 HD13 LEU 69 3HD1 LEU 69 2.962 10.498 -7.848 578 HD21 LEU 69 3HD2 LEU 69 3.313 8.216 -8.362 579 HD22 LEU 69 1HD2 LEU 69 4.125 8.050 -9.919 580 HD23 LEU 69 2HD2 LEU 69 2.437 7.565 -9.749 581 H ASP 70 H ASP 70 -0.923 9.358 -12.338 582 HA ASP 70 HA ASP 70 1.074 8.943 -14.448 583 HB2 ASP 70 1HB ASP 70 -1.392 7.448 -13.612 584 HB3 ASP 70 2HB ASP 70 -0.734 7.240 -15.232 Start of MODEL 17 1 H1 MET 1 H MET 1 -0.054 -6.166 -1.679 2 HA MET 1 HA MET 1 1.977 -4.253 -0.739 3 HB2 MET 1 1HB MET 1 1.765 -5.951 -3.178 4 HB3 MET 1 2HB MET 1 2.545 -4.383 -3.335 5 HG2 MET 1 1HG MET 1 4.035 -5.047 -1.429 6 HG3 MET 1 2HG MET 1 3.351 -6.665 -1.558 7 HE1 MET 1 3HE MET 1 5.112 -3.816 -3.146 8 HE2 MET 1 1HE MET 1 6.576 -4.734 -2.789 9 HE3 MET 1 2HE MET 1 6.081 -4.479 -4.463 10 H ASP 2 H ASP 2 1.742 -2.133 -1.169 11 HA ASP 2 HA ASP 2 -0.666 -1.328 -2.648 12 HB2 ASP 2 1HB ASP 2 -0.117 -0.649 -0.157 13 HB3 ASP 2 2HB ASP 2 0.880 0.575 -0.938 14 H GLU 3 H GLU 3 1.968 -2.045 -3.820 15 HA GLU 3 HA GLU 3 2.602 0.536 -5.093 16 HB2 GLU 3 1HB GLU 3 4.430 -0.628 -3.751 17 HB3 GLU 3 2HB GLU 3 4.428 -1.860 -5.004 18 HG2 GLU 3 1HG GLU 3 6.087 -0.542 -5.799 19 HG3 GLU 3 2HG GLU 3 4.713 0.247 -6.573 20 H THR 4 H THR 4 0.434 -1.111 -5.906 21 HA THR 4 HA THR 4 0.970 -2.865 -7.997 22 HB THR 4 HB THR 4 -1.275 -2.520 -6.969 23 HG1 THR 4 HG1 THR 4 -1.675 -3.600 -8.753 24 HG21 THR 4 3HG2 THR 4 -1.339 -0.064 -8.726 25 HG22 THR 4 1HG2 THR 4 -1.285 -0.068 -6.964 26 HG23 THR 4 2HG2 THR 4 -2.696 -0.712 -7.804 27 H GLY 5 H GLY 5 1.000 0.625 -7.915 28 HA2 GLY 5 1HA GLY 5 1.695 2.173 -9.461 29 HA3 GLY 5 2HA GLY 5 2.488 0.846 -10.295 30 H LYS 6 H LYS 6 -0.928 1.645 -9.670 31 HA LYS 6 HA LYS 6 -1.382 1.481 -12.578 32 HB2 LYS 6 1HB LYS 6 -2.863 0.313 -10.285 33 HB3 LYS 6 2HB LYS 6 -3.830 0.940 -11.614 34 HG2 LYS 6 1HG LYS 6 -3.392 -1.443 -11.865 35 HG3 LYS 6 2HG LYS 6 -2.663 -0.512 -13.175 36 HD2 LYS 6 1HD LYS 6 -0.511 -0.853 -12.393 37 HD3 LYS 6 2HD LYS 6 -1.052 -1.176 -10.744 38 HE2 LYS 6 1HE LYS 6 -0.438 -3.278 -11.512 39 HE3 LYS 6 2HE LYS 6 -2.182 -3.259 -11.770 40 HZ1 LYS 6 3HZ LYS 6 -1.633 -2.494 -14.103 41 HZ2 LYS 6 1HZ LYS 6 -1.267 -4.104 -13.733 42 HZ3 LYS 6 2HZ LYS 6 -0.035 -2.946 -13.781 43 H GLU 7 H GLU 7 -2.995 2.720 -9.642 44 HA GLU 7 HA GLU 7 -3.436 5.255 -11.072 45 HB2 GLU 7 1HB GLU 7 -5.616 5.368 -9.708 46 HB3 GLU 7 2HB GLU 7 -5.577 4.319 -11.118 47 HG2 GLU 7 1HG GLU 7 -4.934 3.212 -8.424 48 HG3 GLU 7 2HG GLU 7 -6.612 3.473 -8.897 49 H LEU 8 H LEU 8 -1.357 5.599 -9.804 50 HA LEU 8 HA LEU 8 -1.790 6.130 -6.968 51 HB2 LEU 8 1HB LEU 8 0.642 6.126 -8.731 52 HB3 LEU 8 2HB LEU 8 0.680 6.759 -7.087 53 HG LEU 8 HG LEU 8 -0.293 3.975 -7.555 54 HD11 LEU 8 1HD1 LEU 8 1.920 3.085 -7.497 55 HD12 LEU 8 2HD1 LEU 8 2.621 4.691 -7.301 56 HD13 LEU 8 3HD1 LEU 8 1.842 4.249 -8.820 57 HD21 LEU 8 3HD2 LEU 8 -0.114 3.812 -5.338 58 HD22 LEU 8 1HD2 LEU 8 0.057 5.568 -5.333 59 HD23 LEU 8 2HD2 LEU 8 1.492 4.542 -5.330 60 H VAL 9 H VAL 9 -1.941 8.118 -6.088 61 HA VAL 9 HA VAL 9 -1.783 10.416 -7.927 62 HB VAL 9 HB VAL 9 -3.346 11.550 -6.310 63 HG11 VAL 9 1HG1 VAL 9 -3.986 10.401 -8.490 64 HG12 VAL 9 2HG1 VAL 9 -4.572 9.072 -7.487 65 HG13 VAL 9 3HG1 VAL 9 -5.279 10.680 -7.324 66 HG21 VAL 9 3HG2 VAL 9 -4.436 9.064 -5.287 67 HG22 VAL 9 1HG2 VAL 9 -2.792 9.356 -4.718 68 HG23 VAL 9 2HG2 VAL 9 -4.050 10.560 -4.439 69 H LEU 10 H LEU 10 -0.693 12.244 -7.302 70 HA LEU 10 HA LEU 10 1.008 11.950 -4.927 71 HB2 LEU 10 1HB LEU 10 2.214 12.207 -7.003 72 HB3 LEU 10 2HB LEU 10 1.307 13.668 -7.385 73 HG LEU 10 HG LEU 10 2.399 14.481 -5.101 74 HD11 LEU 10 1HD1 LEU 10 4.895 13.467 -5.613 75 HD12 LEU 10 2HD1 LEU 10 3.854 12.056 -5.801 76 HD13 LEU 10 3HD1 LEU 10 3.832 12.973 -4.295 77 HD21 LEU 10 3HD2 LEU 10 3.693 14.422 -7.821 78 HD22 LEU 10 1HD2 LEU 10 4.266 15.416 -6.482 79 HD23 LEU 10 2HD2 LEU 10 2.653 15.678 -7.147 80 H ALA 11 H ALA 11 1.028 13.442 -3.317 81 HA ALA 11 HA ALA 11 -1.210 15.247 -3.162 82 HB1 ALA 11 1HB ALA 11 -0.664 14.092 -1.166 83 HB2 ALA 11 2HB ALA 11 1.025 14.594 -1.256 84 HB3 ALA 11 3HB ALA 11 -0.230 15.781 -0.904 85 H LEU 12 H LEU 12 -1.229 17.343 -3.649 86 HA LEU 12 HA LEU 12 1.309 18.636 -4.334 87 HB2 LEU 12 1HB LEU 12 -1.509 19.544 -4.899 88 HB3 LEU 12 2HB LEU 12 -0.029 20.266 -5.527 89 HG LEU 12 HG LEU 12 -1.067 17.511 -6.194 90 HD11 LEU 12 1HD1 LEU 12 -1.495 20.163 -7.358 91 HD12 LEU 12 2HD1 LEU 12 -2.424 18.675 -7.541 92 HD13 LEU 12 3HD1 LEU 12 -0.975 18.934 -8.512 93 HD21 LEU 12 3HD2 LEU 12 0.923 17.053 -7.066 94 HD22 LEU 12 1HD2 LEU 12 1.543 18.524 -6.317 95 HD23 LEU 12 2HD2 LEU 12 0.928 18.568 -7.970 96 H TYR 13 H TYR 13 -1.225 18.682 -2.008 97 HA TYR 13 HA TYR 13 -0.007 21.056 -0.761 98 HB2 TYR 13 1HB TYR 13 -2.941 20.361 -0.957 99 HB3 TYR 13 2HB TYR 13 -2.305 21.585 0.136 100 HD1 TYR 13 HD1 TYR 13 -2.360 20.660 -3.477 101 HD2 TYR 13 HD2 TYR 13 -2.107 23.781 -0.596 102 HE1 TYR 13 HE1 TYR 13 -2.487 22.327 -5.280 103 HE2 TYR 13 HE2 TYR 13 -2.235 25.457 -2.391 104 HH TYR 13 HH TYR 13 -1.702 24.807 -5.553 105 H ASP 14 H ASP 14 -0.449 21.182 1.607 106 HA ASP 14 HA ASP 14 -0.019 18.558 2.790 107 HB2 ASP 14 1HB ASP 14 0.613 19.801 4.810 108 HB3 ASP 14 2HB ASP 14 1.496 20.388 3.403 109 H TYR 15 H TYR 15 -1.409 17.520 4.106 110 HA TYR 15 HA TYR 15 -3.843 18.933 4.955 111 HB2 TYR 15 1HB TYR 15 -4.141 17.434 2.886 112 HB3 TYR 15 2HB TYR 15 -3.916 16.081 3.990 113 HD1 TYR 15 HD2 TYR 15 -5.940 19.218 3.743 114 HD2 TYR 15 HD1 TYR 15 -5.810 15.122 4.888 115 HE1 TYR 15 HE2 TYR 15 -8.325 19.314 4.335 116 HE2 TYR 15 HE1 TYR 15 -8.195 15.206 5.483 117 HH TYR 15 HH TYR 15 -9.970 18.210 5.538 118 H GLN 16 H GLN 16 -5.032 17.729 6.679 119 HA GLN 16 HA GLN 16 -3.251 16.074 8.328 120 HB2 GLN 16 1HB GLN 16 -3.711 17.310 10.296 121 HB3 GLN 16 2HB GLN 16 -3.285 18.496 9.070 122 HG2 GLN 16 1HG GLN 16 -6.092 17.786 9.891 123 HG3 GLN 16 2HG GLN 16 -5.188 19.192 10.453 124 HE21 GLN 16 2HE2 GLN 16 -7.424 18.146 8.281 125 HE22 GLN 16 1HE2 GLN 16 -7.284 19.397 7.098 126 H GLU 17 H GLU 17 -4.206 14.373 9.306 127 HA GLU 17 HA GLU 17 -6.866 13.676 8.529 128 HB2 GLU 17 1HB GLU 17 -6.481 11.634 9.856 129 HB3 GLU 17 2HB GLU 17 -5.160 11.959 8.742 130 HG2 GLU 17 1HG GLU 17 -3.928 11.480 10.566 131 HG3 GLU 17 2HG GLU 17 -4.188 13.192 10.891 132 H LYS 18 H LYS 18 -8.710 14.092 9.544 133 HA LYS 18 HA LYS 18 -8.598 14.902 12.376 134 HB2 LYS 18 1HB LYS 18 -10.711 16.218 11.813 135 HB3 LYS 18 2HB LYS 18 -9.193 16.849 11.189 136 HG2 LYS 18 1HG LYS 18 -9.700 16.298 9.013 137 HG3 LYS 18 2HG LYS 18 -10.845 15.040 9.486 138 HD2 LYS 18 1HD LYS 18 -11.338 17.957 10.034 139 HD3 LYS 18 2HD LYS 18 -11.822 17.185 8.522 140 HE2 LYS 18 1HE LYS 18 -13.221 15.623 9.724 141 HE3 LYS 18 2HE LYS 18 -12.663 16.264 11.269 142 HZ1 LYS 18 3HZ LYS 18 -14.817 17.136 9.735 143 HZ2 LYS 18 1HZ LYS 18 -13.665 18.374 9.707 144 HZ3 LYS 18 2HZ LYS 18 -14.243 17.791 11.185 145 H SER 19 H SER 19 -10.375 13.168 9.887 146 HA SER 19 HA SER 19 -12.230 12.106 11.885 147 HB2 SER 19 1HB SER 19 -12.519 11.120 9.141 148 HB3 SER 19 2HB SER 19 -13.714 11.864 10.203 149 HG SER 19 HG SER 19 -13.482 13.417 8.763 150 HA PRO 20 HA PRO 20 -10.338 8.166 12.244 151 HB2 PRO 20 1HB PRO 20 -12.472 6.488 12.281 152 HB3 PRO 20 2HB PRO 20 -12.071 7.562 13.626 153 HG2 PRO 20 1HG PRO 20 -14.100 7.922 11.455 154 HG3 PRO 20 2HG PRO 20 -14.248 8.253 13.191 155 HD2 PRO 20 1HD PRO 20 -13.785 10.203 11.370 156 HD3 PRO 20 2HD PRO 20 -13.151 10.273 13.026 157 H ARG 21 H ARG 21 -12.283 8.870 9.499 158 HA ARG 21 HA ARG 21 -11.299 6.473 8.105 159 HB2 ARG 21 1HB ARG 21 -13.808 7.008 8.218 160 HB3 ARG 21 2HB ARG 21 -13.455 8.317 7.098 161 HG2 ARG 21 1HG ARG 21 -12.990 6.894 5.362 162 HG3 ARG 21 2HG ARG 21 -12.540 5.565 6.431 163 HD2 ARG 21 1HD ARG 21 -15.345 6.615 6.085 164 HD3 ARG 21 2HD ARG 21 -14.692 5.210 5.243 165 HE ARG 21 HE ARG 21 -15.540 5.352 7.993 166 HH11 ARG 21 1HH1 ARG 21 -13.592 3.652 5.661 167 HH12 ARG 21 2HH1 ARG 21 -13.578 2.170 6.559 168 HH21 ARG 21 1HH2 ARG 21 -15.529 3.407 9.185 169 HH22 ARG 21 2HH2 ARG 21 -14.681 2.032 8.563 170 H GLU 22 H GLU 22 -10.896 9.827 8.384 171 HA GLU 22 HA GLU 22 -9.988 10.289 5.686 172 HB2 GLU 22 1HB GLU 22 -10.850 11.909 7.774 173 HB3 GLU 22 2HB GLU 22 -9.131 12.257 7.652 174 HG2 GLU 22 1HG GLU 22 -9.339 12.929 5.388 175 HG3 GLU 22 2HG GLU 22 -10.992 12.323 5.295 176 H VAL 23 H VAL 23 -7.900 10.482 4.969 177 HA VAL 23 HA VAL 23 -5.820 9.513 6.819 178 HB VAL 23 HB VAL 23 -4.586 8.915 4.666 179 HG11 VAL 23 1HG1 VAL 23 -5.269 6.805 4.987 180 HG12 VAL 23 2HG1 VAL 23 -6.282 7.488 6.260 181 HG13 VAL 23 3HG1 VAL 23 -6.956 7.199 4.655 182 HG21 VAL 23 3HG2 VAL 23 -5.947 8.562 2.681 183 HG22 VAL 23 1HG2 VAL 23 -7.358 9.214 3.514 184 HG23 VAL 23 2HG2 VAL 23 -5.983 10.260 3.157 185 H THR 24 H THR 24 -3.682 10.390 6.596 186 HA THR 24 HA THR 24 -3.733 13.236 6.047 187 HB THR 24 HB THR 24 -1.407 11.581 7.038 188 HG1 THR 24 HG1 THR 24 -2.122 12.262 9.121 189 HG21 THR 24 3HG2 THR 24 -1.138 14.042 8.129 190 HG22 THR 24 1HG2 THR 24 -1.893 14.454 6.590 191 HG23 THR 24 2HG2 THR 24 -0.379 13.549 6.616 192 H MET 25 H MET 25 -2.285 14.316 4.653 193 HA MET 25 HA MET 25 -0.674 12.756 2.815 194 HB2 MET 25 1HB MET 25 -1.771 13.837 0.823 195 HB3 MET 25 2HB MET 25 -2.744 12.624 1.643 196 HG2 MET 25 1HG MET 25 -4.049 14.328 2.725 197 HG3 MET 25 2HG MET 25 -3.011 15.589 2.064 198 HE1 MET 25 3HE MET 25 -5.319 16.696 -0.592 199 HE2 MET 25 1HE MET 25 -5.144 16.874 1.154 200 HE3 MET 25 2HE MET 25 -3.721 16.940 0.114 201 H LYS 26 H LYS 26 1.162 13.811 2.472 202 HA LYS 26 HA LYS 26 1.172 16.742 2.789 203 HB2 LYS 26 1HB LYS 26 2.435 15.803 4.577 204 HB3 LYS 26 2HB LYS 26 3.259 14.684 3.499 205 HG2 LYS 26 1HG LYS 26 4.796 16.398 4.078 206 HG3 LYS 26 2HG LYS 26 4.327 16.651 2.396 207 HD2 LYS 26 1HD LYS 26 2.586 18.279 3.293 208 HD3 LYS 26 2HD LYS 26 3.446 18.181 4.832 209 HE2 LYS 26 1HE LYS 26 5.540 18.758 3.454 210 HE3 LYS 26 2HE LYS 26 4.406 19.254 2.199 211 HZ1 LYS 26 3HZ LYS 26 4.664 20.367 4.936 212 HZ2 LYS 26 1HZ LYS 26 3.368 20.724 3.908 213 HZ3 LYS 26 2HZ LYS 26 4.942 21.162 3.468 214 H LYS 27 H LYS 27 2.457 17.973 1.385 215 HA LYS 27 HA LYS 27 2.438 17.342 -1.278 216 HB2 LYS 27 1HB LYS 27 4.364 19.134 0.210 217 HB3 LYS 27 2HB LYS 27 4.223 19.088 -1.542 218 HG2 LYS 27 1HG LYS 27 2.705 20.692 -1.337 219 HG3 LYS 27 2HG LYS 27 1.622 19.457 -0.690 220 HD2 LYS 27 1HD LYS 27 1.916 20.138 1.473 221 HD3 LYS 27 2HD LYS 27 3.549 20.740 1.176 222 HE2 LYS 27 1HE LYS 27 1.582 22.217 -0.344 223 HE3 LYS 27 2HE LYS 27 1.213 22.243 1.380 224 HZ1 LYS 27 3HZ LYS 27 3.740 23.096 0.081 225 HZ2 LYS 27 1HZ LYS 27 3.544 22.955 1.755 226 HZ3 LYS 27 2HZ LYS 27 2.623 24.077 0.888 227 H GLY 28 H GLY 28 3.372 15.749 -2.369 228 HA2 GLY 28 1HA GLY 28 5.463 14.884 -3.270 229 HA3 GLY 28 2HA GLY 28 6.139 15.008 -1.652 230 H ASP 29 H ASP 29 3.392 13.942 -0.715 231 HA ASP 29 HA ASP 29 4.219 11.218 -0.521 232 HB2 ASP 29 1HB ASP 29 2.741 12.721 1.086 233 HB3 ASP 29 2HB ASP 29 1.424 12.038 0.136 234 H ILE 30 H ILE 30 2.804 9.379 -1.106 235 HA ILE 30 HA ILE 30 1.199 9.860 -3.517 236 HB ILE 30 HB ILE 30 3.227 7.633 -3.320 237 HG12 ILE 30 1HG1 ILE 30 3.372 10.191 -4.930 238 HG13 ILE 30 2HG1 ILE 30 4.314 9.854 -3.482 239 HG21 ILE 30 1HG2 ILE 30 1.628 8.618 -5.678 240 HG22 ILE 30 2HG2 ILE 30 2.714 7.230 -5.637 241 HG23 ILE 30 3HG2 ILE 30 1.218 7.206 -4.705 242 HD11 ILE 30 3HD1 ILE 30 5.880 9.075 -4.839 243 HD12 ILE 30 1HD1 ILE 30 4.824 7.692 -5.123 244 HD13 ILE 30 2HD1 ILE 30 4.785 9.072 -6.221 245 H LEU 31 H LEU 31 -0.648 8.726 -3.587 246 HA LEU 31 HA LEU 31 -0.956 6.453 -1.742 247 HB2 LEU 31 1HB LEU 31 -3.231 8.289 -2.371 248 HB3 LEU 31 2HB LEU 31 -3.041 7.177 -1.017 249 HG LEU 31 HG LEU 31 -1.697 9.850 -1.390 250 HD11 LEU 31 1HD1 LEU 31 -3.759 10.351 -0.537 251 HD12 LEU 31 2HD1 LEU 31 -2.867 10.052 0.955 252 HD13 LEU 31 3HD1 LEU 31 -3.919 8.802 0.291 253 HD21 LEU 31 3HD2 LEU 31 -0.016 9.035 -0.177 254 HD22 LEU 31 1HD2 LEU 31 -0.878 7.529 0.143 255 HD23 LEU 31 2HD2 LEU 31 -1.156 8.938 1.167 256 H THR 32 H THR 32 -2.879 5.076 -2.322 257 HA THR 32 HA THR 32 -2.894 4.678 -5.225 258 HB THR 32 HB THR 32 -3.891 2.786 -3.089 259 HG1 THR 32 HG1 THR 32 -1.613 3.190 -2.931 260 HG21 THR 32 3HG2 THR 32 -4.238 2.785 -5.862 261 HG22 THR 32 1HG2 THR 32 -4.522 1.443 -4.755 262 HG23 THR 32 2HG2 THR 32 -2.959 1.610 -5.555 263 H LEU 33 H LEU 33 -4.528 5.605 -6.269 264 HA LEU 33 HA LEU 33 -6.910 6.502 -5.086 265 HB2 LEU 33 1HB LEU 33 -5.709 6.992 -7.414 266 HB3 LEU 33 2HB LEU 33 -6.905 5.825 -7.973 267 HG LEU 33 HG LEU 33 -7.834 7.962 -8.345 268 HD11 LEU 33 1HD1 LEU 33 -9.784 7.995 -6.861 269 HD12 LEU 33 2HD1 LEU 33 -8.972 6.866 -5.777 270 HD13 LEU 33 3HD1 LEU 33 -9.404 6.363 -7.411 271 HD21 LEU 33 3HD2 LEU 33 -8.054 9.222 -5.870 272 HD22 LEU 33 1HD2 LEU 33 -7.017 9.694 -7.216 273 HD23 LEU 33 2HD2 LEU 33 -6.388 8.647 -5.943 274 H LEU 34 H LEU 34 -8.420 5.250 -4.214 275 HA LEU 34 HA LEU 34 -8.933 2.600 -5.340 276 HB2 LEU 34 1HB LEU 34 -8.693 3.442 -2.762 277 HB3 LEU 34 2HB LEU 34 -10.443 3.443 -2.970 278 HG LEU 34 HG LEU 34 -10.376 1.077 -3.584 279 HD11 LEU 34 1HD1 LEU 34 -8.254 0.860 -4.621 280 HD12 LEU 34 2HD1 LEU 34 -8.227 -0.162 -3.185 281 HD13 LEU 34 3HD1 LEU 34 -7.413 1.403 -3.169 282 HD21 LEU 34 3HD2 LEU 34 -10.802 1.172 -1.352 283 HD22 LEU 34 1HD2 LEU 34 -9.323 2.063 -0.992 284 HD23 LEU 34 2HD2 LEU 34 -9.255 0.327 -1.294 285 H ASN 35 H ASN 35 -10.645 5.579 -4.459 286 HA ASN 35 HA ASN 35 -12.701 4.897 -6.433 287 HB2 ASN 35 1HB ASN 35 -13.199 4.589 -3.765 288 HB3 ASN 35 2HB ASN 35 -13.734 6.246 -4.027 289 HD21 ASN 35 