NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
542008 | 2lso | 18438 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H1 SER 1 19.866 7.612 -8.604 2 H2 SER 1 H2 SER 1 19.283 7.658 -7.018 3 H3 SER 1 H3 SER 1 18.807 8.842 -8.128 4 HA SER 1 HA SER 1 18.183 5.952 -8.300 5 HB2 SER 1 HB2 SER 1 16.367 8.297 -7.579 6 HB3 SER 1 HB3 SER 1 15.837 6.629 -7.779 7 HG SER 1 HG SER 1 16.222 7.276 -5.571 8 H HIS 2 H HIS 2 18.672 5.715 -10.533 9 HA HIS 2 HA HIS 2 17.304 7.506 -12.450 10 HB2 HIS 2 HB2 HIS 2 18.656 6.377 -14.205 11 HB3 HIS 2 HB3 HIS 2 19.642 7.107 -12.950 12 HD1 HIS 2 HD1 HIS 2 21.542 5.703 -12.290 13 HD2 HIS 2 HD2 HIS 2 18.373 3.383 -13.634 14 HE1 HIS 2 HE1 HIS 2 22.380 3.340 -12.255 15 HE2 HIS 2 HE2 HIS 2 20.401 1.948 -12.915 16 H MET 3 H MET 3 16.795 4.463 -10.970 17 HA MET 3 HA MET 3 14.411 3.984 -12.568 18 HB2 MET 3 HB2 MET 3 16.195 2.819 -13.866 19 HB3 MET 3 HB3 MET 3 16.601 1.857 -12.448 20 HG2 MET 3 HG2 MET 3 15.228 0.582 -14.012 21 HG3 MET 3 HG3 MET 3 14.360 0.841 -12.497 22 HE1 MET 3 HE1 MET 3 11.431 0.922 -15.093 23 HE2 MET 3 HE2 MET 3 12.035 0.200 -13.603 24 HE3 MET 3 HE3 MET 3 12.850 -0.122 -15.134 25 H GLN 4 H GLN 4 13.145 4.162 -10.765 26 HA GLN 4 HA GLN 4 13.292 1.964 -8.774 27 HB2 GLN 4 HB2 GLN 4 12.017 4.730 -8.469 28 HB3 GLN 4 HB3 GLN 4 11.852 3.425 -7.296 29 HG2 GLN 4 HG2 GLN 4 14.312 3.479 -6.933 30 HG3 GLN 4 HG3 GLN 4 14.433 4.843 -8.047 31 HE21 GLN 4 HE21 GLN 4 15.120 4.678 -5.187 32 HE22 GLN 4 HE22 GLN 4 14.198 5.907 -4.397 33 HA PRO 5 HA PRO 5 9.328 0.734 -10.635 34 HB2 PRO 5 HB2 PRO 5 8.631 -1.283 -8.999 35 HB3 PRO 5 HB3 PRO 5 10.066 -1.408 -10.029 36 HG2 PRO 5 HG2 PRO 5 9.893 -0.704 -7.093 37 HG3 PRO 5 HG3 PRO 5 11.003 -1.833 -7.898 38 HD2 PRO 5 HD2 PRO 5 11.678 0.769 -7.239 39 HD3 PRO 5 HD3 PRO 5 12.435 -0.132 -8.572 40 H GLY 6 H GLY 6 9.329 3.035 -8.683 41 HA2 GLY 6 HA2 GLY 6 7.608 4.370 -7.854 42 HA3 GLY 6 HA3 GLY 6 6.539 2.977 -7.818 43 H LYS 7 H LYS 7 8.477 5.026 -5.951 44 HA LYS 7 HA LYS 7 9.269 3.378 -3.809 45 HB2 LYS 7 HB2 LYS 7 9.446 5.501 -2.492 46 HB3 LYS 7 HB3 LYS 7 10.265 5.543 -4.048 47 HG2 LYS 7 HG2 LYS 7 8.411 6.849 -5.009 48 HG3 LYS 7 HG3 LYS 7 7.554 6.785 -3.465 49 HD2 LYS 7 HD2 LYS 7 8.679 8.955 -3.734 50 HD3 LYS 7 HD3 LYS 7 9.382 8.059 -2.387 51 HE2 LYS 7 HE2 LYS 7 11.146 9.142 -3.702 52 HE3 LYS 7 HE3 LYS 7 11.288 7.391 -3.842 53 HZ1 LYS 7 HZ1 LYS 7 11.578 8.562 -5.959 54 HZ2 LYS 7 HZ2 LYS 7 9.995 9.149 -5.852 55 HZ3 LYS 7 HZ3 LYS 7 10.273 7.490 -5.997 56 H TYR 8 H TYR 8 6.116 4.657 -4.583 57 HA TYR 8 HA TYR 8 4.865 4.277 -2.040 58 HB2 TYR 8 HB2 TYR 8 3.731 4.450 -4.857 59 HB3 TYR 8 HB3 TYR 8 2.718 4.295 -3.423 60 HD1 TYR 8 HD2 TYR 8 4.965 6.572 -5.300 61 HD2 TYR 8 HD1 TYR 8 2.455 6.182 -1.852 62 HE1 TYR 8 HE2 TYR 8 5.006 9.018 -4.975 63 HE2 TYR 8 HE1 TYR 8 2.504 8.615 -1.534 64 HH TYR 8 HH TYR 8 3.580 10.778 -3.872 65 H SER 9 H SER 9 5.350 2.124 -4.885 66 HA SER 9 HA SER 9 3.735 -0.032 -3.887 67 HB2 SER 9 HB2 SER 9 4.660 -1.386 -5.670 68 HB3 SER 9 HB3 SER 9 4.415 0.237 -6.311 69 HG SER 9 HG SER 9 6.454 0.305 -6.729 70 H GLN 10 H GLN 10 7.176 0.733 -3.688 71 HA GLN 10 HA GLN 10 8.060 -1.591 -2.302 72 HB2 GLN 10 HB2 GLN 10 9.256 1.209 -2.180 73 HB3 GLN 10 HB3 GLN 10 10.084 -0.299 -1.791 74 HG2 GLN 10 HG2 GLN 10 9.124 0.601 -4.532 75 HG3 GLN 10 HG3 GLN 10 10.794 0.515 -3.973 76 HE21 GLN 10 HE21 GLN 10 8.046 -1.302 -5.095 77 HE22 GLN 10 HE22 GLN 10 8.874 -2.795 -5.351 78 H LEU 11 H LEU 11 6.840 1.542 -1.238 79 HA LEU 11 HA LEU 11 7.050 1.233 1.550 80 HB2 LEU 11 HB2 LEU 11 6.580 3.390 0.444 81 HB3 LEU 11 HB3 LEU 11 5.011 2.798 -0.073 82 HG LEU 11 HG LEU 11 4.299 2.662 2.339 83 HD11 LEU 11 HD11 LEU 11 6.949 4.022 2.926 84 HD12 LEU 11 HD12 LEU 11 6.480 2.386 3.404 85 HD13 LEU 11 HD13 LEU 11 5.630 3.774 4.075 86 HD21 LEU 11 HD21 LEU 11 3.999 5.075 2.660 87 HD22 LEU 11 HD22 LEU 11 3.722 4.618 0.981 88 HD23 LEU 11 HD23 LEU 11 5.233 5.406 1.441 89 H VAL 12 H VAL 12 4.358 0.383 -0.684 90 HA VAL 12 HA VAL 12 2.472 -0.556 1.178 91 HB VAL 12 HB VAL 12 2.912 -1.399 -1.722 92 HG11 VAL 12 HG11 VAL 12 0.642 -2.410 -1.654 93 HG12 VAL 12 HG12 VAL 12 0.563 -2.123 0.084 94 HG13 VAL 12 HG13 VAL 12 1.755 -3.249 -0.572 95 HG21 VAL 12 HG21 VAL 12 0.819 0.430 -0.470 96 HG22 VAL 12 HG22 VAL 12 0.940 0.021 -2.184 97 HG23 VAL 12 HG23 VAL 12 2.217 0.957 -1.408 98 H VAL 13 H VAL 13 4.906 -2.443 -0.643 99 HA VAL 13 HA VAL 13 4.463 -4.995 0.351 100 HB VAL 13 HB VAL 13 7.091 -3.681 -0.480 101 HG11 VAL 13 HG11 VAL 13 6.594 -6.642 0.059 102 HG12 VAL 13 HG12 VAL 13 7.657 -5.573 0.987 103 HG13 VAL 13 HG13 VAL 13 8.052 -5.976 -0.689 104 HG21 VAL 13 HG21 VAL 13 5.406 -3.862 -2.286 105 HG22 VAL 13 HG22 VAL 13 5.248 -5.595 -1.982 106 HG23 VAL 13 HG23 VAL 13 6.769 -4.942 -2.597 107 H GLU 14 H GLU 14 6.706 -2.543 1.660 108 HA GLU 14 HA GLU 14 7.498 -4.094 3.884 109 HB2 GLU 14 HB2 GLU 14 8.815 -2.203 2.776 110 HB3 GLU 14 HB3 GLU 14 7.756 -1.077 3.625 111 HG2 GLU 14 HG2 GLU 14 8.470 -2.131 5.769 112 HG3 GLU 14 HG3 GLU 14 9.600 -3.123 4.864 113 H THR 15 H THR 15 4.887 -1.758 3.398 114 HA THR 15 HA THR 15 4.230 -1.148 6.087 115 HB THR 15 HB THR 15 2.612 -1.070 3.516 116 HG1 THR 15 HG1 THR 15 3.560 0.804 3.473 117 HG21 THR 15 HG21 THR 15 1.582 -0.259 6.255 118 HG22 THR 15 HG22 THR 15 0.928 -1.533 5.223 119 HG23 THR 15 HG23 THR 15 0.813 0.155 4.722 120 H ILE 16 H ILE 16 2.908 -3.608 3.862 121 HA ILE 16 HA ILE 16 1.174 -4.868 5.752 122 HB ILE 16 HB ILE 16 2.371 -6.047 3.197 123 HG12 ILE 16 HG12 ILE 16 -0.300 -4.606 3.589 124 HG13 ILE 16 HG13 ILE 16 1.110 -3.905 2.804 125 HG21 ILE 16 HG21 ILE 16 0.451 -7.604 3.234 126 HG22 ILE 16 HG22 ILE 16 -0.103 -6.905 4.756 127 HG23 ILE 16 HG23 ILE 16 1.427 -7.781 4.694 128 HD11 ILE 16 HD11 ILE 16 0.938 -5.602 1.027 129 HD12 ILE 16 HD12 ILE 16 -0.521 -4.622 1.174 130 HD13 ILE 16 HD13 ILE 16 -0.498 -6.264 1.815 131 H ARG 17 H ARG 17 4.558 -5.283 4.887 132 HA ARG 17 HA ARG 17 5.125 -7.662 6.340 133 HB2 ARG 17 HB2 ARG 17 6.576 -6.724 4.562 134 HB3 ARG 17 HB3 ARG 17 6.958 -5.347 5.582 135 HG2 ARG 17 HG2 ARG 17 8.133 -6.835 7.166 136 HG3 ARG 17 HG3 ARG 17 7.707 -8.233 6.170 137 HD2 ARG 17 HD2 ARG 17 8.998 -7.276 4.281 138 HD3 ARG 17 HD3 ARG 17 9.432 -5.890 5.286 139 HE ARG 17 HE ARG 17 10.669 -7.452 6.732 140 HH11 ARG 17 HH11 ARG 17 9.936 -8.581 3.533 141 HH12 ARG 17 HH12 ARG 17 11.261 -9.688 3.513 142 HH21 ARG 17 HH21 ARG 17 12.349 -8.863 6.668 143 HH22 ARG 17 HH22 ARG 17 12.617 -9.835 5.261 144 H ARG 18 H ARG 18 5.090 -4.206 7.285 145 HA ARG 18 HA ARG 18 6.236 -4.417 9.880 146 HB2 ARG 18 HB2 ARG 18 4.179 -2.406 8.854 147 HB3 ARG 18 HB3 ARG 18 5.055 -2.247 10.371 148 HG2 ARG 18 HG2 ARG 18 6.303 -2.206 7.606 149 HG3 ARG 18 HG3 ARG 18 5.946 -0.794 8.593 150 HD2 ARG 18 HD2 ARG 18 7.545 -1.597 10.302 151 HD3 ARG 18 HD3 ARG 18 7.915 -3.000 9.293 152 HE ARG 18 HE ARG 18 8.571 -1.158 7.572 153 HH11 ARG 18 HH11 ARG 18 9.107 -0.867 10.984 154 HH12 ARG 18 HH12 ARG 18 10.539 0.076 10.763 155 HH21 ARG 18 HH21 ARG 18 10.403 0.052 7.348 156 HH22 ARG 18 HH22 ARG 18 11.258 0.586 8.755 157 H LEU 19 H LEU 19 2.871 -4.543 8.750 158 HA LEU 19 HA LEU 19 1.705 -5.001 11.362 159 HB2 LEU 19 HB2 LEU 19 0.486 -5.205 8.578 160 HB3 LEU 19 HB3 LEU 19 -0.418 -5.259 10.085 161 HG LEU 19 HG LEU 19 1.137 -2.850 9.053 162 HD11 LEU 19 HD11 LEU 19 -1.867 -3.312 9.184 163 HD12 LEU 19 HD12 LEU 19 -0.879 -3.283 7.722 164 HD13 LEU 19 HD13 LEU 19 -1.065 -1.819 8.682 165 HD21 LEU 19 HD21 LEU 19 -0.616 -3.124 11.525 166 HD22 LEU 19 HD22 LEU 19 0.085 -1.616 10.923 167 HD23 LEU 19 HD23 LEU 19 1.137 -2.905 11.501 168 H GLY 20 H GLY 20 2.864 -7.027 8.746 169 HA2 GLY 20 HA2 GLY 20 3.047 -9.350 8.579 170 HA3 GLY 20 HA3 GLY 20 2.110 -9.532 10.053 171 H GLU 21 H GLU 21 -0.221 -8.934 9.863 172 HA GLU 21 HA GLU 21 -2.285 -9.438 9.129 173 HB2 GLU 21 HB2 GLU 21 -1.232 -7.996 6.666 174 HB3 GLU 21 HB3 GLU 21 -2.943 -8.307 6.977 175 HG2 GLU 21 HG2 GLU 21 -1.162 -6.758 8.876 176 HG3 GLU 21 HG3 GLU 21 -2.073 -5.988 7.583 177 H ARG 22 H ARG 22 -1.857 -11.741 9.214 178 HA ARG 22 HA ARG 22 -1.298 -13.324 6.919 179 HB2 ARG 22 HB2 ARG 22 -2.039 -15.233 8.341 180 HB3 ARG 22 HB3 ARG 22 -0.881 -14.186 9.138 181 HG2 ARG 22 HG2 ARG 22 -2.372 -14.578 10.877 182 HG3 ARG 22 HG3 ARG 22 -3.016 -13.068 10.235 183 HD2 ARG 22 HD2 ARG 22 -4.692 -14.421 8.936 184 HD3 ARG 22 HD3 ARG 22 -4.076 -15.874 9.735 185 HE ARG 22 HE ARG 22 -4.793 -13.998 11.700 186 HH11 ARG 22 HH11 ARG 22 -6.372 -16.039 9.379 187 HH12 ARG 22 HH12 ARG 22 -7.830 -16.112 10.303 188 HH21 ARG 22 HH21 ARG 22 -6.663 -14.108 12.830 189 HH22 ARG 22 HH22 ARG 22 -7.987 -15.036 12.223 190 H ASN 23 H ASN 23 -4.219 -11.877 8.111 191 HA ASN 23 HA ASN 23 -5.985 -13.514 6.422 192 HB2 ASN 23 HB2 ASN 23 -6.419 -12.705 8.918 193 HB3 ASN 23 HB3 ASN 23 -6.952 -11.214 8.154 194 HD21 ASN 23 HD21 ASN 23 -8.570 -12.950 9.718 195 HD22 ASN 23 HD22 ASN 23 -9.825 -13.561 8.704 196 H GLY 24 H GLY 24 -4.434 -10.401 6.440 197 HA2 GLY 24 HA2 GLY 24 -4.202 -9.215 4.318 198 HA3 GLY 24 HA3 GLY 24 -5.901 -9.526 3.999 199 H SER 25 H SER 25 -4.358 -6.977 4.168 200 HA SER 25 HA SER 25 -5.686 -5.547 6.409 201 HB2 SER 25 HB2 SER 25 -3.157 -5.549 6.353 202 HB3 SER 25 HB3 SER 25 -3.217 -4.688 4.818 203 HG SER 25 HG SER 25 -3.735 -3.808 7.403 204 H SER 26 H SER 26 -7.240 -4.051 5.870 205 HA SER 26 HA SER 26 -8.166 -3.533 3.283 206 HB2 SER 26 HB2 SER 26 -9.559 -3.050 5.235 207 HB3 SER 26 HB3 SER 26 -8.448 -1.789 5.770 208 HG SER 26 HG SER 26 -10.380 -1.742 3.777 209 H LEU 27 H LEU 27 -7.933 -1.823 1.807 210 HA LEU 27 HA LEU 27 -5.517 -0.501 1.409 211 HB2 LEU 27 HB2 LEU 27 -7.136 -0.709 -0.386 212 HB3 LEU 27 HB3 LEU 27 -8.321 0.235 0.498 213 HG LEU 27 HG LEU 27 -6.899 2.280 0.206 214 HD11 LEU 27 HD11 LEU 27 -5.120 0.537 -1.532 215 HD12 LEU 27 HD12 LEU 27 -4.681 1.258 0.020 216 HD13 LEU 27 HD13 LEU 27 -5.011 2.294 -1.367 217 HD21 LEU 27 HD21 LEU 27 -7.610 0.881 -2.390 218 HD22 LEU 27 HD22 LEU 27 -7.355 2.617 -2.188 219 HD23 LEU 27 HD23 LEU 27 -8.707 1.825 -1.378 220 H ALA 28 H ALA 28 -8.304 0.494 3.335 221 HA ALA 28 HA ALA 28 -7.525 3.165 3.941 222 HB1 ALA 28 HB1 ALA 28 -9.304 1.263 5.507 223 HB2 ALA 28 HB2 ALA 28 -9.827 2.343 4.215 224 HB3 ALA 28 HB3 ALA 28 -9.223 3.015 5.729 225 H LYS 29 H LYS 29 -6.902 0.048 5.590 226 HA LYS 29 HA LYS 29 -5.611 1.111 7.913 227 HB2 LYS 29 HB2 LYS 29 -6.640 -1.198 7.788 228 HB3 LYS 29 HB3 LYS 29 -5.331 -1.690 6.722 229 HG2 LYS 29 HG2 LYS 29 -4.725 -2.495 8.873 230 HG3 LYS 29 HG3 LYS 29 -3.712 -1.071 8.609 231 HD2 LYS 29 HD2 LYS 29 -5.362 0.275 9.967 232 HD3 LYS 29 HD3 LYS 29 -6.245 -1.218 10.298 233 HE2 LYS 29 HE2 LYS 29 -4.874 -0.808 12.212 234 HE3 LYS 29 HE3 LYS 29 -4.084 -2.117 11.334 235 HZ1 LYS 29 HZ1 LYS 29 -2.512 -0.458 12.076 236 HZ2 LYS 29 HZ2 LYS 29 -3.324 0.753 11.217 237 HZ3 LYS 29 HZ3 LYS 29 -2.558 -0.501 10.388 238 H ILE 30 H ILE 30 -4.363 -0.463 4.957 239 HA ILE 30 HA ILE 30 -1.612 -0.155 5.242 240 HB ILE 30 HB ILE 30 -3.299 -0.085 2.691 241 HG12 ILE 30 HG12 ILE 30 -1.804 -2.413 3.987 242 HG13 ILE 30 HG13 ILE 30 -3.541 -2.158 4.085 243 HG21 ILE 30 HG21 ILE 30 -0.300 -0.567 2.907 244 HG22 ILE 30 HG22 ILE 30 -1.074 0.847 2.188 245 HG23 ILE 30 HG23 ILE 30 -1.265 -0.735 1.437 246 HD11 ILE 30 HD11 ILE 30 -3.703 -2.479 1.642 247 HD12 ILE 30 HD12 ILE 30 -3.015 -3.874 2.471 248 HD13 ILE 30 HD13 ILE 30 -1.962 -2.778 1.582 249 H TYR 31 H TYR 31 -3.990 2.124 3.887 250 HA TYR 31 HA TYR 31 -2.311 4.226 3.096 251 HB2 TYR 31 HB2 TYR 31 -4.616 4.183 2.384 252 HB3 TYR 31 HB3 TYR 31 -5.200 4.194 4.043 253 HD1 TYR 31 HD2 TYR 31 -3.257 6.322 1.614 254 HD2 TYR 31 HD1 TYR 31 -5.860 6.250 5.008 255 HE1 TYR 31 HE2 TYR 31 -3.477 8.764 1.500 256 HE2 TYR 31 HE1 TYR 31 -6.070 8.694 4.895 257 HH TYR 31 HH TYR 31 -4.825 10.619 4.019 258 H THR 32 H THR 32 -3.917 3.667 6.238 259 HA THR 32 HA THR 32 -3.104 6.070 7.498 260 HB THR 32 HB THR 32 -3.769 3.425 8.870 261 HG1 THR 32 HG1 THR 32 -5.609 3.886 7.842 262 HG21 THR 32 HG21 THR 32 -2.728 5.059 10.427 263 HG22 THR 32 HG22 THR 32 -4.441 4.841 10.796 264 HG23 THR 32 HG23 THR 32 -3.902 6.281 9.930 265 H GLU 33 H GLU 33 -1.507 2.904 7.275 266 HA GLU 33 HA GLU 33 0.711 3.573 8.988 267 HB2 GLU 33 HB2 GLU 33 0.600 1.405 6.864 268 HB3 GLU 33 HB3 GLU 33 1.689 1.482 8.249 269 HG2 GLU 33 HG2 GLU 33 -1.303 0.984 8.279 270 HG3 GLU 33 HG3 GLU 33 -0.033 -0.186 8.629 271 H ALA 34 H ALA 34 0.060 3.740 5.528 272 HA ALA 34 HA ALA 34 2.751 4.216 4.663 273 HB1 ALA 34 HB1 ALA 34 1.078 3.166 3.210 274 HB2 ALA 34 HB2 ALA 34 1.742 4.618 2.460 275 HB3 ALA 34 HB3 ALA 34 0.132 4.656 3.191 276 H LYS 35 H LYS 35 0.107 6.344 5.646 277 HA LYS 35 HA LYS 35 1.265 8.754 4.532 278 HB2 LYS 35 HB2 LYS 35 -0.575 9.946 5.653 279 HB3 LYS 35 HB3 LYS 35 -1.167 8.555 4.748 280 HG2 LYS 35 HG2 LYS 35 -1.230 7.271 6.916 281 HG3 LYS 35 HG3 LYS 35 -0.838 8.772 7.755 282 HD2 LYS 35 HD2 LYS 35 -3.301 8.333 6.010 283 HD3 LYS 35 HD3 LYS 35 -3.280 8.240 7.774 284 HE2 LYS 35 HE2 LYS 35 -2.616 10.714 6.144 285 HE3 LYS 35 HE3 LYS 35 -4.146 10.416 6.966 286 HZ1 LYS 35 HZ1 LYS 35 -2.909 10.339 9.073 287 HZ2 LYS 35 HZ2 LYS 35 -2.764 11.832 8.298 288 HZ3 LYS 35 HZ3 LYS 35 -1.487 10.731 8.249 289 H LYS 36 H LYS 36 2.136 6.935 7.191 290 HA LYS 36 HA LYS 36 2.814 8.980 9.092 291 HB2 LYS 36 HB2 LYS 36 3.733 6.090 8.842 292 HB3 LYS 36 HB3 LYS 36 4.091 7.126 10.225 293 HG2 LYS 36 HG2 LYS 36 1.717 7.302 10.766 294 HG3 LYS 36 HG3 LYS 36 1.288 6.388 9.314 295 HD2 LYS 36 HD2 LYS 36 2.471 4.402 10.226 296 HD3 LYS 36 HD3 LYS 36 2.877 5.313 11.687 297 HE2 LYS 36 HE2 LYS 36 0.496 5.507 12.255 298 HE3 LYS 36 HE3 LYS 36 0.042 4.717 10.744 299 HZ1 LYS 36 HZ1 LYS 36 1.193 2.722 11.522 300 HZ2 LYS 36 HZ2 LYS 36 -0.070 3.179 12.543 301 HZ3 LYS 36 HZ3 LYS 36 1.531 3.491 12.989 302 H VAL 37 H VAL 37 4.375 8.069 6.164 303 HA VAL 37 HA VAL 37 7.008 9.040 7.019 304 HB VAL 37 HB VAL 37 7.340 8.808 4.273 305 HG11 VAL 37 HG11 VAL 37 7.663 6.568 6.295 306 HG12 VAL 37 HG12 VAL 37 8.825 7.856 5.950 307 HG13 VAL 37 HG13 VAL 37 8.434 6.667 4.707 308 HG21 VAL 37 HG21 VAL 37 5.060 7.932 3.912 309 HG22 VAL 37 HG22 VAL 37 5.391 6.595 5.011 310 HG23 VAL 37 HG23 VAL 37 6.288 6.736 3.496 311 HA PRO 38 HA PRO 38 6.206 13.290 5.927 312 HB2 PRO 38 HB2 PRO 38 8.760 14.255 5.736 313 HB3 PRO 38 HB3 PRO 38 8.013 13.822 7.280 314 HG2 PRO 38 HG2 PRO 38 9.878 12.178 5.556 315 HG3 PRO 38 HG3 PRO 38 9.958 12.474 7.309 316 HD2 PRO 38 HD2 PRO 38 8.902 10.190 6.310 317 HD3 PRO 38 HD3 PRO 38 8.233 10.948 7.773 318 H TRP 39 H TRP 39 8.164 11.256 3.759 319 HA TRP 39 HA TRP 39 8.119 13.172 1.569 320 HB2 TRP 39 HB2 TRP 39 9.114 11.351 0.198 321 HB3 TRP 39 HB3 TRP 39 10.009 11.653 1.675 322 HD1 TRP 39 HD1 TRP 39 10.328 9.628 3.337 323 HE1 TRP 39 HE1 TRP 39 9.789 7.124 3.202 324 HE3 TRP 39 HE3 TRP 39 7.227 9.644 -0.750 325 HZ2 TRP 39 HZ2 TRP 39 8.264 5.378 1.621 326 HZ3 TRP 39 HZ3 TRP 39 6.267 7.505 -1.505 327 HH2 TRP 39 HH2 TRP 39 6.777 5.413 -0.340 328 H PHE 40 H PHE 40 6.004 10.673 2.737 329 HA PHE 40 HA PHE 40 4.579 9.974 0.408 330 HB2 PHE 40 HB2 PHE 40 4.417 8.823 2.637 331 HB3 PHE 40 HB3 PHE 40 3.473 10.172 3.248 332 HD1 PHE 40 HD2 PHE 40 3.468 7.251 0.997 333 HD2 PHE 40 HD1 PHE 40 1.098 10.423 2.599 334 HE1 PHE 40 HE2 PHE 40 1.420 6.150 0.198 335 HE2 PHE 40 HE1 PHE 40 -0.941 9.307 1.798 336 HZ PHE 40 HZ PHE 40 -0.778 7.174 0.595 337 H ASP 41 H ASP 41 3.096 10.997 -0.809 338 HA ASP 41 HA ASP 41 2.288 13.721 -0.302 339 HB2 ASP 41 HB2 ASP 41 2.687 12.989 -2.609 340 HB3 ASP 41 HB3 ASP 41 1.459 11.736 -2.463 341 H GLN 42 H GLN 42 0.828 14.097 1.295 342 HA GLN 42 HA GLN 42 -1.071 12.219 2.293 343 HB2 GLN 42 HB2 GLN 42 -1.039 15.240 2.706 344 HB3 GLN 42 HB3 GLN 42 -1.864 14.061 3.720 345 HG2 GLN 42 HG2 GLN 42 1.147 14.361 3.414 346 HG3 GLN 42 HG3 GLN 42 0.181 14.910 4.781 347 HE21 GLN 42 HE21 GLN 42 1.702 12.183 3.273 348 HE22 GLN 42 HE22 GLN 42 1.423 11.062 4.555 349 H GLN 43 H GLN 43 -1.237 14.203 -0.477 350 HA GLN 43 HA GLN 43 -4.100 14.810 -0.385 351 HB2 GLN 43 HB2 GLN 43 -2.121 15.417 -2.623 352 HB3 GLN 43 HB3 GLN 43 -3.687 16.181 -2.337 353 HG2 GLN 43 HG2 GLN 43 -2.836 17.276 -0.333 354 HG3 GLN 43 HG3 GLN 43 -1.306 16.413 -0.460 355 HE21 GLN 43 HE21 GLN 43 0.132 16.975 -2.157 356 HE22 GLN 43 HE22 GLN 43 0.033 18.514 -2.935 357 H ASN 44 H ASN 44 -2.024 13.507 -3.014 358 HA ASN 44 HA ASN 44 -4.291 11.926 -4.088 359 HB2 ASN 44 HB2 ASN 44 -1.656 12.509 -5.508 360 HB3 ASN 44 HB3 ASN 44 -3.197 12.043 -6.228 361 HD21 ASN 44 HD21 ASN 44 -1.350 14.646 -4.834 362 HD22 ASN 44 HD22 ASN 44 -2.370 15.929 -5.378 363 H GLY 45 H GLY 45 -1.760 11.414 -2.057 364 HA2 GLY 45 HA2 GLY 45 -0.320 9.208 -3.004 365 HA3 GLY 45 HA3 GLY 45 -0.553 9.619 -1.315 366 H ARG 46 H ARG 46 -3.508 9.290 -1.534 367 HA ARG 46 HA ARG 46 -3.775 6.533 -0.900 368 HB2 ARG 46 HB2 ARG 46 -5.252 8.350 -0.040 369 HB3 ARG 46 HB3 ARG 46 -5.950 8.531 -1.645 370 HG2 ARG 46 HG2 ARG 46 -6.876 6.269 -1.532 371 HG3 ARG 46 HG3 ARG 46 -6.100 5.996 0.028 372 HD2 ARG 46 HD2 ARG 46 -8.517 6.538 0.241 373 HD3 ARG 46 HD3 ARG 46 -7.481 7.699 1.073 374 HE ARG 46 HE ARG 46 -8.180 8.502 -1.602 375 HH11 ARG 46 HH11 ARG 46 -9.338 8.537 1.648 376 HH12 ARG 46 HH12 ARG 46 -10.289 9.954 1.401 377 HH21 ARG 46 HH21 ARG 46 -9.374 10.319 -1.888 378 HH22 ARG 46 HH22 ARG 46 -10.299 10.956 -0.575 379 H THR 47 H THR 47 -4.546 8.387 -3.869 380 HA THR 47 HA THR 47 -5.506 6.214 -5.448 381 HB THR 47 HB THR 47 -4.152 8.781 -6.421 382 HG1 THR 47 HG1 THR 47 -6.485 9.340 -6.785 383 HG21 THR 47 HG21 THR 47 -6.010 6.899 -7.935 384 HG22 THR 47 HG22 THR 47 -4.275 7.070 -8.212 385 HG23 THR 47 HG23 THR 47 -5.358 8.422 -8.543 386 H TYR 48 H TYR 48 -2.261 7.585 -4.916 387 HA TYR 48 HA TYR 48 -0.847 6.051 -6.829 388 HB2 TYR 48 HB2 TYR 48 0.188 7.243 -4.221 389 HB3 TYR 48 HB3 TYR 48 1.200 6.660 -5.541 390 HD1 TYR 48 HD1 TYR 48 -0.800 7.912 -7.722 391 HD2 TYR 48 HD2 TYR 48 1.256 9.465 -4.308 392 HE1 TYR 48 HE1 TYR 48 -0.826 10.154 -8.719 393 HE2 TYR 48 HE2 TYR 48 1.218 11.709 -5.306 394 HH TYR 48 HH TYR 48 -0.702 12.514 -7.969 395 H LEU 49 H LEU 49 -1.571 5.401 -3.372 396 HA LEU 49 HA LEU 49 -0.278 2.873 -3.189 397 HB2 LEU 49 HB2 LEU 49 -2.687 3.928 -1.663 398 HB3 LEU 49 HB3 LEU 49 -1.800 2.467 -1.241 399 HG LEU 49 HG LEU 49 -0.707 5.307 -1.154 400 HD11 LEU 49 HD11 LEU 49 -0.697 4.995 1.276 401 HD12 LEU 49 HD12 LEU 49 -1.431 3.400 1.092 402 HD13 LEU 49 HD13 LEU 49 -2.325 4.847 0.618 403 HD21 LEU 49 HD21 LEU 49 0.664 2.700 -0.393 404 HD22 LEU 49 HD22 LEU 49 1.308 4.322 -0.118 405 HD23 LEU 49 HD23 LEU 49 1.077 3.735 -1.764 406 H LYS 50 H LYS 50 -3.619 3.813 -3.994 407 HA LYS 50 HA LYS 50 -4.889 1.348 -4.206 408 HB2 LYS 50 HB2 LYS 50 -5.820 3.767 -4.343 409 HB3 LYS 50 HB3 LYS 50 -5.440 3.712 -6.054 410 HG2 LYS 50 HG2 LYS 50 -7.344 1.796 -4.660 411 HG3 LYS 50 HG3 LYS 50 -7.848 3.294 -5.445 412 HD2 LYS 50 HD2 LYS 50 -6.886 2.385 -7.607 413 HD3 LYS 50 HD3 LYS 50 -6.603 0.853 -6.772 414 HE2 LYS 50 HE2 LYS 50 -9.290 2.190 -7.239 415 HE3 LYS 50 HE3 LYS 50 -8.684 0.741 -8.041 416 HZ1 LYS 50 HZ1 LYS 50 -9.262 0.978 -5.135 417 HZ2 LYS 50 HZ2 LYS 50 -8.727 -0.413 -5.931 418 HZ3 LYS 50 HZ3 LYS 50 -10.255 0.221 -6.275 419 H TYR 51 H TYR 51 -3.053 3.134 -6.671 420 HA TYR 51 HA TYR 51 -3.378 1.119 -8.713 421 HB2 TYR 51 HB2 TYR 51 -2.425 3.885 -8.607 422 HB3 TYR 51 HB3 TYR 51 -1.286 2.904 -9.512 423 HD1 TYR 51 HD1 TYR 51 -2.334 1.308 -11.328 424 HD2 TYR 51 HD2 TYR 51 -4.317 4.769 -9.772 425 HE1 TYR 51 HE1 TYR 51 -3.760 1.377 -13.322 426 HE2 TYR 51 HE2 TYR 51 -5.754 4.840 -11.773 427 HH TYR 51 HH TYR 51 -5.715 4.061 -14.104 428 H SER 52 H SER 52 -0.763 2.030 -6.482 429 HA SER 52 HA SER 52 1.315 0.421 -7.549 430 HB2 SER 52 HB2 SER 52 0.831 1.413 -4.711 431 HB3 SER 52 HB3 SER 52 2.276 0.513 -5.174 432 HG SER 52 HG SER 52 1.456 2.871 -6.506 433 H ILE 53 H ILE 53 -0.916 -0.236 -4.865 434 HA ILE 53 HA ILE 53 -0.391 -2.885 -4.293 435 HB ILE 53 HB ILE 53 -3.028 -1.359 -4.187 436 HG12 ILE 53 HG12 ILE 53 -1.042 -2.148 -2.018 437 HG13 ILE 53 HG13 ILE 53 -1.312 -0.527 -2.640 438 HG21 ILE 53 HG21 ILE 53 -2.520 -4.128 -3.049 439 HG22 ILE 53 HG22 ILE 53 -3.606 -3.732 -4.383 440 HG23 ILE 53 HG23 ILE 53 -3.954 -3.142 -2.760 441 HD11 ILE 53 HD11 ILE 53 -2.314 -0.773 -0.469 442 HD12 ILE 53 HD12 ILE 53 -3.242 -2.174 -1.001 443 HD13 ILE 53 HD13 ILE 53 -3.587 -0.578 -1.673 444 H LYS 54 H LYS 54 -2.764 -1.603 -6.662 445 HA LYS 54 HA LYS 54 -3.867 -4.064 -7.464 446 HB2 LYS 54 HB2 LYS 54 -4.928 -1.854 -7.844 447 HB3 LYS 54 HB3 LYS 54 -3.682 -1.451 -9.023 448 HG2 LYS 54 HG2 LYS 54 -4.459 -3.227 -10.509 449 HG3 LYS 54 HG3 LYS 54 -5.632 -3.757 -9.295 450 HD2 LYS 54 HD2 LYS 54 -6.786 -1.554 -9.483 451 HD3 LYS 54 HD3 LYS 54 -5.636 -1.076 -10.739 452 HE2 LYS 54 HE2 LYS 54 -6.428 -2.914 -12.175 453 HE3 LYS 54 HE3 LYS 54 -7.545 -3.436 -10.912 454 HZ1 LYS 54 HZ1 LYS 54 -8.663 -1.301 -11.101 455 HZ2 LYS 54 HZ2 LYS 54 -8.669 -2.147 -12.563 456 HZ3 LYS 54 HZ3 LYS 54 -7.613 -0.849 -12.343 457 H ALA 55 H ALA 55 -1.192 -2.178 -8.837 458 HA ALA 55 HA ALA 55 -0.565 -3.887 -11.015 459 HB1 ALA 55 HB1 ALA 55 1.246 -1.973 -9.512 460 HB2 ALA 55 HB2 ALA 55 0.206 -1.554 -10.878 461 HB3 ALA 55 HB3 ALA 55 1.563 -2.664 -11.108 462 H LEU 56 H LEU 56 0.573 -3.823 -7.623 463 HA LEU 56 HA LEU 56 2.503 -5.917 -7.851 464 HB2 LEU 56 HB2 LEU 56 1.009 -4.870 -5.423 465 HB3 LEU 56 HB3 LEU 56 2.306 -6.053 -5.332 466 HG LEU 56 HG LEU 56 2.609 -3.199 -6.351 467 HD11 LEU 56 HD11 LEU 56 3.864 -2.777 -4.283 468 HD12 LEU 56 HD12 LEU 56 3.493 -4.408 -3.712 469 HD13 LEU 56 HD13 LEU 56 2.194 -3.234 -3.947 470 HD21 LEU 56 HD21 LEU 56 4.730 -5.327 -5.896 471 HD22 LEU 56 HD22 LEU 56 5.033 -3.644 -6.340 472 HD23 LEU 56 HD23 LEU 56 4.187 -4.709 -7.460 473 H VAL 57 H VAL 57 -1.004 -5.967 -7.234 474 HA VAL 57 HA VAL 57 -1.193 -8.749 -6.550 475 HB VAL 57 HB VAL 57 -3.340 -6.908 -7.723 476 HG11 VAL 57 HG11 VAL 57 -3.664 -9.613 -6.353 477 HG12 VAL 57 HG12 VAL 57 -3.935 -9.283 -8.066 478 HG13 VAL 57 HG13 VAL 57 -4.986 -8.553 -6.852 479 HG21 VAL 57 HG21 VAL 57 -2.824 -7.665 -4.815 480 HG22 VAL 57 HG22 VAL 57 -4.156 -6.664 -5.396 481 HG23 VAL 57 HG23 VAL 57 -2.495 -6.089 -5.539 482 H GLN 58 H GLN 58 -1.372 -6.911 -9.576 483 HA GLN 58 HA GLN 58 -1.810 -9.028 -11.394 484 HB2 GLN 58 HB2 GLN 58 -2.196 -6.674 -11.944 485 HB3 GLN 58 HB3 GLN 58 -0.501 -6.290 -11.710 486 HG2 GLN 58 HG2 GLN 58 -1.077 -8.339 -13.791 487 HG3 GLN 58 HG3 GLN 58 -1.668 -6.719 -14.135 488 HE21 GLN 58 HE21 GLN 58 -0.221 -6.522 -15.884 489 HE22 GLN 58 HE22 GLN 58 1.465 -6.256 -15.648 490 H ASN 59 H ASN 59 1.169 -7.727 -9.924 491 HA ASN 59 HA ASN 59 2.938 -9.533 -11.394 492 HB2 ASN 59 HB2 ASN 59 3.447 -7.523 -9.164 493 HB3 ASN 59 HB3 ASN 59 4.705 -8.614 -9.734 494 HD21 ASN 59 HD21 ASN 59 3.039 -5.696 -10.343 495 HD22 ASN 59 HD22 ASN 59 3.826 -5.279 -11.813 496 H ASP 60 H ASP 60 0.781 -10.242 -9.076 497 HA ASP 60 HA ASP 60 0.436 -11.876 -7.556 498 HB2 ASP 60 HB2 ASP 60 2.810 -13.223 -8.904 499 HB3 ASP 60 HB3 ASP 60 1.695 -14.021 -7.799 500 H THR 61 H THR 61 2.392 -9.692 -6.960 501 HA THR 61 HA THR 61 4.172 -10.716 -4.909 502 HB THR 61 HB THR 61 3.410 -7.806 -5.462 503 HG1 THR 61 HG1 THR 61 4.632 -9.466 -7.102 504 HG21 THR 61 HG21 THR 61 4.635 -8.161 -3.327 505 HG22 THR 61 HG22 THR 61 5.613 -7.275 -4.498 506 HG23 THR 61 HG23 THR 61 5.921 -8.988 -4.209 507 H LEU 62 H LEU 62 1.050 -9.081 -5.161 508 HA LEU 62 HA LEU 62 0.534 -9.517 -2.278 509 HB2 LEU 62 HB2 LEU 62 -0.781 -7.489 -4.138 510 HB3 LEU 62 HB3 LEU 62 -1.184 -7.734 -2.442 511 HG LEU 62 HG LEU 62 1.414 -6.598 -3.553 512 HD11 LEU 62 HD11 LEU 62 0.747 -4.547 -2.389 513 HD12 LEU 62 HD12 LEU 62 -0.756 -5.312 -1.866 514 HD13 LEU 62 HD13 LEU 62 -0.457 -5.026 -3.583 515 HD21 LEU 62 HD21 LEU 62 0.705 -7.167 -0.655 516 HD22 LEU 62 HD22 LEU 62 2.117 -6.260 -1.208 517 HD23 LEU 62 HD23 LEU 62 1.956 -7.967 -1.610 518 H LEU 63 H LEU 63 -1.405 -10.428 -1.688 519 HA LEU 63 HA LEU 63 -3.009 -11.857 -3.709 520 HB2 LEU 63 HB2 LEU 63 -2.701 -12.279 -0.701 521 HB3 LEU 63 HB3 LEU 63 -3.774 -13.221 -1.730 522 HG LEU 63 HG LEU 63 -0.735 -13.142 -2.006 523 HD11 LEU 63 HD11 LEU 63 -2.481 -15.319 -0.815 524 HD12 LEU 63 HD12 LEU 63 -1.362 -14.272 0.061 525 HD13 LEU 63 HD13 LEU 63 -0.742 -15.429 -1.113 526 HD21 LEU 63 HD21 LEU 63 -1.838 -13.567 -4.156 527 HD22 LEU 63 HD22 LEU 63 -2.782 -14.878 -3.443 528 HD23 LEU 63 HD23 LEU 63 -1.027 -15.023 -3.580 529 H GLN 64 H GLN 64 -4.965 -10.977 -4.191 530 HA GLN 64 HA GLN 64 -6.088 -8.809 -2.685 531 HB2 GLN 64 HB2 GLN 64 -7.851 -8.742 -4.395 532 HB3 GLN 64 HB3 GLN 64 -6.253 -8.824 -5.127 533 HG2 GLN 64 HG2 GLN 64 -6.623 -11.270 -5.530 534 HG3 GLN 64 HG3 GLN 64 -8.257 -11.083 -4.902 535 HE21 GLN 64 HE21 GLN 64 -6.140 -10.453 -7.583 536 HE22 GLN 64 HE22 GLN 64 -7.363 -9.940 -8.686 537 H VAL 65 H VAL 65 -7.142 -9.079 -0.902 538 HA VAL 65 HA VAL 65 -8.805 -11.438 -0.316 539 HB VAL 65 HB VAL 65 -7.679 -9.323 1.572 540 HG11 VAL 65 HG11 VAL 65 -8.371 -10.834 3.405 541 HG12 VAL 65 HG12 VAL 65 -9.122 -11.919 2.234 542 HG13 VAL 65 HG13 VAL 65 -9.759 -10.288 2.461 543 HG21 VAL 65 HG21 VAL 65 -5.872 -10.708 0.629 544 HG22 VAL 65 HG22 VAL 65 -6.714 -12.177 1.135 545 HG23 VAL 65 HG23 VAL 65 -6.096 -11.052 2.347 546 H LYS 66 H LYS 66 -11.003 -11.198 -0.053 547 HA LYS 66 HA LYS 66 -12.199 -8.544 0.357 548 HB2 LYS 66 HB2 LYS 66 -13.794 -8.878 -1.544 549 HB3 LYS 66 HB3 LYS 66 -12.118 -8.711 -2.060 550 HG2 LYS 66 HG2 LYS 66 -12.050 -11.286 -2.143 551 HG3 LYS 66 HG3 LYS 66 -13.807 -11.228 -2.005 552 HD2 LYS 66 HD2 LYS 66 -13.208 -11.441 -4.341 553 HD3 LYS 66 HD3 LYS 66 -13.878 -9.827 -4.085 554 HE2 LYS 66 HE2 LYS 66 -11.599 -8.870 -4.068 555 HE3 LYS 66 HE3 LYS 66 -10.903 -10.483 -4.241 556 HZ1 LYS 66 HZ1 LYS 66 -12.612 -9.085 -6.221 557 HZ2 LYS 66 HZ2 LYS 66 -12.035 -10.665 -6.380 558 HZ3 LYS 66 HZ3 LYS 66 -10.948 -9.376 -6.340 559 H GLY 67 H GLY 67 -14.014 -8.561 1.594 560 HA2 GLY 67 HA2 GLY 67 -16.122 -9.501 2.246 561 HA3 GLY 67 HA3 GLY 67 -15.470 -11.112 2.037 562 H THR 68 H THR 68 -13.201 -11.138 3.565 563 HA THR 68 HA THR 68 -14.397 -11.723 6.067 564 HB THR 68 HB THR 68 -12.559 -13.083 5.243 565 HG1 THR 68 HG1 THR 68 -11.349 -12.037 7.529 566 HG21 THR 68 HG21 THR 68 -11.173 -11.344 4.159 567 HG22 THR 68 HG22 THR 68 -10.220 -12.326 5.270 568 HG23 THR 68 HG23 THR 68 -10.730 -10.705 5.745 569 H GLY 69 H GLY 69 -12.079 -9.135 5.246 570 HA2 GLY 69 HA2 GLY 69 -12.420 -7.947 7.955 571 HA3 GLY 69 HA3 GLY 69 -11.021 -7.734 6.913 572 H ALA 70 H ALA 70 -11.915 -6.990 4.568 573 HA ALA 70 HA ALA 70 -13.974 -4.918 4.739 574 HB1 ALA 70 HB1 ALA 70 -11.118 -4.263 3.895 575 HB2 ALA 70 HB2 ALA 70 -11.898 -3.734 5.386 576 HB3 ALA 70 HB3 ALA 70 -12.497 -3.160 3.830 577 H ASN 71 H ASN 71 -14.061 -3.795 2.415 578 HA ASN 71 HA ASN 71 -14.693 -5.766 0.466 579 HB2 ASN 71 HB2 ASN 71 -14.253 -2.767 0.111 580 HB3 ASN 71 HB3 ASN 71 -15.012 -3.823 -1.076 581 HD21 ASN 71 HD21 ASN 71 -16.056 -1.451 0.393 582 HD22 ASN 71 HD22 ASN 71 -17.512 -2.002 1.135 583 H GLY 72 H GLY 72 -12.040 -3.364 0.543 584 HA2 GLY 72 HA2 GLY 72 -10.443 -5.026 -1.339 585 HA3 GLY 72 HA3 GLY 72 -10.302 -3.283 -1.155 586 H SER 73 H SER 73 -9.780 -6.370 0.536 587 HA SER 73 HA SER 73 -7.709 -5.136 2.249 588 HB2 SER 73 HB2 SER 73 -8.965 -7.914 2.388 589 HB3 SER 73 HB3 SER 73 -7.824 -7.234 3.552 590 HG SER 73 HG SER 73 -10.225 -5.863 2.998 591 H PHE 74 H PHE 74 -5.544 -6.102 2.244 592 HA PHE 74 HA PHE 74 -4.795 -7.837 0.022 593 HB2 PHE 74 HB2 PHE 74 -3.676 -4.998 0.261 594 HB3 PHE 74 HB3 PHE 74 -3.151 -6.208 -0.904 595 HD1 PHE 74 HD1 PHE 74 -4.848 -7.038 -2.643 596 HD2 PHE 74 HD2 PHE 74 -5.500 -3.543 -0.251 597 HE1 PHE 74 HE1 PHE 74 -6.573 -6.268 -4.220 598 HE2 PHE 74 HE2 PHE 74 -7.221 -2.783 -1.839 599 HZ PHE 74 HZ PHE 74 -7.762 -4.147 -3.818 600 H LYS 75 H LYS 75 -2.797 -8.834 0.282 601 HA LYS 75 HA LYS 75 -1.087 -8.156 2.566 602 HB2 LYS 75 HB2 LYS 75 -1.106 -10.464 3.479 603 HB3 LYS 75 HB3 LYS 75 -2.688 -9.698 3.590 604 HG2 LYS 75 HG2 LYS 75 -3.496 -10.971 1.679 605 HG3 LYS 75 HG3 LYS 75 -1.892 -11.669 1.429 606 HD2 LYS 75 HD2 LYS 75 -2.054 -12.729 3.701 607 HD3 LYS 75 HD3 LYS 75 -3.706 -12.112 3.836 608 HE2 LYS 75 HE2 LYS 75 -4.408 -13.482 1.939 609 HE3 LYS 75 HE3 LYS 75 -2.742 -13.999 1.653 610 HZ1 LYS 75 HZ1 LYS 75 -2.748 -15.113 3.779 611 HZ2 LYS 75 HZ2 LYS 75 -4.036 -15.661 2.831 612 HZ3 LYS 75 HZ3 LYS 75 -4.320 -14.578 4.097 613 H LEU 76 H LEU 76 0.904 -9.680 2.618 614 HA LEU 76 HA LEU 76 2.161 -9.603 0.036 615 HB2 LEU 76 HB2 LEU 76 3.110 -10.756 2.686 616 HB3 LEU 76 HB3 LEU 76 4.118 -10.638 1.251 617 HG LEU 76 HG LEU 76 2.928 -8.268 2.760 618 HD11 LEU 76 HD11 LEU 76 5.229 -7.773 3.443 619 HD12 LEU 76 HD12 LEU 76 5.797 -9.250 2.659 620 HD13 LEU 76 HD13 LEU 76 4.705 -9.345 4.045 621 HD21 LEU 76 HD21 LEU 76 4.336 -6.859 1.308 622 HD22 LEU 76 HD22 LEU 76 3.154 -7.765 0.371 623 HD23 LEU 76 HD23 LEU 76 4.839 -8.286 0.393 624 H ASN 77 H ASN 77 2.937 -11.321 -1.244 625 HA ASN 77 HA ASN 77 1.791 -14.020 -0.783 626 HB2 ASN 77 HB2 ASN 77 1.297 -12.758 -2.969 627 HB3 ASN 77 HB3 ASN 77 2.999 -12.942 -3.376 628 HD21 ASN 77 HD21 ASN 77 1.039 -13.909 -5.017 629 HD22 ASN 77 HD22 ASN 77 1.080 -15.635 -5.015 630 H ARG 78 H ARG 78 4.691 -12.576 -2.322 631 HA ARG 78 HA ARG 78 6.712 -13.848 -0.810 632 HB2 ARG 78 HB2 ARG 78 5.572 -15.858 -2.008 633 HB3 ARG 78 HB3 ARG 78 6.235 -15.228 -3.500 634 HG2 ARG 78 HG2 ARG 78 8.305 -16.101 -3.092 635 HG3 ARG 78 HG3 ARG 78 8.289 -15.608 -1.402 636 HD2 ARG 78 HD2 ARG 78 6.885 -18.070 -2.521 637 HD3 ARG 78 HD3 ARG 78 8.414 -18.059 -1.631 638 HE ARG 78 HE ARG 78 7.063 -17.009 0.245 639 HH11 ARG 78 HH11 ARG 78 5.638 -19.272 -1.945 640 HH12 ARG 78 HH12 ARG 78 4.421 -19.748 -0.816 641 HH21 ARG 78 HH21 ARG 78 5.497 -17.641 1.666 642 HH22 ARG 78 HH22 ARG 78 4.344 -18.839 1.193 643 H LYS 79 H LYS 79 8.887 -13.871 -2.381 644 HA LYS 79 HA LYS 79 9.100 -11.272 -3.680 645 HB2 LYS 79 HB2 LYS 79 10.873 -12.630 -2.213 646 HB3 LYS 79 HB3 LYS 79 11.301 -13.360 -3.750 647 HG2 LYS 79 HG2 LYS 79 12.803 -11.536 -3.327 648 HG3 LYS 79 HG3 LYS 79 11.751 -11.058 -4.656 649 HD2 LYS 79 HD2 LYS 79 10.468 -9.592 -3.250 650 HD3 LYS 79 HD3 LYS 79 11.157 -10.275 -1.776 651 HE2 LYS 79 HE2 LYS 79 12.076 -8.033 -2.281 652 HE3 LYS 79 HE3 LYS 79 13.328 -9.274 -2.279 653 HZ1 LYS 79 HZ1 LYS 79 13.391 -9.265 -4.627 654 HZ2 LYS 79 HZ2 LYS 79 13.464 -7.653 -4.133 655 HZ3 LYS 79 HZ3 LYS 79 12.025 -8.284 -4.747 656 H LYS 80 H LYS 80 7.307 -13.210 -4.936 657 HA LYS 80 HA LYS 80 8.385 -14.392 -7.290 658 HB2 LYS 80 HB2 LYS 80 6.304 -15.126 -6.030 659 HB3 LYS 80 HB3 LYS 80 5.483 -13.691 -6.643 660 HG2 LYS 80 HG2 LYS 80 5.793 -14.517 -8.955 661 HG3 LYS 80 HG3 LYS 80 6.605 -15.960 -8.328 662 HD2 LYS 80 HD2 LYS 80 4.520 -16.589 -7.136 663 HD3 LYS 80 HD3 LYS 80 3.726 -15.144 -7.773 664 HE2 LYS 80 HE2 LYS 80 4.760 -17.509 -9.383 665 HE3 LYS 80 HE3 LYS 80 3.072 -17.079 -9.097 666 HZ1 LYS 80 HZ1 LYS 80 3.517 -14.975 -10.310 667 HZ2 LYS 80 HZ2 LYS 80 3.685 -16.359 -11.263 668 HZ3 LYS 80 HZ3 LYS 80 5.058 -15.558 -10.693 669 H LEU 81 H LEU 81 7.825 -11.181 -6.521 670 HA LEU 81 HA LEU 81 6.658 -9.900 -8.689 671 HB2 LEU 81 HB2 LEU 81 7.400 -8.983 -6.410 672 HB3 LEU 81 HB3 LEU 81 9.017 -8.844 -7.072 673 HG LEU 81 HG LEU 81 6.624 -7.362 -8.274 674 HD11 LEU 81 HD11 LEU 81 7.323 -5.367 -7.015 675 HD12 LEU 81 HD12 LEU 81 8.552 -6.319 -6.176 676 HD13 LEU 81 HD13 LEU 81 6.843 -6.676 -5.934 677 HD21 LEU 81 HD21 LEU 81 9.610 -6.817 -8.520 678 HD22 LEU 81 HD22 LEU 81 8.320 -5.835 -9.221 679 HD23 LEU 81 HD23 LEU 81 8.569 -7.485 -9.780 680 H GLU 82 H GLU 82 10.107 -10.626 -8.166 681 HA GLU 82 HA GLU 82 10.758 -10.025 -10.992 682 HB2 GLU 82 HB2 GLU 82 13.088 -9.759 -10.172 683 HB3 GLU 82 HB3 GLU 82 11.966 -8.673 -9.357 684 HG2 GLU 82 HG2 GLU 82 11.923 -10.205 -7.402 685 HG3 GLU 82 HG3 GLU 82 13.085 -11.257 -8.213 686 H GLY 83 H GLY 83 10.202 -12.667 -8.955 687 HA2 GLY 83 HA2 GLY 83 11.925 -14.496 -10.562 688 HA3 GLY 83 HA3 GLY 83 11.585 -14.743 -8.856 Start of MODEL 2 1 H1 SER 1 H1 SER 1 25.883 0.767 -15.056 2 H2 SER 1 H2 SER 1 24.758 -0.466 -14.795 3 H3 SER 1 H3 SER 1 25.488 0.298 -13.476 4 HA SER 1 HA SER 1 24.446 2.388 -14.080 5 HB2 SER 1 HB2 SER 1 23.022 0.707 -16.190 6 HB3 SER 1 HB3 SER 1 22.679 2.402 -15.829 7 HG SER 1 HG SER 1 24.061 2.524 -17.484 8 H HIS 2 H HIS 2 23.411 2.484 -12.137 9 HA HIS 2 HA HIS 2 21.272 0.539 -11.467 10 HB2 HIS 2 HB2 HIS 2 22.639 2.606 -9.684 11 HB3 HIS 2 HB3 HIS 2 21.455 1.418 -9.153 12 HD1 HIS 2 HD1 HIS 2 24.873 1.948 -8.881 13 HD2 HIS 2 HD2 HIS 2 22.632 -1.363 -10.000 14 HE1 HIS 2 HE1 HIS 2 26.350 -0.027 -8.449 15 HE2 HIS 2 HE2 HIS 2 24.886 -2.019 -8.912 16 H MET 3 H MET 3 19.363 1.248 -12.401 17 HA MET 3 HA MET 3 18.210 3.701 -11.310 18 HB2 MET 3 HB2 MET 3 17.320 4.487 -13.511 19 HB3 MET 3 HB3 MET 3 19.070 4.566 -13.401 20 HG2 MET 3 HG2 MET 3 17.529 2.414 -14.870 21 HG3 MET 3 HG3 MET 3 18.266 3.830 -15.621 22 HE1 MET 3 HE1 MET 3 19.571 2.233 -17.342 23 HE2 MET 3 HE2 MET 3 18.806 0.834 -16.587 24 HE3 MET 3 HE3 MET 3 20.552 0.859 -16.827 25 H GLN 4 H GLN 4 17.129 2.125 -10.036 26 HA GLN 4 HA GLN 4 14.874 0.709 -11.351 27 HB2 GLN 4 HB2 GLN 4 16.478 -0.767 -10.169 28 HB3 GLN 4 HB3 GLN 4 16.225 0.142 -8.681 29 HG2 GLN 4 HG2 GLN 4 13.831 -0.560 -8.712 30 HG3 GLN 4 HG3 GLN 4 14.167 -1.555 -10.131 31 HE21 GLN 4 HE21 GLN 4 15.458 -3.442 -9.862 32 HE22 GLN 4 HE22 GLN 4 15.727 -4.129 -8.308 33 HA PRO 5 HA PRO 5 12.538 3.896 -8.994 34 HB2 PRO 5 HB2 PRO 5 10.252 3.851 -10.405 35 HB3 PRO 5 HB3 PRO 5 11.736 4.509 -11.115 36 HG2 PRO 5 HG2 PRO 5 10.513 1.771 -11.496 37 HG3 PRO 5 HG3 PRO 5 11.148 2.884 -12.727 38 HD2 PRO 5 HD2 PRO 5 12.602 0.775 -11.679 39 HD3 PRO 5 HD3 PRO 5 13.349 2.246 -12.342 40 H GLY 6 H GLY 6 10.415 3.939 -7.810 41 HA2 GLY 6 HA2 GLY 6 8.443 2.597 -7.081 42 HA3 GLY 6 HA3 GLY 6 9.544 1.253 -6.842 43 H LYS 7 H LYS 7 7.982 3.828 -5.349 44 HA LYS 7 HA LYS 7 9.564 3.476 -2.880 45 HB2 LYS 7 HB2 LYS 7 9.251 5.880 -2.331 46 HB3 LYS 7 HB3 LYS 7 10.202 5.639 -3.791 47 HG2 LYS 7 HG2 LYS 7 8.150 6.134 -5.148 48 HG3 LYS 7 HG3 LYS 7 7.296 6.500 -3.649 49 HD2 LYS 7 HD2 LYS 7 8.022 8.576 -4.681 50 HD3 LYS 7 HD3 LYS 7 8.940 8.326 -3.194 51 HE2 LYS 7 HE2 LYS 7 10.883 7.585 -4.470 52 HE3 LYS 7 HE3 LYS 7 9.965 7.650 -5.975 53 HZ1 LYS 7 HZ1 LYS 7 10.584 9.988 -4.259 54 HZ2 LYS 7 HZ2 LYS 7 9.772 10.021 -5.742 55 HZ3 LYS 7 HZ3 LYS 7 11.401 9.572 -5.680 56 H TYR 8 H TYR 8 6.366 4.573 -4.179 57 HA TYR 8 HA TYR 8 4.966 4.134 -1.698 58 HB2 TYR 8 HB2 TYR 8 3.929 4.486 -4.544 59 HB3 TYR 8 HB3 TYR 8 2.875 4.311 -3.147 60 HD1 TYR 8 HD1 TYR 8 2.640 6.151 -1.505 61 HD2 TYR 8 HD2 TYR 8 5.188 6.577 -4.912 62 HE1 TYR 8 HE1 TYR 8 2.711 8.584 -1.143 63 HE2 TYR 8 HE2 TYR 8 5.269 9.008 -4.544 64 HH TYR 8 HH TYR 8 4.430 10.524 -1.790 65 H SER 9 H SER 9 5.590 2.182 -4.599 66 HA SER 9 HA SER 9 4.072 -0.112 -3.999 67 HB2 SER 9 HB2 SER 9 5.700 -1.322 -5.473 68 HB3 SER 9 HB3 SER 9 5.154 0.199 -6.181 69 HG SER 9 HG SER 9 7.458 -0.162 -6.304 70 H GLN 10 H GLN 10 7.453 0.660 -3.157 71 HA GLN 10 HA GLN 10 8.046 -1.526 -1.498 72 HB2 GLN 10 HB2 GLN 10 9.749 0.102 -2.297 73 HB3 GLN 10 HB3 GLN 10 9.032 1.350 -1.283 74 HG2 GLN 10 HG2 GLN 10 9.597 -0.112 0.729 75 HG3 GLN 10 HG3 GLN 10 10.521 -1.134 -0.373 76 HE21 GLN 10 HE21 GLN 10 10.382 1.953 1.232 77 HE22 GLN 10 HE22 GLN 10 12.011 2.424 0.903 78 H LEU 11 H LEU 11 6.574 1.615 -0.741 79 HA LEU 11 HA LEU 11 6.428 1.483 2.044 80 HB2 LEU 11 HB2 LEU 11 6.142 3.541 0.768 81 HB3 LEU 11 HB3 LEU 11 4.681 2.925 0.030 82 HG LEU 11 HG LEU 11 3.517 3.037 2.221 83 HD11 LEU 11 HD11 LEU 11 5.400 2.711 3.742 84 HD12 LEU 11 HD12 LEU 11 4.531 4.193 4.129 85 HD13 LEU 11 HD13 LEU 11 6.074 4.278 3.278 86 HD21 LEU 11 HD21 LEU 11 3.310 5.474 2.317 87 HD22 LEU 11 HD22 LEU 11 3.387 4.925 0.645 88 HD23 LEU 11 HD23 LEU 11 4.806 5.660 1.397 89 H VAL 12 H VAL 12 4.055 0.321 -0.373 90 HA VAL 12 HA VAL 12 2.043 -0.537 1.462 91 HB VAL 12 HB VAL 12 2.651 -1.540 -1.361 92 HG11 VAL 12 HG11 VAL 12 0.346 -2.482 -1.365 93 HG12 VAL 12 HG12 VAL 12 0.176 -2.059 0.340 94 HG13 VAL 12 HG13 VAL 12 1.371 -3.260 -0.155 95 HG21 VAL 12 HG21 VAL 12 2.032 0.850 -1.290 96 HG22 VAL 12 HG22 VAL 12 0.564 0.458 -0.393 97 HG23 VAL 12 HG23 VAL 12 0.757 -0.101 -2.056 98 H VAL 13 H VAL 13 4.736 -2.285 -0.097 99 HA VAL 13 HA VAL 13 4.389 -4.831 1.053 100 HB VAL 13 HB VAL 13 6.950 -3.469 0.100 101 HG11 VAL 13 HG11 VAL 13 6.512 -6.431 0.675 102 HG12 VAL 13 HG12 VAL 13 7.560 -5.342 1.583 103 HG13 VAL 13 HG13 VAL 13 7.946 -5.741 -0.091 104 HG21 VAL 13 HG21 VAL 13 6.603 -4.767 -1.987 105 HG22 VAL 13 HG22 VAL 13 5.238 -3.697 -1.664 106 HG23 VAL 13 HG23 VAL 13 5.100 -5.425 -1.331 107 H GLU 14 H GLU 14 6.129 -1.982 2.245 108 HA GLU 14 HA GLU 14 7.260 -3.074 4.599 109 HB2 GLU 14 HB2 GLU 14 6.510 -0.213 3.885 110 HB3 GLU 14 HB3 GLU 14 7.345 -0.645 5.374 111 HG2 GLU 14 HG2 GLU 14 9.233 -1.534 4.057 112 HG3 GLU 14 HG3 GLU 14 8.402 -1.089 2.566 113 H THR 15 H THR 15 4.213 -1.296 4.015 114 HA THR 15 HA THR 15 3.248 -1.119 6.631 115 HB THR 15 HB THR 15 1.745 -1.261 4.001 116 HG1 THR 15 HG1 THR 15 2.695 0.667 4.019 117 HG21 THR 15 HG21 THR 15 0.628 -0.582 6.734 118 HG22 THR 15 HG22 THR 15 0.155 -1.946 5.719 119 HG23 THR 15 HG23 THR 15 -0.199 -0.296 5.206 120 H ILE 16 H ILE 16 2.578 -3.660 4.202 121 HA ILE 16 HA ILE 16 0.907 -5.282 5.844 122 HB ILE 16 HB ILE 16 2.555 -6.076 3.401 123 HG12 ILE 16 HG12 ILE 16 -0.381 -5.233 3.532 124 HG13 ILE 16 HG13 ILE 16 0.928 -4.175 3.022 125 HG21 ILE 16 HG21 ILE 16 0.167 -7.498 4.641 126 HG22 ILE 16 HG22 ILE 16 1.839 -8.068 4.661 127 HG23 ILE 16 HG23 ILE 16 0.965 -7.953 3.134 128 HD11 ILE 16 HD11 ILE 16 1.365 -5.650 1.108 129 HD12 ILE 16 HD12 ILE 16 -0.289 -5.040 1.122 130 HD13 ILE 16 HD13 ILE 16 0.037 -6.697 1.621 131 H ARG 17 H ARG 17 4.395 -5.226 5.275 132 HA ARG 17 HA ARG 17 5.160 -7.545 6.718 133 HB2 ARG 17 HB2 ARG 17 6.675 -6.548 5.136 134 HB3 ARG 17 HB3 ARG 17 6.630 -4.997 5.964 135 HG2 ARG 17 HG2 ARG 17 7.877 -5.944 7.854 136 HG3 ARG 17 HG3 ARG 17 7.873 -7.530 7.077 137 HD2 ARG 17 HD2 ARG 17 9.247 -6.692 5.248 138 HD3 ARG 17 HD3 ARG 17 9.153 -5.045 5.889 139 HE ARG 17 HE ARG 17 10.279 -6.159 7.946 140 HH11 ARG 17 HH11 ARG 17 11.009 -6.985 4.662 141 HH12 ARG 17 HH12 ARG 17 12.651 -7.370 5.021 142 HH21 ARG 17 HH21 ARG 17 12.371 -6.648 8.362 143 HH22 ARG 17 HH22 ARG 17 13.408 -7.177 7.089 144 H ARG 18 H ARG 18 4.651 -4.190 7.755 145 HA ARG 18 HA ARG 18 5.729 -4.449 10.411 146 HB2 ARG 18 HB2 ARG 18 3.900 -2.339 9.191 147 HB3 ARG 18 HB3 ARG 18 4.635 -2.205 10.789 148 HG2 ARG 18 HG2 ARG 18 6.846 -2.075 9.857 149 HG3 ARG 18 HG3 ARG 18 6.264 -2.510 8.251 150 HD2 ARG 18 HD2 ARG 18 4.898 -0.354 8.288 151 HD3 ARG 18 HD3 ARG 18 5.797 0.088 9.747 152 HE ARG 18 HE ARG 18 7.573 -0.631 7.648 153 HH11 ARG 18 HH11 ARG 18 5.546 2.021 8.606 154 HH12 ARG 18 HH12 ARG 18 6.499 3.180 7.753 155 HH21 ARG 18 HH21 ARG 18 8.735 0.880 6.548 156 HH22 ARG 18 HH22 ARG 18 8.259 2.536 6.604 157 H LEU 19 H LEU 19 2.431 -4.328 9.091 158 HA LEU 19 HA LEU 19 1.061 -4.774 11.565 159 HB2 LEU 19 HB2 LEU 19 0.119 -5.081 8.681 160 HB3 LEU 19 HB3 LEU 19 -0.937 -5.139 10.086 161 HG LEU 19 HG LEU 19 0.727 -2.701 9.343 162 HD11 LEU 19 HD11 LEU 19 -1.364 -1.667 8.567 163 HD12 LEU 19 HD12 LEU 19 -2.211 -3.199 8.795 164 HD13 LEU 19 HD13 LEU 19 -0.922 -3.072 7.597 165 HD21 LEU 19 HD21 LEU 19 -1.509 -3.042 11.374 166 HD22 LEU 19 HD22 LEU 19 -0.706 -1.521 10.969 167 HD23 LEU 19 HD23 LEU 19 0.207 -2.818 11.732 168 H GLY 20 H GLY 20 2.388 -6.863 9.069 169 HA2 GLY 20 HA2 GLY 20 2.655 -9.160 8.966 170 HA3 GLY 20 HA3 GLY 20 1.931 -9.299 10.562 171 H GLU 21 H GLU 21 -0.445 -8.972 10.666 172 HA GLU 21 HA GLU 21 -2.547 -9.636 10.217 173 HB2 GLU 21 HB2 GLU 21 -1.874 -8.241 7.607 174 HB3 GLU 21 HB3 GLU 21 -3.514 -8.710 8.063 175 HG2 GLU 21 HG2 GLU 21 -1.715 -6.746 9.500 176 HG3 GLU 21 HG3 GLU 21 -3.122 -6.349 8.521 177 H ARG 22 H ARG 22 -2.701 -11.824 10.271 178 HA ARG 22 HA ARG 22 -1.691 -13.676 8.397 179 HB2 ARG 22 HB2 ARG 22 -3.088 -15.356 9.597 180 HB3 ARG 22 HB3 ARG 22 -2.149 -14.338 10.687 181 HG2 ARG 22 HG2 ARG 22 -4.179 -12.977 11.136 182 HG3 ARG 22 HG3 ARG 22 -5.111 -14.043 10.080 183 HD2 ARG 22 HD2 ARG 22 -4.615 -15.951 11.572 184 HD3 ARG 22 HD3 ARG 22 -3.686 -14.885 12.631 185 HE ARG 22 HE ARG 22 -5.845 -13.644 12.974 186 HH11 ARG 22 HH11 ARG 22 -5.943 -17.010 12.116 187 HH12 ARG 22 HH12 ARG 22 -7.464 -17.255 12.888 188 HH21 ARG 22 HH21 ARG 22 -7.785 -14.011 13.952 189 HH22 ARG 22 HH22 ARG 22 -8.482 -15.595 13.919 190 H ASN 23 H ASN 23 -4.582 -11.775 8.199 191 HA ASN 23 HA ASN 23 -5.472 -13.292 5.795 192 HB2 ASN 23 HB2 ASN 23 -7.209 -11.828 7.836 193 HB3 ASN 23 HB3 ASN 23 -7.811 -12.536 6.342 194 HD21 ASN 23 HD21 ASN 23 -6.167 -14.944 6.512 195 HD22 ASN 23 HD22 ASN 23 -6.845 -15.893 7.779 196 H GLY 24 H GLY 24 -3.696 -10.782 6.349 197 HA2 GLY 24 HA2 GLY 24 -3.044 -9.228 4.736 198 HA3 GLY 24 HA3 GLY 24 -4.582 -9.418 3.918 199 H SER 25 H SER 25 -3.236 -6.965 4.423 200 HA SER 25 HA SER 25 -4.838 -5.518 6.434 201 HB2 SER 25 HB2 SER 25 -2.506 -4.549 4.709 202 HB3 SER 25 HB3 SER 25 -3.250 -3.660 6.040 203 HG SER 25 HG SER 25 -2.240 -6.214 6.573 204 H SER 26 H SER 26 -6.679 -4.473 5.746 205 HA SER 26 HA SER 26 -7.491 -4.323 3.027 206 HB2 SER 26 HB2 SER 26 -8.582 -2.820 5.430 207 HB3 SER 26 HB3 SER 26 -9.393 -2.973 3.870 208 HG SER 26 HG SER 26 -8.941 -5.407 4.445 209 H LEU 27 H LEU 27 -8.188 -2.171 1.921 210 HA LEU 27 HA LEU 27 -5.868 -0.763 1.222 211 HB2 LEU 27 HB2 LEU 27 -7.769 -0.950 -0.302 212 HB3 LEU 27 HB3 LEU 27 -8.776 -0.005 0.779 213 HG LEU 27 HG LEU 27 -7.375 2.014 0.328 214 HD11 LEU 27 HD11 LEU 27 -5.892 0.281 -1.666 215 HD12 LEU 27 HD12 LEU 27 -5.235 0.959 -0.173 216 HD13 LEU 27 HD13 LEU 27 -5.724 2.030 -1.482 217 HD21 LEU 27 HD21 LEU 27 -9.394 1.639 -1.014 218 HD22 LEU 27 HD22 LEU 27 -8.453 0.729 -2.199 219 HD23 LEU 27 HD23 LEU 27 -8.142 2.450 -1.954 220 H ALA 28 H ALA 28 -8.569 0.386 3.299 221 HA ALA 28 HA ALA 28 -7.387 2.921 3.937 222 HB1 ALA 28 HB1 ALA 28 -9.155 3.103 5.641 223 HB2 ALA 28 HB2 ALA 28 -9.555 1.398 5.421 224 HB3 ALA 28 HB3 ALA 28 -9.805 2.540 4.100 225 H LYS 29 H LYS 29 -7.295 -0.259 5.511 226 HA LYS 29 HA LYS 29 -5.919 0.347 7.897 227 HB2 LYS 29 HB2 LYS 29 -7.055 -1.796 7.487 228 HB3 LYS 29 HB3 LYS 29 -5.966 -2.161 6.162 229 HG2 LYS 29 HG2 LYS 29 -5.306 -3.532 7.979 230 HG3 LYS 29 HG3 LYS 29 -4.079 -2.271 7.843 231 HD2 LYS 29 HD2 LYS 29 -5.063 -1.078 9.757 232 HD3 LYS 29 HD3 LYS 29 -6.371 -2.264 9.851 233 HE2 LYS 29 HE2 LYS 29 -4.695 -4.038 10.358 234 HE3 LYS 29 HE3 LYS 29 -3.417 -2.822 10.309 235 HZ1 LYS 29 HZ1 LYS 29 -5.692 -2.902 12.210 236 HZ2 LYS 29 HZ2 LYS 29 -4.513 -1.688 12.154 237 HZ3 LYS 29 HZ3 LYS 29 -4.079 -3.272 12.559 238 H ILE 30 H ILE 30 -4.738 -0.321 4.617 239 HA ILE 30 HA ILE 30 -1.945 -0.306 5.218 240 HB ILE 30 HB ILE 30 -3.444 -0.038 2.577 241 HG12 ILE 30 HG12 ILE 30 -1.805 -2.327 3.755 242 HG13 ILE 30 HG13 ILE 30 -3.561 -2.263 3.685 243 HG21 ILE 30 HG21 ILE 30 -0.430 -0.229 2.928 244 HG22 ILE 30 HG22 ILE 30 -1.318 1.157 2.292 245 HG23 ILE 30 HG23 ILE 30 -1.287 -0.358 1.391 246 HD11 ILE 30 HD11 ILE 30 -1.684 -2.444 1.324 247 HD12 ILE 30 HD12 ILE 30 -3.444 -2.342 1.226 248 HD13 ILE 30 HD13 ILE 30 -2.682 -3.737 1.989 249 H TYR 31 H TYR 31 -4.193 2.113 3.868 250 HA TYR 31 HA TYR 31 -2.504 4.239 3.339 251 HB2 TYR 31 HB2 TYR 31 -4.894 4.166 2.693 252 HB3 TYR 31 HB3 TYR 31 -5.371 4.330 4.379 253 HD1 TYR 31 HD2 TYR 31 -3.650 6.096 1.586 254 HD2 TYR 31 HD1 TYR 31 -5.594 6.521 5.366 255 HE1 TYR 31 HE2 TYR 31 -3.605 8.533 1.335 256 HE2 TYR 31 HE1 TYR 31 -5.558 8.968 5.108 257 HH TYR 31 HH TYR 31 -4.224 10.681 3.853 258 H THR 32 H THR 32 -4.071 3.433 6.417 259 HA THR 32 HA THR 32 -3.407 5.653 7.968 260 HB THR 32 HB THR 32 -3.747 2.765 8.878 261 HG1 THR 32 HG1 THR 32 -5.593 3.529 7.847 262 HG21 THR 32 HG21 THR 32 -3.940 5.325 10.512 263 HG22 THR 32 HG22 THR 32 -2.707 4.072 10.687 264 HG23 THR 32 HG23 THR 32 -4.391 3.718 11.083 265 H GLU 33 H GLU 33 -1.489 2.674 7.475 266 HA GLU 33 HA GLU 33 0.668 3.587 9.227 267 HB2 GLU 33 HB2 GLU 33 0.476 1.102 7.480 268 HB3 GLU 33 HB3 GLU 33 1.688 1.398 8.725 269 HG2 GLU 33 HG2 GLU 33 -1.293 1.049 9.173 270 HG3 GLU 33 HG3 GLU 33 -0.048 -0.156 9.494 271 H ALA 34 H ALA 34 -0.112 3.758 5.883 272 HA ALA 34 HA ALA 34 2.600 3.956 4.868 273 HB1 ALA 34 HB1 ALA 34 0.825 2.900 3.558 274 HB2 ALA 34 HB2 ALA 34 1.500 4.285 2.700 275 HB3 ALA 34 HB3 ALA 34 -0.065 4.423 3.507 276 H LYS 35 H LYS 35 0.096 6.228 5.874 277 HA LYS 35 HA LYS 35 1.197 8.537 4.532 278 HB2 LYS 35 HB2 LYS 35 -0.498 9.833 5.780 279 HB3 LYS 35 HB3 LYS 35 -1.199 8.428 4.984 280 HG2 LYS 35 HG2 LYS 35 -1.241 7.216 7.127 281 HG3 LYS 35 HG3 LYS 35 -0.496 8.599 7.933 282 HD2 LYS 35 HD2 LYS 35 -2.478 9.988 7.326 283 HD3 LYS 35 HD3 LYS 35 -3.231 8.572 6.589 284 HE2 LYS 35 HE2 