2HD2 ASN 35 -15.346 6.626 -5.647 290 HD22 ASN 35 1HD2 ASN 35 -16.481 5.385 -6.042 291 H SER 36 H SER 36 -12.900 6.500 -7.837 292 HA SER 36 HA SER 36 -12.369 9.251 -6.921 293 HB2 SER 36 1HB SER 36 -11.813 9.429 -9.559 294 HB3 SER 36 2HB SER 36 -10.592 9.072 -8.337 295 HG SER 36 HG SER 36 -11.281 7.579 -10.381 296 H THR 37 H THR 37 -14.879 7.624 -7.234 297 HA THR 37 HA THR 37 -16.382 8.371 -9.439 298 HB THR 37 HB THR 37 -17.157 6.729 -7.778 299 HG1 THR 37 HG1 THR 37 -19.244 7.229 -8.118 300 HG21 THR 37 3HG2 THR 37 -17.840 7.265 -5.625 301 HG22 THR 37 1HG2 THR 37 -18.029 8.977 -6.000 302 HG23 THR 37 2HG2 THR 37 -16.416 8.284 -5.829 303 H ASN 38 H ASN 38 -15.554 10.200 -6.574 304 HA ASN 38 HA ASN 38 -17.313 12.393 -7.376 305 HB2 ASN 38 1HB ASN 38 -16.714 11.414 -4.905 306 HB3 ASN 38 2HB ASN 38 -15.575 12.753 -5.020 307 HD21 ASN 38 2HD2 ASN 38 -17.530 12.788 -3.137 308 HD22 ASN 38 1HD2 ASN 38 -18.704 13.995 -3.525 309 H LYS 39 H LYS 39 -16.336 14.641 -7.132 310 HA LYS 39 HA LYS 39 -13.720 14.668 -8.482 311 HB2 LYS 39 1HB LYS 39 -14.403 16.886 -9.359 312 HB3 LYS 39 2HB LYS 39 -15.470 15.585 -9.873 313 HG2 LYS 39 1HG LYS 39 -16.210 17.085 -7.425 314 HG3 LYS 39 2HG LYS 39 -16.390 17.899 -8.981 315 HD2 LYS 39 1HD LYS 39 -18.060 16.510 -9.668 316 HD3 LYS 39 2HD LYS 39 -17.428 15.128 -8.769 317 HE2 LYS 39 1HE LYS 39 -19.370 15.651 -7.614 318 HE3 LYS 39 2HE LYS 39 -18.124 16.471 -6.674 319 HZ1 LYS 39 3HZ LYS 39 -20.309 17.695 -7.402 320 HZ2 LYS 39 1HZ LYS 39 -19.433 17.964 -8.824 321 HZ3 LYS 39 2HZ LYS 39 -18.829 18.513 -7.343 322 H ASP 40 H ASP 40 -15.490 15.740 -5.723 323 HA ASP 40 HA ASP 40 -13.416 17.651 -4.961 324 HB2 ASP 40 1HB ASP 40 -15.970 16.934 -3.507 325 HB3 ASP 40 2HB ASP 40 -14.907 18.293 -3.154 326 H TRP 41 H TRP 41 -15.065 14.831 -3.532 327 HA TRP 41 HA TRP 41 -12.778 14.474 -1.731 328 HB2 TRP 41 1HB TRP 41 -15.593 13.382 -1.683 329 HB3 TRP 41 2HB TRP 41 -14.327 12.808 -0.600 330 HD1 TRP 41 HD1 TRP 41 -16.947 15.408 -0.870 331 HE1 TRP 41 HE1 TRP 41 -16.709 17.126 1.032 332 HE3 TRP 41 HE3 TRP 41 -12.303 14.105 0.825 333 HZ2 TRP 41 HZ2 TRP 41 -14.805 17.834 2.991 334 HZ3 TRP 41 HZ3 TRP 41 -11.345 15.352 2.716 335 HH2 TRP 41 HH2 TRP 41 -12.571 17.179 3.776 336 H TRP 42 H TRP 42 -11.231 13.216 -2.535 337 HA TRP 42 HA TRP 42 -11.972 10.956 -4.253 338 HB2 TRP 42 1HB TRP 42 -9.560 12.670 -3.987 339 HB3 TRP 42 2HB TRP 42 -9.292 10.984 -4.420 340 HD1 TRP 42 HD1 TRP 42 -12.493 12.342 -5.797 341 HE1 TRP 42 HE1 TRP 42 -12.236 12.801 -8.317 342 HE3 TRP 42 HE3 TRP 42 -7.421 11.838 -6.202 343 HZ2 TRP 42 HZ2 TRP 42 -10.159 12.931 -10.224 344 HZ3 TRP 42 HZ3 TRP 42 -6.378 12.145 -8.409 345 HH2 TRP 42 HH2 TRP 42 -7.720 12.679 -10.377 346 H LYS 43 H LYS 43 -11.618 8.883 -3.678 347 HA LYS 43 HA LYS 43 -10.699 8.403 -0.944 348 HB2 LYS 43 1HB LYS 43 -11.899 6.357 -2.800 349 HB3 LYS 43 2HB LYS 43 -11.830 6.325 -1.043 350 HG2 LYS 43 1HG LYS 43 -13.349 8.335 -1.062 351 HG3 LYS 43 2HG LYS 43 -13.561 8.050 -2.791 352 HD2 LYS 43 1HD LYS 43 -14.100 5.598 -1.949 353 HD3 LYS 43 2HD LYS 43 -14.513 6.458 -0.464 354 HE2 LYS 43 1HE LYS 43 -15.821 8.012 -2.158 355 HE3 LYS 43 2HE LYS 43 -15.800 6.552 -3.146 356 HZ1 LYS 43 3HZ LYS 43 -17.301 7.131 -0.754 357 HZ2 LYS 43 1HZ LYS 43 -16.559 5.611 -0.740 358 HZ3 LYS 43 2HZ LYS 43 -17.621 6.022 -1.991 359 H VAL 44 H VAL 44 -8.674 7.799 -0.600 360 HA VAL 44 HA VAL 44 -7.324 6.155 -2.637 361 HB VAL 44 HB VAL 44 -5.182 7.347 -1.752 362 HG11 VAL 44 1HG1 VAL 44 -5.677 9.265 -3.433 363 HG12 VAL 44 2HG1 VAL 44 -5.624 7.598 -4.010 364 HG13 VAL 44 3HG1 VAL 44 -7.177 8.385 -3.724 365 HG21 VAL 44 3HG2 VAL 44 -7.290 9.418 -1.140 366 HG22 VAL 44 1HG2 VAL 44 -6.279 8.584 0.041 367 HG23 VAL 44 2HG2 VAL 44 -5.547 9.686 -1.125 368 H GLU 45 H GLU 45 -5.493 4.897 -1.783 369 HA GLU 45 HA GLU 45 -6.013 4.062 0.992 370 HB2 GLU 45 1HB GLU 45 -6.324 2.452 -1.030 371 HB3 GLU 45 2HB GLU 45 -4.568 2.367 -1.018 372 HG2 GLU 45 1HG GLU 45 -4.526 1.414 1.135 373 HG3 GLU 45 2HG GLU 45 -6.221 1.804 1.422 374 H VAL 46 H VAL 46 -4.380 3.979 2.452 375 HA VAL 46 HA VAL 46 -1.709 4.806 1.514 376 HB VAL 46 HB VAL 46 -1.358 5.959 3.614 377 HG11 VAL 46 1HG1 VAL 46 -4.039 6.808 2.538 378 HG12 VAL 46 2HG1 VAL 46 -2.801 7.821 3.283 379 HG13 VAL 46 3HG1 VAL 46 -2.517 7.100 1.698 380 HG21 VAL 46 3HG2 VAL 46 -2.682 4.503 5.059 381 HG22 VAL 46 1HG2 VAL 46 -3.145 6.192 5.269 382 HG23 VAL 46 2HG2 VAL 46 -4.166 5.109 4.323 383 H LYS 47 H LYS 47 -0.083 4.353 3.475 384 HA LYS 47 HA LYS 47 -0.542 1.585 4.372 385 HB2 LYS 47 1HB LYS 47 1.087 1.865 2.424 386 HB3 LYS 47 2HB LYS 47 2.157 2.662 3.570 387 HG2 LYS 47 1HG LYS 47 2.363 0.687 4.876 388 HG3 LYS 47 2HG LYS 47 1.078 -0.116 3.972 389 HD2 LYS 47 1HD LYS 47 3.379 0.870 2.398 390 HD3 LYS 47 2HD LYS 47 3.690 -0.493 3.476 391 HE2 LYS 47 1HE LYS 47 2.091 -1.842 2.399 392 HE3 LYS 47 2HE LYS 47 1.368 -0.464 1.570 393 HZ1 LYS 47 3HZ LYS 47 3.072 -2.113 0.403 394 HZ2 LYS 47 1HZ LYS 47 4.177 -0.987 1.015 395 HZ3 LYS 47 2HZ LYS 47 2.944 -0.481 -0.026 396 H ILE 48 H ILE 48 -0.227 1.223 6.478 397 HA ILE 48 HA ILE 48 1.249 3.247 8.030 398 HB ILE 48 HB ILE 48 -1.212 1.747 8.934 399 HG12 ILE 48 1HG1 ILE 48 -1.901 4.342 9.084 400 HG13 ILE 48 2HG1 ILE 48 -0.776 4.428 7.733 401 HG21 ILE 48 1HG2 ILE 48 -0.101 2.077 10.903 402 HG22 ILE 48 2HG2 ILE 48 0.745 3.507 10.315 403 HG23 ILE 48 3HG2 ILE 48 -0.953 3.616 10.778 404 HD11 ILE 48 3HD1 ILE 48 -3.263 4.078 7.240 405 HD12 ILE 48 1HD1 ILE 48 -2.092 3.066 6.394 406 HD13 ILE 48 2HD1 ILE 48 -2.988 2.418 7.768 407 H THR 49 H THR 49 2.529 2.522 9.713 408 HA THR 49 HA THR 49 2.978 -0.390 9.779 409 HB THR 49 HB THR 49 4.950 1.810 10.427 410 HG1 THR 49 HG1 THR 49 5.941 0.804 8.444 411 HG21 THR 49 3HG2 THR 49 6.135 0.220 11.442 412 HG22 THR 49 1HG2 THR 49 6.229 -0.646 9.910 413 HG23 THR 49 2HG2 THR 49 4.919 -0.992 11.039 414 H VAL 50 H VAL 50 2.545 -1.416 11.615 415 HA VAL 50 HA VAL 50 2.718 0.039 14.155 416 HB VAL 50 HB VAL 50 0.352 -1.656 13.340 417 HG11 VAL 50 1HG1 VAL 50 0.968 -0.243 15.933 418 HG12 VAL 50 2HG1 VAL 50 -0.577 -0.996 15.531 419 HG13 VAL 50 3HG1 VAL 50 0.877 -1.985 15.677 420 HG21 VAL 50 3HG2 VAL 50 0.802 1.287 13.544 421 HG22 VAL 50 1HG2 VAL 50 -0.069 0.363 12.320 422 HG23 VAL 50 2HG2 VAL 50 -0.793 0.628 13.906 423 H ASN 51 H ASN 51 3.862 -1.064 15.598 424 HA ASN 51 HA ASN 51 4.989 -2.745 16.636 425 HB2 ASN 51 1HB ASN 51 2.471 -3.481 16.783 426 HB3 ASN 51 2HB ASN 51 2.977 -4.735 15.654 427 HD21 ASN 51 2HD2 ASN 51 2.077 -5.718 17.856 428 HD22 ASN 51 1HD2 ASN 51 3.325 -6.230 18.935 429 H GLY 52 H GLY 52 5.478 -2.170 13.765 430 HA2 GLY 52 1HA GLY 52 7.137 -2.961 12.338 431 HA3 GLY 52 2HA GLY 52 7.181 -4.456 13.261 432 H LYS 53 H LYS 53 4.021 -3.701 12.487 433 HA LYS 53 HA LYS 53 4.085 -5.583 10.227 434 HB2 LYS 53 1HB LYS 53 1.684 -4.852 11.902 435 HB3 LYS 53 2HB LYS 53 1.838 -6.196 10.779 436 HG2 LYS 53 1HG LYS 53 3.412 -5.904 13.329 437 HG3 LYS 53 2HG LYS 53 1.951 -6.878 13.146 438 HD2 LYS 53 1HD LYS 53 3.098 -8.186 11.382 439 HD3 LYS 53 2HD LYS 53 4.568 -7.257 11.690 440 HE2 LYS 53 1HE LYS 53 4.365 -8.029 14.102 441 HE3 LYS 53 2HE LYS 53 3.147 -9.168 13.528 442 HZ1 LYS 53 3HZ LYS 53 5.174 -9.586 11.811 443 HZ2 LYS 53 1HZ LYS 53 4.891 -10.504 13.203 444 HZ3 LYS 53 2HZ LYS 53 6.015 -9.241 13.237 445 H THR 54 H THR 54 2.830 -5.175 8.374 446 HA THR 54 HA THR 54 2.422 -2.329 7.857 447 HB THR 54 HB THR 54 1.873 -3.686 5.495 448 HG1 THR 54 HG1 THR 54 3.429 -5.257 5.313 449 HG21 THR 54 3HG2 THR 54 4.408 -2.423 6.529 450 HG22 THR 54 1HG2 THR 54 3.144 -1.664 5.562 451 HG23 THR 54 2HG2 THR 54 4.174 -2.906 4.850 452 H TYR 55 H TYR 55 0.479 -1.418 7.476 453 HA TYR 55 HA TYR 55 -1.863 -3.191 7.293 454 HB2 TYR 55 1HB TYR 55 -1.509 -0.741 9.018 455 HB3 TYR 55 2HB TYR 55 -3.091 -1.409 8.632 456 HD1 TYR 55 HD2 TYR 55 -3.810 -3.533 9.576 457 HD2 TYR 55 HD1 TYR 55 0.008 -1.906 10.515 458 HE1 TYR 55 HE2 TYR 55 -3.608 -5.106 11.456 459 HE2 TYR 55 HE1 TYR 55 0.221 -3.476 12.397 460 HH TYR 55 HH TYR 55 -2.313 -5.869 13.088 461 H GLU 56 H GLU 56 -3.640 -2.388 6.112 462 HA GLU 56 HA GLU 56 -3.049 -0.034 4.441 463 HB2 GLU 56 1HB GLU 56 -3.994 -2.762 3.671 464 HB3 GLU 56 2HB GLU 56 -4.552 -1.380 2.739 465 HG2 GLU 56 1HG GLU 56 -1.642 -1.625 3.257 466 HG3 GLU 56 2HG GLU 56 -2.377 -2.721 2.088 467 H ARG 57 H ARG 57 -4.802 1.256 3.824 468 HA ARG 57 HA ARG 57 -7.492 0.646 4.535 469 HB2 ARG 57 1HB ARG 57 -7.708 2.540 6.198 470 HB3 ARG 57 2HB ARG 57 -6.863 1.110 6.776 471 HG2 ARG 57 1HG ARG 57 -4.779 2.165 6.697 472 HG3 ARG 57 2HG ARG 57 -5.378 3.461 5.660 473 HD2 ARG 57 1HD ARG 57 -5.344 4.559 7.660 474 HD3 ARG 57 2HD ARG 57 -6.974 3.890 7.720 475 HE ARG 57 HE ARG 57 -5.108 2.097 8.876 476 HH11 ARG 57 1HH1 ARG 57 -6.806 5.075 9.482 477 HH12 ARG 57 2HH1 ARG 57 -6.784 4.889 11.204 478 HH21 ARG 57 1HH2 ARG 57 -5.073 1.841 11.142 479 HH22 ARG 57 2HH2 ARG 57 -5.797 3.050 12.148 480 H GLN 58 H GLN 58 -8.968 2.139 3.704 481 HA GLN 58 HA GLN 58 -7.774 4.122 1.894 482 HB2 GLN 58 1HB GLN 58 -9.651 3.877 0.485 483 HB3 GLN 58 2HB GLN 58 -9.236 2.244 0.988 484 HG2 GLN 58 1HG GLN 58 -11.019 2.275 2.635 485 HG3 GLN 58 2HG GLN 58 -11.415 3.935 2.193 486 HE21 GLN 58 2HE2 GLN 58 -11.330 3.883 -0.506 487 HE22 GLN 58 1HE2 GLN 58 -12.537 2.814 -1.128 488 H GLY 59 H GLY 59 -8.364 6.245 1.950 489 HA2 GLY 59 1HA GLY 59 -10.479 7.043 3.829 490 HA3 GLY 59 2HA GLY 59 -8.870 7.722 4.022 491 H PHE 60 H PHE 60 -11.234 9.222 3.559 492 HA PHE 60 HA PHE 60 -11.198 10.020 0.775 493 HB2 PHE 60 1HB PHE 60 -12.699 11.209 3.119 494 HB3 PHE 60 2HB PHE 60 -12.965 11.593 1.421 495 HD1 PHE 60 HD2 PHE 60 -13.156 8.861 3.912 496 HD2 PHE 60 HD1 PHE 60 -14.399 10.298 0.103 497 HE1 PHE 60 HE2 PHE 60 -14.793 7.031 3.761 498 HE2 PHE 60 HE1 PHE 60 -16.039 8.470 -0.054 499 HZ PHE 60 HZ PHE 60 -16.237 6.833 1.775 500 H VAL 61 H VAL 61 -10.503 11.993 -0.025 501 HA VAL 61 HA VAL 61 -9.282 13.935 1.743 502 HB VAL 61 HB VAL 61 -7.138 13.885 0.345 503 HG11 VAL 61 1HG1 VAL 61 -6.074 12.404 1.861 504 HG12 VAL 61 2HG1 VAL 61 -7.417 13.142 2.738 505 HG13 VAL 61 3HG1 VAL 61 -7.562 11.495 2.124 506 HG21 VAL 61 3HG2 VAL 61 -6.537 11.693 -0.589 507 HG22 VAL 61 1HG2 VAL 61 -8.166 11.111 -0.244 508 HG23 VAL 61 2HG2 VAL 61 -7.922 12.404 -1.418 509 HA PRO 62 HA PRO 62 -10.534 16.749 -1.386 510 HB2 PRO 62 1HB PRO 62 -8.679 18.713 -1.114 511 HB3 PRO 62 2HB PRO 62 -9.965 18.436 0.066 512 HG2 PRO 62 1HG PRO 62 -7.099 17.575 0.150 513 HG3 PRO 62 2HG PRO 62 -8.102 18.254 1.446 514 HD2 PRO 62 1HD PRO 62 -7.596 15.602 1.232 515 HD3 PRO 62 2HD PRO 62 -9.121 16.234 1.887 516 H ALA 63 H ALA 63 -10.303 16.064 -3.440 517 HA ALA 63 HA ALA 63 -7.899 15.269 -4.654 518 HB1 ALA 63 1HB ALA 63 -10.353 14.834 -5.354 519 HB2 ALA 63 2HB ALA 63 -10.191 16.346 -6.247 520 HB3 ALA 63 3HB ALA 63 -9.119 14.992 -6.604 521 H ALA 64 H ALA 64 -9.393 18.394 -4.285 522 HA ALA 64 HA ALA 64 -7.982 19.769 -6.311 523 HB1 ALA 64 1HB ALA 64 -9.147 20.845 -3.745 524 HB2 ALA 64 2HB ALA 64 -8.660 21.803 -5.144 525 HB3 ALA 64 3HB ALA 64 -10.003 20.668 -5.277 526 H TYR 65 H TYR 65 -6.953 18.449 -3.370 527 HA TYR 65 HA TYR 65 -4.661 20.273 -3.184 528 HB2 TYR 65 1HB TYR 65 -6.020 18.437 -1.259 529 HB3 TYR 65 2HB TYR 65 -4.309 18.778 -1.027 530 HD1 TYR 65 HD2 TYR 65 -6.867 21.129 -2.321 531 HD2 TYR 65 HD1 TYR 65 -4.379 20.049 0.957 532 HE1 TYR 65 HE2 TYR 65 -7.444 23.239 -1.196 533 HE2 TYR 65 HE1 TYR 65 -4.950 22.155 2.092 534 HH TYR 65 HH TYR 65 -7.028 24.574 0.539 535 H VAL 66 H VAL 66 -5.435 17.528 -4.748 536 HA VAL 66 HA VAL 66 -2.642 16.630 -4.782 537 HB VAL 66 HB VAL 66 -3.296 14.286 -4.803 538 HG11 VAL 66 1HG1 VAL 66 -3.404 14.084 -2.546 539 HG12 VAL 66 2HG1 VAL 66 -3.079 15.817 -2.624 540 HG13 VAL 66 3HG1 VAL 66 -4.729 15.238 -2.394 541 HG21 VAL 66 3HG2 VAL 66 -5.986 14.499 -3.833 542 HG22 VAL 66 1HG2 VAL 66 -5.845 15.308 -5.393 543 HG23 VAL 66 2HG2 VAL 66 -5.372 13.617 -5.231 544 H LYS 67 H LYS 67 -2.523 14.814 -6.620 545 HA LYS 67 HA LYS 67 -4.231 15.347 -8.883 546 HB2 LYS 67 1HB LYS 67 -2.538 16.202 -10.357 547 HB3 LYS 67 2HB LYS 67 -2.583 17.224 -8.927 548 HG2 LYS 67 1HG LYS 67 -0.597 16.208 -8.060 549 HG3 LYS 67 2HG LYS 67 -0.597 15.001 -9.348 550 HD2 LYS 67 1HD LYS 67 -0.588 17.853 -10.161 551 HD3 LYS 67 2HD LYS 67 0.893 17.214 -9.445 552 HE2 LYS 67 1HE LYS 67 1.108 15.568 -11.125 553 HE3 LYS 67 2HE LYS 67 -0.540 15.826 -11.695 554 HZ1 LYS 67 3HZ LYS 67 1.874 17.377 -12.227 555 HZ2 LYS 67 1HZ LYS 67 0.424 18.237 -12.090 556 HZ3 LYS 67 2HZ LYS 67 0.575 17.014 -13.247 557 H LYS 68 H LYS 68 -3.616 14.009 -10.780 558 HA LYS 68 HA LYS 68 -2.989 11.356 -9.938 559 HB2 LYS 68 1HB LYS 68 -4.533 12.210 -11.880 560 HB3 LYS 68 2HB LYS 68 -3.048 12.167 -12.821 561 HG2 LYS 68 1HG LYS 68 -2.833 9.851 -12.596 562 HG3 LYS 68 2HG LYS 68 -3.977 9.787 -11.253 563 HD2 LYS 68 1HD LYS 68 -5.680 10.690 -12.987 564 HD3 LYS 68 2HD LYS 68 -4.511 10.123 -14.182 565 HE2 LYS 68 1HE LYS 68 -5.588 8.379 -11.978 566 HE3 LYS 68 2HE LYS 68 -6.350 8.501 -13.562 567 HZ1 LYS 68 3HZ LYS 68 -4.126 6.950 -12.791 568 HZ2 LYS 68 1HZ LYS 68 -3.650 8.035 -13.999 569 HZ3 LYS 68 2HZ LYS 68 -4.937 6.974 -14.276 570 H LEU 69 H LEU 69 -1.115 10.271 -10.014 571 HA LEU 69 HA LEU 69 1.301 11.695 -10.615 572 HB2 LEU 69 1HB LEU 69 1.060 10.054 -8.759 573 HB3 LEU 69 2HB LEU 69 0.944 8.774 -9.965 574 HG LEU 69 HG LEU 69 3.264 9.609 -10.741 575 HD11 LEU 69 1HD1 LEU 69 3.279 10.672 -7.923 576 HD12 LEU 69 2HD1 LEU 69 3.181 11.677 -9.368 577 HD13 LEU 69 3HD1 LEU 69 4.611 10.687 -9.078 578 HD21 LEU 69 3HD2 LEU 69 4.264 7.965 -9.467 579 HD22 LEU 69 1HD2 