LYS 35 -3.334 7.458 8.760 285 HE3 LYS 35 HE3 LYS 35 -2.452 8.787 9.519 286 HZ1 LYS 35 HZ1 LYS 35 -5.149 8.950 8.283 287 HZ2 LYS 35 HZ2 LYS 35 -4.297 10.258 8.935 288 HZ3 LYS 35 HZ3 LYS 35 -4.796 8.994 9.938 289 H LYS 36 H LYS 36 2.645 6.931 6.911 290 HA LYS 36 HA LYS 36 3.288 8.999 8.833 291 HB2 LYS 36 HB2 LYS 36 4.431 6.213 8.380 292 HB3 LYS 36 HB3 LYS 36 4.837 7.244 9.752 293 HG2 LYS 36 HG2 LYS 36 2.522 7.183 10.535 294 HG3 LYS 36 HG3 LYS 36 2.039 6.244 9.117 295 HD2 LYS 36 HD2 LYS 36 3.419 4.361 9.849 296 HD3 LYS 36 HD3 LYS 36 4.036 5.301 11.211 297 HE2 LYS 36 HE2 LYS 36 1.133 4.491 10.817 298 HE3 LYS 36 HE3 LYS 36 2.278 3.697 11.899 299 HZ1 LYS 36 HZ1 LYS 36 2.509 5.850 13.073 300 HZ2 LYS 36 HZ2 LYS 36 0.956 5.195 13.161 301 HZ3 LYS 36 HZ3 LYS 36 1.265 6.482 12.111 302 H VAL 37 H VAL 37 4.551 8.285 5.732 303 HA VAL 37 HA VAL 37 7.279 9.183 6.320 304 HB VAL 37 HB VAL 37 7.334 8.953 3.572 305 HG11 VAL 37 HG11 VAL 37 7.686 6.675 5.535 306 HG12 VAL 37 HG12 VAL 37 8.891 7.897 5.117 307 HG13 VAL 37 HG13 VAL 37 8.340 6.752 3.895 308 HG21 VAL 37 HG21 VAL 37 4.985 8.217 3.411 309 HG22 VAL 37 HG22 VAL 37 5.327 6.856 4.471 310 HG23 VAL 37 HG23 VAL 37 6.091 6.952 2.881 311 HA PRO 38 HA PRO 38 6.661 13.463 5.184 312 HB2 PRO 38 HB2 PRO 38 9.216 14.224 4.570 313 HB3 PRO 38 HB3 PRO 38 8.693 13.890 6.226 314 HG2 PRO 38 HG2 PRO 38 10.170 12.086 4.310 315 HG3 PRO 38 HG3 PRO 38 10.506 12.401 6.027 316 HD2 PRO 38 HD2 PRO 38 9.170 10.180 5.205 317 HD3 PRO 38 HD3 PRO 38 8.803 10.974 6.754 318 H TRP 39 H TRP 39 8.175 11.251 2.864 319 HA TRP 39 HA TRP 39 7.781 13.048 0.599 320 HB2 TRP 39 HB2 TRP 39 8.606 11.122 -0.788 321 HB3 TRP 39 HB3 TRP 39 9.732 11.647 0.453 322 HD1 TRP 39 HD1 TRP 39 10.428 9.879 2.288 323 HE1 TRP 39 HE1 TRP 39 10.050 7.363 2.556 324 HE3 TRP 39 HE3 TRP 39 6.746 9.218 -1.216 325 HZ2 TRP 39 HZ2 TRP 39 8.396 5.363 1.476 326 HZ3 TRP 39 HZ3 TRP 39 5.822 6.961 -1.515 327 HH2 TRP 39 HH2 TRP 39 6.631 5.078 -0.200 328 H PHE 40 H PHE 40 5.826 10.813 2.316 329 HA PHE 40 HA PHE 40 4.015 10.040 0.269 330 HB2 PHE 40 HB2 PHE 40 4.058 9.071 2.602 331 HB3 PHE 40 HB3 PHE 40 3.316 10.549 3.195 332 HD1 PHE 40 HD2 PHE 40 2.800 7.498 1.212 333 HD2 PHE 40 HD1 PHE 40 0.917 10.998 2.768 334 HE1 PHE 40 HE2 PHE 40 0.598 6.539 0.731 335 HE2 PHE 40 HE1 PHE 40 -1.292 10.027 2.280 336 HZ PHE 40 HZ PHE 40 -1.450 7.792 1.259 337 H ASP 41 H ASP 41 2.811 11.318 -0.954 338 HA ASP 41 HA ASP 41 2.232 14.072 -0.361 339 HB2 ASP 41 HB2 ASP 41 2.627 13.250 -2.683 340 HB3 ASP 41 HB3 ASP 41 1.163 12.275 -2.583 341 H GLN 42 H GLN 42 0.683 14.642 1.066 342 HA GLN 42 HA GLN 42 -1.308 12.921 2.128 343 HB2 GLN 42 HB2 GLN 42 -1.217 15.965 2.230 344 HB3 GLN 42 HB3 GLN 42 -2.129 14.923 3.312 345 HG2 GLN 42 HG2 GLN 42 0.903 15.069 3.133 346 HG3 GLN 42 HG3 GLN 42 -0.097 15.821 4.374 347 HE21 GLN 42 HE21 GLN 42 1.277 12.827 3.235 348 HE22 GLN 42 HE22 GLN 42 0.878 11.890 4.630 349 H GLN 43 H GLN 43 -1.286 14.756 -0.770 350 HA GLN 43 HA GLN 43 -4.187 15.020 -1.069 351 HB2 GLN 43 HB2 GLN 43 -1.953 15.677 -3.036 352 HB3 GLN 43 HB3 GLN 43 -3.631 16.214 -3.133 353 HG2 GLN 43 HG2 GLN 43 -3.360 17.648 -1.208 354 HG3 GLN 43 HG3 GLN 43 -1.755 16.993 -0.872 355 HE21 GLN 43 HE21 GLN 43 -0.033 17.532 -2.310 356 HE22 GLN 43 HE22 GLN 43 -0.111 18.948 -3.294 357 H ASN 44 H ASN 44 -1.650 13.697 -3.270 358 HA ASN 44 HA ASN 44 -3.650 11.895 -4.500 359 HB2 ASN 44 HB2 ASN 44 -0.909 12.758 -5.536 360 HB3 ASN 44 HB3 ASN 44 -2.109 11.830 -6.435 361 HD21 ASN 44 HD21 ASN 44 -1.273 14.974 -5.190 362 HD22 ASN 44 HD22 ASN 44 -2.445 15.867 -6.086 363 H GLY 45 H GLY 45 -1.515 11.563 -2.061 364 HA2 GLY 45 HA2 GLY 45 0.163 9.393 -2.752 365 HA3 GLY 45 HA3 GLY 45 -0.288 9.870 -1.123 366 H ARG 46 H ARG 46 -3.158 9.435 -1.445 367 HA ARG 46 HA ARG 46 -3.430 6.676 -0.899 368 HB2 ARG 46 HB2 ARG 46 -5.089 8.451 -0.210 369 HB3 ARG 46 HB3 ARG 46 -5.645 8.522 -1.879 370 HG2 ARG 46 HG2 ARG 46 -6.294 6.110 -1.735 371 HG3 ARG 46 HG3 ARG 46 -5.791 6.096 -0.043 372 HD2 ARG 46 HD2 ARG 46 -8.196 6.332 -0.159 373 HD3 ARG 46 HD3 ARG 46 -7.504 7.841 0.440 374 HE ARG 46 HE ARG 46 -7.833 7.958 -2.373 375 HH11 ARG 46 HH11 ARG 46 -9.738 8.113 0.523 376 HH12 ARG 46 HH12 ARG 46 -10.986 9.029 -0.236 377 HH21 ARG 46 HH21 ARG 46 -9.434 9.106 -3.306 378 HH22 ARG 46 HH22 ARG 46 -10.817 9.583 -2.386 379 H THR 47 H THR 47 -3.942 8.533 -3.891 380 HA THR 47 HA THR 47 -4.886 6.469 -5.578 381 HB THR 47 HB THR 47 -3.262 8.936 -6.362 382 HG1 THR 47 HG1 THR 47 -5.287 9.901 -6.671 383 HG21 THR 47 HG21 THR 47 -5.107 7.212 -8.065 384 HG22 THR 47 HG22 THR 47 -3.348 7.304 -8.214 385 HG23 THR 47 HG23 THR 47 -4.341 8.715 -8.579 386 H TYR 48 H TYR 48 -1.599 7.634 -4.866 387 HA TYR 48 HA TYR 48 -0.178 5.954 -6.646 388 HB2 TYR 48 HB2 TYR 48 0.721 7.286 -4.060 389 HB3 TYR 48 HB3 TYR 48 1.814 6.480 -5.179 390 HD1 TYR 48 HD1 TYR 48 0.764 7.427 -7.813 391 HD2 TYR 48 HD2 TYR 48 1.389 9.571 -4.164 392 HE1 TYR 48 HE1 TYR 48 1.070 9.505 -9.079 393 HE2 TYR 48 HE2 TYR 48 1.685 11.651 -5.440 394 HH TYR 48 HH TYR 48 2.323 12.349 -7.682 395 H LEU 49 H LEU 49 -1.127 5.470 -3.219 396 HA LEU 49 HA LEU 49 0.085 2.928 -2.835 397 HB2 LEU 49 HB2 LEU 49 -2.449 4.044 -1.577 398 HB3 LEU 49 HB3 LEU 49 -1.608 2.605 -1.020 399 HG LEU 49 HG LEU 49 -0.544 5.451 -0.920 400 HD11 LEU 49 HD11 LEU 49 -2.329 5.026 0.704 401 HD12 LEU 49 HD12 LEU 49 -0.777 5.227 1.510 402 HD13 LEU 49 HD13 LEU 49 -1.464 3.611 1.316 403 HD21 LEU 49 HD21 LEU 49 0.764 2.882 0.049 404 HD22 LEU 49 HD22 LEU 49 1.367 4.520 0.323 405 HD23 LEU 49 HD23 LEU 49 1.293 3.876 -1.314 406 H LYS 50 H LYS 50 -3.199 3.847 -3.798 407 HA LYS 50 HA LYS 50 -4.418 1.335 -3.960 408 HB2 LYS 50 HB2 LYS 50 -5.473 3.636 -3.824 409 HB3 LYS 50 HB3 LYS 50 -5.108 3.862 -5.523 410 HG2 LYS 50 HG2 LYS 50 -6.858 1.583 -4.573 411 HG3 LYS 50 HG3 LYS 50 -7.511 3.202 -4.813 412 HD2 LYS 50 HD2 LYS 50 -6.634 3.077 -7.204 413 HD3 LYS 50 HD3 LYS 50 -6.277 1.375 -6.903 414 HE2 LYS 50 HE2 LYS 50 -9.012 2.699 -6.811 415 HE3 LYS 50 HE3 LYS 50 -8.423 1.570 -8.031 416 HZ1 LYS 50 HZ1 LYS 50 -9.817 0.398 -6.525 417 HZ2 LYS 50 HZ2 LYS 50 -8.977 0.979 -5.176 418 HZ3 LYS 50 HZ3 LYS 50 -8.229 -0.106 -6.235 419 H TYR 51 H TYR 51 -2.682 3.215 -6.418 420 HA TYR 51 HA TYR 51 -3.061 1.308 -8.543 421 HB2 TYR 51 HB2 TYR 51 -1.864 3.993 -8.317 422 HB3 TYR 51 HB3 TYR 51 -0.882 2.941 -9.328 423 HD1 TYR 51 HD1 TYR 51 -2.204 1.553 -11.131 424 HD2 TYR 51 HD2 TYR 51 -3.675 5.142 -9.340 425 HE1 TYR 51 HE1 TYR 51 -3.737 1.852 -13.020 426 HE2 TYR 51 HE2 TYR 51 -5.224 5.449 -11.231 427 HH TYR 51 HH TYR 51 -5.904 3.000 -13.477 428 H SER 52 H SER 52 -0.437 1.959 -6.214 429 HA SER 52 HA SER 52 1.490 0.149 -7.268 430 HB2 SER 52 HB2 SER 52 1.019 1.088 -4.411 431 HB3 SER 52 HB3 SER 52 2.402 0.103 -4.890 432 HG SER 52 HG SER 52 1.785 2.572 -6.127 433 H ILE 53 H ILE 53 -1.150 -0.310 -4.960 434 HA ILE 53 HA ILE 53 -0.696 -3.003 -4.285 435 HB ILE 53 HB ILE 53 -3.259 -1.352 -4.238 436 HG12 ILE 53 HG12 ILE 53 -1.387 -2.194 -1.977 437 HG13 ILE 53 HG13 ILE 53 -1.424 -0.597 -2.711 438 HG21 ILE 53 HG21 ILE 53 -4.235 -3.089 -2.772 439 HG22 ILE 53 HG22 ILE 53 -2.818 -4.107 -3.040 440 HG23 ILE 53 HG23 ILE 53 -3.888 -3.713 -4.386 441 HD11 ILE 53 HD11 ILE 53 -2.552 -0.601 -0.576 442 HD12 ILE 53 HD12 ILE 53 -3.646 -1.874 -1.117 443 HD13 ILE 53 HD13 ILE 53 -3.706 -0.277 -1.869 444 H LYS 54 H LYS 54 -3.003 -1.566 -6.652 445 HA LYS 54 HA LYS 54 -4.062 -3.967 -7.653 446 HB2 LYS 54 HB2 LYS 54 -5.129 -1.777 -7.979 447 HB3 LYS 54 HB3 LYS 54 -3.807 -1.247 -9.001 448 HG2 LYS 54 HG2 LYS 54 -5.445 -3.648 -9.821 449 HG3 LYS 54 HG3 LYS 54 -6.104 -2.030 -10.049 450 HD2 LYS 54 HD2 LYS 54 -4.251 -1.418 -11.509 451 HD3 LYS 54 HD3 LYS 54 -3.427 -2.944 -11.181 452 HE2 LYS 54 HE2 LYS 54 -4.490 -3.060 -13.361 453 HE3 LYS 54 HE3 LYS 54 -5.320 -4.158 -12.257 454 HZ1 LYS 54 HZ1 LYS 54 -7.046 -2.490 -11.967 455 HZ2 LYS 54 HZ2 LYS 54 -6.878 -2.912 -13.595 456 HZ3 LYS 54 HZ3 LYS 54 -6.252 -1.447 -13.035 457 H ALA 55 H ALA 55 -1.312 -2.039 -8.787 458 HA ALA 55 HA ALA 55 -0.684 -3.514 -11.116 459 HB1 ALA 55 HB1 ALA 55 1.156 -1.831 -9.387 460 HB2 ALA 55 HB2 ALA 55 0.138 -1.232 -10.700 461 HB3 ALA 55 HB3 ALA 55 1.471 -2.337 -11.050 462 H LEU 56 H LEU 56 0.480 -3.841 -7.752 463 HA LEU 56 HA LEU 56 2.281 -6.012 -8.328 464 HB2 LEU 56 HB2 LEU 56 1.219 -4.933 -5.704 465 HB3 LEU 56 HB3 LEU 56 2.413 -6.217 -5.811 466 HG LEU 56 HG LEU 56 2.790 -3.348 -6.762 467 HD11 LEU 56 HD11 LEU 56 4.418 -3.150 -4.933 468 HD12 LEU 56 HD12 LEU 56 4.032 -4.788 -4.399 469 HD13 LEU 56 HD13 LEU 56 2.804 -3.523 -4.327 470 HD21 LEU 56 HD21 LEU 56 4.020 -4.888 -8.224 471 HD22 LEU 56 HD22 LEU 56 4.787 -5.638 -6.821 472 HD23 LEU 56 HD23 LEU 56 5.129 -3.953 -7.222 473 H VAL 57 H VAL 57 -1.122 -5.839 -7.349 474 HA VAL 57 HA VAL 57 -1.464 -8.615 -6.702 475 HB VAL 57 HB VAL 57 -3.506 -6.511 -7.557 476 HG11 VAL 57 HG11 VAL 57 -4.069 -9.346 -6.609 477 HG12 VAL 57 HG12 VAL 57 -4.388 -8.709 -8.222 478 HG13 VAL 57 HG13 VAL 57 -5.288 -8.091 -6.838 479 HG21 VAL 57 HG21 VAL 57 -2.992 -7.767 -4.832 480 HG22 VAL 57 HG22 VAL 57 -4.212 -6.541 -5.191 481 HG23 VAL 57 HG23 VAL 57 -2.498 -6.145 -5.319 482 H GLN 58 H GLN 58 -1.805 -6.701 -9.659 483 HA GLN 58 HA GLN 58 -2.674 -8.687 -11.465 484 HB2 GLN 58 HB2 GLN 58 -2.657 -6.133 -11.734 485 HB3 GLN 58 HB3 GLN 58 -0.948 -6.252 -12.101 486 HG2 GLN 58 HG2 GLN 58 -3.011 -7.721 -13.738 487 HG3 GLN 58 HG3 GLN 58 -2.651 -6.027 -14.035 488 HE21 GLN 58 HE21 GLN 58 -0.600 -5.470 -14.866 489 HE22 GLN 58 HE22 GLN 58 0.388 -6.630 -15.673 490 H ASN 59 H ASN 59 0.554 -7.701 -10.377 491 HA ASN 59 HA ASN 59 1.980 -9.573 -12.105 492 HB2 ASN 59 HB2 ASN 59 2.923 -7.667 -9.924 493 HB3 ASN 59 HB3 ASN 59 4.007 -8.677 -10.875 494 HD21 ASN 59 HD21 ASN 59 5.080 -6.842 -11.641 495 HD22 ASN 59 HD22 ASN 59 4.383 -5.811 -12.836 496 H ASP 60 H ASP 60 0.220 -10.109 -9.378 497 HA ASP 60 HA ASP 60 0.138 -11.595 -7.687 498 HB2 ASP 60 HB2 ASP 60 1.834 -13.121 -9.682 499 HB3 ASP 60 HB3 ASP 60 1.378 -13.849 -8.146 500 H THR 61 H THR 61 2.300 -9.564 -7.567 501 HA THR 61 HA THR 61 4.172 -10.636 -5.631 502 HB THR 61 HB THR 61 3.444 -7.737 -6.256 503 HG1 THR 61 HG1 THR 61 5.347 -9.525 -7.347 504 HG21 THR 61 HG21 THR 61 4.567 -7.934 -4.053 505 HG22 THR 61 HG22 THR 61 5.609 -7.140 -5.236 506 HG23 THR 61 HG23 THR 61 5.888 -8.829 -4.806 507 H LEU 62 H LEU 62 1.001 -9.067 -5.648 508 HA LEU 62 HA LEU 62 0.728 -9.527 -2.729 509 HB2 LEU 62 HB2 LEU 62 -0.693 -7.415 -4.410 510 HB3 LEU 62 HB3 LEU 62 -0.993 -7.723 -2.706 511 HG LEU 62 HG LEU 62 1.558 -6.579 -3.913 512 HD11 LEU 62 HD11 LEU 62 0.972 -4.537 -2.683 513 HD12 LEU 62 HD12 LEU 62 -0.518 -5.290 -2.107 514 HD13 LEU 62 HD13 LEU 62 -0.293 -4.974 -3.830 515 HD21 LEU 62 HD21 LEU 62 2.358 -6.301 -1.594 516 HD22 LEU 62 HD22 LEU 62 2.162 -7.996 -2.029 517 HD23 LEU 62 HD23 LEU 62 0.960 -7.207 -1.004 518 H LEU 63 H LEU 63 -1.228 -10.370 -1.990 519 HA LEU 63 HA LEU 63 -3.011 -11.729 -3.917 520 HB2 LEU 63 HB2 LEU 63 -2.448 -12.210 -0.965 521 HB3 LEU 63 HB3 LEU 63 -3.739 -13.028 -1.831 522 HG LEU 63 HG LEU 63 -0.789 -13.263 -2.547 523 HD11 LEU 63 HD11 LEU 63 -2.512 -15.231 -1.006 524 HD12 LEU 63 HD12 LEU 63 -1.187 -14.267 -0.349 525 HD13 LEU 63 HD13 LEU 63 -0.854 -15.506 -1.556 526 HD21 LEU 63 HD21 LEU 63 -3.199 -14.828 -3.540 527 HD22 LEU 63 HD22 LEU 63 -1.514 -15.141 -3.967 528 HD23 LEU 63 HD23 LEU 63 -2.278 -13.633 -4.461 529 H GLN 64 H GLN 64 -5.059 -10.945 -4.165 530 HA GLN 64 HA GLN 64 -6.130 -8.912 -2.383 531 HB2 GLN 64 HB2 GLN 64 -8.017 -8.782 -4.003 532 HB3 GLN 64 HB3 GLN 64 -6.447 -8.575 -4.765 533 HG2 GLN 64 HG2 GLN 64 -6.542 -10.905 -5.588 534 HG3 GLN 64 HG3 GLN 64 -8.124 -11.100 -4.844 535 HE21 GLN 64 HE21 GLN 64 -6.407 -9.833 -7.566 536 HE22 GLN 64 HE22 GLN 64 -7.784 -9.284 -8.445 537 H VAL 65 H VAL 65 -6.687 -9.763 -0.457 538 HA VAL 65 HA VAL 65 -8.215 -12.243 -0.161 539 HB VAL 65 HB VAL 65 -7.380 -10.285 2.024 540 HG11 VAL 65 HG11 VAL 65 -7.702 -12.194 3.575 541 HG12 VAL 65 HG12 VAL 65 -8.265 -13.191 2.232 542 HG13 VAL 65 HG13 VAL 65 -9.202 -11.784 2.735 543 HG21 VAL 65 HG21 VAL 65 -5.390 -11.111 0.837 544 HG22 VAL 65 HG22 VAL 65 -5.918 -12.777 1.077 545 HG23 VAL 65 HG23 VAL 65 -5.469 -11.785 2.467 546 H LYS 66 H LYS 66 -10.240 -11.947 -0.917 547 HA LYS 66 HA LYS 66 -11.793 -9.526 -0.246 548 HB2 LYS 66 HB2 LYS 66 -13.162 -10.071 -2.176 549 HB3 LYS 66 HB3 LYS 66 -11.468 -10.121 -2.648 550 HG2 LYS 66 HG2 LYS 66 -11.617 -12.674 -2.264 551 HG3 LYS 66 HG3 LYS 66 -13.364 -12.442 -2.218 552 HD2 LYS 66 HD2 LYS 66 -12.734 -13.120 -4.452 553 HD3 LYS 66 HD3 LYS 66 -13.246 -11.432 -4.508 554 HE2 LYS 66 HE2 LYS 66 -10.891 -10.710 -4.542 555 HE3 LYS 66 HE3 LYS 66 -10.361 -12.389 -4.425 556 HZ1 LYS 66 HZ1 LYS 66 -11.924 -11.235 -6.667 557 HZ2 LYS 66 HZ2 LYS 66 -11.358 -12.826 -6.564 558 HZ3 LYS 66 HZ3 LYS 66 -10.261 -11.544 -6.684 559 H GLY 67 H GLY 67 -14.136 -9.795 0.196 560 HA2 GLY 67 HA2 GLY 67 -15.963 -10.702 1.257 561 HA3 GLY 67 HA3 GLY 67 -15.295 -12.293 0.960 562 H THR 68 H THR 68 -13.033 -10.475 2.667 563 HA THR 68 HA THR 68 -13.484 -12.025 5.079 564 HB THR 68 HB THR 68 -11.192 -11.902 4.384 565 HG1 THR 68 HG1 THR 68 -10.247 -10.999 6.297 566 HG21 THR 68 HG21 THR 68 -11.205 -9.816 3.077 567 HG22 THR 68 HG22 THR 68 -9.894 -9.808 4.258 568 HG23 THR 68 HG23 THR 68 -11.358 -8.869 4.561 569 H GLY 69 H GLY 69 -13.414 -8.503 4.291 570 HA2 GLY 69 HA2 GLY 69 -15.166 -7.875 6.513 571 HA3 GLY 69 HA3 GLY 69 -13.503 -7.369 6.775 572 H ALA 70 H ALA 70 -15.698 -7.307 3.964 573 HA ALA 70 HA ALA 70 -16.724 -5.696 2.775 574 HB1 ALA 70 HB1 ALA 70 -17.243 -3.531 3.750 575 HB2 ALA 70 HB2 ALA 70 -16.024 -3.782 5.006 576 HB3 ALA 70 HB3 ALA 70 -17.451 -4.816 4.944 577 H ASN 71 H ASN 71 -14.036 -3.778 4.157 578 HA ASN 71 HA ASN 71 -13.630 -2.084 2.002 579 HB2 ASN 71 HB2 ASN 71 -12.814 -1.818 4.390 580 HB3 ASN 71 HB3 ASN 71 -11.505 -2.930 4.015 581 HD21 ASN 71 HD21 ASN 71 -12.782 0.270 3.511 582 HD22 ASN 71 HD22 ASN 71 -11.350 0.954 2.837 583 H GLY 72 H GLY 72 -12.195 -5.271 2.522 584 HA2 GLY 72 HA2 GLY 72 -11.366 -6.679 0.807 585 HA3 GLY 72 HA3 GLY 72 -11.045 -5.276 -0.193 586 H SER 73 H SER 73 -9.632 -7.618 1.754 587 HA SER 73 HA SER 73 -7.418 -5.988 2.770 588 HB2 SER 73 HB2 SER 73 -8.096 -8.924 3.154 589 HB3 SER 73 HB3 SER 73 -6.667 -8.152 3.840 590 HG SER 73 HG SER 73 -8.037 -7.832 5.427 591 H PHE 74 H PHE 74 -5.181 -6.546 2.414 592 HA PHE 74 HA PHE 74 -4.494 -8.000 -0.056 593 HB2 PHE 74 HB2 PHE 74 -3.559 -5.147 0.533 594 HB3 PHE 74 HB3 PHE 74 -3.105 -6.114 -0.866 595 HD1 PHE 74 HD1 PHE 74 -5.049 -6.891 -2.436 596 HD2 PHE 74 HD2 PHE 74 -5.403 -3.665 0.360 597 HE1 PHE 74 HE1 PHE 74 -6.982 -6.015 -3.678 598 HE2 PHE 74 HE2 PHE 74 -7.340 -2.801 -0.894 599 HZ PHE 74 HZ PHE 74 -8.128 -3.976 -2.912 600 H LYS 75 H LYS 75 -2.539 -9.031 0.082 601 HA LYS 75 HA LYS 75 -0.703 -8.498 2.330 602 HB2 LYS 75 HB2 LYS 75 -0.587 -10.974 2.828 603 HB3 LYS 75 HB3 LYS 75 -2.084 -10.188 3.300 604 HG2 LYS 75 HG2 LYS 75 -3.326 -11.210 1.572 605 HG3 LYS 75 HG3 LYS 75 -1.881 -11.655 0.665 606 HD2 LYS 75 HD2 LYS 75 -3.064 -13.572 1.847 607 HD3 LYS 75 HD3 LYS 75 -1.343 -13.418 2.191 608 HE2 LYS 75 HE2 LYS 75 -1.982 -12.232 4.336 609 HE3 LYS 75 HE3 LYS 75 -3.665 -12.639 3.985 610 HZ1 LYS 75 HZ1 LYS 75 -1.468 -14.618 4.239 611 HZ2 LYS 75 HZ2 LYS 75 -3.117 -14.952 4.061 612 HZ3 LYS 75 HZ3 LYS 75 -2.551 -14.221 5.474 613 H LEU 76 H LEU 76 1.306 -9.941 2.166 614 HA LEU 76 HA LEU 76 2.435 -9.725 -0.481 615 HB2 LEU 76 HB2 LEU 76 3.656 -11.044 1.974 616 HB3 LEU 76 HB3 LEU 76 4.515 -10.516 0.535 617 HG LEU 76 HG LEU 76 3.143 -8.670 2.541 618 HD11 LEU 76 HD11 LEU 76 5.129 -9.708 3.512 619 HD12 LEU 76 HD12 LEU 76 5.396 -7.990 3.231 620 HD13 LEU 76 HD13 LEU 76 6.105 -9.183 2.138 621 HD21 LEU 76 HD21 LEU 76 4.248 -6.820 1.339 622 HD22 LEU 76 HD22 LEU 76 3.106 -7.679 0.313 623 HD23 LEU 76 HD23 LEU 76 4.838 -7.957 0.123 624 H ASN 77 H ASN 77 2.474 -11.267 -2.031 625 HA ASN 77 HA ASN 77 1.399 -13.921 -1.659 626 HB2 ASN 77 HB2 ASN 77 1.426 -12.339 -3.807 627 HB3 ASN 77 HB3 ASN 77 2.976 -13.097 -4.117 628 HD21 ASN 77 HD21 ASN 77 0.768 -13.245 -5.826 629 HD22 ASN 77 HD22 ASN 77 0.225 -14.876 -5.908 630 H ARG 78 H ARG 78 3.007 -15.669 -2.983 631 HA ARG 78 HA ARG 78 5.278 -16.041 -1.183 632 HB2 ARG 78 HB2 ARG 78 4.131 -17.940 -3.268 633 HB3 ARG 78 HB3 ARG 78 5.245 -18.355 -1.973 634 HG2 ARG 78 HG2 ARG 78 2.373 -17.434 -1.582 635 HG3 ARG 78 HG3 ARG 78 2.919 -19.107 -1.537 636 HD2 ARG 78 HD2 ARG 78 2.683 -18.435 0.731 637 HD3 ARG 78 HD3 ARG 78 4.419 -18.440 0.422 638 HE ARG 78 HE ARG 78 3.528 -15.848 -0.022 639 HH11 ARG 78 HH11 ARG 78 3.626 -17.967 2.703 640 HH12 ARG 78 HH12 ARG 78 3.790 -16.663 3.826 641 HH21 ARG 78 HH21 ARG 78 3.751 -14.217 1.418 642 HH22 ARG 78 HH22 ARG 78 3.866 -14.570 3.109 643 H LYS 79 H LYS 79 6.913 -17.659 -2.803 644 HA LYS 79 HA LYS 79 8.503 -15.528 -4.036 645 HB2 LYS 79 HB2 LYS 79 9.169 -17.324 -2.243 646 HB3 LYS 79 HB3 LYS 79 9.326 -18.413 -3.609 647 HG2 LYS 79 HG2 LYS 79 11.178 -17.212 -4.491 648 HG3 LYS 79 HG3 LYS 79 10.836 -15.793 -3.494 649 HD2 LYS 79 HD2 LYS 79 11.422 -17.114 -1.451 650 HD3 LYS 79 HD3 LYS 79 11.805 -18.498 -2.474 651 HE2 LYS 79 HE2 LYS 79 13.232 -15.827 -2.685 652 HE3 LYS 79 HE3 LYS 79 13.797 -17.151 -1.668 653 HZ1 LYS 79 HZ1 LYS 79 13.419 -17.292 -4.608 654 HZ2 LYS 79 HZ2 LYS 79 14.001 -18.535 -3.625 655 HZ3 LYS 79 HZ3 LYS 79 14.898 -17.116 -3.819 656 H LYS 80 H LYS 80 6.343 -16.041 -5.651 657 HA LYS 80 HA LYS 80 6.735 -17.738 -7.862 658 HB2 LYS 80 HB2 LYS 80 5.259 -15.082 -7.626 659 HB3 LYS 80 HB3 LYS 80 5.279 -16.016 -9.118 660 HG2 LYS 80 HG2 LYS 80 4.247 -17.930 -7.840 661 HG3 LYS 80 HG3 LYS 80 4.078 -16.839 -6.459 662 HD2 LYS 80 HD2 LYS 80 2.623 -15.361 -7.747 663 HD3 LYS 80 HD3 LYS 80 2.880 -16.317 -9.210 664 HE2 LYS 80 HE2 LYS 80 1.760 -18.247 -8.113 665 HE3 LYS 80 HE3 LYS 80 1.465 -17.249 -6.688 666 HZ1 LYS 80 HZ1 LYS 80 -0.471 -17.363 -8.121 667 HZ2 LYS 80 HZ2 LYS 80 0.413 -16.722 -9.411 668 HZ3 LYS 80 HZ3 LYS 80 0.118 -15.779 -8.045 669 H LEU 81 H LEU 81 8.411 -14.915 -6.970 670 HA LEU 81 HA LEU 81 9.345 -13.620 -9.166 671 HB2 LEU 81 HB2 LEU 81 10.881 -14.510 -6.699 672 HB3 LEU 81 HB3 LEU 81 11.458 -13.289 -7.806 673 HG LEU 81 HG LEU 81 8.945 -13.064 -6.106 674 HD11 LEU 81 HD11 LEU 81 11.622 -11.666 -5.787 675 HD12 LEU 81 HD12 LEU 81 10.969 -12.929 -4.739 676 HD13 LEU 81 HD13 LEU 81 10.170 -11.363 -4.828 677 HD21 LEU 81 HD21 LEU 81 10.208 -11.012 -7.959 678 HD22 LEU 81 HD22 LEU 81 8.847 -10.719 -6.872 679 HD23 LEU 81 HD23 LEU 81 8.673 -11.848 -8.212 680 H GLU 82 H GLU 82 11.097 -16.414 -7.757 681 HA GLU 82 HA GLU 82 11.815 -17.479 -10.377 682 HB2 GLU 82 HB2 GLU 82 14.333 -17.596 -9.484 683 HB3 GLU 82 HB3 GLU 82 13.742 -16.182 -10.336 684 HG2 GLU 82 HG2 GLU 82 15.139 -15.616 -8.368 685 HG3 GLU 82 HG3 GLU 82 13.521 -14.931 -8.278 686 H GLY 83 H GLY 83 10.983 -17.961 -7.152 687 HA2 GLY 83 HA2 GLY 83 10.446 -19.930 -6.059 688 HA3 GLY 83 HA3 GLY 83 11.169 -20.850 -7.369 Start of MODEL 3 1 H1 SER 1 H1 SER 1 8.979 -0.475 -22.352 2 H2 SER 1 H2 SER 1 9.256 -0.354 -20.692 3 H3 SER 1 H3 SER 1 10.033 0.704 -21.753 4 HA SER 1 HA SER 1 7.946 1.677 -22.394 5 HB2 SER 1 HB2 SER 1 5.864 1.064 -21.083 6 HB3 SER 1 HB3 SER 1 6.467 -0.243 -22.102 7 HG SER 1 HG SER 1 5.971 -1.048 -20.053 8 H HIS 2 H HIS 2 7.867 0.814 -18.887 9 HA HIS 2 HA HIS 2 9.140 3.293 -18.088 10 HB2 HIS 2 HB2 HIS 2 6.688 3.903 -18.574 11 HB3 HIS 2 HB3 HIS 2 6.242 2.893 -17.208 12 HD1 HIS 2 HD1 HIS 2 5.761 6.017 -17.475 13 HD2 HIS 2 HD2 HIS 2 8.797 4.232 -15.268 14 HE1 HIS 2 HE1 HIS 2 6.365 7.682 -15.708 15 HE2 HIS 2 HE2 HIS 2 8.337 6.666 -14.533 16 H MET 3 H MET 3 10.569 1.667 -17.215 17 HA MET 3 HA MET 3 9.688 0.306 -14.766 18 HB2 MET 3 HB2 MET 3 11.218 -0.898 -16.320 19 HB3 MET 3 HB3 MET 3 12.425 0.363 -16.121 20 HG2 MET 3 HG2 MET 3 11.420 -1.338 -13.822 21 HG3 MET 3 HG3 MET 3 12.822 -1.760 -14.805 22 HE1 MET 3 HE1 MET 3 12.798 -1.365 -11.544 23 HE2 MET 3 HE2 MET 3 14.339 -0.535 -11.330 24 HE3 MET 3 HE3 MET 3 14.217 -1.899 -12.443 25 H GLN 4 H GLN 4 9.826 1.293 -12.846 26 HA GLN 4 HA GLN 4 11.898 3.330 -12.319 27 HB2 GLN 4 HB2 GLN 4 10.285 4.852 -11.284 28 HB3 GLN 4 HB3 GLN 4 9.803 4.537 -12.948 29 HG2 GLN 4 HG2 GLN 4 8.045 3.014 -12.197 30 HG3 GLN 4 HG3 GLN 4 8.574 3.187 -10.521 31 HE21 GLN 4 HE21 GLN 4 6.901 4.738 -13.160 32 HE22 GLN 4 HE22 GLN 4 6.216 6.018 -12.225 33 HA PRO 5 HA PRO 5 11.893 1.259 -8.239 34 HB2 PRO 5 HB2 PRO 5 12.966 3.730 -7.000 35 HB3 PRO 5 HB3 PRO 5 13.756 2.164 -7.211 36 HG2 PRO 5 HG2 PRO 5 14.518 4.364 -8.613 37 HG3 PRO 5 HG3 PRO 5 14.632 2.726 -9.287 38 HD2 PRO 5 HD2 PRO 5 12.502 4.824 -9.763 39 HD3 PRO 5 HD3 PRO 5 13.333 3.771 -10.935 40 H GLY 6 H GLY 6 9.546 1.309 -8.301 41 HA2 GLY 6 HA2 GLY 6 7.896 3.463 -7.505 42 HA3 GLY 6 HA3 GLY 6 7.450 1.767 -7.486 43 H LYS 7 H LYS 7 8.719 4.414 -5.609 44 HA LYS 7 HA LYS 7 9.464 2.964 -3.282 45 HB2 LYS 7 HB2 LYS 7 10.227 5.311 -4.042 46 HB3 LYS 7 HB3 LYS 7 8.728 5.913 -3.344 47 HG2 LYS 7 HG2 LYS 7 9.410 5.038 -1.128 48 HG3 LYS 7 HG3 LYS 7 10.914 4.434 -1.830 49 HD2 LYS 7 HD2 LYS 7 10.059 7.355 -1.647 50 HD3 LYS 7 HD3 LYS 7 11.276 6.564 -0.642 51 HE2 LYS 7 HE2 LYS 7 12.664 6.165 -2.674 52 HE3 LYS 7 HE3 LYS 7 11.451 7.004 -3.648 53 HZ1 LYS 7 HZ1 LYS 7 11.845 8.979 -2.265 54 HZ2 LYS 7 HZ2 LYS 7 13.213 8.486 -3.123 55 HZ3 LYS 7 HZ3 LYS 7 13.092 8.160 -1.471 56 H TYR 8 H TYR 8 6.409 4.504 -4.263 57 HA TYR 8 HA TYR 8 4.933 4.123 -1.858 58 HB2 TYR 8 HB2 TYR 8 4.058 4.347 -4.762 59 HB3 TYR 8 HB3 TYR 8 2.891 4.097 -3.468 60 HD1 TYR 8 HD1 TYR 8 2.529 5.862 -1.742 61 HD2 TYR 8 HD2 TYR 8 5.080 6.551 -5.109 62 HE1 TYR 8 HE1 TYR 8 2.419 8.276 -1.329 63 HE2 TYR 8 HE2 TYR 8 4.972 8.977 -4.681 64 HH TYR 8 HH TYR 8 4.052 10.306 -1.883 65 H SER 9 H SER 9 5.548 1.990 -4.633 66 HA SER 9 HA SER 9 3.919 -0.205 -3.904 67 HB2 SER 9 HB2 SER 9 4.785 -0.126 -6.144 68 HB3 SER 9 HB3 SER 9 6.447 -0.014 -5.580 69 HG SER 9 HG SER 9 4.836 -2.213 -5.910 70 H GLN 10 H GLN 10 7.308 0.525 -3.173 71 HA GLN 10 HA GLN 10 7.868 -1.840 -1.677 72 HB2 GLN 10 HB2 GLN 10 9.316 0.840 -1.594 73 HB3 GLN 10 HB3 GLN 10 9.954 -0.707 -1.039 74 HG2 GLN 10 HG2 GLN 10 9.349 0.102 -3.903 75 HG3 GLN 10 HG3 GLN 10 10.936 -0.154 -3.183 76 HE21 GLN 10 HE21 GLN 10 8.092 -1.708 -4.483 77 HE22 GLN 10 HE22 GLN 10 8.757 -3.296 -4.578 78 H LEU 11 H LEU 11 6.701 1.368 -0.825 79 HA LEU 11 HA LEU 11 6.777 1.263 1.976 80 HB2 LEU 11 HB2 LEU 11 6.395 3.311 0.647 81 HB3 LEU 11 HB3 LEU 11 4.836 2.698 0.129 82 HG LEU 11 HG LEU 11 4.001 2.850 2.476 83 HD11 LEU 11 HD11 LEU 11 6.689 4.110 3.116 84 HD12 LEU 11 HD12 LEU 11 6.106 2.547 3.696 85 HD13 LEU 11 HD13 LEU 11 5.295 4.028 4.198 86 HD21 LEU 11 HD21 LEU 11 3.845 5.305 2.564 87 HD22 LEU 11 HD22 LEU 11 3.619 4.708 0.923 88 HD23 LEU 11 HD23 LEU 11 5.156 5.439 1.391 89 H VAL 12 H VAL 12 4.269 0.118 -0.300 90 HA VAL 12 HA VAL 12 2.344 -0.732 1.627 91 HB VAL 12 HB VAL 12 2.812 -1.751 -1.217 92 HG11 VAL 12 HG11 VAL 12 0.479 -2.622 -1.119 93 HG12 VAL 12 HG12 VAL 12 0.393 -2.188 0.590 94 HG13 VAL 12 HG13 VAL 12 1.529 -3.428 0.050 95 HG21 VAL 12 HG21 VAL 12 0.825 0.309 -0.167 96 HG22 VAL 12 HG22 VAL 12 0.937 -0.254 -1.837 97 HG23 VAL 12 HG23 VAL 12 2.267 0.658 -1.123 98 H VAL 13 H VAL 13 5.046 -2.423 0.041 99 HA VAL 13 HA VAL 13 4.732 -4.991 1.160 100 HB VAL 13 HB VAL 13 7.340 -3.630 0.334 101 HG11 VAL 13 HG11 VAL 13 6.745 -6.605 0.686 102 HG12 VAL 13 HG12 VAL 13 7.799 -5.629 1.711 103 HG13 VAL 13 HG13 VAL 13 8.244 -5.935 0.032 104 HG21 VAL 13 HG21 VAL 13 7.030 -4.772 -1.852 105 HG22 VAL 13 HG22 VAL 13 5.702 -3.661 -1.513 106 HG23 VAL 13 HG23 VAL 13 5.470 -5.399 -1.305 107 H GLU 14 H GLU 14 6.465 -2.120 2.399 108 HA GLU 14 HA GLU 14 7.498 -3.155 4.810 109 HB2 GLU 14 HB2 GLU 14 6.459 -0.353 4.212 110 HB3 GLU 14 HB3 GLU 14 7.353 -0.787 5.669 111 HG2 GLU 14 HG2 GLU 14 9.313 -1.358 4.305 112 HG3 GLU 14 HG3 GLU 14 8.416 -0.949 2.839 113 H THR 15 H THR 15 4.399 -1.525 4.144 114 HA THR 15 HA THR 15 3.407 -1.305 6.740 115 HB THR 15 HB THR 15 1.901 -1.479 4.100 116 HG1 THR 15 HG1 THR 15 3.017 0.382 4.050 117 HG21 THR 15 HG21 THR 15 0.869 -0.620 6.825 118 HG22 THR 15 HG22 THR 15 0.301 -1.994 5.872 119 HG23 THR 15 HG23 THR 15 0.032 -0.350 5.301 120 H ILE 16 H ILE 16 2.543 -3.821 4.308 121 HA ILE 16 HA ILE 16 0.780 -5.294 5.980 122 HB ILE 16 HB ILE 16 2.328 -6.264 3.531 123 HG12 ILE 16 HG12 ILE 16 -0.476 -5.053 3.727 124 HG13 ILE 16 HG13 ILE 16 0.940 -4.244 3.064 125 HG21 ILE 16 HG21 ILE 16 0.559 -7.984 3.289 126 HG22 ILE 16 HG22 ILE 16 -0.180 -7.443 4.798 127 HG23 ILE 16 HG23 ILE 16 1.428 -8.170 4.815 128 HD11 ILE 16 HD11 ILE 16 -0.424 -6.683 1.913 129 HD12 ILE 16 HD12 ILE 16 1.012 -5.897 1.247 130 HD13 ILE 16 HD13 ILE 16 -0.520 -5.029 1.308 131 H ARG 17 H ARG 17 4.265 -5.454 5.505 132 HA ARG 17 HA ARG 17 4.773 -7.816 7.036 133 HB2 ARG 17 HB2 ARG 17 6.360 -6.889 5.367 134 HB3 ARG 17 HB3 ARG 17 6.631 -5.488 6.400 135 HG2 ARG 17 HG2 ARG 17 7.642 -6.930 8.121 136 HG3 ARG 17 HG3 ARG 17 7.289 -8.359 7.145 137 HD2 ARG 17 HD2 ARG 17 8.769 -7.427 5.344 138 HD3 ARG 17 HD3 ARG 17 9.196 -6.108 6.438 139 HE ARG 17 HE ARG 17 10.063 -7.899 7.974 140 HH11 ARG 17 HH11 ARG 17 9.940 -8.513 4.568 141 HH12 ARG 17 HH12 ARG 17 11.256 -9.625 4.617 142 HH21 ARG 17 HH21 ARG 17 11.739 -9.324 7.993 143 HH22 ARG 17 HH22 ARG 17 12.251 -10.085 6.529 144 H ARG 18 H ARG 18 4.664 -4.334 7.890 145 HA ARG 18 HA ARG 18 5.613 -4.457 10.561 146 HB2 ARG 18 HB2 ARG 18 3.603 -2.504 9.348 147 HB3 ARG 18 HB3 ARG 18 4.410 -2.281 10.898 148 HG2 ARG 18 HG2 ARG 18 6.564 -2.021 9.797 149 HG3 ARG 18 HG3 ARG 18 5.850 -2.406 8.230 150 HD2 ARG 18 HD2 ARG 18 4.364 -0.386 8.479 151 HD3 ARG 18 HD3 ARG 18 5.255 0.027 9.947 152 HE ARG 18 HE ARG 18 7.034 -0.270 7.758 153 HH11 ARG 18 HH11 ARG 18 4.702 1.964 9.044 154 HH12 ARG 18 HH12 ARG 18 5.423 3.316 8.237 155 HH21 ARG 18 HH21 ARG 18 7.910 1.478 6.735 156 HH22 ARG 18 HH22 ARG 18 7.200 3.044 6.943 157 H LEU 19 H LEU 19 2.338 -4.545 9.224 158 HA LEU 19 HA LEU 19 0.953 -4.732 11.730 159 HB2 LEU 19 HB2 LEU 19 -0.097 -5.275 8.918 160 HB3 LEU 19 HB3 LEU 19 -1.064 -4.938 10.351 161 HG LEU 19 HG LEU 19 0.844 -2.961 9.025 162 HD11 LEU 19 HD11 LEU 19 -1.105 -3.373 7.620 163 HD12 LEU 19 HD12 LEU 19 -1.142 -1.746 8.293 164 HD13 LEU 19 HD13 LEU 19 -2.182 -3.001 8.970 165 HD21 LEU 19 HD21 LEU 19 -0.115 -1.268 10.536 166 HD22 LEU 19 HD22 LEU 19 0.694 -2.547 11.435 167 HD23 LEU 19 HD23 LEU 19 -1.069 -2.514 11.346 168 H GLY 20 H GLY 20 1.633 -7.041 9.077 169 HA2 GLY 20 HA2 GLY 20 1.593 -9.335 8.944 170 HA3 GLY 20 HA3 GLY 20 1.864 -9.348 10.679 171 H GLU 21 H GLU 21 -0.952 -8.009 8.995 172 HA GLU 21 HA GLU 21 -2.789 -9.301 10.733 173 HB2 GLU 21 HB2 GLU 21 -3.054 -7.461 8.369 174 HB3 GLU 21 HB3 GLU 21 -4.481 -8.347 8.894 175 HG2 GLU 21 HG2 GLU 21 -2.832 -6.494 10.650 176 HG3 GLU 21 HG3 GLU 21 -4.357 -6.076 9.865 177 H ARG 22 H ARG 22 -3.216 -11.325 10.691 178 HA ARG 22 HA ARG 22 -3.135 -13.365 8.953 179 HB2 ARG 22 HB2 ARG 22 -5.105 -14.375 10.197 180 HB3 ARG 22 HB3 ARG 22 -3.807 -13.777 11.221 181 HG2 ARG 22 HG2 ARG 22 -6.212 -12.023 10.655 182 HG3 ARG 22 HG3 ARG 22 -6.317 -13.295 11.869 183 HD2 ARG 22 HD2 ARG 22 -4.811 -12.234 13.307 184 HD3 ARG 22 HD3 ARG 22 -4.029 -11.342 12.008 185 HE ARG 22 HE ARG 22 -5.957 -9.858 11.940 186 HH11 ARG 22 HH11 ARG 22 -5.696 -11.803 14.797 187 HH12 ARG 22 HH12 ARG 22 -6.572 -10.669 15.761 188 HH21 ARG 22 HH21 ARG 22 -7.024 -8.421 13.204 189 HH22 ARG 22 HH22 ARG 22 -7.306 -8.783 14.873 190 H ASN 23 H ASN 23 -5.880 -11.055 9.075 191 HA ASN 23 HA ASN 23 -7.345 -12.416 6.950 192 HB2 ASN 23 HB2 ASN 23 -9.097 -10.702 7.351 193 HB3 ASN 23 HB3 ASN 23 -8.601 -11.476 8.851 194 HD21 ASN 23 HD21 ASN 23 -7.387 -10.266 10.366 195 HD22 ASN 23 HD22 ASN 23 -7.307 -8.540 10.293 196 H GLY 24 H GLY 24 -4.800 -10.284 6.908 197 HA2 GLY 24 HA2 GLY 24 -3.918 -9.108 5.109 198 HA3 GLY 24 HA3 GLY 24 -5.493 -9.055 4.344 199 H SER 25 H SER 25 -4.207 -6.858 4.166 200 HA SER 25 HA SER 25 -5.215 -4.982 6.221 201 HB2 SER 25 HB2 SER 25 -2.627 -4.785 4.593 202 HB3 SER 25 HB3 SER 25 -3.219 -3.565 5.724 203 HG SER 25 HG SER 25 -3.181 -5.827 7.060 204 H SER 26 H SER 26 -6.832 -3.837 5.347 205 HA SER 26 HA SER 26 -7.469 -3.677 2.578 206 HB2 SER 26 HB2 SER 26 -9.269 -2.152 3.290 207 HB3 SER 26 HB3 SER 26 -9.159 -3.507 4.413 208 HG SER 26 HG SER 26 -9.312 -1.662 5.628 209 H LEU 27 H LEU 27 -7.890 -1.432 1.479 210 HA LEU 27 HA LEU 27 -5.494 -0.032 1.045 211 HB2 LEU 27 HB2 LEU 27 -7.407 -0.093 -0.549 212 HB3 LEU 27 HB3 LEU 27 -8.331 0.940 0.528 213 HG LEU 27 HG LEU 27 -6.657 2.781 0.166 214 HD11 LEU 27 HD11 LEU 27 -5.408 0.902 -1.867 215 HD12 LEU 27 HD12 LEU 27 -4.674 1.470 -0.364 216 HD13 LEU 27 HD13 LEU 27 -5.012 2.614 -1.660 217 HD21 LEU 27 HD21 LEU 27 -8.709 2.721 -1.187 218 HD22 LEU 27 HD22 LEU 27 -7.896 1.727 -2.400 219 HD23 LEU 27 HD23 LEU 27 -7.357 3.383 -2.107 220 H ALA 28 H ALA 28 -8.151 0.682 3.279 221 HA ALA 28 HA ALA 28 -7.189 3.224 4.216 222 HB1 ALA 28 HB1 ALA 28 -9.139 1.300 5.525 223 HB2 ALA 28 HB2 ALA 28 -9.563 2.578 4.387 224 HB3 ALA 28 HB3 ALA 28 -8.901 2.995 5.969 225 H LYS 29 H LYS 29 -6.873 -0.140 5.400 226 HA LYS 29 HA LYS 29 -5.525 0.415 7.839 227 HB2 LYS 29 HB2 LYS 29 -6.697 -1.721 7.301 228 HB3 LYS 29 HB3 LYS 29 -5.470 -2.092 6.105 229 HG2 LYS 29 HG2 LYS 29 -5.002 -3.434 8.021 230 HG3 LYS 29 HG3 LYS 29 -3.768 -2.180 7.975 231 HD2 LYS 29 HD2 LYS 29 -6.228 -1.763 9.688 232 HD3 LYS 29 HD3 LYS 29 -4.967 -2.851 10.261 233 HE2 LYS 29 HE2 LYS 29 -3.321 -1.021 10.184 234 HE3 LYS 29 HE3 LYS 29 -4.539 0.070 9.521 235 HZ1 LYS 29 HZ1 LYS 29 -4.735 -1.250 12.158 236 HZ2 LYS 29 HZ2 LYS 29 -5.783 -0.081 11.527 237 HZ3 LYS 29 HZ3 LYS 29 -4.191 0.331 11.911 238 H ILE 30 H ILE 30 -4.376 -0.233 4.559 239 HA ILE 30 HA ILE 30 -1.586 -0.249 5.129 240 HB ILE 30 HB ILE 30 -3.103 0.043 2.503 241 HG12 ILE 30 HG12 ILE 30 -1.497 -2.268 3.697 242 HG13 ILE 30 HG13 ILE 30 -3.251 -2.166 3.646 243 HG21 ILE 30 HG21 ILE 30 -0.080 -0.196 2.820 244 HG22 ILE 30 HG22 ILE 30 -0.953 1.201 2.187 245 HG23 ILE 30 HG23 ILE 30 -0.962 -0.318 1.295 246 HD11 ILE 30 HD11 ILE 30 -3.170 -2.290 1.197 247 HD12 ILE 30 HD12 ILE 30 -2.415 -3.684 1.969 248 HD13 ILE 30 HD13 ILE 30 -1.409 -2.416 1.269 249 H TYR 31 H TYR 31 -3.865 2.251 4.079 250 HA TYR 31 HA TYR 31 -2.149 4.387 3.564 251 HB2 TYR 31 HB2 TYR 31 -4.588 4.410 3.082 252 HB3 TYR 31 HB3 TYR 31 -4.929 4.506 4.805 253 HD1 TYR 31 HD2 TYR 31 -3.279 6.349 2.005 254 HD2 TYR 31 HD1 TYR 31 -5.044 6.663 5.883 255 HE1 TYR 31 HE2 TYR 31 -3.187 8.790 1.849 256 HE2 TYR 31 HE1 TYR 31 -4.951 9.118 5.719 257 HH TYR 31 HH TYR 31 -3.588 10.843 4.449 258 H THR 32 H THR 32 -3.363 3.209 6.667 259 HA THR 32 HA THR 32 -2.763 5.346 8.367 260 HB THR 32 HB THR 32 -2.661 2.381 9.115 261 HG1 THR 32 HG1 THR 32 -4.629 2.881 8.111 262 HG21 THR 32 HG21 THR 32 -1.798 3.862 10.914 263 HG22 THR 32 HG22 THR 32 -3.349 3.156 11.372 264 HG23 THR 32 HG23 THR 32 -3.272 4.832 10.824 265 H GLU 33 H GLU 33 -0.626 2.605 7.461 266 HA GLU 33 HA GLU 33 1.644 3.671 8.964 267 HB2 GLU 33 HB2 GLU 33 1.373 1.286 7.101 268 HB3 GLU 33 HB3 GLU 33 2.901 1.748 7.847 269 HG2 GLU 33 HG2 GLU 33 0.381 0.850 9.284 270 HG3 GLU 33 HG3 GLU 33 1.872 -0.073 9.078 271 H ALA 34 H ALA 34 0.468 3.651 5.673 272 HA ALA 34 HA ALA 34 2.865 4.305 4.309 273 HB1 ALA 34 HB1 ALA 34 0.904 3.303 3.218 274 HB2 ALA 34 HB2 ALA 34 1.402 4.789 2.408 275 HB3 ALA 34 HB3 ALA 34 -0.007 4.793 3.474 276 H LYS 35 H LYS 35 0.325 6.336 5.726 277 HA LYS 35 HA LYS 35 1.135 8.803 4.548 278 HB2 LYS 35 HB2 LYS 35 -0.432 9.857 6.155 279 HB3 LYS 35 HB3 LYS 35 -1.152 8.490 5.308 280 HG2 LYS 35 HG2 LYS 35 -0.769 7.065 7.301 281 HG3 LYS 35 HG3 LYS 35 -0.079 8.447 8.155 282 HD2 LYS 35 HD2 LYS 35 -2.904 8.543 7.032 283 HD3 LYS 35 HD3 LYS 35 -2.576 7.803 8.596 284 HE2 LYS 35 HE2 LYS 35 -3.307 10.108 8.893 285 HE3 LYS 35 HE3 LYS 35 -1.632 9.940 9.403 286 HZ1 LYS 35 HZ1 LYS 35 -0.929 10.944 7.332 287 HZ2 LYS 35 HZ2 LYS 35 -2.013 11.960 8.130 288 HZ3 LYS 35 HZ3 LYS 35 -2.529 11.056 6.803 289 H LYS 36 H LYS 36 2.649 7.055 7.019 290 HA LYS 36 HA LYS 36 3.395 9.203 8.778 291 HB2 LYS 36 HB2 LYS 36 4.528 6.385 8.576 292 HB3 LYS 36 HB3 LYS 36 4.783 7.509 9.915 293 HG2 LYS 36 HG2 LYS 36 2.287 7.515 10.286 294 HG3 LYS 36 HG3 LYS 36 2.158 6.237 9.067 295 HD2 LYS 36 HD2 LYS 36 3.586 4.768 10.464 296 HD3 LYS 36 HD3 LYS 36 3.740 6.060 11.666 297 HE2 LYS 36 HE2 LYS 36 1.211 4.570 10.890 298 HE3 LYS 36 HE3 LYS 36 2.064 4.500 12.433 299 HZ1 LYS 36 HZ1 LYS 36 0.158 5.905 12.624 300 HZ2 LYS 36 HZ2 LYS 36 0.634 6.842 11.308 301 HZ3 LYS 36 HZ3 LYS 36 1.540 6.869 12.733 302 H VAL 37 H VAL 37 4.501 8.696 5.712 303 HA VAL 37 HA VAL 37 7.233 9.695 6.286 304 HB VAL 37 HB VAL 37 7.407 9.180 3.604 305 HG11 VAL 37 HG11 VAL 37 8.980 8.374 5.257 306 HG12 VAL 37 HG12 VAL 37 8.519 7.075 4.158 307 HG13 VAL 37 HG13 VAL 37 7.843 7.125 5.791 308 HG21 VAL 37 HG21 VAL 37 5.123 8.283 3.411 309 HG22 VAL 37 HG22 VAL 37 5.491 7.043 4.605 310 HG23 VAL 37 HG23 VAL 37 6.326 7.047 3.047 311 HA PRO 38 HA PRO 38 6.052 13.715 4.712 312 HB2 PRO 38 HB2 PRO 38 8.496 14.827 4.231 313 HB3 PRO 38 HB3 PRO 38 7.907 14.512 5.870 314 HG2 PRO 38 HG2 PRO 38 9.785 12.856 4.182 315 HG3 PRO 38 HG3 PRO 38 9.944 13.324 5.889 316 HD2 PRO 38 HD2 PRO 38 9.019 10.872 5.133 317 HD3 PRO 38 HD3 PRO 38 8.453 11.680 6.613 318 H TRP 39 H TRP 39 8.060 11.571 2.682 319 HA TRP 39 HA TRP 39 7.697 13.128 0.261 320 HB2 TRP 39 HB2 TRP 39 8.630 11.162 -0.943 321 HB3 TRP 39 HB3 TRP 39 9.648 11.668 0.394 322 HD1 TRP 39 HD1 TRP 39 10.056 9.911 2.350 323 HE1 TRP 39 HE1 TRP 39 9.554 7.408 2.590 324 HE3 TRP 39 HE3 TRP 39 6.845 9.315 -1.594 325 HZ2 TRP 39 HZ2 TRP 39 8.002 5.448 1.327 326 HZ3 TRP 39 HZ3 TRP 39 5.900 7.084 -2.000 327 HH2 TRP 39 HH2 TRP 39 6.467 5.191 -0.572 328 H PHE 40 H PHE 40 5.812 10.778 1.974 329 HA PHE 40 HA PHE 40 4.008 9.964 -0.051 330 HB2 PHE 40 HB2 PHE 40 4.226 8.964 2.258 331 HB3 PHE 40 HB3 PHE 40 3.412 10.374 2.916 332 HD1 PHE 40 HD2 PHE 40 3.022 7.304 0.944 333 HD2 PHE 40 HD1 PHE 40 0.978 10.661 2.620 334 HE1 PHE 40 HE2 PHE 40 0.859 6.200 0.544 335 HE2 PHE 40 HE1 PHE 40 -1.176 9.545 2.218 336 HZ PHE 40 HZ PHE 40 -1.237 7.317 1.179 337 H ASP 41 H ASP 41 2.446 11.064 -1.114 338 HA ASP 41 HA ASP 41 1.682 13.789 -0.404 339 HB2 ASP 41 HB2 ASP 41 1.980 12.902 -2.818 340 HB3 ASP 41 HB3 ASP 41 0.473 12.025 -2.595 341 H GLN 42 H GLN 42 0.015 14.192 1.027 342 HA GLN 42 HA GLN 42 -1.357 12.001 2.280 343 HB2 GLN 42 HB2 GLN 42 -1.632 15.004 2.700 344 HB3 GLN 42 HB3 GLN 42 -2.372 13.779 3.733 345 HG2 GLN 42 HG2 GLN 42 0.610 14.143 3.289 346 HG3 GLN 42 HG3 GLN 42 -0.290 14.687 4.704 347 HE21 GLN 42 HE21 GLN 42 1.943 12.733 4.383 348 HE22 GLN 42 HE22 GLN 42 1.389 11.293 5.145 349 H GLN 43 H GLN 43 -2.157 13.476 -0.568 350 HA GLN 43 HA GLN 43 -5.051 12.841 -0.272 351 HB2 GLN 43 HB2 GLN 43 -3.777 14.958 -2.073 352 HB3 GLN 43 HB3 GLN 43 -5.501 14.602 -1.958 353 HG2 GLN 43 HG2 GLN 43 -5.548 15.380 0.357 354 HG3 GLN 43 HG3 GLN 43 -3.805 15.626 0.343 355 HE21 GLN 43 HE21 GLN 43 -3.785 16.845 -2.334 356 HE22 GLN 43 HE22 GLN 43 -4.454 18.417 -2.124 357 H ASN 44 H ASN 44 -2.629 13.361 -2.850 358 HA ASN 44 HA ASN 44 -3.832 11.482 -4.670 359 HB2 ASN 44 HB2 ASN 44 -1.133 12.899 -4.862 360 HB3 ASN 44 HB3 ASN 44 -1.998 12.121 -6.189 361 HD21 ASN 44 HD21 ASN 44 -1.140 14.953 -5.684 362 HD22 ASN 44 HD22 ASN 44 -2.567 15.885 -5.941 363 H GLY 45 H GLY 45 -1.412 11.241 -2.200 364 HA2 GLY 45 HA2 GLY 45 0.139 9.068 -3.180 365 HA3 GLY 45 HA3 GLY 45 0.004 9.579 -1.505 366 H ARG 46 H ARG 46 -2.928 9.172 -1.397 367 HA ARG 46 HA ARG 46 -3.088 6.375 -0.821 368 HB2 ARG 46 HB2 ARG 46 -4.469 8.070 0.342 369 HB3 ARG 46 HB3 ARG 46 -5.335 8.403 -1.152 370 HG2 ARG 46 HG2 ARG 46 -6.254 6.131 -1.156 371 HG3 ARG 46 HG3 ARG 46 -5.324 5.724 0.285 372 HD2 ARG 46 HD2 ARG 46 -7.705 6.208 0.785 373 HD3 ARG 46 HD3 ARG 46 -6.603 7.310 1.614 374 HE ARG 46 HE ARG 46 -7.129 8.941 -0.209 375 HH11 ARG 46 HH11 ARG 46 -9.449 6.481 0.523 376 HH12 ARG 46 HH12 ARG 46 -10.781 7.449 0.009 377 HH21 ARG 46 HH21 ARG 46 -8.840 10.140 -0.843 378 HH22 ARG 46 HH22 ARG 46 -10.440 9.500 -0.739 379 H THR 47 H THR 47 -4.026 8.344 -3.615 380 HA THR 47 HA THR 47 -5.191 6.232 -5.169 381 HB THR 47 HB THR 47 -3.926 8.853 -6.104 382 HG1 THR 47 HG1 THR 47 -6.151 9.514 -6.214 383 HG21 THR 47 HG21 THR 47 -5.779 6.975 -7.632 384 HG22 THR 47 HG22 THR 47 -4.072 7.247 -7.987 385 HG23 THR 47 HG23 THR 47 -5.233 8.559 -8.190 386 H TYR 48 H TYR 48 -1.877 7.478 -4.760 387 HA TYR 48 HA TYR 48 -0.632 5.738 -6.666 388 HB2 TYR 48 HB2 TYR 48 0.576 7.192 -4.276 389 HB3 TYR 48 HB3 TYR 48 1.512 6.353 -5.507 390 HD1 TYR 48 HD1 TYR 48 -0.032 7.248 -7.983 391 HD2 TYR 48 HD2 TYR 48 1.349 9.439 -4.577 392 HE1 TYR 48 HE1 TYR 48 0.076 9.296 -9.339 393 HE2 TYR 48 HE2 TYR 48 1.446 11.485 -5.935 394 HH TYR 48 HH TYR 48 1.607 12.166 -8.236 395 H LEU 49 H LEU 49 -1.608 5.304 -3.291 396 HA LEU 49 HA LEU 49 -0.326 2.755 -2.906 397 HB2 LEU 49 HB2 LEU 49 -2.813 3.907 -1.581 398 HB3 LEU 49 HB3 LEU 49 -2.023 2.417 -1.085 399 HG LEU 49 HG LEU 49 -0.842 5.215 -0.905 400 HD11 LEU 49 HD11 LEU 49 -2.611 4.799 0.741 401 HD12 LEU 49 HD12 LEU 49 -1.036 4.911 1.517 402 HD13 LEU 49 HD13 LEU 49 -1.787 3.331 1.284 403 HD21 LEU 49 HD21 LEU 49 0.389 2.560 -0.067 404 HD22 LEU 49 HD22 LEU 49 1.056 4.159 0.278 405 HD23 LEU 49 HD23 LEU 49 0.937 3.599 -1.386 406 H LYS 50 H LYS 50 -3.626 3.751 -3.800 407 HA LYS 50 HA LYS 50 -4.863 1.323 -4.294 408 HB2 LYS 50 HB2 LYS 50 -5.985 3.538 -4.253 409 HB3 LYS 50 HB3 LYS 50 -5.182 3.975 -5.757 410 HG2 LYS 50 HG2 LYS 50 -6.439 2.107 -6.893 411 HG3 LYS 50 HG3 LYS 50 -7.322 1.855 -5.379 412 HD2 LYS 50 HD2 LYS 50 -8.154 4.203 -5.493 413 HD3 LYS 50 HD3 LYS 50 -7.271 4.428 -7.008 414 HE2 LYS 50 HE2 LYS 50 -9.565 2.483 -6.560 415 HE3 LYS 50 HE3 LYS 50 -9.653 4.017 -7.428 416 HZ1 LYS 50 HZ1 LYS 50 -8.041 3.130 -9.025 417 HZ2 LYS 50 HZ2 LYS 50 -9.454 2.203 -8.966 418 HZ3 LYS 50 HZ3 LYS 50 -8.047 1.649 -8.212 419 H TYR 51 H TYR 51 -2.749 3.221 -6.383 420 HA TYR 51 HA TYR 51 -2.939 1.495 -8.673 421 HB2 TYR 51 HB2 TYR 51 -1.652 4.099 -8.058 422 HB3 TYR 51 HB3 TYR 51 -0.698 3.104 -9.152 423 HD1 TYR 51 HD1 TYR 51 -1.958 2.021 -11.133 424 HD2 TYR 51 HD2 TYR 51 -3.432 5.400 -8.976 425 HE1 TYR 51 HE1 TYR 51 -3.404 2.569 -13.017 426 HE2 TYR 51 HE2 TYR 51 -4.899 5.965 -10.870 427 HH TYR 51 HH TYR 51 -5.558 3.830 -13.384 428 H SER 52 H SER 52 -0.478 1.999 -6.118 429 HA SER 52 HA SER 52 1.519 0.322 -7.265 430 HB2 SER 52 HB2 SER 52 2.592 0.358 -5.042 431 HB3 SER 52 HB3 SER 52 2.029 1.971 -5.469 432 HG SER 52 HG SER 52 1.431 1.580 -3.375 433 H ILE 53 H ILE 53 -0.909 -0.278 -4.761 434 HA ILE 53 HA ILE 53 -0.627 -3.003 -4.333 435 HB ILE 53 HB ILE 53 -3.112 -1.245 -4.232 436 HG12 ILE 53 HG12 ILE 53 -1.335 -2.321 -1.989 437 HG13 ILE 53 HG13 ILE 53 -1.274 -0.682 -2.626 438 HG21 ILE 53 HG21 ILE 53 -2.872 -4.087 -3.183 439 HG22 ILE 53 HG22 ILE 53 -3.878 -3.558 -4.533 440 HG23 ILE 53 HG23 ILE 53 -4.232 -2.994 -2.899 441 HD11 ILE 53 HD11 ILE 53 -3.603 -1.935 -1.167 442 HD12 ILE 53 HD12 ILE 53 -3.556 -0.294 -1.817 443 HD13 ILE 53 HD13 ILE 53 -2.459 -0.760 -0.519 444 H LYS 54 H LYS 54 -2.769 -1.370 -6.771 445 HA LYS 54 HA LYS 54 -3.887 -3.718 -7.885 446 HB2 LYS 54 HB2 LYS 54 -4.888 -1.518 -8.316 447 HB3 LYS 54 HB3 LYS 54 -3.441 -0.987 -9.171 448 HG2 LYS 54 HG2 LYS 54 -3.860 -2.702 -10.922 449 HG3 LYS 54 HG3 LYS 54 -5.324 -3.200 -10.069 450 HD2 LYS 54 HD2 LYS 54 -6.339 -1.003 -10.475 451 HD3 LYS 54 HD3 LYS 54 -4.847 -0.421 -11.224 452 HE2 LYS 54 HE2 LYS 54 -5.103 -2.051 -13.049 453 HE3 LYS 54 HE3 LYS 54 -6.550 -2.712 -12.285 454 HZ1 LYS 54 HZ1 LYS 54 -7.679 -0.656 -12.639 455 HZ2 LYS 54 HZ2 LYS 54 -7.014 -1.163 -14.110 456 HZ3 LYS 54 HZ3 LYS 54 -6.283 0.081 -13.235 457 H ALA 55 H ALA 55 -1.019 -1.872 -8.804 458 HA ALA 55 HA ALA 55 -0.295 -3.384 -11.100 459 HB1 ALA 55 HB1 ALA 55 0.400 -1.048 -10.785 460 HB2 ALA 55 HB2 ALA 55 1.802 -2.104 -11.033 461 HB3 ALA 55 HB3 ALA 55 1.406 -1.527 -9.410 462 H LEU 56 H LEU 56 0.516 -3.701 -7.653 463 HA LEU 56 HA LEU 56 2.440 -5.814 -8.051 464 HB2 LEU 56 HB2 LEU 56 1.004 -4.842 -5.566 465 HB3 LEU 56 HB3 LEU 56 2.119 -6.201 -5.539 466 HG LEU 56 HG LEU 56 2.820 -3.327 -6.258 467 HD11 LEU 56 HD11 LEU 56 4.165 -3.348 -4.200 468 HD12 LEU 56 HD12 LEU 56 3.590 -4.977 -3.828 469 HD13 LEU 56 HD13 LEU 56 2.456 -3.624 -3.863 470 HD21 LEU 56 HD21 LEU 56 5.163 -4.082 -6.408 471 HD22 LEU 56 HD22 LEU 56 4.157 -4.870 -7.621 472 HD23 LEU 56 HD23 LEU 56 4.649 -5.756 -6.174 473 H VAL 57 H VAL 57 -1.076 -5.722 -7.517 474 HA VAL 57 HA VAL 57 -1.400 -8.567 -7.215 475 HB VAL 57 HB VAL 57 -3.447 -6.459 -8.078 476 HG11 VAL 57 HG11 VAL 57 -5.190 -8.141 -7.515 477 HG12 VAL 57 HG12 VAL 57 -3.932 -9.342 -7.216 478 HG13 VAL 57 HG13 VAL 57 -4.165 -8.697 -8.842 479 HG21 VAL 57 HG21 VAL 57 -3.018 -7.755 -5.350 480 HG22 VAL 57 HG22 VAL 57 -4.272 -6.577 -5.749 481 HG23 VAL 57 HG23 VAL 57 -2.575 -6.102 -5.779 482 H GLN 58 H GLN 58 -1.194 -6.339 -9.944 483 HA GLN 58 HA GLN 58 -1.775 -8.061 -12.098 484 HB2 GLN 58 HB2 GLN 58 -1.634 -5.587 -12.245 485 HB3 GLN 58 HB3 GLN 58 0.091 -5.648 -11.938 486 HG2 GLN 58 HG2 GLN 58 -1.011 -7.085 -14.342 487 HG3 GLN 58 HG3 GLN 58 -0.873 -5.331 -14.382 488 HE21 GLN 58 HE21 GLN 58 0.882 -8.329 -14.469 489 HE22 GLN 58 HE22 GLN 58 2.431 -7.646 -14.807 490 H ASN 59 H ASN 59 1.337 -7.320 -10.444 491 HA ASN 59 HA ASN 59 2.803 -9.375 -11.927 492 HB2 ASN 59 HB2 ASN 59 3.610 -7.503 -9.656 493 HB3 ASN 59 HB3 ASN 59 4.696 -8.730 -10.306 494 HD21 ASN 59 HD21 ASN 59 3.251 -5.643 -10.869 495 HD22 ASN 59 HD22 ASN 59 4.110 -5.266 -12.307 496 H ASP 60 H ASP 60 0.598 -9.603 -9.543 497 HA ASP 60 HA ASP 60 -0.075 -11.108 -8.018 498 HB2 ASP 60 HB2 ASP 60 1.956 -12.956 -9.319 499 HB3 ASP 60 HB3 ASP 60 0.623 -13.463 -8.284 500 H THR 61 H THR 61 2.416 -9.415 -7.490 501 HA THR 61 HA THR 61 3.929 -10.697 -5.440 502 HB THR 61 HB THR 61 3.479 -7.705 -5.904 503 HG1 THR 61 HG1 THR 61 5.043 -9.595 -7.238 504 HG21 THR 61 HG21 THR 61 4.515 -8.192 -3.701 505 HG22 THR 61 HG22 THR 61 5.656 -7.399 -4.789 506 HG23 THR 61 HG23 THR 61 5.775 -9.135 -4.503 507 H LEU 62 H LEU 62 1.000 -8.680 -5.526 508 HA LEU 62 HA LEU 62 0.448 -9.296 -2.680 509 HB2 LEU 62 HB2 LEU 62 -0.681 -7.099 -4.459 510 HB3 LEU 62 HB3 LEU 62 -1.316 -7.477 -2.862 511 HG LEU 62 HG LEU 62 1.455 -6.386 -3.500 512 HD11 LEU 62 HD11 LEU 62 0.720 -4.417 -2.238 513 HD12 LEU 62 HD12 LEU 62 -0.874 -5.140 -2.000 514 HD13 LEU 62 HD13 LEU 62 -0.327 -4.712 -3.623 515 HD21 LEU 62 HD21 LEU 62 0.319 -7.199 -0.801 516 HD22 LEU 62 HD22 LEU 62 1.829 -6.316 -1.055 517 HD23 LEU 62 HD23 LEU 62 1.664 -7.963 -1.656 518 H LEU 63 H LEU 63 -1.522 -10.098 -2.089 519 HA LEU 63 HA LEU 63 -3.201 -11.415 -4.131 520 HB2 LEU 63 HB2 LEU 63 -2.687 -12.188 -1.223 521 HB3 LEU 63 HB3 LEU 63 -3.735 -13.058 -2.337 522 HG LEU 63 HG LEU 63 -0.709 -12.766 -2.622 523 HD11 LEU 63 HD11 LEU 63 -2.329 -15.216 -1.846 524 HD12 LEU 63 HD12 LEU 63 -1.297 -14.264 -0.774 525 HD13 LEU 63 HD13 LEU 63 -0.581 -15.158 -2.113 526 HD21 LEU 63 HD21 LEU 63 -2.670 -14.329 -4.344 527 HD22 LEU 63 HD22 LEU 63 -0.910 -14.369 -4.490 528 HD23 LEU 63 HD23 LEU 63 -1.783 -12.877 -4.818 529 H GLN 64 H GLN 64 -5.207 -10.577 -4.312 530 HA GLN 64 HA GLN 64 -6.203 -8.604 -2.422 531 HB2 GLN 64 HB2 GLN 64 -8.055 -8.291 -4.107 532 HB3 GLN 64 HB3 GLN 64 -6.436 -8.016 -4.735 533 HG2 GLN 64 HG2 GLN 64 -6.489 -10.269 -5.780 534 HG3 GLN 64 HG3 GLN 64 -8.139 -10.484 -5.205 535 HE21 GLN 64 HE21 GLN 64 -7.212 -10.526 -7.943 536 HE22 GLN 64 HE22 GLN 64 -8.050 -9.266 -8.768 537 H VAL 65 H VAL 65 -6.905 -9.494 -0.609 538 HA VAL 65 HA VAL 65 -8.279 -12.052 -0.444 539 HB VAL 65 HB VAL 65 -7.656 -10.108 1.828 540 HG11 VAL 65 HG11 VAL 65 -7.772 -12.109 3.289 541 HG12 VAL 65 HG12 VAL 65 -8.205 -13.104 1.897 542 HG13 VAL 65 HG13 VAL 65 -9.302 -11.835 2.447 543 HG21 VAL 65 HG21 VAL 65 -5.580 -11.402 2.228 544 HG22 VAL 65 HG22 VAL 65 -5.564 -10.641 0.636 545 HG23 VAL 65 HG23 VAL 65 -5.899 -12.369 0.784 546 H LYS 66 H LYS 66 -10.274 -11.712 -1.429 547 HA LYS 66 HA LYS 66 -12.270 -10.050 0.009 548 HB2 LYS 66 HB2 LYS 66 -12.006 -10.316 -3.025 549 HB3 LYS 66 HB3 LYS 66 -13.318 -9.482 -2.194 550 HG2 LYS 66 HG2 LYS 66 -11.744 -7.808 -1.322 551 HG3 LYS 66 HG3 LYS 66 -10.386 -8.666 -2.058 552 HD2 LYS 66 HD2 LYS 66 -12.682 -7.334 -3.556 553 HD3 LYS 66 HD3 LYS 66 -11.044 -6.691 -3.388 554 HE2 LYS 66 HE2 LYS 66 -10.171 -8.681 -4.612 555 HE3 LYS 66 HE3 LYS 66 -11.826 -9.256 -4.825 556 HZ1 LYS 66 HZ1 LYS 66 -10.694 -6.738 -5.885 557 HZ2 LYS 66 HZ2 LYS 66 -12.303 -7.231 -6.061 558 HZ3 LYS 66 HZ3 LYS 66 -11.060 -8.129 -6.769 559 H GLY 67 H GLY 67 -14.352 -10.945 0.155 560 HA2 GLY 67 HA2 GLY 67 -16.029 -12.538 0.059 