LEU 69 2.564 7.502 -9.384 580 HD23 LEU 69 2HD2 LEU 69 3.314 8.350 -8.031 581 H ASP 70 H ASP 70 -0.440 8.961 -12.047 582 HA ASP 70 HA ASP 70 1.461 8.511 -14.118 583 HB2 ASP 70 1HB ASP 70 -1.338 7.593 -13.573 584 HB3 ASP 70 2HB ASP 70 -0.627 7.310 -15.160 Start of MODEL 18 1 H1 MET 1 H MET 1 3.346 -7.825 -2.134 2 HA MET 1 HA MET 1 1.470 -8.760 -4.196 3 HB2 MET 1 1HB MET 1 0.572 -8.359 -1.902 4 HB3 MET 1 2HB MET 1 1.017 -6.666 -2.064 5 HG2 MET 1 1HG MET 1 -1.212 -6.635 -2.611 6 HG3 MET 1 2HG MET 1 -0.446 -6.738 -4.195 7 HE1 MET 1 3HE MET 1 -1.993 -8.324 -1.321 8 HE2 MET 1 1HE MET 1 -3.415 -8.971 -2.140 9 HE3 MET 1 2HE MET 1 -2.092 -10.046 -1.690 10 H ASP 2 H ASP 2 1.704 -7.848 -6.119 11 HA ASP 2 HA ASP 2 2.620 -5.049 -6.248 12 HB2 ASP 2 1HB ASP 2 3.066 -7.326 -8.186 13 HB3 ASP 2 2HB ASP 2 3.438 -5.644 -8.555 14 H GLU 3 H GLU 3 0.114 -4.963 -5.848 15 HA GLU 3 HA GLU 3 -1.116 -4.598 -8.491 16 HB2 GLU 3 1HB GLU 3 -2.263 -6.022 -6.106 17 HB3 GLU 3 2HB GLU 3 -3.315 -5.266 -7.296 18 HG2 GLU 3 1HG GLU 3 -1.932 -6.645 -9.007 19 HG3 GLU 3 2HG GLU 3 -1.496 -7.610 -7.598 20 H THR 4 H THR 4 0.169 -2.645 -6.904 21 HA THR 4 HA THR 4 -2.131 -0.963 -6.148 22 HB THR 4 HB THR 4 -0.891 0.063 -4.399 23 HG1 THR 4 HG1 THR 4 1.187 0.251 -4.751 24 HG21 THR 4 3HG2 THR 4 -1.845 -2.062 -3.747 25 HG22 THR 4 1HG2 THR 4 -0.289 -1.853 -2.944 26 HG23 THR 4 2HG2 THR 4 -0.423 -2.920 -4.342 27 H GLY 5 H GLY 5 -0.470 -1.313 -8.673 28 HA2 GLY 5 1HA GLY 5 0.437 1.489 -8.913 29 HA3 GLY 5 2HA GLY 5 1.128 0.154 -9.823 30 H LYS 6 H LYS 6 -2.309 0.606 -9.266 31 HA LYS 6 HA LYS 6 -2.775 0.583 -12.122 32 HB2 LYS 6 1HB LYS 6 -4.488 0.385 -9.679 33 HB3 LYS 6 2HB LYS 6 -5.236 0.837 -11.205 34 HG2 LYS 6 1HG LYS 6 -5.495 -1.482 -11.055 35 HG3 LYS 6 2HG LYS 6 -4.157 -1.244 -12.180 36 HD2 LYS 6 1HD LYS 6 -2.555 -1.718 -10.427 37 HD3 LYS 6 2HD LYS 6 -3.854 -1.848 -9.239 38 HE2 LYS 6 1HE LYS 6 -3.882 -3.585 -11.670 39 HE3 LYS 6 2HE LYS 6 -2.832 -3.997 -10.315 40 HZ1 LYS 6 3HZ LYS 6 -5.467 -3.355 -9.443 41 HZ2 LYS 6 1HZ LYS 6 -4.555 -4.752 -9.164 42 HZ3 LYS 6 2HZ LYS 6 -5.488 -4.618 -10.568 43 H GLU 7 H GLU 7 -4.073 2.661 -9.527 44 HA GLU 7 HA GLU 7 -3.678 4.976 -11.298 45 HB2 GLU 7 1HB GLU 7 -6.172 4.081 -9.914 46 HB3 GLU 7 2HB GLU 7 -5.882 5.804 -10.111 47 HG2 GLU 7 1HG GLU 7 -7.123 5.310 -11.977 48 HG3 GLU 7 2HG GLU 7 -5.476 5.197 -12.596 49 H LEU 8 H LEU 8 -1.822 5.520 -10.099 50 HA LEU 8 HA LEU 8 -2.126 6.075 -7.257 51 HB2 LEU 8 1HB LEU 8 0.211 6.145 -9.145 52 HB3 LEU 8 2HB LEU 8 0.315 6.751 -7.493 53 HG LEU 8 HG LEU 8 -0.554 3.935 -8.052 54 HD11 LEU 8 1HD1 LEU 8 2.244 5.026 -7.965 55 HD12 LEU 8 2HD1 LEU 8 1.503 4.000 -9.193 56 HD13 LEU 8 3HD1 LEU 8 1.868 3.343 -7.597 57 HD21 LEU 8 3HD2 LEU 8 0.781 3.824 -5.770 58 HD22 LEU 8 1HD2 LEU 8 -0.913 4.308 -5.832 59 HD23 LEU 8 2HD2 LEU 8 0.350 5.534 -5.717 60 H VAL 9 H VAL 9 -1.722 8.126 -6.329 61 HA VAL 9 HA VAL 9 -1.911 10.401 -8.189 62 HB VAL 9 HB VAL 9 -3.366 11.544 -6.505 63 HG11 VAL 9 1HG1 VAL 9 -4.904 9.139 -7.247 64 HG12 VAL 9 2HG1 VAL 9 -5.223 10.842 -7.582 65 HG13 VAL 9 3HG1 VAL 9 -4.058 9.952 -8.562 66 HG21 VAL 9 3HG2 VAL 9 -4.085 10.564 -4.601 67 HG22 VAL 9 1HG2 VAL 9 -4.186 8.965 -5.337 68 HG23 VAL 9 2HG2 VAL 9 -2.627 9.591 -4.799 69 H LEU 10 H LEU 10 -0.925 12.325 -7.523 70 HA LEU 10 HA LEU 10 1.035 11.978 -5.359 71 HB2 LEU 10 1HB LEU 10 2.133 12.380 -7.410 72 HB3 LEU 10 2HB LEU 10 1.020 13.679 -7.835 73 HG LEU 10 HG LEU 10 2.002 15.037 -5.993 74 HD11 LEU 10 1HD1 LEU 10 3.124 13.889 -4.440 75 HD12 LEU 10 2HD1 LEU 10 4.471 13.932 -5.577 76 HD13 LEU 10 3HD1 LEU 10 3.410 12.525 -5.521 77 HD21 LEU 10 3HD2 LEU 10 2.728 15.141 -8.402 78 HD22 LEU 10 1HD2 LEU 10 4.088 14.111 -7.955 79 HD23 LEU 10 2HD2 LEU 10 3.914 15.707 -7.225 80 H ALA 11 H ALA 11 1.071 13.319 -3.645 81 HA ALA 11 HA ALA 11 -1.138 15.174 -3.338 82 HB1 ALA 11 1HB ALA 11 -0.927 14.019 -1.382 83 HB2 ALA 11 2HB ALA 11 0.828 13.895 -1.514 84 HB3 ALA 11 3HB ALA 11 0.087 15.413 -1.008 85 H LEU 12 H LEU 12 -0.998 17.279 -3.722 86 HA LEU 12 HA LEU 12 1.602 18.481 -4.219 87 HB2 LEU 12 1HB LEU 12 -1.174 19.623 -4.498 88 HB3 LEU 12 2HB LEU 12 0.316 20.406 -5.020 89 HG LEU 12 HG LEU 12 -0.941 17.922 -6.178 90 HD11 LEU 12 1HD1 LEU 12 -2.061 19.525 -7.288 91 HD12 LEU 12 2HD1 LEU 12 -0.567 19.651 -8.216 92 HD13 LEU 12 3HD1 LEU 12 -0.880 20.774 -6.894 93 HD21 LEU 12 3HD2 LEU 12 1.257 17.381 -6.465 94 HD22 LEU 12 1HD2 LEU 12 1.792 19.061 -6.433 95 HD23 LEU 12 2HD2 LEU 12 1.022 18.409 -7.880 96 H TYR 13 H TYR 13 -0.999 18.614 -1.887 97 HA TYR 13 HA TYR 13 0.573 20.555 -0.322 98 HB2 TYR 13 1HB TYR 13 -2.432 20.227 -0.431 99 HB3 TYR 13 2HB TYR 13 -1.581 21.292 0.683 100 HD1 TYR 13 HD1 TYR 13 -2.058 20.635 -2.953 101 HD2 TYR 13 HD2 TYR 13 -1.102 23.485 0.057 102 HE1 TYR 13 HE1 TYR 13 -2.105 22.424 -4.640 103 HE2 TYR 13 HE2 TYR 13 -1.148 25.282 -1.621 104 HH TYR 13 HH TYR 13 -1.589 24.581 -5.052 105 H ASP 14 H ASP 14 -0.087 20.434 2.086 106 HA ASP 14 HA ASP 14 0.016 17.603 2.864 107 HB2 ASP 14 1HB ASP 14 1.918 18.616 3.747 108 HB3 ASP 14 2HB ASP 14 1.075 20.122 4.098 109 H TYR 15 H TYR 15 -2.008 16.904 3.219 110 HA TYR 15 HA TYR 15 -3.887 18.621 4.663 111 HB2 TYR 15 1HB TYR 15 -4.592 17.484 2.546 112 HB3 TYR 15 2HB TYR 15 -4.403 15.938 3.366 113 HD1 TYR 15 HD1 TYR 15 -6.067 19.221 4.054 114 HD2 TYR 15 HD2 TYR 15 -6.355 14.977 4.108 115 HE1 TYR 15 HE1 TYR 15 -8.371 19.394 4.898 116 HE2 TYR 15 HE2 TYR 15 -8.660 15.138 4.950 117 HH TYR 15 HH TYR 15 -10.140 18.284 5.664 118 H GLN 16 H GLN 16 -5.182 17.693 6.402 119 HA GLN 16 HA GLN 16 -3.729 15.621 7.910 120 HB2 GLN 16 1HB GLN 16 -4.050 16.786 9.936 121 HB3 GLN 16 2HB GLN 16 -3.509 18.003 8.788 122 HG2 GLN 16 1HG GLN 16 -6.379 17.517 9.550 123 HG3 GLN 16 2HG GLN 16 -5.346 18.769 10.238 124 HE21 GLN 16 2HE2 GLN 16 -7.829 18.581 8.385 125 HE22 GLN 16 1HE2 GLN 16 -7.473 19.740 7.155 126 H GLU 17 H GLU 17 -4.910 14.007 8.792 127 HA GLU 17 HA GLU 17 -7.702 13.844 8.024 128 HB2 GLU 17 1HB GLU 17 -7.564 11.523 8.790 129 HB3 GLU 17 2HB GLU 17 -6.253 11.903 7.683 130 HG2 GLU 17 1HG GLU 17 -5.034 10.840 9.246 131 HG3 GLU 17 2HG GLU 17 -5.020 12.439 9.986 132 H LYS 18 H LYS 18 -9.351 14.312 9.311 133 HA LYS 18 HA LYS 18 -8.832 14.798 12.149 134 HB2 LYS 18 1HB LYS 18 -9.936 16.563 10.786 135 HB3 LYS 18 2HB LYS 18 -11.283 15.467 10.510 136 HG2 LYS 18 1HG LYS 18 -10.543 15.934 13.326 137 HG3 LYS 18 2HG LYS 18 -11.241 17.303 12.457 138 HD2 LYS 18 1HD LYS 18 -13.275 16.307 12.250 139 HD3 LYS 18 2HD LYS 18 -12.590 14.684 12.140 140 HE2 LYS 18 1HE LYS 18 -12.474 14.435 14.426 141 HE3 LYS 18 2HE LYS 18 -12.399 16.172 14.718 142 HZ1 LYS 18 3HZ LYS 18 -14.810 16.029 13.693 143 HZ2 LYS 18 1HZ LYS 18 -14.527 15.779 15.342 144 HZ3 LYS 18 2HZ LYS 18 -14.725 14.455 14.308 145 H SER 19 H SER 19 -10.438 12.604 10.031 146 HA SER 19 HA SER 19 -11.697 11.288 12.349 147 HB2 SER 19 1HB SER 19 -12.723 10.487 9.729 148 HB3 SER 19 2HB SER 19 -13.598 10.983 11.177 149 HG SER 19 HG SER 19 -12.940 13.183 10.571 150 HA PRO 20 HA PRO 20 -9.348 7.654 11.635 151 HB2 PRO 20 1HB PRO 20 -11.154 5.683 12.104 152 HB3 PRO 20 2HB PRO 20 -10.478 6.691 13.388 153 HG2 PRO 20 1HG PRO 20 -13.113 6.923 11.988 154 HG3 PRO 20 2HG PRO 20 -12.746 7.086 13.715 155 HD2 PRO 20 1HD PRO 20 -13.105 9.225 12.094 156 HD3 PRO 20 2HD PRO 20 -11.996 9.253 13.479 157 H ARG 21 H ARG 21 -11.958 8.437 9.622 158 HA ARG 21 HA ARG 21 -11.617 6.135 7.869 159 HB2 ARG 21 1HB ARG 21 -13.594 8.329 8.140 160 HB3 ARG 21 2HB ARG 21 -13.329 7.709 6.516 161 HG2 ARG 21 1HG ARG 21 -14.066 6.021 8.897 162 HG3 ARG 21 2HG ARG 21 -15.204 6.619 7.688 163 HD2 ARG 21 1HD ARG 21 -13.583 5.468 6.002 164 HD3 ARG 21 2HD ARG 21 -13.050 4.564 7.419 165 HE ARG 21 HE ARG 21 -15.509 4.241 5.994 166 HH11 ARG 21 1HH1 ARG 21 -13.983 3.926 9.107 167 HH12 ARG 21 2HH1 ARG 21 -15.084 2.712 9.670 168 HH21 ARG 21 1HH2 ARG 21 -16.965 2.643 6.723 169 HH22 ARG 21 2HH2 ARG 21 -16.779 1.982 8.312 170 H GLU 22 H GLU 22 -10.753 9.504 8.075 171 HA GLU 22 HA GLU 22 -9.789 9.566 5.329 172 HB2 GLU 22 1HB GLU 22 -9.667 11.685 7.482 173 HB3 GLU 22 2HB GLU 22 -9.246 11.913 5.790 174 HG2 GLU 22 1HG GLU 22 -11.597 11.309 5.207 175 HG3 GLU 22 2HG GLU 22 -11.965 11.325 6.931 176 H VAL 23 H VAL 23 -7.589 10.173 4.822 177 HA VAL 23 HA VAL 23 -5.667 9.244 6.858 178 HB VAL 23 HB VAL 23 -4.208 8.662 4.844 179 HG11 VAL 23 1HG1 VAL 23 -5.212 6.954 6.219 180 HG12 VAL 23 2HG1 VAL 23 -6.748 7.122 5.366 181 HG13 VAL 23 3HG1 VAL 23 -5.335 6.484 4.524 182 HG21 VAL 23 3HG2 VAL 23 -5.769 9.972 3.286 183 HG22 VAL 23 1HG2 VAL 23 -5.164 8.413 2.726 184 HG23 VAL 23 2HG2 VAL 23 -6.808 8.548 3.350 185 H THR 24 H THR 24 -3.478 10.143 6.652 186 HA THR 24 HA THR 24 -3.616 12.989 5.981 187 HB THR 24 HB THR 24 -1.565 11.467 7.600 188 HG1 THR 24 HG1 THR 24 -2.563 12.573 9.345 189 HG21 THR 24 3HG2 THR 24 -1.409 14.022 6.346 190 HG22 THR 24 1HG2 THR 24 -0.233 13.241 7.403 191 HG23 THR 24 2HG2 THR 24 -1.499 14.259 8.091 192 H MET 25 H MET 25 -2.632 13.796 4.248 193 HA MET 25 HA MET 25 -0.475 12.224 3.001 194 HB2 MET 25 1HB MET 25 -1.287 13.069 0.802 195 HB3 MET 25 2HB MET 25 -2.427 12.001 1.610 196 HG2 MET 25 1HG MET 25 -3.929 13.574 1.128 197 HG3 MET 25 2HG MET 25 -3.241 14.430 2.507 198 HE1 MET 25 3HE MET 25 -4.416 16.299 -0.733 199 HE2 MET 25 1HE MET 25 -4.859 15.779 0.893 200 HE3 MET 25 2HE MET 25 -3.976 17.288 0.660 201 H LYS 26 H LYS 26 1.379 13.280 2.715 202 HA LYS 26 HA LYS 26 1.390 16.190 3.118 203 HB2 LYS 26 1HB LYS 26 3.800 14.382 3.182 204 HB3 LYS 26 2HB LYS 26 3.639 16.002 3.847 205 HG2 LYS 26 1HG LYS 26 1.800 14.893 5.334 206 HG3 LYS 26 2HG LYS 26 2.656 13.405 4.923 207 HD2 LYS 26 1HD LYS 26 3.688 14.085 6.895 208 HD3 LYS 26 2HD LYS 26 4.775 14.691 5.643 209 HE2 LYS 26 1HE LYS 26 4.588 16.546 6.981 210 HE3 LYS 26 2HE LYS 26 3.285 16.841 5.831 211 HZ1 LYS 26 3HZ LYS 26 2.203 15.320 7.875 212 HZ2 LYS 26 1HZ LYS 26 1.914 16.955 7.547 213 HZ3 LYS 26 2HZ LYS 26 3.134 16.513 8.632 214 H LYS 27 H LYS 27 2.426 17.565 1.690 215 HA LYS 27 HA LYS 27 2.276 17.042 -1.013 216 HB2 LYS 27 1HB LYS 27 3.921 18.994 -1.231 217 HB3 LYS 27 2HB LYS 27 2.409 19.303 -0.387 218 HG2 LYS 27 1HG LYS 27 4.569 18.427 1.369 219 HG3 LYS 27 2HG LYS 27 4.899 19.943 0.528 220 HD2 LYS 27 1HD LYS 27 2.272 19.492 1.898 221 HD3 LYS 27 2HD LYS 27 3.688 20.012 2.814 222 HE2 LYS 27 1HE LYS 27 2.549 21.432 0.409 223 HE3 LYS 27 2HE LYS 27 2.279 21.900 2.087 224 HZ1 LYS 27 3HZ LYS 27 4.948 21.793 1.989 225 HZ2 LYS 27 1HZ LYS 27 4.051 23.202 1.723 226 HZ3 LYS 27 2HZ LYS 27 4.605 22.292 0.409 227 H GLY 28 H GLY 28 3.345 15.638 -2.232 228 HA2 GLY 28 1HA GLY 28 5.527 15.152 -3.256 229 HA3 GLY 28 2HA GLY 28 6.202 15.173 -1.634 230 H ASP 29 H ASP 29 3.591 13.728 -0.820 231 HA ASP 29 HA ASP 29 4.696 11.070 -1.152 232 HB2 ASP 29 1HB ASP 29 3.459 12.240 0.939 233 HB3 ASP 29 2HB ASP 29 2.082 11.429 0.198 234 H ILE 30 H ILE 30 3.348 9.248 -1.812 235 HA ILE 30 HA ILE 30 1.294 10.013 -3.781 236 HB ILE 30 HB ILE 30 3.205 7.704 -4.117 237 HG12 ILE 30 1HG1 ILE 30 3.298 10.432 -5.424 238 HG13 ILE 30 2HG1 ILE 30 4.411 9.861 -4.186 239 HG21 ILE 30 1HG2 ILE 30 2.331 7.513 -6.312 240 HG22 ILE 30 2HG2 ILE 30 0.946 7.636 -5.229 241 HG23 ILE 30 3HG2 ILE 30 1.456 9.037 -6.170 242 HD11 ILE 30 3HD1 ILE 30 4.220 9.130 -7.054 243 HD12 ILE 30 1HD1 ILE 30 5.638 9.464 -6.060 244 HD13 ILE 30 2HD1 ILE 30 4.800 7.918 -5.913 245 H LEU 31 H LEU 31 -0.545 8.812 -3.833 246 HA LEU 31 HA LEU 31 -0.702 6.516 -1.994 247 HB2 LEU 31 1HB LEU 31 -3.015 8.341 -2.552 248 HB3 LEU 31 2HB LEU 31 -2.821 7.178 -1.243 249 HG LEU 31 HG LEU 31 -1.495 9.868 -1.525 250 HD11 LEU 31 1HD1 LEU 31 -3.457 10.378 -0.528 251 HD12 LEU 31 2HD1 LEU 31 -2.599 9.829 0.911 252 HD13 LEU 31 3HD1 LEU 31 -3.706 8.740 0.076 253 HD21 LEU 31 3HD2 LEU 31 -0.582 7.490 -0.149 254 HD22 LEU 31 1HD2 LEU 31 -0.862 8.829 0.966 255 HD23 LEU 31 2HD2 LEU 31 0.235 9.034 -0.400 256 H THR 32 H THR 32 -2.848 5.260 -2.475 257 HA THR 32 HA THR 32 -2.880 4.758 -5.372 258 HB THR 32 HB THR 32 -3.712 2.908 -3.129 259 HG1 THR 32 HG1 THR 32 -1.752 1.951 -3.408 260 HG21 THR 32 3HG2 THR 32 -4.416 2.859 -5.828 261 HG22 THR 32 1HG2 THR 32 -4.559 1.535 -4.672 262 HG23 THR 32 2HG2 THR 32 -3.115 1.679 -5.675 263 H LEU 33 H LEU 33 -4.508 5.902 -6.247 264 HA LEU 33 HA LEU 33 -6.840 6.759 -5.050 265 HB2 LEU 33 1HB LEU 33 -5.759 7.119 -7.459 266 HB3 LEU 33 2HB LEU 33 -6.995 5.942 -7.896 267 HG LEU 33 HG LEU 33 -7.808 8.175 -8.307 268 HD11 LEU 33 1HD1 LEU 33 -9.059 6.789 -5.949 269 HD12 LEU 33 2HD1 LEU 33 -9.508 6.666 -7.650 270 HD13 LEU 33 3HD1 LEU 33 -9.802 8.164 -6.767 271 HD21 LEU 33 3HD2 LEU 33 -7.248 9.895 -7.025 272 HD22 LEU 33 1HD2 LEU 33 -6.394 8.797 -5.942 273 HD23 LEU 33 2HD2 LEU 33 -8.092 9.176 -5.653 274 H LEU 34 H LEU 34 -8.174 5.473 -3.937 275 HA LEU 34 HA LEU 34 -8.788 2.796 -4.870 276 HB2 LEU 34 1HB LEU 34 -8.561 3.912 -2.388 277 HB3 LEU 34 2HB LEU 34 -10.309 3.850 -2.600 278 HG LEU 34 HG LEU 34 -9.615 1.887 -1.427 279 HD11 LEU 34 1HD1 LEU 34 -9.921 0.511 -3.959 280 HD12 LEU 34 2HD1 LEU 34 -11.055 1.851 -3.785 281 HD13 LEU 34 3HD1 LEU 34 -11.003 0.576 -2.568 282 HD21 LEU 34 3HD2 LEU 34 -7.403 1.966 -3.328 283 HD22 LEU 34 1HD2 LEU 34 -8.086 0.355 -3.108 284 HD23 LEU 34 2HD2 LEU 34 -7.490 1.257 -1.715 285 H ASN 35 H ASN 35 -10.496 5.851 -4.308 286 HA ASN 35 HA ASN 35 -12.516 5.018 -6.246 287 HB2 ASN 35 1HB ASN 35 -13.046 4.841 -3.545 288 HB3 ASN 35 2HB ASN 35 -13.697 6.423 -3.964 289 HD21 ASN 35 2HD2 ASN 35 -14.522 5.936 -6.560 290 HD22 ASN 35 1HD2 ASN 35 -15.835 4.812 -6.530 291 H SER 36 H SER 36 -12.694 