561 HA3 GLY 67 HA3 GLY 67 -15.090 -13.457 -1.104 562 H THR 68 H THR 68 -12.761 -13.900 0.343 563 HA THR 68 HA THR 68 -13.510 -16.063 2.086 564 HB THR 68 HB THR 68 -11.705 -16.450 0.533 565 HG1 THR 68 HG1 THR 68 -11.351 -17.566 2.424 566 HG21 THR 68 HG21 THR 68 -10.885 -14.151 0.205 567 HG22 THR 68 HG22 THR 68 -9.546 -15.227 0.604 568 HG23 THR 68 HG23 THR 68 -10.197 -14.140 1.833 569 H GLY 69 H GLY 69 -14.593 -14.494 3.634 570 HA2 GLY 69 HA2 GLY 69 -14.742 -13.610 5.749 571 HA3 GLY 69 HA3 GLY 69 -13.145 -14.266 6.060 572 H ALA 70 H ALA 70 -13.506 -11.980 3.456 573 HA ALA 70 HA ALA 70 -12.909 -9.601 5.037 574 HB1 ALA 70 HB1 ALA 70 -10.664 -10.609 4.744 575 HB2 ALA 70 HB2 ALA 70 -10.799 -9.088 3.861 576 HB3 ALA 70 HB3 ALA 70 -10.894 -10.624 2.994 577 H ASN 71 H ASN 71 -13.349 -7.671 3.888 578 HA ASN 71 HA ASN 71 -15.066 -8.015 1.527 579 HB2 ASN 71 HB2 ASN 71 -14.602 -5.599 3.331 580 HB3 ASN 71 HB3 ASN 71 -15.763 -5.650 2.005 581 HD21 ASN 71 HD21 ASN 71 -16.253 -5.221 4.845 582 HD22 ASN 71 HD22 ASN 71 -17.342 -6.460 5.347 583 H GLY 72 H GLY 72 -11.974 -6.542 2.367 584 HA2 GLY 72 HA2 GLY 72 -11.140 -6.313 -0.362 585 HA3 GLY 72 HA3 GLY 72 -11.576 -4.738 0.289 586 H SER 73 H SER 73 -9.835 -7.592 1.577 587 HA SER 73 HA SER 73 -7.760 -5.830 2.734 588 HB2 SER 73 HB2 SER 73 -8.379 -8.782 3.163 589 HB3 SER 73 HB3 SER 73 -7.040 -7.932 3.933 590 HG SER 73 HG SER 73 -8.674 -7.855 5.368 591 H PHE 74 H PHE 74 -5.432 -6.598 2.589 592 HA PHE 74 HA PHE 74 -4.743 -8.078 0.117 593 HB2 PHE 74 HB2 PHE 74 -3.548 -5.355 0.839 594 HB3 PHE 74 HB3 PHE 74 -3.100 -6.338 -0.551 595 HD1 PHE 74 HD1 PHE 74 -4.990 -6.862 -2.278 596 HD2 PHE 74 HD2 PHE 74 -5.241 -3.703 0.604 597 HE1 PHE 74 HE1 PHE 74 -6.740 -5.767 -3.620 598 HE2 PHE 74 HE2 PHE 74 -6.990 -2.615 -0.748 599 HZ PHE 74 HZ PHE 74 -7.742 -3.649 -2.857 600 H LYS 75 H LYS 75 -2.995 -9.406 0.340 601 HA LYS 75 HA LYS 75 -1.095 -9.027 2.590 602 HB2 LYS 75 HB2 LYS 75 -2.461 -11.639 1.807 603 HB3 LYS 75 HB3 LYS 75 -0.956 -11.618 2.718 604 HG2 LYS 75 HG2 LYS 75 -2.092 -10.263 4.474 605 HG3 LYS 75 HG3 LYS 75 -3.599 -10.434 3.576 606 HD2 LYS 75 HD2 LYS 75 -1.990 -12.742 4.744 607 HD3 LYS 75 HD3 LYS 75 -3.406 -12.010 5.501 608 HE2 LYS 75 HE2 LYS 75 -4.766 -12.690 3.517 609 HE3 LYS 75 HE3 LYS 75 -3.347 -13.503 2.859 610 HZ1 LYS 75 HZ1 LYS 75 -4.724 -15.074 3.972 611 HZ2 LYS 75 HZ2 LYS 75 -4.752 -14.150 5.385 612 HZ3 LYS 75 HZ3 LYS 75 -3.315 -14.881 4.884 613 H LEU 76 H LEU 76 0.975 -10.162 2.291 614 HA LEU 76 HA LEU 76 2.082 -9.823 -0.352 615 HB2 LEU 76 HB2 LEU 76 3.307 -11.028 2.172 616 HB3 LEU 76 HB3 LEU 76 4.201 -10.614 0.716 617 HG LEU 76 HG LEU 76 2.746 -8.567 2.460 618 HD11 LEU 76 HD11 LEU 76 4.956 -7.892 3.292 619 HD12 LEU 76 HD12 LEU 76 5.717 -9.207 2.390 620 HD13 LEU 76 HD13 LEU 76 4.605 -9.570 3.713 621 HD21 LEU 76 HD21 LEU 76 2.992 -7.842 0.121 622 HD22 LEU 76 HD22 LEU 76 4.725 -8.155 0.184 623 HD23 LEU 76 HD23 LEU 76 4.018 -6.884 1.186 624 H ASN 77 H ASN 77 2.692 -11.443 -1.830 625 HA ASN 77 HA ASN 77 1.672 -14.155 -1.477 626 HB2 ASN 77 HB2 ASN 77 1.620 -12.782 -3.681 627 HB3 ASN 77 HB3 ASN 77 3.332 -13.148 -3.831 628 HD21 ASN 77 HD21 ASN 77 0.991 -13.910 -5.492 629 HD22 ASN 77 HD22 ASN 77 1.046 -15.630 -5.617 630 H ARG 78 H ARG 78 3.102 -16.044 -1.773 631 HA ARG 78 HA ARG 78 4.786 -16.203 0.381 632 HB2 ARG 78 HB2 ARG 78 4.769 -18.080 -2.007 633 HB3 ARG 78 HB3 ARG 78 5.397 -18.469 -0.403 634 HG2 ARG 78 HG2 ARG 78 3.016 -17.994 0.470 635 HG3 ARG 78 HG3 ARG 78 2.507 -18.003 -1.223 636 HD2 ARG 78 HD2 ARG 78 2.125 -20.197 -0.196 637 HD3 ARG 78 HD3 ARG 78 3.365 -20.325 -1.452 638 HE ARG 78 HE ARG 78 4.489 -19.862 1.144 639 HH11 ARG 78 HH11 ARG 78 3.224 -22.404 -0.830 640 HH12 ARG 78 HH12 ARG 78 4.164 -23.610 -0.029 641 HH21 ARG 78 HH21 ARG 78 5.669 -21.421 2.129 642 HH22 ARG 78 HH22 ARG 78 5.523 -23.068 1.621 643 H LYS 79 H LYS 79 5.941 -16.049 -3.046 644 HA LYS 79 HA LYS 79 8.106 -14.337 -2.218 645 HB2 LYS 79 HB2 LYS 79 10.012 -15.666 -2.969 646 HB3 LYS 79 HB3 LYS 79 9.159 -16.504 -1.680 647 HG2 LYS 79 HG2 LYS 79 8.185 -18.068 -3.259 648 HG3 LYS 79 HG3 LYS 79 8.839 -17.164 -4.627 649 HD2 LYS 79 HD2 LYS 79 11.140 -17.681 -3.911 650 HD3 LYS 79 HD3 LYS 79 10.533 -18.533 -2.488 651 HE2 LYS 79 HE2 LYS 79 9.895 -19.387 -5.333 652 HE3 LYS 79 HE3 LYS 79 11.275 -20.001 -4.420 653 HZ1 LYS 79 HZ1 LYS 79 9.768 -20.878 -2.768 654 HZ2 LYS 79 HZ2 LYS 79 9.360 -21.474 -4.295 655 HZ3 LYS 79 HZ3 LYS 79 8.433 -20.249 -3.592 656 H LYS 80 H LYS 80 5.833 -14.259 -4.096 657 HA LYS 80 HA LYS 80 7.084 -13.994 -6.727 658 HB2 LYS 80 HB2 LYS 80 4.272 -13.309 -5.806 659 HB3 LYS 80 HB3 LYS 80 4.857 -13.096 -7.457 660 HG2 LYS 80 HG2 LYS 80 5.486 -15.659 -7.258 661 HG3 LYS 80 HG3 LYS 80 4.306 -15.644 -5.950 662 HD2 LYS 80 HD2 LYS 80 3.069 -16.310 -7.843 663 HD3 LYS 80 HD3 LYS 80 2.676 -14.603 -7.659 664 HE2 LYS 80 HE2 LYS 80 4.778 -15.660 -9.591 665 HE3 LYS 80 HE3 LYS 80 3.107 -15.336 -10.040 666 HZ1 LYS 80 HZ1 LYS 80 5.107 -13.357 -9.103 667 HZ2 LYS 80 HZ2 LYS 80 3.481 -12.999 -9.403 668 HZ3 LYS 80 HZ3 LYS 80 4.480 -13.509 -10.664 669 H LEU 81 H LEU 81 8.016 -12.295 -4.421 670 HA LEU 81 HA LEU 81 7.583 -9.555 -5.019 671 HB2 LEU 81 HB2 LEU 81 8.709 -10.702 -2.944 672 HB3 LEU 81 HB3 LEU 81 10.180 -10.684 -3.891 673 HG LEU 81 HG LEU 81 8.618 -8.175 -3.111 674 HD11 LEU 81 HD11 LEU 81 9.456 -9.292 -1.102 675 HD12 LEU 81 HD12 LEU 81 10.324 -7.789 -1.390 676 HD13 LEU 81 HD13 LEU 81 11.088 -9.334 -1.777 677 HD21 LEU 81 HD21 LEU 81 11.432 -8.436 -4.246 678 HD22 LEU 81 HD22 LEU 81 10.671 -6.932 -3.715 679 HD23 LEU 81 HD23 LEU 81 10.020 -7.807 -5.098 680 H GLU 82 H GLU 82 10.424 -11.633 -5.789 681 HA GLU 82 HA GLU 82 11.712 -11.968 -7.626 682 HB2 GLU 82 HB2 GLU 82 9.274 -10.872 -9.080 683 HB3 GLU 82 HB3 GLU 82 10.613 -11.693 -9.877 684 HG2 GLU 82 HG2 GLU 82 10.090 -13.779 -8.756 685 HG3 GLU 82 HG3 GLU 82 8.882 -12.991 -7.742 686 H GLY 83 H GLY 83 11.614 -9.079 -6.406 687 HA2 GLY 83 HA2 GLY 83 12.729 -7.088 -6.740 688 HA3 GLY 83 HA3 GLY 83 13.416 -7.755 -8.215 Start of MODEL 4 1 H1 SER 1 H1 SER 1 6.403 0.351 -15.825 2 H2 SER 1 H2 SER 1 5.447 -0.438 -16.971 3 H3 SER 1 H3 SER 1 5.813 1.197 -17.166 4 HA SER 1 HA SER 1 7.111 -0.181 -18.643 5 HB2 SER 1 HB2 SER 1 8.046 1.971 -17.809 6 HB3 SER 1 HB3 SER 1 8.775 1.121 -16.446 7 HG SER 1 HG SER 1 10.185 1.518 -18.287 8 H HIS 2 H HIS 2 9.102 -1.580 -18.774 9 HA HIS 2 HA HIS 2 8.832 -3.948 -17.127 10 HB2 HIS 2 HB2 HIS 2 10.793 -3.277 -19.364 11 HB3 HIS 2 HB3 HIS 2 10.661 -4.856 -18.587 12 HD1 HIS 2 HD1 HIS 2 9.338 -2.938 -21.373 13 HD2 HIS 2 HD2 HIS 2 7.972 -6.043 -18.974 14 HE1 HIS 2 HE1 HIS 2 7.416 -3.950 -22.622 15 HE2 HIS 2 HE2 HIS 2 6.469 -5.648 -21.035 16 H MET 3 H MET 3 9.466 -3.544 -15.065 17 HA MET 3 HA MET 3 10.718 -3.294 -13.217 18 HB2 MET 3 HB2 MET 3 13.060 -3.621 -15.129 19 HB3 MET 3 HB3 MET 3 13.226 -3.581 -13.377 20 HG2 MET 3 HG2 MET 3 11.990 -5.649 -13.157 21 HG3 MET 3 HG3 MET 3 11.566 -5.628 -14.870 22 HE1 MET 3 HE1 MET 3 14.616 -5.834 -12.341 23 HE2 MET 3 HE2 MET 3 15.171 -4.633 -13.512 24 HE3 MET 3 HE3 MET 3 15.936 -6.217 -13.446 25 H GLN 4 H GLN 4 10.119 -1.244 -12.608 26 HA GLN 4 HA GLN 4 12.148 0.872 -13.012 27 HB2 GLN 4 HB2 GLN 4 10.515 2.616 -13.299 28 HB3 GLN 4 HB3 GLN 4 10.106 1.348 -14.442 29 HG2 GLN 4 HG2 GLN 4 8.695 1.785 -11.784 30 HG3 GLN 4 HG3 GLN 4 8.134 2.422 -13.328 31 HE21 GLN 4 HE21 GLN 4 8.454 -0.431 -11.351 32 HE22 GLN 4 HE22 GLN 4 7.442 -1.452 -12.311 33 HA PRO 5 HA PRO 5 12.099 0.993 -8.537 34 HB2 PRO 5 HB2 PRO 5 13.120 3.477 -8.010 35 HB3 PRO 5 HB3 PRO 5 14.101 2.159 -8.672 36 HG2 PRO 5 HG2 PRO 5 12.792 4.465 -10.122 37 HG3 PRO 5 HG3 PRO 5 14.435 3.817 -10.313 38 HD2 PRO 5 HD2 PRO 5 12.407 3.180 -12.027 39 HD3 PRO 5 HD3 PRO 5 13.721 2.045 -11.646 40 H GLY 6 H GLY 6 9.811 0.838 -8.188 41 HA2 GLY 6 HA2 GLY 6 8.152 3.248 -7.998 42 HA3 GLY 6 HA3 GLY 6 7.638 1.589 -7.741 43 H LYS 7 H LYS 7 8.667 4.494 -6.205 44 HA LYS 7 HA LYS 7 9.566 3.466 -3.710 45 HB2 LYS 7 HB2 LYS 7 9.273 5.802 -2.872 46 HB3 LYS 7 HB3 LYS 7 10.183 5.701 -4.376 47 HG2 LYS 7 HG2 LYS 7 8.143 6.372 -5.640 48 HG3 LYS 7 HG3 LYS 7 7.265 6.516 -4.110 49 HD2 LYS 7 HD2 LYS 7 8.855 8.289 -3.384 50 HD3 LYS 7 HD3 LYS 7 9.707 8.153 -4.928 51 HE2 LYS 7 HE2 LYS 7 7.649 8.875 -6.111 52 HE3 LYS 7 HE3 LYS 7 6.806 8.999 -4.568 53 HZ1 LYS 7 HZ1 LYS 7 7.565 11.135 -5.339 54 HZ2 LYS 7 HZ2 LYS 7 9.163 10.597 -5.377 55 HZ3 LYS 7 HZ3 LYS 7 8.347 10.721 -3.903 56 H TYR 8 H TYR 8 6.287 4.487 -4.758 57 HA TYR 8 HA TYR 8 5.032 4.164 -2.201 58 HB2 TYR 8 HB2 TYR 8 3.915 4.370 -5.020 59 HB3 TYR 8 HB3 TYR 8 2.865 4.096 -3.635 60 HD1 TYR 8 HD1 TYR 8 2.626 5.855 -1.869 61 HD2 TYR 8 HD2 TYR 8 4.863 6.591 -5.440 62 HE1 TYR 8 HE1 TYR 8 2.511 8.272 -1.447 63 HE2 TYR 8 HE2 TYR 8 4.748 9.012 -5.004 64 HH TYR 8 HH TYR 8 3.947 10.340 -2.103 65 H SER 9 H SER 9 5.514 1.963 -4.978 66 HA SER 9 HA SER 9 3.818 -0.132 -4.044 67 HB2 SER 9 HB2 SER 9 5.033 -1.564 -5.724 68 HB3 SER 9 HB3 SER 9 4.423 -0.055 -6.398 69 HG SER 9 HG SER 9 7.055 -0.834 -5.857 70 H GLN 10 H GLN 10 7.319 0.482 -3.608 71 HA GLN 10 HA GLN 10 7.968 -1.792 -2.036 72 HB2 GLN 10 HB2 GLN 10 9.106 1.031 -1.854 73 HB3 GLN 10 HB3 GLN 10 9.816 -0.390 -1.085 74 HG2 GLN 10 HG2 GLN 10 10.166 -1.382 -3.342 75 HG3 GLN 10 HG3 GLN 10 9.540 0.102 -4.061 76 HE21 GLN 10 HE21 GLN 10 12.200 -1.330 -2.311 77 HE22 GLN 10 HE22 GLN 10 13.319 -0.038 -2.566 78 H LEU 11 H LEU 11 6.745 1.415 -1.145 79 HA LEU 11 HA LEU 11 6.772 1.234 1.639 80 HB2 LEU 11 HB2 LEU 11 6.460 3.350 0.500 81 HB3 LEU 11 HB3 LEU 11 4.967 2.796 -0.238 82 HG LEU 11 HG LEU 11 3.858 2.788 1.990 83 HD11 LEU 11 HD11 LEU 11 6.469 3.906 3.064 84 HD12 LEU 11 HD12 LEU 11 5.767 2.327 3.437 85 HD13 LEU 11 HD13 LEU 11 4.944 3.796 3.949 86 HD21 LEU 11 HD21 LEU 11 5.160 5.446 1.306 87 HD22 LEU 11 HD22 LEU 11 3.696 5.218 2.267 88 HD23 LEU 11 HD23 LEU 11 3.702 4.781 0.561 89 H VAL 12 H VAL 12 4.189 0.240 -0.641 90 HA VAL 12 HA VAL 12 2.231 -0.517 1.268 91 HB VAL 12 HB VAL 12 2.671 -1.714 -1.513 92 HG11 VAL 12 HG11 VAL 12 0.280 -2.377 -1.388 93 HG12 VAL 12 HG12 VAL 12 0.197 -1.787 0.272 94 HG13 VAL 12 HG13 VAL 12 1.232 -3.161 -0.125 95 HG21 VAL 12 HG21 VAL 12 0.952 -0.116 -2.296 96 HG22 VAL 12 HG22 VAL 12 2.336 0.739 -1.613 97 HG23 VAL 12 HG23 VAL 12 0.850 0.584 -0.675 98 H VAL 13 H VAL 13 4.801 -2.418 -0.310 99 HA VAL 13 HA VAL 13 4.300 -4.942 0.825 100 HB VAL 13 HB VAL 13 6.945 -3.760 -0.142 101 HG11 VAL 13 HG11 VAL 13 7.747 -6.110 -0.386 102 HG12 VAL 13 HG12 VAL 13 6.272 -6.688 0.393 103 HG13 VAL 13 HG13 VAL 13 7.419 -5.705 1.303 104 HG21 VAL 13 HG21 VAL 13 6.469 -4.987 -2.245 105 HG22 VAL 13 HG22 VAL 13 5.188 -3.827 -1.885 106 HG23 VAL 13 HG23 VAL 13 4.932 -5.546 -1.575 107 H GLU 14 H GLU 14 6.355 -2.284 1.980 108 HA GLU 14 HA GLU 14 7.366 -3.497 4.341 109 HB2 GLU 14 HB2 GLU 14 6.912 -0.543 3.708 110 HB3 GLU 14 HB3 GLU 14 7.873 -1.150 5.059 111 HG2 GLU 14 HG2 GLU 14 9.453 -2.186 3.489 112 HG3 GLU 14 HG3 GLU 14 8.480 -1.628 2.125 113 H THR 15 H THR 15 4.542 -1.431 3.743 114 HA THR 15 HA THR 15 3.676 -0.949 6.365 115 HB THR 15 HB THR 15 2.244 -0.895 3.694 116 HG1 THR 15 HG1 THR 15 3.325 0.935 3.797 117 HG21 THR 15 HG21 THR 15 0.333 0.245 4.798 118 HG22 THR 15 HG22 THR 15 1.016 -0.160 6.371 119 HG23 THR 15 HG23 THR 15 0.476 -1.443 5.288 120 H ILE 16 H ILE 16 2.539 -3.444 4.067 121 HA ILE 16 HA ILE 16 0.583 -4.619 5.747 122 HB ILE 16 HB ILE 16 2.116 -5.862 3.416 123 HG12 ILE 16 HG12 ILE 16 -0.636 -4.519 3.455 124 HG13 ILE 16 HG13 ILE 16 0.836 -3.776 2.837 125 HG21 ILE 16 HG21 ILE 16 1.077 -7.626 4.794 126 HG22 ILE 16 HG22 ILE 16 0.254 -7.485 3.243 127 HG23 ILE 16 HG23 ILE 16 -0.484 -6.806 4.694 128 HD11 ILE 16 HD11 ILE 16 0.953 -5.484 1.081 129 HD12 ILE 16 HD12 ILE 16 -0.565 -4.588 1.040 130 HD13 ILE 16 HD13 ILE 16 -0.528 -6.221 1.704 131 H ARG 17 H ARG 17 4.053 -5.250 5.364 132 HA ARG 17 HA ARG 17 4.156 -7.535 7.096 133 HB2 ARG 17 HB2 ARG 17 5.857 -7.075 5.342 134 HB3 ARG 17 HB3 ARG 17 6.420 -5.681 6.260 135 HG2 ARG 17 HG2 ARG 17 7.144 -7.134 8.094 136 HG3 ARG 17 HG3 ARG 17 6.454 -8.543 7.283 137 HD2 ARG 17 HD2 ARG 17 8.072 -8.304 5.455 138 HD3 ARG 17 HD3 ARG 17 8.745 -6.859 6.223 139 HE ARG 17 HE ARG 17 9.035 -8.676 8.173 140 HH11 ARG 17 HH11 ARG 17 9.867 -8.923 4.819 141 HH12 ARG 17 HH12 ARG 17 11.203 -9.966 5.144 142 HH21 ARG 17 HH21 ARG 17 10.726 -9.989 8.534 143 HH22 ARG 17 HH22 ARG 17 11.678 -10.566 7.212 144 H ARG 18 H ARG 18 4.490 -4.024 7.643 145 HA ARG 18 HA ARG 18 5.491 -3.972 10.284 146 HB2 ARG 18 HB2 ARG 18 3.506 -2.084 8.942 147 HB3 ARG 18 HB3 ARG 18 4.249 -1.762 10.506 148 HG2 ARG 18 HG2 ARG 18 6.468 -1.640 9.449 149 HG3 ARG 18 HG3 ARG 18 5.755 -2.026 7.881 150 HD2 ARG 18 HD2 ARG 18 4.337 0.044 8.075 151 HD3 ARG 18 HD3 ARG 18 5.213 0.454 9.554 152 HE ARG 18 HE ARG 18 7.178 0.156 7.667 153 HH11 ARG 18 HH11 ARG 18 4.337 2.130 7.857 154 HH12 ARG 18 HH12 ARG 18 5.029 3.395 6.916 155 HH21 ARG 18 HH21 ARG 18 8.038 1.801 6.470 156 HH22 ARG 18 HH22 ARG 18 7.104 3.214 6.144 157 H LEU 19 H LEU 19 2.156 -4.138 9.089 158 HA LEU 19 HA LEU 19 0.910 -4.283 11.686 159 HB2 LEU 19 HB2 LEU 19 -0.239 -4.850 8.914 160 HB3 LEU 19 HB3 LEU 19 -1.166 -4.594 10.389 161 HG LEU 19 HG LEU 19 0.659 -2.457 9.206 162 HD11 LEU 19 HD11 LEU 19 -1.344 -1.362 8.315 163 HD12 LEU 19 HD12 LEU 19 -2.332 -2.735 8.820 164 HD13 LEU 19 HD13 LEU 19 -1.095 -2.947 7.581 165 HD21 LEU 19 HD21 LEU 19 -0.615 -0.927 10.679 166 HD22 LEU 19 HD22 LEU 19 0.220 -2.174 11.600 167 HD23 LEU 19 HD23 LEU 19 -1.522 -2.298 11.325 168 H GLY 20 H GLY 20 1.319 -6.590 8.979 169 HA2 GLY 20 HA2 GLY 20 1.223 -8.882 8.826 170 HA3 GLY 20 HA3 GLY 20 1.557 -8.943 10.553 171 H GLU 21 H GLU 21 -1.193 -7.411 8.928 172 HA GLU 21 HA GLU 21 -3.112 -8.402 10.749 173 HB2 GLU 21 HB2 GLU 21 -3.357 -6.987 8.073 174 HB3 GLU 21 HB3 GLU 21 -4.775 -7.428 9.026 175 HG2 GLU 21 HG2 GLU 21 -2.545 -5.571 9.917 176 HG3 GLU 21 HG3 GLU 21 -4.121 -5.063 9.317 177 H ARG 22 H ARG 22 -4.655 -9.980 10.634 178 HA ARG 22 HA ARG 22 -4.208 -12.329 9.069 179 HB2 ARG 22 HB2 ARG 22 -6.733 -11.594 10.625 180 HB3 ARG 22 HB3 ARG 22 -6.251 -13.212 10.115 181 HG2 ARG 22 HG2 ARG 22 -4.852 -11.471 12.173 182 HG3 ARG 22 HG3 ARG 22 -5.854 -12.890 12.500 183 HD2 ARG 22 HD2 ARG 22 -4.221 -14.333 11.384 184 HD3 ARG 22 HD3 ARG 22 -3.237 -12.931 10.940 185 HE ARG 22 HE ARG 22 -3.509 -14.152 13.587 186 HH11 ARG 22 HH11 ARG 22 -2.118 -11.587 11.709 187 HH12 ARG 22 HH12 ARG 22 -0.988 -11.170 12.942 188 HH21 ARG 22 HH21 ARG 22 -2.053 -13.567 15.143 189 HH22 ARG 22 HH22 ARG 22 -0.954 -12.264 14.852 190 H ASN 23 H ASN 23 -5.108 -12.961 7.159 191 HA ASN 23 HA ASN 23 -6.053 -12.889 5.096 192 HB2 ASN 23 HB2 ASN 23 -8.283 -11.302 6.459 193 HB3 ASN 23 HB3 ASN 23 -8.409 -12.142 4.917 194 HD21 ASN 23 HD21 ASN 23 -9.866 -12.448 7.514 195 HD22 ASN 23 HD22 ASN 23 -9.741 -14.126 7.891 196 H GLY 24 H GLY 24 -4.304 -10.639 6.081 197 HA2 GLY 24 HA2 GLY 24 -3.223 -8.983 4.853 198 HA3 GLY 24 HA3 GLY 24 -4.568 -8.937 3.728 199 H SER 25 H SER 25 -3.627 -6.612 4.258 200 HA SER 25 HA SER 25 -5.284 -5.282 6.322 201 HB2 SER 25 HB2 SER 25 -2.829 -4.228 4.834 202 HB3 SER 25 HB3 SER 25 -3.674 -3.418 6.156 203 HG SER 25 HG SER 25 -2.816 -5.984 6.721 204 H SER 26 H SER 26 -7.013 -4.111 5.590 205 HA SER 26 HA SER 26 -7.742 -3.736 2.884 206 HB2 SER 26 HB2 SER 26 -8.682 -2.083 5.273 207 HB3 SER 26 HB3 SER 26 -9.526 -2.278 3.732 208 HG SER 26 HG SER 26 -9.366 -4.666 4.385 209 H LEU 27 H LEU 27 -8.019 -1.594 1.742 210 HA LEU 27 HA LEU 27 -5.614 -0.225 1.358 211 HB2 LEU 27 HB2 LEU 27 -7.439 -0.305 -0.308 212 HB3 LEU 27 HB3 LEU 27 -8.430 0.726 0.710 213 HG LEU 27 HG LEU 27 -6.780 2.599 0.385 214 HD11 LEU 27 HD11 LEU 27 -5.422 0.714 -1.573 215 HD12 LEU 27 HD12 LEU 27 -4.752 1.313 -0.051 216 HD13 LEU 27 HD13 LEU 27 -5.061 2.433 -1.375 217 HD21 LEU 27 HD21 LEU 27 -8.782 2.465 -1.036 218 HD22 LEU 27 HD22 LEU 27 -7.907 1.464 -2.200 219 HD23 LEU 27 HD23 LEU 27 -7.415 3.138 -1.928 220 H ALA 28 H ALA 28 -8.379 0.710 3.390 221 HA ALA 28 HA ALA 28 -7.422 3.232 4.298 222 HB1 ALA 28 HB1 ALA 28 -9.140 3.023 6.053 223 HB2 ALA 28 HB2 ALA 28 -9.337 1.311 5.658 224 HB3 ALA 28 HB3 ALA 28 -9.775 2.544 4.476 225 H LYS 29 H LYS 29 -7.046 -0.061 5.633 226 HA LYS 29 HA LYS 29 -5.685 0.633 8.031 227 HB2 LYS 29 HB2 LYS 29 -6.868 -1.522 7.702 228 HB3 LYS 29 HB3 LYS 29 -5.714 -1.982 6.465 229 HG2 LYS 29 HG2 LYS 29 -4.961 -3.204 8.297 230 HG3 LYS 29 HG3 LYS 29 -3.928 -1.783 8.376 231 HD2 LYS 29 HD2 LYS 29 -6.466 -2.096 10.028 232 HD3 LYS 29 HD3 LYS 29 -4.881 -2.618 10.597 233 HE2 LYS 29 HE2 LYS 29 -4.078 -0.265 10.451 234 HE3 LYS 29 HE3 LYS 29 -5.678 0.237 9.897 235 HZ1 LYS 29 HZ1 LYS 29 -5.022 -0.972 12.517 236 HZ2 LYS 29 HZ2 LYS 29 -6.581 -0.597 11.992 237 HZ3 LYS 29 HZ3 LYS 29 -5.445 0.636 12.224 238 H ILE 30 H ILE 30 -4.552 -0.271 4.796 239 HA ILE 30 HA ILE 30 -1.770 -0.311 5.244 240 HB ILE 30 HB ILE 30 -3.403 0.167 2.713 241 HG12 ILE 30 HG12 ILE 30 -1.825 -2.260 3.681 242 HG13 ILE 30 HG13 ILE 30 -3.576 -2.095 3.715 243 HG21 ILE 30 HG21 ILE 30 -1.356 -0.188 1.360 244 HG22 ILE 30 HG22 ILE 30 -0.380 -0.175 2.827 245 HG23 ILE 30 HG23 ILE 30 -1.247 1.280 2.334 246 HD11 ILE 30 HD11 ILE 30 -1.848 -2.248 1.241 247 HD12 ILE 30 HD12 ILE 30 -3.605 -2.060 1.260 248 HD13 ILE 30 HD13 ILE 30 -2.868 -3.526 1.905 249 H TYR 31 H TYR 31 -3.971 2.271 4.199 250 HA TYR 31 HA TYR 31 -2.193 4.348 3.712 251 HB2 TYR 31 HB2 TYR 31 -4.622 4.385 3.179 252 HB3 TYR 31 HB3 TYR 31 -4.993 4.525 4.891 253 HD1 TYR 31 HD2 TYR 31 -3.558 6.310 1.965 254 HD2 TYR 31 HD1 TYR 31 -4.833 6.677 6.032 255 HE1 TYR 31 HE2 TYR 31 -3.473 8.759 1.772 256 HE2 TYR 31 HE1 TYR 31 -4.736 9.123 5.835 257 HH TYR 31 HH TYR 31 -4.541 10.700 2.862 258 H THR 32 H THR 32 -3.477 3.201 6.807 259 HA THR 32 HA THR 32 -2.825 5.301 8.516 260 HB THR 32 HB THR 32 -2.737 2.340 9.253 261 HG1 THR 32 HG1 THR 32 -4.735 2.691 8.409 262 HG21 THR 32 HG21 THR 32 -3.289 4.792 10.982 263 HG22 THR 32 HG22 THR 32 -1.827 3.806 11.040 264 HG23 THR 32 HG23 THR 32 -3.375 3.112 11.524 265 H GLU 33 H GLU 33 -0.713 2.549 7.565 266 HA GLU 33 HA GLU 33 1.568 3.624 9.061 267 HB2 GLU 33 HB2 GLU 33 1.458 1.243 7.175 268 HB3 GLU 33 HB3 GLU 33 2.798 1.656 8.242 269 HG2 GLU 33 HG2 GLU 33 0.016 0.761 9.063 270 HG3 GLU 33 HG3 GLU 33 1.502 -0.187 9.158 271 H ALA 34 H ALA 34 0.391 3.519 5.769 272 HA ALA 34 HA ALA 34 2.814 4.145 4.408 273 HB1 ALA 34 HB1 ALA 34 0.915 3.061 3.294 274 HB2 ALA 34 HB2 ALA 34 1.380 4.543 2.457 275 HB3 ALA 34 HB3 ALA 34 -0.053 4.525 3.491 276 H LYS 35 H LYS 35 0.377 6.162 5.969 277 HA LYS 35 HA LYS 35 1.247 8.652 4.784 278 HB2 LYS 35 HB2 LYS 35 -0.303 9.743 6.313 279 HB3 LYS 35 HB3 LYS 35 -1.075 8.347 5.565 280 HG2 LYS 35 HG2 LYS 35 -0.704 7.034 7.621 281 HG3 LYS 35 HG3 LYS 35 0.085 8.429 8.371 282 HD2 LYS 35 HD2 LYS 35 -2.022 9.711 8.230 283 HD3 LYS 35 HD3 LYS 35 -2.818 8.345 7.436 284 HE2 LYS 35 HE2 LYS 35 -2.517 6.979 9.447 285 HE3 LYS 35 HE3 LYS 35 -1.644 8.294 10.240 286 HZ1 LYS 35 HZ1 LYS 35 -3.911 8.192 10.981 287 HZ2 LYS 35 HZ2 LYS 35 -4.490 8.329 9.398 288 HZ3 LYS 35 HZ3 LYS 35 -3.669 9.620 10.111 289 H LYS 36 H LYS 36 2.597 6.711 7.200 290 HA LYS 36 HA LYS 36 3.612 8.792 8.960 291 HB2 LYS 36 HB2 LYS 36 4.159 5.795 8.848 292 HB3 LYS 36 HB3 LYS 36 4.739 6.868 10.123 293 HG2 LYS 36 HG2 LYS 36 2.403 7.381 10.755 294 HG3 LYS 36 HG3 LYS 36 1.823 6.306 9.475 295 HD2 LYS 36 HD2 LYS 36 2.901 4.383 10.581 296 HD3 LYS 36 HD3 LYS 36 3.543 5.445 11.839 297 HE2 LYS 36 HE2 LYS 36 1.240 5.966 12.569 298 HE3 LYS 36 HE3 LYS 36 0.596 4.919 11.297 299 HZ1 LYS 36 HZ1 LYS 36 2.333 4.040 13.540 300 HZ2 LYS 36 HZ2 LYS 36 1.681 3.042 12.337 301 HZ3 LYS 36 HZ3 LYS 36 0.661 3.815 13.436 302 H VAL 37 H VAL 37 4.558 8.459 5.966 303 HA VAL 37 HA VAL 37 7.481 8.563 6.491 304 HB VAL 37 HB VAL 37 6.906 8.366 3.614 305 HG11 VAL 37 HG11 VAL 37 8.415 6.450 3.695 306 HG12 VAL 37 HG12 VAL 37 8.346 6.434 5.462 307 HG13 VAL 37 HG13 VAL 37 9.072 7.806 4.616 308 HG21 VAL 37 HG21 VAL 37 5.984 6.091 3.500 309 HG22 VAL 37 HG22 VAL 37 4.846 7.214 4.244 310 HG23 VAL 37 HG23 VAL 37 5.755 6.087 5.252 311 HA PRO 38 HA PRO 38 7.183 12.959 5.820 312 HB2 PRO 38 HB2 PRO 38 9.773 13.552 5.044 313 HB3 PRO 38 HB3 PRO 38 9.313 13.166 6.708 314 HG2 PRO 38 HG2 PRO 38 10.452 11.335 4.582 315 HG3 PRO 38 HG3 PRO 38 10.969 11.531 6.273 316 HD2 PRO 38 HD2 PRO 38 9.396 9.485 5.577 317 HD3 PRO 38 HD3 PRO 38 9.109 10.342 7.113 318 H TRP 39 H TRP 39 8.245 10.950 3.113 319 HA TRP 39 HA TRP 39 8.020 13.129 1.163 320 HB2 TRP 39 HB2 TRP 39 8.771 11.418 -0.492 321 HB3 TRP 39 HB3 TRP 39 9.886 11.630 0.847 322 HD1 TRP 39 HD1 TRP 39 10.360 9.534 2.397 323 HE1 TRP 39 HE1 TRP 39 9.820 7.036 2.182 324 HE3 TRP 39 HE3 TRP 39 6.861 9.737 -1.348 325 HZ2 TRP 39 HZ2 TRP 39 8.130 5.366 0.694 326 HZ3 TRP 39 HZ3 TRP 39 5.828 7.635 -2.099 327 HH2 TRP 39 HH2 TRP 39 6.451 5.493 -1.100 328 H PHE 40 H PHE 40 5.987 10.656 2.441 329 HA PHE 40 HA PHE 40 4.335 10.045 0.222 330 HB2 PHE 40 HB2 PHE 40 4.422 8.709 2.318 331 HB3 PHE 40 HB3 PHE 40 3.663 10.022 3.207 332 HD1 PHE 40 HD2 PHE 40 3.115 7.391 0.657 333 HD2 PHE 40 HD1 PHE 40 1.237 10.358 3.098 334 HE1 PHE 40 HE2 PHE 40 0.910 6.428 0.147 335 HE2 PHE 40 HE1 PHE 40 -0.966 9.377 2.584 336 HZ PHE 40 HZ PHE 40 -1.128 7.415 1.111 337 H ASP 41 H ASP 41 2.465 10.964 -0.576 338 HA ASP 41 HA ASP 41 1.637 13.632 0.450 339 HB2 ASP 41 HB2 ASP 41 2.340 13.427 -2.005 340 HB3 ASP 41 HB3 ASP 41 0.932 12.392 -2.258 341 H GLN 42 H GLN 42 -0.443 13.891 1.252 342 HA GLN 42 HA GLN 42 -1.829 11.514 2.084 343 HB2 GLN 42 HB2 GLN 42 -2.693 14.418 2.437 344 HB3 GLN 42 HB3 GLN 42 -3.318 13.022 3.322 345 HG2 GLN 42 HG2 GLN 42 -0.470 14.075 3.446 346 HG3 GLN 42 HG3 GLN 42 -1.712 14.319 4.666 347 HE21 GLN 42 HE21 GLN 42 -2.726 11.619 4.604 348 HE22 GLN 42 HE22 GLN 42 -1.540 10.624 5.335 349 H GLN 43 H GLN 43 -2.391 13.847 -0.484 350 HA GLN 43 HA GLN 43 -5.185 13.039 -0.926 351 HB2 GLN 43 HB2 GLN 43 -3.499 15.063 -2.475 352 HB3 GLN 43 HB3 GLN 43 -5.254 14.868 -2.562 353 HG2 GLN 43 HG2 GLN 43 -5.444 15.601 -0.221 354 HG3 GLN 43 HG3 GLN 43 -3.695 15.780 -0.123 355 HE21 GLN 43 HE21 GLN 43 -2.709 17.500 -1.277 356 HE22 GLN 43 HE22 GLN 43 -3.623 18.869 -1.799 357 H ASN 44 H ASN 44 -2.355 13.463 -3.049 358 HA ASN 44 HA ASN 44 -3.407 11.787 -5.128 359 HB2 ASN 44 HB2 ASN 44 -0.580 12.913 -4.930 360 HB3 ASN 44 HB3 ASN 44 -1.422 12.383 -6.385 361 HD21 ASN 44 HD21 ASN 44 -3.339 13.643 -7.026 362 HD22 ASN 44 HD22 ASN 44 -3.388 15.327 -6.657 363 H GLY 45 H GLY 45 -0.973 11.426 -2.588 364 HA2 GLY 45 HA2 GLY 45 0.189 8.970 -3.372 365 HA3 GLY 45 HA3 GLY 45 0.134 9.612 -1.740 366 H ARG 46 H ARG 46 -2.821 9.668 -1.667 367 HA ARG 46 HA ARG 46 -3.558 7.097 -0.782 368 HB2 ARG 46 HB2 ARG 46 -4.787 9.111 -0.128 369 HB3 ARG 46 HB3 ARG 46 -5.231 9.432 -1.795 370 HG2 ARG 46 HG2 ARG 46 -7.152 8.595 -0.589 371 HG3 ARG 46 HG3 ARG 46 -6.669 7.413 -1.805 372 HD2 ARG 46 HD2 ARG 46 -5.662 5.998 -0.111 373 HD3 ARG 46 HD3 ARG 46 -5.897 7.233 1.130 374 HE ARG 46 HE ARG 46 -8.412 6.682 0.147 375 HH11 ARG 46 HH11 ARG 46 -5.957 4.804 1.720 376 HH12 ARG 46 HH12 ARG 46 -7.104 3.764 2.475 377 HH21 ARG 46 HH21 ARG 46 -9.839 5.356 1.120 378 HH22 ARG 46 HH22 ARG 46 -9.286 4.069 2.132 379 H THR 47 H THR 47 -4.133 8.715 -3.919 380 HA THR 47 HA THR 47 -5.362 6.517 -5.260 381 HB THR 47 HB THR 47 -3.884 8.876 -6.521 382 HG1 THR 47 HG1 THR 47 -5.505 9.985 -5.768 383 HG21 THR 47 HG21 THR 47 -6.038 7.070 -7.716 384 HG22 THR 47 HG22 THR 47 -4.330 7.044 -8.157 385 HG23 THR 47 HG23 THR 47 -5.310 8.469 -8.507 386 H TYR 48 H TYR 48 -1.993 7.607 -4.954 387 HA TYR 48 HA TYR 48 -0.838 5.794 -6.814 388 HB2 TYR 48 HB2 TYR 48 0.466 7.179 -4.434 389 HB3 TYR 48 HB3 TYR 48 1.341 6.329 -5.702 390 HD1 TYR 48 HD1 TYR 48 -0.464 7.434 -8.040 391 HD2 TYR 48 HD2 TYR 48 1.576 9.301 -4.780 392 HE1 TYR 48 HE1 TYR 48 -0.294 9.520 -9.327 393 HE2 TYR 48 HE2 TYR 48 1.739 11.386 -6.063 394 HH TYR 48 HH TYR 48 1.688 12.147 -8.326 395 H LEU 49 H LEU 49 -1.614 5.452 -3.341 396 HA LEU 49 HA LEU 49 -0.434 2.886 -2.946 397 HB2 LEU 49 HB2 LEU 49 -2.897 4.117 -1.636 398 HB3 LEU 49 HB3 LEU 49 -2.173 2.598 -1.126 399 HG LEU 49 HG LEU 49 -0.880 5.348 -0.950 400 HD11 LEU 49 HD11 LEU 49 -2.658 4.990 0.703 401 HD12 LEU 49 HD12 LEU 49 -1.076 5.048 1.476 402 HD13 LEU 49 HD13 LEU 49 -1.883 3.494 1.239 403 HD21 LEU 49 HD21 LEU 49 0.252 2.649 -0.117 404 HD22 LEU 49 HD22 LEU 49 0.978 4.221 0.233 405 HD23 LEU 49 HD23 LEU 49 0.839 3.670 -1.434 406 H LYS 50 H LYS 50 -3.755 3.880 -3.772 407 HA LYS 50 HA LYS 50 -4.964 1.384 -4.072 408 HB2 LYS 50 HB2 LYS 50 -6.149 3.526 -3.820 409 HB3 LYS 50 HB3 LYS 50 -5.591 4.061 -5.397 410 HG2 LYS 50 HG2 LYS 50 -7.233 1.547 -5.283 411 HG3 LYS 50 HG3 LYS 50 -8.061 3.072 -4.969 412 HD2 LYS 50 HD2 LYS 50 -7.306 3.937 -7.171 413 HD3 LYS 50 HD3 LYS 50 -6.456 2.419 -7.481 414 HE2 LYS 50 HE2 LYS 50 -9.462 2.724 -7.118 415 HE3 LYS 50 HE3 LYS 50 -8.624 2.484 -8.653 416 HZ1 LYS 50 HZ1 LYS 50 -9.540 0.421 -7.797 417 HZ2 LYS 50 HZ2 LYS 50 -8.634 0.571 -6.381 418 HZ3 LYS 50 HZ3 LYS 50 -7.853 0.344 -7.865 419 H TYR 51 H TYR 51 -3.103 3.254 -6.426 420 HA TYR 51 HA TYR 51 -3.682 1.517 -8.673 421 HB2 TYR 51 HB2 TYR 51 -2.726 4.189 -8.402 422 HB3 TYR 51 HB3 TYR 51 -1.387 3.318 -9.129 423 HD1 TYR 51 HD1 TYR 51 -2.008 1.792 -11.206 424 HD2 TYR 51 HD2 TYR 51 -4.436 5.018 -9.798 425 HE1 TYR 51 HE1 TYR 51 -3.109 1.916 -13.400 426 HE2 TYR 51 HE2 TYR 51 -5.536 5.150 -11.985 427 HH TYR 51 HH TYR 51 -5.136 2.705 -14.400 428 H SER 52 H SER 52 -0.821 2.129 -6.580 429 HA SER 52 HA SER 52 0.997 0.390 -7.882 430 HB2 SER 52 HB2 SER 52 2.362 0.470 -5.836 431 HB3 SER 52 HB3 SER 52 1.730 2.075 -6.197 432 HG SER 52 HG SER 52 0.467 1.985 -4.485 433 H ILE 53 H ILE 53 -1.187 -0.181 -5.151 434 HA ILE 53 HA ILE 53 -0.658 -2.843 -4.546 435 HB ILE 53 HB ILE 53 -3.249 -1.250 -4.387 436 HG12 ILE 53 HG12 ILE 53 -1.236 -2.090 -2.251 437 HG13 ILE 53 HG13 ILE 53 -1.387 -0.480 -2.938 438 HG21 ILE 53 HG21 ILE 53 -3.910 -3.606 -4.519 439 HG22 ILE 53 HG22 ILE 53 -4.177 -2.982 -2.891 440 HG23 ILE 53 HG23 ILE 53 -2.785 -4.018 -3.221 441 HD11 ILE 53 HD11 ILE 53 -2.370 -0.560 -0.748 442 HD12 ILE 53 HD12 ILE 53 -3.429 -1.887 -1.223 443 HD13 ILE 53 HD13 ILE 53 -3.630 -0.291 -1.950 444 H LYS 54 H LYS 54 -2.925 -1.526 -6.988 445 HA LYS 54 HA LYS 54 -4.005 -3.959 -7.933 446 HB2 LYS 54 HB2 LYS 54 -4.783 -1.521 -8.374 447 HB3 LYS 54 HB3 LYS 54 -3.584 -1.477 -9.656 448 HG2 LYS 54 HG2 LYS 54 -5.896 -3.451 -9.518 449 HG3 LYS 54 HG3 LYS 54 -5.948 -1.924 -10.399 450 HD2 LYS 54 HD2 LYS 54 -4.117 -2.719 -11.871 451 HD3 LYS 54 HD3 LYS 54 -4.054 -4.240 -10.978 452 HE2 LYS 54 HE2 LYS 54 -6.446 -4.655 -11.660 453 HE3 LYS 54 HE3 LYS 54 -6.348 -3.221 -12.688 454 HZ1 LYS 54 HZ1 LYS 54 -4.786 -5.728 -12.918 455 HZ2 LYS 54 HZ2 LYS 54 -4.414 -4.327 -13.786 456 HZ3 LYS 54 HZ3 LYS 54 -5.898 -5.096 -14.025 457 H ALA 55 H ALA 55 -1.198 -2.060 -9.014 458 HA ALA 55 HA ALA 55 -0.388 -3.702 -11.184 459 HB1 ALA 55 HB1 ALA 55 0.332 -1.355 -10.928 460 HB2 ALA 55 HB2 ALA 55 1.721 -2.432 -11.096 461 HB3 ALA 55 HB3 ALA 55 1.283 -1.795 -9.508 462 H LEU 56 H LEU 56 0.358 -3.810 -7.723 463 HA LEU 56 HA LEU 56 2.410 -5.820 -7.907 464 HB2 LEU 56 HB2 LEU 56 0.827 -4.777 -5.541 465 HB3 LEU 56 HB3 LEU 56 2.134 -5.945 -5.399 466 HG LEU 56 HG LEU 56 2.429 -3.084 -6.409 467 HD11 LEU 56 HD11 LEU 56 3.643 -2.665 -4.308 468 HD12 LEU 56 HD12 LEU 56 3.265 -4.300 -3.758 469 HD13 LEU 56 HD13 LEU 56 1.967 -3.132 -4.020 470 HD21 LEU 56 HD21 LEU 56 4.585 -5.170 -5.921 471 HD22 LEU 56 HD22 LEU 56 4.854 -3.482 -6.364 472 HD23 LEU 56 HD23 LEU 56 4.054 -4.571 -7.495 473 H VAL 57 H VAL 57 -1.094 -5.873 -7.305 474 HA VAL 57 HA VAL 57 -1.330 -8.682 -6.770 475 HB VAL 57 HB VAL 57 -3.377 -6.626 -7.738 476 HG11 VAL 57 HG11 VAL 57 -5.158 -8.273 -7.192 477 HG12 VAL 57 HG12 VAL 57 -3.927 -9.504 -6.900 478 HG13 VAL 57 HG13 VAL 57 -4.139 -8.839 -8.521 479 HG21 VAL 57 HG21 VAL 57 -4.243 -6.749 -5.427 480 HG22 VAL 57 HG22 VAL 57 -2.541 -6.279 -5.431 481 HG23 VAL 57 HG23 VAL 57 -2.999 -7.932 -5.011 482 H GLN 58 H GLN 58 -1.248 -6.708 -9.671 483 HA GLN 58 HA GLN 58 -1.980 -8.610 -11.625 484 HB2 GLN 58 HB2 GLN 58 -2.088 -6.242 -12.079 485 HB3 GLN 58 HB3 GLN 58 -0.394 -6.015 -11.691 486 HG2 GLN 58 HG2 GLN 58 -0.874 -7.862 -13.951 487 HG3 GLN 58 HG3 GLN 58 -1.437 -6.220 -14.229 488 HE21 GLN 58 HE21 GLN 58 0.123 -5.856 -15.820 489 HE22 GLN 58 HE22 GLN 58 1.797 -5.655 -15.461 490 H ASN 59 H ASN 59 1.253 -7.623 -10.362 491 HA ASN 59 HA ASN 59 2.556 -9.755 -11.928 492 HB2 ASN 59 HB2 ASN 59 4.692 -8.699 -11.232 493 HB3 ASN 59 HB3 ASN 59 3.619 -7.565 -12.037 494 HD21 ASN 59 HD21 ASN 59 4.474 -5.717 -11.160 495 HD22 ASN 59 HD22 ASN 59 4.406 -5.328 -9.481 496 H ASP 60 H ASP 60 0.913 -9.859 -9.211 497 HA ASP 60 HA ASP 60 0.585 -11.463 -7.672 498 HB2 ASP 60 HB2 ASP 60 2.992 -12.924 -8.810 499 HB3 ASP 60 HB3 ASP 60 1.719 -13.617 -7.811 500 H THR 61 H THR 61 2.781 -9.257 -7.270 501 HA THR 61 HA THR 61 4.422 -10.214 -5.122 502 HB THR 61 HB THR 61 3.575 -7.401 -5.927 503 HG1 THR 61 HG1 THR 61 5.121 -7.765 -7.309 504 HG21 THR 61 HG21 THR 61 4.072 -7.335 -3.506 505 HG22 THR 61 HG22 THR 61 5.346 -6.530 -4.424 506 HG23 THR 61 HG23 THR 61 5.610 -8.153 -3.785 507 H LEU 62 H LEU 62 1.258 -8.576 -5.276 508 HA LEU 62 HA LEU 62 0.753 -9.211 -2.423 509 HB2 LEU 62 HB2 LEU 62 -0.712 -7.238 -4.228 510 HB3 LEU 62 HB3 LEU 62 -1.101 -7.566 -2.543 511 HG LEU 62 HG LEU 62 1.388 -6.183 -3.613 512 HD11 LEU 62 HD11 LEU 62 0.566 -4.250 -2.354 513 HD12 LEU 62 HD12 LEU 62 -0.855 -5.162 -1.841 514 HD13 LEU 62 HD13 LEU 62 -0.617 -4.780 -3.548 515 HD21 LEU 62 HD21 LEU 62 2.099 -5.895 -1.264 516 HD22 LEU 62 HD22 LEU 62 2.088 -7.586 -1.755 517 HD23 LEU 62 HD23 LEU 62 0.787 -6.957 -0.740 518 H LEU 63 H LEU 63 -1.160 -10.204 -1.837 519 HA LEU 63 HA LEU 63 -2.803 -11.528 -3.915 520 HB2 LEU 63 HB2 LEU 63 -2.270 -12.333 -1.023 521 HB3 LEU 63 HB3 LEU 63 -3.403 -13.150 -2.092 522 HG LEU 63 HG LEU 63 -0.387 -12.999 -2.508 523 HD11 LEU 63 HD11 LEU 63 -0.377 -15.398 -1.968 524 HD12 LEU 63 HD12 LEU 63 -2.102 -15.333 -1.596 525 HD13 LEU 63 HD13 LEU 63 -0.949 -14.428 -0.610 526 HD21 LEU 63 HD21 LEU 63 -1.561 -13.107 -4.659 527 HD22 LEU 63 HD22 LEU 63 -2.485 -14.509 -4.117 528 HD23 LEU 63 HD23 LEU 63 -0.736 -14.631 -4.332 529 H GLN 64 H GLN 64 -4.858 -10.873 -4.042 530 HA GLN 64 HA GLN 64 -5.903 -8.871 -2.173 531 HB2 GLN 64 HB2 GLN 64 -6.010 -8.437 -4.601 532 HB3 GLN 64 HB3 GLN 64 -7.007 -9.869 -4.835 533 HG2 GLN 64 HG2 GLN 64 -8.815 -8.846 -3.519 534 HG3 GLN 64 HG3 GLN 64 -7.801 -7.442 -3.188 535 HE21 GLN 64 HE21 GLN 64 -8.069 -9.091 -6.329 536 HE22 GLN 64 HE22 GLN 64 -8.810 -7.766 -7.144 537 H VAL 65 H VAL 65 -6.896 -9.667 -0.422 538 HA VAL 65 HA VAL 65 -8.493 -12.147 -0.548 539 HB VAL 65 HB VAL 65 -7.677 -10.637 1.968 540 HG11 VAL 65 HG11 VAL 65 -9.598 -12.161 2.274 541 HG12 VAL 65 HG12 VAL 65 -8.178 -12.777 3.119 542 HG13 VAL 65 HG13 VAL 65 -8.670 -13.500 1.586 543 HG21 VAL 65 HG21 VAL 65 -5.851 -12.285 2.251 544 HG22 VAL 65 HG22 VAL 65 -5.627 -11.308 0.799 545 HG23 VAL 65 HG23 VAL 65 -6.217 -12.969 0.662 546 H LYS 66 H LYS 66 -10.406 -11.454 -1.399 547 HA LYS 66 HA LYS 66 -11.964 -9.300 -0.110 548 HB2 LYS 66 HB2 LYS 66 -13.532 -9.636 -2.051 549 HB3 LYS 66 HB3 LYS 66 -11.906 -9.152 -2.519 550 HG2 LYS 66 HG2 LYS 66 -11.369 -11.403 -3.239 551 HG3 LYS 66 HG3 LYS 66 -12.891 -12.027 -2.599 552 HD2 LYS 66 HD2 LYS 66 -12.901 -9.881 -4.751 553 HD3 LYS 66 HD3 LYS 66 -12.661 -11.573 -5.184 554 HE2 LYS 66 HE2 LYS 66 -15.027 -10.888 -5.413 555 HE3 LYS 66 HE3 LYS 66 -14.838 -12.163 -4.218 556 HZ1 LYS 66 HZ1 LYS 66 -15.090 -10.575 -2.472 557 HZ2 LYS 66 HZ2 LYS 66 -16.375 -10.391 -3.550 558 HZ3 LYS 66 HZ3 LYS 66 -15.100 -9.287 -3.562 559 H GLY 67 H GLY 67 -11.488 -11.709 1.372 560 HA2 GLY 67 HA2 GLY 67 -14.281 -12.641 1.807 561 HA3 GLY 67 HA3 GLY 67 -12.931 -13.773 1.779 562 H THR 68 H THR 68 -13.468 -10.562 3.283 563 HA THR 68 HA THR 68 -12.887 -11.659 5.962 564 HB THR 68 HB THR 68 -10.708 -10.930 5.133 565 HG1 THR 68 HG1 THR 68 -10.624 -8.907 6.718 566 HG21 THR 68 HG21 THR 68 -11.960 -8.196 4.655 567 HG22 THR 68 HG22 THR 68 -11.395 -9.314 3.408 568 HG23 THR 68 HG23 THR 68 -10.244 -8.575 4.523 569 H GLY 69 H GLY 69 -15.112 -10.015 4.249 570 HA2 GLY 69 HA2 GLY 69 -16.963 -9.358 5.923 571 HA3 GLY 69 HA3 GLY 69 -15.828 -8.116 6.422 572 H ALA 70 H ALA 70 -16.599 -6.203 5.718 573 HA ALA 70 HA ALA 70 -17.900 -5.948 3.080 574 HB1 ALA 70 HB1 ALA 70 -18.659 -3.749 3.894 575 HB2 ALA 70 HB2 ALA 70 -17.711 -3.957 5.370 576 HB3 ALA 70 HB3 ALA 70 -19.074 -5.026 5.039 577 H ASN 71 H ASN 71 -14.818 -6.014 3.882 578 HA ASN 71 HA ASN 71 -13.987 -3.730 2.195 579 HB2 ASN 71 HB2 ASN 71 -11.865 -3.680 3.670 580 HB3 ASN 71 HB3 ASN 71 -13.342 -3.025 4.361 581 HD21 ASN 71 HD21 ASN 71 -12.437 -3.302 6.435 582 HD22 ASN 71 HD22 ASN 71 -12.371 -4.850 7.194 583 H GLY 72 H GLY 72 -12.299 -4.048 0.767 584 HA2 GLY 72 HA2 GLY 72 -11.452 -6.802 0.151 585 HA3 GLY 72 HA3 GLY 72 -11.229 -5.378 -0.855 586 H SER 73 H SER 73 -9.742 -7.431 1.440 587 HA SER 73 HA SER 73 -7.678 -5.489 2.218 588 HB2 SER 73 HB2 SER 73 -8.240 -8.324 3.173 589 HB3 SER 73 HB3 SER 73 -6.902 -7.332 3.761 590 HG SER 73 HG SER 73 -8.973 -7.315 4.977 591 H PHE 74 H PHE 74 -5.388 -6.195 2.215 592 HA PHE 74 HA PHE 74 -4.596 -7.762 -0.171 593 HB2 PHE 74 HB2 PHE 74 -3.430 -5.003 0.450 594 HB3 PHE 74 HB3 PHE 74 -3.210 -5.959 -1.012 595 HD1 PHE 74 HD1 PHE 74 -5.427 -6.449 -2.400 596 HD2 PHE 74 HD2 PHE 74 -5.014 -3.258 0.429 597 HE1 PHE 74 HE1 PHE 74 -7.311 -5.257 -3.447 598 HE2 PHE 74 HE2 PHE 74 -6.893 -2.077 -0.636 599 HZ PHE 74 HZ PHE 74 -8.039 -3.075 -2.570 600 H LYS 75 H LYS 75 -2.739 -8.947 0.173 601 HA LYS 75 HA LYS 75 -1.078 -8.398 2.565 602 HB2 LYS 75 HB2 LYS 75 -1.029 -10.775 3.168 603 HB3 LYS 75 HB3 LYS 75 -2.673 -10.161 3.203 604 HG2 LYS 75 HG2 LYS 75 -3.157 -11.222 1.048 605 HG3 LYS 75 HG3 LYS 75 -1.495 -11.813 0.946 606 HD2 LYS 75 HD2 LYS 75 -3.549 -12.593 3.063 607 HD3 LYS 75 HD3 LYS 75 -3.043 -13.588 1.695 608 HE2 LYS 75 HE2 LYS 75 -0.737 -13.632 2.614 609 HE3 LYS 75 HE3 LYS 75 -1.271 -12.683 3.997 610 HZ1 LYS 75 HZ1 LYS 75 -2.757 -14.477 4.597 611 HZ2 LYS 75 HZ2 LYS 75 -1.161 -15.029 4.500 612 HZ3 LYS 75 HZ3 LYS 75 -2.252 -15.376 3.259 613 H LEU 76 H LEU 76 0.972 -9.730 2.569 614 HA LEU 76 HA LEU 76 2.307 -9.612 0.004 615 HB2 LEU 76 HB2 LEU 76 3.340 -10.712 2.653 616 HB3 LEU 76 HB3 LEU 76 4.311 -10.334 1.233 617 HG LEU 76 HG LEU 76 2.866 -8.348 3.041 618 HD11 LEU 76 HD11 LEU 76 5.105 -7.497 3.534 619 HD12 LEU 76 HD12 LEU 76 5.827 -8.738 2.504 620 HD13 LEU 76 HD13 LEU 76 4.959 -9.198 3.972 621 HD21 LEU 76 HD21 LEU 76 3.804 -6.556 1.626 622 HD22 LEU 76 HD22 LEU 76 2.658 -7.558 0.744 623 HD23 LEU 76 HD23 LEU 76 4.391 -7.763 0.478 624 H ASN 77 H ASN 77 2.703 -11.273 -1.377 625 HA ASN 77 HA ASN 77 1.377 -13.773 -1.113 626 HB2 ASN 77 HB2 ASN 77 1.946 -12.583 -3.287 627 HB3 ASN 77 HB3 ASN 77 3.617 -13.083 -3.070 628 HD21 ASN 77 HD21 ASN 77 1.713 -13.713 -5.217 629 HD22 ASN 77 HD22 ASN 77 1.632 -15.433 -5.291 630 H ARG 78 H ARG 78 4.761 -12.780 -0.720 631 HA ARG 78 HA ARG 78 6.613 -13.632 0.187 632 HB2 ARG 78 HB2 ARG 78 5.186 -14.179 2.157 633 HB3 ARG 78 HB3 ARG 78 4.851 -15.764 1.480 634 HG2 ARG 78 HG2 ARG 78 7.718 -14.961 1.985 635 HG3 ARG 78 HG3 ARG 78 6.717 -15.430 3.354 636 HD2 ARG 78 HD2 ARG 78 6.431 -17.643 2.522 637 HD3 ARG 78 HD3 ARG 78 7.020 -17.212 0.920 638 HE ARG 78 HE ARG 78 9.236 -17.082 1.783 639 HH11 ARG 78 HH11 ARG 78 7.018 -18.430 4.100 640 HH12 ARG 78 HH12 ARG 78 8.282 -19.246 4.958 641 HH21 ARG 78 HH21 ARG 78 10.799 -18.140 2.905 642 HH22 ARG 78 HH22 ARG 78 10.373 -19.089 4.285 643 H LYS 79 H LYS 79 4.695 -16.546 -0.740 644 HA LYS 79 HA LYS 79 6.914 -17.797 -2.133 645 HB2 LYS 79 HB2 LYS 79 5.355 -19.605 -2.590 646 HB3 LYS 79 HB3 LYS 79 5.147 -19.093 -0.919 647 HG2 LYS 79 HG2 LYS 79 3.150 -17.730 -1.689 648 HG3 LYS 79 HG3 LYS 79 3.320 -18.500 -3.268 649 HD2 LYS 79 HD2 LYS 79 2.699 -19.876 -0.620 650 HD3 LYS 79 HD3 LYS 79 1.601 -19.655 -1.986 651 HE2 LYS 79 HE2 LYS 79 4.100 -21.389 -1.945 652 HE3 LYS 79 HE3 LYS 79 2.432 -21.958 -1.917 653 HZ1 LYS 79 HZ1 LYS 79 3.743 -20.497 -4.154 654 HZ2 LYS 79 HZ2 LYS 79 2.139 -21.014 -4.143 655 HZ3 LYS 79 HZ3 LYS 79 3.392 -22.150 -4.119 656 H LYS 80 H LYS 80 5.613 -15.111 -3.006 657 HA LYS 80 HA LYS 80 4.778 -14.963 -5.573 658 HB2 LYS 80 HB2 LYS 80 5.257 -13.083 -4.012 659 HB3 LYS 80 HB3 LYS 80 6.981 -13.328 -4.235 660 HG2 LYS 80 HG2 LYS 80 5.252 -12.682 -6.629 661 HG3 LYS 80 HG3 LYS 80 5.688 -11.397 -5.502 662 HD2 LYS 80 HD2 LYS 80 8.113 -11.933 -5.897 663 HD3 LYS 80 HD3 LYS 80 7.620 -13.131 -7.099 664 HE2 LYS 80 HE2 LYS 80 7.056 -10.150 -7.233 665 HE3 LYS 80 HE3 LYS 80 8.282 -11.011 -8.162 666 HZ1 LYS 80 HZ1 LYS 80 5.345 -11.426 -8.343 667 HZ2 LYS 80 HZ2 LYS 80 6.506 -12.284 -9.214 668 HZ3 LYS 80 HZ3 LYS 80 6.312 -10.623 -9.474 669 H LEU 81 H LEU 81 7.970 -16.005 -4.482 670 HA LEU 81 HA LEU 81 9.553 -16.036 -6.737 671 HB2 LEU 81 HB2 LEU 81 9.235 -18.180 -4.603 672 HB3 LEU 81 HB3 LEU 81 10.551 -18.168 -5.766 673 HG LEU 81 HG LEU 81 10.039 -16.035 -3.645 674 HD11 LEU 81 HD11 LEU 81 12.218 -18.145 -3.803 675 HD12 LEU 81 HD12 LEU 81 10.876 -18.101 -2.655 676 HD13 LEU 81 HD13 LEU 81 12.116 -16.852 -2.602 677 HD21 LEU 81 HD21 LEU 81 12.206 -15.073 -4.353 678 HD22 LEU 81 HD22 LEU 81 11.008 -15.020 -5.641 679 HD23 LEU 81 HD23 LEU 81 12.288 -16.236 -5.679 680 H GLU 82 H GLU 82 7.126 -18.473 -5.841 681 HA GLU 82 HA GLU 82 7.269 -19.926 -8.344 682 HB2 GLU 82 HB2 GLU 82 5.226 -20.095 -6.086 683 HB3 GLU 82 HB3 GLU 82 5.410 -21.249 -7.411 684 HG2 GLU 82 HG2 GLU 82 7.676 -21.825 -6.577 685 HG3 GLU 82 HG3 GLU 82 7.473 -20.680 -5.252 686 H GLY 83 H GLY 83 6.580 -18.807 -10.115 687 HA2 GLY 83 HA2 GLY 83 4.006 -18.357 -10.867 688 HA3 GLY 83 HA3 GLY 83 4.415 -16.867 -10.027 Start of MODEL 5 1 H1 SER 1 H1 SER 1 13.361 3.095 -17.147 2 H2 SER 1 H2 SER 1 12.045 4.157 -17.078 3 H3 SER 1 H3 SER 1 11.894 2.591 -16.471 4 HA SER 1 HA SER 1 13.656 4.717 -15.399 5 HB2 SER 1 HB2 SER 1 11.105 3.507 -14.235 6 HB3 SER 1 HB3 SER 1 12.123 4.700 -13.425 7 HG SER 1 HG SER 1 10.193 5.064 -15.292 8 H HIS 2 H HIS 2 12.085 1.730 -14.160 9 HA HIS 2 HA HIS 2 12.757 0.025 -12.843 10 HB2 HIS 2 HB2 HIS 2 13.841 -0.518 -15.078 11 HB3 HIS 2 HB3 HIS 2 15.349 0.135 -14.450 12 HD1 HIS 2 HD1 HIS 2 16.834 -1.517 -13.299 13 HD2 HIS 2 HD2 HIS 2 12.912 -2.877 -13.512 14 HE1 HIS 2 HE1 HIS 2 16.897 -3.872 -12.452 15 HE2 HIS 2 HE2 HIS 2 14.538 -4.714 -12.690 16 H MET 3 H MET 3 13.524 2.795 -11.919 17 HA MET 3 HA MET 3 15.369 2.164 -9.768 18 HB2 MET 3 HB2 MET 3 17.002 2.671 -11.505 19 HB3 MET 3 HB3 MET 3 16.137 4.125 -11.988 20 HG2 MET 3 HG2 MET 3 18.173 4.644 -10.722 21 HG3 MET 3 HG3 MET 3 16.730 5.203 -9.876 22 HE1 MET 3 HE1 MET 3 18.938 4.281 -6.824 23 HE2 MET 3 HE2 MET 3 17.880 5.487 -7.556 24 HE3 MET 3 HE3 MET 3 19.428 5.096 -8.309 25 H GLN 4 H GLN 4 13.654 2.682 -8.437 26 HA GLN 4 HA GLN 4 12.391 3.925 -7.046 27 HB2 GLN 4 HB2 GLN 4 14.808 5.727 -7.391 28 HB3 GLN 4 HB3 GLN 4 13.611 5.943 -6.116 29 HG2 GLN 4 HG2 GLN 4 14.161 3.756 -5.170 30 HG3 GLN 4 HG3 GLN 4 15.280 3.431 -6.494 31 HE21 GLN 4 HE21 GLN 4 16.958 3.117 -4.957 32 HE22 GLN 4 HE22 GLN 4 17.726 4.450 -4.175 33 HA PRO 5 HA PRO 5 10.385 6.935 -10.027 34 HB2 PRO 5 HB2 PRO 5 8.361 5.484 -10.974 35 HB3 PRO 5 HB3 PRO 5 10.012 5.098 -11.494 36 HG2 PRO 5 HG2 PRO 5 8.297 3.716 -9.424 37 HG3 PRO 5 HG3 PRO 5 9.337 2.995 -10.671 38 HD2 PRO 5 HD2 PRO 5 10.068 3.434 -7.976 39 HD3 PRO 5 HD3 PRO 5 11.194 3.101 -9.307 40 H GLY 6 H GLY 6 10.167 6.973 -7.160 41 HA2 GLY 6 HA2 GLY 6 8.720 7.723 -5.487 42 HA3 GLY 6 HA3 GLY 6 7.361 7.581 -6.596 43 H LYS 7 H LYS 7 9.019 6.105 -4.004 44 HA LYS 7 HA LYS 7 8.391 3.351 -4.684 45 HB2 LYS 7 HB2 LYS 7 9.635 2.729 -2.666 46 HB3 LYS 7 HB3 LYS 7 10.561 3.805 -3.693 47 HG2 LYS 7 HG2 LYS 7 9.067 4.853 -1.278 48 HG3 LYS 7 HG3 LYS 7 10.660 4.112 -1.117 49 HD2 LYS 7 HD2 LYS 7 11.528 5.810 -2.779 50 HD3 LYS 7 HD3 LYS 7 9.953 6.607 -2.713 51 HE2 LYS 7 HE2 LYS 7 10.264 7.036 -0.309 52 HE3 LYS 7 HE3 LYS 7 11.805 6.180 -0.337 53 HZ1 LYS 7 HZ1 LYS 7 11.184 8.667 -1.827 54 HZ2 LYS 7 HZ2 LYS 7 12.665 7.856 -1.842 55 HZ3 LYS 7 HZ3 LYS 7 12.103 8.567 -0.413 56 H TYR 8 H TYR 8 5.982 4.602 -4.476 57 HA TYR 8 HA TYR 8 4.721 4.175 -1.927 58 HB2 TYR 8 HB2 TYR 8 3.550 4.622 -4.707 59 HB3 TYR 8 HB3 TYR 8 2.577 4.507 -3.243 60 HD1 TYR 8 HD2 TYR 8 5.252 6.546 -4.898 61 HD2 TYR 8 HD1 TYR 8 2.289 6.430 -1.816 62 HE1 TYR 8 HE2 TYR 8 5.587 8.945 -4.482 63 HE2 TYR 8 HE1 TYR 8 2.630 8.828 -1.400 64 HH TYR 8 HH TYR 8 4.416 10.841 -3.514 65 H SER 9 H SER 9 5.155 2.244 -4.891 66 HA SER 9 HA SER 9 3.582 -0.005 -4.204 67 HB2 SER 9 HB2 SER 9 6.195 -0.016 -5.784 68 HB3 SER 9 HB3 SER 9 4.950 -1.264 -5.817 69 HG SER 9 HG SER 9 3.736 0.984 -6.409 70 H GLN 10 H GLN 10 7.015 0.674 -3.616 71 HA GLN 10 HA GLN 10 7.644 -1.661 -2.128 72 HB2 GLN 10 HB2 GLN 10 9.019 1.058 -2.204 73 HB3 GLN 10 HB3 GLN 10 9.712 -0.395 -1.487 74 HG2 GLN 10 HG2 GLN 10 9.689 -1.501 -3.699 75 HG3 GLN 10 HG3 GLN 10 9.001 -0.044 -4.418 76 HE21 GLN 10 HE21 GLN 10 11.884 -1.465 -3.032 77 HE22 GLN 10 HE22 GLN 10 12.983 -0.260 -3.594 78 H LEU 11 H LEU 11 6.408 1.499 -1.203 79 HA LEU 11 HA LEU 11 6.653 1.348 1.601 80 HB2 LEU 11 HB2 LEU 11 6.204 3.441 0.404 81 HB3 LEU 11 HB3 LEU 11 4.652 2.830 -0.140 82 HG LEU 11 HG LEU 11 3.809 2.868 2.201 83 HD11 LEU 11 HD11 LEU 11 6.487 4.099 2.933 84 HD12 LEU 11 HD12 LEU 11 5.895 2.510 3.428 85 HD13 LEU 11 HD13 LEU 11 5.078 3.965 3.992 86 HD21 LEU 11 HD21 LEU 11 4.953 5.524 1.277 87 HD22 LEU 11 HD22 LEU 11 3.624 5.305 2.416 88 HD23 LEU 11 HD23 LEU 11 3.434 4.801 0.739 89 H VAL 12 H VAL 12 4.081 0.189 -0.588 90 HA VAL 12 HA VAL 12 2.230 -0.689 1.397 91 HB VAL 12 HB VAL 12 2.654 -1.755 -1.435 92 HG11 VAL 12 HG11 VAL 12 0.335 -2.642 -1.278 93 HG12 VAL 12 HG12 VAL 12 0.266 -2.156 0.418 94 HG13 VAL 12 HG13 VAL 12 1.405 -3.402 -0.097 95 HG21 VAL 12 HG21 VAL 12 0.662 0.314 -0.418 96 HG22 VAL 12 HG22 VAL 12 0.791 -0.275 -2.078 97 HG23 VAL 12 HG23 VAL 12 2.105 0.659 -1.370 98 H VAL 13 H VAL 13 4.856 -2.375 -0.317 99 HA VAL 13 HA VAL 13 4.690 -4.927 0.826 100 HB VAL 13 HB VAL 13 7.184 -3.432 -0.105 101 HG11 VAL 13 HG11 VAL 13 8.237 -5.664 -0.404 102 HG12 VAL 13 HG12 VAL 13 6.825 -6.423 0.337 103 HG13 VAL 13 HG13 VAL 13 7.847 -5.343 1.287 104 HG21 VAL 13 HG21 VAL 13 6.864 -4.639 -2.252 105 HG22 VAL 13 HG22 VAL 13 5.471 -3.625 -1.879 106 HG23 VAL 13 HG23 VAL 13 5.382 -5.369 -1.625 107 H GLU 14 H GLU 14 6.406 -2.030 2.000 108 HA GLU 14 HA GLU 14 7.514 -3.072 4.386 109 HB2 GLU 14 HB2 GLU 14 6.584 -0.244 3.729 110 HB3 GLU 14 HB3 GLU 14 7.503 -0.666 5.173 111 HG2 GLU 14 HG2 GLU 14 9.383 -1.405 3.761 112 HG3 GLU 14 HG3 GLU 14 8.461 -0.982 2.316 113 H THR 15 H THR 15 4.464 -1.355 3.782 114 HA THR 15 HA THR 15 3.522 -0.992 6.361 115 HB THR 15 HB THR 15 2.058 -1.236 3.714 116 HG1 THR 15 HG1 THR 15 2.874 0.715 3.635 117 HG21 THR 15 HG21 THR 15 0.845 -0.465 6.384 118 HG22 THR 15 HG22 THR 15 0.388 -1.842 5.381 119 HG23 THR 15 HG23 THR 15 0.078 -0.199 4.819 120 H ILE 16 H ILE 16 2.692 -3.667 4.134 121 HA ILE 16 HA ILE 16 0.887 -5.007 5.868 122 HB ILE 16 HB ILE 16 2.482 -6.150 3.529 123 HG12 ILE 16 HG12 ILE 16 -0.335 -4.943 3.544 124 HG13 ILE 16 HG13 ILE 16 1.101 -4.127 2.939 125 HG21 ILE 16 HG21 ILE 16 -0.074 -7.202 4.815 126 HG22 ILE 16 HG22 ILE 16 1.526 -7.937 4.941 127 HG23 ILE 16 HG23 ILE 16 0.711 -7.869 3.381 128 HD11 ILE 16 HD11 ILE 16 1.317 -5.828 1.184 129 HD12 ILE 16 HD12 ILE 16 -0.236 -4.996 1.131 130 HD13 ILE 16 HD13 ILE 16 -0.137 -6.626 1.792 131 H ARG 17 H ARG 17 4.386 -5.327 5.378 132 HA ARG 17 HA ARG 17 4.819 -7.548 7.123 133 HB2 ARG 17 HB2 ARG 17 6.509 -7.114 5.499 134 HB3 ARG 17 HB3 ARG 17 6.644 -5.423 5.967 135 HG2 ARG 17 HG2 ARG 17 7.741 -6.039 8.060 136 HG3 ARG 17 HG3 ARG 17 7.494 -7.752 7.725 137 HD2 ARG 17 HD2 ARG 17 9.124 -7.774 6.006 138 HD3 ARG 17 HD3 ARG 17 9.099 -6.018 5.830 139 HE ARG 17 HE ARG 17 10.609 -5.838 7.526 140 HH11 ARG 17 HH11 ARG 17 9.382 -9.078 7.688 141 HH12 ARG 17 HH12 ARG 17 10.541 -9.553 8.878 142 HH21 ARG 17 HH21 ARG 17 12.050 -6.472 9.043 143 HH22 ARG 17 HH22 ARG 17 12.037 -8.100 9.629 144 H ARG 18 H ARG 18 4.828 -4.015 7.674 145 HA ARG 18 HA ARG 18 5.740 -3.960 10.362 146 HB2 ARG 18 HB2 ARG 18 3.802 -2.048 8.979 147 HB3 ARG 18 HB3 ARG 18 4.623 -1.721 10.503 148 HG2 ARG 18 HG2 ARG 18 6.783 -1.636 9.381 149 HG3 ARG 18 HG3 ARG 18 6.057 -2.148 7.858 150 HD2 ARG 18 HD2 ARG 18 4.649 -0.054 7.903 151 HD3 ARG 18 HD3 ARG 18 5.564 0.471 9.319 152 HE ARG 18 HE ARG 18 7.365 -0.103 7.231 153 HH11 ARG 18 HH11 ARG 18 4.952 2.270 8.020 154 HH12 ARG 18 HH12 ARG 18 5.703 3.495 7.064 155 HH21 ARG 18 HH21 ARG 18 8.295 