6.564 -7.715 292 HA SER 36 HA SER 36 -12.201 9.351 -6.891 293 HB2 SER 36 1HB SER 36 -11.762 9.453 -9.552 294 HB3 SER 36 2HB SER 36 -10.488 9.120 -8.378 295 HG SER 36 HG SER 36 -10.740 7.618 -10.232 296 H THR 37 H THR 37 -14.726 7.762 -6.993 297 HA THR 37 HA THR 37 -16.319 8.459 -9.175 298 HB THR 37 HB THR 37 -17.014 6.807 -7.492 299 HG1 THR 37 HG1 THR 37 -18.933 7.272 -8.230 300 HG21 THR 37 3HG2 THR 37 -17.937 8.939 -5.640 301 HG22 THR 37 1HG2 THR 37 -16.229 8.504 -5.599 302 HG23 THR 37 2HG2 THR 37 -17.459 7.275 -5.301 303 H ASN 38 H ASN 38 -15.458 10.270 -6.294 304 HA ASN 38 HA ASN 38 -17.229 12.463 -7.068 305 HB2 ASN 38 1HB ASN 38 -15.999 11.554 -4.574 306 HB3 ASN 38 2HB ASN 38 -15.868 13.294 -4.813 307 HD21 ASN 38 2HD2 ASN 38 -17.691 14.552 -4.768 308 HD22 ASN 38 1HD2 ASN 38 -19.232 13.958 -4.261 309 H LYS 39 H LYS 39 -16.343 14.689 -6.997 310 HA LYS 39 HA LYS 39 -13.718 14.752 -8.308 311 HB2 LYS 39 1HB LYS 39 -14.434 17.018 -9.085 312 HB3 LYS 39 2HB LYS 39 -15.453 15.706 -9.662 313 HG2 LYS 39 1HG LYS 39 -17.112 16.229 -7.956 314 HG3 LYS 39 2HG LYS 39 -16.087 17.533 -7.352 315 HD2 LYS 39 1HD LYS 39 -16.538 18.895 -9.130 316 HD3 LYS 39 2HD LYS 39 -16.789 17.545 -10.240 317 HE2 LYS 39 1HE LYS 39 -18.932 18.369 -9.986 318 HE3 LYS 39 2HE LYS 39 -18.889 17.079 -8.784 319 HZ1 LYS 39 3HZ LYS 39 -18.139 19.801 -7.977 320 HZ2 LYS 39 1HZ LYS 39 -18.835 18.560 -7.060 321 HZ3 LYS 39 2HZ LYS 39 -19.779 19.428 -8.163 322 H ASP 40 H ASP 40 -15.529 16.019 -5.599 323 HA ASP 40 HA ASP 40 -13.412 17.839 -4.821 324 HB2 ASP 40 1HB ASP 40 -15.940 17.065 -3.348 325 HB3 ASP 40 2HB ASP 40 -14.865 18.398 -2.934 326 H TRP 41 H TRP 41 -14.973 14.971 -3.389 327 HA TRP 41 HA TRP 41 -12.646 14.639 -1.638 328 HB2 TRP 41 1HB TRP 41 -15.434 13.487 -1.572 329 HB3 TRP 41 2HB TRP 41 -14.140 12.888 -0.538 330 HD1 TRP 41 HD1 TRP 41 -16.773 15.500 -0.688 331 HE1 TRP 41 HE1 TRP 41 -16.524 17.133 1.286 332 HE3 TRP 41 HE3 TRP 41 -12.132 14.105 0.939 333 HZ2 TRP 41 HZ2 TRP 41 -14.613 17.748 3.270 334 HZ3 TRP 41 HZ3 TRP 41 -11.165 15.266 2.881 335 HH2 TRP 41 HH2 TRP 41 -12.381 17.050 4.021 336 H TRP 42 H TRP 42 -11.076 13.415 -2.441 337 HA TRP 42 HA TRP 42 -11.773 11.178 -4.211 338 HB2 TRP 42 1HB TRP 42 -9.411 12.958 -3.944 339 HB3 TRP 42 2HB TRP 42 -9.096 11.288 -4.407 340 HD1 TRP 42 HD1 TRP 42 -12.349 12.601 -5.720 341 HE1 TRP 42 HE1 TRP 42 -12.138 13.092 -8.237 342 HE3 TRP 42 HE3 TRP 42 -7.277 12.181 -6.205 343 HZ2 TRP 42 HZ2 TRP 42 -10.092 13.277 -10.173 344 HZ3 TRP 42 HZ3 TRP 42 -6.272 12.529 -8.424 345 HH2 TRP 42 HH2 TRP 42 -7.652 13.066 -10.366 346 H LYS 43 H LYS 43 -11.328 9.104 -3.692 347 HA LYS 43 HA LYS 43 -10.369 8.600 -0.974 348 HB2 LYS 43 1HB LYS 43 -11.575 6.599 -2.883 349 HB3 LYS 43 2HB LYS 43 -11.402 6.453 -1.139 350 HG2 LYS 43 1HG LYS 43 -12.946 8.509 -1.030 351 HG3 LYS 43 2HG LYS 43 -13.333 8.114 -2.706 352 HD2 LYS 43 1HD LYS 43 -13.627 5.689 -1.611 353 HD3 LYS 43 2HD LYS 43 -14.014 6.683 -0.205 354 HE2 LYS 43 1HE LYS 43 -15.355 6.692 -2.901 355 HE3 LYS 43 2HE LYS 43 -16.054 6.231 -1.350 356 HZ1 LYS 43 3HZ LYS 43 -15.160 8.792 -0.981 357 HZ2 LYS 43 1HZ LYS 43 -16.767 8.314 -1.214 358 HZ3 LYS 43 2HZ LYS 43 -15.833 8.815 -2.533 359 H VAL 44 H VAL 44 -8.397 7.842 -0.590 360 HA VAL 44 HA VAL 44 -7.001 6.354 -2.705 361 HB VAL 44 HB VAL 44 -4.876 7.564 -1.798 362 HG11 VAL 44 1HG1 VAL 44 -6.893 8.595 -3.749 363 HG12 VAL 44 2HG1 VAL 44 -5.413 9.505 -3.442 364 HG13 VAL 44 3HG1 VAL 44 -5.323 7.851 -4.048 365 HG21 VAL 44 3HG2 VAL 44 -7.030 9.569 -1.128 366 HG22 VAL 44 1HG2 VAL 44 -5.970 8.750 0.020 367 HG23 VAL 44 2HG2 VAL 44 -5.297 9.894 -1.141 368 H GLU 45 H GLU 45 -5.259 5.005 -1.934 369 HA GLU 45 HA GLU 45 -5.718 4.118 0.830 370 HB2 GLU 45 1HB GLU 45 -5.843 2.634 -1.410 371 HB3 GLU 45 2HB GLU 45 -4.135 2.445 -1.038 372 HG2 GLU 45 1HG GLU 45 -4.773 1.689 1.239 373 HG3 GLU 45 2HG GLU 45 -6.461 1.745 0.735 374 H VAL 46 H VAL 46 -4.099 4.043 2.299 375 HA VAL 46 HA VAL 46 -1.418 4.878 1.399 376 HB VAL 46 HB VAL 46 -1.108 6.113 3.454 377 HG11 VAL 46 1HG1 VAL 46 -3.774 6.921 2.313 378 HG12 VAL 46 2HG1 VAL 46 -2.539 7.960 3.027 379 HG13 VAL 46 3HG1 VAL 46 -2.244 7.175 1.476 380 HG21 VAL 46 3HG2 VAL 46 -3.099 6.452 4.973 381 HG22 VAL 46 1HG2 VAL 46 -3.853 5.090 4.145 382 HG23 VAL 46 2HG2 VAL 46 -2.349 4.857 5.036 383 H LYS 47 H LYS 47 0.163 4.491 3.407 384 HA LYS 47 HA LYS 47 -0.291 1.720 4.307 385 HB2 LYS 47 1HB LYS 47 1.513 2.127 2.528 386 HB3 LYS 47 2HB LYS 47 2.426 2.920 3.805 387 HG2 LYS 47 1HG LYS 47 3.225 0.708 3.693 388 HG3 LYS 47 2HG LYS 47 2.203 0.788 5.130 389 HD2 LYS 47 1HD LYS 47 1.387 -1.135 4.222 390 HD3 LYS 47 2HD LYS 47 0.353 0.022 3.380 391 HE2 LYS 47 1HE LYS 47 2.971 -0.919 2.243 392 HE3 LYS 47 2HE LYS 47 1.463 -1.792 1.974 393 HZ1 LYS 47 3HZ LYS 47 0.726 0.672 1.311 394 HZ2 LYS 47 1HZ LYS 47 1.354 -0.438 0.198 395 HZ3 LYS 47 2HZ LYS 47 2.359 0.742 0.874 396 H ILE 48 H ILE 48 -0.511 1.564 6.430 397 HA ILE 48 HA ILE 48 0.722 3.616 8.138 398 HB ILE 48 HB ILE 48 -1.559 1.739 8.768 399 HG12 ILE 48 1HG1 ILE 48 -1.685 4.737 8.477 400 HG13 ILE 48 2HG1 ILE 48 -1.947 3.658 7.111 401 HG21 ILE 48 1HG2 ILE 48 -1.769 3.442 10.722 402 HG22 ILE 48 2HG2 ILE 48 -0.595 2.131 10.828 403 HG23 ILE 48 3HG2 ILE 48 -0.066 3.755 10.390 404 HD11 ILE 48 3HD1 ILE 48 -3.529 3.451 9.650 405 HD12 ILE 48 1HD1 ILE 48 -4.001 4.499 8.313 406 HD13 ILE 48 2HD1 ILE 48 -3.891 2.755 8.071 407 H THR 49 H THR 49 1.966 3.053 9.899 408 HA THR 49 HA THR 49 2.800 0.228 10.013 409 HB THR 49 HB THR 49 4.439 2.683 10.673 410 HG1 THR 49 HG1 THR 49 4.249 2.411 8.442 411 HG21 THR 49 3HG2 THR 49 4.833 -0.206 11.149 412 HG22 THR 49 1HG2 THR 49 5.481 1.184 12.018 413 HG23 THR 49 2HG2 THR 49 6.219 0.670 10.500 414 H VAL 50 H VAL 50 1.817 -0.682 11.709 415 HA VAL 50 HA VAL 50 1.922 0.744 14.287 416 HB VAL 50 HB VAL 50 -0.266 -1.113 13.341 417 HG11 VAL 50 1HG1 VAL 50 0.350 0.149 15.974 418 HG12 VAL 50 2HG1 VAL 50 -1.332 -0.110 15.506 419 HG13 VAL 50 3HG1 VAL 50 -0.224 -1.478 15.614 420 HG21 VAL 50 3HG2 VAL 50 0.067 1.810 13.293 421 HG22 VAL 50 1HG2 VAL 50 -0.952 0.764 12.303 422 HG23 VAL 50 2HG2 VAL 50 -1.479 1.238 13.918 423 H ASN 51 H ASN 51 3.096 -0.259 15.772 424 HA ASN 51 HA ASN 51 4.277 -1.854 16.885 425 HB2 ASN 51 1HB ASN 51 1.786 -2.693 16.989 426 HB3 ASN 51 2HB ASN 51 2.382 -3.965 15.926 427 HD21 ASN 51 2HD2 ASN 51 3.340 -2.292 18.907 428 HD22 ASN 51 1HD2 ASN 51 3.849 -3.716 19.742 429 H GLY 52 H GLY 52 4.912 -1.323 14.079 430 HA2 GLY 52 1HA GLY 52 6.611 -2.099 12.704 431 HA3 GLY 52 2HA GLY 52 6.680 -3.565 13.670 432 H LYS 53 H LYS 53 3.516 -3.104 12.882 433 HA LYS 53 HA LYS 53 3.727 -4.997 10.649 434 HB2 LYS 53 1HB LYS 53 1.666 -4.459 12.738 435 HB3 LYS 53 2HB LYS 53 1.132 -5.096 11.189 436 HG2 LYS 53 1HG LYS 53 1.442 -6.955 12.599 437 HG3 LYS 53 2HG LYS 53 2.820 -6.942 11.496 438 HD2 LYS 53 1HD LYS 53 4.186 -5.869 13.225 439 HD3 LYS 53 2HD LYS 53 2.807 -5.889 14.326 440 HE2 LYS 53 1HE LYS 53 3.789 -8.424 13.072 441 HE3 LYS 53 2HE LYS 53 4.600 -7.758 14.489 442 HZ1 LYS 53 3HZ LYS 53 1.789 -7.792 14.864 443 HZ2 LYS 53 1HZ LYS 53 2.999 -8.529 15.790 444 HZ3 LYS 53 2HZ LYS 53 2.343 -9.338 14.458 445 H THR 54 H THR 54 3.212 -4.411 8.643 446 HA THR 54 HA THR 54 2.360 -1.704 8.124 447 HB THR 54 HB THR 54 2.345 -2.867 5.671 448 HG1 THR 54 HG1 THR 54 3.274 -4.755 5.785 449 HG21 THR 54 3HG2 THR 54 4.696 -2.082 5.476 450 HG22 THR 54 1HG2 THR 54 4.730 -1.858 7.224 451 HG23 THR 54 2HG2 THR 54 3.628 -0.901 6.234 452 H TYR 55 H TYR 55 0.351 -1.037 7.733 453 HA TYR 55 HA TYR 55 -1.692 -3.064 7.096 454 HB2 TYR 55 1HB TYR 55 -1.899 -0.630 8.871 455 HB3 TYR 55 2HB TYR 55 -3.302 -1.524 8.295 456 HD1 TYR 55 HD1 TYR 55 -3.670 -3.858 9.042 457 HD2 TYR 55 HD2 TYR 55 -0.542 -1.464 10.650 458 HE1 TYR 55 HE1 TYR 55 -3.458 -5.417 10.933 459 HE2 TYR 55 HE2 TYR 55 -0.320 -3.016 12.545 460 HH TYR 55 HH TYR 55 -0.825 -5.350 13.083 461 H GLU 56 H GLU 56 -3.395 -2.429 5.713 462 HA GLU 56 HA GLU 56 -2.847 0.004 4.143 463 HB2 GLU 56 1HB GLU 56 -3.726 -2.722 3.193 464 HB3 GLU 56 2HB GLU 56 -3.835 -1.279 2.194 465 HG2 GLU 56 1HG GLU 56 -1.295 -1.051 2.795 466 HG3 GLU 56 2HG GLU 56 -1.435 -2.781 3.102 467 H ARG 57 H ARG 57 -4.566 1.266 3.555 468 HA ARG 57 HA ARG 57 -7.280 0.421 3.799 469 HB2 ARG 57 1HB ARG 57 -7.929 1.937 5.624 470 HB3 ARG 57 2HB ARG 57 -6.810 0.697 6.173 471 HG2 ARG 57 1HG ARG 57 -5.102 2.188 6.508 472 HG3 ARG 57 2HG ARG 57 -5.729 3.336 5.323 473 HD2 ARG 57 1HD ARG 57 -6.093 4.331 7.427 474 HD3 ARG 57 2HD ARG 57 -7.662 3.710 6.916 475 HE ARG 57 HE ARG 57 -6.450 1.731 8.443 476 HH11 ARG 57 1HH1 ARG 57 -7.631 4.979 8.859 477 HH12 ARG 57 2HH1 ARG 57 -8.030 4.760 10.530 478 HH21 ARG 57 1HH2 ARG 57 -6.972 1.429 10.643 479 HH22 ARG 57 2HH2 ARG 57 -7.654 2.740 11.545 480 H GLN 58 H GLN 58 -8.774 2.006 3.061 481 HA GLN 58 HA GLN 58 -7.481 4.185 1.567 482 HB2 GLN 58 1HB GLN 58 -9.551 4.122 0.151 483 HB3 GLN 58 2HB GLN 58 -8.573 2.662 0.082 484 HG2 GLN 58 1HG GLN 58 -10.120 1.402 1.209 485 HG3 GLN 58 2HG GLN 58 -10.824 2.799 2.023 486 HE21 GLN 58 2HE2 GLN 58 -11.456 4.475 0.045 487 HE22 GLN 58 1HE2 GLN 58 -12.604 3.763 -1.032 488 H GLY 59 H GLY 59 -8.070 6.262 1.884 489 HA2 GLY 59 1HA GLY 59 -10.397 6.772 3.626 490 HA3 GLY 59 2HA GLY 59 -8.850 7.546 3.938 491 H PHE 60 H PHE 60 -11.006 9.133 3.634 492 HA PHE 60 HA PHE 60 -11.126 10.033 0.870 493 HB2 PHE 60 1HB PHE 60 -12.492 11.321 3.228 494 HB3 PHE 60 2HB PHE 60 -12.945 11.405 1.528 495 HD1 PHE 60 HD2 PHE 60 -12.921 9.289 4.530 496 HD2 PHE 60 HD1 PHE 60 -14.241 9.686 0.503 497 HE1 PHE 60 HE2 PHE 60 -14.459 7.396 4.851 498 HE2 PHE 60 HE1 PHE 60 -15.782 7.794 0.818 499 HZ PHE 60 HZ PHE 60 -15.892 6.646 2.994 500 H VAL 61 H VAL 61 -10.402 12.007 0.132 501 HA VAL 61 HA VAL 61 -9.136 13.877 1.946 502 HB VAL 61 HB VAL 61 -7.011 13.860 0.531 503 HG11 VAL 61 1HG1 VAL 61 -7.518 11.430 2.243 504 HG12 VAL 61 2HG1 VAL 61 -5.963 12.199 1.921 505 HG13 VAL 61 3HG1 VAL 61 -7.187 13.044 2.870 506 HG21 VAL 61 3HG2 VAL 61 -7.923 12.442 -1.274 507 HG22 VAL 61 1HG2 VAL 61 -6.436 11.792 -0.584 508 HG23 VAL 61 2HG2 VAL 61 -7.993 11.088 -0.146 509 HA PRO 62 HA PRO 62 -10.403 16.812 -1.063 510 HB2 PRO 62 1HB PRO 62 -8.515 18.740 -0.766 511 HB3 PRO 62 2HB PRO 62 -9.781 18.442 0.431 512 HG2 PRO 62 1HG PRO 62 -6.926 17.540 0.429 513 HG3 PRO 62 2HG PRO 62 -7.893 18.189 1.766 514 HD2 PRO 62 1HD PRO 62 -7.430 15.539 1.456 515 HD3 PRO 62 2HD PRO 62 -8.932 16.170 2.161 516 H ALA 63 H ALA 63 -10.229 16.241 -3.153 517 HA ALA 63 HA ALA 63 -7.883 15.414 -4.448 518 HB1 ALA 63 1HB ALA 63 -10.251 14.987 -5.184 519 HB2 ALA 63 2HB ALA 63 -10.272 16.635 -5.811 520 HB3 ALA 63 3HB ALA 63 -9.133 15.458 -6.464 521 H ALA 64 H ALA 64 -9.258 18.580 -3.934 522 HA ALA 64 HA ALA 64 -7.807 19.990 -5.900 523 HB1 ALA 64 1HB ALA 64 -9.790 20.889 -4.747 524 HB2 ALA 64 2HB ALA 64 -8.844 21.026 -3.265 525 HB3 ALA 64 3HB ALA 64 -8.413 21.988 -4.679 526 H TYR 65 H TYR 65 -6.800 18.496 -3.033 527 HA TYR 65 HA TYR 65 -4.444 20.220 -2.771 528 HB2 TYR 65 1HB TYR 65 -5.688 18.146 -0.978 529 HB3 TYR 65 2HB TYR 65 -4.051 18.733 -0.706 530 HD1 TYR 65 HD1 TYR 65 -7.382 20.259 -1.488 531 HD2 TYR 65 HD2 TYR 65 -3.883 20.335 0.933 532 HE1 TYR 65 HE1 TYR 65 -8.286 22.184 -0.253 533 HE2 TYR 65 HE2 TYR 65 -4.778 22.260 2.175 534 HH TYR 65 HH TYR 65 -8.016 23.264 1.927 535 H VAL 66 H VAL 66 -5.396 17.426 -4.315 536 HA VAL 66 HA VAL 66 -2.601 16.534 -4.553 537 HB VAL 66 HB VAL 66 -3.371 14.203 -4.737 538 HG11 VAL 66 1HG1 VAL 66 -3.136 13.901 -2.529 539 HG12 VAL 66 2HG1 VAL 66 -2.982 15.658 -2.459 540 HG13 VAL 66 3HG1 VAL 66 -4.541 14.895 -2.146 541 HG21 VAL 66 3HG2 VAL 66 -5.589 13.531 -4.342 542 HG22 VAL 66 1HG2 VAL 66 -6.048 15.118 -3.725 543 HG23 VAL 66 2HG2 VAL 66 -5.720 14.901 -5.444 544 H LYS 67 H LYS 67 -2.621 14.782 -6.483 545 HA LYS 67 HA LYS 67 -4.291 15.706 -8.687 546 HB2 LYS 67 1HB LYS 67 -1.294 15.944 -8.590 547 HB3 LYS 67 2HB LYS 67 -2.148 15.805 -10.121 548 HG2 LYS 67 1HG LYS 67 -2.893 17.903 -8.119 549 HG3 LYS 67 2HG LYS 67 -1.562 18.144 -9.253 550 HD2 LYS 67 1HD LYS 67 -3.191 18.974 -10.577 551 HD3 LYS 67 2HD LYS 67 -3.484 17.271 -10.937 552 HE2 LYS 67 1HE LYS 67 -5.344 17.168 -9.563 553 HE3 LYS 67 2HE LYS 67 -4.838 18.557 -8.603 554 HZ1 LYS 67 3HZ LYS 67 -6.205 19.759 -9.845 555 HZ2 LYS 67 1HZ LYS 67 -6.484 18.480 -10.917 556 HZ3 LYS 67 2HZ LYS 67 -5.168 19.514 -11.158 557 H LYS 68 H LYS 68 -4.209 14.294 -10.555 558 HA LYS 68 HA LYS 68 -3.895 11.531 -9.766 559 HB2 LYS 68 1HB LYS 68 -5.857 12.318 -11.075 560 HB3 LYS 68 2HB LYS 68 -4.781 12.683 -12.418 561 HG2 LYS 68 1HG LYS 68 -4.142 10.288 -12.490 562 HG3 LYS 68 2HG LYS 68 -5.351 9.971 -11.242 563 HD2 LYS 68 1HD LYS 68 -6.918 11.250 -12.950 564 HD3 LYS 68 2HD LYS 68 -5.710 10.687 -14.108 565 HE2 LYS 68 1HE LYS 68 -6.076 8.401 -12.836 566 HE3 LYS 68 2HE LYS 68 -7.631 9.134 -12.446 567 HZ1 LYS 68 3HZ LYS 68 -7.004 7.806 -14.748 568 HZ2 LYS 68 1HZ LYS 68 -6.963 9.434 -15.206 569 HZ3 LYS 68 2HZ LYS 68 -8.359 8.789 -14.502 570 H LEU 69 H LEU 69 -2.287 10.191 -10.320 571 HA LEU 69 HA LEU 69 -0.141 11.269 -12.004 572 HB2 LEU 69 1HB LEU 69 0.098 10.289 -9.566 573 HB3 LEU 69 2HB LEU 69 0.156 8.757 -10.436 574 HG LEU 69 HG LEU 69 2.078 9.696 -11.757 575 HD11 LEU 69 1HD1 LEU 69 1.317 12.087 -10.654 576 HD12 LEU 69 2HD1 LEU 69 2.859 11.763 -11.445 577 HD13 LEU 69 3HD1 LEU 69 2.727 11.646 -9.691 578 HD21 LEU 69 3HD2 LEU 69 2.202 8.196 -9.687 579 HD22 LEU 69 1HD2 LEU 69 2.679 9.655 -8.818 580 HD23 LEU 69 2HD2 LEU 69 3.663 9.067 -10.158 581 H ASP 70 H ASP 70 -2.503 8.743 -11.807 582 HA ASP 70 HA ASP 70 -1.587 7.738 -14.415 583 HB2 ASP 70 1HB ASP 70 -2.175 6.204 -11.927 584 HB3 ASP 70 2HB ASP 70 -2.643 5.489 -13.467 Start of MODEL 19 1 H1 MET 1 H MET 1 0.310 -3.195 -0.731 2 HA MET 1 HA MET 1 -0.420 -3.025 -3.494 3 HB2 MET 1 1HB MET 1 0.644 -0.729 -3.777 4 HB3 MET 1 2HB MET 1 -0.966 -0.768 -3.070 5 HG2 MET 1 1HG MET 1 -0.130 -0.345 -0.904 6 HG3 MET 1 2HG MET 1 1.531 -0.647 -1.409 7 HE1 MET 1 3HE MET 1 2.969 1.893 -2.940 8 HE2 MET 1 1HE MET 1 2.816 2.475 -1.282 9 HE3 MET 1 2HE MET 1 2.989 0.749 -1.597 10 H ASP 2 H ASP 2 1.150 -4.039 -4.540 11 HA ASP 2 HA ASP 2 3.835 -4.094 -3.350 12 HB2 ASP 2 1HB ASP 2 2.414 -6.222 -3.956 13 HB3 ASP 2 2HB ASP 2 3.004 -5.904 -5.585 14 H GLU 3 H GLU 3 3.615 -1.766 -4.443 15 HA GLU 3 HA GLU 3 4.341 -0.317 -6.045 16 HB2 GLU 3 1HB GLU 3 6.185 -2.618 -6.714 17 HB3 GLU 3 2HB GLU 3 6.418 -0.943 -7.195 18 HG2 GLU 3 1HG GLU 3 6.183 -1.678 -4.308 19 HG3 GLU 3 2HG GLU 3 7.711 -1.864 -5.167 20 H THR 4 H THR 4 2.045 -1.229 -6.870 21 HA THR 4 HA THR 4 2.186 -2.576 -9.412 22 HB THR 4 HB THR 4 -0.202 -2.375 -9.503 23 HG1 THR 4 HG1 THR 4 0.097 -0.521 -7.357 24 HG21 THR 4 3HG2 THR 4 0.679 -2.854 -6.654 25 HG22 THR 4 1HG2 THR 4 0.641 -4.053 -7.946 26 HG23 THR 4 2HG2 THR 4 -0.864 -3.355 -7.346 27 H GLY 5 H GLY 5 1.739 0.730 -8.269 28 HA2 GLY 5 1HA GLY 5 1.691 2.739 -9.382 29 HA3 GLY 5 2HA GLY 5 2.819 1.972 -10.490 30 H LYS 6 H LYS 6 -0.646 1.501 -9.802 31 HA LYS 6 HA LYS 6 -1.148 1.526 -12.687 32 HB2 LYS 6 1HB LYS 6 -3.101 0.800 -10.505 33 HB3 LYS 6 2HB LYS 6 -3.214 0.424 -12.219 34 HG2 LYS 6 1HG LYS 6 -1.153 -0.683 -10.323 35 HG3 LYS 6 2HG LYS 6 -2.598 -1.528 -10.880 36 HD2 LYS 6 1HD LYS 6 -0.507 -0.452 -12.759 37 HD3 LYS 6 2HD LYS 6 -0.443 -2.083 -12.088 38 HE2 LYS 6 1HE LYS 6 -2.592 -2.605 -13.084 39 HE3 LYS 6 2HE LYS 6 -2.738 -0.955 -13.688 40 HZ1 LYS 6 3HZ LYS 6 -0.826 -1.317 -15.094 41 HZ2 LYS 6 1HZ LYS 6 -1.991 -2.506 -15.401 42 HZ3 LYS 6 2HZ LYS 6 -0.622 -2.881 -14.482 43 H GLU 7 H GLU 7 -2.799 2.744 -9.763 44 HA GLU 7 HA GLU 7 -3.397 5.216 -11.241 45 HB2 GLU 7 1HB GLU 7 -5.607 5.191 -9.897 46 HB3 GLU 7 2HB GLU 7 -5.478 4.177 -11.327 47 HG2 GLU 7 1HG GLU 7 -4.946 2.255 -9.876 48 HG3 GLU 7 2HG GLU 7 -5.187 3.287 -8.467 49 H LEU 8 H LEU 8 -1.318 5.546 -9.856 50 HA LEU 8 HA LEU 8 -1.882 6.138 -7.067 51 HB2 LEU 8 1HB LEU 8 0.585 6.137 -8.764 52 HB3 LEU 8 2HB LEU 8 0.579 6.924 -7.187 53 HG LEU 8 HG LEU 8 -0.181 4.035 -7.529 54 HD11 LEU 8 1HD1 LEU 8 2.057 3.378 -7.097 55 HD12 LEU 8 2HD1 LEU 8 2.567 5.045 -6.833 56 HD13 LEU 8 3HD1 LEU 8 2.109 4.509 -8.449 57 HD21 LEU 8 3HD2 LEU 8 -0.757 4.440 -5.396 58 HD22 LEU 8 1HD2 LEU 8 0.215 5.909 -5.303 59 HD23 LEU 8 2HD2 LEU 8 0.977 4.332 -5.094 60 H VAL 9 H VAL 9 -1.937 8.158 -6.161 61 HA VAL 9 HA VAL 9 -1.936 10.426 -8.046 62 HB VAL 9 HB VAL 9 -3.507 11.528 -6.407 63 HG11 VAL 9 1HG1 VAL 9 -4.071 10.193 -8.586 64 HG12 VAL 9 2HG1 VAL 9 -4.805 9.054 -7.455 65 HG13 VAL 9 3HG1 VAL 9 -5.361 10.728 -7.509 66 HG21 VAL 9 3HG2 VAL 9 -3.966 8.736 -5.384 67 HG22 VAL 9 1HG2 VAL 9 -2.934 9.902 -4.556 68 HG23 VAL 9 2HG2 VAL 9 -4.649 10.245 -4.780 69 H LEU 10 H LEU 10 -0.782 12.217 -7.534 70 HA LEU 10 HA LEU 10 0.902 12.049 -5.140 71 HB2 LEU 10 1HB LEU 10 2.003 12.256 -7.337 72 HB3 LEU 10 2HB LEU 10 1.189 13.801 -7.577 73 HG LEU 10 HG LEU 10 2.448 14.325 -5.268 74 HD11 LEU 10 1HD1 LEU 10 3.883 12.046 -6.515 75 HD12 LEU 10 2HD1 LEU 10 3.704 12.481 -4.816 76 HD13 LEU 10 3HD1 LEU 10 4.843 13.360 -5.835 77 HD21 LEU 10 3HD2 LEU 10 3.361 14.572 -8.111 78 HD22 LEU 10 1HD2 LEU 10 4.337 15.201 -6.784 79 HD23 LEU 10 2HD2 LEU 10 2.702 15.810 -7.040 80 H ALA 11 H ALA 11 0.883 13.575 -3.570 81 HA ALA 11 HA ALA 11 -1.346 15.419 -3.543 82 HB1 ALA 11 1HB ALA 11 0.695 14.578 -1.514 83 HB2 ALA 11 2HB ALA 11 -0.380 15.947 -1.225 84 HB3 ALA 11 3HB ALA 11 -1.053 14.340 -1.496 85 H LEU 12 H LEU 12 -1.260 17.510 -4.039 86 HA LEU 12 HA LEU 12 1.318 18.700 -4.685 87 HB2 LEU 12 1HB LEU 12 -1.484 19.745 -5.067 88 HB3 LEU 12 2HB LEU 12 -0.014 20.521 -5.653 89 HG LEU 12 HG LEU 12 -0.943 17.794 -6.543 90 HD11 LEU 12 1HD1 LEU 12 -1.217 20.379 -8.057 91 HD12 LEU 12 2HD1 LEU 12 -2.525 19.666 -7.113 92 HD13 LEU 12 3HD1 LEU 12 -1.852 18.791 -8.489 93 HD21 LEU 12 3HD2 LEU 12 0.880 19.551 -8.099 94 HD22 LEU 12 1HD2 LEU 12 0.802 17.791 -8.012 95 HD23 LEU 12 2HD2 LEU 12 1.534 18.707 -6.694 96 H TYR 13 H TYR 13 -1.306 19.040 -2.391 97 HA TYR 13 HA TYR 13 0.230 21.152 -1.025 98 HB2 TYR 13 1HB TYR 13 -2.763 20.715 -1.060 99 HB3 TYR 13 2HB TYR 13 -1.936 21.917 -0.075 100 HD1 TYR 13 HD1 TYR 13 -2.621 20.905 -3.577 101 HD2 TYR 13 HD2 TYR 13 -1.351 24.018 -0.969 102 HE1 TYR 13 HE1 TYR 13 -2.749 22.508 -5.437 103 HE2 TYR 13 HE2 TYR 13 -1.478 25.630 -2.822 104 HH TYR 13 HH TYR 13 -1.395 25.003 -5.813 105 H ASP 14 H ASP 14 -0.499 21.250 1.397 106 HA ASP 14 HA ASP 14 -0.137 18.541 2.457 107 HB2 ASP 14 1HB ASP 14 0.466 19.764 4.582 108 HB3 ASP 14 2HB ASP 14 1.549 20.050 3.222 109 H TYR 15 H TYR 15 -1.538 17.610 3.876 110 HA TYR 15 HA TYR 15 -3.849 19.166 4.785 111 HB2 TYR 15 1HB TYR 15 -4.383 17.903 2.648 112 HB3 TYR 15 2HB TYR 15 -4.159 16.420 3.569 113 HD1 TYR 15 HD1 TYR 15 -6.032 19.648 3.843 114 HD2 TYR 15 HD2 TYR 15 -6.046 15.437 4.453 115 HE1 TYR 15 HE1 TYR 15 -8.370 19.771 4.596 116 HE2 TYR 15 HE2 TYR 15 -8.385 15.549 5.207 117 HH TYR 15 HH TYR 15 -10.142 18.636 5.293 118 H GLN 16 H GLN 16 -5.100 18.018 6.477 119 HA GLN 16 HA GLN 16 -3.436 16.122 7.993 120 HB2 GLN 16 1HB GLN 16 -4.388 17.280 10.069 121 HB3 GLN 16 2HB GLN 16 -3.129 18.126 9.179 122 HG2 GLN 16 1HG GLN 16 -4.805 19.703 9.779 123 HG3 GLN 16 2HG GLN 16 -4.899 19.440 8.038 124 HE21 GLN 16 2HE2 GLN 16 -6.883 19.310 7.305 125 HE22 GLN 16 1HE2 GLN 16 -8.252 18.687 8.155 126 H GLU 17 H GLU 17 -4.560 14.645 9.330 127 HA GLU 17 HA GLU 17 -7.288 14.129 8.407 128 HB2 GLU 17 1HB GLU 17 -6.981 11.879 9.274 129 HB3 GLU 17 2HB GLU 17 -5.640 12.308 8.222 130 HG2 GLU 17 1HG GLU 17 -4.333 12.889 10.276 131 HG3 GLU 17 2HG GLU 17 -5.649 12.201 11.225 132 H LYS 18 H LYS 18 -9.000 14.483 9.654 133 HA LYS 18 HA LYS 18 -8.577 14.818 12.552 134 HB2 LYS 18 1HB LYS 18 -10.599 16.379 12.402 135 HB3 LYS 18 2HB LYS 18 -9.071 16.980 11.771 136 HG2 LYS 18 1HG LYS 18 -9.765 16.599 9.522 137 HG3 LYS 18 2HG LYS 18 -11.213 15.744 10.059 138 HD2 LYS 18 1HD LYS 18 -11.654 18.031 11.317 139 HD3 LYS 18 2HD LYS 18 -10.620 18.659 10.032 140 HE2 LYS 18 1HE LYS 18 -12.823 16.821 9.266 141 HE3 LYS 18 2HE LYS 18 -13.257 18.455 9.765 142 HZ1 LYS 18 3HZ LYS 18 -12.722 19.136 7.743 143 HZ2 LYS 18 1HZ LYS 18 -12.196 17.589 7.303 144 HZ3 LYS 18 2HZ LYS 18 -11.115 18.680 8.011 145 H SER 19 H SER 19 -10.829 13.819 10.016 146 HA SER 19 HA SER 19 -12.717 12.708 11.878 147 HB2 SER 19 1HB SER 19 -12.887 11.751 9.112 148 HB3 SER 19 2HB SER 19 -14.096 12.577 10.095 149 HG SER 19 HG SER 19 -13.150 14.535 9.565 150 HA PRO 20 HA PRO 20 -11.175 8.629 12.347 151 HB2 PRO 20 1HB PRO 20 -13.434 7.128 12.228 152 HB3 PRO 20 2HB PRO 20 -13.043 8.168 13.603 153 HG2 PRO 20 1HG PRO 20 -14.882 8.687 11.299 154 HG3 PRO 20 2HG PRO 20 -15.123 9.030 13.022 155 HD2 PRO 20 1HD PRO 20 -14.380 10.935 11.247 156 HD3 PRO 20 2HD PRO 20 -13.859 10.956 12.944 157 H ARG 21 H ARG 21 -12.645 9.589 9.450 158 HA ARG 21 HA ARG 21 -11.650 7.165 8.104 159 HB2 ARG 21 1HB ARG 21 -14.217 8.661 7.705 160 HB3 ARG 21 2HB ARG 21 -13.490 7.793 6.359 161 HG2 ARG 21 1HG ARG 21 -14.229 6.564 9.006 162 HG3 ARG 21 2HG ARG 21 -15.204 6.483 7.538 163 HD2 ARG 21 1HD ARG 21 -13.164 5.451 6.426 164 HD3 ARG 21 2HD ARG 21 -12.499 5.276 8.049 165 HE ARG 21 HE ARG 21 -13.880 3.490 8.362 166 HH11 ARG 21 1HH1 ARG 21 -15.127 5.415 5.743 167 HH12 ARG 21 2HH1 ARG 21 -16.385 4.292 5.344 168 HH21 ARG 21 1HH2 ARG 21 -15.531 2.003 7.846 169 HH22 ARG 21 2HH2 ARG 21 -16.614 2.352 6.541 170 H GLU 22 H GLU 22 -9.876 9.099 8.393 171 HA GLU 22 HA GLU 22 -9.570 10.123 5.686 172 HB2 GLU 22 1HB GLU 22 -9.924 11.823 8.105 173 HB3 GLU 22 2HB GLU 22 -8.729 12.331 6.920 174 HG2 GLU 22 1HG GLU 22 -10.478 12.249 5.177 175 HG3 GLU 22 2HG GLU 22 -11.659 11.859 6.427 176 H VAL 23 H VAL 23 -7.418 10.554 5.104 177 HA VAL 23 HA VAL 23 -5.417 9.540 7.018 178 HB VAL 23 HB VAL 23 -4.074 8.970 4.931 179 HG11 VAL 23 1HG1 VAL 23 -6.452 7.254 4.797 180 HG12 VAL 23 2HG1 VAL 23 -4.772 6.844 5.149 181 HG13 VAL 23 3HG1 VAL 23 -5.805 7.502 6.419 182 HG21 VAL 23 3HG2 VAL 23 -5.372 8.593 2.879 183 HG22 VAL 23 1HG2 VAL 23 -6.780 9.329 3.646 184 HG23 VAL 23 2HG2 VAL 23 -5.339 10.297 3.333 185 H THR 24 H THR 24 -3.315 10.481 6.952 186 HA THR 24 HA THR 24 -3.391 13.321 6.372 187 HB THR 24 HB THR 24 -1.173 11.672 7.603 188 HG1 THR 24 HG1 THR 24 -2.194 11.940 9.447 189 HG21 THR 24 3HG2 THR 24 -0.609 14.032 8.525 190 HG22 THR 24 1HG2 THR 24 -1.564 14.611 7.161 191 HG23 THR 24 2HG2 THR 24 -0.132 13.621 6.878 192 H MET 25 H MET 25 -2.463 14.301 4.685 193 HA MET 25 HA MET 25 -0.476 12.816 3.109 194 HB2 MET 25 1HB MET 25 -1.522 13.753 1.042 195 HB3 MET 25 2HB MET 25 -2.527 12.583 1.887 196 HG2 MET 25 1HG MET 25 -3.998 14.214 2.652 197 HG3 MET 25 2HG MET 25 -2.850 15.518 2.361 198 HE1 MET 25 3HE MET 25 -5.052 13.065 -0.750 199 HE2 MET 25 1HE MET 25 -3.300 13.006 -0.952 200 HE3 MET 25 2HE MET 25 -4.030 12.500 0.572 201 H LYS 26 H LYS 26 1.126 14.044 2.144 202 HA LYS 26 HA LYS 26 1.096 16.931 2.716 203 HB2 LYS 26 1HB LYS 26 2.566 16.202 4.363 204 HB3 LYS 26 2HB LYS 26 3.202 14.902 3.364 205 HG2 LYS 26 1HG LYS 26 4.565 16.358 2.139 206 HG3 LYS 26 2HG LYS 26 3.690 17.785 2.699 207 HD2 LYS 26 1HD LYS 26 5.809 17.657 3.842 208 HD3 LYS 26 2HD LYS 26 4.512 17.331 4.994 209 HE2 LYS 26 1HE LYS 26 4.932 14.960 4.858 210 HE3 LYS 26 2HE LYS 26 6.126 15.208 3.586 211 HZ1 LYS 26 3HZ LYS 26 7.418 14.990 5.464 212 HZ2 LYS 26 1HZ LYS 26 6.329 15.818 6.459 213 HZ3 LYS 26 2HZ LYS 26 7.277 16.672 5.348 214 H LYS 27 H LYS 27 2.132 18.253 1.224 215 HA LYS 27 HA LYS 27 2.004 17.590 -1.442 216 HB2 LYS 27 1HB LYS 27 3.650 19.530 -1.757 217 HB3 LYS 27 2HB LYS 27 2.133 19.880 -0.939 218 HG2 LYS 27 1HG LYS 27 4.167 19.102 0.949 219 HG3 LYS 27 2HG LYS 27 4.700 20.459 -0.045 220 HD2 LYS 27 1HD LYS 27 2.015 20.399 1.312 221 HD3 LYS 27 2HD LYS 27 3.463 21.035 2.097 222 HE2 LYS 27 1HE LYS 27 2.399 22.000 -0.554 223 HE3 LYS 27 2HE LYS 27 2.047 22.767 0.994 224 HZ1 LYS 27 3HZ LYS 27 3.897 23.928 0.715 225 HZ2 LYS 27 1HZ LYS 27 4.342 23.032 -0.650 226 HZ3 LYS 27 2HZ LYS 27 4.788 22.500 0.892 227 H GLY 28 H GLY 28 2.988 15.868 -2.317 228 HA2 GLY 28 1HA GLY 28 5.203 15.402 -3.410 229 HA3 GLY 28 2HA GLY 28 5.876 15.533 -1.792 230 H ASP 29 H ASP 29 3.254 14.162 -0.887 231 HA ASP 29 HA ASP 29 4.356 11.508 -0.893 232 HB2 ASP 29 1HB ASP 29 1.991 12.834 0.369 233 HB3 ASP 29 2HB ASP 29 2.033 11.075 0.280 234 H ILE 30 H ILE 30 2.845 9.616 -1.347 235 HA ILE 30 HA ILE 30 1.086 10.114 -3.636 236 HB ILE 30 HB ILE 30 3.299 8.059 -3.649 237 HG12 ILE 30 1HG1 ILE 30 2.913 10.446 -5.462 238 HG13 ILE 30 2HG1 ILE 30 3.970 10.455 -4.054 239 HG21 ILE 30 1HG2 ILE 30 1.897 6.945 -4.991 240 HG22 ILE 30 2HG2 ILE 30 0.836 8.339 -5.192 241 HG23 ILE 30 3HG2 ILE 30 2.284 8.183 -6.186 242 HD11 ILE 30 3HD1 ILE 30 4.683 8.195 -5.549 243 HD12 ILE 30 1HD1 ILE 30 4.485 9.515 -6.701 244 HD13 ILE 30 2HD1 ILE 30 5.593 9.691 -5.340 245 H LEU 31 H LEU 31 -0.636 8.744 -3.790 246 HA LEU 31 HA LEU 31 -0.746 6.460 -1.948 247 HB2 LEU 31 1HB LEU 31 -3.164 8.162 -2.359 248 HB3 LEU 31 2HB LEU 31 -2.782 7.062 -1.036 249 HG LEU 31 HG LEU 31 -0.898 8.866 -0.567 250 HD11 LEU 31 1HD1 LEU 31 -1.228 10.360 -2.337 251 HD12 LEU 31 2HD1 LEU 31 -1.995 11.137 -0.952 252 HD13 LEU 31 3HD1 LEU 31 -2.983 10.320 -2.162 253 HD21 LEU 31 3HD2 LEU 31 -3.569 8.370 0.383 254 HD22 LEU 31 1HD2 LEU 31 -3.159 10.078 0.541 255 HD23 LEU 31 2HD2 LEU 31 -2.129 8.853 1.282 256 H THR 32 H THR 32 -2.638 5.011 -2.456 257 HA THR 32 HA THR 32 -2.745 4.627 -5.345 258 HB THR 32 HB THR 32 -3.762 2.804 -3.157 259 HG1 THR 32 HG1 THR 32 -1.390 2.433 -4.660 260 HG21 THR 32 3HG2 THR 32 -3.015 1.455 -5.549 261 HG22 THR 32 1HG2 THR 32 -4.107 2.772 -5.976 262 HG23 THR 32 2HG2 THR 32 -4.607 1.559 -4.798 263 H LEU 33 H LEU 33 -4.334 5.661 -6.368 264 HA LEU 33 HA LEU 33 -6.709 6.581 -5.180 265 HB2 LEU 33 1HB LEU 33 -5.485 7.181 -7.440 266 HB3 LEU 33 2HB LEU 33 -6.613 5.997 -8.097 267 HG LEU 33 HG LEU 33 -7.510 8.206 -8.401 268 HD11 LEU 33 1HD1 LEU 33 -9.142 6.508 -7.947 269 HD12 LEU 33 2HD1 LEU 33 -9.632 7.992 -7.131 270 HD13 LEU 33 3HD1 LEU 33 -8.902 6.678 -6.208 271 HD21 LEU 33 3HD2 LEU 33 -6.359 8.677 -5.839 272 HD22 LEU 33 1HD2 LEU 33 -8.083 9.040 -5.760 273 HD23 LEU 33 2HD2 LEU 33 -7.069 9.836 -6.964 274 H LEU 34 H LEU 34 -8.110 5.210 -4.262 275 HA LEU 34 HA LEU 34 -8.711 2.655 -5.516 276 HB2 LEU 34 1HB LEU 34 -8.509 3.439 -2.911 277 HB3 LEU 34 2HB LEU 34 -10.254 3.447 -3.153 278 HG LEU 34 HG LEU 34 -9.852 1.045 -4.094 279 HD11 LEU 34 1HD1 LEU 34 -7.407 1.463 -2.381 280 HD12 LEU 34 2HD1 LEU 34 -7.436 1.115 -4.109 281 HD13 LEU 34 3HD1 LEU 34 -7.993 -0.098 -2.957 282 HD21 LEU 34 3HD2 LEU 34 -9.775 1.806 -1.181 283 HD22 LEU 34 1HD2 LEU 34 -10.020 0.156 -1.754 284 HD23 LEU 34 2HD2 LEU 34 -11.188 1.413 -2.161 285 H ASN 35 H ASN 35 -10.373 5.653 -4.621 286 HA ASN 35 HA ASN 35 -12.402 5.059 -6.644 287 HB2 ASN 35 1HB ASN 35 -13.319 4.338 -4.454 288 HB3 ASN 35 2HB ASN 35 -13.081 5.971 -3.839 289 HD21 ASN 35 2HD2 ASN 35 -14.292 4.802 -6.953 290 HD22 ASN 35 1HD2 ASN 35 -15.825 5.593 -6.849 291 H SER 36 H SER 36 -12.780 6.756 -7.914 292 HA SER 36 HA SER 36 -12.128 9.443 -6.898 293 HB2 SER 36 1HB SER 36 -11.658 9.714 -9.560 294 