1.500 6.000 156 HH22 ARG 18 HH22 ARG 18 7.557 3.060 5.929 157 H LEU 19 H LEU 19 2.533 -4.290 8.949 158 HA LEU 19 HA LEU 19 1.022 -4.420 11.381 159 HB2 LEU 19 HB2 LEU 19 0.362 -5.277 8.536 160 HB3 LEU 19 HB3 LEU 19 -0.811 -5.172 9.843 161 HG LEU 19 HG LEU 19 0.785 -2.765 8.874 162 HD11 LEU 19 HD11 LEU 19 -1.210 -2.057 7.631 163 HD12 LEU 19 HD12 LEU 19 -2.000 -3.591 8.010 164 HD13 LEU 19 HD13 LEU 19 -0.551 -3.567 7.001 165 HD21 LEU 19 HD21 LEU 19 -1.719 -2.969 10.589 166 HD22 LEU 19 HD22 LEU 19 -0.947 -1.473 10.063 167 HD23 LEU 19 HD23 LEU 19 -0.098 -2.560 11.157 168 H GLY 20 H GLY 20 2.518 -6.799 9.236 169 HA2 GLY 20 HA2 GLY 20 2.964 -9.037 9.455 170 HA3 GLY 20 HA3 GLY 20 2.517 -8.921 11.148 171 H GLU 21 H GLU 21 0.425 -8.151 8.396 172 HA GLU 21 HA GLU 21 -1.695 -9.810 9.440 173 HB2 GLU 21 HB2 GLU 21 -1.542 -8.108 6.924 174 HB3 GLU 21 HB3 GLU 21 -2.996 -8.943 7.471 175 HG2 GLU 21 HG2 GLU 21 -1.531 -6.767 8.988 176 HG3 GLU 21 HG3 GLU 21 -2.998 -6.550 8.050 177 H ARG 22 H ARG 22 -1.254 -11.951 9.259 178 HA ARG 22 HA ARG 22 -0.159 -13.236 6.928 179 HB2 ARG 22 HB2 ARG 22 -0.593 -15.353 8.163 180 HB3 ARG 22 HB3 ARG 22 0.248 -14.163 9.152 181 HG2 ARG 22 HG2 ARG 22 -1.956 -13.570 10.212 182 HG3 ARG 22 HG3 ARG 22 -2.699 -14.890 9.308 183 HD2 ARG 22 HD2 ARG 22 -0.461 -15.196 11.342 184 HD3 ARG 22 HD3 ARG 22 -2.170 -15.506 11.652 185 HE ARG 22 HE ARG 22 -1.038 -17.041 9.470 186 HH11 ARG 22 HH11 ARG 22 -1.639 -17.028 12.885 187 HH12 ARG 22 HH12 ARG 22 -1.548 -18.749 13.006 188 HH21 ARG 22 HH21 ARG 22 -0.917 -19.231 9.665 189 HH22 ARG 22 HH22 ARG 22 -1.134 -19.982 11.210 190 H ASN 23 H ASN 23 -3.390 -12.430 7.941 191 HA ASN 23 HA ASN 23 -4.644 -14.195 5.938 192 HB2 ASN 23 HB2 ASN 23 -5.549 -14.110 8.297 193 HB3 ASN 23 HB3 ASN 23 -5.994 -12.430 8.020 194 HD21 ASN 23 HD21 ASN 23 -8.169 -13.005 8.459 195 HD22 ASN 23 HD22 ASN 23 -9.136 -13.808 7.280 196 H GLY 24 H GLY 24 -4.180 -10.721 6.675 197 HA2 GLY 24 HA2 GLY 24 -3.678 -9.644 4.348 198 HA3 GLY 24 HA3 GLY 24 -5.383 -9.951 4.075 199 H SER 25 H SER 25 -3.744 -7.404 4.280 200 HA SER 25 HA SER 25 -5.089 -5.987 6.506 201 HB2 SER 25 HB2 SER 25 -3.361 -4.197 6.124 202 HB3 SER 25 HB3 SER 25 -2.663 -5.753 6.553 203 HG SER 25 HG SER 25 -2.892 -5.532 3.878 204 H SER 26 H SER 26 -6.705 -4.578 6.063 205 HA SER 26 HA SER 26 -7.808 -4.281 3.466 206 HB2 SER 26 HB2 SER 26 -9.452 -2.786 4.507 207 HB3 SER 26 HB3 SER 26 -9.155 -4.173 5.554 208 HG SER 26 HG SER 26 -8.549 -2.829 7.047 209 H LEU 27 H LEU 27 -8.150 -2.344 2.182 210 HA LEU 27 HA LEU 27 -5.890 -0.839 1.561 211 HB2 LEU 27 HB2 LEU 27 -7.755 -1.116 -0.002 212 HB3 LEU 27 HB3 LEU 27 -8.815 -0.189 1.045 213 HG LEU 27 HG LEU 27 -7.430 1.861 0.610 214 HD11 LEU 27 HD11 LEU 27 -5.932 0.149 -1.392 215 HD12 LEU 27 HD12 LEU 27 -5.276 0.840 0.093 216 HD13 LEU 27 HD13 LEU 27 -5.794 1.900 -1.215 217 HD21 LEU 27 HD21 LEU 27 -9.448 1.446 -0.727 218 HD22 LEU 27 HD22 LEU 27 -8.488 0.570 -1.921 219 HD23 LEU 27 HD23 LEU 27 -8.215 2.295 -1.656 220 H ALA 28 H ALA 28 -8.571 0.022 3.725 221 HA ALA 28 HA ALA 28 -7.843 2.685 4.354 222 HB1 ALA 28 HB1 ALA 28 -9.346 0.658 6.053 223 HB2 ALA 28 HB2 ALA 28 -10.060 1.748 4.864 224 HB3 ALA 28 HB3 ALA 28 -9.315 2.405 6.322 225 H LYS 29 H LYS 29 -7.016 -0.411 5.956 226 HA LYS 29 HA LYS 29 -5.458 0.669 8.076 227 HB2 LYS 29 HB2 LYS 29 -6.434 -1.582 8.221 228 HB3 LYS 29 HB3 LYS 29 -5.488 -2.119 6.837 229 HG2 LYS 29 HG2 LYS 29 -4.501 -2.998 8.863 230 HG3 LYS 29 HG3 LYS 29 -3.408 -1.821 8.149 231 HD2 LYS 29 HD2 LYS 29 -3.276 -1.216 10.390 232 HD3 LYS 29 HD3 LYS 29 -4.554 -0.132 9.850 233 HE2 LYS 29 HE2 LYS 29 -4.990 -2.793 11.254 234 HE3 LYS 29 HE3 LYS 29 -5.054 -1.213 12.032 235 HZ1 LYS 29 HZ1 LYS 29 -6.872 -2.211 9.910 236 HZ2 LYS 29 HZ2 LYS 29 -6.920 -0.655 10.568 237 HZ3 LYS 29 HZ3 LYS 29 -7.251 -1.994 11.544 238 H ILE 30 H ILE 30 -4.595 -0.493 4.818 239 HA ILE 30 HA ILE 30 -1.782 -0.344 5.052 240 HB ILE 30 HB ILE 30 -3.525 -0.167 2.552 241 HG12 ILE 30 HG12 ILE 30 -1.930 -2.496 3.725 242 HG13 ILE 30 HG13 ILE 30 -3.679 -2.325 3.785 243 HG21 ILE 30 HG21 ILE 30 -0.500 -0.528 2.687 244 HG22 ILE 30 HG22 ILE 30 -1.351 0.879 2.050 245 HG23 ILE 30 HG23 ILE 30 -1.479 -0.671 1.224 246 HD11 ILE 30 HD11 ILE 30 -3.765 -2.528 1.331 247 HD12 ILE 30 HD12 ILE 30 -3.024 -3.929 2.103 248 HD13 ILE 30 HD13 ILE 30 -2.010 -2.731 1.299 249 H TYR 31 H TYR 31 -4.166 2.025 3.830 250 HA TYR 31 HA TYR 31 -2.394 4.106 3.163 251 HB2 TYR 31 HB2 TYR 31 -4.762 4.114 2.441 252 HB3 TYR 31 HB3 TYR 31 -5.292 4.303 4.111 253 HD1 TYR 31 HD2 TYR 31 -3.354 5.988 1.402 254 HD2 TYR 31 HD1 TYR 31 -5.484 6.519 5.066 255 HE1 TYR 31 HE2 TYR 31 -3.152 8.418 1.152 256 HE2 TYR 31 HE1 TYR 31 -5.277 8.963 4.820 257 HH TYR 31 HH TYR 31 -3.694 10.586 3.625 258 H THR 32 H THR 32 -3.991 3.312 6.240 259 HA THR 32 HA THR 32 -3.395 5.585 7.751 260 HB THR 32 HB THR 32 -3.657 2.713 8.767 261 HG1 THR 32 HG1 THR 32 -5.659 3.070 8.152 262 HG21 THR 32 HG21 THR 32 -4.277 3.729 10.947 263 HG22 THR 32 HG22 THR 32 -3.922 5.333 10.303 264 HG23 THR 32 HG23 THR 32 -2.622 4.157 10.497 265 H GLU 33 H GLU 33 -1.429 2.640 7.308 266 HA GLU 33 HA GLU 33 0.738 3.548 9.002 267 HB2 GLU 33 HB2 GLU 33 0.686 1.253 7.010 268 HB3 GLU 33 HB3 GLU 33 1.878 1.496 8.287 269 HG2 GLU 33 HG2 GLU 33 -1.066 0.869 8.646 270 HG3 GLU 33 HG3 GLU 33 0.281 -0.237 8.904 271 H ALA 34 H ALA 34 0.029 3.551 5.569 272 HA ALA 34 HA ALA 34 2.663 4.064 4.603 273 HB1 ALA 34 HB1 ALA 34 0.941 2.989 3.237 274 HB2 ALA 34 HB2 ALA 34 1.549 4.442 2.442 275 HB3 ALA 34 HB3 ALA 34 -0.020 4.469 3.252 276 H LYS 35 H LYS 35 0.054 6.194 5.678 277 HA LYS 35 HA LYS 35 1.171 8.607 4.517 278 HB2 LYS 35 HB2 LYS 35 -0.630 9.801 5.674 279 HB3 LYS 35 HB3 LYS 35 -1.268 8.388 4.841 280 HG2 LYS 35 HG2 LYS 35 -1.347 7.154 6.980 281 HG3 LYS 35 HG3 LYS 35 -0.687 8.562 7.819 282 HD2 LYS 35 HD2 LYS 35 -2.701 9.872 7.164 283 HD3 LYS 35 HD3 LYS 35 -3.360 8.446 6.360 284 HE2 LYS 35 HE2 LYS 35 -3.429 7.265 8.536 285 HE3 LYS 35 HE3 LYS 35 -2.762 8.691 9.332 286 HZ1 LYS 35 HZ1 LYS 35 -5.132 8.614 9.603 287 HZ2 LYS 35 HZ2 LYS 35 -5.374 8.518 7.934 288 HZ3 LYS 35 HZ3 LYS 35 -4.730 9.926 8.615 289 H LYS 36 H LYS 36 2.216 6.808 7.106 290 HA LYS 36 HA LYS 36 2.783 8.903 9.030 291 HB2 LYS 36 HB2 LYS 36 3.660 5.990 8.933 292 HB3 LYS 36 HB3 LYS 36 3.916 7.071 10.304 293 HG2 LYS 36 HG2 LYS 36 1.460 7.319 10.556 294 HG3 LYS 36 HG3 LYS 36 1.217 6.221 9.193 295 HD2 LYS 36 HD2 LYS 36 2.287 4.392 10.454 296 HD3 LYS 36 HD3 LYS 36 2.599 5.482 11.810 297 HE2 LYS 36 HE2 LYS 36 0.168 5.761 12.147 298 HE3 LYS 36 HE3 LYS 36 -0.154 4.706 10.768 299 HZ1 LYS 36 HZ1 LYS 36 -0.374 3.500 12.811 300 HZ2 LYS 36 HZ2 LYS 36 1.187 3.928 13.295 301 HZ3 LYS 36 HZ3 LYS 36 0.965 2.914 11.962 302 H VAL 37 H VAL 37 4.285 8.260 6.146 303 HA VAL 37 HA VAL 37 7.003 8.946 7.091 304 HB VAL 37 HB VAL 37 7.405 8.722 4.389 305 HG11 VAL 37 HG11 VAL 37 8.686 7.557 6.081 306 HG12 VAL 37 HG12 VAL 37 8.235 6.459 4.778 307 HG13 VAL 37 HG13 VAL 37 7.376 6.395 6.322 308 HG21 VAL 37 HG21 VAL 37 5.067 8.128 3.879 309 HG22 VAL 37 HG22 VAL 37 5.179 6.727 4.937 310 HG23 VAL 37 HG23 VAL 37 6.165 6.809 3.474 311 HA PRO 38 HA PRO 38 6.499 13.235 5.936 312 HB2 PRO 38 HB2 PRO 38 9.101 14.041 5.745 313 HB3 PRO 38 HB3 PRO 38 8.353 13.628 7.295 314 HG2 PRO 38 HG2 PRO 38 10.114 11.924 5.529 315 HG3 PRO 38 HG3 PRO 38 10.208 12.172 7.286 316 HD2 PRO 38 HD2 PRO 38 9.024 9.975 6.185 317 HD3 PRO 38 HD3 PRO 38 8.462 10.683 7.716 318 H TRP 39 H TRP 39 8.331 11.052 3.805 319 HA TRP 39 HA TRP 39 8.409 12.923 1.576 320 HB2 TRP 39 HB2 TRP 39 9.279 11.041 0.229 321 HB3 TRP 39 HB3 TRP 39 10.180 11.240 1.721 322 HD1 TRP 39 HD1 TRP 39 10.185 9.200 3.430 323 HE1 TRP 39 HE1 TRP 39 9.445 6.749 3.235 324 HE3 TRP 39 HE3 TRP 39 7.393 9.500 -0.865 325 HZ2 TRP 39 HZ2 TRP 39 7.876 5.149 1.528 326 HZ3 TRP 39 HZ3 TRP 39 6.306 7.456 -1.707 327 HH2 TRP 39 HH2 TRP 39 6.545 5.329 -0.531 328 H PHE 40 H PHE 40 6.107 10.650 2.825 329 HA PHE 40 HA PHE 40 4.606 9.983 0.557 330 HB2 PHE 40 HB2 PHE 40 4.316 9.003 2.848 331 HB3 PHE 40 HB3 PHE 40 3.512 10.480 3.359 332 HD1 PHE 40 HD2 PHE 40 3.263 7.552 1.090 333 HD2 PHE 40 HD1 PHE 40 1.165 10.832 2.850 334 HE1 PHE 40 HE2 PHE 40 1.132 6.638 0.278 335 HE2 PHE 40 HE1 PHE 40 -0.963 9.906 2.038 336 HZ PHE 40 HZ PHE 40 -0.983 7.809 0.750 337 H ASP 41 H ASP 41 3.404 11.147 -0.809 338 HA ASP 41 HA ASP 41 2.526 13.863 -0.306 339 HB2 ASP 41 HB2 ASP 41 3.200 13.267 -2.570 340 HB3 ASP 41 HB3 ASP 41 2.050 11.933 -2.619 341 H GLN 42 H GLN 42 0.792 14.257 0.972 342 HA GLN 42 HA GLN 42 -1.124 12.244 1.717 343 HB2 GLN 42 HB2 GLN 42 -1.132 15.239 2.271 344 HB3 GLN 42 HB3 GLN 42 -2.140 14.048 3.088 345 HG2 GLN 42 HG2 GLN 42 0.893 14.139 3.201 346 HG3 GLN 42 HG3 GLN 42 -0.183 14.787 4.437 347 HE21 GLN 42 HE21 GLN 42 1.865 12.695 4.638 348 HE22 GLN 42 HE22 GLN 42 1.059 11.297 5.242 349 H GLN 43 H GLN 43 -0.997 14.494 -0.881 350 HA GLN 43 HA GLN 43 -3.863 14.905 -1.188 351 HB2 GLN 43 HB2 GLN 43 -1.500 15.719 -2.926 352 HB3 GLN 43 HB3 GLN 43 -3.169 16.214 -3.216 353 HG2 GLN 43 HG2 GLN 43 -3.234 17.504 -1.208 354 HG3 GLN 43 HG3 GLN 43 -1.714 16.832 -0.628 355 HE21 GLN 43 HE21 GLN 43 0.233 17.572 -1.564 356 HE22 GLN 43 HE22 GLN 43 0.308 19.047 -2.453 357 H ASN 44 H ASN 44 -1.460 13.744 -3.601 358 HA ASN 44 HA ASN 44 -3.552 12.091 -4.880 359 HB2 ASN 44 HB2 ASN 44 -0.808 12.812 -5.991 360 HB3 ASN 44 HB3 ASN 44 -2.184 12.163 -6.885 361 HD21 ASN 44 HD21 ASN 44 -4.069 13.563 -7.125 362 HD22 ASN 44 HD22 ASN 44 -3.857 15.274 -7.103 363 H GLY 45 H GLY 45 -0.993 11.690 -2.725 364 HA2 GLY 45 HA2 GLY 45 0.222 9.271 -3.464 365 HA3 GLY 45 HA3 GLY 45 0.053 9.865 -1.825 366 H ARG 46 H ARG 46 -2.955 9.806 -2.036 367 HA ARG 46 HA ARG 46 -3.546 7.154 -1.229 368 HB2 ARG 46 HB2 ARG 46 -4.965 9.026 -0.539 369 HB3 ARG 46 HB3 ARG 46 -5.389 9.373 -2.208 370 HG2 ARG 46 HG2 ARG 46 -7.244 8.254 -1.083 371 HG3 ARG 46 HG3 ARG 46 -6.600 7.221 -2.358 372 HD2 ARG 46 HD2 ARG 46 -5.368 5.900 -0.691 373 HD3 ARG 46 HD3 ARG 46 -5.955 6.957 0.598 374 HE ARG 46 HE ARG 46 -7.675 5.181 -1.033 375 HH11 ARG 46 HH11 ARG 46 -7.057 6.787 1.972 376 HH12 ARG 46 HH12 ARG 46 -8.315 5.940 2.800 377 HH21 ARG 46 HH21 ARG 46 -9.280 4.117 0.058 378 HH22 ARG 46 HH22 ARG 46 -9.553 4.462 1.728 379 H THR 47 H THR 47 -4.101 8.839 -4.351 380 HA THR 47 HA THR 47 -5.132 6.609 -5.795 381 HB THR 47 HB THR 47 -3.721 9.111 -6.825 382 HG1 THR 47 HG1 THR 47 -5.936 9.065 -5.682 383 HG21 THR 47 HG21 THR 47 -5.335 7.077 -8.423 384 HG22 THR 47 HG22 THR 47 -3.599 7.361 -8.567 385 HG23 THR 47 HG23 THR 47 -4.740 8.622 -9.033 386 H TYR 48 H TYR 48 -1.816 7.812 -5.287 387 HA TYR 48 HA TYR 48 -0.459 6.065 -7.040 388 HB2 TYR 48 HB2 TYR 48 0.550 7.359 -4.476 389 HB3 TYR 48 HB3 TYR 48 1.582 6.542 -5.647 390 HD1 TYR 48 HD1 TYR 48 -0.124 7.739 -8.093 391 HD2 TYR 48 HD2 TYR 48 1.849 9.446 -4.702 392 HE1 TYR 48 HE1 TYR 48 0.167 9.841 -9.317 393 HE2 TYR 48 HE2 TYR 48 2.130 11.554 -5.927 394 HH TYR 48 HH TYR 48 0.505 12.231 -8.829 395 H LEU 49 H LEU 49 -1.198 5.665 -3.534 396 HA LEU 49 HA LEU 49 -0.157 3.054 -3.212 397 HB2 LEU 49 HB2 LEU 49 -2.463 4.407 -1.778 398 HB3 LEU 49 HB3 LEU 49 -1.786 2.859 -1.288 399 HG LEU 49 HG LEU 49 -0.340 5.535 -1.256 400 HD11 LEU 49 HD11 LEU 49 -2.040 5.336 0.487 401 HD12 LEU 49 HD12 LEU 49 -0.422 5.304 1.179 402 HD13 LEU 49 HD13 LEU 49 -1.342 3.805 1.024 403 HD21 LEU 49 HD21 LEU 49 0.684 2.802 -0.387 404 HD22 LEU 49 HD22 LEU 49 1.516 4.342 -0.148 405 HD23 LEU 49 HD23 LEU 49 1.248 3.733 -1.778 406 H LYS 50 H LYS 50 -3.460 4.149 -3.978 407 HA LYS 50 HA LYS 50 -4.890 1.799 -4.098 408 HB2 LYS 50 HB2 LYS 50 -5.939 3.978 -4.292 409 HB3 LYS 50 HB3 LYS 50 -5.092 4.312 -5.797 410 HG2 LYS 50 HG2 LYS 50 -6.407 2.469 -6.885 411 HG3 LYS 50 HG3 LYS 50 -7.317 2.286 -5.378 412 HD2 LYS 50 HD2 LYS 50 -8.109 4.615 -5.554 413 HD3 LYS 50 HD3 LYS 50 -7.155 4.847 -7.022 414 HE2 LYS 50 HE2 LYS 50 -8.525 3.145 -8.172 415 HE3 LYS 50 HE3 LYS 50 -9.479 2.920 -6.704 416 HZ1 LYS 50 HZ1 LYS 50 -10.568 4.389 -8.283 417 HZ2 LYS 50 HZ2 LYS 50 -9.251 5.450 -8.237 418 HZ3 LYS 50 HZ3 LYS 50 -10.192 5.211 -6.855 419 H TYR 51 H TYR 51 -3.084 3.309 -6.774 420 HA TYR 51 HA TYR 51 -3.541 1.117 -8.584 421 HB2 TYR 51 HB2 TYR 51 -2.296 3.817 -8.776 422 HB3 TYR 51 HB3 TYR 51 -1.590 2.612 -9.845 423 HD1 TYR 51 HD1 TYR 51 -3.298 1.135 -11.173 424 HD2 TYR 51 HD2 TYR 51 -4.244 4.979 -9.557 425 HE1 TYR 51 HE1 TYR 51 -5.152 1.321 -12.747 426 HE2 TYR 51 HE2 TYR 51 -6.120 5.174 -11.141 427 HH TYR 51 HH TYR 51 -6.767 4.196 -13.394 428 H SER 52 H SER 52 -0.896 2.054 -6.438 429 HA SER 52 HA SER 52 1.124 0.360 -7.487 430 HB2 SER 52 HB2 SER 52 0.682 1.455 -4.689 431 HB3 SER 52 HB3 SER 52 2.053 0.418 -5.076 432 HG SER 52 HG SER 52 1.454 2.816 -6.462 433 H ILE 53 H ILE 53 -1.197 -0.178 -4.867 434 HA ILE 53 HA ILE 53 -0.569 -2.797 -4.160 435 HB ILE 53 HB ILE 53 -3.264 -1.372 -4.021 436 HG12 ILE 53 HG12 ILE 53 -1.113 -1.700 -1.879 437 HG13 ILE 53 HG13 ILE 53 -1.428 -0.221 -2.774 438 HG21 ILE 53 HG21 ILE 53 -3.882 -3.009 -2.283 439 HG22 ILE 53 HG22 ILE 53 -2.367 -3.872 -2.550 440 HG23 ILE 53 HG23 ILE 53 -3.578 -3.797 -3.830 441 HD11 ILE 53 HD11 ILE 53 -3.664 -0.107 -1.755 442 HD12 ILE 53 HD12 ILE 53 -2.364 -0.092 -0.567 443 HD13 ILE 53 HD13 ILE 53 -3.298 -1.564 -0.825 444 H LYS 54 H LYS 54 -3.128 -1.631 -6.396 445 HA LYS 54 HA LYS 54 -4.143 -4.207 -7.027 446 HB2 LYS 54 HB2 LYS 54 -5.437 -2.081 -7.223 447 HB3 LYS 54 HB3 LYS 54 -4.443 -1.616 -8.602 448 HG2 LYS 54 HG2 LYS 54 -5.274 -3.554 -9.868 449 HG3 LYS 54 HG3 LYS 54 -6.236 -4.067 -8.479 450 HD2 LYS 54 HD2 LYS 54 -7.561 -1.966 -8.644 451 HD3 LYS 54 HD3 LYS 54 -6.610 -1.486 -10.057 452 HE2 LYS 54 HE2 LYS 54 -8.788 -2.483 -10.700 453 HE3 LYS 54 HE3 LYS 54 -7.431 -3.439 -11.299 454 HZ1 LYS 54 HZ1 LYS 54 -9.037 -4.045 -8.873 455 HZ2 LYS 54 HZ2 LYS 54 -7.746 -4.970 -9.451 456 HZ3 LYS 54 HZ3 LYS 54 -9.164 -4.833 -10.361 457 H ALA 55 H ALA 55 -1.756 -2.120 -8.623 458 HA ALA 55 HA ALA 55 -1.267 -3.767 -10.893 459 HB1 ALA 55 HB1 ALA 55 -0.615 -1.400 -10.837 460 HB2 ALA 55 HB2 ALA 55 0.775 -2.434 -11.199 461 HB3 ALA 55 HB3 ALA 55 0.580 -1.750 -9.581 462 H LEU 56 H LEU 56 0.140 -3.745 -7.601 463 HA LEU 56 HA LEU 56 2.116 -5.762 -8.113 464 HB2 LEU 56 HB2 LEU 56 0.882 -4.789 -5.521 465 HB3 LEU 56 HB3 LEU 56 2.137 -6.015 -5.573 466 HG LEU 56 HG LEU 56 2.435 -3.130 -6.496 467 HD11 LEU 56 HD11 LEU 56 3.942 -2.863 -4.573 468 HD12 LEU 56 HD12 LEU 56 3.591 -4.515 -4.057 469 HD13 LEU 56 HD13 LEU 56 2.311 -3.300 -4.064 470 HD21 LEU 56 HD21 LEU 56 3.818 -4.610 -7.877 471 HD22 LEU 56 HD22 LEU 56 4.528 -5.332 -6.431 472 HD23 LEU 56 HD23 LEU 56 4.823 -3.633 -6.811 473 H VAL 57 H VAL 57 -1.314 -5.905 -7.246 474 HA VAL 57 HA VAL 57 -1.423 -8.727 -6.713 475 HB VAL 57 HB VAL 57 -3.627 -6.836 -7.674 476 HG11 VAL 57 HG11 VAL 57 -3.906 -9.648 -6.540 477 HG12 VAL 57 HG12 VAL 57 -4.242 -9.161 -8.202 478 HG13 VAL 57 HG13 VAL 57 -5.245 -8.550 -6.886 479 HG21 VAL 57 HG21 VAL 57 -3.002 -7.828 -4.861 480 HG22 VAL 57 HG22 VAL 57 -4.360 -6.791 -5.307 481 HG23 VAL 57 HG23 VAL 57 -2.708 -6.197 -5.470 482 H GLN 58 H GLN 58 -1.716 -6.724 -9.625 483 HA GLN 58 HA GLN 58 -2.230 -8.730 -11.556 484 HB2 GLN 58 HB2 GLN 58 -2.461 -6.205 -11.802 485 HB3 GLN 58 HB3 GLN 58 -0.717 -6.100 -11.924 486 HG2 GLN 58 HG2 GLN 58 -2.431 -7.648 -13.878 487 HG3 GLN 58 HG3 GLN 58 -2.036 -5.949 -14.085 488 HE21 GLN 58 HE21 GLN 58 0.224 -5.399 -14.389 489 HE22 GLN 58 HE22 GLN 58 1.297 -6.540 -15.110 490 H ASN 59 H ASN 59 0.861 -7.346 -10.326 491 HA ASN 59 HA ASN 59 2.525 -9.106 -11.940 492 HB2 ASN 59 HB2 ASN 59 3.266 -7.105 -9.767 493 HB3 ASN 59 HB3 ASN 59 4.446 -8.042 -10.678 494 HD21 ASN 59 HD21 ASN 59 2.591 -5.201 -10.643 495 HD22 ASN 59 HD22 ASN 59 2.915 -4.676 -12.249 496 H ASP 60 H ASP 60 0.691 -9.846 -9.401 497 HA ASP 60 HA ASP 60 0.514 -11.587 -7.992 498 HB2 ASP 60 HB2 ASP 60 2.942 -12.728 -9.437 499 HB3 ASP 60 HB3 ASP 60 1.777 -13.647 -8.481 500 H THR 61 H THR 61 2.426 -9.322 -7.398 501 HA THR 61 HA THR 61 4.250 -10.356 -5.401 502 HB THR 61 HB THR 61 3.442 -7.475 -6.005 503 HG1 THR 61 HG1 THR 61 5.801 -7.779 -6.922 504 HG21 THR 61 HG21 THR 61 4.473 -7.688 -3.751 505 HG22 THR 61 HG22 THR 61 5.537 -6.827 -4.864 506 HG23 THR 61 HG23 THR 61 5.862 -8.516 -4.467 507 H LEU 62 H LEU 62 0.958 -9.099 -5.476 508 HA LEU 62 HA LEU 62 0.729 -9.516 -2.546 509 HB2 LEU 62 HB2 LEU 62 -0.765 -7.452 -4.212 510 HB3 LEU 62 HB3 LEU 62 -1.070 -7.786 -2.513 511 HG LEU 62 HG LEU 62 1.452 -6.546 -3.690 512 HD11 LEU 62 HD11 LEU 62 0.797 -4.542 -2.452 513 HD12 LEU 62 HD12 LEU 62 -0.662 -5.349 -1.871 514 HD13 LEU 62 HD13 LEU 62 -0.460 -5.016 -3.593 515 HD21 LEU 62 HD21 LEU 62 0.881 -7.213 -0.778 516 HD22 LEU 62 HD22 LEU 62 2.258 -6.281 -1.374 517 HD23 LEU 62 HD23 LEU 62 2.091 -7.978 -1.810 518 H LEU 63 H LEU 63 -1.195 -10.374 -1.764 519 HA LEU 63 HA LEU 63 -2.960 -11.857 -3.617 520 HB2 LEU 63 HB2 LEU 63 -2.185 -12.319 -0.711 521 HB3 LEU 63 HB3 LEU 63 -3.533 -13.161 -1.458 522 HG LEU 63 HG LEU 63 -0.651 -13.355 -2.415 523 HD11 LEU 63 HD11 LEU 63 -2.223 -15.350 -0.755 524 HD12 LEU 63 HD12 LEU 63 -0.866 -14.369 -0.196 525 HD13 LEU 63 HD13 LEU 63 -0.608 -15.599 -1.429 526 HD21 LEU 63 HD21 LEU 63 -3.114 -14.939 -3.239 527 HD22 LEU 63 HD22 LEU 63 -1.462 -15.247 -3.783 528 HD23 LEU 63 HD23 LEU 63 -2.262 -13.741 -4.221 529 H GLN 64 H GLN 64 -5.008 -11.073 -3.829 530 HA GLN 64 HA GLN 64 -6.055 -9.096 -1.932 531 HB2 GLN 64 HB2 GLN 64 -7.936 -8.829 -3.518 532 HB3 GLN 64 HB3 GLN 64 -6.370 -8.562 -4.277 533 HG2 GLN 64 HG2 GLN 64 -6.478 -10.716 -5.383 534 HG3 GLN 64 HG3 GLN 64 -7.959 -11.139 -4.523 535 HE21 GLN 64 HE21 GLN 64 -9.902 -10.082 -5.093 536 HE22 GLN 64 HE22 GLN 64 -10.080 -9.270 -6.607 537 H VAL 65 H VAL 65 -7.404 -9.571 -0.354 538 HA VAL 65 HA VAL 65 -8.835 -12.152 -0.203 539 HB VAL 65 HB VAL 65 -7.605 -10.787 2.235 540 HG11 VAL 65 HG11 VAL 65 -7.795 -13.029 3.267 541 HG12 VAL 65 HG12 VAL 65 -8.483 -13.662 1.770 542 HG13 VAL 65 HG13 VAL 65 -9.363 -12.447 2.697 543 HG21 VAL 65 HG21 VAL 65 -5.728 -11.243 0.717 544 HG22 VAL 65 HG22 VAL 65 -6.243 -12.922 0.547 545 HG23 VAL 65 HG23 VAL 65 -5.670 -12.329 2.107 546 H LYS 66 H LYS 66 -10.984 -11.964 0.360 547 HA LYS 66 HA LYS 66 -12.045 -9.339 1.240 548 HB2 LYS 66 HB2 LYS 66 -14.230 -10.119 0.480 549 HB3 LYS 66 HB3 LYS 66 -13.050 -10.314 -0.808 550 HG2 LYS 66 HG2 LYS 66 -12.934 -12.727 -0.387 551 HG3 LYS 66 HG3 LYS 66 -14.019 -12.561 0.995 552 HD2 LYS 66 HD2 LYS 66 -15.257 -13.407 -0.943 553 HD3 LYS 66 HD3 LYS 66 -15.833 -11.795 -0.514 554 HE2 LYS 66 HE2 LYS 66 -14.471 -10.832 -2.359 555 HE3 LYS 66 HE3 LYS 66 -13.912 -12.450 -2.787 556 HZ1 LYS 66 HZ1 LYS 66 -16.737 -11.543 -2.854 557 HZ2 LYS 66 HZ2 LYS 66 -16.164 -13.060 -3.337 558 HZ3 LYS 66 HZ3 LYS 66 -15.720 -11.673 -4.196 559 H GLY 67 H GLY 67 -13.881 -9.407 2.855 560 HA2 GLY 67 HA2 GLY 67 -15.009 -10.220 4.725 561 HA3 GLY 67 HA3 GLY 67 -14.098 -11.713 4.632 562 H THR 68 H THR 68 -11.485 -10.819 4.846 563 HA THR 68 HA THR 68 -11.224 -10.147 7.647 564 HB THR 68 HB THR 68 -9.689 -11.776 6.613 565 HG1 THR 68 HG1 THR 68 -7.729 -10.000 7.196 566 HG21 THR 68 HG21 THR 68 -9.471 -10.798 4.364 567 HG22 THR 68 HG22 THR 68 -7.889 -11.074 5.094 568 HG23 THR 68 HG23 THR 68 -8.554 -9.444 5.039 569 H GLY 69 H GLY 69 -9.582 -8.479 8.366 570 HA2 GLY 69 HA2 GLY 69 -8.705 -6.358 8.485 571 HA3 GLY 69 HA3 GLY 69 -8.902 -6.222 6.746 572 H ALA 70 H ALA 70 -10.872 -5.431 5.913 573 HA ALA 70 HA ALA 70 -13.086 -4.560 7.472 574 HB1 ALA 70 HB1 ALA 70 -11.212 -2.333 6.560 575 HB2 ALA 70 HB2 ALA 70 -11.507 -2.809 8.232 576 HB3 ALA 70 HB3 ALA 70 -12.812 -2.107 7.276 577 H ASN 71 H ASN 71 -11.495 -2.990 4.670 578 HA ASN 71 HA ASN 71 -13.624 -3.970 2.856 579 HB2 ASN 71 HB2 ASN 71 -12.670 -1.064 2.940 580 HB3 ASN 71 HB3 ASN 71 -13.913 -1.732 1.881 581 HD21 ASN 71 HD21 ASN 71 -15.935 -2.377 2.857 582 HD22 ASN 71 HD22 ASN 71 -16.430 -1.697 4.359 583 H GLY 72 H GLY 72 -12.431 -5.251 1.534 584 HA2 GLY 72 HA2 GLY 72 -10.962 -5.910 -0.104 585 HA3 GLY 72 HA3 GLY 72 -10.645 -4.211 -0.404 586 H SER 73 H SER 73 -9.518 -7.112 1.213 587 HA SER 73 HA SER 73 -7.257 -5.681 2.457 588 HB2 SER 73 HB2 SER 73 -8.311 -8.494 2.914 589 HB3 SER 73 HB3 SER 73 -6.874 -7.826 3.698 590 HG SER 73 HG SER 73 -9.525 -7.370 4.198 591 H PHE 74 H PHE 74 -5.124 -6.493 2.249 592 HA PHE 74 HA PHE 74 -4.441 -8.147 -0.068 593 HB2 PHE 74 HB2 PHE 74 -3.385 -5.293 0.291 594 HB3 PHE 74 HB3 PHE 74 -2.934 -6.408 -0.993 595 HD1 PHE 74 HD1 PHE 74 -4.656 -7.051 -2.744 596 HD2 PHE 74 HD2 PHE 74 -5.379 -3.929 0.100 597 HE1 PHE 74 HE1 PHE 74 -6.488 -6.190 -4.142 598 HE2 PHE 74 HE2 PHE 74 -7.208 -3.077 -1.309 599 HZ PHE 74 HZ PHE 74 -7.766 -4.208 -3.429 600 H LYS 75 H LYS 75 -2.369 -9.103 0.131 601 HA LYS 75 HA LYS 75 -0.650 -8.408 2.406 602 HB2 LYS 75 HB2 LYS 75 -0.591 -10.736 3.282 603 HB3 LYS 75 HB3 LYS 75 -2.178 -9.991 3.441 604 HG2 LYS 75 HG2 LYS 75 -3.012 -11.255 1.522 605 HG3 LYS 75 HG3 LYS 75 -1.413 -11.950 1.258 606 HD2 LYS 75 HD2 LYS 75 -1.527 -13.066 3.462 607 HD3 LYS 75 HD3 LYS 75 -3.120 -12.356 3.737 608 HE2 LYS 75 HE2 LYS 75 -3.982 -13.604 1.766 609 HE3 LYS 75 HE3 LYS 75 -2.393 -14.349 1.569 610 HZ1 LYS 75 HZ1 LYS 75 -4.169 -14.614 3.925 611 HZ2 LYS 75 HZ2 LYS 75 -2.626 -15.293 3.784 612 HZ3 LYS 75 HZ3 LYS 75 -3.871 -15.801 2.758 613 H LEU 76 H LEU 76 1.362 -9.886 2.456 614 HA LEU 76 HA LEU 76 2.678 -9.614 -0.071 615 HB2 LEU 76 HB2 LEU 76 3.663 -10.952 2.480 616 HB3 LEU 76 HB3 LEU 76 4.672 -10.496 1.111 617 HG LEU 76 HG LEU 76 3.157 -8.561 2.914 618 HD11 LEU 76 HD11 LEU 76 6.132 -9.105 2.745 619 HD12 LEU 76 HD12 LEU 76 5.056 -9.562 4.068 620 HD13 LEU 76 HD13 LEU 76 5.356 -7.858 3.729 621 HD21 LEU 76 HD21 LEU 76 3.301 -7.678 0.625 622 HD22 LEU 76 HD22 LEU 76 5.048 -7.939 0.613 623 HD23 LEU 76 HD23 LEU 76 4.334 -6.761 1.718 624 H ASN 77 H ASN 77 2.584 -11.021 -1.715 625 HA ASN 77 HA ASN 77 1.479 -13.671 -1.465 626 HB2 ASN 77 HB2 ASN 77 1.042 -12.093 -3.396 627 HB3 ASN 77 HB3 ASN 77 2.704 -12.321 -3.913 628 HD21 ASN 77 HD21 ASN 77 0.278 -12.861 -5.378 629 HD22 ASN 77 HD22 ASN 77 0.299 -14.538 -5.777 630 H ARG 78 H ARG 78 3.037 -14.731 -0.127 631 HA ARG 78 HA ARG 78 5.745 -15.193 -1.131 632 HB2 ARG 78 HB2 ARG 78 4.324 -16.214 1.360 633 HB3 ARG 78 HB3 ARG 78 6.014 -16.541 0.971 634 HG2 ARG 78 HG2 ARG 78 6.471 -14.092 1.011 635 HG3 ARG 78 HG3 ARG 78 4.791 -13.806 1.474 636 HD2 ARG 78 HD2 ARG 78 5.158 -15.126 3.543 637 HD3 ARG 78 HD3 ARG 78 6.849 -15.359 3.084 638 HE ARG 78 HE ARG 78 6.936 -12.808 3.124 639 HH11 ARG 78 HH11 ARG 78 4.895 -14.610 5.268 640 HH12 ARG 78 HH12 ARG 78 4.937 -13.386 6.482 641 HH21 ARG 78 HH21 ARG 78 6.950 -11.272 4.686 642 HH22 ARG 78 HH22 ARG 78 6.065 -11.517 6.149 643 H LYS 79 H LYS 79 2.883 -16.442 -2.048 644 HA LYS 79 HA LYS 79 4.006 -19.098 -2.750 645 HB2 LYS 79 HB2 LYS 79 1.687 -19.724 -3.359 646 HB3 LYS 79 HB3 LYS 79 1.803 -19.208 -1.681 647 HG2 LYS 79 HG2 LYS 79 0.891 -16.999 -2.306 648 HG3 LYS 79 HG3 LYS 79 0.740 -17.529 -3.978 649 HD2 LYS 79 HD2 LYS 79 -0.638 -19.062 -1.750 650 HD3 LYS 79 HD3 LYS 79 -1.370 -17.601 -2.409 651 HE2 LYS 79 HE2 LYS 79 -2.292 -19.613 -3.478 652 HE3 LYS 79 HE3 LYS 79 -1.431 -18.621 -4.649 653 HZ1 LYS 79 HZ1 LYS 79 0.404 -20.130 -4.589 654 HZ2 LYS 79 HZ2 LYS 79 -1.005 -21.016 -4.866 655 HZ3 LYS 79 HZ3 LYS 79 -0.295 -21.028 -3.335 656 H LYS 80 H LYS 80 4.267 -16.156 -3.959 657 HA LYS 80 HA LYS 80 3.652 -16.110 -6.664 658 HB2 LYS 80 HB2 LYS 80 4.706 -14.229 -5.501 659 HB3 LYS 80 HB3 LYS 80 6.172 -15.176 -5.260 660 HG2 LYS 80 HG2 LYS 80 6.409 -15.273 -7.791 661 HG3 LYS 80 HG3 LYS 80 5.090 -14.102 -7.885 662 HD2 LYS 80 HD2 LYS 80 7.619 -13.604 -6.292 663 HD3 LYS 80 HD3 LYS 80 7.483 -13.189 -7.997 664 HE2 LYS 80 HE2 LYS 80 5.611 -12.116 -5.862 665 HE3 LYS 80 HE3 LYS 80 7.066 -11.277 -6.405 666 HZ1 LYS 80 HZ1 LYS 80 5.162 -10.448 -7.584 667 HZ2 LYS 80 HZ2 LYS 80 4.729 -12.004 -8.083 668 HZ3 LYS 80 HZ3 LYS 80 6.145 -11.297 -8.667 669 H LEU 81 H LEU 81 6.049 -17.969 -4.991 670 HA LEU 81 HA LEU 81 7.808 -18.857 -6.940 671 HB2 LEU 81 HB2 LEU 81 7.803 -19.113 -4.385 672 HB3 LEU 81 HB3 LEU 81 6.777 -20.514 -4.609 673 HG LEU 81 HG LEU 81 9.566 -20.329 -5.823 674 HD11 LEU 81 HD11 LEU 81 8.823 -21.475 -3.107 675 HD12 LEU 81 HD12 LEU 81 9.787 -20.026 -3.402 676 HD13 LEU 81 HD13 LEU 81 10.405 -21.602 -3.888 677 HD21 LEU 81 HD21 LEU 81 9.457 -22.800 -5.855 678 HD22 LEU 81 HD22 LEU 81 8.157 -22.089 -6.806 679 HD23 LEU 81 HD23 LEU 81 7.816 -22.743 -5.203 680 H GLU 82 H GLU 82 4.752 -20.430 -5.903 681 HA GLU 82 HA GLU 82 4.795 -22.314 -8.163 682 HB2 GLU 82 HB2 GLU 82 2.775 -23.303 -7.073 683 HB3 GLU 82 HB3 GLU 82 4.163 -23.233 -5.993 684 HG2 GLU 82 HG2 GLU 82 3.219 -21.234 -4.894 685 HG3 GLU 82 HG3 GLU 82 1.834 -21.281 -5.982 686 H GLY 83 H GLY 83 3.216 -19.353 -7.220 687 HA2 GLY 83 HA2 GLY 83 2.148 -18.078 -9.105 688 HA3 GLY 83 HA3 GLY 83 1.233 -19.542 -9.432 Start of MODEL 6 1 H1 SER 1 H1 SER 1 12.224 -10.036 -16.622 2 H2 SER 1 H2 SER 1 11.040 -9.212 -17.504 3 H3 SER 1 H3 SER 1 10.584 -10.339 -16.330 4 HA SER 1 HA SER 1 10.273 -8.075 -15.550 5 HB2 SER 1 HB2 SER 1 10.734 -9.762 -13.851 6 HB3 SER 1 HB3 SER 1 12.470 -9.646 -14.130 7 HG SER 1 HG SER 1 11.139 -8.337 -12.349 8 H HIS 2 H HIS 2 11.226 -6.099 -14.788 9 HA HIS 2 HA HIS 2 13.924 -5.369 -15.729 10 HB2 HIS 2 HB2 HIS 2 13.067 -3.250 -16.702 11 HB3 HIS 2 HB3 HIS 2 12.356 -4.640 -17.509 12 HD1 HIS 2 HD1 HIS 2 11.484 -1.856 -15.124 13 HD2 HIS 2 HD2 HIS 2 9.558 -4.801 -17.331 14 HE1 HIS 2 HE1 HIS 2 9.043 -1.321 -14.971 15 HE2 HIS 2 HE2 HIS 2 7.898 -3.225 -16.131 16 H MET 3 H MET 3 12.788 -6.026 -13.130 17 HA MET 3 HA MET 3 12.832 -5.458 -10.955 18 HB2 MET 3 HB2 MET 3 14.083 -2.813 -11.801 19 HB3 MET 3 HB3 MET 3 13.978 -3.394 -10.146 20 HG2 MET 3 HG2 MET 3 15.424 -5.326 -10.789 21 HG3 MET 3 HG3 MET 3 15.607 -4.609 -12.391 22 HE1 MET 3 HE1 MET 3 17.408 -1.175 -11.388 23 HE2 MET 3 HE2 MET 3 15.662 -1.411 -11.416 24 HE3 MET 3 HE3 MET 3 16.664 -2.070 -12.710 25 H GLN 4 H GLN 4 11.980 -3.765 -9.311 26 HA GLN 4 HA GLN 4 9.339 -2.808 -10.203 27 HB2 GLN 4 HB2 GLN 4 9.523 -4.316 -8.207 28 HB3 GLN 4 HB3 GLN 4 10.491 -3.096 -7.388 29 HG2 GLN 4 HG2 GLN 4 8.526 -1.531 -7.536 30 HG3 GLN 4 HG3 GLN 4 7.574 -2.857 -8.199 31 HE21 GLN 4 HE21 GLN 4 7.076 -4.645 -6.797 32 HE22 GLN 4 HE22 GLN 4 7.131 -4.465 -5.083 33 HA PRO 5 HA PRO 5 11.358 1.348 -9.833 34 HB2 PRO 5 HB2 PRO 5 10.099 2.368 -12.138 35 HB3 PRO 5 HB3 PRO 5 11.665 1.558 -12.104 36 HG2 PRO 5 HG2 PRO 5 9.282 0.599 -13.349 37 HG3 PRO 5 HG3 PRO 5 10.804 -0.286 -13.140 38 HD2 PRO 5 HD2 PRO 5 8.306 -0.383 -11.474 39 HD3 PRO 5 HD3 PRO 5 9.464 -1.678 -11.859 40 H GLY 6 H GLY 6 9.285 0.735 -8.127 41 HA2 GLY 6 HA2 GLY 6 7.553 3.153 -8.196 42 HA3 GLY 6 HA3 GLY 6 6.882 1.568 -7.854 43 H LYS 7 H LYS 7 8.199 4.341 -6.496 44 HA LYS 7 HA LYS 7 9.387 3.313 -4.109 45 HB2 LYS 7 HB2 LYS 7 9.217 5.657 -3.265 46 HB3 LYS 7 HB3 LYS 7 9.945 5.553 -4.865 47 HG2 LYS 7 HG2 LYS 7 7.831 6.281 -5.899 48 HG3 LYS 7 HG3 LYS 7 7.060 6.326 -4.313 49 HD2 LYS 7 HD2 LYS 7 7.664 8.589 -4.987 50 HD3 LYS 7 HD3 LYS 7 8.641 8.106 -3.601 51 HE2 LYS 7 HE2 LYS 7 10.542 7.631 -5.104 52 HE3 LYS 7 HE3 LYS 7 9.557 8.092 -6.495 53 HZ1 LYS 7 HZ1 LYS 7 9.407 10.320 -5.632 54 HZ2 LYS 7 HZ2 LYS 7 11.032 9.870 -5.754 55 HZ3 LYS 7 HZ3 LYS 7 10.270 9.886 -4.242 56 H TYR 8 H TYR 8 6.075 4.370 -4.884 57 HA TYR 8 HA TYR 8 5.023 3.940 -2.235 58 HB2 TYR 8 HB2 TYR 8 3.641 4.396 -4.913 59 HB3 TYR 8 HB3 TYR 8 2.760 4.207 -3.397 60 HD1 TYR 8 HD1 TYR 8 3.111 5.898 -1.540 61 HD2 TYR 8 HD2 TYR 8 4.679 6.529 -5.465 62 HE1 TYR 8 HE1 TYR 8 3.436 8.279 -1.033 63 HE2 TYR 8 HE2 TYR 8 4.999 8.910 -4.954 64 HH TYR 8 HH TYR 8 4.989 10.148 -1.880 65 H SER 9 H SER 9 5.337 1.956 -5.148 66 HA SER 9 HA SER 9 3.844 -0.304 -4.314 67 HB2 SER 9 HB2 SER 9 6.349 -0.216 -6.058 68 HB3 SER 9 HB3 SER 9 5.250 -1.592 -5.924 69 HG SER 9 HG SER 9 3.782 -0.555 -7.090 70 H GLN 10 H GLN 10 7.236 0.616 -3.795 71 HA GLN 10 HA GLN 10 8.053 -1.614 -2.233 72 HB2 GLN 10 HB2 GLN 10 9.423 0.357 -3.423 73 HB3 GLN 10 HB3 GLN 10 9.269 1.151 -1.868 74 HG2 GLN 10 HG2 GLN 10 10.601 -1.537 -2.356 75 HG3 GLN 10 HG3 GLN 10 11.437 -0.004 -2.166 76 HE21 GLN 10 HE21 GLN 10 9.791 -2.585 -0.522 77 HE22 GLN 10 HE22 GLN 10 10.183 -2.087 1.081 78 H LEU 11 H LEU 11 6.640 1.543 -1.421 79 HA LEU 11 HA LEU 11 6.714 1.446 1.372 80 HB2 LEU 11 HB2 LEU 11 6.226 3.490 0.134 81 HB3 LEU 11 HB3 LEU 11 4.733 2.804 -0.481 82 HG LEU 11 HG LEU 11 3.765 2.830 1.808 83 HD11 LEU 11 HD11 LEU 11 5.790 2.547 3.151 84 HD12 LEU 11 HD12 LEU 11 4.909 3.984 3.657 85 HD13 LEU 11 HD13 LEU 11 6.362 4.149 2.670 86 HD21 LEU 11 HD21 LEU 11 3.411 4.761 0.325 87 HD22 LEU 11 HD22 LEU 11 4.872 5.526 0.955 88 HD23 LEU 11 HD23 LEU 11 3.486 5.259 2.014 89 H VAL 12 H VAL 12 4.285 0.077 -0.864 90 HA VAL 12 HA VAL 12 2.390 -0.743 1.101 91 HB VAL 12 HB VAL 12 2.922 -1.951 -1.658 92 HG11 VAL 12 HG11 VAL 12 0.623 -2.888 -1.507 93 HG12 VAL 12 HG12 VAL 12 0.498 -2.306 0.157 94 HG13 VAL 12 HG13 VAL 12 1.678 -3.548 -0.258 95 HG21 VAL 12 HG21 VAL 12 0.850 0.111 -0.792 96 HG22 VAL 12 HG22 VAL 12 1.011 -0.575 -2.411 97 HG23 VAL 12 HG23 VAL 12 2.295 0.436 -1.754 98 H VAL 13 H VAL 13 5.174 -2.407 -0.375 99 HA VAL 13 HA VAL 13 5.044 -4.892 0.927 100 HB VAL 13 HB VAL 13 7.521 -3.323 0.036 101 HG11 VAL 13 HG11 VAL 13 8.715 -5.502 0.000 102 HG12 VAL 13 HG12 VAL 13 7.305 -6.284 0.724 103 HG13 VAL 13 HG13 VAL 13 8.198 -5.059 1.628 104 HG21 VAL 13 HG21 VAL 13 5.948 -3.774 -1.812 105 HG22 VAL 13 HG22 VAL 13 5.950 -5.494 -1.424 106 HG23 VAL 13 HG23 VAL 13 7.424 -4.720 -2.009 107 H GLU 14 H GLU 14 6.529 -1.829 1.979 108 HA GLU 14 HA GLU 14 7.576 -2.726 4.463 109 HB2 GLU 14 HB2 GLU 14 6.812 0.076 3.539 110 HB3 GLU 14 HB3 GLU 14 7.734 -0.276 4.996 111 HG2 GLU 14 HG2 GLU 14 8.606 -0.854 2.149 112 HG3 GLU 14 HG3 GLU 14 9.193 0.453 3.174 113 H THR 15 H THR 15 4.486 -1.231 3.566 114 HA THR 15 HA THR 15 3.527 -0.562 6.126 115 HB THR 15 HB THR 15 2.113 -1.039 3.482 116 HG1 THR 15 HG1 THR 15 3.330 0.875 3.653 117 HG21 THR 15 HG21 THR 15 0.450 -1.592 5.197 118 HG22 THR 15 HG22 THR 15 0.068 -0.041 4.451 119 HG23 THR 15 HG23 THR 15 0.805 -0.088 6.053 120 H ILE 16 H ILE 16 2.700 -3.365 4.071 121 HA ILE 16 HA ILE 16 1.007 -4.691 5.925 122 HB ILE 16 HB ILE 16 2.567 -5.856 3.565 123 HG12 ILE 16 HG12 ILE 16 -0.302 -4.777 3.652 124 HG13 ILE 16 HG13 ILE 16 1.070 -3.918 2.964 125 HG21 ILE 16 HG21 ILE 16 0.855 -7.650 3.525 126 HG22 ILE 16 HG22 ILE 16 0.110 -6.981 4.979 127 HG23 ILE 16 HG23 ILE 16 1.742 -7.648 5.049 128 HD11 ILE 16 HD11 ILE 16 1.294 -5.661 1.252 129 HD12 ILE 16 HD12 ILE 16 -0.301 -4.908 1.241 130 HD13 ILE 16 HD13 ILE 16 -0.091 -6.509 1.947 131 H ARG 17 H ARG 17 4.479 -4.742 5.391 132 HA ARG 17 HA ARG 17 5.166 -6.886 7.143 133 HB2 ARG 17 HB2 ARG 17 6.694 -6.128 5.396 134 HB3 ARG 17 HB3 ARG 17 6.788 -4.522 6.112 135 HG2 ARG 17 HG2 ARG 17 8.001 -5.385 8.032 136 HG3 ARG 17 HG3 ARG 17 7.776 -7.047 7.483 137 HD2 ARG 17 HD2 ARG 17 9.175 -6.602 5.506 138 HD3 ARG 17 HD3 ARG 17 9.359 -4.917 6.004 139 HE ARG 17 HE ARG 17 10.801 -5.570 7.716 140 HH11 ARG 17 HH11 ARG 17 9.652 -8.398 6.072 141 HH12 ARG 17 HH12 ARG 17 10.908 -9.398 6.711 142 HH21 ARG 17 HH21 ARG 17 12.383 -6.871 8.518 143 HH22 ARG 17 HH22 ARG 17 12.436 -8.542 8.068 144 H ARG 18 H ARG 18 4.789 -3.353 7.676 145 HA ARG 18 HA ARG 18 5.772 -3.247 10.346 146 HB2 ARG 18 HB2 ARG 18 3.707 -1.423 9.030 147 HB3 ARG 18 HB3 ARG 18 4.494 -1.096 10.566 148 HG2 ARG 18 HG2 ARG 18 5.738 -1.095 7.815 149 HG3 ARG 18 HG3 ARG 18 5.512 0.265 8.905 150 HD2 ARG 18 HD2 ARG 18 7.708 -0.079 9.432 151 HD3 ARG 18 HD3 ARG 18 7.104 -1.385 10.443 152 HE ARG 18 HE ARG 18 7.847 -2.946 8.872 153 HH11 ARG 18 HH11 ARG 18 8.472 0.262 7.719 154 HH12 ARG 18 HH12 ARG 18 9.597 -0.283 6.522 155 HH21 ARG 18 HH21 ARG 18 9.324 -3.586 7.342 156 HH22 ARG 18 HH22 ARG 18 10.059 -2.414 6.307 157 H LEU 19 H LEU 19 2.463 -3.430 9.078 158 HA LEU 19 HA LEU 19 1.082 -3.589 11.542 159 HB2 LEU 19 HB2 LEU 19 0.255 -4.534 8.764 160 HB3 LEU 19 HB3 LEU 19 -0.832 -4.351 10.131 161 HG LEU 19 HG LEU 19 0.699 -2.018 8.923 162 HD11 LEU 19 HD11 LEU 19 -1.371 -1.354 7.791 163 HD12 LEU 19 HD12 LEU 19 -2.177 -2.819 8.357 164 HD13 LEU 19 HD13 LEU 19 -0.829 -2.932 7.222 165 HD21 LEU 19 HD21 LEU 19 -0.926 -0.633 10.153 166 HD22 LEU 19 HD22 LEU 19 0.010 -1.650 11.243 167 HD23 LEU 19 HD23 LEU 19 -1.653 -2.089 10.844 168 H GLY 20 H GLY 20 2.274 -6.105 9.307 169 HA2 GLY 20 HA2 GLY 20 2.309 -8.406 9.385 170 HA3 GLY 20 HA3 GLY 20 2.273 -8.259 11.136 171 H GLU 21 H GLU 21 -0.068 -7.431 8.578 172 HA GLU 21 HA GLU 21 -2.330 -7.982 10.183 173 HB2 GLU 21 HB2 GLU 21 -2.015 -7.406 7.227 174 HB3 GLU 21 HB3 GLU 21 -3.596 -7.650 7.963 175 HG2 GLU 21 HG2 GLU 21 -1.606 -5.505 8.708 176 HG3 GLU 21 HG3 GLU 21 -3.025 -5.273 7.705 177 H ARG 22 H ARG 22 -4.024 -9.418 9.875 178 HA ARG 22 HA ARG 22 -3.169 -12.156 9.232 179 HB2 ARG 22 HB2 ARG 22 -5.287 -12.768 10.553 180 HB3 ARG 22 HB3 ARG 22 -3.968 -12.051 11.458 181 HG2 ARG 22 HG2 ARG 22 -5.938 -10.047 10.502 182 HG3 ARG 22 HG3 ARG 22 -6.643 -11.256 11.569 183 HD2 ARG 22 HD2 ARG 22 -5.861 -9.204 12.750 184 HD3 ARG 22 HD3 ARG 22 -5.113 -10.687 13.346 185 HE ARG 22 HE ARG 22 -3.196 -9.924 11.727 186 HH11 ARG 22 HH11 ARG 22 -5.092 -7.787 13.669 187 HH12 ARG 22 HH12 ARG 22 -3.776 -6.703 13.942 188 HH21 ARG 22 HH21 ARG 22 -1.526 -8.516 12.117 189 HH22 ARG 22 HH22 ARG 22 -1.802 -7.106 13.073 190 H ASN 23 H ASN 23 -3.731 -12.976 7.320 191 HA ASN 23 HA ASN 23 -4.887 -13.655 5.488 192 HB2 ASN 23 HB2 ASN 23 -7.280 -12.916 7.224 193 HB3 ASN 23 HB3 ASN 23 -7.450 -13.679 5.648 194 HD21 ASN 23 HD21 ASN 23 -4.862 -14.535 7.936 195 HD22 ASN 23 HD22 ASN 23 -5.464 -16.119 8.252 196 H GLY 24 H GLY 24 -4.033 -10.795 5.684 197 HA2 GLY 24 HA2 GLY 24 -3.960 -9.186 3.951 198 HA3 GLY 24 HA3 GLY 24 -5.513 -9.751 3.354 199 H SER 25 H SER 25 -4.932 -7.024 3.646 200 HA SER 25 HA SER 25 -6.876 -6.208 5.736 201 HB2 SER 25 HB2 SER 25 -4.513 -5.974 6.581 202 HB3 SER 25 HB3 SER 25 -4.223 -4.786 5.312 203 HG SER 25 HG SER 25 -5.350 -4.440 7.697 204 H SER 26 H SER 26 -7.829 -4.139 5.469 205 HA SER 26 HA SER 26 -8.571 -3.539 2.768 206 HB2 SER 26 HB2 SER 26 -9.232 -2.012 5.323 207 HB3 SER 26 HB3 SER 26 -10.063 -1.848 3.770 208 HG SER 26 HG SER 26 -10.675 -3.493 5.687 209 H LEU 27 H LEU 27 -8.429 -1.492 1.688 210 HA LEU 27 HA LEU 27 -5.914 -0.301 1.486 211 HB2 LEU 27 HB2 LEU 27 -7.620 -0.255 -0.301 212 HB3 LEU 27 HB3 LEU 27 -8.614 0.830 0.652 213 HG LEU 27 HG LEU 27 -6.868 2.607 0.427 214 HD11 LEU 27 HD11 LEU 27 -5.438 0.664 -1.407 215 HD12 LEU 27 HD12 LEU 27 -4.867 1.242 0.160 216 HD13 LEU 27 HD13 LEU 27 -5.030 2.369 -1.183 217 HD21 LEU 27 HD21 LEU 27 -8.747 2.549 -1.161 218 HD22 LEU 27 HD22 LEU 27 -7.821 1.499 -2.237 219 HD23 LEU 27 HD23 LEU 27 -7.282 3.152 -1.934 220 H ALA 28 H ALA 28 -8.572 0.601 3.614 221 HA ALA 28 HA ALA 28 -7.663 3.180 4.429 222 HB1 ALA 28 HB1 ALA 28 -9.420 1.199 5.929 223 HB2 ALA 28 HB2 ALA 28 -9.973 2.415 4.779 224 HB3 ALA 28 HB3 ALA 28 -9.242 2.916 6.302 225 H LYS 29 H LYS 29 -7.170 -0.080 5.842 226 HA LYS 29 HA LYS 29 -5.616 0.800 8.094 227 HB2 LYS 29 HB2 LYS 29 -6.996 -1.286 8.070 228 HB3 LYS 29 HB3 LYS 29 -5.918 -1.972 6.865 229 HG2 LYS 29 HG2 LYS 29 -5.340 -2.942 8.973 230 HG3 LYS 29 HG3 LYS 29 -4.045 -1.822 8.547 231 HD2 LYS 29 HD2 LYS 29 -4.948 -0.146 10.111 232 HD3 LYS 29 HD3 LYS 29 -6.307 -1.211 10.491 233 HE2 LYS 29 HE2 LYS 29 -4.703 -2.895 11.388 234 HE3 LYS 29 HE3 LYS 29 -3.376 -1.781 11.064 235 HZ1 LYS 29 HZ1 LYS 29 -3.969 -1.615 13.342 236 HZ2 LYS 29 HZ2 LYS 29 -5.603 -1.407 12.981 237 HZ3 LYS 29 HZ3 LYS 29 -4.496 -0.194 12.586 238 H ILE 30 H ILE 30 -4.864 -0.425 4.855 239 HA ILE 30 HA ILE 30 -2.027 -0.533 5.108 240 HB ILE 30 HB ILE 30 -3.789 -0.199 2.633 241 HG12 ILE 30 HG12 ILE 30 -2.420 -2.680 3.795 242 HG13 ILE 30 HG13 ILE 30 -4.140 -2.328 3.889 243 HG21 ILE 30 HG21 ILE 30 -0.815 -0.864 2.720 244 HG22 ILE 30 HG22 ILE 30 -1.534 0.618 2.085 245 HG23 ILE 30 HG23 ILE 30 -1.832 -0.920 1.278 246 HD11 ILE 30 HD11 ILE 30 -3.671 -4.001 2.205 247 HD12 ILE 30 HD12 ILE 30 -2.584 -2.898 1.364 248 HD13 ILE 30 HD13 ILE 30 -4.312 -2.543 1.450 249 H TYR 31 H TYR 31 -4.287 2.067 4.250 250 HA TYR 31 HA TYR 31 -2.395 4.068 3.571 251 HB2 TYR 31 HB2 TYR 31 -4.861 4.164 3.085 252 HB3 TYR 31 HB3 TYR 31 -5.168 4.422 4.796 253 HD1 TYR 31 HD2 TYR 31 -3.815 5.956 1.708 254 HD2 TYR 31 HD1 TYR 31 -4.797 6.640 5.811 255 HE1 TYR 31 HE2 TYR 31 -3.625 8.375 1.340 256 HE2 TYR 31 HE1 TYR 31 -4.591 9.059 5.450 257 HH TYR 31 HH TYR 31 -3.498 10.627 3.918 258 H THR 32 H THR 32 -3.556 2.850 6.661 259 HA THR 32 HA THR 32 -3.037 4.998 8.365 260 HB THR 32 HB THR 32 -2.840 2.060 9.162 261 HG1 THR 32 HG1 THR 32 -4.925 3.376 8.140 262 HG21 THR 32 HG21 THR 32 -3.623 2.840 11.372 263 HG22 THR 32 HG22 THR 32 -3.635 4.508 10.791 264 HG23 THR 32 HG23 THR 32 -2.108 3.637 10.941 265 H GLU 33 H GLU 33 -0.761 2.399 7.378 266 HA GLU 33 HA GLU 33 1.436 3.552 8.935 267 HB2 GLU 33 HB2 GLU 33 1.445 1.319 6.862 268 HB3 GLU 33 HB3 GLU 33 2.867 1.849 7.747 269 HG2 GLU 33 HG2 GLU 33 0.397 0.547 8.888 270 HG3 GLU 33 HG3 GLU 33 2.001 -0.163 8.744 271 H ALA 34 H ALA 34 0.351 3.489 5.578 272 HA ALA 34 HA ALA 34 2.688 4.437 4.335 273 HB1 ALA 34 HB1 ALA 34 0.893 3.262 3.154 274 HB2 ALA 34 HB2 ALA 34 1.258 4.807 2.382 275 HB3 ALA 34 HB3 ALA 34 -0.180 4.642 3.393 276 H LYS 35 H LYS 35 -0.001 6.199 5.815 277 HA LYS 35 HA LYS 35 0.596 8.799 4.798 278 HB2 LYS 35 HB2 LYS 35 -0.933 9.627 6.589 279 HB3 LYS 35 HB3 LYS 35 -1.624 8.289 5.681 280 HG2 LYS 35 HG2 LYS 35 -1.009 6.729 7.501 281 HG3 LYS 35 HG3 LYS 35 -0.355 8.072 8.431 282 HD2 LYS 35 HD2 LYS 35 -3.247 8.141 7.529 283 HD3 LYS 35 HD3 LYS 35 -2.791 7.164 8.919 284 HE2 LYS 35 HE2 LYS 35 -3.588 9.316 9.687 285 HE3 LYS 35 HE3 LYS 35 -1.862 9.191 10.016 286 HZ1 LYS 35 HZ1 LYS 35 -2.496 11.361 9.164 287 HZ2 LYS 35 HZ2 LYS 35 -3.075 10.656 7.744 288 HZ3 LYS 35 HZ3 LYS 35 -1.431 10.587 8.108 289 H LYS 36 H LYS 36 2.194 6.932 7.194 290 HA LYS 36 HA LYS 36 3.003 9.051 8.953 291 HB2 LYS 36 HB2 LYS 36 3.961 6.179 8.752 292 HB3 LYS 36 HB3 LYS 36 4.393 7.286 10.053 293 HG2 LYS 36 HG2 LYS 36 2.016 7.446 10.720 294 HG3 LYS 36 HG3 LYS 36 1.568 6.355 9.404 295 HD2 LYS 36 HD2 LYS 36 2.880 4.540 10.440 296 HD3 LYS 36 HD3 LYS 36 3.390 5.627 11.736 297 HE2 LYS 36 HE2 LYS 36 1.047 5.846 12.485 298 HE3 LYS 36 HE3 LYS 36 0.520 4.788 11.174 299 HZ1 LYS 36 HZ1 LYS 36 0.697 3.597 13.257 300 HZ2 LYS 36 HZ2 LYS 36 2.331 4.018 13.395 301 HZ3 LYS 36 HZ3 LYS 36 1.823 3.006 12.141 302 H VAL 37 H VAL 37 4.593 7.466 6.184 303 HA VAL 37 HA VAL 37 7.234 8.354 6.686 304 HB VAL 37 HB VAL 37 7.326 8.251 3.922 305 HG11 VAL 37 HG11 VAL 37 7.407 5.830 5.730 306 HG12 VAL 37 HG12 VAL 37 8.736 6.948 5.409 307 HG13 VAL 37 HG13 VAL 37 8.085 5.957 4.104 308 HG21 VAL 37 HG21 VAL 37 5.878 6.483 3.082 309 HG22 VAL 37 HG22 VAL 37 4.899 7.800 3.724 310 HG23 VAL 37 HG23 VAL 37 5.097 6.322 4.659 311 HA PRO 38 HA PRO 38 7.030 12.741 5.819 312 HB2 PRO 38 HB2 PRO 38 9.680 13.322 5.559 313 HB3 PRO 38 HB3 PRO 38 8.970 12.853 7.110 314 HG2 PRO 38 HG2 PRO 38 10.453 11.129 5.119 315 HG3 PRO 38 HG3 PRO 38 10.699 11.261 6.876 316 HD2 PRO 38 HD2 PRO 38 9.248 9.248 5.787 317 HD3 PRO 38 HD3 PRO 38 8.826 9.951 7.366 318 H TRP 39 H TRP 39 8.345 10.518 3.451 319 HA TRP 39 HA TRP 39 8.413 12.555 1.323 320 HB2 TRP 39 HB2 TRP 39 9.321 10.758 -0.123 321 HB3 TRP 39 HB3 TRP 39 10.272 10.971 1.338 322 HD1 TRP 39 HD1 TRP 39 10.399 8.900 3.035 323 HE1 TRP 39 HE1 TRP 39 9.746 6.424 2.810 324 HE3 TRP 39 HE3 TRP 39 7.541 9.167 -1.210 325 HZ2 TRP 39 HZ2 TRP 39 8.214 4.805 1.094 326 HZ3 TRP 39 HZ3 TRP 39 6.523 7.102 -2.074 327 HH2 TRP 39 HH2 TRP 39 6.855 4.965 -0.946 328 H PHE 40 H PHE 40 6.124 10.381 2.650 329 HA PHE 40 HA PHE 40 4.576 9.667 0.407 330 HB2 PHE 40 HB2 PHE 40 4.245 8.747 2.695 331 HB3 PHE 40 HB3 PHE 40 3.568 10.279 3.216 332 HD1 PHE 40 HD2 PHE 40 3.030 7.435 0.852 333 HD2 PHE 40 HD1 PHE 40 1.209 10.676 2.951 334 HE1 PHE 40 HE2 PHE 40 0.803 6.606 0.216 335 HE2 PHE 40 HE1 PHE 40 -1.014 9.841 2.318 336 HZ PHE 40 HZ PHE 40 -1.221 7.802 0.950 337 H ASP 41 H ASP 41 3.234 10.753 -0.894 338 HA ASP 41 HA ASP 41 2.741 13.582 -0.626 339 HB2 ASP 41 HB2 ASP 41 3.143 12.478 -2.819 340 HB3 ASP 41 HB3 ASP 41 1.679 11.524 -2.617 341 H GLN 42 H GLN 42 1.260 14.253 0.877 342 HA GLN 42 HA GLN 42 -0.629 12.437 2.089 343 HB2 GLN 42 HB2 GLN 42 -0.177 15.404 2.573 344 HB3 GLN 42 HB3 GLN 42 -1.118 14.340 3.613 345 HG2 GLN 42 HG2 GLN 42 1.854 14.062 3.067 346 HG3 GLN 42 HG3 GLN 42 1.152 14.817 4.492 347 HE21 GLN 42 HE21 GLN 42 -0.960 12.799 4.816 348 HE22 GLN 42 HE22 GLN 42 -0.169 11.384 5.389 349 H GLN 43 H GLN 43 -1.094 13.728 -0.767 350 HA GLN 43 HA GLN 43 -3.916 14.540 -0.389 351 HB2 GLN 43 HB2 GLN 43 -3.345 15.925 -2.624 352 HB3 GLN 43 HB3 GLN 43 -3.037 16.585 -1.024 353 HG2 GLN 43 HG2 GLN 43 -0.673 15.931 -1.181 354 HG3 GLN 43 HG3 GLN 43 -0.967 15.209 -2.760 355 HE21 GLN 43 HE21 GLN 43 0.597 16.533 -3.715 356 HE22 GLN 43 HE22 GLN 43 0.335 18.218 -3.997 357 H ASN 44 H ASN 44 -1.834 13.642 -3.194 358 HA ASN 44 HA ASN 44 -3.981 12.013 -4.345 359 HB2 ASN 44 HB2 ASN 44 -1.186 12.407 -5.484 360 HB3 ASN 44 HB3 ASN 44 -2.651 11.958 -6.353 361 HD21 ASN 44 HD21 ASN 44 -0.808 14.556 -4.989 362 HD22 ASN 44 HD22 ASN 44 -1.737 15.847 -5.671 363 H GLY 45 H GLY 45 -1.572 11.452 -2.106 364 HA2 GLY 45 HA2 GLY 45 -0.275 9.100 -2.837 365 HA3 GLY 45 HA3 GLY 45 -0.564 9.629 -1.197 366 H ARG 46 H ARG 46 -3.507 9.465 -1.413 367 HA ARG 46 HA ARG 46 -4.078 6.799 -0.739 368 HB2 ARG 46 HB2 ARG 46 -5.615 8.664 -0.217 369 HB3 ARG 46 HB3 ARG 46 -5.925 8.917 -1.927 370 HG2 ARG 46 HG2 ARG 46 -7.831 7.771 -1.151 371 HG3 ARG 46 HG3 ARG 46 -6.881 6.528 -1.959 372 HD2 ARG 46 HD2 ARG 46 -7.732 5.583 0.075 373 HD3 ARG 46 HD3 ARG 46 -6.000 5.848 0.316 374 HE ARG 46 HE ARG 46 -7.172 8.127 1.268 375 HH11 ARG 46 HH11 ARG 46 -7.506 4.771 2.083 376 HH12 ARG 46 HH12 ARG 46 -7.981 5.123 3.707 377 HH21 ARG 46 HH21 ARG 46 -7.807 8.522 3.318 378 HH22 ARG 46 HH22 ARG 46 -8.160 7.218 4.393 379 H THR 47 H THR 47 -4.370 8.480 -3.864 380 HA THR 47 HA THR 47 -5.313 6.250 -5.400 381 HB THR 47 HB THR 47 -4.022 8.850 -6.369 382 HG1 THR 47 HG1 THR 47 -5.991 9.710 -6.244 383 HG21 THR 47 HG21 THR 47 -5.782 6.869 -7.880 384 HG22 THR 47 HG22 THR 47 -4.062 7.141 -8.165 385 HG23 THR 47 HG23 THR 47 -5.224 8.425 -8.500 386 H TYR 48 H TYR 48 -2.081 7.610 -4.744 387 HA TYR 48 HA TYR 48 -0.597 6.024 -6.566 388 HB2 TYR 48 HB2 TYR 48 0.297 7.252 -3.924 389 HB3 TYR 48 HB3 TYR 48 1.395 6.544 -5.110 390 HD1 TYR 48 HD1 TYR 48 -0.212 7.748 -7.566 391 HD2 TYR 48 HD2 TYR 48 1.402 9.449 -3.997 392 HE1 TYR 48 HE1 TYR 48 -0.018 9.915 -8.686 393 HE2 TYR 48 HE2 TYR 48 1.591 11.625 -5.121 394 HH TYR 48 HH TYR 48 0.088 12.311 -8.080 395 H LEU 49 H LEU 49 -1.625 5.389 -3.226 396 HA LEU 49 HA LEU 49 -0.427 2.803 -2.968 397 HB2 LEU 49 HB2 LEU 49 -2.872 3.950 -1.571 398 HB3 LEU 49 HB3 LEU 49 -2.032 2.483 -1.088 399 HG LEU 49 HG LEU 49 -0.853 5.286 -1.015 400 HD11 LEU 49 HD11 LEU 49 -2.610 4.986 0.663 401 HD12 LEU 49 HD12 LEU 49 -1.025 5.104 1.418 402 HD13 LEU 49 HD13 LEU 49 -1.808 3.530 1.265 403 HD21 LEU 49 HD21 LEU 49 0.348 2.669 -0.035 404 HD22 LEU 49 HD22 LEU 49 1.044 4.277 0.184 405 HD23 LEU 49 HD23 LEU 49 0.892 3.601 -1.434 406 H LYS 50 H LYS 50 -3.708 3.892 -3.782 407 HA LYS 50 HA LYS 50 -5.044 1.490 -4.098 408 HB2 LYS 50 HB2 LYS 50 -5.997 3.812 -4.009 409 HB3 LYS 50 HB3 LYS 50 -5.472 4.077 -5.659 410 HG2 LYS 50 HG2 LYS 50 -7.404 1.848 -4.985 411 HG3 LYS 50 HG3 LYS 50 -7.961 3.508 -5.166 412 HD2 LYS 50 HD2 LYS 50 -7.031 3.535 -7.492 413 HD3 LYS 50 HD3 LYS 50 -6.572 1.839 -7.301 414 HE2 LYS 50 HE2 LYS 50 -9.389 2.974 -7.266 415 HE3 LYS 50 HE3 LYS 50 -8.667 1.967 -8.522 416 HZ1 LYS 50 HZ1 LYS 50 -8.415 0.231 -6.744 417 HZ2 LYS 50 HZ2 LYS 50 -9.995 0.567 -7.225 418 HZ3 LYS 50 HZ3 LYS 50 -9.411 1.191 -5.770 419 H TYR 51 H TYR 51 -3.083 3.246 -6.460 420 HA TYR 51 HA TYR 51 -3.593 1.440 -8.652 421 HB2 TYR 51 HB2 TYR 51 -2.471 4.087 -8.364 422 HB3 TYR 51 HB3 TYR 51 -1.268 3.106 -9.181 423 HD1 TYR 51 HD1 TYR 51 -2.514 1.431 -11.044 424 HD2 TYR 51 HD2 TYR 51 -3.815 5.331 -9.860 425 HE1 TYR 51 HE1 TYR 51 -3.671 1.698 -13.189 426 HE2 TYR 51 HE2 TYR 51 -4.977 5.591 -12.009 427 HH TYR 51 HH TYR 51 -4.799 4.670 -14.315 428 H SER 52 H SER 52 -0.833 2.032 -6.441 429 HA SER 52 HA SER 52 1.009 0.301 -7.720 430 HB2 SER 52 HB2 SER 52 2.363 0.464 -5.658 431 HB3 SER 52 HB3 SER 52 1.756 2.049 -6.142 432 HG SER 52 HG SER 52 0.854 2.172 -4.261 433 H ILE 53 H ILE 53 -1.079 -0.215 -4.888 434 HA ILE 53 HA ILE 53 -0.582 -2.872 -4.279 435 HB ILE 53 HB ILE 53 -3.187 -1.295 -4.115 436 HG12 ILE 53 HG12 ILE 53 -1.133 -2.032 -1.973 437 HG13 ILE 53 HG13 ILE 53 -1.332 -0.446 -2.701 438 HG21 ILE 53 HG21 ILE 53 -4.052 -3.015 -2.552 439 HG22 ILE 53 HG22 ILE 53 -2.638 -4.020 -2.878 440 HG23 ILE 53 HG23 ILE 53 -3.791 -3.672 -4.165 441 HD11 ILE 53 HD11 ILE 53 -2.296 -0.501 -0.502 442 HD12 ILE 53 HD12 ILE 53 -3.326 -1.861 -0.940 443 HD13 ILE 53 HD13 ILE 53 -3.569 -0.286 -1.701 444 H LYS 54 H LYS 54 -3.033 -1.604 -6.587 445 HA LYS 54 HA LYS 54 -4.097 -4.057 -7.457 446 HB2 LYS 54 HB2 LYS 54 -5.093 -1.779 -7.854 447 HB3 LYS 54 HB3 LYS 54 -3.865 -1.466 -9.068 448 HG2 LYS 54 HG2 LYS 54 -5.765 -3.818 -9.332 449 HG3 LYS 54 HG3 LYS 54 -6.254 -2.204 -9.828 450 HD2 LYS 54 HD2 LYS 54 -3.857 -3.714 -10.953 451 HD3 LYS 54 HD3 LYS 54 -5.436 -3.605 -11.726 452 HE2 LYS 54 HE2 LYS 54 -3.693 -1.196 -11.090 453 HE3 LYS 54 HE3 LYS 54 -3.725 -2.010 -12.654 454 HZ1 LYS 54 HZ1 LYS 54 -6.039 -0.702 -11.341 455 HZ2 LYS 54 HZ2 LYS 54 -6.075 -1.498 -12.827 456 HZ3 LYS 54 HZ3 LYS 54 -5.158 -0.087 -12.647 457 H ALA 55 H ALA 55 -1.400 -2.138 -8.736 458 HA ALA 55 HA ALA 55 -0.714 -3.740 -10.958 459 HB1 ALA 55 HB1 ALA 55 0.047 -1.417 -10.679 460 HB2 ALA 55 HB2 ALA 55 1.413 -2.508 -10.938 461 HB3 ALA 55 HB3 ALA 55 1.060 -1.907 -9.316 462 H LEU 56 H LEU 56 0.397 -3.825 -7.571 463 HA LEU 56 HA LEU 56 2.330 -5.902 -7.939 464 HB2 LEU 56 HB2 LEU 56 0.991 -4.892 -5.413 465 HB3 LEU 56 HB3 LEU 56 2.314 -6.045 -5.438 466 HG LEU 56 HG LEU 56 2.426 -3.128 -6.282 467 HD11 LEU 56 HD11 LEU 56 4.043 -2.895 -4.442 468 HD12 LEU 56 HD12 LEU 56 3.807 -4.591 -4.016 469 HD13 LEU 56 HD13 LEU 56 2.470 -3.449 -3.866 470 HD21 LEU 56 HD21 LEU 56 3.809 -4.398 -7.848 471 HD22 LEU 56 HD22 LEU 56 4.634 -5.201 -6.507 472 HD23 LEU 56 HD23 LEU 56 4.826 -3.463 -6.751 473 H VAL 57 H VAL 57 -1.118 -5.909 -7.129 474 HA VAL 57 HA VAL 57 -1.329 -8.719 -6.570 475 HB VAL 57 HB VAL 57 -3.430 -6.674 -7.459 476 HG11 VAL 57 HG11 VAL 57 -3.921 -9.543 -6.559 477 HG12 VAL 57 HG12 VAL 57 -4.192 -8.898 -8.177 478 HG13 VAL 57 HG13 VAL 57 -5.173 -8.325 -6.830 479 HG21 VAL 57 HG21 VAL 57 -2.933 -7.945 -4.729 480 HG22 VAL 57 HG22 VAL 57 -4.197 -6.771 -5.109 481 HG23 VAL 57 HG23 VAL 57 -2.501 -6.299 -5.194 482 H GLN 58 H GLN 58 -1.412 -6.737 -9.479 483 HA GLN 58 HA GLN 58 -2.315 -8.692 -11.331 484 HB2 GLN 58 HB2 GLN 58 -2.450 -6.161 -11.563 485 HB3 GLN 58 HB3 GLN 58 -0.721 -6.153 -11.879 486 HG2 GLN 58 HG2 GLN 58 -1.872 -6.004 -13.970 487 HG3 GLN 58 HG3 GLN 58 -1.127 -7.600 -13.875 488 HE21 GLN 58 HE21 GLN 58 -2.502 -9.434 -13.623 489 HE22 GLN 58 HE22 GLN 58 -4.196 -9.349 -13.943 490 H ASN 59 H ASN 59 0.914 -7.679 -10.214 491 HA ASN 59 HA ASN 59 2.257 -9.692 -11.909 492 HB2 ASN 59 HB2 ASN 59 3.449 -7.678 -9.946 493 HB3 ASN 59 HB3 ASN 59 4.382 -8.772 -10.962 494 HD21 ASN 59 HD21 ASN 59 2.813 -5.758 -10.803 495 HD22 ASN 59 HD22 ASN 59 3.068 -5.277 -12.435 496 H ASP 60 H ASP 60 0.592 -9.852 -9.114 497 HA ASP 60 HA ASP 60 0.470 -11.122 -7.274 498 HB2 ASP 60 HB2 ASP 60 2.057 -13.044 -9.015 499 HB3 ASP 60 HB3 ASP 60 1.268 -13.507 -7.506 500 H THR 61 H THR 61 2.712 -9.240 -7.313 501 HA THR 61 HA THR 61 4.608 -10.184 -5.374 502 HB THR 61 HB THR 61 3.517 -7.358 -5.823 503 HG1 THR 61 HG1 THR 61 6.003 -8.289 -6.785 504 HG21 THR 61 HG21 THR 61 6.101 -8.200 -4.451 505 HG22 THR 61 HG22 THR 61 4.677 -7.546 -3.637 506 HG23 THR 61 HG23 THR 61 5.586 -6.541 -4.765 507 H LEU 62 H LEU 62 1.308 -8.945 -5.319 508 HA LEU 62 HA LEU 62 1.032 -9.524 -2.415 509 HB2 LEU 62 HB2 LEU 62 -0.663 -7.649 -4.119 510 HB3 LEU 62 HB3 LEU 62 -0.894 -7.968 -2.409 511 HG LEU 62 HG LEU 62 1.447 -6.488 -3.659 512 HD11 LEU 62 HD11 LEU 62 -0.641 -5.191 -3.602 513 HD12 LEU 62 HD12 LEU 62 0.561 -4.526 -2.503 514 HD13 LEU 62 HD13 LEU 62 -0.781 -5.478 -1.864 515 HD21 LEU 62 HD21 LEU 62 2.220 -6.040 -1.363 516 HD22 LEU 62 HD22 LEU 62 2.258 -7.761 -1.734 517 HD23 LEU 62 HD23 LEU 62 0.964 -7.108 -0.726 518 H LEU 63 H LEU 63 -1.012 -10.422 -1.745 519 HA LEU 63 HA LEU 63 -2.568 -11.918 -3.766 520 HB2 LEU 63 HB2 LEU 63 -2.154 -12.318 -0.783 521 HB3 LEU 63 HB3 LEU 63 -3.433 -13.148 -1.658 522 HG LEU 63 HG LEU 63 -0.482 -13.421 -2.333 523 HD11 LEU 63 HD11 LEU 63 -2.209 -15.321 -0.717 524 HD12 LEU 63 HD12 LEU 63 -0.888 -14.329 -0.092 525 HD13 LEU 63 HD13 LEU 63 -0.550 -15.614 -1.247 526 HD21 LEU 63 HD21 LEU 63 -2.898 -15.013 -3.269 527 HD22 LEU 63 HD22 LEU 63 -1.215 -15.368 -3.663 528 HD23 LEU 63 HD23 LEU 63 -1.953 -13.878 -4.240 529 H GLN 64 H GLN 64 -4.490 -11.042 -4.289 530 HA GLN 64 HA GLN 64 -5.939 -9.259 -2.475 531 HB2 GLN 64 HB2 GLN 64 -5.963 -8.766 -4.887 532 HB3 GLN 64 HB3 GLN 64 -6.691 -10.329 -5.232 533 HG2 GLN 64 HG2 GLN 64 -8.735 -9.673 -4.046 534 HG3 GLN 64 HG3 GLN 64 -8.003 -8.132 -3.600 535 HE21 GLN 64 HE21 GLN 64 -9.327 -10.003 -6.251 536 HE22 GLN 64 HE22 GLN 64 -9.533 -8.675 -7.334 537 H VAL 65 H VAL 65 -6.786 -10.286 -0.809 538 HA VAL 65 HA VAL 65 -7.950 -12.972 -0.949 539 HB VAL 65 HB VAL 65 -7.593 -11.152 1.481 540 HG11 VAL 65 HG11 VAL 65 -7.866 -13.195 2.843 541 HG12 VAL 65 HG12 VAL 65 -8.178 -14.138 1.382 542 HG13 VAL 65 HG13 VAL 65 -9.303 -12.869 1.872 543 HG21 VAL 65 HG21 VAL 65 -5.411 -11.659 0.481 544 HG22 VAL 65 HG22 VAL 65 -5.769 -13.389 0.514 545 HG23 VAL 65 HG23 VAL 65 -5.590 -12.493 2.026 546 H LYS 66 H LYS 66 -9.742 -12.390 -2.272 547 HA LYS 66 HA LYS 66 -11.874 -11.874 -2.767 548 HB2 LYS 66 HB2 LYS 66 -12.140 -11.977 0.260 549 HB3 LYS 66 HB3 LYS 66 -13.528 -11.750 -0.792 550 HG2 LYS 66 HG2 LYS 66 -11.699 -14.176 -0.800 551 HG3 LYS 66 HG3 LYS 66 -13.296 -14.084 -0.055 552 HD2 LYS 66 HD2 LYS 66 -14.214 -13.533 -2.385 553 HD3 LYS 66 HD3 LYS 66 -12.623 -13.963 -3.017 554 HE2 LYS 66 HE2 LYS 66 -14.462 -15.805 -1.451 555 HE3 LYS 66 HE3 LYS 66 -14.210 -15.842 -3.193 556 HZ1 LYS 66 HZ1 LYS 66 -12.924 -17.536 -2.098 557 HZ2 LYS 66 HZ2 LYS 66 -12.154 -16.389 -1.125 558 HZ3 LYS 66 HZ3 LYS 66 -11.885 -16.399 -2.790 559 H GLY 67 H GLY 67 -13.817 -10.262 -2.155 560 HA2 GLY 67 HA2 GLY 67 -12.758 -7.507 -1.907 561 HA3 GLY 67 HA3 GLY 67 -14.352 -7.974 -2.494 562 H THR 68 H THR 68 -12.925 -9.306 0.431 563 HA THR 68 HA THR 68 -15.255 -8.854 1.983 564 HB THR 68 HB THR 68 -13.912 -10.800 2.460 565 HG1 THR 68 HG1 THR 68 -13.644 -10.499 4.772 566 HG21 THR 68 HG21 THR 68 -11.665 -9.950 1.875 567 HG22 THR 68 HG22 THR 68 -11.667 -10.709 3.467 568 HG23 THR 68 HG23 THR 68 -11.663 -8.951 3.332 569 H GLY 69 H GLY 69 -12.093 -7.195 1.962 570 HA2 GLY 69 HA2 GLY 69 -12.883 -5.225 3.956 571 HA3 GLY 69 HA3 GLY 69 -11.394 -5.250 3.019 572 H ALA 70 H ALA 70 -14.881 -5.031 2.264 573 HA ALA 70 HA ALA 70 -16.135 -3.874 0.796 574 HB1 ALA 70 HB1 ALA 70 -15.782 -1.452 0.587 575 HB2 ALA 70 HB2 ALA 70 -14.158 -1.618 1.265 576 HB3 ALA 70 HB3 ALA 70 -15.569 -1.979 2.257 577 H ASN 71 H ASN 71 -13.021 -2.446 -0.173 578 HA ASN 71 HA ASN 71 -13.398 -3.018 -2.984 579 HB2 ASN 71 HB2 ASN 71 -11.070 -1.843 -1.402 580 HB3 ASN 71 HB3 ASN 71 -11.087 -1.970 -3.157 581 HD21 ASN 71 HD21 ASN 71 -14.058 -1.096 -1.462 582 HD22 ASN 71 HD22 ASN 71 -14.029 0.562 -1.904 583 H GLY 72 H GLY 72 -11.305 -4.177 -0.353 584 HA2 GLY 72 HA2 GLY 72 -11.117 -6.833 -0.971 585 HA3 GLY 72 HA3 GLY 72 -9.841 -6.099 -1.939 586 H SER 73 H SER 73 -9.258 -7.990 0.008 587 HA SER 73 HA SER 73 -7.820 -6.359 2.057 588 HB2 SER 73 HB2 SER 73 -8.862 -9.209 2.261 589 HB3 SER 73 HB3 SER 73 -7.811 -8.451 3.458 590 HG SER 73 HG SER 73 -9.549 -6.728 3.426 591 H PHE 74 H PHE 74 -5.669 -6.285 1.760 592 HA PHE 74 HA PHE 74 -4.435 -8.139 -0.196 593 HB2 PHE 74 HB2 PHE 74 -3.612 -5.251 0.337 594 HB3 PHE 74 HB3 PHE 74 -3.133 -6.275 -1.014 595 HD1 PHE 74 HD1 PHE 74 -5.019 -7.034 -2.656 596 HD2 PHE 74 HD2 PHE 74 -5.491 -3.810 0.125 597 HE1 PHE 74 HE1 PHE 74 -6.891 -6.148 -3.987 598 HE2 PHE 74 HE2 PHE 74 -7.357 -2.927 -1.217 599 HZ PHE 74 HZ PHE 74 -8.060 -4.099 -3.274 600 H LYS 75 H LYS 75 -2.376 -8.898 0.153 601 HA LYS 75 HA LYS 75 -0.808 -8.182 2.511 602 HB2 LYS 75 HB2 LYS 75 -0.717 -10.477 3.417 603 HB3 LYS 75 HB3 LYS 75 -2.365 -9.858 3.436 604 HG2 LYS 75 HG2 LYS 75 -2.920 -11.186 1.444 605 HG3 LYS 75 HG3 LYS 75 -1.255 -11.777 1.356 606 HD2 LYS 75 HD2 LYS 75 -1.554 -12.816 3.622 607 HD3 LYS 75 HD3 LYS 75 -3.243 -12.306 3.603 608 HE2 LYS 75 HE2 LYS 75 -3.678 -13.726 1.665 609 HE3 LYS 75 HE3 LYS 75 -1.975 -14.166 1.568 610 HZ1 LYS 75 HZ1 LYS 75 -3.215 -15.902 2.630 611 HZ2 LYS 75 HZ2 LYS 75 -3.839 -14.830 3.779 612 HZ3 LYS 75 HZ3 LYS 75 -2.187 -15.186 3.768 613 H LEU 76 H LEU 76 1.294 -9.563 2.562 614 HA LEU 76 HA LEU 76 2.568 -9.410 -0.003 615 HB2 LEU 76 HB2 LEU 76 3.574 -10.589 2.618 616 HB3 LEU 76 HB3 LEU 76 4.574 -10.295 1.203 617 HG LEU 76 HG LEU 76 3.185 -8.148 2.865 618 HD11 LEU 76 HD11 LEU 76 6.132 -8.832 2.674 619 HD12 LEU 76 HD12 LEU 76 5.079 -9.125 4.059 620 HD13 LEU 76 HD13 LEU 76 5.440 -7.472 3.566 621 HD21 LEU 76 HD21 LEU 76 3.300 -7.448 0.524 622 HD22 LEU 76 HD22 LEU 76 5.026 -7.816 0.472 623 HD23 LEU 76 HD23 LEU 76 4.428 -6.513 1.501 624 H ASN 77 H ASN 77 2.952 -11.020 -1.505 625 HA ASN 77 HA ASN 77 1.463 -13.483 -1.238 626 HB2 ASN 77 HB2 ASN 77 1.662 -12.051 -3.375 627 HB3 ASN 77 HB3 ASN 77 3.268 -12.738 -3.581 628 HD21 ASN 77 HD21 ASN 77 1.061 -12.994 -5.370 629 HD22 ASN 77 HD22 ASN 77 0.675 -14.670 -5.486 630 H ARG 78 H ARG 78 2.534 -14.640 0.372 631 HA ARG 78 HA ARG 78 5.245 -15.534 0.239 632 HB2 ARG 78 HB2 ARG 78 4.114 -15.508 2.368 633 HB3 ARG 78 HB3 ARG 78 2.796 -16.496 1.773 634 HG2 ARG 78 HG2 ARG 78 5.549 -17.714 1.828 635 HG3 ARG 78 HG3 ARG 78 4.715 -17.487 3.362 636 HD2 ARG 78 HD2 ARG 78 2.853 -18.863 2.610 637 HD3 ARG 78 HD3 ARG 78 3.553 -18.995 0.994 638 HE ARG 78 HE ARG 78 5.273 -19.992 3.076 639 HH11 ARG 78 HH11 ARG 78 2.634 -20.889 1.005 640 HH12 ARG 78 HH12 ARG 78 3.034 -22.564 1.070 641 HH21 ARG 78 HH21 ARG 78 5.742 -22.138 3.119 642 HH22 ARG 78 HH22 ARG 78 4.768 -23.261 2.236 643 H LYS 79 H LYS 79 2.204 -16.772 -1.050 644 HA LYS 79 HA LYS 79 3.399 -19.331 -1.926 645 HB2 LYS 79 HB2 LYS 79 1.068 -20.006 -2.372 646 HB3 LYS 79 HB3 LYS 79 1.244 -19.390 -0.732 647 HG2 LYS 79 HG2 LYS 79 0.276 -17.247 -1.398 648 HG3 LYS 79 HG3 LYS 79 0.143 -17.787 -3.065 649 HD2 LYS 79 HD2 LYS 79 -1.317 -19.050 -0.712 650 HD3 LYS 79 HD3 LYS 79 -2.030 -17.908 -1.853 651 HE2 LYS 79 HE2 LYS 79 -1.634 -19.506 -3.697 652 HE3 LYS 79 HE3 LYS 79 -0.923 -20.653 -2.558 653 HZ1 LYS 79 HZ1 LYS 79 -3.068 -20.708 -1.395 654 HZ2 LYS 79 HZ2 LYS 79 -3.189 -21.231 -2.998 655 HZ3 LYS 79 HZ3 LYS 79 -3.729 -19.688 -2.571 656 H LYS 80 H LYS 80 4.038 -16.709 -3.296 657 HA LYS 80 HA LYS 80 2.993 -16.707 -5.914 658 HB2 LYS 80 HB2 LYS 80 4.324 -14.848 -5.031 659 HB3 LYS 80 HB3 LYS 80 5.739 -15.877 -4.897 660 HG2 LYS 80 HG2 LYS 80 5.880 -14.328 -6.813 661 HG3 LYS 80 HG3 LYS 80 5.936 -16.016 -7.321 662 HD2 LYS 80 HD2 LYS 80 3.598 -15.920 -8.037 663 HD3 LYS 80 HD3 LYS 80 3.441 -14.276 -7.413 664 HE2 LYS 80 HE2 LYS 80 5.331 -15.078 -9.655 665 HE3 LYS 80 HE3 LYS 80 3.724 -14.394 -9.901 666 HZ1 LYS 80 HZ1 LYS 80 5.430 -12.708 -10.057 667 HZ2 LYS 80 HZ2 LYS 80 5.967 -13.053 -8.490 668 HZ3 LYS 80 HZ3 LYS 80 4.423 -12.407 -8.735 669 H LEU 81 H LEU 81 5.243 -18.828 -4.354 670 HA LEU 81 HA LEU 81 6.329 -20.230 -6.579 671 HB2 LEU 81 HB2 LEU 81 5.759 -21.086 -3.714 672 HB3 LEU 81 HB3 LEU 81 6.611 -22.106 -4.858 673 HG LEU 81 HG LEU 81 7.582 -19.370 -3.927 674 HD11 LEU 81 HD11 LEU 81 9.295 -20.575 -2.642 675 HD12 LEU 81 HD12 LEU 81 8.567 -22.118 -3.099 676 HD13 LEU 81 HD13 LEU 81 7.672 -20.984 -2.086 677 HD21 LEU 81 HD21 LEU 81 8.994 -21.457 -5.630 678 HD22 LEU 81 HD22 LEU 81 9.708 -19.959 -5.028 679 HD23 LEU 81 HD23 LEU 81 8.386 -19.896 -6.189 680 H GLU 82 H GLU 82 3.305 -20.564 -4.791 681 HA GLU 82 HA GLU 82 2.396 -22.937 -6.210 682 HB2 GLU 82 HB2 GLU 82 0.975 -21.191 -4.157 683 HB3 GLU 82 HB3 GLU 82 0.379 -22.737 -4.759 684 HG2 GLU 82 HG2 GLU 82 2.295 -23.899 -3.758 685 HG3 GLU 82 HG3 GLU 82 2.971 -22.366 -3.219 686 H GLY 83 H GLY 83 2.096 -19.490 -6.603 687 HA2 GLY 83 HA2 GLY 83 0.728 -19.672 -9.096 688 HA3 GLY 83 HA3 GLY 83 -0.410 -19.203 -7.842 Start of MODEL 7 1 H1 SER 1 H1 SER 1 6.588 -0.833 -17.600 2 H2 SER 1 H2 SER 1 7.425 -2.264 -17.923 3 H3 SER 1 H3 SER 1 6.597 -1.474 -19.166 4 HA SER 1 HA SER 1 8.977 -1.121 -19.319 5 HB2 SER 1 HB2 SER 1 7.477 0.618 -20.202 6 HB3 SER 1 HB3 SER 1 7.366 1.371 -18.611 7 HG SER 1 HG SER 1 8.890 2.420 -19.967 8 H HIS 2 H HIS 2 10.545 -1.715 -17.869 9 HA HIS 2 HA HIS 2 10.715 -0.419 -15.230 10 HB2 HIS 2 HB2 HIS 2 12.230 -2.783 -16.413 11 HB3 HIS 2 HB3 HIS 2 12.571 -2.103 -14.824 12 HD1 HIS 2 HD1 HIS 2 9.739 -1.723 -13.741 13 HD2 HIS 2 HD2 HIS 2 10.977 -5.137 -15.768 14 HE1 HIS 2 HE1 HIS 2 8.175 -3.539 -13.015 15 HE2 HIS 2 HE2 HIS 2 9.026 -5.616 -14.141 16 H MET 3 H MET 3 11.493 1.598 -15.529 17 HA MET 3 HA MET 3 14.318 1.924 -16.192 18 HB2 MET 3 HB2 MET 3 13.933 3.726 -17.847 19 HB3 MET 3 HB3 MET 3 13.224 2.216 -18.395 20 HG2 MET 3 HG2 MET 3 10.992 3.014 -17.698 21 HG3 MET 3 HG3 MET 3 11.712 4.535 -17.166 22 HE1 MET 3 HE1 MET 3 9.820 5.692 -20.386 23 HE2 MET 3 HE2 MET 3 10.153 6.053 -18.693 24 HE3 MET 3 HE3 MET 3 9.286 4.578 -19.130 25 H GLN 4 H GLN 4 12.171 2.320 -13.959 26 HA GLN 4 HA GLN 4 13.190 4.843 -12.881 27 HB2 GLN 4 HB2 GLN 4 10.936 5.796 -12.484 28 HB3 GLN 4 HB3 GLN 4 11.229 5.587 -14.209 29 HG2 GLN 4 HG2 GLN 4 9.823 3.608 -14.271 30 HG3 GLN 4 HG3 GLN 4 9.630 3.632 -12.519 31 HE21 GLN 4 HE21 GLN 4 8.285 5.233 -11.585 32 HE22 GLN 4 HE22 GLN 4 7.099 6.067 -12.526 33 HA PRO 5 HA PRO 5 12.219 2.588 -8.987 34 HB2 PRO 5 HB2 PRO 5 12.242 5.175 -7.541 35 HB3 PRO 5 HB3 PRO 5 13.353 3.810 -7.394 36 HG2 PRO 5 HG2 PRO 5 14.109 6.165 -8.514 37 HG3 PRO 5 HG3 PRO 5 14.769 4.607 -9.056 38 HD2 PRO 5 HD2 PRO 5 12.558 6.262 -10.300 39 HD3 PRO 5 HD3 PRO 5 13.945 5.466 -11.086 40 H GLY 6 H GLY 6 10.519 2.503 -7.350 41 HA2 GLY 6 HA2 GLY 6 8.162 4.257 -7.600 42 HA3 GLY 6 HA3 GLY 6 7.935 2.547 -7.972 43 H LYS 7 H LYS 7 9.160 4.726 -5.426 44 HA LYS 7 HA LYS 7 9.489 2.668 -3.492 45 HB2 LYS 7 HB2 LYS 7 10.804 4.837 -3.611 46 HB3 LYS 7 HB3 LYS 7 9.402 5.655 -2.931 47 HG2 LYS 7 HG2 LYS 7 9.566 4.250 -0.898 48 HG3 LYS 7 HG3 LYS 7 10.959 3.411 -1.587 49 HD2 LYS 7 HD2 LYS 7 12.255 5.510 -1.556 50 HD3 LYS 7 HD3 LYS 7 10.850 6.382 -0.930 51 HE2 LYS 7 HE2 LYS 7 10.905 4.984 1.117 52 HE3 LYS 7 HE3 LYS 7 12.315 4.128 0.491 53 HZ1 LYS 7 HZ1 LYS 7 12.921 5.840 2.078 54 HZ2 LYS 7 HZ2 LYS 7 12.200 7.026 1.111 55 HZ3 LYS 7 HZ3 LYS 7 13.550 6.184 0.546 56 H TYR 8 H TYR 8 6.622 4.430 -4.385 57 HA TYR 8 HA TYR 8 5.170 4.140 -1.931 58 HB2 TYR 8 HB2 TYR 8 4.221 4.463 -4.803 59 HB3 TYR 8 HB3 TYR 8 3.082 4.236 -3.482 60 HD1 TYR 8 HD1 TYR 8 3.071 5.962 -1.564 61 HD2 TYR 8 HD2 TYR 8 5.117 6.649 -5.250 62 HE1 TYR 8 HE1 TYR 8 3.111 8.377 -1.096 63 HE2 TYR 8 HE2 TYR 8 5.158 9.060 -4.779 64 HH TYR 8 HH TYR 8 4.658 10.367 -1.824 65 H SER 9 H SER 9 5.773 1.892 -4.635 66 HA SER 9 HA SER 9 4.017 -0.184 -3.711 67 HB2 SER 9 HB2 SER 9 5.091 -1.649 -5.310 68 HB3 SER 9 HB3 SER 9 4.976 -0.059 -6.059 69 HG SER 9 HG SER 9 7.080 0.061 -6.111 70 H GLN 10 H GLN 10 7.456 0.531 -3.160 71 HA GLN 10 HA GLN 10 8.183 -1.664 -1.523 72 HB2 GLN 10 HB2 GLN 10 9.197 1.213 -1.397 73 HB3 GLN 10 HB3 GLN 10 9.998 -0.178 -0.671 74 HG2 GLN 10 HG2 GLN 10 10.460 -1.111 -2.881 75 HG3 GLN 10 HG3 GLN 10 9.557 0.195 -3.651 76 HE21 GLN 10 HE21 GLN 10 11.755 0.675 -0.912 77 HE22 GLN 10 HE22 GLN 10 12.931 1.573 -1.791 78 H LEU 11 H LEU 11 6.830 1.504 -0.771 79 HA LEU 11 HA LEU 11 6.739 1.482 2.007 80 HB2 LEU 11 HB2 LEU 11 6.361 3.474 0.627 81 HB3 LEU 11 HB3 LEU 11 4.890 2.781 -0.027 82 HG LEU 11 HG LEU 11 3.824 2.959 2.229 83 HD11 LEU 11 HD11 LEU 11 6.373 4.390 3.051 84 HD12 LEU 11 HD12 LEU 11 5.803 2.832 3.662 85 HD13 LEU 11 HD13 LEU 11 4.885 4.297 3.997 86 HD21 LEU 11 HD21 LEU 11 4.929 5.587 1.172 87 HD22 LEU 11 HD22 LEU 11 3.495 5.390 2.181 88 HD23 LEU 11 HD23 LEU 11 3.512 4.741 0.544 89 H VAL 12 H VAL 12 4.298 0.323 -0.328 90 HA VAL 12 HA VAL 12 2.333 -0.567 1.511 91 HB VAL 12 HB VAL 12 2.935 -1.498 -1.335 92 HG11 VAL 12 HG11 VAL 12 0.657 -2.488 -1.361 93 HG12 VAL 12 HG12 VAL 12 0.485 -2.128 0.359 94 HG13 VAL 12 HG13 VAL 12 1.703 -3.284 -0.187 95 HG21 VAL 12 HG21 VAL 12 0.811 0.416 -0.282 96 HG22 VAL 12 HG22 VAL 12 1.011 -0.072 -1.967 97 HG23 VAL 12 HG23 VAL 12 2.265 0.874 -1.167 98 H VAL 13 H VAL 13 4.946 -2.398 -0.129 99 HA VAL 13 HA VAL 13 4.476 -4.952 0.929 100 HB VAL 13 HB VAL 13 7.110 -3.692 0.026 101 HG11 VAL 13 HG11 VAL 13 6.547 -6.645 0.535 102 HG12 VAL 13 HG12 VAL 13 7.645 -5.619 1.460 103 HG13 VAL 13 HG13 VAL 13 8.006 -5.999 -0.223 104 HG21 VAL 13 HG21 VAL 13 5.380 -3.820 -1.742 105 HG22 VAL 13 HG22 VAL 13 5.196 -5.550 -1.454 106 HG23 VAL 13 HG23 VAL 13 6.716 -4.920 -2.091 107 H GLU 14 H GLU 14 6.472 -2.322 2.226 108 HA GLU 14 HA GLU 14 7.397 -3.664 4.565 109 HB2 GLU 14 HB2 GLU 14 7.267 -0.723 3.807 110 HB3 GLU 14 HB3 GLU 14 7.934 -1.268 5.341 111 HG2 GLU 14 HG2 GLU 14 8.985 -2.161 2.634 112 HG3 GLU 14 HG3 GLU 14 9.629 -0.791 3.537 113 H THR 15 H THR 15 4.624 -1.478 3.968 114 HA THR 15 HA THR 15 3.766 -1.123 6.627 115 HB THR 15 HB THR 15 2.173 -1.010 4.038 116 HG1 THR 15 HG1 THR 15 3.103 0.880 3.943 117 HG21 THR 15 HG21 THR 15 1.276 -0.096 6.795 118 HG22 THR 15 HG22 THR 15 0.568 -1.419 5.867 119 HG23 THR 15 HG23 THR 15 0.432 0.241 5.282 120 H ILE 16 H ILE 16 2.575 -3.468 4.185 121 HA ILE 16 HA ILE 16 0.716 -4.844 5.804 122 HB ILE 16 HB ILE 16 2.274 -5.908 3.401 123 HG12 ILE 16 HG12 ILE 16 -0.477 -4.573 3.506 124 HG13 ILE 16 HG13 ILE 16 0.990 -3.838 2.871 125 HG21 ILE 16 HG21 ILE 16 -0.317 -6.970 4.602 126 HG22 ILE 16 HG22 ILE 16 1.260 -7.759 4.679 127 HG23 ILE 16 HG23 ILE 16 0.455 -7.558 3.126 128 HD11 ILE 16 HD11 ILE 16 -0.455 -6.228 1.715 129 HD12 ILE 16 HD12 ILE 16 1.036 -5.526 1.078 130 HD13 ILE 16 HD13 ILE 16 -0.453 -4.582 1.084 131 H ARG 17 H ARG 17 4.152 -5.444 5.177 132 HA ARG 17 HA ARG 17 4.534 -7.863 6.560 133 HB2 ARG 17 HB2 ARG 17 6.140 -6.986 4.960 134 HB3 ARG 17 HB3 ARG 17 6.432 -5.568 5.955 135 HG2 ARG 17 HG2 ARG 17 7.608 -6.877 7.610 136 HG3 ARG 17 HG3 ARG 17 7.132 -8.390 6.828 137 HD2 ARG 17 HD2 ARG 17 8.909 -6.262 5.559 138 HD3 ARG 17 HD3 ARG 17 9.493 -7.738 6.335 139 HE ARG 17 HE ARG 17 8.064 -8.930 4.599 140 HH11 ARG 17 HH11 ARG 17 9.559 -5.887 3.878 141 HH12 ARG 17 HH12 ARG 17 9.713 -6.278 2.201 142 HH21 ARG 17 HH21 ARG 17 8.268 -9.362 2.452 143 HH22 ARG 17 HH22 ARG 17 9.011 -8.200 1.412 144 H ARG 18 H ARG 18 4.765 -4.502 7.714 145 HA ARG 18 HA ARG 18 5.650 -5.101 10.369 146 HB2 ARG 18 HB2 ARG 18 4.433 -2.611 9.118 147 HB3 ARG 18 HB3 ARG 18 4.937 -2.666 10.806 148 HG2 ARG 18 HG2 ARG 18 6.772 -3.182 8.441 149 HG3 ARG 18 HG3 ARG 18 6.633 -1.641 9.296 150 HD2 ARG 18 HD2 ARG 18 7.433 -2.670 11.364 151 HD3 ARG 18 HD3 ARG 18 7.457 -4.260 10.598 152 HE ARG 18 HE ARG 18 9.265 -3.498 9.191 153 HH11 ARG 18 HH11 ARG 18 8.595 -1.374 11.843 154 HH12 ARG 18 HH12 ARG 18 10.228 -0.819 11.938 155 HH21 ARG 18 HH21 ARG 18 11.329 -2.799 9.346 156 HH22 ARG 18 HH22 ARG 18 11.758 -1.626 10.539 157 H LEU 19 H LEU 19 2.451 -4.611 8.926 158 HA LEU 19 HA LEU 19 0.971 -4.497 11.358 159 HB2 LEU 19 HB2 LEU 19 0.042 -5.240 8.549 160 HB3 LEU 19 HB3 LEU 19 -1.016 -4.922 9.914 161 HG LEU 19 HG LEU 19 0.885 -2.857 8.748 162 HD11 LEU 19 HD11 LEU 19 -1.111 -1.769 7.797 163 HD12 LEU 19 HD12 LEU 19 -2.106 -3.131 8.319 164 HD13 LEU 19 HD13 LEU 19 -0.845 -3.368 7.107 165 HD21 LEU 19 HD21 LEU 19 -0.369 -1.260 10.137 166 HD22 LEU 19 HD22 LEU 19 0.421 -2.483 11.122 167 HD23 LEU 19 HD23 LEU 19 -1.317 -2.580 10.822 168 H GLY 20 H GLY 20 1.570 -7.156 9.041 169 HA2 GLY 20 HA2 GLY 20 1.152 -9.414 9.109 170 HA3 GLY 20 HA3 GLY 20 1.416 -9.302 10.842 171 H GLU 21 H GLU 21 -1.127 -7.657 9.035 172 HA GLU 21 HA GLU 21 -3.243 -8.266 10.753 173 HB2 GLU 21 HB2 GLU 21 -3.233 -7.414 7.838 174 HB3 GLU 21 HB3 GLU 21 -4.708 -7.501 8.795 175 HG2 GLU 21 HG2 GLU 21 -2.346 -5.675 9.258 176 HG3 GLU 21 HG3 GLU 21 -3.894 -5.215 8.575 177 H ARG 22 H ARG 22 -4.916 -9.740 10.699 178 HA ARG 22 HA ARG 22 -4.433 -12.375 10.051 179 HB2 ARG 22 HB2 ARG 22 -6.847 -12.767 10.552 180 HB3 ARG 22 HB3 ARG 22 -6.061 -11.735 11.743 181 HG2 ARG 22 HG2 ARG 22 -7.082 -9.742 10.690 182 HG3 ARG 22 HG3 ARG 22 -7.856 -10.780 9.488 183 HD2 ARG 22 HD2 ARG 22 -9.139 -11.891 11.295 184 HD3 ARG 22 HD3 ARG 22 -8.391 -10.810 12.477 185 HE ARG 22 HE ARG 22 -9.435 -8.962 11.031 186 HH11 ARG 22 HH11 ARG 22 -10.952 -12.026 11.547 187 HH12 ARG 22 HH12 ARG 22 -12.540 -11.393 11.314 188 HH21 ARG 22 HH21 ARG 22 -11.458 -8.176 10.748 189 HH22 ARG 22 HH22 ARG 22 -12.824 -9.232 10.858 190 H ASN 23 H ASN 23 -4.053 -13.160 8.067 191 HA ASN 23 HA ASN 23 -4.343 -13.954 5.966 192 HB2 ASN 23 HB2 ASN 23 -7.249 -13.149 6.379 193 HB3 ASN 23 HB3 ASN 23 -6.676 -14.189 5.080 194 HD21 ASN 23 HD21 ASN 23 -8.208 -15.722 5.898 195 HD22 ASN 23 HD22 ASN 23 -7.821 -16.705 7.258 196 H GLY 24 H GLY 24 -4.318 -10.737 6.493 197 HA2 GLY 24 HA2 GLY 24 -3.549 -9.546 4.309 198 HA3 GLY 24 HA3 GLY 24 -5.219 -9.810 3.839 199 H SER 25 H SER 25 -3.636 -7.316 4.328 200 HA SER 25 HA SER 25 -5.117 -5.978 6.507 201 HB2 SER 25 HB2 SER 25 -3.426 -4.122 6.129 202 HB3 SER 25 HB3 SER 25 -2.711 -5.655 6.615 203 HG SER 25 HG SER 25 -2.937 -5.284 3.888 204 H SER 26 H SER 26 -6.826 -4.658 6.008 205 HA SER 26 HA SER 26 -7.697 -4.214 3.328 206 HB2 SER 26 HB2 SER 26 -9.305 -4.359 5.175 207 HB3 SER 26 HB3 SER 26 -8.656 -2.886 5.893 208 HG SER 26 HG SER 26 -10.133 -3.203 3.501 209 H LEU 27 H LEU 27 -7.974 -2.232 2.178 210 HA LEU 27 HA LEU 27 -5.671 -0.728 1.802 211 HB2 LEU 27 HB2 LEU 27 -7.438 -0.999 0.105 212 HB3 LEU 27 HB3 LEU 27 -8.534 -0.018 1.059 213 HG LEU 27 HG LEU 27 -7.105 1.985 0.658 214 HD11 LEU 27 HD11 LEU 27 -5.413 0.177 -1.093 215 HD12 LEU 27 HD12 LEU 27 -4.914 0.935 0.422 216 HD13 LEU 27 HD13 LEU 27 -5.276 1.935 -0.983 217 HD21 LEU 27 HD21 LEU 27 -8.971 1.539 -0.881 218 HD22 LEU 27 HD22 LEU 27 -7.909 0.573 -1.910 219 HD23 LEU 27 HD23 LEU 27 -7.625 2.305 -1.724 220 H ALA 28 H ALA 28 -8.397 0.000 3.931 221 HA ALA 28 HA ALA 28 -7.751 2.694 4.591 222 HB1 ALA 28 HB1 ALA 28 -9.968 1.709 5.020 223 HB2 ALA 28 HB2 ALA 28 -9.280 2.386 6.497 224 HB3 ALA 28 HB3 ALA 28 -9.268 0.641 6.239 225 H LYS 29 H LYS 29 -6.940 -0.399 6.223 226 HA LYS 29 HA LYS 29 -5.444 0.727 8.380 227 HB2 LYS 29 HB2 LYS 29 -6.520 -1.538 8.430 228 HB3 LYS 29 HB3 LYS 29 -5.343 -2.113 7.262 229 HG2 LYS 29 HG2 LYS 29 -4.813 -2.845 9.561 230 HG3 LYS 29 HG3 LYS 29 -3.533 -1.831 8.888 231 HD2 LYS 29 HD2 LYS 29 -4.285 0.083 10.206 232 HD3 LYS 29 HD3 LYS 29 -5.702 -0.810 10.768 233 HE2 LYS 29 HE2 LYS 29 -2.831 -1.591 11.393 234 HE3 LYS 29 HE3 LYS 29 -3.867 -0.652 12.467 235 HZ1 LYS 29 HZ1 LYS 29 -3.847 -2.997 13.057 236 HZ2 LYS 29 HZ2 LYS 29 -4.436 -3.414 11.527 237 HZ3 LYS 29 HZ3 LYS 29 -5.394 -2.508 12.581 238 H ILE 30 H ILE 30 -4.526 -0.516 5.177 239 HA ILE 30 HA ILE 30 -1.711 -0.320 5.395 240 HB ILE 30 HB ILE 30 -3.456 -0.013 2.902 241 HG12 ILE 30 HG12 ILE 30 -2.004 -2.467 4.003 242 HG13 ILE 30 HG13 ILE 30 -3.743 -2.201 4.057 243 HG21 ILE 30 HG21 ILE 30 -0.460 -0.557 3.047 244 HG22 ILE 30 HG22 ILE 30 -1.217 0.929 2.470 245 HG23 ILE 30 HG23 ILE 30 -1.435 -0.572 1.573 246 HD11 ILE 30 HD11 ILE 30 -3.812 -2.297 1.596 247 HD12 ILE 30 HD12 ILE 30 -3.165 -3.770 2.317 248 HD13 ILE 30 HD13 ILE 30 -2.072 -2.604 1.574 249 H TYR 31 H TYR 31 -4.138 2.010 4.183 250 HA TYR 31 HA TYR 31 -2.486 4.138 3.472 251 HB2 TYR 31 HB2 TYR 31 -4.868 4.048 2.862 252 HB3 TYR 31 HB3 TYR 31 -5.337 4.207 4.551 253 HD1 TYR 31 HD2 TYR 31 -3.380 6.031 1.911 254 HD2 TYR 31 HD1 TYR 31 -5.875 6.387 5.358 255 HE1 TYR 31 HE2 TYR 31 -3.433 8.461 1.620 256 HE2 TYR 31 HE1 TYR 31 -5.908 8.829 5.075 257 HH TYR 31 HH TYR 31 -4.539 10.591 4.020 258 H THR 32 H THR 32 -4.044 3.473 6.593 259 HA THR 32 HA THR 32 -3.412 5.760 8.043 260 HB THR 32 HB THR 32 -3.552 2.918 9.165 261 HG1 THR 32 HG1 THR 32 -5.540 3.048 8.483 262 HG21 THR 32 HG21 THR 32 -4.325 3.990 11.256 263 HG22 THR 32 HG22 THR 32 -4.126 5.584 10.528 264 HG23 THR 32 HG23 THR 32 -2.713 4.572 10.827 265 H GLU 33 H GLU 33 -1.430 2.852 7.539 266 HA GLU 33 HA GLU 33 0.723 3.871 9.263 267 HB2 GLU 33 HB2 GLU 33 0.374 1.165 7.913 268 HB3 GLU 33 HB3 GLU 33 1.648 1.581 9.060 269 HG2 GLU 33 HG2 GLU 33 -1.332 1.529 9.662 270 HG3 GLU 33 HG3 GLU 33 -0.174 0.277 10.099 271 H ALA 34 H ALA 34 -0.017 3.743 5.914 272 HA ALA 34 HA ALA 34 2.767 3.878 5.004 273 HB1 ALA 34 HB1 ALA 34 1.130 2.629 3.669 274 HB2 ALA 34 HB2 ALA 34 1.804 3.973 2.747 275 HB3 ALA 34 HB3 ALA 34 0.182 4.098 3.433 276 H LYS 35 H LYS 35 0.120 6.099 5.706 277 HA LYS 35 HA LYS 35 1.114 8.331 4.188 278 HB2 LYS 35 HB2 LYS 35 -0.654 9.646 5.229 279 HB3 LYS 35 HB3 LYS 35 -1.293 8.084 4.729 280 HG2 LYS 35 HG2 LYS 35 -1.234 7.276 7.039 281 HG3 LYS 35 HG3 LYS 35 -0.487 8.784 7.571 282 HD2 LYS 35 HD2 LYS 35 -2.526 10.030 6.866 283 HD3 LYS 35 HD3 LYS 35 -3.280 8.506 6.385 284 HE2 LYS 35 HE2 LYS 35 -3.204 7.715 8.710 285 HE3 LYS 35 HE3 LYS 35 -2.376 9.192 9.206 286 HZ1 LYS 35 HZ1 LYS 35 -4.326 10.458 8.586 287 HZ2 LYS 35 HZ2 LYS 35 -4.739 9.260 9.705 288 HZ3 LYS 35 HZ3 LYS 35 -5.114 9.054 8.070 289 H LYS 36 H LYS 36 2.347 7.006 7.009 290 HA LYS 36 HA LYS 36 2.910 9.173 8.705 291 HB2 LYS 36 HB2 LYS 36 4.677 6.738 8.240 292 HB3 LYS 36 HB3 LYS 36 4.728 7.801 9.641 293 HG2 LYS 36 HG2 LYS 36 2.433 7.031 10.267 294 HG3 LYS 36 HG3 LYS 36 2.463 5.919 8.890 295 HD2 LYS 36 HD2 LYS 36 4.553 4.873 9.878 296 HD3 LYS 36 HD3 LYS 36 4.328 5.892 11.301 297 HE2 LYS 36 HE2 LYS 36 2.419 3.752 10.303 298 HE3 LYS 36 HE3 LYS 36 3.480 3.630 11.700 299 HZ1 LYS 36 HZ1 LYS 36 1.183 4.129 12.296 300 HZ2 LYS 36 HZ2 LYS 36 1.261 5.581 11.432 301 HZ3 LYS 36 HZ3 LYS 36 2.240 5.356 12.792 302 H VAL 37 H VAL 37 4.807 7.881 5.984 303 HA VAL 37 HA VAL 37 7.195 9.279 6.382 304 HB VAL 37 HB VAL 37 7.483 8.895 3.754 305 HG11 VAL 37 HG11 VAL 37 8.705 7.672 5.455 306 HG12 VAL 37 HG12 VAL 37 8.195 6.600 4.155 307 HG13 VAL 37 HG13 VAL 37 7.337 6.579 5.700 308 HG21 VAL 37 HG21 VAL 37 5.123 8.433 3.261 309 HG22 VAL 37 HG22 VAL 37 5.144 7.044 4.340 310 HG23 VAL 37 HG23 VAL 37 6.132 7.043 2.875 311 HA PRO 38 HA PRO 38 6.289 13.444 4.990 312 HB2 PRO 38 HB2 PRO 38 8.817 14.441 4.799 313 HB3 PRO 38 HB3 PRO 38 8.062 14.070 6.355 314 HG2 PRO 38 HG2 PRO 38 10.021 12.421 4.760 315 HG3 PRO 38 HG3 PRO 38 10.017 12.776 6.503 316 HD2 PRO 38 HD2 PRO 38 9.061 10.428 5.467 317 HD3 PRO 38 HD3 PRO 38 8.421 11.148 6.959 318 H TRP 39 H TRP 39 8.132 11.191 2.995 319 HA TRP 39 HA TRP 39 8.024 12.939 0.636 320 HB2 TRP 39 HB2 TRP 39 8.974 10.999 -0.620 321 HB3 TRP 39 HB3 TRP 39 9.956 11.475 0.754 322 HD1 TRP 39 HD1 TRP 39 10.307 9.679 2.693 323 HE1 TRP 39 HE1 TRP 39 9.804 7.167 2.862 324 HE3 TRP 39 HE3 TRP 39 7.239 9.162 -1.384 325 HZ2 TRP 39 HZ2 TRP 39 8.295 5.229 1.492 326 HZ3 TRP 39 HZ3 TRP 39 6.314 6.937 -1.879 327 HH2 TRP 39 HH2 TRP 39 6.833 5.014 -0.473 328 H PHE 40 H PHE 40 5.910 10.718 2.199 329 HA PHE 40 HA PHE 40 4.195 9.955 0.085 330 HB2 PHE 40 HB2 PHE 40 4.097 9.123 2.471 331 HB3 PHE 40 HB3 PHE 40 3.358 10.642 2.941 332 HD1 PHE 40 HD2 PHE 40 2.886 7.482 1.130 333 HD2 PHE 40 HD1 PHE 40 0.987 11.087 2.410 334 HE1 PHE 40 HE2 PHE 40 0.686 6.515 0.622 335 HE2 PHE 40 HE1 PHE 40 -1.213 10.109 1.901 336 HZ PHE 40 HZ PHE 40 -1.366 7.820 1.004 337 H ASP 41 H ASP 41 2.879 11.116 -1.195 338 HA ASP 41 HA ASP 41 2.228 13.909 -0.676 339 HB2 ASP 41 HB2 ASP 41 2.786 13.219 -2.965 340 HB3 ASP 41 HB3 ASP 41 1.496 12.018 -2.956 341 H GLN 42 H GLN 42 0.506 14.404 0.635 342 HA GLN 42 HA GLN 42 -1.484 12.460 1.386 343 HB2 GLN 42 HB2 GLN 42 -1.285 15.435 2.006 344 HB3 GLN 42 HB3 GLN 42 -2.446 14.338 2.747 345 HG2 GLN 42 HG2 GLN 42 0.573 14.099 2.998 346 HG3 GLN 42 HG3 GLN 42 -0.485 14.837 4.197 347 HE21 GLN 42 HE21 GLN 42 1.302 12.546 4.466 348 HE22 GLN 42 HE22 GLN 42 0.328 11.232 4.999 349 H GLN 43 H GLN 43 -1.282 14.578 -1.283 350 HA GLN 43 HA GLN 43 -4.134 15.105 -1.574 351 HB2 GLN 43 HB2 GLN 43 -1.869 15.658 -3.541 352 HB3 GLN 43 HB3 GLN 43 -3.496 16.326 -3.608 353 HG2 GLN 43 HG2 GLN 43 -1.528 16.866 -1.360 354 HG3 GLN 43 HG3 GLN 43 -1.719 17.904 -2.769 355 HE21 GLN 43 HE21 GLN 43 -2.349 19.688 -1.544 356 HE22 GLN 43 HE22 GLN 43 -3.870 19.793 -0.738 357 H ASN 44 H ASN 44 -1.704 13.457 -3.659 358 HA ASN 44 HA ASN 44 -3.838 11.781 -4.869 359 HB2 ASN 44 HB2 ASN 44 -1.169 12.656 -6.052 360 HB3 ASN 44 HB3 ASN 44 -2.327 11.603 -6.857 361 HD21 ASN 44 HD21 ASN 44 -4.687 13.094 -6.032 362 HD22 ASN 44 HD22 ASN 44 -4.674 14.555 -6.943 363 H GLY 45 H GLY 45 -1.278 11.538 -2.692 364 HA2 GLY 45 HA2 GLY 45 0.014 9.117 -3.455 365 HA3 GLY 45 HA3 GLY 45 0.004 9.827 -1.855 366 H ARG 46 H ARG 46 -2.984 9.699 -1.758 367 HA ARG 46 HA ARG 46 -3.451 7.126 -0.656 368 HB2 ARG 46 HB2 ARG 46 -4.728 9.235 -0.138 369 HB3 ARG 46 HB3 ARG 46 -5.492 9.142 -1.713 370 HG2 ARG 46 HG2 ARG 46 -5.800 6.894 0.290 371 HG3 ARG 46 HG3 ARG 46 -6.788 8.348 0.410 372 HD2 ARG 46 HD2 ARG 46 -6.684 6.424 -1.935 373 HD3 ARG 46 HD3 ARG 46 -8.000 6.606 -0.772 374 HE ARG 46 HE ARG 46 -7.932 9.060 -1.727 375 HH11 ARG 46 HH11 ARG 46 -7.765 6.115 -3.568 376 HH12 ARG 46 HH12 ARG 46 -8.435 6.857 -4.976 377 HH21 ARG 46 HH21 ARG 46 -8.795 9.944 -3.518 378 HH22 ARG 46 HH22 ARG 46 -9.021 8.989 -4.943 379 H THR 47 H THR 47 -4.206 8.530 -3.826 380 HA THR 47 HA THR 47 -5.245 6.164 -5.061 381 HB THR 47 HB THR 47 -4.077 8.680 -6.353 382 HG1 THR 47 HG1 THR 47 -6.435 9.078 -6.632 383 HG21 THR 47 HG21 THR 47 -5.849 6.538 -7.600 384 HG22 THR 47 HG22 THR 47 -4.151 6.821 -7.990 385 HG23 THR 47 HG23 THR 47 -5.363 8.045 -8.371 386 H TYR 48 H TYR 48 -1.972 7.550 -4.742 387 HA TYR 48 HA TYR 48 -0.662 5.790 -6.565 388 HB2 TYR 48 HB2 TYR 48 0.499 7.328 -4.208 389 HB3 TYR 48 HB3 TYR 48 1.470 6.460 -5.395 390 HD1 TYR 48 HD1 TYR 48 -0.576 7.424 -7.731 391 HD2 TYR 48 HD2 TYR 48 1.772 9.412 -4.758 392 HE1 TYR 48 HE1 TYR 48 -0.498 9.432 -9.132 393 HE2 TYR 48 HE2 TYR 48 1.843 11.429 -6.168 394 HH TYR 48 HH TYR 48 -0.179 11.860 -8.861 395 H LEU 49 H LEU 49 -1.472 5.442 -3.110 396 HA LEU 49 HA LEU 49 -0.168 2.929 -2.722 397 HB2 LEU 49 HB2 LEU 49 -2.623 4.077 -1.347 398 HB3 LEU 49 HB3 LEU 49 -1.808 2.604 -0.838 399 HG LEU 49 HG LEU 49 -0.656 5.420 -0.772 400 HD11 LEU 49 HD11 LEU 49 -2.306 4.994 0.985 401 HD12 LEU 49 HD12 LEU 49 -0.687 5.141 1.662 402 HD13 LEU 49 HD13 LEU 49 -1.425 3.547 1.487 403 HD21 LEU 49 HD21 LEU 49 0.689 2.814 0.043 404 HD22 LEU 49 HD22 LEU 49 1.329 4.436 0.318 405 HD23 LEU 49 HD23 LEU 49 1.137 3.838 -1.327 406 H LYS 50 H LYS 50 -3.546 3.778 -3.511 407 HA LYS 50 HA LYS 50 -4.741 1.312 -3.837 408 HB2 LYS 50 HB2 LYS 50 -5.946 3.449 -3.911 409 HB3 LYS 50 HB3 LYS 50 -5.163 3.876 -5.426 410 HG2 LYS 50 HG2 LYS 50 -6.367 1.925 -6.503 411 HG3 LYS 50 HG3 LYS 50 -7.244 1.706 -4.984 412 HD2 LYS 50 HD2 LYS 50 -8.128 4.035 -5.186 413 HD3 LYS 50 HD3 LYS 50 -7.282 4.209 -6.726 414 HE2 LYS 50 HE2 LYS 50 -9.632 3.721 -7.136 415 HE3 LYS 50 HE3 LYS 50 -8.656 2.347 -7.653 416 HZ1 LYS 50 HZ1 LYS 50 -10.092 2.521 -5.058 417 HZ2 LYS 50 HZ2 LYS 50 -9.257 1.176 -5.658 418 HZ3 LYS 50 HZ3 LYS 50 -10.665 1.711 -6.428 419 H TYR 51 H TYR 51 -2.898 3.122 -6.288 420 HA TYR 51 HA TYR 51 -3.194 1.112 -8.327 421 HB2 TYR 51 HB2 TYR 51 -1.990 3.842 -8.209 422 HB3 TYR 51 HB3 TYR 51 -1.255 2.747 -9.377 423 HD1 TYR 51 HD1 TYR 51 -2.939 1.399 -10.887 424 HD2 TYR 51 HD2 TYR 51 -3.933 5.065 -8.926 425 HE1 TYR 51 HE1 TYR 51 -4.757 1.741 -12.477 426 HE2 TYR 51 HE2 TYR 51 -5.772 5.413 -10.533 427 HH TYR 51 HH TYR 51 -6.370 4.671 -12.857 428 H SER 52 H SER 52 -0.506 2.055 -6.138 429 HA SER 52 HA SER 52 1.455 0.332 -7.240 430 HB2 SER 52 HB2 SER 52 1.138 1.330 -4.386 431 HB3 SER 52 HB3 SER 52 2.523 0.386 -4.924 432 HG SER 52 HG SER 52 2.097 3.004 -5.161 433 H ILE 53 H ILE 53 -1.080 -0.265 -4.849 434 HA ILE 53 HA ILE 53 -0.376 -2.924 -4.148 435 HB ILE 53 HB ILE 53 -3.053 -1.469 -3.986 436 HG12 ILE 53 HG12 ILE 53 -0.991 -2.104 -1.823 437 HG13 ILE 53 HG13 ILE 53 -1.236 -0.526 -2.554 438 HG21 ILE 53 HG21 ILE 53 -3.801 -3.261 -2.454 439 HG22 ILE 53 HG22 ILE 53 -2.312 -4.156 -2.772 440 HG23 ILE 53 HG23 ILE 53 -3.477 -3.880 -4.069 441 HD11 ILE 53 HD11 ILE 53 -2.224 -0.629 -0.361 442 HD12 ILE 53 HD12 ILE 53 -3.206 -2.017 -0.826 443 HD13 ILE 53 HD13 ILE 53 -3.488 -0.445 -1.578 444 H LYS 54 H LYS 54 -2.917 -1.667 -6.375 445 HA LYS 54 HA LYS 54 -3.881 -4.202 -7.183 446 HB2 LYS 54 HB2 LYS 54 -5.135 -2.025 -7.405 447 HB3 LYS 54 HB3 LYS 54 -4.075 -1.596 -8.744 448 HG2 LYS 54 HG2 LYS 54 -4.899 -3.784 -9.865 449 HG3 LYS 54 HG3 LYS 54 -6.148 -3.806 -8.621 450 HD2 LYS 54 HD2 LYS 54 -7.062 -2.796 -10.627 451 HD3 LYS 54 HD3 LYS 54 -6.901 -1.544 -9.393 452 HE2 LYS 54 HE2 LYS 54 -4.852 -0.717 -10.461 453 HE3 LYS 54 HE3 LYS 54 -4.912 -2.027 -11.645 454 HZ1 LYS 54 HZ1 LYS 54 -7.025 -1.124 -12.435 455 HZ2 LYS 54 HZ2 LYS 54 -5.756 -0.019 -12.596 456 HZ3 LYS 54 HZ3 LYS 54 -6.885 0.165 -11.349 457 H ALA 55 H ALA 55 -1.467 -2.038 -8.611 458 HA ALA 55 HA ALA 55 -0.903 -3.540 -10.951 459 HB1 ALA 55 HB1 ALA 55 -0.303 -1.167 -10.738 460 HB2 ALA 55 HB2 ALA 55 1.111 -2.148 -11.143 461 HB3 ALA 55 HB3 ALA 55 0.884 -1.571 -9.488 462 H LEU 56 H LEU 56 0.411 -3.730 -7.617 463 HA LEU 56 HA LEU 56 2.327 -5.787 -8.277 464 HB2 LEU 56 HB2 LEU 56 1.265 -4.815 -5.617 465 HB3 LEU 56 HB3 LEU 56 2.380 -6.167 -5.735 466 HG LEU 56 HG LEU 56 2.954 -3.293 -6.561 467 HD11 LEU 56 HD11 LEU 56 4.587 -3.315 -4.720 468 HD12 LEU 56 HD12 LEU 56 4.084 -4.949 -4.282 469 HD13 LEU 56 HD13 LEU 56 2.949 -3.606 -4.136 470 HD21 LEU 56 HD21 LEU 56 4.098 -4.820 -8.106 471 HD22 LEU 56 HD22 LEU 56 4.786 -5.715 -6.746 472 HD23 LEU 56 HD23 LEU 56 5.260 -4.039 -7.036 473 H VAL 57 H VAL 57 -1.098 -5.849 -7.362 474 HA VAL 57 HA VAL 57 -1.237 -8.700 -6.945 475 HB VAL 57 HB VAL 57 -3.492 -6.800 -7.771 476 HG11 VAL 57 HG11 VAL 57 -5.046 -8.539 -6.922 477 HG12 VAL 57 HG12 VAL 57 -3.678 -9.605 -6.590 478 HG13 VAL 57 HG13 VAL 57 -4.065 -9.159 -8.253 479 HG21 VAL 57 HG21 VAL 57 -2.719 -7.763 -4.985 480 HG22 VAL 57 HG22 VAL 57 -4.126 -6.768 -5.371 481 HG23 VAL 57 HG23 VAL 57 -2.500 -6.130 -5.613 482 H GLN 58 H GLN 58 -1.441 -6.538 -9.705 483 HA GLN 58 HA GLN 58 -2.006 -8.442 -11.750 484 HB2 GLN 58 HB2 GLN 58 -2.412 -5.960 -11.876 485 HB3 GLN 58 HB3 GLN 58 -0.680 -5.697 -11.921 486 HG2 GLN 58 HG2 GLN 58 -1.822 -7.464 -14.040 487 HG3 GLN 58 HG3 GLN 58 -2.246 -5.763 -14.117 488 HE21 GLN 58 HE21 GLN 58 -1.134 -5.535 -16.077 489 HE22 GLN 58 HE22 GLN 58 0.588 -5.484 -16.156 490 H ASN 59 H ASN 59 0.995 -7.155 -10.312 491 HA ASN 59 HA ASN 59 2.786 -8.764 -11.951 492 HB2 ASN 59 HB2 ASN 59 3.227 -7.055 -9.467 493 HB3 ASN 59 HB3 ASN 59 4.520 -8.005 -10.182 494 HD21 ASN 59 HD21 ASN 59 2.082 -6.247 -12.079 495 HD22 ASN 59 HD22 ASN 59 3.185 -5.083 -12.700 496 H ASP 60 H ASP 60 0.637 -9.669 -9.663 497 HA ASP 60 HA ASP 60 0.267 -11.364 -8.238 498 HB2 ASP 60 HB2 ASP 60 2.492 -12.761 -9.765 499 HB3 ASP 60 HB3 ASP 60 1.265 -13.552 -8.784 500 H THR 61 H THR 61 2.516 -9.412 -7.633 501 HA THR 61 HA THR 61 4.248 -10.675 -5.721 502 HB THR 61 HB THR 61 3.573 -7.716 -6.064 503 HG1 THR 61 HG1 THR 61 4.684 -9.228 -7.822 504 HG21 THR 61 HG21 THR 61 4.725 -8.186 -3.913 505 HG22 THR 61 HG22 THR 61 5.752 -7.269 -5.017 506 HG23 THR 61 HG23 THR 61 6.022 -8.999 -4.792 507 H LEU 62 H LEU 62 1.196 -8.868 -5.630 508 HA LEU 62 HA LEU 62 0.783 -9.546 -2.764 509 HB2 LEU 62 HB2 LEU 62 -0.450 -7.267 -4.376 510 HB3 LEU 62 HB3 LEU 62 -0.848 -7.653 -2.710 511 HG LEU 62 HG LEU 62 1.833 -6.614 -3.713 512 HD11 LEU 62 HD11 LEU 62 0.080 -4.895 -3.676 513 HD12 LEU 62 HD12 LEU 62 1.293 -4.589 -2.439 514 HD13 LEU 62 HD13 LEU 62 -0.273 -5.266 -1.985 515 HD21 LEU 62 HD21 LEU 62 2.495 -6.488 -1.340 516 HD22 LEU 62 HD22 LEU 62 2.199 -8.148 -1.844 517 HD23 LEU 62 HD23 LEU 62 0.995 -7.297 -0.874 518 H LEU 63 H LEU 63 -1.532 -9.898 -2.168 519 HA LEU 63 HA LEU 63 -3.263 -11.012 -4.317 520 HB2 LEU 63 HB2 LEU 63 -2.888 -11.992 -1.457 521 HB3 LEU 63 HB3 LEU 63 -4.182 -12.551 -2.506 522 HG LEU 63 HG LEU 63 -1.220 -12.942 -3.055 523 HD11 LEU 63 HD11 LEU 63 -3.242 -14.943 -2.013 524 HD12 LEU 63 HD12 LEU 63 -1.898 -14.241 -1.106 525 HD13 LEU 63 HD13 LEU 63 -1.574 -15.299 -2.479 526 HD21 LEU 63 HD21 LEU 63 -2.531 -12.852 -5.126 527 HD22 LEU 63 HD22 LEU 63 -3.634 -14.081 -4.504 528 HD23 LEU 63 HD23 LEU 63 -1.948 -14.488 -4.829 529 H GLN 64 H GLN 64 -5.424 -10.480 -4.238 530 HA GLN 64 HA GLN 64 -6.369 -8.507 -2.270 531 HB2 GLN 64 HB2 GLN 64 -6.837 -8.000 -4.609 532 HB3 GLN 64 HB3 GLN 64 -7.593 -9.572 -4.848 533 HG2 GLN 64 HG2 GLN 64 -9.434 -8.941 -3.345 534 HG3 GLN 64 HG3 GLN 64 -8.665 -7.389 -3.024 535 HE21 GLN 64 HE21 GLN 64 -7.880 -6.846 -5.759 536 HE22 GLN 64 HE22 GLN 64 -9.327 -6.518 -6.639 537 H VAL 65 H VAL 65 -7.113 -9.375 -0.427 538 HA VAL 65 HA VAL 65 -8.562 -11.957 -0.419 539 HB VAL 65 HB VAL 65 -7.094 -10.784 1.973 540 HG11 VAL 65 HG11 VAL 65 -7.142 -13.114 2.818 541 HG12 VAL 65 HG12 VAL 65 -8.011 -13.624 1.369 542 HG13 VAL 65 HG13 VAL 65 -8.768 -12.501 2.500 543 HG21 VAL 65 HG21 VAL 65 -5.174 -12.255 1.464 544 HG22 VAL 65 HG22 VAL 65 -5.433 -11.056 0.195 545 HG23 VAL 65 HG23 VAL 65 -5.937 -12.729 -0.060 546 H LYS 66 H LYS 66 -10.573 -10.734 -0.828 547 HA LYS 66 HA LYS 66 -11.607 -9.006 1.288 548 HB2 LYS 66 HB2 LYS 66 -13.692 -8.958 -0.139 549 HB3 LYS 66 HB3 LYS 66 -12.228 -8.385 -0.933 550 HG2 LYS 66 HG2 LYS 66 -12.004 -10.597 -2.056 551 HG3 LYS 66 HG3 LYS 66 -13.528 -11.102 -1.315 552 HD2 LYS 66 HD2 LYS 66 -14.744 -9.364 -2.517 553 HD3 LYS 66 HD3 LYS 66 -13.240 -8.698 -3.159 554 HE2 LYS 66 HE2 LYS 66 -12.867 -10.814 -4.412 555 HE3 LYS 66 HE3 LYS 66 -14.409 -11.429 -3.804 556 HZ1 LYS 66 HZ1 LYS 66 -15.538 -9.638 -4.934 557 HZ2 LYS 66 HZ2 LYS 66 -14.590 -10.499 -6.036 558 HZ3 LYS 66 HZ3 LYS 66 -14.069 -8.994 -5.469 559 H GLY 67 H GLY 67 -11.167 -12.213 1.318 560 HA2 GLY 67 HA2 GLY 67 -13.577 -13.217 2.481 561 HA3 GLY 67 HA3 GLY 67 -11.975 -13.915 2.638 562 H THR 68 H THR 68 -10.596 -11.824 3.900 563 HA THR 68 HA THR 68 -11.617 -12.022 6.632 564 HB THR 68 HB THR 68 -9.288 -12.492 6.448 565 HG1 THR 68 HG1 THR 68 -8.407 -10.594 7.711 566 HG21 THR 68 HG21 THR 68 -8.747 -11.349 4.329 567 HG22 THR 68 HG22 THR 68 -7.587 -10.925 5.589 568 HG23 THR 68 HG23 THR 68 -8.850 -9.781 5.134 569 H GLY 69 H GLY 69 -13.194 -10.611 7.125 570 HA2 GLY 69 HA2 GLY 69 -14.308 -8.649 7.566 571 HA3 GLY 69 HA3 GLY 69 -12.782 -7.807 7.341 572 H ALA 70 H ALA 70 -15.565 -9.198 5.600 573 HA ALA 70 HA ALA 70 -14.819 -8.878 2.968 574 HB1 ALA 70 HB1 ALA 70 -17.640 -8.696 4.063 575 HB2 ALA 70 HB2 ALA 70 -16.762 -10.183 3.708 576 HB3 ALA 70 HB3 ALA 70 -17.196 -9.085 2.399 577 H ASN 71 H ASN 71 -13.894 -6.999 2.303 578 HA ASN 71 HA ASN 71 -15.569 -4.864 1.416 579 HB2 ASN 71 HB2 ASN 71 -15.064 -4.305 3.921 580 HB3 ASN 71 HB3 ASN 71 -13.414 -3.989 3.406 581 HD21 ASN 71 HD21 ASN 71 -15.442 -2.200 4.565 582 HD22 ASN 71 HD22 ASN 71 -15.613 -0.893 3.448 583 H GLY 72 H GLY 72 -12.160 -5.655 2.222 584 HA2 GLY 72 HA2 GLY 72 -11.159 -6.355 -0.170 585 HA3 GLY 72 HA3 GLY 72 -11.150 -4.605 -0.315 586 H SER 73 H SER 73 -9.698 -7.382 1.307 587 HA SER 73 HA SER 73 -7.624 -5.660 2.528 588 HB2 SER 73 HB2 SER 73 -8.216 -8.609 2.983 589 HB3 SER 73 HB3 SER 73 -6.910 -7.722 3.755 590 HG SER 73 HG SER 73 -8.928 -7.956 4.982 591 H PHE 74 H PHE 74 -5.365 -6.568 2.414 592 HA PHE 74 HA PHE 74 -4.625 -7.844 -0.116 593 HB2 PHE 74 HB2 PHE 74 -3.629 -5.056 0.653 594 HB3 PHE 74 HB3 PHE 74 -3.114 -5.976 -0.754 595 HD1 PHE 74 HD1 PHE 74 -5.023 -6.641 -2.451 596 HD2 PHE 74 HD2 PHE 74 -5.345 -3.453 0.391 597 HE1 PHE 74 HE1 PHE 74 -6.795 -5.599 -3.807 598 HE2 PHE 74 HE2 PHE 74 -7.115 -2.422 -0.975 599 HZ PHE 74 HZ PHE 74 -7.840 -3.495 -3.071 600 H LYS 75 H LYS 75 -2.706 -9.009 0.097 601 HA LYS 75 HA LYS 75 -0.894 -8.410 2.345 602 HB2 LYS 75 HB2 LYS 75 -0.803 -10.681 3.174 603 HB3 LYS 75 HB3 LYS 75 -2.475 -10.141 3.204 604 HG2 LYS 75 HG2 LYS 75 -3.029 -11.477 1.279 605 HG3 LYS 75 HG3 LYS 75 -1.334 -11.876 1.000 606 HD2 LYS 75 HD2 LYS 75 -1.358 -13.011 3.299 607 HD3 LYS 75 HD3 LYS 75 -3.111 -12.801 3.282 608 HE2 LYS 75 HE2 LYS 75 -2.598 -15.044 2.528 609 HE3 LYS 75 HE3 LYS 75 -3.182 -14.120 1.139 610 HZ1 LYS 75 HZ1 LYS 75 -1.225 -15.453 0.605 611 HZ2 LYS 75 HZ2 LYS 75 -0.323 -14.639 1.778 612 HZ3 LYS 75 HZ3 LYS 75 -0.897 -13.803 0.426 613 H LEU 76 H LEU 76 1.083 -9.852 2.291 614 HA LEU 76 HA LEU 76 2.397 -9.666 -0.244 615 HB2 LEU 76 HB2 LEU 76 3.316 -11.116 2.279 616 HB3 LEU 76 HB3 LEU 76 4.338 -10.618 0.937 617 HG LEU 76 HG LEU 76 2.900 -8.741 2.869 618 HD11 LEU 76 HD11 LEU 76 5.861 -9.355 2.626 619 HD12 LEU 76 HD12 LEU 76 4.791 -9.863 3.936 620 HD13 LEU 76 HD13 LEU 76 5.133 -8.151 3.695 621 HD21 LEU 76 HD21 LEU 76 4.135 -6.904 1.786 622 HD22 LEU 76 HD22 LEU 76 3.046 -7.702 0.659 623 HD23 LEU 76 HD23 LEU 76 4.777 -8.032 0.586 624 H ASN 77 H ASN 77 2.757 -11.256 -1.786 625 HA ASN 77 HA ASN 77 1.574 -13.948 -1.338 626 HB2 ASN 77 HB2 ASN 77 0.463 -12.580 -3.125 627 HB3 ASN 77 HB3 ASN 77 2.001 -12.473 -3.982 628 HD21 ASN 77 HD21 ASN 77 1.068 -13.477 -5.789 629 HD22 ASN 77 HD22 ASN 77 0.753 -15.169 -5.842 630 H ARG 78 H ARG 78 4.116 -12.385 -3.334 631 HA ARG 78 HA ARG 78 5.857 -14.724 -3.163 632 HB2 ARG 78 HB2 ARG 78 3.960 -15.255 -4.825 633 HB3 ARG 78 HB3 ARG 78 4.567 -13.952 -5.836 634 HG2 ARG 78 HG2 ARG 78 5.343 -16.054 -6.725 635 HG3 ARG 78 HG3 ARG 78 6.733 -15.192 -6.059 636 HD2 ARG 78 HD2 ARG 78 6.628 -16.582 -4.025 637 HD3 ARG 78 HD3 ARG 78 5.218 -17.434 -4.669 638 HE ARG 78 HE ARG 78 7.376 -17.616 -6.494 639 HH11 ARG 78 HH11 ARG 78 6.359 -18.941 -3.454 640 HH12 ARG 78 HH12 ARG 78 7.290 -20.379 -3.669 641 HH21 ARG 78 HH21 ARG 78 8.526 -19.457 -6.740 642 HH22 ARG 78 HH22 ARG 78 8.488 -20.676 -5.514 643 H LYS 79 H LYS 79 7.871 -14.410 -4.445 644 HA LYS 79 HA LYS 79 8.786 -11.667 -4.736 645 HB2 LYS 79 HB2 LYS 79 10.172 -13.581 -3.813 646 HB3 LYS 79 HB3 LYS 79 10.194 -14.288 -5.418 647 HG2 LYS 79 HG2 LYS 79 12.287 -13.162 -4.983 648 HG3 LYS 79 HG3 LYS 79 11.430 -12.317 -6.267 649 HD2 LYS 79 HD2 LYS 79 10.760 -10.550 -4.730 650 HD3 LYS 79 HD3 LYS 79 11.426 -11.438 -3.353 651 HE2 LYS 79 HE2 LYS 79 13.696 -11.190 -4.269 652 HE3 LYS 79 HE3 LYS 79 13.051 -10.357 -5.685 653 HZ1 LYS 79 HZ1 LYS 79 12.235 -8.617 -4.200 654 HZ2 LYS 79 HZ2 LYS 79 13.912 -8.791 -4.121 655 HZ3 LYS 79 HZ3 LYS 79 12.940 -9.405 -2.878 656 H LYS 80 H LYS 80 6.615 -12.776 -6.517 657 HA LYS 80 HA LYS 80 7.474 -13.123 -9.188 658 HB2 LYS 80 HB2 LYS 80 5.121 -13.481 -7.781 659 HB3 LYS 80 HB3 LYS 80 4.726 -12.036 -8.685 660 HG2 LYS 80 HG2 LYS 80 5.598 -14.681 -9.891 661 HG3 LYS 80 HG3 LYS 80 3.930 -14.120 -9.743 662 HD2 LYS 80 HD2 LYS 80 4.516 -12.170 -11.210 663 HD3 LYS 80 HD3 LYS 80 6.131 -12.851 -11.428 664 HE2 LYS 80 HE2 LYS 80 4.741 -13.414 -13.349 665 HE3 LYS 80 HE3 LYS 80 5.096 -14.885 -12.443 666 HZ1 LYS 80 HZ1 LYS 80 2.787 -14.794 -13.106 667 HZ2 LYS 80 HZ2 LYS 80 2.578 -13.321 -12.302 668 HZ3 LYS 80 HZ3 LYS 80 2.913 -14.723 -11.422 669 H LEU 81 H LEU 81 7.596 -10.372 -7.286 670 HA LEU 81 HA LEU 81 7.104 -8.207 -8.979 671 HB2 LEU 81 HB2 LEU 81 7.646 -8.221 -6.496 672 HB3 LEU 81 HB3 LEU 81 9.330 -8.459 -6.909 673 HG LEU 81 HG LEU 81 7.829 -5.998 -7.893 674 HD11 LEU 81 HD11 LEU 81 8.582 -4.770 -5.891 675 HD12 LEU 81 HD12 LEU 81 9.213 -6.267 -5.200 676 HD13 LEU 81 HD13 LEU 81 7.478 -6.077 -5.464 677 HD21 LEU 81 HD21 LEU 81 10.780 -6.447 -7.297 678 HD22 LEU 81 HD22 LEU 81 10.063 -4.948 -7.896 679 HD23 LEU 81 HD23 LEU 81 10.047 -6.395 -8.901 680 H GLU 82 H GLU 82 9.900 -10.382 -8.754 681 HA GLU 82 HA GLU 82 11.005 -9.362 -11.278 682 HB2 GLU 82 HB2 GLU 82 13.297 -9.160 -10.295 683 HB3 GLU 82 HB3 GLU 82 12.154 -7.983 -9.657 684 HG2 GLU 82 HG2 GLU 82 11.878 -9.379 -7.623 685 HG3 GLU 82 HG3 GLU 82 13.071 -10.514 -8.256 686 H GLY 83 H GLY 83 11.210 -11.858 -8.708 687 HA2 GLY 83 HA2 GLY 83 12.100 -13.839 -10.745 688 HA3 GLY 83 HA3 GLY 83 12.895 -13.736 -9.184 Start of MODEL 8 1 H1 SER 1 H1 SER 1 10.946 -1.752 -22.174 2 H2 SER 1 H2 SER 1 9.478 -1.756 -21.335 3 H3 SER 1 H3 SER 1 9.696 -2.785 -22.657 4 HA SER 1 HA SER 1 9.847 -4.006 -20.598 5 HB2 SER 1 HB2 SER 1 12.052 -5.104 -21.035 6 HB3 SER 1 HB3 SER 1 11.162 -4.794 -22.525 7 HG SER 1 HG SER 1 13.503 -4.201 -22.410 8 H HIS 2 H HIS 2 11.175 -0.940 -20.346 9 HA HIS 2 HA HIS 2 12.929 -1.311 -18.088 10 HB2 HIS 2 HB2 HIS 2 13.249 0.632 -19.544 11 HB3 HIS 2 HB3 HIS 2 11.614 1.198 -19.224 12 HD1 HIS 2 HD1 HIS 2 11.425 2.919 -17.442 13 HD2 HIS 2 HD2 HIS 2 14.909 0.676 -17.038 14 HE1 HIS 2 HE1 HIS 2 12.681 3.959 -15.533 15 HE2 HIS 2 HE2 HIS 2 14.856 2.707 -15.434 16 H MET 3 H MET 3 11.760 -2.476 -16.549 17 HA MET 3 HA MET 3 9.279 -1.463 -15.411 18 HB2 MET 3 HB2 MET 3 11.064 -3.787 -14.555 19 HB3 MET 3 HB3 MET 3 9.499 -3.403 -13.838 20 HG2 MET 3 HG2 MET 3 10.011 -4.264 -16.698 21 HG3 MET 3 HG3 MET 3 9.240 -5.217 -15.426 22 HE1 MET 3 