HB3 SER 36 2HB SER 36 -10.404 9.345 -8.376 295 HG SER 36 HG SER 36 -10.533 7.923 -10.268 296 H THR 37 H THR 37 -14.642 7.726 -7.411 297 HA THR 37 HA THR 37 -16.163 8.741 -9.486 298 HB THR 37 HB THR 37 -16.866 6.869 -8.009 299 HG1 THR 37 HG1 THR 37 -18.616 7.457 -9.079 300 HG21 THR 37 3HG2 THR 37 -16.271 8.167 -5.885 301 HG22 THR 37 1HG2 THR 37 -17.752 7.211 -5.857 302 HG23 THR 37 2HG2 THR 37 -17.835 8.959 -6.076 303 H ASN 38 H ASN 38 -15.380 10.184 -6.397 304 HA ASN 38 HA ASN 38 -17.244 12.378 -6.797 305 HB2 ASN 38 1HB ASN 38 -16.194 11.165 -4.542 306 HB3 ASN 38 2HB ASN 38 -15.312 12.687 -4.627 307 HD21 ASN 38 2HD2 ASN 38 -17.007 12.152 -2.550 308 HD22 ASN 38 1HD2 ASN 38 -18.389 13.183 -2.647 309 H LYS 39 H LYS 39 -16.288 14.638 -6.300 310 HA LYS 39 HA LYS 39 -13.835 14.965 -7.900 311 HB2 LYS 39 1HB LYS 39 -16.260 16.755 -7.701 312 HB3 LYS 39 2HB LYS 39 -14.761 17.224 -8.492 313 HG2 LYS 39 1HG LYS 39 -15.017 15.409 -10.091 314 HG3 LYS 39 2HG LYS 39 -16.501 14.896 -9.284 315 HD2 LYS 39 1HD LYS 39 -16.194 17.686 -10.342 316 HD3 LYS 39 2HD LYS 39 -16.691 16.361 -11.396 317 HE2 LYS 39 1HE LYS 39 -18.593 15.901 -9.960 318 HE3 LYS 39 2HE LYS 39 -18.076 17.157 -8.836 319 HZ1 LYS 39 3HZ LYS 39 -19.293 18.567 -10.010 320 HZ2 LYS 39 1HZ LYS 39 -19.623 17.405 -11.195 321 HZ3 LYS 39 2HZ LYS 39 -18.235 18.364 -11.314 322 H ASP 40 H ASP 40 -15.370 15.528 -4.910 323 HA ASP 40 HA ASP 40 -13.402 17.568 -4.149 324 HB2 ASP 40 1HB ASP 40 -15.802 16.640 -2.564 325 HB3 ASP 40 2HB ASP 40 -14.818 18.072 -2.272 326 H TRP 41 H TRP 41 -14.858 14.590 -2.835 327 HA TRP 41 HA TRP 41 -12.427 14.190 -1.236 328 HB2 TRP 41 1HB TRP 41 -15.224 13.087 -0.969 329 HB3 TRP 41 2HB TRP 41 -13.862 12.465 -0.041 330 HD1 TRP 41 HD1 TRP 41 -16.513 15.024 0.108 331 HE1 TRP 41 HE1 TRP 41 -16.081 16.668 2.040 332 HE3 TRP 41 HE3 TRP 41 -11.676 13.762 1.182 333 HZ2 TRP 41 HZ2 TRP 41 -13.970 17.341 3.789 334 HZ3 TRP 41 HZ3 TRP 41 -10.522 14.954 2.999 335 HH2 TRP 41 HH2 TRP 41 -11.647 16.707 4.273 336 H TRP 42 H TRP 42 -11.023 12.652 -1.771 337 HA TRP 42 HA TRP 42 -11.891 10.586 -3.685 338 HB2 TRP 42 1HB TRP 42 -9.384 12.193 -3.481 339 HB3 TRP 42 2HB TRP 42 -9.268 10.543 -4.087 340 HD1 TRP 42 HD1 TRP 42 -12.509 11.904 -5.146 341 HE1 TRP 42 HE1 TRP 42 -12.413 12.709 -7.589 342 HE3 TRP 42 HE3 TRP 42 -7.440 11.887 -5.807 343 HZ2 TRP 42 HZ2 TRP 42 -10.448 13.263 -9.538 344 HZ3 TRP 42 HZ3 TRP 42 -6.533 12.568 -7.991 345 HH2 TRP 42 HH2 TRP 42 -8.007 13.241 -9.817 346 H LYS 43 H LYS 43 -11.456 8.478 -3.251 347 HA LYS 43 HA LYS 43 -10.449 7.887 -0.570 348 HB2 LYS 43 1HB LYS 43 -11.651 5.872 -2.447 349 HB3 LYS 43 2HB LYS 43 -11.598 5.843 -0.689 350 HG2 LYS 43 1HG LYS 43 -13.178 7.741 -0.646 351 HG3 LYS 43 2HG LYS 43 -13.281 7.655 -2.406 352 HD2 LYS 43 1HD LYS 43 -14.195 5.427 -2.291 353 HD3 LYS 43 2HD LYS 43 -13.958 5.381 -0.542 354 HE2 LYS 43 1HE LYS 43 -16.309 5.862 -1.328 355 HE3 LYS 43 2HE LYS 43 -15.630 7.011 -0.177 356 HZ1 LYS 43 3HZ LYS 43 -15.380 7.532 -3.060 357 HZ2 LYS 43 1HZ LYS 43 -15.427 8.629 -1.773 358 HZ3 LYS 43 2HZ LYS 43 -16.845 7.861 -2.282 359 H VAL 44 H VAL 44 -8.304 7.643 -0.507 360 HA VAL 44 HA VAL 44 -7.043 5.967 -2.580 361 HB VAL 44 HB VAL 44 -4.899 7.196 -1.845 362 HG11 VAL 44 1HG1 VAL 44 -5.481 7.649 -4.010 363 HG12 VAL 44 2HG1 VAL 44 -7.094 8.217 -3.574 364 HG13 VAL 44 3HG1 VAL 44 -5.690 9.249 -3.300 365 HG21 VAL 44 3HG2 VAL 44 -5.819 8.280 0.130 366 HG22 VAL 44 1HG2 VAL 44 -5.258 9.483 -1.031 367 HG23 VAL 44 2HG2 VAL 44 -6.982 9.150 -0.870 368 H GLU 45 H GLU 45 -5.381 4.538 -1.918 369 HA GLU 45 HA GLU 45 -5.679 3.657 0.857 370 HB2 GLU 45 1HB GLU 45 -5.856 2.177 -1.337 371 HB3 GLU 45 2HB GLU 45 -4.110 2.106 -1.150 372 HG2 GLU 45 1HG GLU 45 -4.473 1.296 1.183 373 HG3 GLU 45 2HG GLU 45 -6.194 1.194 0.815 374 H VAL 46 H VAL 46 -4.024 3.588 2.292 375 HA VAL 46 HA VAL 46 -1.396 4.551 1.362 376 HB VAL 46 HB VAL 46 -1.088 5.746 3.434 377 HG11 VAL 46 1HG1 VAL 46 -3.842 6.513 2.524 378 HG12 VAL 46 2HG1 VAL 46 -2.513 7.554 3.039 379 HG13 VAL 46 3HG1 VAL 46 -2.436 6.729 1.482 380 HG21 VAL 46 3HG2 VAL 46 -2.273 4.288 4.951 381 HG22 VAL 46 1HG2 VAL 46 -2.920 5.924 5.088 382 HG23 VAL 46 2HG2 VAL 46 -3.813 4.694 4.192 383 H LYS 47 H LYS 47 0.240 4.167 3.329 384 HA LYS 47 HA LYS 47 -0.084 1.352 4.141 385 HB2 LYS 47 1HB LYS 47 1.728 2.094 2.365 386 HB3 LYS 47 2HB LYS 47 2.625 2.566 3.803 387 HG2 LYS 47 1HG LYS 47 2.963 0.423 4.466 388 HG3 LYS 47 2HG LYS 47 1.445 -0.150 3.773 389 HD2 LYS 47 1HD LYS 47 2.740 0.524 1.520 390 HD3 LYS 47 2HD LYS 47 4.121 0.117 2.541 391 HE2 LYS 47 1HE LYS 47 3.492 -2.087 2.743 392 HE3 LYS 47 2HE LYS 47 1.789 -1.738 2.454 393 HZ1 LYS 47 3HZ LYS 47 3.648 -1.239 0.259 394 HZ2 LYS 47 1HZ LYS 47 2.056 -1.809 0.220 395 HZ3 LYS 47 2HZ LYS 47 3.318 -2.855 0.635 396 H ILE 48 H ILE 48 -0.380 1.196 6.258 397 HA ILE 48 HA ILE 48 0.974 3.132 8.018 398 HB ILE 48 HB ILE 48 -1.530 1.533 8.562 399 HG12 ILE 48 1HG1 ILE 48 -1.319 4.528 8.347 400 HG13 ILE 48 2HG1 ILE 48 -1.599 3.529 6.925 401 HG21 ILE 48 1HG2 ILE 48 0.105 3.393 10.248 402 HG22 ILE 48 2HG2 ILE 48 -1.617 3.166 10.549 403 HG23 ILE 48 3HG2 ILE 48 -0.517 1.791 10.642 404 HD11 ILE 48 3HD1 ILE 48 -3.574 4.590 8.318 405 HD12 ILE 48 1HD1 ILE 48 -3.721 3.017 7.535 406 HD13 ILE 48 2HD1 ILE 48 -3.369 3.114 9.261 407 H THR 49 H THR 49 2.094 2.412 9.806 408 HA THR 49 HA THR 49 2.580 -0.494 9.915 409 HB THR 49 HB THR 49 4.491 1.736 10.640 410 HG1 THR 49 HG1 THR 49 4.794 1.659 8.538 411 HG21 THR 49 3HG2 THR 49 5.794 -0.753 10.319 412 HG22 THR 49 1HG2 THR 49 4.424 -1.020 11.396 413 HG23 THR 49 2HG2 THR 49 5.630 0.206 11.790 414 H VAL 50 H VAL 50 2.043 -1.498 11.737 415 HA VAL 50 HA VAL 50 2.017 0.003 14.257 416 HB VAL 50 HB VAL 50 -0.261 -1.745 13.315 417 HG11 VAL 50 1HG1 VAL 50 -1.342 -0.930 15.432 418 HG12 VAL 50 2HG1 VAL 50 -0.002 -2.055 15.658 419 HG13 VAL 50 3HG1 VAL 50 0.241 -0.328 15.923 420 HG21 VAL 50 3HG2 VAL 50 -1.578 0.351 13.457 421 HG22 VAL 50 1HG2 VAL 50 -0.080 1.233 13.755 422 HG23 VAL 50 2HG2 VAL 50 -0.324 0.401 12.219 423 H ASN 51 H ASN 51 3.011 -1.067 15.835 424 HA ASN 51 HA ASN 51 4.104 -2.710 16.968 425 HB2 ASN 51 1HB ASN 51 1.681 -4.144 15.921 426 HB3 ASN 51 2HB ASN 51 2.904 -5.017 16.840 427 HD21 ASN 51 2HD2 ASN 51 0.035 -4.101 17.319 428 HD22 ASN 51 1HD2 ASN 51 0.094 -3.387 18.891 429 H GLY 52 H GLY 52 4.837 -2.170 14.162 430 HA2 GLY 52 1HA GLY 52 6.558 -2.964 12.830 431 HA3 GLY 52 2HA GLY 52 6.614 -4.411 13.825 432 H LYS 53 H LYS 53 3.540 -3.536 12.584 433 HA LYS 53 HA LYS 53 3.772 -5.655 10.549 434 HB2 LYS 53 1HB LYS 53 1.279 -4.809 12.034 435 HB3 LYS 53 2HB LYS 53 1.425 -6.153 10.909 436 HG2 LYS 53 1HG LYS 53 2.845 -5.935 13.556 437 HG3 LYS 53 2HG LYS 53 1.394 -6.891 13.242 438 HD2 LYS 53 1HD LYS 53 3.969 -7.272 11.728 439 HD3 LYS 53 2HD LYS 53 3.586 -8.153 13.208 440 HE2 LYS 53 1HE LYS 53 1.419 -8.826 12.025 441 HE3 LYS 53 2HE LYS 53 2.194 -8.256 10.548 442 HZ1 LYS 53 3HZ LYS 53 3.865 -9.877 10.733 443 HZ2 LYS 53 1HZ LYS 53 2.422 -10.696 11.062 444 HZ3 LYS 53 2HZ LYS 53 3.453 -10.259 12.329 445 H THR 54 H THR 54 2.904 -5.317 8.526 446 HA THR 54 HA THR 54 2.492 -2.531 7.805 447 HB THR 54 HB THR 54 2.163 -4.216 5.541 448 HG1 THR 54 HG1 THR 54 3.220 -5.905 6.436 449 HG21 THR 54 3HG2 THR 54 3.109 -2.027 5.382 450 HG22 THR 54 1HG2 THR 54 4.357 -3.175 4.899 451 HG23 THR 54 2HG2 THR 54 4.406 -2.444 6.503 452 H TYR 55 H TYR 55 0.580 -1.633 7.365 453 HA TYR 55 HA TYR 55 -1.732 -3.405 6.933 454 HB2 TYR 55 1HB TYR 55 -1.549 -0.940 8.665 455 HB3 TYR 55 2HB TYR 55 -3.083 -1.628 8.144 456 HD1 TYR 55 HD1 TYR 55 -3.765 -3.873 8.937 457 HD2 TYR 55 HD2 TYR 55 -0.268 -1.950 10.412 458 HE1 TYR 55 HE1 TYR 55 -3.721 -5.428 10.843 459 HE2 TYR 55 HE2 TYR 55 -0.213 -3.499 12.321 460 HH TYR 55 HH TYR 55 -1.916 -4.924 13.583 461 H GLU 56 H GLU 56 -3.372 -2.622 5.569 462 HA GLU 56 HA GLU 56 -2.748 -0.179 4.062 463 HB2 GLU 56 1HB GLU 56 -3.392 -2.895 2.913 464 HB3 GLU 56 2HB GLU 56 -3.492 -1.408 1.981 465 HG2 GLU 56 1HG GLU 56 -1.185 -1.055 2.072 466 HG3 GLU 56 2HG GLU 56 -0.974 -2.200 3.396 467 H ARG 57 H ARG 57 -4.425 1.152 4.000 468 HA ARG 57 HA ARG 57 -7.132 0.095 3.808 469 HB2 ARG 57 1HB ARG 57 -7.983 1.276 5.695 470 HB3 ARG 57 2HB ARG 57 -6.585 0.365 6.251 471 HG2 ARG 57 1HG ARG 57 -5.233 2.461 5.987 472 HG3 ARG 57 2HG ARG 57 -6.750 3.314 5.695 473 HD2 ARG 57 1HD ARG 57 -7.178 1.796 8.003 474 HD3 ARG 57 2HD ARG 57 -5.562 2.479 8.184 475 HE ARG 57 HE ARG 57 -6.500 4.556 8.420 476 HH11 ARG 57 1HH1 ARG 57 -8.881 2.356 7.150 477 HH12 ARG 57 2HH1 ARG 57 -10.193 3.475 7.316 478 HH21 ARG 57 1HH2 ARG 57 -8.219 6.038 8.643 479 HH22 ARG 57 2HH2 ARG 57 -9.816 5.569 8.165 480 H GLN 58 H GLN 58 -8.715 1.749 3.248 481 HA GLN 58 HA GLN 58 -7.483 3.849 1.624 482 HB2 GLN 58 1HB GLN 58 -9.426 3.853 0.307 483 HB3 GLN 58 2HB GLN 58 -9.166 2.156 0.692 484 HG2 GLN 58 1HG GLN 58 -10.847 2.295 2.455 485 HG3 GLN 58 2HG GLN 58 -11.105 3.997 2.075 486 HE21 GLN 58 2HE2 GLN 58 -11.105 3.970 -0.651 487 HE22 GLN 58 1HE2 GLN 58 -12.451 3.055 -1.230 488 H GLY 59 H GLY 59 -8.115 6.011 1.745 489 HA2 GLY 59 1HA GLY 59 -9.909 6.763 3.943 490 HA3 GLY 59 2HA GLY 59 -8.269 7.395 3.950 491 H PHE 60 H PHE 60 -10.622 8.975 3.879 492 HA PHE 60 HA PHE 60 -10.952 9.902 1.158 493 HB2 PHE 60 1HB PHE 60 -12.075 10.905 3.781 494 HB3 PHE 60 2HB PHE 60 -12.477 11.585 2.207 495 HD1 PHE 60 HD2 PHE 60 -12.483 8.348 4.047 496 HD2 PHE 60 HD1 PHE 60 -14.300 10.772 1.057 497 HE1 PHE 60 HE2 PHE 60 -14.274 6.681 3.789 498 HE2 PHE 60 HE1 PHE 60 -16.095 9.109 0.795 499 HZ PHE 60 HZ PHE 60 -16.082 7.060 2.161 500 H VAL 61 H VAL 61 -10.128 11.735 0.273 501 HA VAL 61 HA VAL 61 -8.660 13.624 1.932 502 HB VAL 61 HB VAL 61 -6.697 13.520 0.325 503 HG11 VAL 61 1HG1 VAL 61 -5.576 12.270 1.831 504 HG12 VAL 61 2HG1 VAL 61 -7.105 12.328 2.711 505 HG13 VAL 61 3HG1 VAL 61 -6.710 10.925 1.717 506 HG21 VAL 61 3HG2 VAL 61 -6.331 11.386 -0.825 507 HG22 VAL 61 1HG2 VAL 61 -7.935 10.847 -0.328 508 HG23 VAL 61 2HG2 VAL 61 -7.766 12.212 -1.432 509 HA PRO 62 HA PRO 62 -10.176 16.563 -0.956 510 HB2 PRO 62 1HB PRO 62 -8.234 18.457 -0.848 511 HB3 PRO 62 2HB PRO 62 -9.387 18.187 0.464 512 HG2 PRO 62 1HG PRO 62 -6.562 17.232 0.198 513 HG3 PRO 62 2HG PRO 62 -7.387 17.904 1.617 514 HD2 PRO 62 1HD PRO 62 -7.003 15.246 1.279 515 HD3 PRO 62 2HD PRO 62 -8.421 15.906 2.119 516 H ALA 63 H ALA 63 -10.183 15.816 -3.018 517 HA ALA 63 HA ALA 63 -7.933 15.057 -4.512 518 HB1 ALA 63 1HB ALA 63 -10.390 14.521 -4.945 519 HB2 ALA 63 2HB ALA 63 -10.467 16.092 -5.744 520 HB3 ALA 63 3HB ALA 63 -9.373 14.848 -6.349 521 H ALA 64 H ALA 64 -9.492 18.159 -4.056 522 HA ALA 64 HA ALA 64 -8.270 19.530 -6.203 523 HB1 ALA 64 1HB ALA 64 -10.230 20.416 -5.081 524 HB2 ALA 64 2HB ALA 64 -9.316 20.598 -3.583 525 HB3 ALA 64 3HB ALA 64 -8.902 21.574 -4.993 526 H TYR 65 H TYR 65 -6.991 18.309 -3.318 527 HA TYR 65 HA TYR 65 -4.760 20.212 -3.318 528 HB2 TYR 65 1HB TYR 65 -5.899 18.334 -1.297 529 HB3 TYR 65 2HB TYR 65 -4.188 18.733 -1.194 530 HD1 TYR 65 HD2 TYR 65 -6.860 21.029 -2.327 531 HD2 TYR 65 HD1 TYR 65 -4.209 19.969 0.828 532 HE1 TYR 65 HE2 TYR 65 -7.422 23.120 -1.160 533 HE2 TYR 65 HE1 TYR 65 -4.764 22.057 2.004 534 HH TYR 65 HH TYR 65 -7.111 23.708 1.812 535 H VAL 66 H VAL 66 -5.569 17.336 -4.704 536 HA VAL 66 HA VAL 66 -2.741 16.558 -4.948 537 HB VAL 66 HB VAL 66 -3.314 14.214 -4.942 538 HG11 VAL 66 1HG1 VAL 66 -3.253 14.083 -2.711 539 HG12 VAL 66 2HG1 VAL 66 -3.345 15.846 -2.732 540 HG13 VAL 66 3HG1 VAL 66 -4.812 14.886 -2.533 541 HG21 VAL 66 3HG2 VAL 66 -5.970 15.213 -5.381 542 HG22 VAL 66 1HG2 VAL 66 -5.351 13.570 -5.553 543 HG23 VAL 66 2HG2 VAL 66 -5.954 14.126 -3.992 544 H LYS 67 H LYS 67 -2.733 14.716 -6.809 545 HA LYS 67 HA LYS 67 -4.530 15.225 -8.983 546 HB2 LYS 67 1HB LYS 67 -2.916 16.169 -10.534 547 HB3 LYS 67 2HB LYS 67 -3.074 17.213 -9.128 548 HG2 LYS 67 1HG LYS 67 -0.935 16.943 -8.535 549 HG3 LYS 67 2HG LYS 67 -0.947 15.216 -8.903 550 HD2 LYS 67 1HD LYS 67 0.587 16.260 -10.403 551 HD3 LYS 67 2HD LYS 67 -0.850 15.827 -11.333 552 HE2 LYS 67 1HE LYS 67 -0.716 17.949 -12.068 553 HE3 LYS 67 2HE LYS 67 -1.497 18.331 -10.535 554 HZ1 LYS 67 3HZ LYS 67 0.998 19.175 -11.443 555 HZ2 LYS 67 1HZ LYS 67 1.276 18.147 -10.128 556 HZ3 LYS 67 2HZ LYS 67 0.273 19.497 -9.948 557 H LYS 68 H LYS 68 -4.182 13.818 -10.779 558 HA LYS 68 HA LYS 68 -3.296 11.252 -10.086 559 HB2 LYS 68 1HB LYS 68 -4.946 11.940 -11.920 560 HB3 LYS 68 2HB LYS 68 -3.532 12.247 -12.920 561 HG2 LYS 68 1HG LYS 68 -2.972 10.015 -13.053 562 HG3 LYS 68 2HG LYS 68 -3.848 9.600 -11.578 563 HD2 LYS 68 1HD LYS 68 -5.288 10.587 -14.019 564 HD3 LYS 68 2HD LYS 68 -4.852 8.886 -13.839 565 HE2 LYS 68 1HE LYS 68 -6.062 8.857 -11.675 566 HE3 LYS 68 2HE LYS 68 -6.571 10.518 -11.974 567 HZ1 LYS 68 3HZ LYS 68 -7.136 8.701 -14.140 568 HZ2 LYS 68 1HZ LYS 68 -8.131 9.859 -13.410 569 HZ3 LYS 68 2HZ LYS 68 -7.955 8.331 -12.707 570 H LEU 69 H LEU 69 -1.395 10.215 -10.270 571 HA LEU 69 HA LEU 69 1.009 11.583 -10.483 572 HB2 LEU 69 1HB LEU 69 0.865 9.426 -9.422 573 HB3 LEU 69 2HB LEU 69 0.406 8.667 -10.945 574 HG LEU 69 HG LEU 69 2.637 9.111 -11.842 575 HD11 LEU 69 1HD1 LEU 69 3.275 11.105 -10.734 576 HD12 LEU 69 2HD1 LEU 69 4.406 9.856 -10.214 577 HD13 LEU 69 3HD1 LEU 69 3.098 10.362 -9.145 578 HD21 LEU 69 3HD2 LEU 69 2.983 7.811 -9.159 579 HD22 LEU 69 1HD2 LEU 69 3.746 7.402 -10.696 580 HD23 LEU 69 2HD2 LEU 69 2.035 7.055 -10.441 581 H ASP 70 H ASP 70 -0.879 9.945 -12.958 582 HA ASP 70 HA ASP 70 1.142 10.421 -14.987 583 HB2 ASP 70 1HB ASP 70 -1.541 9.064 -14.971 584 