HE1 MET 3 6.760 -4.609 -14.408 23 HE2 MET 3 HE2 MET 3 5.871 -3.168 -14.904 24 HE3 MET 3 HE3 MET 3 7.375 -3.006 -14.001 25 H GLN 4 H GLN 4 9.188 0.062 -13.901 26 HA GLN 4 HA GLN 4 11.580 1.046 -12.549 27 HB2 GLN 4 HB2 GLN 4 8.709 2.062 -12.448 28 HB3 GLN 4 HB3 GLN 4 10.135 2.923 -11.872 29 HG2 GLN 4 HG2 GLN 4 10.968 3.132 -14.165 30 HG3 GLN 4 HG3 GLN 4 9.612 2.179 -14.772 31 HE21 GLN 4 HE21 GLN 4 7.529 3.123 -14.791 32 HE22 GLN 4 HE22 GLN 4 7.303 4.830 -14.674 33 HA PRO 5 HA PRO 5 10.324 -1.171 -8.681 34 HB2 PRO 5 HB2 PRO 5 12.817 0.071 -7.606 35 HB3 PRO 5 HB3 PRO 5 12.347 -1.633 -7.653 36 HG2 PRO 5 HG2 PRO 5 14.285 -0.694 -9.264 37 HG3 PRO 5 HG3 PRO 5 13.144 -1.934 -9.828 38 HD2 PRO 5 HD2 PRO 5 13.102 1.047 -10.351 39 HD3 PRO 5 HD3 PRO 5 12.877 -0.297 -11.499 40 H GLY 6 H GLY 6 8.534 0.280 -8.479 41 HA2 GLY 6 HA2 GLY 6 8.633 3.041 -7.932 42 HA3 GLY 6 HA3 GLY 6 7.256 1.992 -7.657 43 H LYS 7 H LYS 7 8.774 4.246 -6.097 44 HA LYS 7 HA LYS 7 9.765 3.091 -3.692 45 HB2 LYS 7 HB2 LYS 7 10.205 5.452 -4.695 46 HB3 LYS 7 HB3 LYS 7 8.695 5.926 -3.924 47 HG2 LYS 7 HG2 LYS 7 9.643 5.303 -1.718 48 HG3 LYS 7 HG3 LYS 7 11.155 4.843 -2.508 49 HD2 LYS 7 HD2 LYS 7 11.400 7.208 -3.313 50 HD3 LYS 7 HD3 LYS 7 9.939 7.635 -2.419 51 HE2 LYS 7 HE2 LYS 7 11.956 8.266 -1.162 52 HE3 LYS 7 HE3 LYS 7 11.055 7.017 -0.302 53 HZ1 LYS 7 HZ1 LYS 7 12.607 5.373 -1.098 54 HZ2 LYS 7 HZ2 LYS 7 13.448 6.608 -0.311 55 HZ3 LYS 7 HZ3 LYS 7 13.443 6.532 -2.002 56 H TYR 8 H TYR 8 6.577 4.284 -4.663 57 HA TYR 8 HA TYR 8 5.301 4.001 -2.113 58 HB2 TYR 8 HB2 TYR 8 4.189 4.272 -4.928 59 HB3 TYR 8 HB3 TYR 8 3.147 4.101 -3.521 60 HD1 TYR 8 HD1 TYR 8 3.024 5.921 -1.814 61 HD2 TYR 8 HD2 TYR 8 5.350 6.389 -5.374 62 HE1 TYR 8 HE1 TYR 8 3.119 8.347 -1.438 63 HE2 TYR 8 HE2 TYR 8 5.444 8.819 -4.988 64 HH TYR 8 HH TYR 8 4.713 10.266 -2.106 65 H SER 9 H SER 9 5.682 1.770 -4.910 66 HA SER 9 HA SER 9 3.956 -0.276 -3.862 67 HB2 SER 9 HB2 SER 9 4.962 -1.764 -5.592 68 HB3 SER 9 HB3 SER 9 4.458 -0.213 -6.260 69 HG SER 9 HG SER 9 6.413 -0.174 -7.005 70 H GLN 10 H GLN 10 7.472 0.253 -3.662 71 HA GLN 10 HA GLN 10 8.152 -1.968 -2.044 72 HB2 GLN 10 HB2 GLN 10 9.364 0.822 -2.206 73 HB3 GLN 10 HB3 GLN 10 10.077 -0.481 -1.257 74 HG2 GLN 10 HG2 GLN 10 9.628 -0.570 -4.258 75 HG3 GLN 10 HG3 GLN 10 11.152 -0.156 -3.480 76 HE21 GLN 10 HE21 GLN 10 10.504 -2.376 -5.314 77 HE22 GLN 10 HE22 GLN 10 10.950 -3.814 -4.475 78 H LEU 11 H LEU 11 7.022 1.305 -1.215 79 HA LEU 11 HA LEU 11 7.061 1.151 1.578 80 HB2 LEU 11 HB2 LEU 11 6.725 3.268 0.358 81 HB3 LEU 11 HB3 LEU 11 5.165 2.710 -0.219 82 HG LEU 11 HG LEU 11 4.329 2.703 2.161 83 HD11 LEU 11 HD11 LEU 11 6.980 4.031 2.807 84 HD12 LEU 11 HD12 LEU 11 6.444 2.436 3.349 85 HD13 LEU 11 HD13 LEU 11 5.600 3.880 3.899 86 HD21 LEU 11 HD21 LEU 11 5.354 5.383 1.161 87 HD22 LEU 11 HD22 LEU 11 4.063 5.141 2.341 88 HD23 LEU 11 HD23 LEU 11 3.846 4.598 0.680 89 H VAL 12 H VAL 12 4.450 0.198 -0.706 90 HA VAL 12 HA VAL 12 2.451 -0.484 1.160 91 HB VAL 12 HB VAL 12 2.948 -1.642 -1.621 92 HG11 VAL 12 HG11 VAL 12 0.619 -2.502 -1.558 93 HG12 VAL 12 HG12 VAL 12 0.481 -2.001 0.128 94 HG13 VAL 12 HG13 VAL 12 1.622 -3.266 -0.325 95 HG21 VAL 12 HG21 VAL 12 0.952 0.455 -0.680 96 HG22 VAL 12 HG22 VAL 12 1.091 -0.163 -2.327 97 HG23 VAL 12 HG23 VAL 12 2.410 0.767 -1.618 98 H VAL 13 H VAL 13 4.967 -2.557 -0.313 99 HA VAL 13 HA VAL 13 4.319 -4.979 0.988 100 HB VAL 13 HB VAL 13 7.018 -4.052 -0.093 101 HG11 VAL 13 HG11 VAL 13 6.111 -6.876 0.597 102 HG12 VAL 13 HG12 VAL 13 7.346 -5.945 1.444 103 HG13 VAL 13 HG13 VAL 13 7.621 -6.461 -0.220 104 HG21 VAL 13 HG21 VAL 13 6.415 -5.351 -2.125 105 HG22 VAL 13 HG22 VAL 13 5.262 -4.050 -1.822 106 HG23 VAL 13 HG23 VAL 13 4.836 -5.714 -1.421 107 H GLU 14 H GLU 14 6.538 -2.346 1.925 108 HA GLU 14 HA GLU 14 7.512 -3.500 4.356 109 HB2 GLU 14 HB2 GLU 14 7.427 -0.600 3.419 110 HB3 GLU 14 HB3 GLU 14 8.282 -1.146 4.861 111 HG2 GLU 14 HG2 GLU 14 9.751 -2.547 3.478 112 HG3 GLU 14 HG3 GLU 14 8.877 -2.051 2.027 113 H THR 15 H THR 15 4.676 -1.615 3.556 114 HA THR 15 HA THR 15 3.955 -0.842 6.229 115 HB THR 15 HB THR 15 2.460 -0.789 3.590 116 HG1 THR 15 HG1 THR 15 3.668 0.972 3.601 117 HG21 THR 15 HG21 THR 15 0.664 0.485 4.721 118 HG22 THR 15 HG22 THR 15 1.396 0.112 6.280 119 HG23 THR 15 HG23 THR 15 0.742 -1.184 5.280 120 H ILE 16 H ILE 16 2.742 -3.363 3.987 121 HA ILE 16 HA ILE 16 0.908 -4.581 5.778 122 HB ILE 16 HB ILE 16 2.361 -5.789 3.375 123 HG12 ILE 16 HG12 ILE 16 -0.403 -4.493 3.561 124 HG13 ILE 16 HG13 ILE 16 1.013 -3.766 2.808 125 HG21 ILE 16 HG21 ILE 16 1.437 -7.571 4.803 126 HG22 ILE 16 HG22 ILE 16 0.544 -7.458 3.287 127 HG23 ILE 16 HG23 ILE 16 -0.147 -6.791 4.768 128 HD11 ILE 16 HD11 ILE 16 0.999 -5.542 1.108 129 HD12 ILE 16 HD12 ILE 16 -0.509 -4.632 1.144 130 HD13 ILE 16 HD13 ILE 16 -0.439 -6.240 1.860 131 H ARG 17 H ARG 17 4.342 -5.045 5.192 132 HA ARG 17 HA ARG 17 4.938 -7.164 6.973 133 HB2 ARG 17 HB2 ARG 17 6.466 -6.356 5.232 134 HB3 ARG 17 HB3 ARG 17 6.575 -4.787 6.011 135 HG2 ARG 17 HG2 ARG 17 7.767 -5.833 7.917 136 HG3 ARG 17 HG3 ARG 17 7.674 -7.397 7.098 137 HD2 ARG 17 HD2 ARG 17 8.987 -6.474 5.204 138 HD3 ARG 17 HD3 ARG 17 9.083 -4.917 6.036 139 HE ARG 17 HE ARG 17 10.115 -6.919 7.722 140 HH11 ARG 17 HH11 ARG 17 11.001 -5.252 4.806 141 HH12 ARG 17 HH12 ARG 17 12.687 -5.513 5.055 142 HH21 ARG 17 HH21 ARG 17 12.257 -7.207 8.013 143 HH22 ARG 17 HH22 ARG 17 13.390 -6.605 6.857 144 H ARG 18 H ARG 18 4.780 -3.624 7.487 145 HA ARG 18 HA ARG 18 5.457 -3.506 10.239 146 HB2 ARG 18 HB2 ARG 18 3.941 -1.690 8.357 147 HB3 ARG 18 HB3 ARG 18 3.964 -1.304 10.071 148 HG2 ARG 18 HG2 ARG 18 6.481 -1.660 8.412 149 HG3 ARG 18 HG3 ARG 18 5.672 -0.106 8.654 150 HD2 ARG 18 HD2 ARG 18 6.824 -1.878 10.845 151 HD3 ARG 18 HD3 ARG 18 7.532 -0.374 10.237 152 HE ARG 18 HE ARG 18 4.931 0.199 11.064 153 HH11 ARG 18 HH11 ARG 18 7.910 -0.709 12.561 154 HH12 ARG 18 HH12 ARG 18 7.471 0.006 14.068 155 HH21 ARG 18 HH21 ARG 18 4.415 1.095 12.970 156 HH22 ARG 18 HH22 ARG 18 5.525 1.023 14.295 157 H LEU 19 H LEU 19 2.317 -3.839 8.614 158 HA LEU 19 HA LEU 19 0.665 -3.799 10.918 159 HB2 LEU 19 HB2 LEU 19 0.148 -4.937 8.139 160 HB3 LEU 19 HB3 LEU 19 -1.088 -4.711 9.369 161 HG LEU 19 HG LEU 19 0.558 -2.428 8.202 162 HD11 LEU 19 HD11 LEU 19 -1.432 -1.786 6.923 163 HD12 LEU 19 HD12 LEU 19 -2.262 -3.247 7.466 164 HD13 LEU 19 HD13 LEU 19 -0.833 -3.374 6.437 165 HD21 LEU 19 HD21 LEU 19 -1.125 -0.978 9.274 166 HD22 LEU 19 HD22 LEU 19 -0.267 -1.964 10.455 167 HD23 LEU 19 HD23 LEU 19 -1.908 -2.399 9.972 168 H GLY 20 H GLY 20 2.327 -6.377 9.194 169 HA2 GLY 20 HA2 GLY 20 2.769 -8.569 9.660 170 HA3 GLY 20 HA3 GLY 20 2.471 -8.176 11.346 171 H GLU 21 H GLU 21 0.181 -8.009 8.655 172 HA GLU 21 HA GLU 21 -1.909 -9.306 10.044 173 HB2 GLU 21 HB2 GLU 21 -3.135 -9.209 7.854 174 HB3 GLU 21 HB3 GLU 21 -2.461 -7.672 8.375 175 HG2 GLU 21 HG2 GLU 21 -2.125 -7.791 6.029 176 HG3 GLU 21 HG3 GLU 21 -0.550 -8.048 6.771 177 H ARG 22 H ARG 22 -3.216 -11.183 8.776 178 HA ARG 22 HA ARG 22 -1.419 -13.377 7.982 179 HB2 ARG 22 HB2 ARG 22 -1.755 -13.285 10.554 180 HB3 ARG 22 HB3 ARG 22 -3.409 -13.787 10.249 181 HG2 ARG 22 HG2 ARG 22 -2.074 -15.701 10.888 182 HG3 ARG 22 HG3 ARG 22 -2.561 -15.880 9.201 183 HD2 ARG 22 HD2 ARG 22 -0.345 -15.169 8.454 184 HD3 ARG 22 HD3 ARG 22 0.145 -14.855 10.123 185 HE ARG 22 HE ARG 22 -0.713 -17.564 9.597 186 HH11 ARG 22 HH11 ARG 22 2.034 -15.453 9.691 187 HH12 ARG 22 HH12 ARG 22 3.149 -16.760 9.881 188 HH21 ARG 22 HH21 ARG 22 0.731 -19.207 9.868 189 HH22 ARG 22 HH22 ARG 22 2.420 -18.857 9.989 190 H ASN 23 H ASN 23 -3.902 -11.709 6.965 191 HA ASN 23 HA ASN 23 -5.249 -13.858 5.566 192 HB2 ASN 23 HB2 ASN 23 -6.347 -13.672 7.930 193 HB3 ASN 23 HB3 ASN 23 -7.058 -12.169 7.351 194 HD21 ASN 23 HD21 ASN 23 -7.031 -15.636 7.059 195 HD22 ASN 23 HD22 ASN 23 -8.479 -15.769 6.136 196 H GLY 24 H GLY 24 -4.522 -10.533 6.014 197 HA2 GLY 24 HA2 GLY 24 -4.431 -9.352 3.771 198 HA3 GLY 24 HA3 GLY 24 -6.158 -9.657 3.696 199 H SER 25 H SER 25 -4.148 -7.216 4.154 200 HA SER 25 HA SER 25 -5.575 -5.939 6.425 201 HB2 SER 25 HB2 SER 25 -3.651 -4.333 6.460 202 HB3 SER 25 HB3 SER 25 -3.131 -5.999 6.697 203 HG SER 25 HG SER 25 -3.020 -5.596 4.112 204 H SER 26 H SER 26 -7.005 -4.308 5.978 205 HA SER 26 HA SER 26 -7.852 -3.718 3.352 206 HB2 SER 26 HB2 SER 26 -9.360 -2.058 4.374 207 HB3 SER 26 HB3 SER 26 -9.334 -3.538 5.332 208 HG SER 26 HG SER 26 -9.178 -1.624 6.611 209 H LEU 27 H LEU 27 -7.776 -1.773 2.101 210 HA LEU 27 HA LEU 27 -5.285 -0.528 1.833 211 HB2 LEU 27 HB2 LEU 27 -6.948 -0.677 0.013 212 HB3 LEU 27 HB3 LEU 27 -7.992 0.452 0.856 213 HG LEU 27 HG LEU 27 -6.293 2.258 0.545 214 HD11 LEU 27 HD11 LEU 27 -4.741 0.220 -1.079 215 HD12 LEU 27 HD12 LEU 27 -4.247 0.922 0.467 216 HD13 LEU 27 HD13 LEU 27 -4.382 1.945 -0.961 217 HD21 LEU 27 HD21 LEU 27 -6.612 2.589 -1.867 218 HD22 LEU 27 HD22 LEU 27 -8.094 2.023 -1.100 219 HD23 LEU 27 HD23 LEU 27 -7.107 0.904 -2.044 220 H ALA 28 H ALA 28 -8.027 0.446 3.793 221 HA ALA 28 HA ALA 28 -7.183 3.093 4.481 222 HB1 ALA 28 HB1 ALA 28 -8.901 2.936 6.244 223 HB2 ALA 28 HB2 ALA 28 -9.045 1.199 5.961 224 HB3 ALA 28 HB3 ALA 28 -9.516 2.341 4.701 225 H LYS 29 H LYS 29 -6.751 -0.102 5.994 226 HA LYS 29 HA LYS 29 -5.329 0.697 8.330 227 HB2 LYS 29 HB2 LYS 29 -6.559 -1.481 8.003 228 HB3 LYS 29 HB3 LYS 29 -5.318 -1.987 6.869 229 HG2 LYS 29 HG2 LYS 29 -4.962 -3.053 9.013 230 HG3 LYS 29 HG3 LYS 29 -3.640 -1.929 8.692 231 HD2 LYS 29 HD2 LYS 29 -4.557 -0.302 10.244 232 HD3 LYS 29 HD3 LYS 29 -6.038 -1.245 10.437 233 HE2 LYS 29 HE2 LYS 29 -3.262 -2.119 11.317 234 HE3 LYS 29 HE3 LYS 29 -4.539 -1.512 12.376 235 HZ1 LYS 29 HZ1 LYS 29 -5.916 -3.400 11.699 236 HZ2 LYS 29 HZ2 LYS 29 -4.477 -3.911 12.425 237 HZ3 LYS 29 HZ3 LYS 29 -4.653 -3.996 10.744 238 H ILE 30 H ILE 30 -4.324 -0.446 5.127 239 HA ILE 30 HA ILE 30 -1.526 -0.378 5.382 240 HB ILE 30 HB ILE 30 -3.315 -0.027 2.930 241 HG12 ILE 30 HG12 ILE 30 -1.755 -2.463 3.914 242 HG13 ILE 30 HG13 ILE 30 -3.491 -2.232 4.088 243 HG21 ILE 30 HG21 ILE 30 -1.140 0.973 2.386 244 HG22 ILE 30 HG22 ILE 30 -1.360 -0.535 1.500 245 HG23 ILE 30 HG23 ILE 30 -0.310 -0.492 2.917 246 HD11 ILE 30 HD11 ILE 30 -3.720 -2.291 1.634 247 HD12 ILE 30 HD12 ILE 30 -3.010 -3.765 2.292 248 HD13 ILE 30 HD13 ILE 30 -1.982 -2.575 1.493 249 H TYR 31 H TYR 31 -3.866 2.118 4.407 250 HA TYR 31 HA TYR 31 -2.068 4.168 3.736 251 HB2 TYR 31 HB2 TYR 31 -4.487 4.172 3.162 252 HB3 TYR 31 HB3 TYR 31 -4.887 4.426 4.856 253 HD1 TYR 31 HD2 TYR 31 -3.297 5.989 1.877 254 HD2 TYR 31 HD1 TYR 31 -4.804 6.646 5.817 255 HE1 TYR 31 HE2 TYR 31 -3.176 8.410 1.515 256 HE2 TYR 31 HE1 TYR 31 -4.669 9.069 5.464 257 HH TYR 31 HH TYR 31 -3.396 10.644 4.050 258 H THR 32 H THR 32 -3.423 3.225 6.888 259 HA THR 32 HA THR 32 -2.771 5.518 8.372 260 HB THR 32 HB THR 32 -2.959 2.686 9.479 261 HG1 THR 32 HG1 THR 32 -4.791 3.736 8.152 262 HG21 THR 32 HG21 THR 32 -3.434 5.375 10.834 263 HG22 THR 32 HG22 THR 32 -2.070 4.302 11.141 264 HG23 THR 32 HG23 THR 32 -3.703 3.794 11.573 265 H GLU 33 H GLU 33 -0.741 2.647 7.745 266 HA GLU 33 HA GLU 33 1.497 3.661 9.319 267 HB2 GLU 33 HB2 GLU 33 1.277 1.325 7.392 268 HB3 GLU 33 HB3 GLU 33 2.756 1.726 8.257 269 HG2 GLU 33 HG2 GLU 33 0.119 0.962 9.554 270 HG3 GLU 33 HG3 GLU 33 1.465 -0.137 9.274 271 H ALA 34 H ALA 34 0.570 3.536 5.894 272 HA ALA 34 HA ALA 34 3.112 4.384 4.859 273 HB1 ALA 34 HB1 ALA 34 1.962 4.436 2.692 274 HB2 ALA 34 HB2 ALA 34 0.405 4.248 3.505 275 HB3 ALA 34 HB3 ALA 34 1.599 2.951 3.573 276 H LYS 35 H LYS 35 0.374 6.151 6.086 277 HA LYS 35 HA LYS 35 0.769 8.578 4.579 278 HB2 LYS 35 HB2 LYS 35 -0.951 9.564 5.982 279 HB3 LYS 35 HB3 LYS 35 -1.445 7.940 5.513 280 HG2 LYS 35 HG2 LYS 35 -0.632 7.134 7.768 281 HG3 LYS 35 HG3 LYS 35 -0.392 8.825 8.216 282 HD2 LYS 35 HD2 LYS 35 -3.039 7.543 7.414 283 HD3 LYS 35 HD3 LYS 35 -2.552 7.950 9.058 284 HE2 LYS 35 HE2 LYS 35 -3.038 9.928 6.799 285 HE3 LYS 35 HE3 LYS 35 -4.117 9.614 8.157 286 HZ1 LYS 35 HZ1 LYS 35 -2.863 11.587 8.570 287 HZ2 LYS 35 HZ2 LYS 35 -1.399 10.787 8.298 288 HZ3 LYS 35 HZ3 LYS 35 -2.341 10.388 9.641 289 H LYS 36 H LYS 36 2.382 7.255 7.256 290 HA LYS 36 HA LYS 36 2.985 9.590 8.781 291 HB2 LYS 36 HB2 LYS 36 4.436 6.914 8.706 292 HB3 LYS 36 HB3 LYS 36 4.572 8.131 9.977 293 HG2 LYS 36 HG2 LYS 36 2.209 7.812 10.569 294 HG3 LYS 36 HG3 LYS 36 2.024 6.631 9.266 295 HD2 LYS 36 HD2 LYS 36 3.698 5.167 10.393 296 HD3 LYS 36 HD3 LYS 36 3.834 6.349 11.697 297 HE2 LYS 36 HE2 LYS 36 1.322 4.805 10.958 298 HE3 LYS 36 HE3 LYS 36 2.378 4.470 12.332 299 HZ1 LYS 36 HZ1 LYS 36 0.426 5.721 12.985 300 HZ2 LYS 36 HZ2 LYS 36 0.833 6.973 11.925 301 HZ3 LYS 36 HZ3 LYS 36 1.830 6.626 13.247 302 H VAL 37 H VAL 37 4.465 8.216 5.933 303 HA VAL 37 HA VAL 37 7.142 9.135 6.446 304 HB VAL 37 HB VAL 37 6.881 8.632 3.590 305 HG11 VAL 37 HG11 VAL 37 8.448 6.778 4.033 306 HG12 VAL 37 HG12 VAL 37 8.196 6.979 5.769 307 HG13 VAL 37 HG13 VAL 37 8.942 8.273 4.833 308 HG21 VAL 37 HG21 VAL 37 4.810 7.415 4.075 309 HG22 VAL 37 HG22 VAL 37 5.646 6.429 5.274 310 HG23 VAL 37 HG23 VAL 37 6.084 6.306 3.567 311 HA PRO 38 HA PRO 38 6.911 13.410 5.248 312 HB2 PRO 38 HB2 PRO 38 9.737 13.189 4.288 313 HB3 PRO 38 HB3 PRO 38 9.054 14.233 5.541 314 HG2 PRO 38 HG2 PRO 38 10.578 12.107 6.160 315 HG3 PRO 38 HG3 PRO 38 9.194 12.576 7.176 316 HD2 PRO 38 HD2 PRO 38 9.407 10.360 5.143 317 HD3 PRO 38 HD3 PRO 38 8.619 10.356 6.738 318 H TRP 39 H TRP 39 8.304 11.185 2.839 319 HA TRP 39 HA TRP 39 7.985 13.049 0.629 320 HB2 TRP 39 HB2 TRP 39 8.833 11.150 -0.781 321 HB3 TRP 39 HB3 TRP 39 9.909 11.596 0.535 322 HD1 TRP 39 HD1 TRP 39 10.268 9.803 2.508 323 HE1 TRP 39 HE1 TRP 39 9.854 7.267 2.608 324 HE3 TRP 39 HE3 TRP 39 7.183 9.283 -1.558 325 HZ2 TRP 39 HZ2 TRP 39 8.405 5.315 1.202 326 HZ3 TRP 39 HZ3 TRP 39 6.324 7.041 -2.096 327 HH2 TRP 39 HH2 TRP 39 6.922 5.100 -0.743 328 H PHE 40 H PHE 40 5.965 10.839 2.204 329 HA PHE 40 HA PHE 40 4.230 10.124 0.017 330 HB2 PHE 40 HB2 PHE 40 4.519 8.788 2.136 331 HB3 PHE 40 HB3 PHE 40 3.690 10.060 3.021 332 HD1 PHE 40 HD2 PHE 40 3.298 7.314 0.597 333 HD2 PHE 40 HD1 PHE 40 1.245 10.306 2.852 334 HE1 PHE 40 HE2 PHE 40 1.154 6.211 0.125 335 HE2 PHE 40 HE1 PHE 40 -0.896 9.187 2.377 336 HZ PHE 40 HZ PHE 40 -0.943 7.140 1.014 337 H ASP 41 H ASP 41 2.269 11.054 -0.576 338 HA ASP 41 HA ASP 41 1.528 13.677 0.613 339 HB2 ASP 41 HB2 ASP 41 2.167 13.744 -1.824 340 HB3 ASP 41 HB3 ASP 41 0.842 12.637 -2.178 341 H GLN 42 H GLN 42 -0.610 13.934 1.387 342 HA GLN 42 HA GLN 42 -2.011 11.519 2.076 343 HB2 GLN 42 HB2 GLN 42 -2.853 14.414 2.487 344 HB3 GLN 42 HB3 GLN 42 -3.614 13.011 3.235 345 HG2 GLN 42 HG2 GLN 42 -0.790 14.011 3.707 346 HG3 GLN 42 HG3 GLN 42 -2.151 14.108 4.822 347 HE21 GLN 42 HE21 GLN 42 0.278 12.031 3.457 348 HE22 GLN 42 HE22 GLN 42 0.050 10.718 4.549 349 H GLN 43 H GLN 43 -2.743 14.225 -0.114 350 HA GLN 43 HA GLN 43 -5.435 13.511 -0.743 351 HB2 GLN 43 HB2 GLN 43 -3.484 15.209 -2.353 352 HB3 GLN 43 HB3 GLN 43 -5.240 15.221 -2.515 353 HG2 GLN 43 HG2 GLN 43 -5.490 16.211 -0.317 354 HG3 GLN 43 HG3 GLN 43 -3.764 16.047 0.006 355 HE21 GLN 43 HE21 GLN 43 -2.300 17.389 -1.161 356 HE22 GLN 43 HE22 GLN 43 -2.824 18.867 -1.888 357 H ASN 44 H ASN 44 -2.487 13.314 -2.721 358 HA ASN 44 HA ASN 44 -3.747 11.698 -4.790 359 HB2 ASN 44 HB2 ASN 44 -0.906 12.801 -4.598 360 HB3 ASN 44 HB3 ASN 44 -1.640 12.081 -6.030 361 HD21 ASN 44 HD21 ASN 44 -1.605 14.880 -3.936 362 HD22 ASN 44 HD22 ASN 44 -2.448 15.931 -5.013 363 H GLY 45 H GLY 45 -1.595 11.225 -2.073 364 HA2 GLY 45 HA2 GLY 45 -0.232 8.884 -2.945 365 HA3 GLY 45 HA3 GLY 45 -0.369 9.453 -1.296 366 H ARG 46 H ARG 46 -3.381 9.298 -1.424 367 HA ARG 46 HA ARG 46 -3.867 6.628 -0.620 368 HB2 ARG 46 HB2 ARG 46 -5.294 8.610 -0.043 369 HB3 ARG 46 HB3 ARG 46 -5.864 8.666 -1.703 370 HG2 ARG 46 HG2 ARG 46 -7.528 7.627 -0.254 371 HG3 ARG 46 HG3 ARG 46 -6.918 6.461 -1.422 372 HD2 ARG 46 HD2 ARG 46 -5.603 5.343 0.231 373 HD3 ARG 46 HD3 ARG 46 -5.825 6.651 1.391 374 HE ARG 46 HE ARG 46 -7.966 4.776 0.551 375 HH11 ARG 46 HH11 ARG 46 -6.560 6.826 2.968 376 HH12 ARG 46 HH12 ARG 46 -7.636 6.286 4.204 377 HH21 ARG 46 HH21 ARG 46 -9.318 4.088 2.190 378 HH22 ARG 46 HH22 ARG 46 -9.161 4.768 3.772 379 H THR 47 H THR 47 -4.318 8.275 -3.745 380 HA THR 47 HA THR 47 -5.232 6.000 -5.229 381 HB THR 47 HB THR 47 -3.917 8.540 -6.300 382 HG1 THR 47 HG1 THR 47 -6.235 9.044 -6.714 383 HG21 THR 47 HG21 THR 47 -5.695 6.519 -7.738 384 HG22 THR 47 HG22 THR 47 -3.960 6.733 -8.000 385 HG23 THR 47 HG23 THR 47 -5.086 8.024 -8.422 386 H TYR 48 H TYR 48 -2.018 7.429 -4.593 387 HA TYR 48 HA TYR 48 -0.515 5.867 -6.423 388 HB2 TYR 48 HB2 TYR 48 0.366 7.169 -3.818 389 HB3 TYR 48 HB3 TYR 48 1.480 6.433 -4.967 390 HD1 TYR 48 HD1 TYR 48 -0.304 7.614 -7.422 391 HD2 TYR 48 HD2 TYR 48 1.637 9.291 -3.999 392 HE1 TYR 48 HE1 TYR 48 -0.074 9.764 -8.591 393 HE2 TYR 48 HE2 TYR 48 1.859 11.437 -5.172 394 HH TYR 48 HH TYR 48 1.911 12.288 -7.462 395 H LEU 49 H LEU 49 -1.417 5.248 -3.017 396 HA LEU 49 HA LEU 49 -0.032 2.799 -2.699 397 HB2 LEU 49 HB2 LEU 49 -2.572 3.774 -1.350 398 HB3 LEU 49 HB3 LEU 49 -1.735 2.298 -0.893 399 HG LEU 49 HG LEU 49 -0.676 5.134 -0.626 400 HD11 LEU 49 HD11 LEU 49 -1.415 3.087 1.485 401 HD12 LEU 49 HD12 LEU 49 -2.332 4.536 1.064 402 HD13 LEU 49 HD13 LEU 49 -0.732 4.689 1.781 403 HD21 LEU 49 HD21 LEU 49 0.753 2.527 0.019 404 HD22 LEU 49 HD22 LEU 49 1.324 4.147 0.431 405 HD23 LEU 49 HD23 LEU 49 1.182 3.673 -1.257 406 H LYS 50 H LYS 50 -3.438 3.442 -3.594 407 HA LYS 50 HA LYS 50 -4.343 0.861 -4.122 408 HB2 LYS 50 HB2 LYS 50 -5.835 2.815 -4.066 409 HB3 LYS 50 HB3 LYS 50 -5.063 3.476 -5.503 410 HG2 LYS 50 HG2 LYS 50 -5.876 1.160 -6.584 411 HG3 LYS 50 HG3 LYS 50 -7.040 1.220 -5.260 412 HD2 LYS 50 HD2 LYS 50 -7.870 3.383 -6.039 413 HD3 LYS 50 HD3 LYS 50 -6.618 3.452 -7.281 414 HE2 LYS 50 HE2 LYS 50 -7.622 1.388 -8.312 415 HE3 LYS 50 HE3 LYS 50 -8.940 1.498 -7.143 416 HZ1 LYS 50 HZ1 LYS 50 -9.434 3.716 -8.038 417 HZ2 LYS 50 HZ2 LYS 50 -9.586 2.501 -9.202 418 HZ3 LYS 50 HZ3 LYS 50 -8.227 3.509 -9.207 419 H TYR 51 H TYR 51 -2.559 3.066 -6.249 420 HA TYR 51 HA TYR 51 -2.857 1.514 -8.650 421 HB2 TYR 51 HB2 TYR 51 -2.105 4.171 -8.074 422 HB3 TYR 51 HB3 TYR 51 -0.622 3.464 -8.688 423 HD1 TYR 51 HD1 TYR 51 -0.696 2.305 -10.987 424 HD2 TYR 51 HD2 TYR 51 -3.850 4.813 -9.569 425 HE1 TYR 51 HE1 TYR 51 -1.523 2.564 -13.286 426 HE2 TYR 51 HE2 TYR 51 -4.675 5.072 -11.870 427 HH TYR 51 HH TYR 51 -3.814 4.884 -14.179 428 H SER 52 H SER 52 -0.274 2.039 -6.309 429 HA SER 52 HA SER 52 1.730 0.364 -7.333 430 HB2 SER 52 HB2 SER 52 1.026 1.106 -4.466 431 HB3 SER 52 HB3 SER 52 2.472 0.198 -4.894 432 HG SER 52 HG SER 52 1.962 2.867 -5.100 433 H ILE 53 H ILE 53 -0.943 -0.326 -5.104 434 HA ILE 53 HA ILE 53 -0.488 -3.070 -4.692 435 HB ILE 53 HB ILE 53 -2.973 -1.344 -4.434 436 HG12 ILE 53 HG12 ILE 53 -1.125 -2.642 -2.382 437 HG13 ILE 53 HG13 ILE 53 -1.199 -0.932 -2.781 438 HG21 ILE 53 HG21 ILE 53 -4.125 -3.187 -3.272 439 HG22 ILE 53 HG22 ILE 53 -2.809 -4.280 -3.704 440 HG23 ILE 53 HG23 ILE 53 -3.815 -3.569 -4.967 441 HD11 ILE 53 HD11 ILE 53 -3.332 -2.548 -1.392 442 HD12 ILE 53 HD12 ILE 53 -3.476 -0.849 -1.843 443 HD13 ILE 53 HD13 ILE 53 -2.259 -1.349 -0.670 444 H LYS 54 H LYS 54 -2.424 -1.360 -7.166 445 HA LYS 54 HA LYS 54 -3.624 -3.626 -8.368 446 HB2 LYS 54 HB2 LYS 54 -4.370 -1.260 -8.746 447 HB3 LYS 54 HB3 LYS 54 -2.918 -0.978 -9.701 448 HG2 LYS 54 HG2 LYS 54 -3.683 -2.766 -11.294 449 HG3 LYS 54 HG3 LYS 54 -5.170 -2.910 -10.359 450 HD2 LYS 54 HD2 LYS 54 -5.599 -1.536 -12.311 451 HD3 LYS 54 HD3 LYS 54 -5.688 -0.519 -10.872 452 HE2 LYS 54 HE2 LYS 54 -3.449 0.377 -11.336 453 HE3 LYS 54 HE3 LYS 54 -3.274 -0.714 -12.715 454 HZ1 LYS 54 HZ1 LYS 54 -5.266 1.474 -12.459 455 HZ2 LYS 54 HZ2 LYS 54 -5.153 0.403 -13.763 456 HZ3 LYS 54 HZ3 LYS 54 -3.889 1.476 -13.448 457 H ALA 55 H ALA 55 -0.630 -1.863 -9.088 458 HA ALA 55 HA ALA 55 0.339 -3.423 -11.231 459 HB1 ALA 55 HB1 ALA 55 1.238 -1.199 -10.652 460 HB2 ALA 55 HB2 ALA 55 2.524 -2.407 -10.722 461 HB3 ALA 55 HB3 ALA 55 1.915 -1.854 -9.159 462 H LEU 56 H LEU 56 0.786 -3.746 -7.696 463 HA LEU 56 HA LEU 56 2.621 -5.923 -7.802 464 HB2 LEU 56 HB2 LEU 56 0.905 -4.866 -5.542 465 HB3 LEU 56 HB3 LEU 56 2.041 -6.190 -5.333 466 HG LEU 56 HG LEU 56 2.782 -3.348 -6.148 467 HD11 LEU 56 HD11 LEU 56 3.808 -3.155 -3.922 468 HD12 LEU 56 HD12 LEU 56 3.188 -4.753 -3.493 469 HD13 LEU 56 HD13 LEU 56 2.069 -3.430 -3.823 470 HD21 LEU 56 HD21 LEU 56 4.603 -5.708 -5.559 471 HD22 LEU 56 HD22 LEU 56 5.122 -4.047 -5.867 472 HD23 LEU 56 HD23 LEU 56 4.326 -4.966 -7.139 473 H VAL 57 H VAL 57 -0.939 -5.828 -7.619 474 HA VAL 57 HA VAL 57 -1.311 -8.647 -7.241 475 HB VAL 57 HB VAL 57 -3.240 -6.577 -8.405 476 HG11 VAL 57 HG11 VAL 57 -3.886 -8.829 -9.175 477 HG12 VAL 57 HG12 VAL 57 -5.050 -8.230 -7.994 478 HG13 VAL 57 HG13 VAL 57 -3.846 -9.428 -7.515 479 HG21 VAL 57 HG21 VAL 57 -3.134 -7.783 -5.605 480 HG22 VAL 57 HG22 VAL 57 -4.331 -6.620 -6.185 481 HG23 VAL 57 HG23 VAL 57 -2.640 -6.144 -6.037 482 H GLN 58 H GLN 58 -1.022 -6.531 -10.094 483 HA GLN 58 HA GLN 58 -1.340 -8.425 -12.147 484 HB2 GLN 58 HB2 GLN 58 -1.413 -6.039 -12.578 485 HB3 GLN 58 HB3 GLN 58 0.223 -5.816 -11.988 486 HG2 GLN 58 HG2 GLN 58 -0.218 -7.582 -14.372 487 HG3 GLN 58 HG3 GLN 58 -0.338 -5.841 -14.576 488 HE21 GLN 58 HE21 GLN 58 1.648 -7.785 -15.649 489 HE22 GLN 58 HE22 GLN 58 3.182 -7.173 -15.155 490 H ASN 59 H ASN 59 1.540 -7.522 -10.228 491 HA ASN 59 HA ASN 59 3.283 -9.411 -11.615 492 HB2 ASN 59 HB2 ASN 59 3.727 -7.572 -9.228 493 HB3 ASN 59 HB3 ASN 59 4.951 -8.705 -9.790 494 HD21 ASN 59 HD21 ASN 59 3.496 -5.645 -10.315 495 HD22 ASN 59 HD22 ASN 59 4.410 -5.194 -11.696 496 H ASP 60 H ASP 60 0.891 -9.849 -9.374 497 HA ASP 60 HA ASP 60 0.222 -11.484 -7.969 498 HB2 ASP 60 HB2 ASP 60 2.475 -13.149 -9.151 499 HB3 ASP 60 HB3 ASP 60 1.097 -13.770 -8.247 500 H THR 61 H THR 61 2.322 -9.587 -7.142 501 HA THR 61 HA THR 61 3.679 -10.806 -4.903 502 HB THR 61 HB THR 61 3.222 -7.862 -5.580 503 HG1 THR 61 HG1 THR 61 5.708 -8.402 -6.013 504 HG21 THR 61 HG21 THR 61 3.792 -8.130 -3.183 505 HG22 THR 61 HG22 THR 61 5.114 -7.370 -4.067 506 HG23 THR 61 HG23 THR 61 5.220 -9.074 -3.619 507 H LEU 62 H LEU 62 0.590 -9.139 -5.462 508 HA LEU 62 HA LEU 62 -0.141 -9.474 -2.602 509 HB2 LEU 62 HB2 LEU 62 -0.988 -7.243 -4.486 510 HB3 LEU 62 HB3 LEU 62 -1.720 -7.522 -2.912 511 HG LEU 62 HG LEU 62 1.159 -6.686 -3.442 512 HD11 LEU 62 HD11 LEU 62 0.528 -4.613 -2.288 513 HD12 LEU 62 HD12 LEU 62 -1.130 -5.196 -2.120 514 HD13 LEU 62 HD13 LEU 62 -0.463 -4.872 -3.722 515 HD21 LEU 62 HD21 LEU 62 1.404 -6.549 -0.991 516 HD22 LEU 62 HD22 LEU 62 1.111 -8.199 -1.530 517 HD23 LEU 62 HD23 LEU 62 -0.196 -7.269 -0.790 518 H LEU 63 H LEU 63 -2.206 -10.117 -2.100 519 HA LEU 63 HA LEU 63 -3.963 -11.163 -4.255 520 HB2 LEU 63 HB2 LEU 63 -3.550 -12.195 -1.417 521 HB3 LEU 63 HB3 LEU 63 -4.822 -12.769 -2.485 522 HG LEU 63 HG LEU 63 -1.842 -13.068 -2.999 523 HD11 LEU 63 HD11 LEU 63 -2.161 -15.461 -2.557 524 HD12 LEU 63 HD12 LEU 63 -3.836 -15.155 -2.091 525 HD13 LEU 63 HD13 LEU 63 -2.514 -14.472 -1.139 526 HD21 LEU 63 HD21 LEU 63 -3.083 -12.896 -5.096 527 HD22 LEU 63 HD22 LEU 63 -4.183 -14.177 -4.578 528 HD23 LEU 63 HD23 LEU 63 -2.476 -14.535 -4.862 529 H GLN 64 H GLN 64 -6.052 -10.527 -4.258 530 HA GLN 64 HA GLN 64 -6.958 -8.448 -2.431 531 HB2 GLN 64 HB2 GLN 64 -8.833 -8.112 -3.929 532 HB3 GLN 64 HB3 GLN 64 -7.374 -8.240 -4.894 533 HG2 GLN 64 HG2 GLN 64 -9.389 -10.478 -4.523 534 HG3 GLN 64 HG3 GLN 64 -9.375 -9.360 -5.881 535 HE21 GLN 64 HE21 GLN 64 -7.679 -9.546 -7.435 536 HE22 GLN 64 HE22 GLN 64 -6.758 -10.999 -7.581 537 H VAL 65 H VAL 65 -8.272 -8.764 -0.742 538 HA VAL 65 HA VAL 65 -9.850 -11.254 -0.438 539 HB VAL 65 HB VAL 65 -8.305 -9.961 1.863 540 HG11 VAL 65 HG11 VAL 65 -10.345 -11.126 2.597 541 HG12 VAL 65 HG12 VAL 65 -8.913 -12.012 3.124 542 HG13 VAL 65 HG13 VAL 65 -9.844 -12.587 1.739 543 HG21 VAL 65 HG21 VAL 65 -6.788 -11.921 1.794 544 HG22 VAL 65 HG22 VAL 65 -6.688 -10.965 0.314 545 HG23 VAL 65 HG23 VAL 65 -7.587 -12.485 0.324 546 H LYS 66 H LYS 66 -11.943 -10.833 -0.005 547 HA LYS 66 HA LYS 66 -12.701 -8.313 1.390 548 HB2 LYS 66 HB2 LYS 66 -14.928 -8.551 0.260 549 HB3 LYS 66 HB3 LYS 66 -13.592 -8.296 -0.856 550 HG2 LYS 66 HG2 LYS 66 -13.566 -10.742 -1.340 551 HG3 LYS 66 HG3 LYS 66 -14.976 -10.938 -0.293 552 HD2 LYS 66 HD2 LYS 66 -16.315 -9.512 -1.772 553 HD3 LYS 66 HD3 LYS 66 -14.899 -9.172 -2.772 554 HE2 LYS 66 HE2 LYS 66 -16.182 -11.904 -2.409 555 HE3 LYS 66 HE3 LYS 66 -16.376 -10.855 -3.815 556 HZ1 LYS 66 HZ1 LYS 66 -13.993 -11.025 -4.210 557 HZ2 LYS 66 HZ2 LYS 66 -14.719 -12.550 -4.222 558 HZ3 LYS 66 HZ3 LYS 66 -13.820 -12.053 -2.879 559 H GLY 67 H GLY 67 -12.397 -11.624 1.772 560 HA2 GLY 67 HA2 GLY 67 -14.685 -12.375 3.272 561 HA3 GLY 67 HA3 GLY 67 -13.128 -13.187 3.276 562 H THR 68 H THR 68 -11.458 -11.253 4.342 563 HA THR 68 HA THR 68 -12.190 -11.245 7.145 564 HB THR 68 HB THR 68 -9.861 -11.679 6.528 565 HG1 THR 68 HG1 THR 68 -10.502 -10.433 8.527 566 HG21 THR 68 HG21 THR 68 -9.731 -8.806 5.556 567 HG22 THR 68 HG22 THR 68 -9.663 -10.238 4.528 568 HG23 THR 68 HG23 THR 68 -8.370 -9.918 5.686 569 H GLY 69 H GLY 69 -12.408 -9.008 4.542 570 HA2 GLY 69 HA2 GLY 69 -13.964 -7.089 5.924 571 HA3 GLY 69 HA3 GLY 69 -12.310 -6.498 5.780 572 H ALA 70 H ALA 70 -15.227 -6.265 4.350 573 HA ALA 70 HA ALA 70 -14.568 -6.615 1.542 574 HB1 ALA 70 HB1 ALA 70 -16.804 -7.186 2.432 575 HB2 ALA 70 HB2 ALA 70 -16.909 -5.989 1.141 576 HB3 ALA 70 HB3 ALA 70 -17.084 -5.487 2.825 577 H ASN 71 H ASN 71 -12.955 -4.586 2.863 578 HA ASN 71 HA ASN 71 -13.722 -2.090 1.439 579 HB2 ASN 71 HB2 ASN 71 -11.929 -2.413 3.893 580 HB3 ASN 71 HB3 ASN 71 -12.326 -0.883 3.116 581 HD21 ASN 71 HD21 ASN 71 -14.534 -0.147 3.224 582 HD22 ASN 71 HD22 ASN 71 -15.553 -0.657 4.521 583 H GLY 72 H GLY 72 -12.131 -4.600 0.569 584 HA2 GLY 72 HA2 GLY 72 -10.388 -5.002 -0.898 585 HA3 GLY 72 HA3 GLY 72 -9.977 -3.295 -0.848 586 H SER 73 H SER 73 -9.620 -6.376 0.871 587 HA SER 73 HA SER 73 -7.445 -5.302 2.551 588 HB2 SER 73 HB2 SER 73 -8.952 -7.948 2.755 589 HB3 SER 73 HB3 SER 73 -7.737 -7.363 3.895 590 HG SER 73 HG SER 73 -10.361 -6.478 3.457 591 H PHE 74 H PHE 74 -5.397 -5.655 1.851 592 HA PHE 74 HA PHE 74 -4.869 -7.796 -0.118 593 HB2 PHE 74 HB2 PHE 74 -3.468 -5.106 0.183 594 HB3 PHE 74 HB3 PHE 74 -3.117 -6.318 -1.049 595 HD1 PHE 74 HD1 PHE 74 -4.996 -6.960 -2.689 596 HD2 PHE 74 HD2 PHE 74 -5.185 -3.482 -0.202 597 HE1 PHE 74 HE1 PHE 74 -6.747 -6.014 -4.135 598 HE2 PHE 74 HE2 PHE 74 -6.934 -2.541 -1.660 599 HZ PHE 74 HZ PHE 74 -7.718 -3.808 -3.624 600 H LYS 75 H LYS 75 -3.157 -9.120 0.133 601 HA LYS 75 HA LYS 75 -1.403 -8.861 2.503 602 HB2 LYS 75 HB2 LYS 75 -1.640 -11.325 2.889 603 HB3 LYS 75 HB3 LYS 75 -3.120 -10.422 3.173 604 HG2 LYS 75 HG2 LYS 75 -4.080 -11.200 1.086 605 HG3 LYS 75 HG3 LYS 75 -2.562 -11.971 0.629 606 HD2 LYS 75 HD2 LYS 75 -2.767 -13.525 2.543 607 HD3 LYS 75 HD3 LYS 75 -4.279 -12.746 3.019 608 HE2 LYS 75 HE2 LYS 75 -5.317 -13.469 0.904 609 HE3 LYS 75 HE3 LYS 75 -3.799 -14.221 0.410 610 HZ1 LYS 75 HZ1 LYS 75 -3.968 -15.737 2.247 611 HZ2 LYS 75 HZ2 LYS 75 -5.386 -15.810 1.328 612 HZ3 LYS 75 HZ3 LYS 75 -5.376 -14.984 2.802 613 H LEU 76 H LEU 76 0.524 -10.198 2.401 614 HA LEU 76 HA LEU 76 1.813 -9.983 -0.190 615 HB2 LEU 76 HB2 LEU 76 2.852 -10.815 2.552 616 HB3 LEU 76 HB3 LEU 76 3.870 -10.654 1.126 617 HG LEU 76 HG LEU 76 2.284 -8.354 2.354 618 HD11 LEU 76 HD11 LEU 76 4.414 -7.503 3.228 619 HD12 LEU 76 HD12 LEU 76 5.243 -8.955 2.657 620 HD13 LEU 76 HD13 LEU 76 4.019 -9.075 3.922 621 HD21 LEU 76 HD21 LEU 76 3.642 -6.907 0.912 622 HD22 LEU 76 HD22 LEU 76 2.725 -8.064 -0.049 623 HD23 LEU 76 HD23 LEU 76 4.449 -8.319 0.225 624 H ASN 77 H ASN 77 2.082 -11.626 -1.596 625 HA ASN 77 HA ASN 77 1.109 -14.268 -1.143 626 HB2 ASN 77 HB2 ASN 77 2.811 -13.183 -3.429 627 HB3 ASN 77 HB3 ASN 77 2.063 -14.779 -3.412 628 HD21 ASN 77 HD21 ASN 77 0.839 -14.283 -5.266 629 HD22 ASN 77 HD22 ASN 77 -0.501 -13.200 -5.213 630 H ARG 78 H ARG 78 2.156 -15.366 0.450 631 HA ARG 78 HA ARG 78 4.975 -15.652 0.752 632 HB2 ARG 78 HB2 ARG 78 3.379 -16.080 2.576 633 HB3 ARG 78 HB3 ARG 78 2.655 -17.398 1.665 634 HG2 ARG 78 HG2 ARG 78 4.755 -18.687 1.846 635 HG3 ARG 78 HG3 ARG 78 5.484 -17.365 2.765 636 HD2 ARG 78 HD2 ARG 78 4.668 -19.215 4.220 637 HD3 ARG 78 HD3 ARG 78 3.878 -17.674 4.572 638 HE ARG 78 HE ARG 78 2.240 -18.966 2.763 639 HH11 ARG 78 HH11 ARG 78 3.407 -19.714 5.938 640 HH12 ARG 78 HH12 ARG 78 1.974 -20.584 6.354 641 HH21 ARG 78 HH21 ARG 78 0.428 -20.061 3.338 642 HH22 ARG 78 HH22 ARG 78 0.315 -20.774 4.905 643 H LYS 79 H LYS 79 2.516 -17.483 -1.044 644 HA LYS 79 HA LYS 79 4.528 -19.217 -2.326 645 HB2 LYS 79 HB2 LYS 79 2.591 -20.388 -3.316 646 HB3 LYS 79 HB3 LYS 79 2.433 -20.277 -1.567 647 HG2 LYS 79 HG2 LYS 79 0.793 -18.516 -1.758 648 HG3 LYS 79 HG3 LYS 79 1.033 -18.402 -3.499 649 HD2 LYS 79 HD2 LYS 79 -1.049 -19.643 -2.908 650 HD3 LYS 79 HD3 LYS 79 0.086 -20.619 -3.842 651 HE2 LYS 79 HE2 LYS 79 0.832 -21.736 -1.755 652 HE3 LYS 79 HE3 LYS 79 -0.317 -20.766 -0.830 653 HZ1 LYS 79 HZ1 LYS 79 -0.978 -22.748 -2.938 654 HZ2 LYS 79 HZ2 LYS 79 -2.105 -21.784 -2.125 655 HZ3 LYS 79 HZ3 LYS 79 -1.207 -22.935 -1.271 656 H LYS 80 H LYS 80 4.705 -16.393 -2.861 657 HA LYS 80 HA LYS 80 3.765 -15.621 -5.398 658 HB2 LYS 80 HB2 LYS 80 5.098 -14.286 -3.573 659 HB3 LYS 80 HB3 LYS 80 6.538 -14.882 -4.379 660 HG2 LYS 80 HG2 LYS 80 4.393 -13.363 -5.874 661 HG3 LYS 80 HG3 LYS 80 5.638 -12.518 -4.962 662 HD2 LYS 80 HD2 LYS 80 7.366 -13.243 -6.414 663 HD3 LYS 80 HD3 LYS 80 6.392 -14.551 -7.080 664 HE2 LYS 80 HE2 LYS 80 6.658 -12.705 -8.693 665 HE3 LYS 80 HE3 LYS 80 4.967 -12.935 -8.253 666 HZ1 LYS 80 HZ1 LYS 80 5.527 -10.614 -8.301 667 HZ2 LYS 80 HZ2 LYS 80 6.783 -10.842 -7.192 668 HZ3 LYS 80 HZ3 LYS 80 5.179 -11.072 -6.710 669 H LEU 81 H LEU 81 6.049 -17.968 -4.467 670 HA LEU 81 HA LEU 81 7.734 -18.261 -6.699 671 HB2 LEU 81 HB2 LEU 81 6.823 -20.285 -4.617 672 HB3 LEU 81 HB3 LEU 81 8.071 -20.608 -5.803 673 HG LEU 81 HG LEU 81 9.392 -18.660 -4.794 674 HD11 LEU 81 HD11 LEU 81 8.905 -17.968 -2.498 675 HD12 LEU 81 HD12 LEU 81 7.404 -18.894 -2.518 676 HD13 LEU 81 HD13 LEU 81 7.600 -17.508 -3.592 677 HD21 LEU 81 HD21 LEU 81 9.994 -20.989 -4.380 678 HD22 LEU 81 HD22 LEU 81 8.869 -21.065 -3.023 679 HD23 LEU 81 HD23 LEU 81 10.281 -20.008 -2.943 680 H GLU 82 H GLU 82 4.488 -19.514 -6.050 681 HA GLU 82 HA GLU 82 4.336 -20.778 -8.739 682 HB2 GLU 82 HB2 GLU 82 2.509 -22.162 -7.857 683 HB3 GLU 82 HB3 GLU 82 3.937 -22.339 -6.842 684 HG2 GLU 82 HG2 GLU 82 2.946 -20.767 -5.199 685 HG3 GLU 82 HG3 GLU 82 1.508 -20.632 -6.208 686 H GLY 83 H GLY 83 3.823 -17.868 -7.663 687 HA2 GLY 83 HA2 GLY 83 2.594 -16.189 -8.817 688 HA3 GLY 83 HA3 GLY 83 1.373 -17.375 -9.250 Start of MODEL 9 1 H1 SER 1 H1 SER 1 20.534 -8.030 -11.064 2 H2 SER 1 H2 SER 1 20.837 -9.257 -9.946 3 H3 SER 1 H3 SER 1 20.591 -7.676 -9.410 4 HA SER 1 HA SER 1 18.586 -9.382 -10.772 5 HB2 SER 1 HB2 SER 1 19.057 -10.169 -8.477 6 HB3 SER 1 HB3 SER 1 18.774 -8.547 -7.844 7 HG SER 1 HG SER 1 17.007 -10.407 -8.069 8 H HIS 2 H HIS 2 16.743 -8.339 -11.444 9 HA HIS 2 HA HIS 2 16.631 -5.381 -11.131 10 HB2 HIS 2 HB2 HIS 2 17.173 -6.091 -13.427 11 HB3 HIS 2 HB3 HIS 2 15.756 -7.132 -13.478 12 HD1 HIS 2 HD1 HIS 2 16.618 -3.433 -13.222 13 HD2 HIS 2 HD2 HIS 2 13.488 -5.878 -14.443 14 HE1 HIS 2 HE1 HIS 2 14.930 -1.897 -14.256 15 HE2 HIS 2 HE2 HIS 2 12.985 -3.377 -14.821 16 H MET 3 H MET 3 15.027 -4.806 -9.787 17 HA MET 3 HA MET 3 12.356 -6.090 -9.948 18 HB2 MET 3 HB2 MET 3 13.457 -4.169 -7.841 19 HB3 MET 3 HB3 MET 3 11.859 -4.908 -7.816 20 HG2 MET 3 HG2 MET 3 13.228 -6.101 -6.270 21 HG3 MET 3 HG3 MET 3 12.991 -7.153 -7.663 22 HE1 MET 3 HE1 MET 3 16.929 -4.926 -6.679 23 HE2 MET 3 HE2 MET 3 15.500 -4.921 -5.645 24 HE3 MET 3 HE3 MET 3 15.476 -4.066 -7.189 25 H GLN 4 H GLN 4 10.500 -4.402 -9.648 26 HA GLN 4 HA GLN 4 10.765 -2.264 -11.584 27 HB2 GLN 4 HB2 GLN 4 8.372 -1.840 -11.200 28 HB3 GLN 4 HB3 GLN 4 8.675 -3.542 -11.512 29 HG2 GLN 4 HG2 GLN 4 8.484 -3.999 -9.071 30 HG3 GLN 4 HG3 GLN 4 8.105 -2.300 -8.800 31 HE21 GLN 4 HE21 GLN 4 6.062 -2.703 -7.975 32 HE22 GLN 4 HE22 GLN 4 4.760 -3.319 -8.919 33 HA PRO 5 HA PRO 5 12.174 0.624 -8.454 34 HB2 PRO 5 HB2 PRO 5 12.501 2.832 -9.960 35 HB3 PRO 5 HB3 PRO 5 13.454 1.371 -10.265 36 HG2 PRO 5 HG2 PRO 5 10.977 2.342 -11.694 37 HG3 PRO 5 HG3 PRO 5 12.500 1.742 -12.385 38 HD2 PRO 5 HD2 PRO 5 10.243 0.178 -12.069 39 HD3 PRO 5 HD3 PRO 5 11.894 -0.483 -12.091 40 H GLY 6 H GLY 6 9.109 0.345 -8.794 41 HA2 GLY 6 HA2 GLY 6 7.999 2.962 -8.290 42 HA3 GLY 6 HA3 GLY 6 7.176 1.420 -8.138 43 H LYS 7 H LYS 7 8.634 3.983 -6.444 44 HA LYS 7 HA LYS 7 9.367 2.631 -4.039 45 HB2 LYS 7 HB2 LYS 7 9.783 4.793 -3.038 46 HB3 LYS 7 HB3 LYS 7 10.427 4.767 -4.668 47 HG2 LYS 7 HG2 LYS 7 7.808 6.094 -3.904 48 HG3 LYS 7 HG3 LYS 7 9.359 6.929 -3.966 49 HD2 LYS 7 HD2 LYS 7 9.482 6.183 -6.427 50 HD3 LYS 7 HD3 LYS 7 7.783 5.734 -6.264 51 HE2 LYS 7 HE2 LYS 7 7.937 7.958 -7.234 52 HE3 LYS 7 HE3 LYS 7 7.269 8.092 -5.607 53 HZ1 LYS 7 HZ1 LYS 7 10.095 8.613 -6.374 54 HZ2 LYS 7 HZ2 LYS 7 9.464 8.747 -4.809 55 HZ3 LYS 7 HZ3 LYS 7 8.929 9.788 -6.028 56 H TYR 8 H TYR 8 6.285 4.015 -5.080 57 HA TYR 8 HA TYR 8 5.050 3.849 -2.463 58 HB2 TYR 8 HB2 TYR 8 3.846 4.129 -5.241 59 HB3 TYR 8 HB3 TYR 8 2.866 4.054 -3.783 60 HD1 TYR 8 HD1 TYR 8 2.953 5.934 -2.110 61 HD2 TYR 8 HD2 TYR 8 5.038 6.178 -5.838 62 HE1 TYR 8 HE1 TYR 8 3.153 8.370 -1.839 63 HE2 TYR 8 HE2 TYR 8 5.238 8.613 -5.561 64 HH TYR 8 HH TYR 8 4.051 10.448 -4.346 65 H SER 9 H SER 9 5.307 1.700 -5.289 66 HA SER 9 HA SER 9 3.698 -0.435 -4.387 67 HB2 SER 9 HB2 SER 9 6.241 -0.568 -6.074 68 HB3 SER 9 HB3 SER 9 5.056 -1.867 -5.909 69 HG SER 9 HG SER 9 3.542 -0.569 -6.941 70 H GLN 10 H GLN 10 7.144 0.249 -3.895 71 HA GLN 10 HA GLN 10 7.782 -1.928 -2.214 72 HB2 GLN 10 HB2 GLN 10 9.458 -0.505 -3.396 73 HB3 GLN 10 HB3 GLN 10 9.045 0.844 -2.343 74 HG2 GLN 10 HG2 GLN 10 9.883 -0.407 -0.394 75 HG3 GLN 10 HG3 GLN 10 10.266 -1.782 -1.429 76 HE21 GLN 10 HE21 GLN 10 12.043 -1.617 -2.859 77 HE22 GLN 10 HE22 GLN 10 13.254 -0.405 -2.663 78 H LEU 11 H LEU 11 6.528 1.321 -1.519 79 HA LEU 11 HA LEU 11 6.714 1.355 1.278 80 HB2 LEU 11 HB2 LEU 11 6.240 3.355 -0.094 81 HB3 LEU 11 HB3 LEU 11 4.664 2.707 -0.509 82 HG LEU 11 HG LEU 11 3.975 2.877 1.894 83 HD11 LEU 11 HD11 LEU 11 6.656 4.240 2.311 84 HD12 LEU 11 HD12 LEU 11 6.150 2.689 2.987 85 HD13 LEU 11 HD13 LEU 11 5.337 4.170 3.482 86 HD21 LEU 11 HD21 LEU 11 4.943 5.492 0.689 87 HD22 LEU 11 HD22 LEU 11 3.718 5.321 1.951 88 HD23 LEU 11 HD23 LEU 11 3.411 4.686 0.337 89 H VAL 12 H VAL 12 4.069 0.127 -0.799 90 HA VAL 12 HA VAL 12 2.227 -0.546 1.254 91 HB VAL 12 HB VAL 12 2.551 -1.858 -1.489 92 HG11 VAL 12 HG11 VAL 12 1.239 -3.304 0.009 93 HG12 VAL 12 HG12 VAL 12 0.189 -2.597 -1.215 94 HG13 VAL 12 HG13 VAL 12 0.182 -1.953 0.429 95 HG21 VAL 12 HG21 VAL 12 2.124 0.567 -1.659 96 HG22 VAL 12 HG22 VAL 12 0.709 0.412 -0.618 97 HG23 VAL 12 HG23 VAL 12 0.721 -0.347 -2.212 98 H VAL 13 H VAL 13 4.758 -2.468 -0.351 99 HA VAL 13 HA VAL 13 4.476 -4.909 1.031 100 HB VAL 13 HB VAL 13 6.992 -3.654 -0.176 101 HG11 VAL 13 HG11 VAL 13 7.911 -5.968 -0.274 102 HG12 VAL 13 HG12 VAL 13 6.513 -6.552 0.636 103 HG13 VAL 13 HG13 VAL 13 7.649 -5.424 1.382 104 HG21 VAL 13 HG21 VAL 13 6.499 -5.064 -2.157 105 HG22 VAL 13 HG22 VAL 13 5.176 -3.947 -1.825 106 HG23 VAL 13 HG23 VAL 13 5.021 -5.648 -1.384 107 H GLU 14 H GLU 14 6.360 -2.007 1.814 108 HA GLU 14 HA GLU 14 7.626 -2.960 4.179 109 HB2 GLU 14 HB2 GLU 14 7.126 -0.185 3.055 110 HB3 GLU 14 HB3 GLU 14 7.940 -0.415 4.594 111 HG2 GLU 14 HG2 GLU 14 8.896 -1.497 1.929 112 HG3 GLU 14 HG3 GLU 14 9.521 -0.065 2.738 113 H THR 15 H THR 15 4.546 -1.357 3.577 114 HA THR 15 HA THR 15 3.824 -0.735 6.253 115 HB THR 15 HB THR 15 2.123 -1.214 3.771 116 HG1 THR 15 HG1 THR 15 2.989 0.703 3.432 117 HG21 THR 15 HG21 THR 15 1.202 -0.161 6.469 118 HG22 THR 15 HG22 THR 15 0.680 -1.659 5.701 119 HG23 THR 15 HG23 THR 15 0.252 -0.109 4.982 120 H ILE 16 H ILE 16 2.913 -3.491 4.152 121 HA ILE 16 HA ILE 16 1.329 -4.843 6.086 122 HB ILE 16 HB ILE 16 2.618 -5.943 3.543 123 HG12 ILE 16 HG12 ILE 16 -0.200 -4.816 3.973 124 HG13 ILE 16 HG13 ILE 16 1.110 -3.964 3.166 125 HG21 ILE 16 HG21 ILE 16 0.872 -7.706 3.599 126 HG22 ILE 16 HG22 ILE 16 0.300 -7.096 5.155 127 HG23 ILE 16 HG23 ILE 16 1.917 -7.790 5.017 128 HD11 ILE 16 HD11 ILE 16 1.104 -5.665 1.391 129 HD12 ILE 16 HD12 ILE 16 -0.453 -4.859 1.566 130 HD13 ILE 16 HD13 ILE 16 -0.234 -6.489 2.200 131 H ARG 17 H ARG 17 4.775 -5.108 5.223 132 HA ARG 17 HA ARG 17 5.380 -7.391 6.803 133 HB2 ARG 17 HB2 ARG 17 6.886 -6.561 5.007 134 HB3 ARG 17 HB3 ARG 17 7.268 -5.143 5.979 135 HG2 ARG 17 HG2 ARG 17 8.376 -6.504 7.654 136 HG3 ARG 17 HG3 ARG 17 7.831 -7.992 6.882 137 HD2 ARG 17 HD2 ARG 17 10.171 -7.658 6.368 138 HD3 ARG 17 HD3 ARG 17 9.233 -7.431 4.895 139 HE ARG 17 HE ARG 17 9.502 -4.988 5.260 140 HH11 ARG 17 HH11 ARG 17 11.780 -7.082 6.806 141 HH12 ARG 17 HH12 ARG 17 13.033 -5.893 6.788 142 HH21 ARG 17 HH21 ARG 17 11.135 -3.499 5.249 143 HH22 ARG 17 HH22 ARG 17 12.680 -3.907 5.918 144 H ARG 18 H ARG 18 5.458 -3.894 7.599 145 HA ARG 18 HA ARG 18 6.434 -4.252 10.283 146 HB2 ARG 18 HB2 ARG 18 5.149 -1.890 8.871 147 HB3 ARG 18 HB3 ARG 18 5.613 -1.819 10.573 148 HG2 ARG 18 HG2 ARG 18 7.948 -2.358 9.952 149 HG3 ARG 18 HG3 ARG 18 7.478 -2.391 8.254 150 HD2 ARG 18 HD2 ARG 18 6.918 -0.000 8.341 151 HD3 ARG 18 HD3 ARG 18 7.312 0.041 10.064 152 HE ARG 18 HE ARG 18 9.589 -0.201 9.558 153 HH11 ARG 18 HH11 ARG 18 7.715 0.090 6.669 154 HH12 ARG 18 HH12 ARG 18 9.109 0.247 5.663 155 HH21 ARG 18 HH21 ARG 18 11.350 -0.022 8.236 156 HH22 ARG 18 HH22 ARG 18 11.128 0.179 6.531 157 H LEU 19 H LEU 19 3.222 -4.296 8.884 158 HA LEU 19 HA LEU 19 1.822 -4.393 11.410 159 HB2 LEU 19 HB2 LEU 19 0.943 -5.208 8.606 160 HB3 LEU 19 HB3 LEU 19 -0.125 -5.119 10.003 161 HG LEU 19 HG LEU 19 1.375 -2.729 8.846 162 HD11 LEU 19 HD11 LEU 19 -1.558 -3.423 8.543 163 HD12 LEU 19 HD12 LEU 19 -0.338 -3.470 7.270 164 HD13 LEU 19 HD13 LEU 19 -0.783 -1.930 8.001 165 HD21 LEU 19 HD21 LEU 19 -0.755 -2.838 11.011 166 HD22 LEU 19 HD22 LEU 19 -0.038 -1.373 10.336 167 HD23 LEU 19 HD23 LEU 19 0.962 -2.494 11.251 168 H GLY 20 H GLY 20 3.442 -6.698 9.334 169 HA2 GLY 20 HA2 GLY 20 4.119 -8.876 9.767 170 HA3 GLY 20 HA3 GLY 20 3.188 -8.865 11.257 171 H GLU 21 H GLU 21 0.748 -8.717 10.843 172 HA GLU 21 HA GLU 21 -1.170 -9.642 10.261 173 HB2 GLU 21 HB2 GLU 21 0.080 -8.828 7.691 174 HB3 GLU 21 HB3 GLU 21 -1.243 -9.978 7.505 175 HG2 GLU 21 HG2 GLU 21 -1.375 -7.291 8.891 176 HG3 GLU 21 HG3 GLU 21 -2.026 -7.689 7.310 177 H ARG 22 H ARG 22 -2.334 -11.329 8.940 178 HA ARG 22 HA ARG 22 -0.895 -13.853 8.490 179 HB2 ARG 22 HB2 ARG 22 -1.801 -13.990 10.802 180 HB3 ARG 22 HB3 ARG 22 -3.388 -13.504 10.222 181 HG2 ARG 22 HG2 ARG 22 -3.438 -15.629 8.843 182 HG3 ARG 22 HG3 ARG 22 -1.956 -16.114 9.667 183 HD2 ARG 22 HD2 ARG 22 -4.648 -15.571 10.961 184 HD3 ARG 22 HD3 ARG 22 -3.893 -17.153 10.735 185 HE ARG 22 HE ARG 22 -2.033 -16.068 12.212 186 HH11 ARG 22 HH11 ARG 22 -5.449 -15.670 12.667 187 HH12 ARG 22 HH12 ARG 22 -5.288 -15.426 14.371 188 HH21 ARG 22 HH21 ARG 22 -1.880 -15.774 14.391 189 HH22 ARG 22 HH22 ARG 22 -3.305 -15.485 15.332 190 H ASN 23 H ASN 23 -3.958 -12.054 8.344 191 HA ASN 23 HA ASN 23 -4.968 -13.651 6.101 192 HB2 ASN 23 HB2 ASN 23 -6.437 -13.282 8.054 193 HB3 ASN 23 HB3 ASN 23 -6.330 -11.540 7.819 194 HD21 ASN 23 HD21 ASN 23 -7.498 -14.537 6.372 195 HD22 ASN 23 HD22 ASN 23 -8.722 -13.798 5.403 196 H GLY 24 H GLY 24 -4.219 -10.254 6.860 197 HA2 GLY 24 HA2 GLY 24 -3.228 -9.091 4.781 198 HA3 GLY 24 HA3 GLY 24 -4.819 -9.402 4.102 199 H SER 25 H SER 25 -3.483 -6.817 4.633 200 HA SER 25 HA SER 25 -5.289 -5.580 6.636 201 HB2 SER 25 HB2 SER 25 -2.758 -4.494 5.328 202 HB3 SER 25 HB3 SER 25 -3.751 -3.613 6.490 203 HG SER 25 HG SER 25 -3.240 -5.954 7.567 204 H SER 26 H SER 26 -6.818 -4.112 6.025 205 HA SER 26 HA SER 26 -7.749 -4.028 3.354 206 HB2 SER 26 HB2 SER 26 -9.443 -2.471 4.160 207 HB3 SER 26 HB3 SER 26 -9.190 -3.716 5.383 208 HG SER 26 HG SER 26 -8.845 -2.098 6.685 209 H LEU 27 H LEU 27 -7.988 -2.148 1.902 210 HA LEU 27 HA LEU 27 -5.697 -0.612 1.421 211 HB2 LEU 27 HB2 LEU 27 -7.396 -0.968 -0.303 212 HB3 LEU 27 HB3 LEU 27 -8.581 -0.063 0.624 213 HG LEU 27 HG LEU 27 -7.288 2.034 0.254 214 HD11 LEU 27 HD11 LEU 27 -5.427 0.362 -1.461 215 HD12 LEU 27 HD12 LEU 27 -5.022 1.161 0.059 216 HD13 LEU 27 HD13 LEU 27 -5.429 2.125 -1.355 217 HD21 LEU 27 HD21 LEU 27 -7.939 0.577 -2.330 218 HD22 LEU 27 HD22 LEU 27 -7.786 2.324 -2.133 219 HD23 LEU 27 HD23 LEU 27 -9.083 1.461 -1.315 220 H ALA 28 H ALA 28 -8.517 0.140 3.415 221 HA ALA 28 HA ALA 28 -7.977 2.817 4.112 222 HB1 ALA 28 HB1 ALA 28 -9.344 0.669 5.768 223 HB2 ALA 28 HB2 ALA 28 -10.127 1.690 4.561 224 HB3 ALA 28 HB3 ALA 28 -9.465 2.411 6.030 225 H LYS 29 H LYS 29 -6.975 -0.236 5.718 226 HA LYS 29 HA LYS 29 -5.585 0.952 7.899 227 HB2 LYS 29 HB2 LYS 29 -6.449 -1.356 8.016 228 HB3 LYS 29 HB3 LYS 29 -5.361 -1.858 6.730 229 HG2 LYS 29 HG2 LYS 29 -4.538 -2.603 8.926 230 HG3 LYS 29 HG3 LYS 29 -3.415 -1.457 8.185 231 HD2 LYS 29 HD2 LYS 29 -4.295 0.359 9.621 232 HD3 LYS 29 HD3 LYS 29 -5.453 -0.763 10.342 233 HE2 LYS 29 HE2 LYS 29 -2.433 -0.993 10.525 234 HE3 LYS 29 HE3 LYS 29 -3.488 -0.379 11.796 235 HZ1 LYS 29 HZ1 LYS 29 -4.554 -2.541 11.898 236 HZ2 LYS 29 HZ2 LYS 29 -2.893 -2.674 12.170 237 HZ3 LYS 29 HZ3 LYS 29 -3.541 -3.127 10.684 238 H ILE 30 H ILE 30 -4.433 -0.427 4.816 239 HA ILE 30 HA ILE 30 -1.667 -0.105 5.129 240 HB ILE 30 HB ILE 30 -3.343 -0.067 2.574 241 HG12 ILE 30 HG12 ILE 30 -1.763 -2.339 3.880 242 HG13 ILE 30 HG13 ILE 30 -3.513 -2.170 3.905 243 HG21 ILE 30 HG21 ILE 30 -0.320 -0.403 2.787 244 HG22 ILE 30 HG22 ILE 30 -1.168 0.970 2.075 245 HG23 ILE 30 HG23 ILE 30 -1.273 -0.616 1.315 246 HD11 ILE 30 HD11 ILE 30 -2.830 -3.844 2.309 247 HD12 ILE 30 HD12 ILE 30 -1.807 -2.683 1.467 248 HD13 ILE 30 HD13 ILE 30 -3.561 -2.480 1.461 249 H TYR 31 H TYR 31 -4.101 2.120 3.804 250 HA TYR 31 HA TYR 31 -2.428 4.289 3.143 251 HB2 TYR 31 HB2 TYR 31 -4.742 4.079 2.324 252 HB3 TYR 31 HB3 TYR 31 -5.363 4.245 3.960 253 HD1 TYR 31 HD2 TYR 31 -3.362 6.109 1.379 254 HD2 TYR 31 HD1 TYR 31 -5.969 6.406 4.753 255 HE1 TYR 31 HE2 TYR 31 -3.519 8.538 1.050 256 HE2 TYR 31 HE1 TYR 31 -6.118 8.827 4.424 257 HH TYR 31 HH TYR 31 -5.073 10.619 3.366 258 H THR 32 H THR 32 -4.192 3.524 6.158 259 HA THR 32 HA THR 32 -3.656 5.855 7.616 260 HB THR 32 HB THR 32 -4.014 3.071 8.825 261 HG1 THR 32 HG1 THR 32 -5.931 3.276 7.943 262 HG21 THR 32 HG21 THR 32 -4.915 4.283 10.794 263 HG22 THR 32 HG22 THR 32 -4.559 5.826 10.019 264 HG23 THR 32 HG23 THR 32 -3.237 4.757 10.485 265 H GLU 33 H GLU 33 -1.686 2.920 7.293 266 HA GLU 33 HA GLU 33 0.330 3.800 9.177 267 HB2 GLU 33 HB2 GLU 33 0.537 1.554 7.137 268 HB3 GLU 33 HB3 GLU 33 1.510 1.760 8.590 269 HG2 GLU 33 HG2 GLU 33 -1.430 1.034 8.437 270 HG3 GLU 33 HG3 GLU 33 -0.103 -0.001 8.954 271 H ALA 34 H ALA 34 -0.124 3.932 5.685 272 HA ALA 34 HA ALA 34 2.543 4.686 4.966 273 HB1 ALA 34 HB1 ALA 34 1.002 3.628 3.380 274 HB2 ALA 34 HB2 ALA 34 1.606 5.163 2.754 275 HB3 ALA 34 HB3 ALA 34 -0.029 5.058 3.413 276 H LYS 35 H LYS 35 -0.293 6.584 5.946 277 HA LYS 35 HA LYS 35 0.773 9.133 5.086 278 HB2 LYS 35 HB2 LYS 35 -1.177 10.121 6.290 279 HB3 LYS 35 HB3 LYS 35 -1.625 8.872 5.142 280 HG2 LYS 35 HG2 LYS 35 -1.786 7.257 7.055 281 HG3 LYS 35 HG3 LYS 35 -1.527 8.603 8.157 282 HD2 LYS 35 HD2 LYS 35 -3.786 8.727 6.145 283 HD3 LYS 35 HD3 LYS 35 -3.981 7.772 7.610 284 HE2 LYS 35 HE2 LYS 35 -4.955 9.967 7.944 285 HE3 LYS 35 HE3 LYS 35 -3.536 9.800 8.969 286 HZ1 LYS 35 HZ1 LYS 35 -2.287 11.122 7.394 287 HZ2 LYS 35 HZ2 LYS 35 -3.656 11.965 7.920 288 HZ3 LYS 35 HZ3 LYS 35 -3.640 11.253 6.388 289 H LYS 36 H LYS 36 2.060 7.274 7.304 290 HA LYS 36 HA LYS 36 2.646 9.335 9.331 291 HB2 LYS 36 HB2 LYS 36 3.400 6.388 9.267 292 HB3 LYS 36 HB3 LYS 36 3.617 7.481 10.634 293 HG2 LYS 36 HG2 LYS 36 1.202 7.701 10.899 294 HG3 LYS 36 HG3 LYS 36 0.920 6.734 9.446 295 HD2 LYS 36 HD2 LYS 36 1.968 4.778 10.552 296 HD3 LYS 36 HD3 LYS 36 2.230 5.741 12.010 297 HE2 LYS 36 HE2 LYS 36 -0.200 6.005 12.285 298 HE3 LYS 36 HE3 LYS 36 -0.482 5.098 10.797 299 HZ1 LYS 36 HZ1 LYS 36 -0.782 3.733 12.757 300 HZ2 LYS 36 HZ2 LYS 36 0.810 4.031 13.245 301 HZ3 LYS 36 HZ3 LYS 36 0.508 3.164 11.822 302 H VAL 37 H VAL 37 4.003 8.028 6.467 303 HA VAL 37 HA VAL 37 6.817 8.207 7.258 304 HB VAL 37 HB VAL 37 6.064 7.855 4.349 305 HG11 VAL 37 HG11 VAL 37 8.126 6.444 6.067 306 HG12 VAL 37 HG12 VAL 37 8.425 7.806 4.986 307 HG13 VAL 37 HG13 VAL 37 7.914 6.255 4.323 308 HG21 VAL 37 HG21 VAL 37 4.385 6.471 5.465 309 HG22 VAL 37 HG22 VAL 37 5.649 5.622 6.360 310 HG23 VAL 37 HG23 VAL 37 5.555 5.482 4.602 311 HA PRO 38 HA PRO 38 7.021 12.544 6.279 312 HB2 PRO 38 HB2 PRO 38 9.722 12.983 6.254 313 HB3 PRO 38 HB3 PRO 38 8.821 12.613 7.731 314 HG2 PRO 38 HG2 PRO 38 10.432 10.754 5.984 315 HG3 PRO 38 HG3 PRO 38 10.438 10.907 7.756 316 HD2 PRO 38 HD2 PRO 38 9.041 8.957 6.469 317 HD3 PRO 38 HD3 PRO 38 8.467 9.666 7.989 318 H TRP 39 H TRP 39 7.844 10.317 3.847 319 HA TRP 39 HA TRP 39 8.286 12.516 1.883 320 HB2 TRP 39 HB2 TRP 39 9.248 10.889 0.339 321 HB3 TRP 39 HB3 TRP 39 10.089 10.812 1.877 322 HD1 TRP 39 HD1 TRP 39 9.885 8.531 3.275 323 HE1 TRP 39 HE1 TRP 39 9.147 6.161 2.618 324 HE3 TRP 39 HE3 TRP 39 7.534 9.577 -1.158 325 HZ2 TRP 39 HZ2 TRP 39 7.763 4.895 0.537 326 HZ3 TRP 39 HZ3 TRP 39 6.526 7.718 -2.419 327 HH2 TRP 39 HH2 TRP 39 6.638 5.422 -1.587 328 H PHE 40 H PHE 40 5.972 10.167 2.925 329 HA PHE 40 HA PHE 40 4.619 9.617 0.513 330 HB2 PHE 40 HB2 PHE 40 4.310 8.286 2.543 331 HB3 PHE 40 HB3 PHE 40 3.589 9.662 3.374 332 HD1 PHE 40 HD2 PHE 40 3.095 7.544 0.319 333 HD2 PHE 40 HD1 PHE 40 1.233 9.815 3.419 334 HE1 PHE 40 HE2 PHE 40 0.886 6.814 -0.466 335 HE2 PHE 40 HE1 PHE 40 -0.980 9.079 2.629 336 HZ PHE 40 HZ PHE 40 -1.156 7.572 0.688 337 H ASP 41 H ASP 41 2.973 10.588 -0.595 338 HA ASP 41 HA ASP 41 2.226 13.367 -0.038 339 HB2 ASP 41 HB2 ASP 41 2.851 12.580 -2.359 340 HB3 ASP 41 HB3 ASP 41 1.413 11.566 -2.371 341 H GLN 42 H GLN 42 0.137 14.011 0.658 342 HA GLN 42 HA GLN 42 -1.350 11.886 2.012 343 HB2 GLN 42 HB2 GLN 42 -1.562 14.902 2.307 344 HB3 GLN 42 HB3 GLN 42 -2.367 13.719 3.329 345 HG2 GLN 42 HG2 GLN 42 0.638 14.055 3.098 346 HG3 GLN 42 HG3 GLN 42 -0.359 14.742 4.374 347 HE21 GLN 42 HE21 GLN 42 0.709 13.636 6.012 348 HE22 GLN 42 HE22 GLN 42 0.613 11.933 6.239 349 H GLN 43 H GLN 43 -1.842 13.611 -0.896 350 HA GLN 43 HA GLN 43 -4.760 13.003 -0.830 351 HB2 GLN 43 HB2 GLN 43 -3.320 15.356 -2.109 352 HB3 GLN 43 HB3 GLN 43 -4.948 14.892 -2.590 353 HG2 GLN 43 HG2 GLN 43 -4.190 15.596 0.262 354 HG3 GLN 43 HG3 GLN 43 -4.803 16.769 -0.903 355 HE21 GLN 43 HE21 GLN 43 -6.613 17.173 0.432 356 HE22 GLN 43 HE22 GLN 43 -7.926 16.062 0.573 357 H ASN 44 H ASN 44 -2.276 13.702 -3.321 358 HA ASN 44 HA ASN 44 -3.408 11.942 -5.274 359 HB2 ASN 44 HB2 ASN 44 -0.623 13.177 -5.150 360 HB3 ASN 44 HB3 ASN 44 -1.336 12.416 -6.567 361 HD21 ASN 44 HD21 ASN 44 -4.001 13.567 -6.174 362 HD22 ASN 44 HD22 ASN 44 -3.863 15.240 -6.564 363 H GLY 45 H GLY 45 -1.071 11.559 -2.690 364 HA2 GLY 45 HA2 GLY 45 0.192 9.148 -3.424 365 HA3 GLY 45 HA3 GLY 45 0.009 9.759 -1.793 366 H ARG 46 H ARG 46 -2.991 9.692 -1.988 367 HA ARG 46 HA ARG 46 -3.631 7.053 -1.205 368 HB2 ARG 46 HB2 ARG 46 -5.132 8.858 -0.606 369 HB3 ARG 46 HB3 ARG 46 -5.367 9.310 -2.288 370 HG2 ARG 46 HG2 ARG 46 -7.359 8.189 -1.459 371 HG3 ARG 46 HG3 ARG 46 -6.589 7.187 -2.687 372 HD2 ARG 46 HD2 ARG 46 -5.540 5.835 -0.838 373 HD3 ARG 46 HD3 ARG 46 -6.481 6.780 0.324 374 HE ARG 46 HE ARG 46 -7.633 5.013 -1.756 375 HH11 ARG 46 HH11 ARG 46 -7.888 6.477 1.369 376 HH12 ARG 46 HH12 ARG 46 -9.346 5.633 1.754 377 HH21 ARG 46 HH21 ARG 46 -9.485 3.964 -1.256 378 HH22 ARG 46 HH22 ARG 46 -10.241 4.217 0.280 379 H THR 47 H THR 47 -4.124 8.705 -4.327 380 HA THR 47 HA THR 47 -5.130 6.492 -5.796 381 HB THR 47 HB THR 47 -3.731 9.004 -6.839 382 HG1 THR 47 HG1 THR 47 -5.642 9.966 -6.677 383 HG21 THR 47 HG21 THR 47 -5.607 7.089 -8.295 384 HG22 THR 47 HG22 THR 47 -3.879 7.270 -8.602 385 HG23 THR 47 HG23 THR 47 -4.977 8.605 -8.942 386 H TYR 48 H TYR 48 -1.848 7.716 -5.237 387 HA TYR 48 HA TYR 48 -0.464 6.005 -7.023 388 HB2 TYR 48 HB2 TYR 48 0.538 7.339 -4.478 389 HB3 TYR 48 HB3 TYR 48 1.577 6.540 -5.656 390 HD1 TYR 48 HD1 TYR 48 -0.188 7.719 -8.081 391 HD2 TYR 48 HD2 TYR 48 1.816 9.445 -4.724 392 HE1 TYR 48 HE1 TYR 48 0.054 9.831 -9.305 393 HE2 TYR 48 HE2 TYR 48 2.054 11.555 -5.945 394 HH TYR 48 HH TYR 48 0.384 12.235 -8.811 395 H LEU 49 H LEU 49 -1.270 5.573 -3.533 396 HA LEU 49 HA LEU 49 -0.070 3.021 -3.195 397 HB2 LEU 49 HB2 LEU 49 -2.460 4.239 -1.777 398 HB3 LEU 49 HB3 LEU 49 -1.754 2.698 -1.319 399 HG LEU 49 HG LEU 49 -0.448 5.428 -1.107 400 HD11 LEU 49 HD11 LEU 49 -2.139 4.938 0.617 401 HD12 LEU 49 HD12 LEU 49 -0.519 5.013 1.300 402 HD13 LEU 49 HD13 LEU 49 -1.286 3.448 1.036 403 HD21 LEU 49 HD21 LEU 49 1.261 3.802 -1.780 404 HD22 LEU 49 HD22 LEU 49 0.766 2.707 -0.487 405 HD23 LEU 49 HD23 LEU 49 1.490 4.270 -0.096 406 H LYS 50 H LYS 50 -3.364 3.981 -4.089 407 HA LYS 50 HA LYS 50 -4.555 1.443 -4.215 408 HB2 LYS 50 HB2 LYS 50 -5.777 3.607 -4.089 409 HB3 LYS 50 HB3 LYS 50 -5.288 3.990 -5.729 410 HG2 LYS 50 HG2 LYS 50 -6.899 1.487 -5.198 411 HG3 LYS 50 HG3 LYS 50 -7.704 3.055 -5.221 412 HD2 LYS 50 HD2 LYS 50 -6.906 3.442 -7.533 413 HD3 LYS 50 HD3 LYS 50 -6.071 1.889 -7.513 414 HE2 LYS 50 HE2 LYS 50 -9.073 2.285 -7.285 415 HE3 LYS 50 HE3 LYS 50 -8.208 1.742 -8.722 416 HZ1 LYS 50 HZ1 LYS 50 -8.395 0.318 -6.129 417 HZ2 LYS 50 HZ2 LYS 50 -7.444 -0.189 -7.429 418 HZ3 LYS 50 HZ3 LYS 50 -9.127 -0.127 -7.585 419 H TYR 51 H TYR 51 -2.859 3.340 -6.689 420 HA TYR 51 HA TYR 51 -3.271 1.446 -8.821 421 HB2 TYR 51 HB2 TYR 51 -2.261 4.143 -8.628 422 HB3 TYR 51 HB3 TYR 51 -1.019 3.190 -9.426 423 HD1 TYR 51 HD1 TYR 51 -2.079 1.472 -11.286 424 HD2 TYR 51 HD2 TYR 51 -3.804 5.198 -10.078 425 HE1 TYR 51 HE1 TYR 51 -3.288 1.596 -13.410 426 HE2 TYR 51 HE2 TYR 51 -5.016 5.317 -12.216 427 HH TYR 51 HH TYR 51 -4.814 4.407 -14.516 428 H SER 52 H SER 52 -0.706 2.044 -6.485 429 HA SER 52 HA SER 52 1.252 0.289 -7.545 430 HB2 SER 52 HB2 SER 52 0.802 1.329 -4.732 431 HB3 SER 52 HB3 SER 52 2.143 0.262 -5.135 432 HG SER 52 HG SER 52 1.714 2.924 -5.818 433 H ILE 53 H ILE 53 -1.298 -0.235 -5.106 434 HA ILE 53 HA ILE 53 -0.820 -2.973 -4.583 435 HB ILE 53 HB ILE 53 -3.368 -1.307 -4.325 436 HG12 ILE 53 HG12 ILE 53 -1.325 -2.249 -2.248 437 HG13 ILE 53 HG13 ILE 53 -1.520 -0.603 -2.836 438 HG21 ILE 53 HG21 ILE 53 -2.914 -4.133 -3.286 439 HG22 ILE 53 HG22 ILE 53 -4.038 -3.658 -4.560 440 HG23 ILE 53 HG23 ILE 53 -4.307 -3.115 -2.905 441 HD11 ILE 53 HD11 ILE 53 -2.453 -0.857 -0.629 442 HD12 ILE 53 HD12 ILE 53 -3.511 -2.152 -1.184 443 HD13 ILE 53 HD13 ILE 53 -3.735 -0.509 -1.787 444 H LYS 54 H LYS 54 -2.973 -1.336 -6.896 445 HA LYS 54 HA LYS 54 -4.179 -3.500 -8.173 446 HB2 LYS 54 HB2 LYS 54 -4.676 -1.027 -8.448 447 HB3 LYS 54 HB3 LYS 54 -3.259 -0.888 -9.472 448 HG2 LYS 54 HG2 LYS 54 -5.550 -2.750 -10.162 449 HG3 LYS 54 HG3 LYS 54 -5.592 -1.039 -10.580 450 HD2 LYS 54 HD2 LYS 54 -3.495 -1.338 -11.901 451 HD3 LYS 54 HD3 LYS 54 -3.521 -3.062 -11.519 452 HE2 LYS 54 HE2 LYS 54 -5.623 -1.547 -13.103 453 HE3 LYS 54 HE3 LYS 54 -4.431 -2.670 -13.756 454 HZ1 LYS 54 HZ1 LYS 54 -6.603 -3.365 -11.852 455 HZ2 LYS 54 HZ2 LYS 54 -5.456 -4.444 -12.467 456 HZ3 LYS 54 HZ3 LYS 54 -6.580 -3.721 -13.505 457 H ALA 55 H ALA 55 -1.121 -1.861 -8.971 458 HA ALA 55 HA ALA 55 -0.314 -3.499 -11.123 459 HB1 ALA 55 HB1 ALA 55 0.573 -1.233 -10.761 460 HB2 ALA 55 HB2 ALA 55 1.879 -2.418 -10.883 461 HB3 ALA 55 HB3 ALA 55 1.406 -1.787 -9.304 462 H LEU 56 H LEU 56 0.324 -3.746 -7.626 463 HA LEU 56 HA LEU 56 2.261 -5.864 -7.834 464 HB2 LEU 56 HB2 LEU 56 0.693 -4.820 -5.462 465 HB3 LEU 56 HB3 LEU 56 1.897 -6.094 -5.334 466 HG LEU 56 HG LEU 56 2.434 -3.222 -6.196 467 HD11 LEU 56 HD11 LEU 56 1.967 -3.363 -3.812 468 HD12 LEU 56 HD12 LEU 56 3.675 -3.025 -4.078 469 HD13 LEU 56 HD13 LEU 56 3.160 -4.651 -3.623 470 HD21 LEU 56 HD21 LEU 56 4.404 -5.508 -5.841 471 HD22 LEU 56 HD22 LEU 56 4.822 -3.822 -6.156 472 HD23 LEU 56 HD23 LEU 56 3.946 -4.750 -7.371 473 H VAL 57 H VAL 57 -1.244 -5.772 -7.409 474 HA VAL 57 HA VAL 57 -1.619 -8.576 -6.952 475 HB VAL 57 HB VAL 57 -3.509 -6.390 -7.942 476 HG11 VAL 57 HG11 VAL 57 -4.249 -9.289 -7.376 477 HG12 VAL 57 HG12 VAL 57 -4.309 -8.485 -8.942 478 HG13 VAL 57 HG13 VAL 57 -5.402 -7.980 -7.655 479 HG21 VAL 57 HG21 VAL 57 -3.381 -7.907 -5.296 480 HG22 VAL 57 HG22 VAL 57 -4.555 -6.649 -5.702 481 HG23 VAL 57 HG23 VAL 57 -2.844 -6.247 -5.567 482 H GLN 58 H GLN 58 -1.429 -6.520 -9.836 483 HA GLN 58 HA GLN 58 -1.881 -8.505 -11.808 484 HB2 GLN 58 HB2 GLN 58 -2.088 -6.056 -12.177 485 HB3 GLN 58 HB3 GLN 58 -0.358 -5.869 -11.964 486 HG2 GLN 58 HG2 GLN 58 -1.181 -7.762 -14.108 487 HG3 GLN 58 HG3 GLN 58 -1.608 -6.080 -14.378 488 HE21 GLN 58 HE21 GLN 58 -0.204 -5.986 -16.161 489 HE22 GLN 58 HE22 GLN 58 1.509 -5.889 -15.978 490 H ASN 59 H ASN 59 1.080 -7.367 -10.168 491 HA ASN 59 HA ASN 59 2.835 -9.197 -11.611 492 HB2 ASN 59 HB2 ASN 59 3.296 -7.185 -9.381 493 HB3 ASN 59 HB3 ASN 59 4.551 -8.338 -9.820 494 HD21 ASN 59 HD21 ASN 59 3.022 -5.382 -10.679 495 HD22 ASN 59 HD22 ASN 59 3.974 -5.052 -12.072 496 H ASP 60 H ASP 60 0.605 -9.773 -9.275 497 HA ASP 60 HA ASP 60 0.123 -11.447 -7.848 498 HB2 ASP 60 HB2 ASP 60 2.570 -12.869 -8.982 499 HB3 ASP 60 HB3 ASP 60 1.277 -13.627 -8.056 500 H THR 61 H THR 61 2.408 -9.374 -7.228 501 HA THR 61 HA THR 61 3.968 -10.469 -5.105 502 HB THR 61 HB THR 61 3.227 -7.544 -5.588 503 HG1 THR 61 HG1 THR 61 5.149 -9.220 -6.782 504 HG21 THR 61 HG21 THR 61 4.248 -7.912 -3.357 505 HG22 THR 61 HG22 THR 61 5.344 -7.019 -4.411 506 HG23 THR 61 HG23 THR 61 5.616 -8.737 -4.111 507 H LEU 62 H LEU 62 0.874 -8.729 -5.260 508 HA LEU 62 HA LEU 62 0.360 -9.324 -2.402 509 HB2 LEU 62 HB2 LEU 62 -0.978 -7.270 -4.205 510 HB3 LEU 62 HB3 LEU 62 -1.460 -7.611 -2.550 511 HG LEU 62 HG LEU 62 1.163 -6.358 -3.445 512 HD11 LEU 62 HD11 LEU 62 -0.754 -4.831 -3.514 513 HD12 LEU 62 HD12 LEU 62 0.377 -4.378 -2.243 514 HD13 LEU 62 HD13 LEU 62 -1.128 -5.204 -1.828 515 HD21 LEU 62 HD21 LEU 62 1.715 -6.130 -1.052 516 HD22 LEU 62 HD22 LEU 62 1.617 -7.819 -1.538 517 HD23 LEU 62 HD23 LEU 62 0.293 -7.088 -0.627 518 H LEU 63 H LEU 63 -1.606 -10.180 -1.792 519 HA LEU 63 HA LEU 63 -3.223 -11.567 -3.844 520 HB2 LEU 63 HB2 LEU 63 -2.703 -12.263 -0.924 521 HB3 LEU 63 HB3 LEU 63 -3.887 -13.090 -1.927 522 HG LEU 63 HG LEU 63 -0.884 -13.043 -2.432 523 HD11 LEU 63 HD11 LEU 63 -2.629 -15.303 -1.405 524 HD12 LEU 63 HD12 LEU 63 -1.427 -14.405 -0.477 525 HD13 LEU 63 HD13 LEU 63 -0.914 -15.427 -1.817 526 HD21 LEU 63 HD21 LEU 63 -3.075 -14.532 -3.930 527 HD22 LEU 63 HD22 LEU 63 -1.341 -14.711 -4.200 528 HD23 LEU 63 HD23 LEU 63 -2.127 -13.173 -4.544 529 H GLN 64 H GLN 64 -5.244 -10.858 -4.093 530 HA GLN 64 HA GLN 64 -6.389 -8.835 -2.357 531 HB2 GLN 64 HB2 GLN 64 -6.684 -8.672 -4.813 532 HB3 GLN 64 HB3 GLN 64 -7.578 -10.193 -4.820 533 HG2 GLN 64 HG2 GLN 64 -9.325 -9.152 -3.388 534 HG3 GLN 64 HG3 GLN 64 -8.431 -7.633 -3.419 535 HE21 GLN 64 HE21 GLN 64 -10.181 -6.549 -4.348 536 HE22 GLN 64 HE22 GLN 64 -10.650 -6.779 -5.992 537 H VAL 65 H VAL 65 -7.080 -9.576 -0.467 538 HA VAL 65 HA VAL 65 -8.321 -12.204 -0.117 539 HB VAL 65 HB VAL 65 -7.836 -10.113 2.043 540 HG11 VAL 65 HG11 VAL 65 -7.663 -12.070 3.562 541 HG12 VAL 65 HG12 VAL 65 -8.005 -13.151 2.207 542 HG13 VAL 65 HG13 VAL 65 -9.230 -12.006 2.751 543 HG21 VAL 65 HG21 VAL 65 -5.714 -10.416 0.833 544 HG22 VAL 65 HG22 VAL 65 -5.815 -12.166 1.041 545 HG23 VAL 65 HG23 VAL 65 -5.613 -11.118 2.446 546 H LYS 66 H LYS 66 -9.346 -9.045 -0.793 547 HA LYS 66 HA LYS 66 -11.360 -8.244 -1.416 548 HB2 LYS 66 HB2 LYS 66 -12.399 -11.024 -0.750 549 HB3 LYS 66 HB3 LYS 66 -13.303 -9.799 -1.633 550 HG2 LYS 66 HG2 LYS 66 -11.720 -9.886 -3.487 551 HG3 LYS 66 HG3 LYS 66 -10.670 -10.988 -2.587 552 HD2 LYS 66 HD2 LYS 66 -13.513 -11.618 -3.489 553 HD3 LYS 66 HD3 LYS 66 -12.048 -12.155 -4.310 554 HE2 LYS 66 HE2 LYS 66 -11.391 -13.446 -2.311 555 HE3 LYS 66 HE3 LYS 66 -12.844 -12.903 -1.470 556 HZ1 LYS 66 HZ1 LYS 66 -13.120 -15.110 -2.381 557 HZ2 LYS 66 HZ2 LYS 66 -12.788 -14.549 -3.938 558 HZ3 LYS 66 HZ3 LYS 66 -14.178 -14.029 -3.132 559 H GLY 67 H GLY 67 -13.942 -8.438 -0.459 560 HA2 GLY 67 HA2 GLY 67 -13.938 -6.758 1.781 561 HA3 GLY 67 HA3 GLY 67 -15.339 -7.581 1.127 562 H THR 68 H THR 68 -12.886 -7.618 3.588 563 HA THR 68 HA THR 68 -13.641 -10.195 4.755 564 HB THR 68 HB THR 68 -11.801 -9.632 6.408 565 HG1 THR 68 HG1 THR 68 -10.478 -7.763 5.718 566 HG21 THR 68 HG21 THR 68 -11.269 -10.925 4.363 567 HG22 THR 68 HG22 THR 68 -9.931 -9.867 4.812 568 HG23 THR 68 HG23 THR 68 -10.995 -9.422 3.477 569 H GLY 69 H GLY 69 -15.549 -7.784 4.823 570 HA2 GLY 69 HA2 GLY 69 -17.212 -7.133 6.316 571 HA3 GLY 69 HA3 GLY 69 -16.384 -7.992 7.607 572 H ALA 70 H ALA 70 -15.032 -5.489 5.494 573 HA ALA 70 HA ALA 70 -15.160 -3.367 7.469 574 HB1 ALA 70 HB1 ALA 70 -12.729 -3.109 7.771 575 HB2 ALA 70 HB2 ALA 70 -12.434 -4.555 6.803 576 HB3 ALA 70 HB3 ALA 70 -13.267 -4.685 8.352 577 H ASN 71 H ASN 71 -13.295 -4.416 4.573 578 HA ASN 71 HA ASN 71 -14.113 -2.157 2.979 579 HB2 ASN 71 HB2 ASN 71 -12.464 -1.036 4.462 580 HB3 ASN 71 HB3 ASN 71 -11.242 -2.222 4.027 581 HD21 ASN 71 HD21 ASN 71 -13.073 0.540 2.914 582 HD22 ASN 71 HD22 ASN 71 -12.061 0.903 1.562 583 H GLY 72 H GLY 72 -11.121 -4.131 3.151 584 HA2 GLY 72 HA2 GLY 72 -11.474 -6.009 1.190 585 HA3 GLY 72 HA3 GLY 72 -11.057 -4.554 0.294 586 H SER 73 H SER 73 -9.791 -7.211 2.058 587 HA SER 73 HA SER 73 -7.401 -5.851 3.034 588 HB2 SER 73 HB2 SER 73 -8.345 -8.721 3.313 589 HB3 SER 73 HB3 SER 73 -6.840 -8.112 4.004 590 HG SER 73 HG SER 73 -8.089 -7.633 5.627 591 H PHE 74 H PHE 74 -5.275 -6.451 2.568 592 HA PHE 74 HA PHE 74 -4.648 -8.037 0.170 593 HB2 PHE 74 HB2 PHE 74 -3.615 -5.191 0.648 594 HB3 PHE 74 HB3 PHE 74 -3.127 -6.247 -0.675 595 HD1 PHE 74 HD1 PHE 74 -4.981 -7.017 -2.326 596 HD2 PHE 74 HD2 PHE 74 -5.465 -3.714 0.355 597 HE1 PHE 74 HE1 PHE 74 -6.825 -6.159 -3.706 598 HE2 PHE 74 HE2 PHE 74 -7.310 -2.865 -1.035 599 HZ PHE 74 HZ PHE 74 -7.991 -4.085 -3.068 600 H LYS 75 H LYS 75 -2.788 -9.206 0.428 601 HA LYS 75 HA LYS 75 -0.919 -8.616 2.660 602 HB2 LYS 75 HB2 LYS 75 -0.827 -11.057 3.218 603 HB3 LYS 75 HB3 LYS 75 -2.404 -10.345 3.527 604 HG2 LYS 75 HG2 LYS 75 -3.347 -11.346 1.546 605 HG3 LYS 75 HG3 LYS 75 -1.766 -11.921 1.011 606 HD2 LYS 75 HD2 LYS 75 -3.297 -12.870 3.464 607 HD3 LYS 75 HD3 LYS 75 -3.104 -13.760 1.953 608 HE2 LYS 75 HE2 LYS 75 -0.683 -13.889 2.342 609 HE3 LYS 75 HE3 LYS 75 -0.861 -12.989 3.848 610 HZ1 LYS 75 HZ1 LYS 75 -1.986 -15.668 3.248 611 HZ2 LYS 75 HZ2 LYS 75 -2.288 -14.795 4.666 612 HZ3 LYS 75 HZ3 LYS 75 -0.718 -15.315 4.313 613 H LEU 76 H LEU 76 1.143 -9.847 2.466 614 HA LEU 76 HA LEU 76 2.250 -9.776 -0.185 615 HB2 LEU 76 HB2 LEU 76 3.431 -10.829 2.417 616 HB3 LEU 76 HB3 LEU 76 4.338 -10.569 0.932 617 HG LEU 76 HG LEU 76 2.981 -8.378 2.562 618 HD11 LEU 76 HD11 LEU 76 5.931 -9.032 2.323 619 HD12 LEU 76 HD12 LEU 76 4.919 -9.275 3.748 620 HD13 LEU 76 HD13 LEU 76 5.243 -7.643 3.172 621 HD21 LEU 76 HD21 LEU 76 4.762 -8.135 0.110 622 HD22 LEU 76 HD22 LEU 76 4.154 -6.794 1.081 623 HD23 LEU 76 HD23 LEU 76 3.029 -7.802 0.180 624 H ASN 77 H ASN 77 2.486 -11.437 -1.631 625 HA ASN 77 HA ASN 77 1.312 -14.020 -1.133 626 HB2 ASN 77 HB2 ASN 77 1.223 -12.757 -3.355 627 HB3 ASN 77 HB3 ASN 77 2.916 -13.170 -3.590 628 HD21 ASN 77 HD21 ASN 77 0.952 -13.902 -5.388 629 HD22 ASN 77 HD22 ASN 77 0.761 -15.617 -5.377 630 H ARG 78 H ARG 78 2.389 -15.495 0.004 631 HA ARG 78 HA ARG 78 5.267 -15.552 0.297 632 HB2 ARG 78 HB2 ARG 78 3.464 -16.042 2.092 633 HB3 ARG 78 HB3 ARG 78 3.282 -17.616 1.332 634 HG2 ARG 78 HG2 ARG 78 5.653 -18.127 1.829 635 HG3 ARG 78 HG3 ARG 78 5.838 -16.537 2.575 636 HD2 ARG 78 HD2 ARG 78 3.967 -17.213 4.185 637 HD3 ARG 78 HD3 ARG 78 4.124 -18.851 3.540 638 HE ARG 78 HE ARG 78 6.173 -17.372 5.061 639 HH11 ARG 78 HH11 ARG 78 5.035 -20.400 3.840 640 HH12 ARG 78 HH12 ARG 78 6.124 -21.306 4.825 641 HH21 ARG 78 HH21 ARG 78 7.502 -18.552 6.326 642 HH22 ARG 78 HH22 ARG 78 7.501 -20.276 6.212 643 H LYS 79 H LYS 79 2.854 -17.272 -1.578 644 HA LYS 79 HA LYS 79 4.839 -19.225 -2.634 645 HB2 LYS 79 HB2 LYS 79 2.725 -20.118 -1.535 646 HB3 LYS 79 HB3 LYS 79 1.783 -19.321 -2.788 647 HG2 LYS 79 HG2 LYS 79 2.909 -20.746 -4.502 648 HG3 LYS 79 HG3 LYS 79 3.787 -21.569 -3.214 649 HD2 LYS 79 HD2 LYS 79 0.749 -21.512 -3.281 650 HD3 LYS 79 HD3 LYS 79 1.664 -22.716 -4.185 651 HE2 LYS 79 HE2 LYS 79 0.980 -23.690 -2.083 652 HE3 LYS 79 HE3 LYS 79 2.724 -23.459 -2.048 653 HZ1 LYS 79 HZ1 LYS 79 2.441 -21.543 -0.664 654 HZ2 LYS 79 HZ2 LYS 79 1.606 -22.838 0.029 655 HZ3 LYS 79 HZ3 LYS 79 0.758 -21.628 -0.789 656 H LYS 80 H LYS 80 4.697 -16.383 -3.472 657 HA LYS 80 HA LYS 80 3.672 -16.204 -6.117 658 HB2 LYS 80 HB2 LYS 80 4.570 -14.288 -4.628 659 HB3 LYS 80 HB3 LYS 80 6.184 -14.771 -5.126 660 HG2 LYS 80 HG2 LYS 80 4.039 -13.969 -7.122 661 HG3 LYS 80 HG3 LYS 80 5.091 -12.783 -6.352 662 HD2 LYS 80 HD2 LYS 80 7.056 -13.753 -7.389 663 HD3 LYS 80 HD3 LYS 80 6.134 -15.126 -7.991 664 HE2 LYS 80 HE2 LYS 80 6.543 -13.596 -9.820 665 HE3 LYS 80 HE3 LYS 80 4.823 -13.566 -9.435 666 HZ1 LYS 80 HZ1 LYS 80 5.759 -11.365 -9.818 667 HZ2 LYS 80 HZ2 LYS 80 6.800 -11.569 -8.500 668 HZ3 LYS 80 HZ3 LYS 80 5.127 -11.523 -8.259 669 H LEU 81 H LEU 81 6.518 -17.684 -4.769 670 HA LEU 81 HA LEU 81 8.297 -18.023 -6.830 671 HB2 LEU 81 HB2 LEU 81 7.562 -19.962 -4.614 672 HB3 LEU 81 HB3 LEU 81 9.007 -20.110 -5.596 673 HG LEU 81 HG LEU 81 8.385 -17.782 -3.726 674 HD11 LEU 81 HD11 LEU 81 10.411 -20.012 -3.385 675 HD12 LEU 81 HD12 LEU 81 8.918 -19.807 -2.462 676 HD13 LEU 81 HD13 LEU 81 10.208 -18.616 -2.320 677 HD21 LEU 81 HD21 LEU 81 10.888 -18.302 -5.373 678 HD22 LEU 81 HD22 LEU 81 10.673 -17.009 -4.192 679 HD23 LEU 81 HD23 LEU 81 9.696 -17.026 -5.655 680 H GLU 82 H GLU 82 5.573 -20.223 -6.076 681 HA GLU 82 HA GLU 82 4.381 -21.745 -7.216 682 HB2 GLU 82 HB2 GLU 82 5.071 -19.857 -9.486 683 HB3 GLU 82 HB3 GLU 82 3.981 -21.219 -9.708 684 HG2 GLU 82 HG2 GLU 82 3.535 -19.029 -7.655 685 HG3 GLU 82 HG3 GLU 82 2.854 -18.998 -9.282 686 H GLY 83 H GLY 83 6.714 -21.271 -9.903 687 HA2 GLY 83 HA2 GLY 83 6.974 -24.097 -10.367 688 HA3 GLY 83 HA3 GLY 83 7.833 -22.808 -11.192 Start of MODEL 10 1 H1 SER 1 H1 SER 1 11.869 11.110 -19.010 2 H2 SER 1 H2 SER 1 13.198 12.136 -18.814 3 H3 SER 1 H3 SER 1 11.634 12.781 -18.864 4 HA SER 1 HA SER 1 12.466 12.761 -16.622 5 HB2 SER 1 HB2 SER 1 10.232 10.745 -17.107 6 HB3 SER 1 HB3 SER 1 10.566 11.530 -15.559 7 HG SER 1 HG SER 1 9.470 13.167 -16.245 8 H HIS 2 H HIS 2 12.886 11.470 -14.694 9 HA HIS 2 HA HIS 2 13.784 8.749 -14.751 10 HB2 HIS 2 HB2 HIS 2 15.650 9.859 -16.034 11 HB3 HIS 2 HB3 HIS 2 15.931 10.942 -14.679 12 HD1 HIS 2 HD1 HIS 2 15.888 7.140 -15.200 13 HD2 HIS 2 HD2 HIS 2 18.043 10.080 -13.207 14 HE1 HIS 2 HE1 HIS 2 17.754 5.935 -14.044 15 HE2 HIS 2 HE2 HIS 2 18.919 7.710 -12.693 16 H MET 3 H MET 3 15.109 8.376 -12.515 17 HA MET 3 HA MET 3 15.646 8.767 -10.342 18 HB2 MET 3 HB2 MET 3 15.815 11.194 -10.770 19 HB3 MET 3 HB3 MET 3 14.085 11.374 -10.549 20 HG2 MET 3 HG2 MET 3 14.941 12.147 -8.538 21 HG3 MET 3 HG3 MET 3 14.545 10.482 -8.136 22 HE1 MET 3 HE1 MET 3 16.827 8.571 -8.806 23 HE2 MET 3 HE2 MET 3 16.278 8.804 -7.146 24 HE3 MET 3 HE3 MET 3 18.002 8.848 -7.522 25 H GLN 4 H GLN 4 12.255 9.232 -11.302 26 HA GLN 4 HA GLN 4 11.055 8.354 -8.855 27 HB2 GLN 4 HB2 GLN 4 9.923 8.449 -11.682 28 HB3 GLN 4 HB3 GLN 4 8.970 8.164 -10.227 29 HG2 GLN 4 HG2 GLN 4 9.548 10.423 -9.400 30 HG3 GLN 4 HG3 GLN 4 10.527 10.703 -10.843 31 HE21 GLN 4 HE21 GLN 4 9.253 12.527 -11.366 32 HE22 GLN 4 HE22 GLN 4 7.668 12.366 -12.029 33 HA PRO 5 HA PRO 5 12.082 4.011 -9.891 34 HB2 PRO 5 HB2 PRO 5 12.845 3.244 -7.481 35 HB3 PRO 5 HB3 PRO 5 13.685 4.599 -8.253 36 HG2 PRO 5 HG2 PRO 5 11.600 4.650 -6.078 37 HG3 PRO 5 HG3 PRO 5 13.059 5.646 -6.256 38 HD2 PRO 5 HD2 PRO 5 10.400 6.329 -7.091 39 HD3 PRO 5 HD3 PRO 5 11.892 7.233 -7.438 40 H GLY 6 H GLY 6 9.096 4.862 -8.791 41 HA2 GLY 6 HA2 GLY 6 7.154 3.723 -8.250 42 HA3 GLY 6 HA3 GLY 6 7.994 2.214 -8.586 43 H LYS 7 H LYS 7 8.419 4.810 -6.206 44 HA LYS 7 HA LYS 7 9.442 3.037 -4.199 45 HB2 LYS 7 HB2 LYS 7 10.231 5.385 -4.666 46 HB3 LYS 7 HB3 LYS 7 8.737 5.991 -3.963 47 HG2 LYS 7 HG2 LYS 7 9.359 5.136 -1.776 48 HG3 LYS 7 HG3 LYS 7 10.773 4.316 -2.448 49 HD2 LYS 7 HD2 LYS 7 11.774 6.497 -3.037 50 HD3 LYS 7 HD3 LYS 7 10.347 7.335 -2.423 51 HE2 LYS 7 HE2 LYS 7 12.245 7.395 -0.828 52 HE3 LYS 7 HE3 LYS 7 10.835 6.584 -0.155 53 HZ1 LYS 7 HZ1 LYS 7 12.858 5.402 0.363 54 HZ2 LYS 7 HZ2 LYS 7 13.235 5.241 -1.274 55 HZ3 LYS 7 HZ3 LYS 7 11.880 4.457 -0.637 56 H TYR 8 H TYR 8 6.261 4.372 -4.816 57 HA TYR 8 HA TYR 8 5.104 4.018 -2.225 58 HB2 TYR 8 HB2 TYR 8 3.835 4.203 -4.986 59 HB3 TYR 8 HB3 TYR 8 2.882 4.046 -3.515 60 HD1 TYR 8 HD2 TYR 8 5.142 6.310 -5.411 61 HD2 TYR 8 HD1 TYR 8 2.559 5.949 -2.022 62 HE1 TYR 8 HE2 TYR 8 5.181 8.753 -5.116 63 HE2 TYR 8 HE1 TYR 8 2.599 8.389 -1.732 64 HH TYR 8 HH TYR 8 4.159 10.299 -2.331 65 H SER 9 H SER 9 5.528 1.825 -4.996 66 HA SER 9 HA SER 9 3.917 -0.333 -4.085 67 HB2 SER 9 HB2 SER 9 6.374 -0.345 -5.885 68 HB3 SER 9 HB3 SER 9 5.327 -1.744 -5.637 69 HG SER 9 HG SER 9 3.658 -0.656 -6.629 70 H GLN 10 H GLN 10 7.365 0.383 -3.608 71 HA GLN 10 HA GLN 10 8.134 -1.854 -2.058 72 HB2 GLN 10 HB2 GLN 10 9.203 0.999 -1.844 73 HB3 GLN 10 HB3 GLN 10 10.049 -0.473 -1.366 74 HG2 GLN 10 HG2 GLN 10 10.220 -1.176 -3.701 75 HG3 GLN 10 HG3 GLN 10 9.249 0.206 -4.216 76 HE21 GLN 10 HE21 GLN 10 10.873 1.008 -5.566 77 HE22 GLN 10 HE22 GLN 10 12.325 1.720 -4.956 78 H LEU 11 H LEU 11 6.810 1.290 -1.178 79 HA LEU 11 HA LEU 11 6.866 1.172 1.611 80 HB2 LEU 11 HB2 LEU 11 6.468 3.222 0.333 81 HB3 LEU 11 HB3 LEU 11 4.954 2.584 -0.280 82 HG LEU 11 HG LEU 11 3.992 2.675 2.022 83 HD11 LEU 11 HD11 LEU 11 5.161 3.876 3.817 84 HD12 LEU 11 HD12 LEU 11 6.609 3.995 2.813 85 HD13 LEU 11 HD13 LEU 11 6.028 2.415 3.349 86 HD21 LEU 11 HD21 LEU 11 3.726 5.111 2.131 87 HD22 LEU 11 HD22 LEU 11 3.655 4.561 0.459 88 HD23 LEU 11 HD23 LEU 11 5.119 5.335 1.070 89 H VAL 12 H VAL 12 4.205 0.214 -0.614 90 HA VAL 12 HA VAL 12 2.255 -0.521 1.269 91 HB VAL 12 HB VAL 12 2.721 -1.583 -1.554 92 HG11 VAL 12 HG11 VAL 12 0.378 -2.426 -1.505 93 HG12 VAL 12 HG12 VAL 12 0.275 -2.029 0.212 94 HG13 VAL 12 HG13 VAL 12 1.404 -3.267 -0.344 95 HG21 VAL 12 HG21 VAL 12 2.204 0.827 -1.431 96 HG22 VAL 12 HG22 VAL 12 0.748 0.485 -0.497 97 HG23 VAL 12 HG23 VAL 12 0.869 -0.059 -2.172 98 H VAL 13 H VAL 13 4.676 -2.608 -0.316 99 HA VAL 13 HA VAL 13 4.033 -5.085 0.821 100 HB VAL 13 HB VAL 13 6.737 -3.992 -0.085 101 HG11 VAL 13 HG11 VAL 13 7.525 -6.347 -0.247 102 HG12 VAL 13 HG12 VAL 13 6.030 -6.900 0.512 103 HG13 VAL 13 HG13 VAL 13 7.162 -5.898 1.421 104 HG21 VAL 13 HG21 VAL 13 6.269 -5.285 -2.155 105 HG22 VAL 13 HG22 VAL 13 5.037 -4.061 -1.856 106 HG23 VAL 13 HG23 VAL 13 4.698 -5.758 -1.502 107 H GLU 14 H GLU 14 6.452 -2.714 1.949 108 HA GLU 14 HA GLU 14 7.114 -4.108 4.354 109 HB2 GLU 14 HB2 GLU 14 7.630 -1.225 3.529 110 HB3 GLU 14 HB3 GLU 14 8.342 -2.004 4.942 111 HG2 GLU 14 HG2 GLU 14 8.779 -2.820 2.044 112 HG3 GLU 14 HG3 GLU 14 9.921 -1.936 3.055 113 H THR 15 H THR 15 4.540 -1.912 3.567 114 HA THR 15 HA THR 15 3.868 -1.112 6.256 115 HB THR 15 HB THR 15 2.391 -0.932 3.610 116 HG1 THR 15 HG1 THR 15 3.549 0.834 3.616 117 HG21 THR 15 HG21 THR 15 1.336 -0.046 6.312 118 HG22 THR 15 HG22 THR 15 0.617 -1.253 5.247 119 HG23 THR 15 HG23 THR 15 0.660 0.438 4.756 120 H ILE 16 H ILE 16 2.666 -3.666 4.041 121 HA ILE 16 HA ILE 16 0.737 -4.766 5.834 122 HB ILE 16 HB ILE 16 2.227 -6.147 3.549 123 HG12 ILE 16 HG12 ILE 16 -0.493 -4.741 3.593 124 HG13 ILE 16 HG13 ILE 16 0.963 -4.130 2.817 125 HG21 ILE 16 HG21 ILE 16 0.359 -7.778 3.512 126 HG22 ILE 16 HG22 ILE 16 -0.356 -7.004 4.929 127 HG23 ILE 16 HG23 ILE 16 1.204 -7.819 5.061 128 HD11 ILE 16 HD11 ILE 16 -0.557 -5.014 1.184 129 HD12 ILE 16 HD12 ILE 16 -0.621 -6.568 2.011 130 HD13 ILE 16 HD13 ILE 16 0.879 -6.036 1.244 131 H ARG 17 H ARG 17 4.222 -5.226 5.461 132 HA ARG 17 HA ARG 17 4.525 -7.291 7.442 133 HB2 ARG 17 HB2 ARG 17 6.584 -5.282 6.436 134 HB3 ARG 17 HB3 ARG 17 6.937 -6.749 7.348 135 HG2 ARG 17 HG2 ARG 17 6.042 -8.098 5.466 136 HG3 ARG 17 HG3 ARG 17 5.751 -6.613 4.562 137 HD2 ARG 17 HD2 ARG 17 7.808 -7.575 3.762 138 HD3 ARG 17 HD3 ARG 17 8.218 -6.126 4.688 139 HE ARG 17 HE ARG 17 8.297 -8.611 6.185 140 HH11 ARG 17 HH11 ARG 17 10.191 -6.391 4.297 141 HH12 ARG 17 HH12 ARG 17 11.680 -6.993 4.949 142 HH21 ARG 17 HH21 ARG 17 10.202 -9.341 6.968 143 HH22 ARG 17 HH22 ARG 17 11.689 -8.637 6.423 144 H ARG 18 H ARG 18 4.568 -3.723 7.577 145 HA ARG 18 HA ARG 18 5.316 -3.307 10.274 146 HB2 ARG 18 HB2 ARG 18 3.669 -1.720 8.288 147 HB3 ARG 18 HB3 ARG 18 3.729 -1.177 9.957 148 HG2 ARG 18 HG2 ARG 18 6.204 -1.581 8.242 149 HG3 ARG 18 HG3 ARG 18 5.346 -0.041 8.400 150 HD2 ARG 18 HD2 ARG 18 6.692 -1.606 10.639 151 HD3 ARG 18 HD3 ARG 18 7.239 -0.076 9.940 152 HE ARG 18 HE ARG 18 4.807 0.617 10.778 153 HH11 ARG 18 HH11 ARG 18 7.258 -1.124 12.505 154 HH12 ARG 18 HH12 ARG 18 6.693 -0.568 14.038 155 HH21 ARG 18 HH21 ARG 18 4.112 1.271 12.725 156 HH22 ARG 18 HH22 ARG 18 4.943 0.779 14.162 157 H LEU 19 H LEU 19 2.112 -3.796 8.825 158 HA LEU 19 HA LEU 19 0.608 -3.855 11.259 159 HB2 LEU 19 HB2 LEU 19 0.001 -4.889 8.460 160 HB3 LEU 19 HB3 LEU 19 -1.185 -4.839 9.760 161 HG LEU 19 HG LEU 19 0.222 -2.350 8.696 162 HD11 LEU 19 HD11 LEU 19 -1.792 -1.820 7.440 163 HD12 LEU 19 HD12 LEU 19 -2.536 -3.343 7.927 164 HD13 LEU 19 HD13 LEU 19 -1.108 -3.348 6.886 165 HD21 LEU 19 HD21 LEU 19 -1.560 -1.121 9.849 166 HD22 LEU 19 HD22 LEU 19 -0.664 -2.128 10.983 167 HD23 LEU 19 HD23 LEU 19 -2.263 -2.637 10.426 168 H GLY 20 H GLY 20 2.184 -6.305 9.244 169 HA2 GLY 20 HA2 GLY 20 2.572 -8.553 9.461 170 HA3 GLY 20 HA3 GLY 20 2.388 -8.326 11.195 171 H GLU 21 H GLU 21 0.091 -7.979 8.479 172 HA GLU 21 HA GLU 21 -2.053 -9.035 10.032 173 HB2 GLU 21 HB2 GLU 21 -1.828 -7.520 7.591 174 HB3 GLU 21 HB3 GLU 21 -2.838 -8.911 7.240 175 HG2 GLU 21 HG2 GLU 21 -3.304 -6.842 9.414 176 HG3 GLU 21 HG3 GLU 21 -4.198 -7.005 7.903 177 H ARG 22 H ARG 22 -3.543 -10.680 9.337 178 HA ARG 22 HA ARG 22 -2.230 -13.184 8.420 179 HB2 ARG 22 HB2 ARG 22 -3.808 -14.277 10.164 180 HB3 ARG 22 HB3 ARG 22 -2.430 -13.376 10.790 181 HG2 ARG 22 HG2 ARG 22 -3.857 -11.450 11.288 182 HG3 ARG 22 HG3 ARG 22 -5.249 -12.257 10.569 183 HD2 ARG 22 HD2 ARG 22 -5.287 -13.907 12.347 184 HD3 ARG 22 HD3 ARG 22 -3.761 -13.305 13.000 185 HE ARG 22 HE ARG 22 -4.937 -11.740 14.145 186 HH11 ARG 22 HH11 ARG 22 -6.974 -12.654 11.469 187 HH12 ARG 22 HH12 ARG 22 -8.264 -11.628 11.982 188 HH21 ARG 22 HH21 ARG 22 -6.614 -10.455 14.752 189 HH22 ARG 22 HH22 ARG 22 -8.057 -10.398 13.800 190 H ASN 23 H ASN 23 -5.176 -11.255 8.562 191 HA ASN 23 HA ASN 23 -6.642 -13.076 6.742 192 HB2 ASN 23 HB2 ASN 23 -7.742 -12.523 8.908 193 HB3 ASN 23 HB3 ASN 23 -7.659 -10.809 8.526 194 HD21 ASN 23 HD21 ASN 23 -9.175 -9.942 7.137 195 HD22 ASN 23 HD22 ASN 23 -10.538 -10.814 6.550 196 H GLY 24 H GLY 24 -4.854 -10.181 6.734 197 HA2 GLY 24 HA2 GLY 24 -4.277 -9.285 4.557 198 HA3 GLY 24 HA3 GLY 24 -5.961 -9.342 4.105 199 H SER 25 H SER 25 -4.046 -7.153 4.082 200 HA SER 25 HA SER 25 -5.041 -5.226 6.065 201 HB2 SER 25 HB2 SER 25 -2.680 -5.065 4.127 202 HB3 SER 25 HB3 SER 25 -3.094 -3.854 5.344 203 HG SER 25 HG SER 25 -1.561 -5.962 5.637 204 H SER 26 H SER 26 -6.850 -4.211 5.311 205 HA SER 26 HA SER 26 -7.553 -3.789 2.585 206 HB2 SER 26 HB2 SER 26 -9.220 -3.802 4.419 207 HB3 SER 26 HB3 SER 26 -8.534 -2.314 5.068 208 HG SER 26 HG SER 26 -10.488 -2.347 3.515 209 H LEU 27 H LEU 27 -7.928 -1.564 1.613 210 HA LEU 27 HA LEU 27 -5.545 -0.154 1.216 211 HB2 LEU 27 HB2 LEU 27 -7.439 -0.178 -0.375 212 HB3 LEU 27 HB3 LEU 27 -8.398 0.785 0.735 213 HG LEU 27 HG LEU 27 -6.840 2.701 0.424 214 HD11 LEU 27 HD11 LEU 27 -5.412 0.935 -1.589 215 HD12 LEU 27 HD12 LEU 27 -4.758 1.537 -0.062 216 HD13 LEU 27 HD13 LEU 27 -5.136 2.666 -1.360 217 HD21 LEU 27 HD21 LEU 27 -7.499 3.292 -1.865 218 HD22 LEU 27 HD22 LEU 27 -8.835 2.535 -1.004 219 HD23 LEU 27 HD23 LEU 27 -7.920 1.610 -2.198 220 H ALA 28 H ALA 28 -8.130 0.473 3.548 221 HA ALA 28 HA ALA 28 -7.219 3.007 4.529 222 HB1 ALA 28 HB1 ALA 28 -8.923 0.897 5.905 223 HB2 ALA 28 HB2 ALA 28 -9.517 2.202 4.878 224 HB3 ALA 28 HB3 ALA 28 -8.745 2.577 6.418 225 H LYS 29 H LYS 29 -6.704 -0.358 5.709 226 HA LYS 29 HA LYS 29 -5.075 0.210 7.937 227 HB2 LYS 29 HB2 LYS 29 -5.458 -2.236 6.187 228 HB3 LYS 29 HB3 LYS 29 -4.188 -2.241 7.402 229 HG2 LYS 29 HG2 LYS 29 -7.125 -1.773 7.983 230 HG3 LYS 29 HG3 LYS 29 -6.280 -3.311 8.186 231 HD2 LYS 29 HD2 LYS 29 -4.744 -2.207 9.832 232 HD3 LYS 29 HD3 LYS 29 -5.667 -0.712 9.664 233 HE2 LYS 29 HE2 LYS 29 -6.331 -1.870 11.688 234 HE3 LYS 29 HE3 LYS 29 -7.677 -1.893 10.545 235 HZ1 LYS 29 HZ1 LYS 29 -7.026 -4.168 9.951 236 HZ2 LYS 29 HZ2 LYS 29 -7.414 -4.031 11.588 237 HZ3 LYS 29 HZ3 LYS 29 -5.796 -4.123 11.110 238 H ILE 30 H ILE 30 -4.202 -0.519 4.574 239 HA ILE 30 HA ILE 30 -1.402 -0.363 4.859 240 HB ILE 30 HB ILE 30 -3.159 -0.023 2.387 241 HG12 ILE 30 HG12 ILE 30 -1.520 -2.403 3.399 242 HG13 ILE 30 HG13 ILE 30 -3.269 -2.253 3.509 243 HG21 ILE 30 HG21 ILE 30 -0.128 -0.346 2.466 244 HG22 ILE 30 HG22 ILE 30 -1.011 1.085 1.931 245 HG23 ILE 30 HG23 ILE 30 -1.126 -0.412 1.009 246 HD11 ILE 30 HD11 ILE 30 -3.412 -2.335 1.058 247 HD12 ILE 30 HD12 ILE 30 -2.629 -3.761 1.739 248 HD13 ILE 30 HD13 ILE 30 -1.656 -2.508 0.972 249 H TYR 31 H TYR 31 -3.865 2.108 4.148 250 HA TYR 31 HA TYR 31 -2.124 4.263 3.605 251 HB2 TYR 31 HB2 TYR 31 -4.635 4.194 3.195 252 HB3 TYR 31 HB3 TYR 31 -4.868 4.470 4.916 253 HD1 TYR 31 HD2 TYR 31 -3.765 5.986 1.737 254 HD2 TYR 31 HD1 TYR 31 -4.421 6.697 5.897 255 HE1 TYR 31 HE2 TYR 31 -3.574 8.401 1.344 256 HE2 TYR 31 HE1 TYR 31 -4.216 9.118 5.519 257 HH TYR 31 HH TYR 31 -3.107 10.640 3.766 258 H THR 32 H THR 32 -3.440 3.046 6.676 259 HA THR 32 HA THR 32 -2.887 5.143 8.400 260 HB THR 32 HB THR 32 -2.773 2.190 9.155 261 HG1 THR 32 HG1 THR 32 -4.745 2.455 8.284 262 HG21 THR 32 HG21 THR 32 -3.438 4.631 10.862 263 HG22 THR 32 HG22 THR 32 -1.966 3.664 10.985 264 HG23 THR 32 HG23 THR 32 -3.529 2.952 11.395 265 H GLU 33 H GLU 33 -0.652 2.489 7.517 266 HA GLU 33 HA GLU 33 1.497 3.604 9.173 267 HB2 GLU 33 HB2 GLU 33 1.449 1.176 7.351 268 HB3 GLU 33 HB3 GLU 33 2.833 1.654 8.327 269 HG2 GLU 33 HG2 GLU 33 0.109 0.785 9.364 270 HG3 GLU 33 HG3 GLU 33 1.591 -0.173 9.384 271 H ALA 34 H ALA 34 0.578 3.451 5.786 272 HA ALA 34 HA ALA 34 3.138 4.228 4.709 273 HB1 ALA 34 HB1 ALA 34 1.625 2.774 3.464 274 HB2 ALA 34 HB2 ALA 34 1.959 4.245 2.549 275 HB3 ALA 34 HB3 ALA 34 0.417 4.058 3.389 276 H LYS 35 H LYS 35 0.530 6.053 6.030 277 HA LYS 35 HA LYS 35 0.978 8.471 4.502 278 HB2 LYS 35 HB2 LYS 35 -0.662 9.518 5.980 279 HB3 LYS 35 HB3 LYS 35 -1.246 7.962 5.403 280 HG2 LYS 35 HG2 LYS 35 -0.627 6.937 7.584 281 HG3 LYS 35 HG3 LYS 35 -0.098 8.525 8.159 282 HD2 LYS 35 HD2 LYS 35 -2.394 9.397 7.889 283 HD3 LYS 35 HD3 LYS 35 -2.931 7.832 7.273 284 HE2 LYS 35 HE2 LYS 35 -2.396 6.800 9.450 285 HE3 LYS 35 HE3 LYS 35 -1.859 8.365 10.063 286 HZ1 LYS 35 HZ1 LYS 35 -4.128 7.795 10.734 287 HZ2 LYS 35 HZ2 LYS 35 -4.610 7.776 9.111 288 HZ3 LYS 35 HZ3 LYS 35 -4.073 9.214 9.820 289 H LYS 36 H LYS 36 2.611 7.104 7.175 290 HA LYS 36 HA LYS 36 3.342 9.644 8.458 291 HB2 LYS 36 HB2 LYS 36 4.015 6.765 9.197 292 HB3 LYS 36 HB3 LYS 36 4.344 8.179 10.199 293 HG2 LYS 36 HG2 LYS 36 1.945 8.606 10.456 294 HG3 LYS 36 HG3 LYS 36 1.560 7.271 9.365 295 HD2 LYS 36 HD2 LYS 36 2.929 7.023 12.078 296 HD3 LYS 36 HD3 LYS 36 1.239 6.640 11.738 297 HE2 LYS 36 HE2 LYS 36 1.952 4.838 10.211 298 HE3 LYS 36 HE3 LYS 36 3.643 5.233 10.507 299 HZ1 LYS 36 HZ1 LYS 36 1.712 4.255 12.533 300 HZ2 LYS 36 HZ2 LYS 36 3.340 4.621 12.819 301 HZ3 LYS 36 HZ3 LYS 36 2.925 3.337 11.794 302 H VAL 37 H VAL 37 4.444 8.857 5.730 303 HA VAL 37 HA VAL 37 7.361 8.899 6.316 304 HB VAL 37 HB VAL 37 6.775 8.462 3.453 305 HG11 VAL 37 HG11 VAL 37 8.940 7.965 4.486 306 HG12 VAL 37 HG12 VAL 37 8.262 6.536 3.708 307 HG13 VAL 37 HG13 VAL 37 8.200 6.695 5.467 308 HG21 VAL 37 HG21 VAL 37 4.698 7.416 4.221 309 HG22 VAL 37 HG22 VAL 37 5.607 6.366 5.309 310 HG23 VAL 37 HG23 VAL 37 5.805 6.211 3.560 311 HA PRO 38 HA PRO 38 7.407 13.212 5.161 312 HB2 PRO 38 HB2 PRO 38 9.993 13.536 4.233 313 HB3 PRO 38 HB3 PRO 38 9.587 13.344 5.945 314 HG2 PRO 38 HG2 PRO 38 10.488 11.238 3.968 315 HG3 PRO 38 HG3 PRO 38 11.101 11.559 5.607 316 HD2 PRO 38 HD2 PRO 38 9.355 9.577 5.186 317 HD3 PRO 38 HD3 PRO 38 9.206 10.596 6.639 318 H TRP 39 H TRP 39 8.387 10.905 2.645 319 HA TRP 39 HA TRP 39 8.189 12.880 0.483 320 HB2 TRP 39 HB2 TRP 39 8.866 10.953 -0.994 321 HB3 TRP 39 HB3 TRP 39 10.013 11.309 0.289 322 HD1 TRP 39 HD1 TRP 39 10.388 9.435 2.169 323 HE1 TRP 39 HE1 TRP 39 9.771 6.947 2.284 324 HE3 TRP 39 HE3 TRP 39 7.010 9.220 -1.678 325 HZ2 TRP 39 HZ2 TRP 39 8.084 5.135 0.969 326 HZ3 TRP 39 HZ3 TRP 39 5.947 7.061 -2.181 327 HH2 TRP 39 HH2 TRP 39 6.473 5.060 -0.887 328 H PHE 40 H PHE 40 6.056 10.802 2.095 329 HA PHE 40 HA PHE 40 4.325 10.032 -0.053 330 HB2 PHE 40 HB2 PHE 40 4.464 8.830 2.135 331 HB3 PHE 40 HB3 PHE 40 3.732 10.216 2.935 332 HD1 PHE 40 HD2 PHE 40 3.127 7.537 0.427 333 HD2 PHE 40 HD1 PHE 40 1.323 10.484 2.946 334 HE1 PHE 40 HE2 PHE 40 0.910 6.594 -0.044 335 HE2 PHE 40 HE1 PHE 40 -0.896 9.528 2.465 336 HZ PHE 40 HZ PHE 40 -1.103 7.581 0.972 337 H ASP 41 H ASP 41 2.431 10.971 -0.783 338 HA ASP 41 HA ASP 41 1.819 13.748 0.037 339 HB2 ASP 41 HB2 ASP 41 2.275 13.479 -2.365 340 HB3 ASP 41 HB3 ASP 41 1.061 12.202 -2.486 341 H GLN 42 H GLN 42 0.060 14.076 1.293 342 HA GLN 42 HA GLN 42 -1.614 11.872 2.110 343 HB2 GLN 42 HB2 GLN 42 -1.709 14.825 2.841 344 HB3 GLN 42 HB3 GLN 42 -2.665 13.570 3.625 345 HG2 GLN 42 HG2 GLN 42 0.369 13.541 3.581 346 HG3 GLN 42 HG3 GLN 42 -0.566 14.338 4.842 347 HE21 GLN 42 HE21 GLN 42 0.378 12.953 6.392 348 HE22 GLN 42 HE22 GLN 42 -0.103 11.308 6.559 349 H GLN 43 H GLN 43 -1.892 14.228 -0.376 350 HA GLN 43 HA GLN 43 -4.809 14.314 -0.457 351 HB2 GLN 43 HB2 GLN 43 -2.906 15.315 -2.613 352 HB3 GLN 43 HB3 GLN 43 -4.561 15.838 -2.299 353 HG2 GLN 43 HG2 GLN 43 -3.815 16.911 -0.201 354 HG3 GLN 43 HG3 GLN 43 -2.165 16.361 -0.507 355 HE21 GLN 43 HE21 GLN 43 -1.276 18.430 -0.652 356 HE22 GLN 43 HE22 GLN 43 -1.636 19.520 -1.944 357 H ASN 44 H ASN 44 -2.433 13.532 -2.990 358 HA ASN 44 HA ASN 44 -4.350 11.808 -4.382 359 HB2 ASN 44 HB2 ASN 44 -1.628 12.855 -5.279 360 HB3 ASN 44 HB3 ASN 44 -2.820 12.057 -6.304 361 HD21 ASN 44 HD21 ASN 44 -1.587 14.816 -6.315 362 HD22 ASN 44 HD22 ASN 44 -2.937 15.886 -6.419 363 H GLY 45 H GLY 45 -1.759 11.428 -2.222 364 HA2 GLY 45 HA2 GLY 45 -0.527 9.036 -3.130 365 HA3 GLY 45 HA3 GLY 45 -0.553 9.623 -1.479 366 H ARG 46 H ARG 46 -3.607 9.565 -1.570 367 HA ARG 46 HA ARG 46 -4.235 6.955 -0.689 368 HB2 ARG 46 HB2 ARG 46 -5.633 8.960 -0.234 369 HB3 ARG 46 HB3 ARG 46 -6.040 9.078 -1.939 370 HG2 ARG 46 HG2 ARG 46 -7.929 8.121 -0.880 371 HG3 ARG 46 HG3 ARG 46 -7.138 6.797 -1.732 372 HD2 ARG 46 HD2 ARG 46 -7.810 5.972 0.412 373 HD3 ARG 46 HD3 ARG 46 -6.056 6.143 0.458 374 HE ARG 46 HE ARG 46 -6.864 8.489 1.502 375 HH11 ARG 46 HH11 ARG 46 -7.812 5.248 2.302 376 HH12 ARG 46 HH12 ARG 46 -8.100 5.652 3.959 377 HH21 ARG 46 HH21 ARG 46 -7.260 8.951 3.625 378 HH22 ARG 46 HH22 ARG 46 -7.802 7.700 4.690 379 H THR 47 H THR 47 -4.668 8.497 -3.895 380 HA THR 47 HA THR 47 -5.512 6.159 -5.325 381 HB THR 47 HB THR 47 -4.218 8.714 -6.406 382 HG1 THR 47 HG1 THR 47 -6.512 9.169 -6.918 383 HG21 THR 47 HG21 THR 47 -5.283 8.137 -8.569 384 HG22 THR 47 HG22 THR 47 -5.841 6.606 -7.894 385 HG23 THR 47 HG23 THR 47 -4.113 6.901 -8.082 386 H TYR 48 H TYR 48 -2.302 7.692 -4.784 387 HA TYR 48 HA TYR 48 -0.807 6.051 -6.556 388 HB2 TYR 48 HB2 TYR 48 0.100 7.604 -4.100 389 HB3 TYR 48 HB3 TYR 48 1.214 6.795 -5.195 390 HD1 TYR 48 HD1 TYR 48 -0.203 7.522 -7.821 391 HD2 TYR 48 HD2 TYR 48 0.842 9.876 -4.408 392 HE1 TYR 48 HE1 TYR 48 -0.067 9.519 -9.236 393 HE2 TYR 48 HE2 TYR 48 0.970 11.880 -5.829 394 HH TYR 48 HH TYR 48 -0.080 11.849 -9.157 395 H LEU 49 H LEU 49 -1.745 5.558 -3.159 396 HA LEU 49 HA LEU 49 -0.254 3.145 -2.787 397 HB2 LEU 49 HB2 LEU 49 -2.691 4.231 -1.347 398 HB3 LEU 49 HB3 LEU 49 -1.961 2.688 -0.925 399 HG LEU 49 HG LEU 49 -0.650 5.425 -0.704 400 HD11 LEU 49 HD11 LEU 49 -1.490 3.456 1.444 401 HD12 LEU 49 HD12 LEU 49 -2.289 4.980 1.050 402 HD13 LEU 49 HD13 LEU 49 -0.654 4.992 1.704 403 HD21 LEU 49 HD21 LEU 49 1.050 3.803 -1.381 404 HD22 LEU 49 HD22 LEU 49 0.560 2.700 -0.093 405 HD23 LEU 49 HD23 LEU 49 1.286 4.262 0.303 406 H LYS 50 H LYS 50 -3.713 3.743 -3.601 407 HA LYS 50 HA LYS 50 -4.492 1.073 -3.929 408 HB2 LYS 50 HB2 LYS 50 -6.091 2.940 -3.757 409 HB3 LYS 50 HB3 LYS 50 -5.591 3.548 -5.328 410 HG2 LYS 50 HG2 LYS 50 -6.686 0.744 -5.170 411 HG3 LYS 50 HG3 LYS 50 -7.816 2.084 -5.001 412 HD2 LYS 50 HD2 LYS 50 -5.914 1.839 -7.366 413 HD3 LYS 50 HD3 LYS 50 -7.530 1.124 -7.365 414 HE2 LYS 50 HE2 LYS 50 -6.907 4.084 -7.022 415 HE3 LYS 50 HE3 LYS 50 -7.484 3.320 -8.506 416 HZ1 LYS 50 HZ1 LYS 50 -9.492 2.643 -7.301 417 HZ2 LYS 50 HZ2 LYS 50 -9.310 4.324 -7.337 418 HZ3 LYS 50 HZ3 LYS 50 -8.951 3.467 -5.927 419 H TYR 51 H TYR 51 -2.868 3.217 -6.201 420 HA TYR 51 HA TYR 51 -3.226 1.531 -8.518 421 HB2 TYR 51 HB2 TYR 51 -2.523 4.262 -8.107 422 HB3 TYR 51 HB3 TYR 51 -1.093 3.552 -8.835 423 HD1 TYR 51 HD1 TYR 51 -1.536 2.067 -10.991 424 HD2 TYR 51 HD2 TYR 51 -4.263 5.015 -9.528 425 HE1 TYR 51 HE1 TYR 51 -2.582 2.186 -13.204 426 HE2 TYR 51 HE2 TYR 51 -5.315 5.141 -11.750 427 HH TYR 51 HH TYR 51 -4.636 4.649 -14.164 428 H SER 52 H SER 52 -0.579 2.202 -6.238 429 HA SER 52 HA SER 52 1.372 0.526 -7.468 430 HB2 SER 52 HB2 SER 52 2.567 0.622 -5.293 431 HB3 SER 52 HB3 SER 52 2.041 2.221 -5.817 432 HG SER 52 HG SER 52 0.883 2.359 -4.088 433 H ILE 53 H ILE 53 -0.983 -0.062 -4.876 434 HA ILE 53 HA ILE 53 -0.571 -2.769 -4.318 435 HB ILE 53 HB ILE 53 -3.121 -1.095 -4.295 436 HG12 ILE 53 HG12 ILE 53 -1.320 -2.043 -2.019 437 HG13 ILE 53 HG13 ILE 53 -1.351 -0.421 -2.688 438 HG21 ILE 53 HG21 ILE 53 -2.826 -3.901 -3.164 439 HG22 ILE 53 HG22 ILE 53 -3.840 -3.422 -4.526 440 HG23 ILE 53 HG23 ILE 53 -4.207 -2.828 -2.909 441 HD11 ILE 53 HD11 ILE 53 -2.528 -0.503 -0.591 442 HD12 ILE 53 HD12 ILE 53 -3.602 -1.763 -1.196 443 HD13 ILE 53 HD13 ILE 53 -3.656 -0.142 -1.897 444 H LYS 54 H LYS 54 -2.702 -1.270 -6.753 445 HA LYS 54 HA LYS 54 -3.800 -3.570 -7.929 446 HB2 LYS 54 HB2 LYS 54 -4.643 -1.252 -8.267 447 HB3 LYS 54 HB3 LYS 54 -3.203 -0.864 -9.200 448 HG2 LYS 54 HG2 LYS 54 -3.891 -2.558 -10.900 449 HG3 LYS 54 HG3 LYS 54 -5.365 -2.854 -9.970 450 HD2 LYS 54 HD2 LYS 54 -6.030 -0.475 -10.295 451 HD3 LYS 54 HD3 LYS 54 -4.564 -0.201 -11.242 452 HE2 LYS 54 HE2 LYS 54 -6.510 -0.528 -12.706 453 HE3 LYS 54 HE3 LYS 54 -5.346 -1.835 -12.921 454 HZ1 LYS 54 HZ1 LYS 54 -6.710 -3.254 -11.555 455 HZ2 LYS 54 HZ2 LYS 54 -7.648 -2.619 -12.809 456 HZ3 LYS 54 HZ3 LYS 54 -7.794 -1.995 -11.244 457 H ALA 55 H ALA 55 -0.870 -1.736 -8.718 458 HA ALA 55 HA ALA 55 0.045 -3.275 -10.908 459 HB1 ALA 55 HB1 ALA 55 1.654 -1.594 -8.955 460 HB2 ALA 55 HB2 ALA 55 0.870 -1.006 -10.425 461 HB3 ALA 55 HB3 ALA 55 2.206 -2.156 -10.537 462 H LEU 56 H LEU 56 0.559 -3.622 -7.395 463 HA LEU 56 HA LEU 56 2.550 -5.680 -7.580 464 HB2 LEU 56 HB2 LEU 56 0.856 -4.726 -5.261 465 HB3 LEU 56 HB3 LEU 56 2.085 -5.974 -5.100 466 HG LEU 56 HG LEU 56 2.618 -3.099 -5.954 467 HD11 LEU 56 HD11 LEU 56 3.686 -2.828 -3.751 468 HD12 LEU 56 HD12 LEU 56 3.148 -4.446 -3.291 469 HD13 LEU 56 HD13 LEU 56 1.964 -3.178 -3.617 470 HD21 LEU 56 HD21 LEU 56 4.236 -4.641 -6.966 471 HD22 LEU 56 HD22 LEU 56 4.592 -5.337 -5.380 472 HD23 LEU 56 HD23 LEU 56 5.005 -3.654 -5.722 473 H VAL 57 H VAL 57 -0.997 -5.749 -7.202 474 HA VAL 57 HA VAL 57 -1.266 -8.570 -6.828 475 HB VAL 57 HB VAL 57 -3.271 -6.592 -8.030 476 HG11 VAL 57 HG11 VAL 57 -3.772 -9.408 -6.978 477 HG12 VAL 57 HG12 VAL 57 -3.868 -8.899 -8.664 478 HG13 VAL 57 HG13 VAL 57 -5.024 -8.270 -7.491 479 HG21 VAL 57 HG21 VAL 57 -3.064 -7.639 -5.173 480 HG22 VAL 57 HG22 VAL 57 -4.317 -6.556 -5.787 481 HG23 VAL 57 HG23 VAL 57 -2.643 -6.009 -5.707 482 H GLN 58 H GLN 58 -1.045 -6.467 -9.655 483 HA GLN 58 HA GLN 58 -1.398 -8.385 -11.714 484 HB2 GLN 58 HB2 GLN 58 -1.659 -5.919 -11.946 485 HB3 GLN 58 HB3 GLN 58 0.069 -5.712 -11.726 486 HG2 GLN 58 HG2 GLN 58 -0.966 -7.388 -14.004 487 HG3 GLN 58 HG3 GLN 58 -0.995 -5.634 -14.125 488 HE21 GLN 58 HE21 GLN 58 0.491 -7.482 -15.781 489 HE22 GLN 58 HE22 GLN 58 2.157 -7.067 -15.605 490 H ASN 59 H ASN 59 1.529 -7.197 -10.007 491 HA ASN 59 HA ASN 59 3.336 -8.937 -11.503 492 HB2 ASN 59 HB2 ASN 59 3.791 -7.027 -9.179 493 HB3 ASN 59 HB3 ASN 59 5.067 -8.076 -9.786 494 HD21 ASN 59 HD21 ASN 59 3.389 -5.140 -10.263 495 HD22 ASN 59 HD22 ASN 59 4.191 -4.643 -11.695 496 H ASP 60 H ASP 60 1.150 -9.617 -9.172 497 HA ASP 60 HA ASP 60 0.702 -11.332 -7.797 498 HB2 ASP 60 HB2 ASP 60 3.059 -12.714 -9.145 499 HB3 ASP 60 HB3 ASP 60 1.805 -13.516 -8.200 500 H THR 61 H THR 61 2.639 -9.266 -6.976 501 HA THR 61 HA THR 61 4.140 -10.401 -4.783 502 HB THR 61 HB THR 61 3.354 -7.542 -5.499 503 HG1 THR 61 HG1 THR 61 5.954 -8.693 -5.415 504 HG21 THR 61 HG21 THR 61 3.562 -7.631 -3.044 505 HG22 THR 61 HG22 THR 61 4.912 -6.747 -3.755 506 HG23 THR 61 HG23 THR 61 5.143 -8.402 -3.195 507 H LEU 62 H LEU 62 0.943 -8.875 -5.239 508 HA LEU 62 HA LEU 62 0.221 -9.471 -2.422 509 HB2 LEU 62 HB2 LEU 62 -1.018 -7.402 -4.274 510 HB3 LEU 62 HB3 LEU 62 -1.558 -7.751 -2.638 511 HG LEU 62 HG LEU 62 1.064 -6.455 -3.468 512 HD11 LEU 62 HD11 LEU 62 0.243 -4.526 -2.202 513 HD12 LEU 62 HD12 LEU 62 -1.252 -5.385 -1.825 514 HD13 LEU 62 HD13 LEU 62 -0.873 -4.957 -3.496 515 HD21 LEU 62 HD21 LEU 62 1.608 -6.275 -1.066 516 HD22 LEU 62 HD22 LEU 62 1.566 -7.947 -1.614 517 HD23 LEU 62 HD23 LEU 62 0.218 -7.294 -0.677 518 H LEU 63 H LEU 63 -1.641 -10.483 -1.938 519 HA LEU 63 HA LEU 63 -3.271 -11.786 -4.030 520 HB2 LEU 63 HB2 LEU 63 -2.932 -12.409 -1.060 521 HB3 LEU 63 HB3 LEU 63 -4.045 -13.255 -2.123 522 HG LEU 63 HG LEU 63 -1.018 -13.272 -2.393 523 HD11 LEU 63 HD11 LEU 63 -2.859 -15.446 -1.345 524 HD12 LEU 63 HD12 LEU 63 -1.732 -14.482 -0.388 525 HD13 LEU 63 HD13 LEU 63 -1.117 -15.593 -1.610 526 HD21 LEU 63 HD21 LEU 63 -3.124 -14.835 -3.935 527 HD22 LEU 63 HD22 LEU 63 -1.377 -15.061 -4.061 528 HD23 LEU 63 HD23 LEU 63 -2.103 -13.540 -4.572 529 H GLN 64 H GLN 64 -5.347 -11.047 -4.304 530 HA GLN 64 HA GLN 64 -6.463 -9.041 -2.489 531 HB2 GLN 64 HB2 GLN 64 -6.689 -8.737 -4.952 532 HB3 GLN 64 HB3 GLN 64 -7.661 -10.204 -5.043 533 HG2 GLN 64 HG2 GLN 64 -9.413 -9.171 -3.684 534 HG3 GLN 64 HG3 GLN 64 -8.431 -7.721 -3.460 535 HE21 GLN 64 HE21 GLN 64 -8.209 -6.264 -5.205 536 HE22 GLN 64 HE22 GLN 64 -9.262 -6.314 -6.571 537 H VAL 65 H VAL 65 -7.121 -9.937 -0.647 538 HA VAL 65 HA VAL 65 -8.240 -12.588 -0.401 539 HB VAL 65 HB VAL 65 -8.021 -10.477 1.794 540 HG11 VAL 65 HG11 VAL 65 -7.819 -12.421 3.332 541 HG12 VAL 65 HG12 VAL 65 -8.045 -13.519 1.967 542 HG13 VAL 65 HG13 VAL 65 -9.350 -12.437 2.453 543 HG21 VAL 65 HG21 VAL 65 -5.820 -10.673 0.714 544 HG22 VAL 65 HG22 VAL 65 -5.857 -12.428 0.905 545 HG23 VAL 65 HG23 VAL 65 -5.778 -11.387 2.329 546 H LYS 66 H LYS 66 -9.585 -9.618 -1.186 547 HA LYS 66 HA LYS 66 -11.661 -8.972 -1.780 548 HB2 LYS 66 HB2 LYS 66 -12.688 -11.658 -0.777 549 HB3 LYS 66 HB3 LYS 66 -13.568 -10.528 -1.800 550 HG2 LYS 66 HG2 LYS 66 -11.022 -11.978 -2.612 551 HG3 LYS 66 HG3 LYS 66 -12.658 -12.509 -3.010 552 HD2 LYS 66 HD2 LYS 66 -13.017 -10.417 -4.292 553 HD3 LYS 66 HD3 LYS 66 -11.376 -9.894 -3.895 554 HE2 LYS 66 HE2 LYS 66 -11.500 -10.858 -6.163 555 HE3 LYS 66 HE3 LYS 66 -10.444 -11.806 -5.116 556 HZ1 LYS 66 HZ1 LYS 66 -13.250 -12.479 -5.834 557 HZ2 LYS 66 HZ2 LYS 66 -12.266 -13.382 -4.796 558 HZ3 LYS 66 HZ3 LYS 66 -11.856 -13.236 -6.429 559 H GLY 67 H GLY 67 -14.101 -8.907 -0.751 560 HA2 GLY 67 HA2 GLY 67 -13.891 -7.364 1.650 561 HA3 GLY 67 HA3 GLY 67 -15.367 -7.794 0.806 562 H THR 68 H THR 68 -12.988 -8.910 3.151 563 HA THR 68 HA THR 68 -14.667 -11.127 4.113 564 HB THR 68 HB THR 68 -12.683 -11.567 5.637 565 HG1 THR 68 HG1 THR 68 -10.885 -10.040 4.323 566 HG21 THR 68 HG21 THR 68 -12.816 -12.716 3.448 567 HG22 THR 68 HG22 THR 68 -11.142 -12.338 3.863 568 HG23 THR 68 HG23 THR 68 -12.000 -11.354 2.676 569 H GLY 69 H GLY 69 -15.647 -8.370 4.510 570 HA2 GLY 69 HA2 GLY 69 -16.994 -7.543 6.282 571 HA3 GLY 69 HA3 GLY 69 -15.959 -8.347 7.450 572 H ALA 70 H ALA 70 -13.576 -7.205 5.890 573 HA ALA 70 HA ALA 70 -13.571 -4.467 7.062 574 HB1 ALA 70 HB1 ALA 70 -12.053 -6.043 8.214 575 HB2 ALA 70 HB2 ALA 70 -11.149 -4.771 7.393 576 HB3 ALA 70 HB3 ALA 70 -11.238 -6.384 6.684 577 H ASN 71 H ASN 71 -14.440 -5.262 4.335 578 HA ASN 71 HA ASN 71 -14.390 -4.531 2.187 579 HB2 ASN 71 HB2 ASN 71 -13.826 -2.301 3.271 580 HB3 ASN 71 HB3 ASN 71 -12.128 -2.651 2.989 581 HD21 ASN 71 HD21 ASN 71 -11.792 -0.904 1.644 582 HD22 ASN 71 HD22 ASN 71 -12.501 -0.752 0.078 