HB3 ASP 70 2HB ASP 70 -0.734 9.451 -16.487 Start of MODEL 20 1 H1 MET 1 H MET 1 3.328 -3.821 -17.798 2 HA MET 1 HA MET 1 2.361 -1.168 -17.154 3 HB2 MET 1 1HB MET 1 1.189 -3.925 -17.082 4 HB3 MET 1 2HB MET 1 0.401 -2.618 -16.209 5 HG2 MET 1 1HG MET 1 0.021 -1.396 -18.198 6 HG3 MET 1 2HG MET 1 1.081 -2.452 -19.128 7 HE1 MET 1 3HE MET 1 -2.019 -1.658 -17.518 8 HE2 MET 1 1HE MET 1 -2.900 -1.978 -19.013 9 HE3 MET 1 2HE MET 1 -3.105 -3.045 -17.623 10 H ASP 2 H ASP 2 4.547 -1.413 -15.698 11 HA ASP 2 HA ASP 2 3.601 -2.085 -12.988 12 HB2 ASP 2 1HB ASP 2 6.411 -2.185 -14.104 13 HB3 ASP 2 2HB ASP 2 6.006 -2.413 -12.405 14 H GLU 3 H GLU 3 2.783 0.280 -13.623 15 HA GLU 3 HA GLU 3 4.796 2.302 -13.070 16 HB2 GLU 3 1HB GLU 3 3.093 2.708 -14.806 17 HB3 GLU 3 2HB GLU 3 1.831 2.588 -13.588 18 HG2 GLU 3 1HG GLU 3 2.396 4.909 -14.205 19 HG3 GLU 3 2HG GLU 3 2.613 4.564 -12.490 20 H THR 4 H THR 4 2.256 0.593 -11.448 21 HA THR 4 HA THR 4 3.099 1.349 -8.884 22 HB THR 4 HB THR 4 2.198 3.529 -9.262 23 HG1 THR 4 HG1 THR 4 0.050 2.357 -7.881 24 HG21 THR 4 3HG2 THR 4 -0.043 3.958 -10.031 25 HG22 THR 4 1HG2 THR 4 -0.416 2.235 -10.041 26 HG23 THR 4 2HG2 THR 4 0.752 2.890 -11.189 27 H GLY 5 H GLY 5 0.457 0.260 -10.934 28 HA2 GLY 5 1HA GLY 5 -0.085 -2.166 -10.302 29 HA3 GLY 5 2HA GLY 5 -0.499 -1.466 -8.744 30 H LYS 6 H LYS 6 -1.939 0.687 -9.231 31 HA LYS 6 HA LYS 6 -4.042 -0.074 -11.134 32 HB2 LYS 6 1HB LYS 6 -4.329 0.430 -8.191 33 HB3 LYS 6 2HB LYS 6 -5.660 0.799 -9.280 34 HG2 LYS 6 1HG LYS 6 -6.191 -1.332 -8.646 35 HG3 LYS 6 2HG LYS 6 -5.265 -1.646 -10.116 36 HD2 LYS 6 1HD LYS 6 -3.430 -2.425 -8.952 37 HD3 LYS 6 2HD LYS 6 -3.852 -1.535 -7.487 38 HE2 LYS 6 1HE LYS 6 -5.462 -3.850 -8.545 39 HE3 LYS 6 2HE LYS 6 -4.157 -4.033 -7.374 40 HZ1 LYS 6 3HZ LYS 6 -6.230 -2.071 -6.767 41 HZ2 LYS 6 1HZ LYS 6 -5.373 -3.096 -5.729 42 HZ3 LYS 6 2HZ LYS 6 -6.658 -3.703 -6.646 43 H GLU 7 H GLU 7 -3.720 2.474 -8.670 44 HA GLU 7 HA GLU 7 -3.290 4.501 -10.681 45 HB2 GLU 7 1HB GLU 7 -5.899 4.232 -9.217 46 HB3 GLU 7 2HB GLU 7 -5.329 5.804 -9.759 47 HG2 GLU 7 1HG GLU 7 -6.546 5.266 -11.575 48 HG3 GLU 7 2HG GLU 7 -5.048 4.463 -12.041 49 H LEU 8 H LEU 8 -1.698 5.630 -9.792 50 HA LEU 8 HA LEU 8 -1.666 6.031 -6.889 51 HB2 LEU 8 1HB LEU 8 0.310 5.196 -8.485 52 HB3 LEU 8 2HB LEU 8 0.589 6.933 -8.584 53 HG LEU 8 HG LEU 8 0.836 7.024 -6.145 54 HD11 LEU 8 1HD1 LEU 8 1.249 4.535 -5.226 55 HD12 LEU 8 2HD1 LEU 8 -0.046 4.221 -6.381 56 HD13 LEU 8 3HD1 LEU 8 -0.289 5.386 -5.080 57 HD21 LEU 8 3HD2 LEU 8 2.829 5.116 -6.299 58 HD22 LEU 8 1HD2 LEU 8 2.969 6.814 -6.753 59 HD23 LEU 8 2HD2 LEU 8 2.583 5.603 -7.976 60 H VAL 9 H VAL 9 -1.383 8.088 -5.974 61 HA VAL 9 HA VAL 9 -1.764 10.381 -7.770 62 HB VAL 9 HB VAL 9 -3.329 11.361 -6.049 63 HG11 VAL 9 1HG1 VAL 9 -4.659 8.926 -7.084 64 HG12 VAL 9 2HG1 VAL 9 -5.130 10.621 -7.218 65 HG13 VAL 9 3HG1 VAL 9 -3.864 9.970 -8.261 66 HG21 VAL 9 3HG2 VAL 9 -4.424 9.920 -4.485 67 HG22 VAL 9 1HG2 VAL 9 -3.583 8.506 -5.120 68 HG23 VAL 9 2HG2 VAL 9 -2.685 9.749 -4.249 69 H LEU 10 H LEU 10 -0.597 12.148 -7.256 70 HA LEU 10 HA LEU 10 1.048 11.997 -4.825 71 HB2 LEU 10 1HB LEU 10 2.298 12.079 -6.902 72 HB3 LEU 10 2HB LEU 10 1.448 13.547 -7.380 73 HG LEU 10 HG LEU 10 2.509 14.497 -5.170 74 HD11 LEU 10 1HD1 LEU 10 4.723 12.642 -5.886 75 HD12 LEU 10 2HD1 LEU 10 3.455 12.077 -4.800 76 HD13 LEU 10 3HD1 LEU 10 4.409 13.499 -4.377 77 HD21 LEU 10 3HD2 LEU 10 4.255 15.437 -6.466 78 HD22 LEU 10 1HD2 LEU 10 2.898 15.186 -7.563 79 HD23 LEU 10 2HD2 LEU 10 4.262 14.068 -7.579 80 H ALA 11 H ALA 11 0.850 13.472 -3.256 81 HA ALA 11 HA ALA 11 -1.269 15.407 -3.404 82 HB1 ALA 11 1HB ALA 11 -0.607 15.945 -1.079 83 HB2 ALA 11 2HB ALA 11 -0.919 14.227 -1.336 84 HB3 ALA 11 3HB ALA 11 0.740 14.817 -1.236 85 H LEU 12 H LEU 12 -1.105 17.439 -4.072 86 HA LEU 12 HA LEU 12 1.519 18.566 -4.610 87 HB2 LEU 12 1HB LEU 12 -1.250 19.612 -5.184 88 HB3 LEU 12 2HB LEU 12 0.250 20.380 -5.700 89 HG LEU 12 HG LEU 12 -0.856 17.734 -6.630 90 HD11 LEU 12 1HD1 LEU 12 -0.638 20.470 -7.796 91 HD12 LEU 12 2HD1 LEU 12 -1.979 19.326 -7.848 92 HD13 LEU 12 3HD1 LEU 12 -0.556 19.063 -8.857 93 HD21 LEU 12 3HD2 LEU 12 1.472 17.398 -6.522 94 HD22 LEU 12 1HD2 LEU 12 1.816 19.032 -7.091 95 HD23 LEU 12 2HD2 LEU 12 1.139 17.837 -8.198 96 H TYR 13 H TYR 13 -1.280 19.172 -2.556 97 HA TYR 13 HA TYR 13 0.242 21.295 -1.195 98 HB2 TYR 13 1HB TYR 13 -2.748 20.848 -1.306 99 HB3 TYR 13 2HB TYR 13 -1.951 22.113 -0.378 100 HD1 TYR 13 HD1 TYR 13 -2.377 20.845 -3.852 101 HD2 TYR 13 HD2 TYR 13 -1.495 24.181 -1.362 102 HE1 TYR 13 HE1 TYR 13 -2.451 22.323 -5.816 103 HE2 TYR 13 HE2 TYR 13 -1.567 25.668 -3.320 104 HH TYR 13 HH TYR 13 -1.442 24.593 -6.450 105 H ASP 14 H ASP 14 -0.949 21.493 1.175 106 HA ASP 14 HA ASP 14 -0.390 18.893 2.420 107 HB2 ASP 14 1HB ASP 14 -0.121 20.235 4.520 108 HB3 ASP 14 2HB ASP 14 1.031 20.645 3.252 109 H TYR 15 H TYR 15 -1.833 17.897 3.762 110 HA TYR 15 HA TYR 15 -4.386 19.230 4.299 111 HB2 TYR 15 1HB TYR 15 -4.594 17.840 2.220 112 HB3 TYR 15 2HB TYR 15 -4.215 16.422 3.191 113 HD1 TYR 15 HD2 TYR 15 -6.598 19.302 3.151 114 HD2 TYR 15 HD1 TYR 15 -5.969 15.192 4.056 115 HE1 TYR 15 HE2 TYR 15 -8.978 19.071 3.730 116 HE2 TYR 15 HE1 TYR 15 -8.347 14.949 4.636 117 HH TYR 15 HH TYR 15 -10.238 16.893 5.496 118 H GLN 16 H GLN 16 -5.651 18.170 5.979 119 HA GLN 16 HA GLN 16 -4.034 16.461 7.747 120 HB2 GLN 16 1HB GLN 16 -5.191 17.706 9.658 121 HB3 GLN 16 2HB GLN 16 -3.910 18.557 8.805 122 HG2 GLN 16 1HG GLN 16 -5.711 20.073 9.181 123 HG3 GLN 16 2HG GLN 16 -5.637 19.709 7.457 124 HE21 GLN 16 2HE2 GLN 16 -7.542 19.444 6.569 125 HE22 GLN 16 1HE2 GLN 16 -8.947 18.790 7.331 126 H GLU 17 H GLU 17 -5.215 15.058 9.136 127 HA GLU 17 HA GLU 17 -7.820 14.323 8.022 128 HB2 GLU 17 1HB GLU 17 -7.486 12.160 8.944 129 HB3 GLU 17 2HB GLU 17 -5.951 12.636 8.230 130 HG2 GLU 17 1HG GLU 17 -5.250 13.378 10.538 131 HG3 GLU 17 2HG GLU 17 -6.693 12.562 11.138 132 H LYS 18 H LYS 18 -9.677 14.442 9.142 133 HA LYS 18 HA LYS 18 -9.512 15.348 11.942 134 HB2 LYS 18 1HB LYS 18 -10.439 16.963 10.200 135 HB3 LYS 18 2HB LYS 18 -11.814 15.874 10.066 136 HG2 LYS 18 1HG LYS 18 -11.057 16.805 12.777 137 HG3 LYS 18 2HG LYS 18 -11.819 17.964 11.686 138 HD2 LYS 18 1HD LYS 18 -13.809 16.841 11.663 139 HD3 LYS 18 2HD LYS 18 -13.049 15.270 11.926 140 HE2 LYS 18 1HE LYS 18 -14.135 15.669 13.939 141 HE3 LYS 18 2HE LYS 18 -12.485 16.193 14.270 142 HZ1 LYS 18 3HZ LYS 18 -13.120 18.315 14.504 143 HZ2 LYS 18 1HZ LYS 18 -14.663 17.668 14.760 144 HZ3 LYS 18 2HZ LYS 18 -14.233 18.250 13.232 145 H SER 19 H SER 19 -11.354 13.390 9.639 146 HA SER 19 HA SER 19 -12.862 12.152 11.799 147 HB2 SER 19 1HB SER 19 -13.248 10.927 9.202 148 HB3 SER 19 2HB SER 19 -14.414 11.766 10.226 149 HG SER 19 HG SER 19 -13.508 13.748 9.374 150 HA PRO 20 HA PRO 20 -10.458 8.506 12.206 151 HB2 PRO 20 1HB PRO 20 -12.353 6.578 12.457 152 HB3 PRO 20 2HB PRO 20 -12.014 7.762 13.724 153 HG2 PRO 20 1HG PRO 20 -14.199 7.751 11.677 154 HG3 PRO 20 2HG PRO 20 -14.285 8.150 13.403 155 HD2 PRO 20 1HD PRO 20 -14.185 10.046 11.472 156 HD3 PRO 20 2HD PRO 20 -13.468 10.281 13.079 157 H ARG 21 H ARG 21 -12.602 8.847 9.553 158 HA ARG 21 HA ARG 21 -11.458 6.490 8.219 159 HB2 ARG 21 1HB ARG 21 -13.326 6.762 6.598 160 HB3 ARG 21 2HB ARG 21 -13.867 6.458 8.243 161 HG2 ARG 21 1HG ARG 21 -14.259 8.889 8.514 162 HG3 ARG 21 2HG ARG 21 -13.839 9.105 6.814 163 HD2 ARG 21 1HD ARG 21 -15.667 7.308 6.402 164 HD3 ARG 21 2HD ARG 21 -16.212 7.742 8.021 165 HE ARG 21 HE ARG 21 -16.587 9.247 5.641 166 HH11 ARG 21 1HH1 ARG 21 -16.020 9.561 9.061 167 HH12 ARG 21 2HH1 ARG 21 -16.779 11.114 9.176 168 HH21 ARG 21 1HH2 ARG 21 -17.589 11.291 5.779 169 HH22 ARG 21 2HH2 ARG 21 -17.672 12.097 7.309 170 H GLU 22 H GLU 22 -10.185 9.166 8.597 171 HA GLU 22 HA GLU 22 -9.725 9.766 5.750 172 HB2 GLU 22 1HB GLU 22 -9.889 11.670 8.083 173 HB3 GLU 22 2HB GLU 22 -9.168 12.114 6.543 174 HG2 GLU 22 1HG GLU 22 -11.506 11.192 5.654 175 HG3 GLU 22 2HG GLU 22 -12.002 11.704 7.266 176 H VAL 23 H VAL 23 -7.586 10.500 5.210 177 HA VAL 23 HA VAL 23 -5.542 9.650 7.158 178 HB VAL 23 HB VAL 23 -4.129 9.008 5.214 179 HG11 VAL 23 1HG1 VAL 23 -6.213 7.198 4.600 180 HG12 VAL 23 2HG1 VAL 23 -4.858 6.970 5.707 181 HG13 VAL 23 3HG1 VAL 23 -6.380 7.639 6.299 182 HG21 VAL 23 3HG2 VAL 23 -4.986 10.243 3.414 183 HG22 VAL 23 1HG2 VAL 23 -5.438 8.575 3.063 184 HG23 VAL 23 2HG2 VAL 23 -6.636 9.696 3.710 185 H THR 24 H THR 24 -3.687 10.874 7.336 186 HA THR 24 HA THR 24 -3.915 13.609 6.397 187 HB THR 24 HB THR 24 -1.841 12.325 8.187 188 HG1 THR 24 HG1 THR 24 -3.026 13.361 9.838 189 HG21 THR 24 3HG2 THR 24 -1.408 14.749 8.812 190 HG22 THR 24 1HG2 THR 24 -2.310 15.183 7.361 191 HG23 THR 24 2HG2 THR 24 -0.827 14.238 7.227 192 H MET 25 H MET 25 -2.868 14.438 4.709 193 HA MET 25 HA MET 25 -0.515 13.006 3.670 194 HB2 MET 25 1HB MET 25 -1.276 13.610 1.373 195 HB3 MET 25 2HB MET 25 -2.336 12.471 2.193 196 HG2 MET 25 1HG MET 25 -3.916 14.218 2.681 197 HG3 MET 25 2HG MET 25 -2.830 15.432 2.008 198 HE1 MET 25 3HE MET 25 -5.171 16.035 1.023 199 HE2 MET 25 1HE MET 25 -4.066 16.460 -0.284 200 HE3 MET 25 2HE MET 25 -5.555 15.583 -0.639 201 H LYS 26 H LYS 26 0.911 14.352 2.336 202 HA LYS 26 HA LYS 26 0.660 17.233 2.772 203 HB2 LYS 26 1HB LYS 26 3.022 15.555 3.624 204 HB3 LYS 26 2HB LYS 26 3.092 17.304 3.449 205 HG2 LYS 26 1HG LYS 26 1.061 16.000 5.223 206 HG3 LYS 26 2HG LYS 26 2.702 16.331 5.783 207 HD2 LYS 26 1HD LYS 26 1.175 18.525 4.470 208 HD3 LYS 26 2HD LYS 26 0.753 18.078 6.125 209 HE2 LYS 26 1HE LYS 26 2.351 19.651 6.550 210 HE3 LYS 26 2HE LYS 26 3.371 18.217 6.450 211 HZ1 LYS 26 3HZ LYS 26 4.098 18.793 4.329 212 HZ2 LYS 26 1HZ LYS 26 4.087 20.270 5.156 213 HZ3 LYS 26 2HZ LYS 26 2.839 19.895 4.077 214 H LYS 27 H LYS 27 2.060 18.506 1.401 215 HA LYS 27 HA LYS 27 2.081 17.748 -1.250 216 HB2 LYS 27 1HB LYS 27 3.866 19.569 -1.501 217 HB3 LYS 27 2HB LYS 27 2.317 20.044 -0.814 218 HG2 LYS 27 1HG LYS 27 4.232 19.206 1.206 219 HG3 LYS 27 2HG LYS 27 4.795 20.576 0.246 220 HD2 LYS 27 1HD LYS 27 2.088 20.446 1.568 221 HD3 LYS 27 2HD LYS 27 3.507 21.199 2.301 222 HE2 LYS 27 1HE LYS 27 2.273 21.982 -0.339 223 HE3 LYS 27 2HE LYS 27 2.047 22.836 1.187 224 HZ1 LYS 27 3HZ LYS 27 4.477 22.630 -0.470 225 HZ2 LYS 27 1HZ LYS 27 4.594 22.984 1.180 226 HZ3 LYS 27 2HZ LYS 27 3.729 24.013 0.154 227 H GLY 28 H GLY 28 3.018 15.936 -1.983 228 HA2 GLY 28 1HA GLY 28 5.209 15.216 -2.899 229 HA3 GLY 28 2HA GLY 28 5.860 15.506 -1.293 230 H ASP 29 H ASP 29 2.982 14.316 -0.568 231 HA ASP 29 HA ASP 29 4.022 11.690 -0.015 232 HB2 ASP 29 1HB ASP 29 2.180 13.311 1.216 233 HB3 ASP 29 2HB ASP 29 1.152 12.115 0.432 234 H ILE 30 H ILE 30 2.967 9.703 -0.625 235 HA ILE 30 HA ILE 30 1.554 9.894 -3.205 236 HB ILE 30 HB ILE 30 3.534 7.772 -2.367 237 HG12 ILE 30 1HG1 ILE 30 3.772 9.783 -4.608 238 HG13 ILE 30 2HG1 ILE 30 4.455 10.045 -3.007 239 HG21 ILE 30 1HG2 ILE 30 2.016 8.110 -4.950 240 HG22 ILE 30 2HG2 ILE 30 3.248 6.891 -4.628 241 HG23 ILE 30 3HG2 ILE 30 1.728 6.866 -3.734 242 HD11 ILE 30 3HD1 ILE 30 5.450 8.467 -5.220 243 HD12 ILE 30 1HD1 ILE 30 6.288 9.074 -3.792 244 HD13 ILE 30 2HD1 ILE 30 5.397 7.554 -3.713 245 H LEU 31 H LEU 31 -0.431 9.096 -3.150 246 HA LEU 31 HA LEU 31 -1.052 6.996 -1.178 247 HB2 LEU 31 1HB LEU 31 -3.038 8.945 -2.312 248 HB3 LEU 31 2HB LEU 31 -3.231 7.878 -0.922 249 HG LEU 31 HG LEU 31 -1.217 10.103 -0.904 250 HD11 LEU 31 1HD1 LEU 31 -3.795 10.608 0.404 251 HD12 LEU 31 2HD1 LEU 31 -3.835 10.631 -1.359 252 HD13 LEU 31 3HD1 LEU 31 -2.736 11.701 -0.488 253 HD21 LEU 31 3HD2 LEU 31 -1.366 8.158 0.802 254 HD22 LEU 31 1HD2 LEU 31 -2.776 9.026 1.411 255 HD23 LEU 31 2HD2 LEU 31 -1.197 9.812 1.393 256 H THR 32 H THR 32 -2.728 5.475 -1.792 257 HA THR 32 HA THR 32 -2.592 4.859 -4.652 258 HB THR 32 HB THR 32 -3.556 3.105 -2.385 259 HG1 THR 32 HG1 THR 32 -1.484 2.081 -2.724 260 HG21 THR 32 3HG2 THR 32 -4.055 1.535 -3.905 261 HG22 THR 32 1HG2 THR 32 -2.587 1.844 -4.831 262 HG23 THR 32 2HG2 THR 32 -4.018 2.842 -5.087 263 H LEU 33 H LEU 33 -4.190 5.851 -5.737 264 HA LEU 33 HA LEU 33 -6.672 6.621 -4.758 265 HB2 LEU 33 1HB LEU 33 -5.387 7.043 -7.047 266 HB3 LEU 33 2HB LEU 33 -6.484 5.778 -7.597 267 HG LEU 33 HG LEU 33 -7.454 7.892 -8.131 268 HD11 LEU 33 1HD1 LEU 33 -8.760 6.617 -5.736 269 HD12 LEU 33 2HD1 LEU 33 -9.061 6.268 -7.438 270 HD13 LEU 33 3HD1 LEU 33 -9.537 7.825 -6.760 271 HD21 LEU 33 3HD2 LEU 33 -6.867 9.668 -6.929 272 HD22 LEU 33 1HD2 LEU 33 -6.339 8.662 -5.580 273 HD23 LEU 33 2HD2 LEU 33 -8.031 9.139 -5.714 274 H LEU 34 H LEU 34 -8.164 5.353 -3.878 275 HA LEU 34 HA LEU 34 -8.566 2.654 -4.962 276 HB2 LEU 34 1HB LEU 34 -8.195 3.378 -2.411 277 HB3 LEU 34 2HB LEU 34 -9.950 3.519 -2.493 278 HG LEU 34 HG LEU 34 -8.657 0.998 -3.428 279 HD11 LEU 34 1HD1 LEU 34 -8.554 2.049 -0.703 280 HD12 LEU 34 2HD1 LEU 34 -7.652 0.730 -1.449 281 HD13 LEU 34 3HD1 LEU 34 -9.279 0.446 -0.829 282 HD21 LEU 34 3HD2 LEU 34 -11.260 1.911 -3.167 283 HD22 LEU 34 1HD2 LEU 34 -11.033 0.846 -1.779 284 HD23 LEU 34 2HD2 LEU 34 -10.750 0.240 -3.411 285 H ASN 35 H ASN 35 -10.262 5.639 -4.149 286 HA ASN 35 HA ASN 35 -12.432 4.816 -5.938 287 HB2 ASN 35 1HB ASN 35 -13.317 4.320 -3.761 288 HB3 ASN 35 2HB ASN 35 -12.775 5.870 -3.127 289 HD21 ASN 35 2HD2 ASN 35 -14.690 4.699 -5.880 290 HD22 ASN 35 1HD2 ASN 35 -15.981 5.829 -5.678 291 H SER 36 H SER 36 -12.766 6.319 -7.427 292 HA SER 36 HA SER 36 -12.201 9.129 -6.748 293 HB2 SER 36 1HB SER 36 -10.937 9.455 -8.623 294 HB3 SER 36 2HB SER 36 -10.625 7.731 -8.421 295 HG SER 36 HG SER 36 -12.028 7.274 -10.025 296 H THR 37 H THR 37 -14.689 7.412 -6.898 297 HA THR 37 HA THR 37 -16.280 7.957 -9.078 298 HB THR 37 HB THR 37 -16.972 6.499 -7.210 299 HG1 THR 37 HG1 THR 37 -18.624 7.166 -8.554 300 HG21 THR 37 3HG2 THR 37 -16.238 7.915 -5.351 301 HG22 THR 37 1HG2 THR 37 -17.940 7.485 -5.187 302 HG23 THR 37 2HG2 THR 37 -17.486 9.094 -5.750 303 H ASN 38 H ASN 38 -15.353 10.082 -6.460 304 HA ASN 38 HA ASN 38 -17.144 12.177 -7.445 305 HB2 ASN 38 1HB ASN 38 -15.946 11.526 -4.871 306 HB3 ASN 38 2HB ASN 38 -15.722 13.220 -5.296 307 HD21 ASN 38 2HD2 ASN 38 -17.450 14.580 -5.319 308 HD22 ASN 38 1HD2 ASN 38 -19.030 14.125 -4.790 309 H LYS 39 H LYS 39 -16.072 14.465 -7.249 310 HA LYS 39 HA LYS 39 -13.493 14.347 -8.672 311 HB2 LYS 39 1HB LYS 39 -14.171 16.451 -9.783 312 HB3 LYS 39 2HB LYS 39 -15.254 15.114 -10.148 313 HG2 LYS 39 1HG LYS 39 -15.958 16.888 -7.876 314 HG3 LYS 39 2HG LYS 39 -16.153 17.515 -9.515 315 HD2 LYS 39 1HD LYS 39 -17.312 15.138 -9.850 316 HD3 LYS 39 2HD LYS 39 -17.607 15.336 -8.121 317 HE2 LYS 39 1HE LYS 39 -18.592 17.568 -8.611 318 HE3 LYS 39 2HE LYS 39 -18.413 17.224 -10.331 319 HZ1 LYS 39 3HZ LYS 39 -20.656 16.751 -9.371 320 HZ2 LYS 39 1HZ LYS 39 -19.955 15.489 -8.488 321 HZ3 LYS 39 2HZ LYS 39 -19.943 15.447 -10.178 322 H ASP 40 H ASP 40 -15.262 15.665 -6.029 323 HA ASP 40 HA ASP 40 -13.167 17.626 -5.451 324 HB2 ASP 40 1HB ASP 40 -15.805 17.152 -4.045 325 HB3 ASP 40 2HB ASP 40 -14.689 18.479 -3.735 326 H TRP 41 H TRP 41 -14.879 14.937 -3.871 327 HA TRP 41 HA TRP 41 -12.686 14.760 -1.924 328 HB2 TRP 41 1HB TRP 41 -15.531 13.762 -1.876 329 HB3 TRP 41 2HB TRP 41 -14.324 13.207 -0.720 330 HD1 TRP 41 HD1 TRP 41 -16.792 15.920 -1.268 331 HE1 TRP 41 HE1 TRP 41 -16.531 17.743 0.530 332 HE3 TRP 41 HE3 TRP 41 -12.304 14.475 0.708 333 HZ2 TRP 41 HZ2 TRP 41 -14.669 18.473 2.522 334 HZ3 TRP 41 HZ3 TRP 41 -11.351 15.790 2.557 335 HH2 TRP 41 HH2 TRP 41 -12.511 17.747 3.443 336 H TRP 42 H TRP 42 -11.133 13.408 -2.544 337 HA TRP 42 HA TRP 42 -11.868 10.975 -4.017 338 HB2 TRP 42 1HB TRP 42 -9.436 12.692 -3.932 339 HB3 TRP 42 2HB TRP 42 -9.206 10.970 -4.220 340 HD1 TRP 42 HD1 TRP 42 -12.412 12.076 -5.702 341 HE1 TRP 42 HE1 TRP 42 -12.167 12.385 -8.245 342 HE3 TRP 42 HE3 TRP 42 -7.315 11.897 -6.055 343 HZ2 TRP 42 HZ2 TRP 42 -10.089 12.533 -10.150 344 HZ3 TRP 42 HZ3 TRP 42 -6.277 12.130 -8.274 345 HH2 TRP 42 HH2 TRP 42 -7.638 12.441 -10.278 346 H LYS 43 H LYS 43 -11.456 8.975 -3.229 347 HA LYS 43 HA LYS 43 -10.394 8.835 -0.490 348 HB2 LYS 43 1HB LYS 43 -12.421 7.840 -0.239 349 HB3 LYS 43 2HB LYS 43 -12.535 7.403 -1.938 350 HG2 LYS 43 1HG LYS 43 -11.366 5.429 -1.646 351 HG3 LYS 43 2HG LYS 43 -10.614 5.979 -0.147 352 HD2 LYS 43 1HD LYS 43 -12.176 4.630 0.783 353 HD3 LYS 43 2HD LYS 43 -13.194 6.059 0.591 354 HE2 LYS 43 1HE LYS 43 -14.362 5.160 -1.154 355 HE3 LYS 43 2HE LYS 43 -13.006 4.171 -1.694 356 HZ1 LYS 43 3HZ LYS 43 -15.121 3.180 -0.441 357 HZ2 LYS 43 1HZ LYS 43 -14.135 3.493 0.898 358 HZ3 LYS 43 2HZ LYS 43 -13.583 2.483 -0.341 359 H VAL 44 H VAL 44 -8.355 8.186 -0.365 360 HA VAL 44 HA VAL 44 -7.371 6.236 -2.345 361 HB VAL 44 HB VAL 44 -5.074 7.084 -1.632 362 HG11 VAL 44 1HG1 VAL 44 -5.452 7.818 -3.726 363 HG12 VAL 44 2HG1 VAL 44 -7.074 8.397 -3.343 364 HG13 VAL 44 3HG1 VAL 44 -5.667 9.380 -2.936 365 HG21 VAL 44 3HG2 VAL 44 -6.538 8.462 0.259 366 HG22 VAL 44 1HG2 VAL 44 -4.850 8.750 -0.164 367 HG23 VAL 44 2HG2 VAL 44 -6.126 9.701 -0.927 368 H GLU 45 H GLU 45 -5.232 5.173 -1.296 369 HA GLU 45 HA GLU 45 -5.984 4.183 1.373 370 HB2 GLU 45 1HB GLU 45 -6.496 2.585 -0.540 371 HB3 GLU 45 2HB GLU 45 -4.758 2.457 -0.774 372 HG2 GLU 45 1HG GLU 45 -4.589 1.726 1.619 373 HG3 GLU 45 2HG GLU 45 -6.349 1.639 1.639 374 H VAL 46 H VAL 46 -4.338 3.829 2.810 375 HA VAL 46 HA VAL 46 -1.622 4.517 1.888 376 HB VAL 46 HB VAL 46 -1.195 5.486 4.112 377 HG11 VAL 46 1HG1 VAL 46 -2.029 6.834 2.150 378 HG12 VAL 46 2HG1 VAL 46 -3.628 6.772 2.893 379 HG13 VAL 46 3HG1 VAL 46 -2.291 7.553 3.738 380 HG21 VAL 46 3HG2 VAL 46 -3.001 4.106 5.235 381 HG22 VAL 46 1HG2 VAL 46 -2.883 5.794 5.735 382 HG23 VAL 46 2HG2 VAL 46 -4.154 5.290 4.620 383 H LYS 47 H LYS 47 0.122 3.644 3.262 384 HA LYS 47 HA LYS 47 -0.627 1.051 4.447 385 HB2 LYS 47 1HB LYS 47 0.649 1.074 2.193 386 HB3 LYS 47 2HB LYS 47 2.039 1.561 3.155 387 HG2 LYS 47 1HG LYS 47 2.346 -0.691 3.141 388 HG3 LYS 47 2HG LYS 47 1.351 -0.538 4.591 389 HD2 LYS 47 1HD LYS 47 -0.477 -1.481 3.602 390 HD3 LYS 47 2HD LYS 47 -0.047 -0.890 1.995 391 HE2 LYS 47 1HE LYS 47 1.717 -2.919 3.263 392 HE3 LYS 47 2HE LYS 47 0.152 -3.450 2.650 393 HZ1 LYS 47 3HZ LYS 47 0.933 -3.399 0.592 394 HZ2 LYS 47 1HZ LYS 47 2.473 -3.047 1.201 395 HZ3 LYS 47 2HZ LYS 47 1.433 -1.790 0.752 396 H ILE 48 H ILE 48 -0.357 1.127 6.574 397 HA ILE 48 HA ILE 48 1.906 2.675 7.652 398 HB ILE 48 HB ILE 48 -0.675 1.922 9.028 399 HG12 ILE 48 1HG1 ILE 48 -0.671 4.597 9.055 400 HG13 ILE 48 2HG1 ILE 48 0.267 4.350 7.587 401 HG21 ILE 48 1HG2 ILE 48 1.724 3.474 9.980 402 HG22 ILE 48 2HG2 ILE 48 0.165 3.471 10.804 403 HG23 ILE 48 3HG2 ILE 48 1.080 1.972 10.644 404 HD11 ILE 48 3HD1 ILE 48 -2.356 2.972 7.994 405 HD12 ILE 48 1HD1 ILE 48 -2.269 4.625 7.388 406 HD13 ILE 48 2HD1 ILE 48 -1.500 3.315 6.491 407 H THR 49 H THR 49 3.495 1.579 8.587 408 HA THR 49 HA THR 49 3.150 -1.273 9.090 409 HB THR 49 HB THR 49 5.669 0.396 9.214 410 HG1 THR 49 HG1 THR 49 5.133 -1.461 7.177 411 HG21 THR 49 3HG2 THR 49 6.833 -1.750 9.132 412 HG22 THR 49 1HG2 THR 49 5.289 -2.600 9.137 413 HG23 THR 49 2HG2 THR 49 5.784 -1.663 10.547 414 H VAL 50 H VAL 50 2.549 -1.921 11.042 415 HA VAL 50 HA VAL 50 3.597 -0.479 13.388 416 HB VAL 50 HB VAL 50 0.827 -1.660 13.127 417 HG11 VAL 50 1HG1 VAL 50 0.429 -0.721 15.341 418 HG12 VAL 50 2HG1 VAL 50 1.757 -1.883 15.382 419 HG13 VAL 50 3HG1 VAL 50 2.097 -0.152 15.411 420 HG21 VAL 50 3HG2 VAL 50 1.888 0.944 12.489 421 HG22 VAL 50 1HG2 VAL 50 0.271 0.293 12.220 422 HG23 VAL 50 2HG2 VAL 50 0.671 1.054 13.760 423 H ASN 51 H ASN 51 4.640 -1.719 14.806 424 HA ASN 51 HA ASN 51 5.564 -3.550 15.791 425 HB2 ASN 51 1HB ASN 51 2.747 -4.540 15.333 426 HB3 ASN 51 2HB ASN 51 3.949 -5.458 16.236 427 HD21 ASN 51 2HD2 ASN 51 5.136 -3.946 17.894 428 HD22 ASN 51 1HD2 ASN 51 4.070 -3.040 18.908 429 H GLY 52 H GLY 52 6.007 -3.263 12.993 430 HA2 GLY 52 1HA GLY 52 7.082 -4.471 11.353 431 HA3 GLY 52 2HA GLY 52 7.004 -5.872 12.411 432 H LYS 53 H LYS 53 4.041 -4.275 11.717 433 HA LYS 53 HA LYS 53 3.385 -6.316 9.698 434 HB2 LYS 53 1HB LYS 53 1.609 -5.346 11.945 435 HB3 LYS 53 2HB LYS 53 1.115 -6.447 10.666 436 HG2 LYS 53 1HG LYS 53 3.039 -7.937 11.485 437 HG3 LYS 53 2HG LYS 53 3.010 -6.928 12.933 438 HD2 LYS 53 1HD LYS 53 0.471 -7.435 12.943 439 HD3 LYS 53 2HD LYS 53 0.897 -8.765 11.864 440 HE2 LYS 53 1HE LYS 53 2.283 -9.768 13.500 441 HE3 LYS 53 2HE LYS 53 2.245 -8.329 14.518 442 HZ1 LYS 53 3HZ LYS 53 -0.156 -9.958 13.903 443 HZ2 LYS 53 1HZ LYS 53 -0.017 -8.724 15.052 444 HZ3 LYS 53 2HZ LYS 53 0.800 -10.187 15.281 445 H THR 54 H THR 54 2.819 -5.431 7.834 446 HA THR 54 HA THR 54 2.258 -2.631 7.604 447 HB THR 54 HB THR 54 1.622 -3.575 5.152 448 HG1 THR 54 HG1 THR 54 2.021 -5.674 5.244 449 HG21 THR 54 3HG2 THR 54 3.334 -1.924 5.567 450 HG22 THR 54 1HG2 THR 54 4.007 -3.204 4.560 451 HG23 THR 54 2HG2 THR 54 4.389 -3.143 6.280 452 H TYR 55 H TYR 55 0.347 -1.640 7.616 453 HA TYR 55 HA TYR 55 -2.079 -3.292 7.338 454 HB2 TYR 55 1HB TYR 55 -1.595 -0.892 9.109 455 HB3 TYR 55 2HB TYR 55 -3.181 -1.604 8.836 456 HD1 TYR 55 HD1 TYR 55 -3.664 -3.895 9.660 457 HD2 TYR 55 HD2 TYR 55 -0.027 -1.897 10.600 458 HE1 TYR 55 HE1 TYR 55 -3.267 -5.491 11.489 459 HE2 TYR 55 HE2 TYR 55 0.380 -3.487 12.432 460 HH TYR 55 HH TYR 55 -2.036 -5.769 13.455 461 H GLU 56 H GLU 56 -3.853 -2.393 6.250 462 HA GLU 56 HA GLU 56 -3.217 -0.022 4.617 463 HB2 GLU 56 1HB GLU 56 -4.488 -2.631 3.897 464 HB3 GLU 56 2HB GLU 56 -4.968 -1.182 3.026 465 HG2 GLU 56 1HG GLU 56 -2.535 -0.795 2.540 466 HG3 GLU 56 2HG GLU 56 -2.229 -2.402 3.195 467 H ARG 57 H ARG 57 -4.736 1.557 4.424 468 HA ARG 57 HA ARG 57 -7.435 1.122 5.407 469 HB2 ARG 57 1HB ARG 57 -7.397 2.801 7.084 470 HB3 ARG 57 2HB ARG 57 -6.001 1.774 7.386 471 HG2 ARG 57 1HG ARG 57 -4.548 3.415 6.322 472 HG3 ARG 57 2HG ARG 57 -5.945 4.441 5.988 473 HD2 ARG 57 1HD ARG 57 -6.372 4.470 8.471 474 HD3 ARG 57 2HD ARG 57 -4.803 3.690 8.671 475 HE ARG 57 HE ARG 57 -4.195 5.853 7.189 476 HH11 ARG 57 1HH1 ARG 57 -6.018 5.447 10.127 477 HH12 ARG 57 2HH1 ARG 57 -5.616 7.014 10.747 478 HH21 ARG 57 1HH2 ARG 57 -3.658 7.918 7.995 479 HH22 ARG 57 2HH2 ARG 57 -4.274 8.419 9.533 480 H GLN 58 H GLN 58 -8.928 2.573 4.593 481 HA GLN 58 HA GLN 58 -7.960 4.208 2.377 482 HB2 GLN 58 1HB GLN 58 -10.808 3.533 3.125 483 HB3 GLN 58 2HB GLN 58 -10.258 4.250 1.616 484 HG2 GLN 58 1HG GLN 58 -8.858 2.095 1.373 485 HG3 GLN 58 2HG GLN 58 -9.951 1.443 2.592 486 HE21 GLN 58 2HE2 GLN 58 -10.382 3.566 -0.219 487 HE22 GLN 58 1HE2 GLN 58 -11.626 2.621 -0.957 488 H GLY 59 H GLY 59 -8.128 6.389 2.279 489 HA2 GLY 59 1HA GLY 59 -9.545 7.756 4.471 490 HA3 GLY 59 2HA GLY 59 -7.880 8.179 4.101 491 H PHE 60 H PHE 60 -10.540 9.645 3.957 492 HA PHE 60 HA PHE 60 -10.739 10.262 1.125 493 HB2 PHE 60 1HB PHE 60 -12.220 11.545 3.426 494 HB3 PHE 60 2HB PHE 60 -12.644 11.613 1.718 495 HD1 PHE 60 HD1 PHE 60 -13.549 9.631 0.586 496 HD2 PHE 60 HD2 PHE 60 -12.787 9.666 4.773 497 HE1 PHE 60 HE1 PHE 60 -14.964 7.637 0.856 498 HE2 PHE 60 HE2 PHE 60 -14.200 7.671 5.050 499 HZ PHE 60 HZ PHE 60 -15.291 6.653 3.090 500 H VAL 61 H VAL 61 -10.144 12.167 0.169 501 HA VAL 61 HA VAL 61 -9.119 14.363 1.752 502 HB VAL 61 HB VAL 61 -6.954 14.357 0.373 503 HG11 VAL 61 1HG1 VAL 61 -6.825 12.065 2.226 504 HG12 VAL 61 2HG1 VAL 61 -5.877 13.554 2.190 505 HG13 VAL 61 3HG1 VAL 61 -7.500 13.557 2.881 506 HG21 VAL 61 3HG2 VAL 61 -7.221 11.397 0.285 507 HG22 VAL 61 1HG2 VAL 61 -7.989 12.343 -0.990 508 HG23 VAL 61 2HG2 VAL 61 -6.252 12.475 -0.718 509 HA PRO 62 HA PRO 62 -10.529 16.754 -1.649 510 HB2 PRO 62 1HB PRO 62 -8.829 18.869 -1.569 511 HB3 PRO 62 2HB PRO 62 -10.104 18.615 -0.371 512 HG2 PRO 62 1HG PRO 62 -7.183 17.985 -0.190 513 HG3 PRO 62 2HG PRO 62 -8.249 18.712 1.027 514 HD2 PRO 62 1HD PRO 62 -7.545 16.098 1.082 515 HD3 PRO 62 2HD PRO 62 -9.120 16.676 1.664 516 H ALA 63 H ALA 63 -10.239 15.955 -3.646 517 HA ALA 63 HA ALA 63 -7.787 15.174 -4.767 518 HB1 ALA 63 1HB ALA 63 -10.081 16.023 -6.483 519 HB2 ALA 63 2HB ALA 63 -8.967 14.672 -6.688 520 HB3 ALA 63 3HB ALA 63 -10.225 14.597 -5.455 521 H ALA 64 H ALA 64 -9.395 18.254 -4.631 522 HA ALA 64 HA ALA 64 -8.045 19.533 -6.758 523 HB1 ALA 64 1HB ALA 64 -8.893 21.570 -5.890 524 HB2 ALA 64 2HB ALA 64 -10.125 20.343 -5.591 525 HB3 ALA 64 3HB ALA 64 -9.081 20.883 -4.276 526 H TYR 65 H TYR 65 -6.950 18.458 -3.742 527 HA TYR 65 HA TYR 65 -4.711 20.359 -3.722 528 HB2 TYR 65 1HB TYR 65 -6.010 18.663 -1.635 529 HB3 TYR 65 2HB TYR 65 -4.308 19.067 -1.447 530 HD1 TYR 65 HD1 TYR 65 -7.024 21.177 -2.860 531 HD2 TYR 65 HD2 TYR 65 -4.311 20.557 0.358 532 HE1 TYR 65 HE1 TYR 65 -7.653 23.361 -1.918 533 HE2 TYR 65 HE2 TYR 65 -4.933 22.738 1.310 534 HH TYR 65 HH TYR 65 -7.629 24.431 0.423 535 H VAL 66 H VAL 66 -5.443 17.427 -4.979 536 HA VAL 66 HA VAL 66 -2.621 16.611 -4.972 537 HB VAL 66 HB VAL 66 -3.180 14.280 -4.734 538 HG11 VAL 66 1HG1 VAL 66 -4.790 15.427 -2.522 539 HG12 VAL 66 2HG1 VAL 66 -3.448 14.283 -2.473 540 HG13 VAL 66 3HG1 VAL 66 -3.134 16.002 -2.714 541 HG21 VAL 66 3HG2 VAL 66 -5.848 14.219 -3.915 542 HG22 VAL 66 1HG2 VAL 66 -5.832 15.208 -5.375 543 HG23 VAL 66 2HG2 VAL 66 -5.178 13.571 -5.412 544 H LYS 67 H LYS 67 -2.420 14.687 -6.656 545 HA LYS 67 HA LYS 67 -4.137 15.070 -8.972 546 HB2 LYS 67 1HB LYS 67 -1.189 15.720 -8.968 547 HB3 LYS 67 2HB LYS 67 -2.096 15.403 -10.441 548 HG2 LYS 67 1HG LYS 67 -2.831 17.558 -8.477 549 HG3 LYS 67 2HG LYS 67 -1.780 17.819 -9.872 550 HD2 LYS 67 1HD LYS 67 -4.544 16.658 -10.122 551 HD3 LYS 67 2HD LYS 67 -4.238 18.395 -10.169 552 HE2 LYS 67 1HE LYS 67 -2.654 16.605 -11.948 553 HE3 LYS 67 2HE LYS 67 -4.326 16.962 -12.377 554 HZ1 LYS 67 3HZ LYS 67 -2.239 18.493 -13.053 555 HZ2 LYS 67 1HZ LYS 67 -2.739 19.263 -11.632 556 HZ3 LYS 67 2HZ LYS 67 -3.825 19.065 -12.914 557 H LYS 68 H LYS 68 -3.384 13.584 -10.806 558 HA LYS 68 HA LYS 68 -2.809 10.978 -9.623 559 HB2 LYS 68 1HB LYS 68 -4.779 11.322 -11.139 560 HB3 LYS 68 2HB LYS 68 -3.650 11.618 -12.454 561 HG2 LYS 68 1HG LYS 68 -2.942 9.416 -12.517 562 HG3 LYS 68 2HG LYS 68 -3.489 9.088 -10.872 563 HD2 LYS 68 1HD LYS 68 -5.074 8.002 -12.183 564 HD3 LYS 68 2HD LYS 68 -5.852 9.543 -11.811 565 HE2 LYS 68 1HE LYS 68 -4.214 9.233 -14.296 566 HE3 LYS 68 2HE LYS 68 -5.876 8.647 -14.249 567 HZ1 LYS 68 3HZ LYS 68 -6.135 11.113 -13.231 568 HZ2 LYS 68 1HZ LYS 68 -6.359 10.730 -14.863 569 HZ3 LYS 68 2HZ LYS 68 -4.879 11.357 -14.338 570 H LEU 69 H LEU 69 -1.051 9.752 -10.100 571 HA LEU 69 HA LEU 69 1.312 10.983 -10.943 572 HB2 LEU 69 1HB LEU 69 0.796 8.733 -9.641 573 HB3 LEU 69 2HB LEU 69 1.017 8.042 -11.248 574 HG LEU 69 HG LEU 69 3.066 7.903 -9.950 575 HD11 LEU 69 1HD1 LEU 69 3.628 10.047 -11.943 576 HD12 LEU 69 2HD1 LEU 69 2.946 8.515 -12.489 577 HD13 LEU 69 3HD1 LEU 69 4.488 8.538 -11.635 578 HD21 LEU 69 3HD2 LEU 69 3.684 10.747 -9.966 579 HD22 LEU 69 1HD2 LEU 69 3.878 9.551 -8.684 580 HD23 LEU 69 2HD2 LEU 69 2.321 10.344 -8.921 581 H ASP 70 H ASP 70 -0.804 8.710 -12.679 582 HA ASP 70 HA ASP 70 0.674 9.189 -15.146 583 HB2 ASP 70 1HB ASP 70 -0.322 6.905 -14.234 584 HB3 ASP 70 2HB ASP 70 -1.769 7.477 -15.061
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