583 H GLY 72 H GLY 72 -12.689 -4.269 0.188 584 HA2 GLY 72 HA2 GLY 72 -11.359 -6.628 -0.316 585 HA3 GLY 72 HA3 GLY 72 -10.996 -5.108 -1.107 586 H SER 73 H SER 73 -9.961 -7.434 1.193 587 HA SER 73 HA SER 73 -7.786 -5.829 2.328 588 HB2 SER 73 HB2 SER 73 -8.705 -8.684 2.885 589 HB3 SER 73 HB3 SER 73 -7.443 -7.837 3.779 590 HG SER 73 HG SER 73 -9.989 -6.656 3.549 591 H PHE 74 H PHE 74 -5.537 -6.533 2.230 592 HA PHE 74 HA PHE 74 -4.830 -8.249 -0.089 593 HB2 PHE 74 HB2 PHE 74 -3.579 -5.525 0.501 594 HB3 PHE 74 HB3 PHE 74 -3.150 -6.598 -0.827 595 HD1 PHE 74 HD1 PHE 74 -5.001 -7.149 -2.563 596 HD2 PHE 74 HD2 PHE 74 -5.260 -3.870 0.179 597 HE1 PHE 74 HE1 PHE 74 -6.710 -6.089 -3.983 598 HE2 PHE 74 HE2 PHE 74 -6.967 -2.813 -1.250 599 HZ PHE 74 HZ PHE 74 -7.697 -3.927 -3.329 600 H LYS 75 H LYS 75 -3.309 -9.711 0.377 601 HA LYS 75 HA LYS 75 -1.432 -9.277 2.656 602 HB2 LYS 75 HB2 LYS 75 -2.560 -11.918 1.620 603 HB3 LYS 75 HB3 LYS 75 -1.211 -11.811 2.741 604 HG2 LYS 75 HG2 LYS 75 -2.786 -10.506 4.265 605 HG3 LYS 75 HG3 LYS 75 -4.083 -11.058 3.207 606 HD2 LYS 75 HD2 LYS 75 -2.176 -12.845 4.764 607 HD3 LYS 75 HD3 LYS 75 -3.834 -12.465 5.225 608 HE2 LYS 75 HE2 LYS 75 -4.650 -13.598 3.173 609 HE3 LYS 75 HE3 LYS 75 -2.982 -13.995 2.742 610 HZ1 LYS 75 HZ1 LYS 75 -2.801 -15.268 4.793 611 HZ2 LYS 75 HZ2 LYS 75 -4.072 -15.843 3.836 612 HZ3 LYS 75 HZ3 LYS 75 -4.404 -14.890 5.193 613 H LEU 76 H LEU 76 0.689 -10.325 2.396 614 HA LEU 76 HA LEU 76 1.850 -10.134 -0.252 615 HB2 LEU 76 HB2 LEU 76 3.038 -11.191 2.351 616 HB3 LEU 76 HB3 LEU 76 3.943 -10.754 0.908 617 HG LEU 76 HG LEU 76 2.318 -8.740 2.524 618 HD11 LEU 76 HD11 LEU 76 5.300 -9.268 2.722 619 HD12 LEU 76 HD12 LEU 76 4.096 -9.667 3.949 620 HD13 LEU 76 HD13 LEU 76 4.408 -7.981 3.543 621 HD21 LEU 76 HD21 LEU 76 3.623 -7.050 1.320 622 HD22 LEU 76 HD22 LEU 76 2.751 -8.079 0.188 623 HD23 LEU 76 HD23 LEU 76 4.483 -8.312 0.432 624 H ASN 77 H ASN 77 2.376 -11.881 -1.612 625 HA ASN 77 HA ASN 77 1.330 -14.515 -1.142 626 HB2 ASN 77 HB2 ASN 77 3.447 -13.649 -3.175 627 HB3 ASN 77 HB3 ASN 77 2.540 -15.159 -3.209 628 HD21 ASN 77 HD21 ASN 77 1.732 -14.683 -5.275 629 HD22 ASN 77 HD22 ASN 77 0.539 -13.474 -5.548 630 H ARG 78 H ARG 78 4.724 -13.884 -1.911 631 HA ARG 78 HA ARG 78 5.711 -14.557 0.749 632 HB2 ARG 78 HB2 ARG 78 6.417 -16.149 -1.760 633 HB3 ARG 78 HB3 ARG 78 7.558 -16.032 -0.424 634 HG2 ARG 78 HG2 ARG 78 5.941 -17.092 1.082 635 HG3 ARG 78 HG3 ARG 78 4.745 -17.163 -0.212 636 HD2 ARG 78 HD2 ARG 78 6.132 -18.732 -1.461 637 HD3 ARG 78 HD3 ARG 78 7.432 -18.590 -0.270 638 HE ARG 78 HE ARG 78 5.392 -19.423 1.259 639 HH11 ARG 78 HH11 ARG 78 6.556 -20.722 -1.735 640 HH12 ARG 78 HH12 ARG 78 6.062 -22.328 -1.335 641 HH21 ARG 78 HH21 ARG 78 4.803 -21.474 1.739 642 HH22 ARG 78 HH22 ARG 78 5.091 -22.746 0.604 643 H LYS 79 H LYS 79 5.473 -12.121 -0.145 644 HA LYS 79 HA LYS 79 6.338 -10.108 -0.715 645 HB2 LYS 79 HB2 LYS 79 8.259 -10.869 0.763 646 HB3 LYS 79 HB3 LYS 79 9.102 -11.390 -0.691 647 HG2 LYS 79 HG2 LYS 79 9.089 -9.066 -1.539 648 HG3 LYS 79 HG3 LYS 79 8.214 -8.539 -0.098 649 HD2 LYS 79 HD2 LYS 79 11.012 -9.741 -0.137 650 HD3 LYS 79 HD3 LYS 79 10.639 -8.026 0.036 651 HE2 LYS 79 HE2 LYS 79 9.571 -8.431 2.197 652 HE3 LYS 79 HE3 LYS 79 9.763 -10.176 2.009 653 HZ1 LYS 79 HZ1 LYS 79 12.171 -9.864 2.029 654 HZ2 LYS 79 HZ2 LYS 79 11.459 -9.284 3.451 655 HZ3 LYS 79 HZ3 LYS 79 11.967 -8.202 2.256 656 H LYS 80 H LYS 80 8.542 -12.309 -2.543 657 HA LYS 80 HA LYS 80 8.927 -12.689 -4.724 658 HB2 LYS 80 HB2 LYS 80 6.468 -12.986 -4.963 659 HB3 LYS 80 HB3 LYS 80 6.307 -11.274 -5.340 660 HG2 LYS 80 HG2 LYS 80 7.560 -11.523 -7.391 661 HG3 LYS 80 HG3 LYS 80 8.000 -13.180 -6.983 662 HD2 LYS 80 HD2 LYS 80 5.160 -12.261 -7.477 663 HD3 LYS 80 HD3 LYS 80 6.209 -12.932 -8.724 664 HE2 LYS 80 HE2 LYS 80 6.415 -15.023 -7.313 665 HE3 LYS 80 HE3 LYS 80 5.186 -14.347 -6.239 666 HZ1 LYS 80 HZ1 LYS 80 3.640 -14.312 -8.048 667 HZ2 LYS 80 HZ2 LYS 80 4.278 -15.869 -7.911 668 HZ3 LYS 80 HZ3 LYS 80 4.818 -14.838 -9.139 669 H LEU 81 H LEU 81 8.470 -9.436 -3.697 670 HA LEU 81 HA LEU 81 9.146 -7.842 -5.845 671 HB2 LEU 81 HB2 LEU 81 8.314 -7.337 -3.413 672 HB3 LEU 81 HB3 LEU 81 10.005 -7.285 -2.979 673 HG LEU 81 HG LEU 81 8.691 -5.418 -5.010 674 HD11 LEU 81 HD11 LEU 81 8.687 -3.715 -3.269 675 HD12 LEU 81 HD12 LEU 81 9.393 -4.849 -2.112 676 HD13 LEU 81 HD13 LEU 81 7.767 -5.126 -2.736 677 HD21 LEU 81 HD21 LEU 81 11.120 -5.609 -5.380 678 HD22 LEU 81 HD22 LEU 81 11.427 -5.224 -3.687 679 HD23 LEU 81 HD23 LEU 81 10.710 -4.013 -4.755 680 H GLU 82 H GLU 82 11.378 -9.167 -3.348 681 HA GLU 82 HA GLU 82 13.770 -8.398 -4.816 682 HB2 GLU 82 HB2 GLU 82 14.995 -9.365 -2.892 683 HB3 GLU 82 HB3 GLU 82 13.761 -8.221 -2.383 684 HG2 GLU 82 HG2 GLU 82 12.271 -10.076 -1.749 685 HG3 GLU 82 HG3 GLU 82 13.485 -11.242 -2.283 686 H GLY 83 H GLY 83 11.757 -11.205 -4.645 687 HA2 GLY 83 HA2 GLY 83 12.524 -12.651 -6.743 688 HA3 GLY 83 HA3 GLY 83 13.801 -13.086 -5.615 Start of MODEL 11 1 H1 SER 1 H1 SER 1 13.719 6.869 -20.745 2 H2 SER 1 H2 SER 1 13.408 8.508 -20.460 3 H3 SER 1 H3 SER 1 12.551 7.677 -21.664 4 HA SER 1 HA SER 1 12.428 7.090 -18.767 5 HB2 SER 1 HB2 SER 1 10.439 8.569 -20.540 6 HB3 SER 1 HB3 SER 1 10.148 8.114 -18.859 7 HG SER 1 HG SER 1 11.067 10.347 -19.496 8 H HIS 2 H HIS 2 12.012 4.949 -18.524 9 HA HIS 2 HA HIS 2 10.086 3.608 -20.353 10 HB2 HIS 2 HB2 HIS 2 12.205 2.419 -18.520 11 HB3 HIS 2 HB3 HIS 2 10.973 1.451 -19.321 12 HD1 HIS 2 HD1 HIS 2 11.670 0.496 -21.505 13 HD2 HIS 2 HD2 HIS 2 13.883 3.888 -20.560 14 HE1 HIS 2 HE1 HIS 2 13.416 0.678 -23.294 15 HE2 HIS 2 HE2 HIS 2 14.658 2.802 -22.777 16 H MET 3 H MET 3 10.849 2.610 -17.006 17 HA MET 3 HA MET 3 8.567 3.692 -15.717 18 HB2 MET 3 HB2 MET 3 7.386 2.041 -17.218 19 HB3 MET 3 HB3 MET 3 8.293 0.736 -16.471 20 HG2 MET 3 HG2 MET 3 7.226 1.275 -14.296 21 HG3 MET 3 HG3 MET 3 6.288 2.540 -15.092 22 HE1 MET 3 HE1 MET 3 5.590 1.121 -17.925 23 HE2 MET 3 HE2 MET 3 4.404 2.022 -16.977 24 HE3 MET 3 HE3 MET 3 4.030 0.392 -17.539 25 H GLN 4 H GLN 4 10.007 4.109 -14.029 26 HA GLN 4 HA GLN 4 11.535 1.946 -12.788 27 HB2 GLN 4 HB2 GLN 4 11.384 4.927 -12.178 28 HB3 GLN 4 HB3 GLN 4 12.337 3.796 -11.225 29 HG2 GLN 4 HG2 GLN 4 13.840 4.870 -12.734 30 HG3 GLN 4 HG3 GLN 4 13.626 3.218 -13.308 31 HE21 GLN 4 HE21 GLN 4 14.233 3.720 -15.419 32 HE22 GLN 4 HE22 GLN 4 13.259 4.676 -16.469 33 HA PRO 5 HA PRO 5 8.128 1.119 -9.896 34 HB2 PRO 5 HB2 PRO 5 9.383 -0.733 -8.308 35 HB3 PRO 5 HB3 PRO 5 8.790 -1.108 -9.931 36 HG2 PRO 5 HG2 PRO 5 11.590 -0.417 -9.048 37 HG3 PRO 5 HG3 PRO 5 11.052 -1.701 -10.154 38 HD2 PRO 5 HD2 PRO 5 12.060 0.665 -11.058 39 HD3 PRO 5 HD3 PRO 5 10.808 -0.229 -11.949 40 H GLY 6 H GLY 6 7.928 3.101 -8.881 41 HA2 GLY 6 HA2 GLY 6 9.757 4.375 -7.169 42 HA3 GLY 6 HA3 GLY 6 8.038 4.717 -7.265 43 H LYS 7 H LYS 7 9.179 5.061 -4.885 44 HA LYS 7 HA LYS 7 9.325 2.669 -3.288 45 HB2 LYS 7 HB2 LYS 7 9.865 4.135 -1.390 46 HB3 LYS 7 HB3 LYS 7 10.890 4.430 -2.780 47 HG2 LYS 7 HG2 LYS 7 8.489 6.191 -2.314 48 HG3 LYS 7 HG3 LYS 7 9.944 6.425 -1.345 49 HD2 LYS 7 HD2 LYS 7 11.258 6.734 -3.444 50 HD3 LYS 7 HD3 LYS 7 9.767 6.581 -4.380 51 HE2 LYS 7 HE2 LYS 7 8.858 8.591 -3.291 52 HE3 LYS 7 HE3 LYS 7 10.300 8.718 -2.280 53 HZ1 LYS 7 HZ1 LYS 7 10.372 10.230 -4.158 54 HZ2 LYS 7 HZ2 LYS 7 10.248 8.936 -5.239 55 HZ3 LYS 7 HZ3 LYS 7 11.618 9.089 -4.262 56 H TYR 8 H TYR 8 6.594 4.364 -4.274 57 HA TYR 8 HA TYR 8 4.936 4.042 -1.962 58 HB2 TYR 8 HB2 TYR 8 4.368 4.379 -4.916 59 HB3 TYR 8 HB3 TYR 8 3.055 3.906 -3.850 60 HD1 TYR 8 HD1 TYR 8 2.352 5.443 -1.973 61 HD2 TYR 8 HD2 TYR 8 5.129 6.698 -4.972 62 HE1 TYR 8 HE1 TYR 8 1.933 7.788 -1.384 63 HE2 TYR 8 HE2 TYR 8 4.707 9.048 -4.369 64 HH TYR 8 HH TYR 8 3.090 10.422 -3.286 65 H SER 9 H SER 9 5.662 1.898 -4.730 66 HA SER 9 HA SER 9 4.030 -0.295 -3.980 67 HB2 SER 9 HB2 SER 9 6.623 -0.307 -5.586 68 HB3 SER 9 HB3 SER 9 5.475 -1.648 -5.500 69 HG SER 9 HG SER 9 4.359 -0.696 -6.986 70 H GLN 10 H GLN 10 7.416 0.476 -3.263 71 HA GLN 10 HA GLN 10 8.077 -1.795 -1.694 72 HB2 GLN 10 HB2 GLN 10 9.236 1.016 -1.439 73 HB3 GLN 10 HB3 GLN 10 10.009 -0.486 -0.937 74 HG2 GLN 10 HG2 GLN 10 10.170 -1.185 -3.306 75 HG3 GLN 10 HG3 GLN 10 9.383 0.311 -3.800 76 HE21 GLN 10 HE21 GLN 10 10.921 1.913 -1.769 77 HE22 GLN 10 HE22 GLN 10 12.503 2.055 -2.437 78 H LEU 11 H LEU 11 6.626 1.331 -0.889 79 HA LEU 11 HA LEU 11 6.606 1.196 1.919 80 HB2 LEU 11 HB2 LEU 11 6.180 3.267 0.648 81 HB3 LEU 11 HB3 LEU 11 4.682 2.599 0.023 82 HG LEU 11 HG LEU 11 3.741 2.599 2.353 83 HD11 LEU 11 HD11 LEU 11 6.299 4.045 3.113 84 HD12 LEU 11 HD12 LEU 11 5.808 2.435 3.649 85 HD13 LEU 11 HD13 LEU 11 4.875 3.846 4.137 86 HD21 LEU 11 HD21 LEU 11 3.385 5.034 2.496 87 HD22 LEU 11 HD22 LEU 11 3.253 4.464 0.836 88 HD23 LEU 11 HD23 LEU 11 4.712 5.304 1.364 89 H VAL 12 H VAL 12 4.140 0.106 -0.451 90 HA VAL 12 HA VAL 12 2.172 -0.724 1.428 91 HB VAL 12 HB VAL 12 2.606 -1.724 -1.426 92 HG11 VAL 12 HG11 VAL 12 0.243 -2.472 -1.341 93 HG12 VAL 12 HG12 VAL 12 0.154 -2.014 0.361 94 HG13 VAL 12 HG13 VAL 12 1.229 -3.317 -0.153 95 HG21 VAL 12 HG21 VAL 12 2.201 0.709 -1.337 96 HG22 VAL 12 HG22 VAL 12 0.745 0.453 -0.376 97 HG23 VAL 12 HG23 VAL 12 0.813 -0.122 -2.043 98 H VAL 13 H VAL 13 4.646 -2.608 -0.340 99 HA VAL 13 HA VAL 13 4.231 -5.159 0.730 100 HB VAL 13 HB VAL 13 6.816 -3.835 -0.235 101 HG11 VAL 13 HG11 VAL 13 7.801 -6.108 -0.447 102 HG12 VAL 13 HG12 VAL 13 6.386 -6.797 0.353 103 HG13 VAL 13 HG13 VAL 13 7.455 -5.705 1.233 104 HG21 VAL 13 HG21 VAL 13 5.063 -4.066 -1.959 105 HG22 VAL 13 HG22 VAL 13 4.929 -5.793 -1.622 106 HG23 VAL 13 HG23 VAL 13 6.418 -5.141 -2.310 107 H GLU 14 H GLU 14 6.340 -2.559 1.930 108 HA GLU 14 HA GLU 14 7.282 -3.853 4.266 109 HB2 GLU 14 HB2 GLU 14 7.226 -0.978 3.326 110 HB3 GLU 14 HB3 GLU 14 7.727 -1.338 4.973 111 HG2 GLU 14 HG2 GLU 14 9.027 -2.573 2.525 112 HG3 GLU 14 HG3 GLU 14 9.600 -1.093 3.301 113 H THR 15 H THR 15 4.420 -1.776 3.730 114 HA THR 15 HA THR 15 3.715 -1.345 6.442 115 HB THR 15 HB THR 15 1.999 -1.369 3.921 116 HG1 THR 15 HG1 THR 15 2.935 0.518 3.784 117 HG21 THR 15 HG21 THR 15 0.232 -0.208 5.235 118 HG22 THR 15 HG22 THR 15 1.137 -0.528 6.716 119 HG23 THR 15 HG23 THR 15 0.472 -1.867 5.777 120 H ILE 16 H ILE 16 2.541 -3.770 4.115 121 HA ILE 16 HA ILE 16 0.848 -5.242 5.845 122 HB ILE 16 HB ILE 16 2.302 -6.096 3.298 123 HG12 ILE 16 HG12 ILE 16 -0.565 -5.083 3.655 124 HG13 ILE 16 HG13 ILE 16 0.773 -4.105 3.067 125 HG21 ILE 16 HG21 ILE 16 0.617 -7.890 3.069 126 HG22 ILE 16 HG22 ILE 16 -0.069 -7.458 4.637 127 HG23 ILE 16 HG23 ILE 16 1.574 -8.095 4.535 128 HD11 ILE 16 HD11 ILE 16 0.962 -5.570 1.103 129 HD12 ILE 16 HD12 ILE 16 -0.630 -4.827 1.248 130 HD13 ILE 16 HD13 ILE 16 -0.408 -6.517 1.694 131 H ARG 17 H ARG 17 4.293 -5.526 5.086 132 HA ARG 17 HA ARG 17 4.889 -7.937 6.452 133 HB2 ARG 17 HB2 ARG 17 6.379 -6.947 4.757 134 HB3 ARG 17 HB3 ARG 17 6.663 -5.550 5.791 135 HG2 ARG 17 HG2 ARG 17 7.755 -7.053 7.463 136 HG3 ARG 17 HG3 ARG 17 7.530 -8.408 6.354 137 HD2 ARG 17 HD2 ARG 17 8.955 -7.274 4.682 138 HD3 ARG 17 HD3 ARG 17 9.163 -5.907 5.789 139 HE ARG 17 HE ARG 17 9.968 -8.543 6.765 140 HH11 ARG 17 HH11 ARG 17 11.011 -5.518 5.426 141 HH12 ARG 17 HH12 ARG 17 12.652 -5.762 5.916 142 HH21 ARG 17 HH21 ARG 17 12.059 -8.816 7.371 143 HH22 ARG 17 HH22 ARG 17 13.230 -7.601 7.007 144 H ARG 18 H ARG 18 5.188 -4.525 7.531 145 HA ARG 18 HA ARG 18 6.380 -5.155 10.060 146 HB2 ARG 18 HB2 ARG 18 5.169 -2.529 9.110 147 HB3 ARG 18 HB3 ARG 18 6.143 -2.724 10.559 148 HG2 ARG 18 HG2 ARG 18 7.076 -3.103 7.699 149 HG3 ARG 18 HG3 ARG 18 7.464 -1.747 8.754 150 HD2 ARG 18 HD2 ARG 18 8.748 -3.233 10.220 151 HD3 ARG 18 HD3 ARG 18 8.292 -4.632 9.239 152 HE ARG 18 HE ARG 18 9.488 -2.950 7.450 153 HH11 ARG 18 HH11 ARG 18 10.555 -4.321 10.451 154 HH12 ARG 18 HH12 ARG 18 12.210 -4.318 9.965 155 HH21 ARG 18 HH21 ARG 18 11.608 -2.978 6.872 156 HH22 ARG 18 HH22 ARG 18 12.801 -3.573 7.975 157 H LEU 19 H LEU 19 3.072 -4.619 8.991 158 HA LEU 19 HA LEU 19 1.892 -4.705 11.630 159 HB2 LEU 19 HB2 LEU 19 0.674 -5.189 8.879 160 HB3 LEU 19 HB3 LEU 19 -0.250 -5.081 10.371 161 HG LEU 19 HG LEU 19 1.394 -2.805 9.181 162 HD11 LEU 19 HD11 LEU 19 -0.547 -3.304 7.771 163 HD12 LEU 19 HD12 LEU 19 -0.760 -1.765 8.600 164 HD13 LEU 19 HD13 LEU 19 -1.619 -3.198 9.171 165 HD21 LEU 19 HD21 LEU 19 -0.507 -2.806 11.553 166 HD22 LEU 19 HD22 LEU 19 0.292 -1.386 10.869 167 HD23 LEU 19 HD23 LEU 19 1.251 -2.654 11.626 168 H GLY 20 H GLY 20 2.861 -7.062 9.200 169 HA2 GLY 20 HA2 GLY 20 3.170 -9.356 9.364 170 HA3 GLY 20 HA3 GLY 20 2.511 -9.323 10.992 171 H GLU 21 H GLU 21 0.867 -7.989 8.204 172 HA GLU 21 HA GLU 21 -1.546 -9.434 8.696 173 HB2 GLU 21 HB2 GLU 21 -0.753 -7.659 6.358 174 HB3 GLU 21 HB3 GLU 21 -2.393 -8.218 6.686 175 HG2 GLU 21 HG2 GLU 21 -0.762 -6.521 8.593 176 HG3 GLU 21 HG3 GLU 21 -1.880 -5.861 7.409 177 H ARG 22 H ARG 22 -0.846 -11.642 8.502 178 HA ARG 22 HA ARG 22 -0.376 -12.796 5.872 179 HB2 ARG 22 HB2 ARG 22 -0.967 -14.153 8.534 180 HB3 ARG 22 HB3 ARG 22 -0.469 -14.976 7.056 181 HG2 ARG 22 HG2 ARG 22 1.689 -13.662 7.145 182 HG3 ARG 22 HG3 ARG 22 1.181 -13.045 8.721 183 HD2 ARG 22 HD2 ARG 22 2.707 -14.954 8.982 184 HD3 ARG 22 HD3 ARG 22 1.100 -15.362 9.602 185 HE ARG 22 HE ARG 22 1.962 -16.157 6.882 186 HH11 ARG 22 HH11 ARG 22 0.809 -17.119 10.002 187 HH12 ARG 22 HH12 ARG 22 0.458 -18.726 9.487 188 HH21 ARG 22 HH21 ARG 22 1.511 -18.215 6.257 189 HH22 ARG 22 HH22 ARG 22 0.856 -19.342 7.393 190 H ASN 23 H ASN 23 -3.152 -11.933 7.753 191 HA ASN 23 HA ASN 23 -5.016 -13.554 6.175 192 HB2 ASN 23 HB2 ASN 23 -5.546 -11.344 8.215 193 HB3 ASN 23 HB3 ASN 23 -6.793 -12.315 7.439 194 HD21 ASN 23 HD21 ASN 23 -4.352 -12.244 9.884 195 HD22 ASN 23 HD22 ASN 23 -4.727 -13.765 10.601 196 H GLY 24 H GLY 24 -4.123 -10.102 6.489 197 HA2 GLY 24 HA2 GLY 24 -3.798 -9.119 4.129 198 HA3 GLY 24 HA3 GLY 24 -5.510 -9.452 3.944 199 H SER 25 H SER 25 -3.726 -6.931 4.128 200 HA SER 25 HA SER 25 -4.939 -5.445 6.359 201 HB2 SER 25 HB2 SER 25 -2.461 -5.296 6.019 202 HB3 SER 25 HB3 SER 25 -2.727 -4.594 4.428 203 HG SER 25 HG SER 25 -2.343 -3.058 6.159 204 H SER 26 H SER 26 -6.669 -4.151 5.969 205 HA SER 26 HA SER 26 -7.865 -3.604 3.485 206 HB2 SER 26 HB2 SER 26 -9.134 -3.338 5.547 207 HB3 SER 26 HB3 SER 26 -8.049 -2.067 6.111 208 HG SER 26 HG SER 26 -10.004 -1.238 5.216 209 H LEU 27 H LEU 27 -7.917 -1.696 2.155 210 HA LEU 27 HA LEU 27 -5.500 -0.352 1.650 211 HB2 LEU 27 HB2 LEU 27 -7.300 -0.562 -0.027 212 HB3 LEU 27 HB3 LEU 27 -8.330 0.495 0.924 213 HG LEU 27 HG LEU 27 -6.701 2.380 0.535 214 HD11 LEU 27 HD11 LEU 27 -5.324 0.451 -1.355 215 HD12 LEU 27 HD12 LEU 27 -4.656 1.123 0.135 216 HD13 LEU 27 HD13 LEU 27 -4.998 2.183 -1.228 217 HD21 LEU 27 HD21 LEU 27 -7.819 1.129 -1.990 218 HD22 LEU 27 HD22 LEU 27 -7.336 2.815 -1.795 219 HD23 LEU 27 HD23 LEU 27 -8.693 2.178 -0.870 220 H ALA 28 H ALA 28 -8.222 0.568 3.715 221 HA ALA 28 HA ALA 28 -7.382 3.211 4.396 222 HB1 ALA 28 HB1 ALA 28 -9.021 3.033 6.233 223 HB2 ALA 28 HB2 ALA 28 -9.161 1.297 5.944 224 HB3 ALA 28 HB3 ALA 28 -9.693 2.440 4.712 225 H LYS 29 H LYS 29 -6.701 0.013 5.810 226 HA LYS 29 HA LYS 29 -5.303 0.916 8.137 227 HB2 LYS 29 HB2 LYS 29 -6.353 -1.337 7.957 228 HB3 LYS 29 HB3 LYS 29 -5.202 -1.780 6.703 229 HG2 LYS 29 HG2 LYS 29 -4.571 -2.774 8.845 230 HG3 LYS 29 HG3 LYS 29 -3.348 -1.613 8.320 231 HD2 LYS 29 HD2 LYS 29 -4.270 0.069 9.885 232 HD3 LYS 29 HD3 LYS 29 -5.518 -1.076 10.388 233 HE2 LYS 29 HE2 LYS 29 -3.739 -2.594 11.247 234 HE3 LYS 29 HE3 LYS 29 -2.521 -1.398 10.789 235 HZ1 LYS 29 HZ1 LYS 29 -3.115 -1.273 13.133 236 HZ2 LYS 29 HZ2 LYS 29 -4.723 -0.946 12.731 237 HZ3 LYS 29 HZ3 LYS 29 -3.508 0.158 12.325 238 H ILE 30 H ILE 30 -4.293 -0.130 4.895 239 HA ILE 30 HA ILE 30 -1.497 0.122 5.200 240 HB ILE 30 HB ILE 30 -3.224 0.306 2.684 241 HG12 ILE 30 HG12 ILE 30 -1.558 -2.005 3.805 242 HG13 ILE 30 HG13 ILE 30 -3.309 -1.882 3.893 243 HG21 ILE 30 HG21 ILE 30 -1.092 1.429 2.208 244 HG22 ILE 30 HG22 ILE 30 -1.155 -0.115 1.361 245 HG23 ILE 30 HG23 ILE 30 -0.190 0.043 2.829 246 HD11 ILE 30 HD11 ILE 30 -3.435 -2.060 1.448 247 HD12 ILE 30 HD12 ILE 30 -2.616 -3.441 2.178 248 HD13 ILE 30 HD13 ILE 30 -1.674 -2.187 1.372 249 H TYR 31 H TYR 31 -4.015 2.442 4.235 250 HA TYR 31 HA TYR 31 -2.371 4.641 3.584 251 HB2 TYR 31 HB2 TYR 31 -4.795 4.512 3.000 252 HB3 TYR 31 HB3 TYR 31 -5.211 4.700 4.700 253 HD1 TYR 31 HD2 TYR 31 -3.558 6.420 1.831 254 HD2 TYR 31 HD1 TYR 31 -5.375 6.930 5.663 255 HE1 TYR 31 HE2 TYR 31 -3.510 8.849 1.529 256 HE2 TYR 31 HE1 TYR 31 -5.312 9.374 5.363 257 HH TYR 31 HH TYR 31 -3.848 11.030 3.953 258 H THR 32 H THR 32 -3.777 3.611 6.701 259 HA THR 32 HA THR 32 -3.150 5.870 8.250 260 HB THR 32 HB THR 32 -3.307 2.979 9.226 261 HG1 THR 32 HG1 THR 32 -5.458 3.288 9.332 262 HG21 THR 32 HG21 THR 32 -3.682 5.590 10.758 263 HG22 THR 32 HG22 THR 32 -2.313 4.487 10.935 264 HG23 THR 32 HG23 THR 32 -3.932 3.972 11.412 265 H GLU 33 H GLU 33 -1.177 2.964 7.612 266 HA GLU 33 HA GLU 33 1.077 3.870 9.185 267 HB2 GLU 33 HB2 GLU 33 0.935 1.644 7.114 268 HB3 GLU 33 HB3 GLU 33 2.228 1.888 8.286 269 HG2 GLU 33 HG2 GLU 33 -0.650 1.125 8.890 270 HG3 GLU 33 HG3 GLU 33 0.763 0.077 9.008 271 H ALA 34 H ALA 34 0.057 4.168 5.860 272 HA ALA 34 HA ALA 34 2.599 4.909 4.733 273 HB1 ALA 34 HB1 ALA 34 0.855 3.805 3.409 274 HB2 ALA 34 HB2 ALA 34 1.312 5.351 2.695 275 HB3 ALA 34 HB3 ALA 34 -0.198 5.208 3.601 276 H LYS 35 H LYS 35 -0.084 6.723 6.142 277 HA LYS 35 HA LYS 35 0.603 9.272 4.975 278 HB2 LYS 35 HB2 LYS 35 -1.186 10.184 6.397 279 HB3 LYS 35 HB3 LYS 35 -1.712 8.731 5.553 280 HG2 LYS 35 HG2 LYS 35 -1.261 7.423 7.652 281 HG3 LYS 35 HG3 LYS 35 -0.940 8.947 8.483 282 HD2 LYS 35 HD2 LYS 35 -3.569 8.214 7.122 283 HD3 LYS 35 HD3 LYS 35 -3.258 8.069 8.852 284 HE2 LYS 35 HE2 LYS 35 -2.908 10.511 8.992 285 HE3 LYS 35 HE3 LYS 35 -3.219 10.652 7.261 286 HZ1 LYS 35 HZ1 LYS 35 -5.458 9.949 7.582 287 HZ2 LYS 35 HZ2 LYS 35 -5.147 11.187 8.695 288 HZ3 LYS 35 HZ3 LYS 35 -5.178 9.575 9.209 289 H LYS 36 H LYS 36 2.302 7.621 7.162 290 HA LYS 36 HA LYS 36 2.952 9.757 9.056 291 HB2 LYS 36 HB2 LYS 36 4.032 6.914 8.833 292 HB3 LYS 36 HB3 LYS 36 4.320 8.021 10.176 293 HG2 LYS 36 HG2 LYS 36 1.945 7.966 10.780 294 HG3 LYS 36 HG3 LYS 36 1.587 6.957 9.372 295 HD2 LYS 36 HD2 LYS 36 3.030 5.159 10.320 296 HD3 LYS 36 HD3 LYS 36 3.332 6.162 11.741 297 HE2 LYS 36 HE2 LYS 36 0.950 6.079 12.333 298 HE3 LYS 36 HE3 LYS 36 0.592 5.165 10.867 299 HZ1 LYS 36 HZ1 LYS 36 2.085 3.403 11.734 300 HZ2 LYS 36 HZ2 LYS 36 0.706 3.659 12.672 301 HZ3 LYS 36 HZ3 LYS 36 2.199 4.260 13.189 302 H VAL 37 H VAL 37 4.219 8.558 6.045 303 HA VAL 37 HA VAL 37 7.026 9.025 6.688 304 HB VAL 37 HB VAL 37 6.593 8.611 3.786 305 HG11 VAL 37 HG11 VAL 37 8.169 6.755 4.103 306 HG12 VAL 37 HG12 VAL 37 8.045 6.935 5.856 307 HG13 VAL 37 HG13 VAL 37 8.739 8.232 4.883 308 HG21 VAL 37 HG21 VAL 37 4.560 7.419 4.460 309 HG22 VAL 37 HG22 VAL 37 5.482 6.432 5.590 310 HG23 VAL 37 HG23 VAL 37 5.769 6.294 3.851 311 HA PRO 38 HA PRO 38 7.381 13.365 5.606 312 HB2 PRO 38 HB2 PRO 38 10.034 12.629 4.383 313 HB3 PRO 38 HB3 PRO 38 9.656 13.856 5.600 314 HG2 PRO 38 HG2 PRO 38 10.834 11.536 6.261 315 HG3 PRO 38 HG3 PRO 38 9.654 12.313 7.342 316 HD2 PRO 38 HD2 PRO 38 9.329 9.919 5.567 317 HD3 PRO 38 HD3 PRO 38 8.594 10.261 7.147 318 H TRP 39 H TRP 39 8.210 11.007 3.073 319 HA TRP 39 HA TRP 39 8.055 12.985 0.925 320 HB2 TRP 39 HB2 TRP 39 8.732 11.058 -0.551 321 HB3 TRP 39 HB3 TRP 39 9.862 11.400 0.749 322 HD1 TRP 39 HD1 TRP 39 10.309 9.480 2.530 323 HE1 TRP 39 HE1 TRP 39 9.660 6.996 2.639 324 HE3 TRP 39 HE3 TRP 39 6.697 9.380 -1.124 325 HZ2 TRP 39 HZ2 TRP 39 7.851 5.238 1.404 326 HZ3 TRP 39 HZ3 TRP 39 5.550 7.252 -1.578 327 HH2 TRP 39 HH2 TRP 39 6.117 5.223 -0.342 328 H PHE 40 H PHE 40 5.828 10.980 2.492 329 HA PHE 40 HA PHE 40 4.224 10.081 0.305 330 HB2 PHE 40 HB2 PHE 40 4.225 8.991 2.543 331 HB3 PHE 40 HB3 PHE 40 3.475 10.418 3.245 332 HD1 PHE 40 HD2 PHE 40 2.937 7.572 0.915 333 HD2 PHE 40 HD1 PHE 40 1.069 10.755 3.078 334 HE1 PHE 40 HE2 PHE 40 0.720 6.625 0.413 335 HE2 PHE 40 HE1 PHE 40 -1.141 9.795 2.571 336 HZ PHE 40 HZ PHE 40 -1.318 7.731 1.237 337 H ASP 41 H ASP 41 2.453 10.970 -0.679 338 HA ASP 41 HA ASP 41 1.778 13.790 -0.133 339 HB2 ASP 41 HB2 ASP 41 2.372 12.918 -2.484 340 HB3 ASP 41 HB3 ASP 41 0.834 12.058 -2.467 341 H GLN 42 H GLN 42 -0.064 14.272 1.024 342 HA GLN 42 HA GLN 42 -1.721 12.148 2.052 343 HB2 GLN 42 HB2 GLN 42 -1.757 15.150 2.486 344 HB3 GLN 42 HB3 GLN 42 -2.867 14.055 3.304 345 HG2 GLN 42 HG2 GLN 42 0.148 13.797 3.504 346 HG3 GLN 42 HG3 GLN 42 -0.814 14.772 4.613 347 HE21 GLN 42 HE21 GLN 42 -0.126 13.468 6.357 348 HE22 GLN 42 HE22 GLN 42 -0.754 11.884 6.613 349 H GLN 43 H GLN 43 -2.084 14.070 -0.760 350 HA GLN 43 HA GLN 43 -5.044 13.809 -0.763 351 HB2 GLN 43 HB2 GLN 43 -3.227 15.399 -2.630 352 HB3 GLN 43 HB3 GLN 43 -4.989 15.396 -2.671 353 HG2 GLN 43 HG2 GLN 43 -5.044 16.401 -0.420 354 HG3 GLN 43 HG3 GLN 43 -3.281 16.405 -0.375 355 HE21 GLN 43 HE21 GLN 43 -5.082 18.677 -0.149 356 HE22 GLN 43 HE22 GLN 43 -4.680 19.751 -1.440 357 H ASN 44 H ASN 44 -2.400 13.453 -3.124 358 HA ASN 44 HA ASN 44 -3.927 11.626 -4.801 359 HB2 ASN 44 HB2 ASN 44 -1.119 12.743 -5.233 360 HB3 ASN 44 HB3 ASN 44 -2.150 11.980 -6.444 361 HD21 ASN 44 HD21 ASN 44 -1.611 14.847 -4.535 362 HD22 ASN 44 HD22 ASN 44 -2.633 15.894 -5.454 363 H GLY 45 H GLY 45 -1.605 11.331 -2.286 364 HA2 GLY 45 HA2 GLY 45 0.022 9.199 -3.159 365 HA3 GLY 45 HA3 GLY 45 -0.263 9.659 -1.495 366 H ARG 46 H ARG 46 -3.171 9.123 -1.635 367 HA ARG 46 HA ARG 46 -3.221 6.295 -1.096 368 HB2 ARG 46 HB2 ARG 46 -4.635 7.810 0.150 369 HB3 ARG 46 HB3 ARG 46 -5.416 8.377 -1.309 370 HG2 ARG 46 HG2 ARG 46 -6.607 6.329 -1.582 371 HG3 ARG 46 HG3 ARG 46 -5.649 5.514 -0.345 372 HD2 ARG 46 HD2 ARG 46 -7.998 6.244 0.351 373 HD3 ARG 46 HD3 ARG 46 -6.686 6.747 1.417 374 HE ARG 46 HE ARG 46 -7.130 8.822 -0.406 375 HH11 ARG 46 HH11 ARG 46 -8.990 7.293 2.078 376 HH12 ARG 46 HH12 ARG 46 -9.729 8.775 2.567 377 HH21 ARG 46 HH21 ARG 46 -8.083 10.692 0.260 378 HH22 ARG 46 HH22 ARG 46 -9.227 10.660 1.556 379 H THR 47 H THR 47 -4.215 8.301 -3.849 380 HA THR 47 HA THR 47 -5.275 6.279 -5.536 381 HB THR 47 HB THR 47 -3.723 8.799 -6.310 382 HG1 THR 47 HG1 THR 47 -5.491 9.774 -5.741 383 HG21 THR 47 HG21 THR 47 -5.585 7.121 -8.047 384 HG22 THR 47 HG22 THR 47 -3.830 7.210 -8.220 385 HG23 THR 47 HG23 THR 47 -4.822 8.639 -8.515 386 H TYR 48 H TYR 48 -1.953 7.452 -5.017 387 HA TYR 48 HA TYR 48 -0.646 5.662 -6.808 388 HB2 TYR 48 HB2 TYR 48 0.533 7.104 -4.398 389 HB3 TYR 48 HB3 TYR 48 1.452 6.371 -5.711 390 HD1 TYR 48 HD1 TYR 48 -0.317 7.383 -8.035 391 HD2 TYR 48 HD2 TYR 48 1.316 9.363 -4.614 392 HE1 TYR 48 HE1 TYR 48 -0.355 9.516 -9.245 393 HE2 TYR 48 HE2 TYR 48 1.272 11.498 -5.830 394 HH TYR 48 HH TYR 48 1.206 12.343 -8.069 395 H LEU 49 H LEU 49 -1.579 5.359 -3.383 396 HA LEU 49 HA LEU 49 -0.184 2.942 -2.810 397 HB2 LEU 49 HB2 LEU 49 -2.744 4.071 -1.624 398 HB3 LEU 49 HB3 LEU 49 -2.004 2.586 -1.044 399 HG LEU 49 HG LEU 49 -0.775 5.368 -0.908 400 HD11 LEU 49 HD11 LEU 49 -1.840 3.581 1.304 401 HD12 LEU 49 HD12 LEU 49 -2.612 5.042 0.685 402 HD13 LEU 49 HD13 LEU 49 -1.065 5.155 1.517 403 HD21 LEU 49 HD21 LEU 49 0.364 2.724 0.076 404 HD22 LEU 49 HD22 LEU 49 1.042 4.321 0.401 405 HD23 LEU 49 HD23 LEU 49 0.994 3.709 -1.249 406 H LYS 50 H LYS 50 -3.561 3.546 -3.807 407 HA LYS 50 HA LYS 50 -4.468 0.924 -4.093 408 HB2 LYS 50 HB2 LYS 50 -5.955 2.909 -4.110 409 HB3 LYS 50 HB3 LYS 50 -5.296 3.401 -5.665 410 HG2 LYS 50 HG2 LYS 50 -6.214 1.260 -6.653 411 HG3 LYS 50 HG3 LYS 50 -6.996 0.943 -5.103 412 HD2 LYS 50 HD2 LYS 50 -7.500 3.366 -6.882 413 HD3 LYS 50 HD3 LYS 50 -8.555 1.959 -6.754 414 HE2 LYS 50 HE2 LYS 50 -7.891 3.833 -4.453 415 HE3 LYS 50 HE3 LYS 50 -9.351 3.920 -5.436 416 HZ1 LYS 50 HZ1 LYS 50 -8.561 1.565 -3.808 417 HZ2 LYS 50 HZ2 LYS 50 -10.002 1.758 -4.670 418 HZ3 LYS 50 HZ3 LYS 50 -9.682 2.740 -3.332 419 H TYR 51 H TYR 51 -2.785 3.000 -6.428 420 HA TYR 51 HA TYR 51 -2.952 1.136 -8.611 421 HB2 TYR 51 HB2 TYR 51 -1.900 3.889 -8.231 422 HB3 TYR 51 HB3 TYR 51 -0.961 2.935 -9.378 423 HD1 TYR 51 HD1 TYR 51 -2.213 1.713 -11.224 424 HD2 TYR 51 HD2 TYR 51 -3.983 4.876 -8.975 425 HE1 TYR 51 HE1 TYR 51 -3.879 1.997 -12.978 426 HE2 TYR 51 HE2 TYR 51 -5.673 5.179 -10.738 427 HH TYR 51 HH TYR 51 -6.141 2.909 -13.252 428 H SER 52 H SER 52 -0.406 1.936 -6.254 429 HA SER 52 HA SER 52 1.613 0.222 -7.245 430 HB2 SER 52 HB2 SER 52 0.988 1.059 -4.383 431 HB3 SER 52 HB3 SER 52 2.415 0.123 -4.826 432 HG SER 52 HG SER 52 1.981 2.778 -5.013 433 H ILE 53 H ILE 53 -1.080 -0.361 -5.028 434 HA ILE 53 HA ILE 53 -0.597 -3.045 -4.372 435 HB ILE 53 HB ILE 53 -3.139 -1.370 -4.362 436 HG12 ILE 53 HG12 ILE 53 -1.356 -2.399 -2.101 437 HG13 ILE 53 HG13 ILE 53 -1.407 -0.747 -2.701 438 HG21 ILE 53 HG21 ILE 53 -4.254 -3.139 -3.046 439 HG22 ILE 53 HG22 ILE 53 -2.871 -4.207 -3.310 440 HG23 ILE 53 HG23 ILE 53 -3.861 -3.686 -4.675 441 HD11 ILE 53 HD11 ILE 53 -3.630 -2.196 -1.273 442 HD12 ILE 53 HD12 ILE 53 -3.718 -0.549 -1.902 443 HD13 ILE 53 HD13 ILE 53 -2.582 -0.942 -0.613 444 H LYS 54 H LYS 54 -2.875 -1.679 -6.810 445 HA LYS 54 HA LYS 54 -3.884 -4.163 -7.697 446 HB2 LYS 54 HB2 LYS 54 -5.156 -2.123 -8.043 447 HB3 LYS 54 HB3 LYS 54 -3.872 -1.428 -9.028 448 HG2 LYS 54 HG2 LYS 54 -4.273 -3.118 -10.773 449 HG3 LYS 54 HG3 LYS 54 -5.532 -3.860 -9.783 450 HD2 LYS 54 HD2 LYS 54 -6.937 -1.878 -9.992 451 HD3 LYS 54 HD3 LYS 54 -5.646 -0.996 -10.818 452 HE2 LYS 54 HE2 LYS 54 -7.389 -1.840 -12.387 453 HE3 LYS 54 HE3 LYS 54 -5.790 -2.494 -12.736 454 HZ1 LYS 54 HZ1 LYS 54 -7.981 -3.895 -11.305 455 HZ2 LYS 54 HZ2 LYS 54 -6.439 -4.534 -11.569 456 HZ3 LYS 54 HZ3 LYS 54 -7.455 -4.208 -12.880 457 H ALA 55 H ALA 55 -1.269 -2.119 -8.931 458 HA ALA 55 HA ALA 55 -0.539 -3.666 -11.183 459 HB1 ALA 55 HB1 ALA 55 0.185 -1.341 -10.870 460 HB2 ALA 55 HB2 ALA 55 1.572 -2.409 -11.126 461 HB3 ALA 55 HB3 ALA 55 1.196 -1.830 -9.501 462 H LEU 56 H LEU 56 0.594 -3.803 -7.773 463 HA LEU 56 HA LEU 56 2.444 -5.955 -8.168 464 HB2 LEU 56 HB2 LEU 56 1.133 -4.875 -5.659 465 HB3 LEU 56 HB3 LEU 56 2.297 -6.192 -5.627 466 HG LEU 56 HG LEU 56 2.878 -3.367 -6.611 467 HD11 LEU 56 HD11 LEU 56 4.243 -3.117 -4.580 468 HD12 LEU 56 HD12 LEU 56 3.717 -4.709 -4.022 469 HD13 LEU 56 HD13 LEU 56 2.546 -3.399 -4.193 470 HD21 LEU 56 HD21 LEU 56 5.235 -4.055 -6.694 471 HD22 LEU 56 HD22 LEU 56 4.255 -5.024 -7.791 472 HD23 LEU 56 HD23 LEU 56 4.784 -5.705 -6.250 473 H VAL 57 H VAL 57 -1.036 -5.902 -7.544 474 HA VAL 57 HA VAL 57 -1.336 -8.681 -6.903 475 HB VAL 57 HB VAL 57 -3.386 -6.706 -8.034 476 HG11 VAL 57 HG11 VAL 57 -5.142 -8.321 -7.342 477 HG12 VAL 57 HG12 VAL 57 -3.893 -9.488 -6.897 478 HG13 VAL 57 HG13 VAL 57 -4.090 -9.003 -8.582 479 HG21 VAL 57 HG21 VAL 57 -3.007 -7.720 -5.181 480 HG22 VAL 57 HG22 VAL 57 -4.269 -6.606 -5.720 481 HG23 VAL 57 HG23 VAL 57 -2.578 -6.114 -5.768 482 H GLN 58 H GLN 58 -1.366 -6.807 -9.899 483 HA GLN 58 HA GLN 58 -1.819 -8.890 -11.765 484 HB2 GLN 58 HB2 GLN 58 -2.044 -6.384 -12.120 485 HB3 GLN 58 HB3 GLN 58 -0.295 -6.272 -12.164 486 HG2 GLN 58 HG2 GLN 58 -1.794 -8.023 -14.119 487 HG3 GLN 58 HG3 GLN 58 -1.644 -6.292 -14.389 488 HE21 GLN 58 HE21 GLN 58 0.003 -9.347 -14.475 489 HE22 GLN 58 HE22 GLN 58 1.462 -8.767 -15.191 490 H ASN 59 H ASN 59 1.171 -7.565 -10.296 491 HA ASN 59 HA ASN 59 2.956 -9.337 -11.761 492 HB2 ASN 59 HB2 ASN 59 3.385 -7.265 -9.584 493 HB3 ASN 59 HB3 ASN 59 4.683 -8.369 -10.025 494 HD21 ASN 59 HD21 ASN 59 2.866 -5.588 -11.006 495 HD22 ASN 59 HD22 ASN 59 3.774 -5.237 -12.422 496 H ASP 60 H ASP 60 0.855 -10.020 -9.344 497 HA ASP 60 HA ASP 60 0.533 -11.703 -7.874 498 HB2 ASP 60 HB2 ASP 60 2.874 -13.004 -9.322 499 HB3 ASP 60 HB3 ASP 60 1.776 -13.843 -8.231 500 H THR 61 H THR 61 2.442 -9.533 -7.215 501 HA THR 61 HA THR 61 4.098 -10.616 -5.087 502 HB THR 61 HB THR 61 3.419 -7.712 -5.753 503 HG1 THR 61 HG1 THR 61 5.069 -9.487 -6.972 504 HG21 THR 61 HG21 THR 61 4.253 -7.935 -3.434 505 HG22 THR 61 HG22 THR 61 5.448 -7.137 -4.456 506 HG23 THR 61 HG23 THR 61 5.659 -8.832 -4.017 507 H LEU 62 H LEU 62 1.008 -8.908 -5.469 508 HA LEU 62 HA LEU 62 0.342 -9.360 -2.614 509 HB2 LEU 62 HB2 LEU 62 -0.663 -7.143 -4.438 510 HB3 LEU 62 HB3 LEU 62 -1.233 -7.431 -2.799 511 HG LEU 62 HG LEU 62 1.559 -6.523 -3.606 512 HD11 LEU 62 HD11 LEU 62 0.992 -4.454 -2.415 513 HD12 LEU 62 HD12 LEU 62 -0.632 -5.071 -2.094 514 HD13 LEU 62 HD13 LEU 62 -0.116 -4.753 -3.752 515 HD21 LEU 62 HD21 LEU 62 2.042 -6.341 -1.185 516 HD22 LEU 62 HD22 LEU 62 1.768 -8.006 -1.686 517 HD23 LEU 62 HD23 LEU 62 0.502 -7.128 -0.824 518 H LEU 63 H LEU 63 -1.760 -10.011 -2.098 519 HA LEU 63 HA LEU 63 -3.384 -11.258 -4.240 520 HB2 LEU 63 HB2 LEU 63 -3.151 -11.895 -1.267 521 HB3 LEU 63 HB3 LEU 63 -4.403 -12.582 -2.289 522 HG LEU 63 HG LEU 63 -1.415 -13.038 -2.625 523 HD11 LEU 63 HD11 LEU 63 -3.552 -14.910 -1.568 524 HD12 LEU 63 HD12 LEU 63 -2.255 -14.161 -0.635 525 HD13 LEU 63 HD13 LEU 63 -1.868 -15.339 -1.885 526 HD21 LEU 63 HD21 LEU 63 -2.547 -13.119 -4.794 527 HD22 LEU 63 HD22 LEU 63 -3.743 -14.252 -4.160 528 HD23 LEU 63 HD23 LEU 63 -2.051 -14.737 -4.307 529 H GLN 64 H GLN 64 -5.449 -10.562 -4.544 530 HA GLN 64 HA GLN 64 -6.617 -8.471 -2.910 531 HB2 GLN 64 HB2 GLN 64 -6.926 -8.564 -5.406 532 HB3 GLN 64 HB3 GLN 64 -7.852 -10.049 -5.213 533 HG2 GLN 64 HG2 GLN 64 -9.550 -8.830 -3.905 534 HG3 GLN 64 HG3 GLN 64 -8.616 -7.344 -4.077 535 HE21 GLN 64 HE21 GLN 64 -10.321 -6.286 -5.119 536 HE22 GLN 64 HE22 GLN 64 -10.798 -6.657 -6.735 537 H VAL 65 H VAL 65 -7.228 -9.153 -0.922 538 HA VAL 65 HA VAL 65 -8.662 -11.721 -0.577 539 HB VAL 65 HB VAL 65 -7.459 -10.071 1.685 540 HG11 VAL 65 HG11 VAL 65 -7.494 -12.210 2.919 541 HG12 VAL 65 HG12 VAL 65 -8.174 -13.025 1.509 542 HG13 VAL 65 HG13 VAL 65 -9.109 -11.785 2.345 543 HG21 VAL 65 HG21 VAL 65 -5.623 -10.546 0.141 544 HG22 VAL 65 HG22 VAL 65 -6.055 -12.255 0.099 545 HG23 VAL 65 HG23 VAL 65 -5.452 -11.534 1.595 546 H LYS 66 H LYS 66 -10.819 -11.606 -0.261 547 HA LYS 66 HA LYS 66 -12.095 -9.063 0.455 548 HB2 LYS 66 HB2 LYS 66 -14.218 -10.204 -0.174 549 HB3 LYS 66 HB3 LYS 66 -13.019 -10.197 -1.460 550 HG2 LYS 66 HG2 LYS 66 -12.454 -12.552 -0.942 551 HG3 LYS 66 HG3 LYS 66 -13.684 -12.566 0.323 552 HD2 LYS 66 HD2 LYS 66 -14.255 -12.037 -2.626 553 HD3 LYS 66 HD3 LYS 66 -14.428 -13.611 -1.849 554 HE2 LYS 66 HE2 LYS 66 -15.960 -11.120 -1.011 555 HE3 LYS 66 HE3 LYS 66 -16.587 -12.356 -2.101 556 HZ1 LYS 66 HZ1 LYS 66 -16.274 -13.984 -0.291 557 HZ2 LYS 66 HZ2 LYS 66 -17.385 -12.772 0.090 558 HZ3 LYS 66 HZ3 LYS 66 -15.832 -12.724 0.746 559 H GLY 67 H GLY 67 -12.822 -8.569 2.443 560 HA2 GLY 67 HA2 GLY 67 -14.071 -8.719 4.364 561 HA3 GLY 67 HA3 GLY 67 -14.475 -10.367 3.934 562 H THR 68 H THR 68 -11.349 -8.782 4.822 563 HA THR 68 HA THR 68 -11.208 -10.515 7.254 564 HB THR 68 HB THR 68 -8.741 -10.358 7.162 565 HG1 THR 68 HG1 THR 68 -7.748 -9.036 5.851 566 HG21 THR 68 HG21 THR 68 -9.862 -11.325 4.505 567 HG22 THR 68 HG22 THR 68 -9.772 -12.272 5.992 568 HG23 THR 68 HG23 THR 68 -8.292 -11.755 5.185 569 H GLY 69 H GLY 69 -12.580 -8.027 7.094 570 HA2 GLY 69 HA2 GLY 69 -12.343 -6.479 9.160 571 HA3 GLY 69 HA3 GLY 69 -10.856 -5.970 8.359 572 H ALA 70 H ALA 70 -11.513 -5.896 5.779 573 HA ALA 70 HA ALA 70 -13.976 -4.312 5.382 574 HB1 ALA 70 HB1 ALA 70 -12.112 -2.694 5.575 575 HB2 ALA 70 HB2 ALA 70 -12.758 -2.724 3.936 576 HB3 ALA 70 HB3 ALA 70 -11.232 -3.534 4.295 577 H ASN 71 H ASN 71 -14.469 -4.109 3.010 578 HA ASN 71 HA ASN 71 -14.686 -6.581 1.718 579 HB2 ASN 71 HB2 ASN 71 -15.503 -5.258 -0.248 580 HB3 ASN 71 HB3 ASN 71 -16.271 -4.793 1.263 581 HD21 ASN 71 HD21 ASN 71 -15.993 -3.271 -1.220 582 HD22 ASN 71 HD22 ASN 71 -15.194 -1.802 -0.798 583 H GLY 72 H GLY 72 -12.363 -3.944 1.162 584 HA2 GLY 72 HA2 GLY 72 -10.848 -5.609 -0.788 585 HA3 GLY 72 HA3 GLY 72 -10.858 -3.856 -0.747 586 H SER 73 H SER 73 -9.769 -6.745 0.990 587 HA SER 73 HA SER 73 -7.603 -5.210 2.316 588 HB2 SER 73 HB2 SER 73 -8.611 -8.039 2.863 589 HB3 SER 73 HB3 SER 73 -7.305 -7.236 3.737 590 HG SER 73 HG SER 73 -9.128 -6.955 4.932 591 H PHE 74 H PHE 74 -5.393 -6.152 2.202 592 HA PHE 74 HA PHE 74 -4.813 -7.846 -0.133 593 HB2 PHE 74 HB2 PHE 74 -3.675 -5.022 0.180 594 HB3 PHE 74 HB3 PHE 74 -3.234 -6.168 -1.081 595 HD1 PHE 74 HD1 PHE 74 -5.033 -6.898 -2.757 596 HD2 PHE 74 HD2 PHE 74 -5.572 -3.572 -0.112 597 HE1 PHE 74 HE1 PHE 74 -6.858 -6.053 -4.178 598 HE2 PHE 74 HE2 PHE 74 -7.396 -2.737 -1.545 599 HZ PHE 74 HZ PHE 74 -8.038 -3.977 -3.577 600 H LYS 75 H LYS 75 -2.871 -8.975 0.029 601 HA LYS 75 HA LYS 75 -1.002 -8.375 2.230 602 HB2 LYS 75 HB2 LYS 75 -1.038 -10.661 3.113 603 HB3 LYS 75 HB3 LYS 75 -2.638 -9.942 3.224 604 HG2 LYS 75 HG2 LYS 75 -3.423 -11.232 1.322 605 HG3 LYS 75 HG3 LYS 75 -1.801 -11.847 1.022 606 HD2 LYS 75 HD2 LYS 75 -1.858 -12.961 3.268 607 HD3 LYS 75 HD3 LYS 75 -3.529 -12.429 3.450 608 HE2 LYS 75 HE2 LYS 75 -4.182 -13.781 1.502 609 HE3 LYS 75 HE3 LYS 75 -2.501 -14.273 1.269 610 HZ1 LYS 75 HZ1 LYS 75 -3.647 -15.996 2.418 611 HZ2 LYS 75 HZ2 LYS 75 -4.247 -14.925 3.577 612 HZ3 LYS 75 HZ3 LYS 75 -2.595 -15.265 3.522 613 H LEU 76 H LEU 76 0.915 -9.946 2.185 614 HA LEU 76 HA LEU 76 2.116 -10.014 -0.425 615 HB2 LEU 76 HB2 LEU 76 3.070 -11.229 2.204 616 HB3 LEU 76 HB3 LEU 76 4.058 -11.022 0.764 617 HG LEU 76 HG LEU 76 2.883 -8.749 2.427 618 HD11 LEU 76 HD11 LEU 76 5.185 -8.303 3.158 619 HD12 LEU 76 HD12 LEU 76 5.756 -9.717 2.270 620 HD13 LEU 76 HD13 LEU 76 4.664 -9.916 3.643 621 HD21 LEU 76 HD21 LEU 76 3.098 -8.098 0.075 622 HD22 LEU 76 HD22 LEU 76 4.782 -8.620 0.057 623 HD23 LEU 76 HD23 LEU 76 4.288 -7.255 1.060 624 H ASN 77 H ASN 77 2.473 -11.793 -1.788 625 HA ASN 77 HA ASN 77 0.964 -14.234 -1.394 626 HB2 ASN 77 HB2 ASN 77 2.996 -13.509 -3.548 627 HB3 ASN 77 HB3 ASN 77 2.034 -14.983 -3.546 628 HD21 ASN 77 HD21 ASN 77 0.997 -14.480 -5.486 629 HD22 ASN 77 HD22 ASN 77 -0.159 -13.206 -5.607 630 H ARG 78 H ARG 78 1.855 -16.370 -1.434 631 HA ARG 78 HA ARG 78 4.302 -16.781 0.074 632 HB2 ARG 78 HB2 ARG 78 2.304 -18.155 0.499 633 HB3 ARG 78 HB3 ARG 78 2.300 -18.716 -1.162 634 HG2 ARG 78 HG2 ARG 78 3.124 -20.481 0.241 635 HG3 ARG 78 HG3 ARG 78 4.464 -19.891 -0.737 636 HD2 ARG 78 HD2 ARG 78 4.007 -18.970 2.120 637 HD3 ARG 78 HD3 ARG 78 4.955 -20.403 1.726 638 HE ARG 78 HE ARG 78 5.957 -18.200 0.276 639 HH11 ARG 78 HH11 ARG 78 5.892 -19.368 3.531 640 HH12 ARG 78 HH12 ARG 78 7.370 -18.579 3.938 641 HH21 ARG 78 HH21 ARG 78 7.817 -17.189 0.842 642 HH22 ARG 78 HH22 ARG 78 8.447 -17.373 2.444 643 H LYS 79 H LYS 79 3.244 -17.036 -3.300 644 HA LYS 79 HA LYS 79 5.848 -18.175 -4.149 645 HB2 LYS 79 HB2 LYS 79 4.760 -18.732 -6.265 646 HB3 LYS 79 HB3 LYS 79 3.766 -19.314 -4.932 647 HG2 LYS 79 HG2 LYS 79 2.238 -17.407 -5.212 648 HG3 LYS 79 HG3 LYS 79 3.248 -16.763 -6.502 649 HD2 LYS 79 HD2 LYS 79 1.332 -17.890 -7.491 650 HD3 LYS 79 HD3 LYS 79 2.792 -18.810 -7.858 651 HE2 LYS 79 HE2 LYS 79 2.234 -20.390 -6.021 652 HE3 LYS 79 HE3 LYS 79 0.758 -19.477 -5.699 653 HZ1 LYS 79 HZ1 LYS 79 0.341 -21.426 -7.051 654 HZ2 LYS 79 HZ2 LYS 79 1.404 -20.867 -8.243 655 HZ3 LYS 79 HZ3 LYS 79 -0.020 -20.014 -7.911 656 H LYS 80 H LYS 80 5.118 -15.175 -3.477 657 HA LYS 80 HA LYS 80 5.364 -13.703 -5.906 658 HB2 LYS 80 HB2 LYS 80 5.623 -11.712 -4.531 659 HB3 LYS 80 HB3 LYS 80 4.361 -12.739 -3.887 660 HG2 LYS 80 HG2 LYS 80 5.361 -12.172 -1.911 661 HG3 LYS 80 HG3 LYS 80 6.343 -13.589 -2.290 662 HD2 LYS 80 HD2 LYS 80 8.114 -12.155 -3.197 663 HD3 LYS 80 HD3 LYS 80 7.112 -10.721 -2.960 664 HE2 LYS 80 HE2 LYS 80 7.191 -11.090 -0.509 665 HE3 LYS 80 HE3 LYS 80 8.212 -12.508 -0.763 666 HZ1 LYS 80 HZ1 LYS 80 9.465 -10.492 -0.188 667 HZ2 LYS 80 HZ2 LYS 80 8.928 -9.751 -1.606 668 HZ3 LYS 80 HZ3 LYS 80 9.912 -11.120 -1.689 669 H LEU 81 H LEU 81 7.672 -15.501 -4.313 670 HA LEU 81 HA LEU 81 10.120 -14.195 -4.690 671 HB2 LEU 81 HB2 LEU 81 9.548 -16.342 -3.424 672 HB3 LEU 81 HB3 LEU 81 9.556 -17.178 -4.962 673 HG LEU 81 HG LEU 81 12.010 -15.776 -3.813 674 HD11 LEU 81 HD11 LEU 81 11.231 -18.706 -3.541 675 HD12 LEU 81 HD12 LEU 81 11.295 -17.513 -2.240 676 HD13 LEU 81 HD13 LEU 81 12.779 -18.000 -3.055 677 HD21 LEU 81 HD21 LEU 81 13.290 -17.247 -5.352 678 HD22 LEU 81 HD22 LEU 81 12.198 -16.179 -6.226 679 HD23 LEU 81 HD23 LEU 81 11.773 -17.877 -6.006 680 H GLU 82 H GLU 82 8.288 -16.348 -6.899 681 HA GLU 82 HA GLU 82 9.817 -15.360 -9.231 682 HB2 GLU 82 HB2 GLU 82 10.230 -17.601 -10.084 683 HB3 GLU 82 HB3 GLU 82 10.916 -17.464 -8.475 684 HG2 GLU 82 HG2 GLU 82 8.286 -18.849 -9.123 685 HG3 GLU 82 HG3 GLU 82 9.832 -19.670 -8.949 686 H GLY 83 H GLY 83 6.956 -17.163 -8.067 687 HA2 GLY 83 HA2 GLY 83 5.570 -17.003 -10.635 688 HA3 GLY 83 HA3 GLY 83 4.974 -17.726 -9.151 Start of MODEL 12 1 H1 SER 1 H1 SER 1 9.722 17.208 -11.389 2 H2 SER 1 H2 SER 1 10.753 15.885 -11.189 3 H3 SER 1 H3 SER 1 11.230 17.414 -10.645 4 HA SER 1 HA SER 1 9.532 17.448 -8.987 5 HB2 SER 1 HB2 SER 1 8.755 14.678 -10.020 6 HB3 SER 1 HB3 SER 1 8.037 15.487 -8.625 7 HG SER 1 HG SER 1 7.290 15.669 -11.146 8 H HIS 2 H HIS 2 10.364 13.970 -9.196 9 HA HIS 2 HA HIS 2 12.776 14.251 -7.579 10 HB2 HIS 2 HB2 HIS 2 10.291 12.851 -6.496 11 HB3 HIS 2 HB3 HIS 2 11.903 12.496 -5.893 12 HD1 HIS 2 HD1 HIS 2 9.105 14.827 -5.482 13 HD2 HIS 2 HD2 HIS 2 13.153 14.748 -4.540 14 HE1 HIS 2 HE1 HIS 2 9.436 16.661 -3.806 15 HE2 HIS 2 HE2 HIS 2 11.909 16.678 -3.352 16 H MET 3 H MET 3 14.141 12.416 -7.680 17 HA MET 3 HA MET 3 13.550 10.423 -9.723 18 HB2 MET 3 HB2 MET 3 15.836 9.620 -9.374 19 HB3 MET 3 HB3 MET 3 15.831 11.365 -9.559 20 HG2 MET 3 HG2 MET 3 16.101 11.622 -7.123 21 HG3 MET 3 HG3 MET 3 16.100 9.865 -6.945 22 HE1 MET 3 HE1 MET 3 19.887 10.758 -6.298 23 HE2 MET 3 HE2 MET 3 18.482 9.892 -5.677 24 HE3 MET 3 HE3 MET 3 18.465 11.656 -5.769 25 H GLN 4 H GLN 4 13.998 8.074 -9.237 26 HA GLN 4 HA GLN 4 13.173 6.140 -8.399 27 HB2 GLN 4 HB2 GLN 4 13.695 7.265 -5.621 28 HB3 GLN 4 HB3 GLN 4 13.718 5.581 -6.116 29 HG2 GLN 4 HG2 GLN 4 15.754 7.627 -7.061 30 HG3 GLN 4 HG3 GLN 4 15.968 6.646 -5.621 31 HE21 GLN 4 HE21 GLN 4 14.690 5.497 -8.774 32 HE22 GLN 4 HE22 GLN 4 16.002 4.436 -9.075 33 HA PRO 5 HA PRO 5 9.137 8.349 -7.113 34 HB2 PRO 5 HB2 PRO 5 7.727 8.440 -9.404 35 HB3 PRO 5 HB3 PRO 5 9.060 9.569 -9.109 36 HG2 PRO 5 HG2 PRO 5 9.045 7.041 -10.755 37 HG3 PRO 5 HG3 PRO 5 9.745 8.625 -11.152 38 HD2 PRO 5 HD2 PRO 5 11.197 6.482 -10.136 39 HD3 PRO 5 HD3 PRO 5 11.695 8.179 -9.976 40 H GLY 6 H GLY 6 9.781 5.213 -8.405 41 HA2 GLY 6 HA2 GLY 6 7.101 4.108 -7.957 42 HA3 GLY 6 HA3 GLY 6 8.540 3.221 -8.436 43 H LYS 7 H LYS 7 8.710 5.350 -5.719 44 HA LYS 7 HA LYS 7 9.530 3.320 -3.896 45 HB2 LYS 7 HB2 LYS 7 10.379 5.705 -4.011 46 HB3 LYS 7 HB3 LYS 7 8.841 6.239 -3.346 47 HG2 LYS 7 HG2 LYS 7 9.281 5.034 -1.265 48 HG3 LYS 7 HG3 LYS 7 10.778 4.377 -1.929 49 HD2 LYS 7 HD2 LYS 7 10.223 7.340 -1.461 50 HD3 LYS 7 HD3 LYS 7 11.161 6.306 -0.379 51 HE2 LYS 7 HE2 LYS 7 11.889 6.908 -3.274 52 HE3 LYS 7 HE3 LYS 7 12.597 7.696 -1.863 53 HZ1 LYS 7 HZ1 LYS 7 13.421 5.537 -1.132 54 HZ2 LYS 7 HZ2 LYS 7 14.005 5.926 -2.664 55 HZ3 LYS 7 HZ3 LYS 7 12.760 4.797 -2.500 56 H TYR 8 H TYR 8 6.417 4.569 -4.724 57 HA TYR 8 HA TYR 8 5.047 4.204 -2.242 58 HB2 TYR 8 HB2 TYR 8 4.116 4.529 -5.110 59 HB3 TYR 8 HB3 TYR 8 2.960 4.149 -3.838 60 HD1 TYR 8 HD2 TYR 8 5.256 6.762 -5.138 61 HD2 TYR 8 HD1 TYR 8 2.369 5.799 -2.134 62 HE1 TYR 8 HE2 TYR 8 5.077 9.145 -4.533 63 HE2 TYR 8 HE1 TYR 8 2.197 8.171 -1.541 64 HH TYR 8 HH TYR 8 3.476 10.666 -3.451 65 H SER 9 H SER 9 5.620 2.030 -5.019 66 HA SER 9 HA SER 9 3.974 -0.123 -4.153 67 HB2 SER 9 HB2 SER 9 5.231 -1.512 -5.740 68 HB3 SER 9 HB3 SER 9 4.908 0.062 -6.464 69 HG SER 9 HG SER 9 6.988 0.529 -6.435 70 H GLN 10 H GLN 10 7.434 0.539 -3.684 71 HA GLN 10 HA GLN 10 8.138 -1.635 -2.028 72 HB2 GLN 10 HB2 GLN 10 9.277 1.192 -2.149 73 HB3 GLN 10 HB3 GLN 10 10.051 -0.152 -1.312 74 HG2 GLN 10 HG2 GLN 10 10.376 -1.339 -3.411 75 HG3 GLN 10 HG3 GLN 10 9.452 -0.115 -4.284 76 HE21 GLN 10 HE21 GLN 10 12.468 -0.740 -2.566 77 HE22 GLN 10 HE22 GLN 10 13.339 0.588 -3.244 78 H LEU 11 H LEU 11 6.846 1.571 -1.268 79 HA LEU 11 HA LEU 11 6.875 1.525 1.521 80 HB2 LEU 11 HB2 LEU 11 6.383 3.559 0.297 81 HB3 LEU 11 HB3 LEU 11 4.956 2.844 -0.427 82 HG LEU 11 HG LEU 11 3.836 2.825 1.804 83 HD11 LEU 11 HD11 LEU 11 6.308 4.275 2.798 84 HD12 LEU 11 HD12 LEU 11 5.776 2.657 3.273 85 HD13 LEU 11 HD13 LEU 11 4.800 4.061 3.692 86 HD21 LEU 11 HD21 LEU 11 3.497 4.720 0.256 87 HD22 LEU 11 HD22 LEU 11 4.854 5.570 0.999 88 HD23 LEU 11 HD23 LEU 11 3.404 5.224 1.942 89 H VAL 12 H VAL 12 4.293 0.389 -0.707 90 HA VAL 12 HA VAL 12 2.423 -0.519 1.197 91 HB VAL 12 HB VAL 12 2.936 -1.616 -1.608 92 HG11 VAL 12 HG11 VAL 12 0.614 -2.504 -1.501 93 HG12 VAL 12 HG12 VAL 12 0.508 -2.005 0.189 94 HG13 VAL 12 HG13 VAL 12 1.660 -3.252 -0.294 95 HG21 VAL 12 HG21 VAL 12 2.368 0.799 -1.589 96 HG22 VAL 12 HG22 VAL 12 0.897 0.450 -0.683 97 HG23 VAL 12 HG23 VAL 12 1.085 -0.158 -2.330 98 H VAL 13 H VAL 13 5.031 -2.309 -0.446 99 HA VAL 13 HA VAL 13 4.747 -4.845 0.677 100 HB VAL 13 HB VAL 13 7.261 -3.382 -0.258 101 HG11 VAL 13 HG11 VAL 13 8.390 -5.600 -0.380 102 HG12 VAL 13 HG12 VAL 13 7.006 -6.343 0.427 103 HG13 VAL 13 HG13 VAL 13 7.991 -5.154 1.279 104 HG21 VAL 13 HG21 VAL 13 5.562 -3.791 -2.013 105 HG22 VAL 13 HG22 VAL 13 5.558 -5.513 -1.628 106 HG23 VAL 13 HG23 VAL 13 7.007 -4.764 -2.302 107 H GLU 14 H GLU 14 6.679 -2.112 1.878 108 HA GLU 14 HA GLU 14 7.606 -3.413 4.257 109 HB2 GLU 14 HB2 GLU 14 7.580 -0.459 3.534 110 HB3 GLU 14 HB3 GLU 14 8.452 -1.163 4.895 111 HG2 GLU 14 HG2 GLU 14 9.768 -2.536 3.249 112 HG3 GLU 14 HG3 GLU 14 8.974 -1.655 1.946 113 H THR 15 H THR 15 4.768 -1.503 3.501 114 HA THR 15 HA THR 15 3.983 -0.746 6.141 115 HB THR 15 HB THR 15 2.504 -0.941 3.503 116 HG1 THR 15 HG1 THR 15 3.424 0.960 3.456 117 HG21 THR 15 HG21 THR 15 1.255 -0.113 6.140 118 HG22 THR 15 HG22 THR 15 0.771 -1.478 5.135 119 HG23 THR 15 HG23 THR 15 0.539 0.170 4.552 120 H ILE 16 H ILE 16 2.890 -3.391 4.009 121 HA ILE 16 HA ILE 16 1.235 -4.678 5.952 122 HB ILE 16 HB ILE 16 2.448 -5.888 3.423 123 HG12 ILE 16 HG12 ILE 16 -0.254 -4.479 3.750 124 HG13 ILE 16 HG13 ILE 16 1.159 -3.750 2.999 125 HG21 ILE 16 HG21 ILE 16 0.518 -7.447 3.495 126 HG22 ILE 16 HG22 ILE 16 -0.018 -6.724 5.012 127 HG23 ILE 16 HG23 ILE 16 1.513 -7.598 4.943 128 HD11 ILE 16 HD11 ILE 16 1.075 -5.442 1.220 129 HD12 ILE 16 HD12 ILE 16 -0.418 -4.510 1.337 130 HD13 ILE 16 HD13 ILE 16 -0.356 -6.150 1.977 131 H ARG 17 H ARG 17 4.647 -4.938 5.079 132 HA ARG 17 HA ARG 17 5.390 -7.108 6.742 133 HB2 ARG 17 HB2 ARG 17 6.914 -6.240 5.039 134 HB3 ARG 17 HB3 ARG 17 6.982 -4.673 5.837 135 HG2 ARG 17 HG2 ARG 17 8.149 -5.682 7.757 136 HG3 ARG 17 HG3 ARG 17 8.040 -7.272 7.002 137 HD2 ARG 17 HD2 ARG 17 9.500 -6.524 5.169 138 HD3 ARG 17 HD3 ARG 17 9.555 -4.894 5.859 139 HE ARG 17 HE ARG 17 10.422 -6.501 7.889 140 HH11 ARG 17 HH11 ARG 17 11.542 -6.041 4.638 141 HH12 ARG 17 HH12 ARG 17 13.172 -6.423 5.058 142 HH21 ARG 17 HH21 ARG 17 12.488 -6.972 8.371 143 HH22 ARG 17 HH22 ARG 17 13.702 -6.925 7.142 144 H ARG 18 H ARG 18 5.078 -3.591 7.495 145 HA ARG 18 HA ARG 18 5.935 -3.697 10.217 146 HB2 ARG 18 HB2 ARG 18 4.068 -1.733 8.821 147 HB3 ARG 18 HB3 ARG 18 4.634 -1.515 10.473 148 HG2 ARG 18 HG2 ARG 18 6.390 -1.592 8.002 149 HG3 ARG 18 HG3 ARG 18 5.886 -0.139 8.861 150 HD2 ARG 18 HD2 ARG 18 7.120 -0.876 10.856 151 HD3 ARG 18 HD3 ARG 18 7.589 -2.372 10.033 152 HE ARG 18 HE ARG 18 8.435 -0.253 8.437 153 HH11 ARG 18 HH11 ARG 18 9.216 -1.477 11.590 154 HH12 ARG 18 HH12 ARG 18 10.831 -0.876 11.518 155 HH21 ARG 18 HH21 ARG 18 10.485 0.490 8.388 156 HH22 ARG 18 HH22 ARG 18 11.547 0.209 9.723 157 H LEU 19 H LEU 19 2.784 -4.101 8.681 158 HA LEU 19 HA LEU 19 1.231 -4.508 11.044 159 HB2 LEU 19 HB2 LEU 19 0.772 -5.278 8.133 160 HB3 LEU 19 HB3 LEU 19 -0.448 -5.461 9.388 161 HG LEU 19 HG LEU 19 0.794 -2.778 8.634 162 HD11 LEU 19 HD11 LEU 19 -1.288 -2.259 7.441 163 HD12 LEU 19 HD12 LEU 19 -1.864 -3.907 7.710 164 HD13 LEU 19 HD13 LEU 19 -0.440 -3.620 6.707 165 HD21 LEU 19 HD21 LEU 19 -1.652 -3.426 10.319 166 HD22 LEU 19 HD22 LEU 19 -1.084 -1.810 9.892 167 HD23 LEU 19 HD23 LEU 19 -0.096 -2.843 10.920 168 H GLY 20 H GLY 20 3.211 -6.601 9.021 169 HA2 GLY 20 HA2 GLY 20 3.806 -8.817 9.090 170 HA3 GLY 20 HA3 GLY 20 3.390 -8.779 10.797 171 H GLU 21 H GLU 21 1.188 -8.198 8.078 172 HA GLU 21 HA GLU 21 -0.787 -9.863 9.348 173 HB2 GLU 21 HB2 GLU 21 -0.831 -7.705 7.371 174 HB3 GLU 21 HB3 GLU 21 -1.895 -9.012 6.879 175 HG2 GLU 21 HG2 GLU 21 -1.995 -7.551 9.538 176 HG3 GLU 21 HG3 GLU 21 -3.085 -7.303 8.174 177 H ARG 22 H ARG 22 -2.124 -11.413 8.232 178 HA ARG 22 HA ARG 22 -0.683 -13.152 6.321 179 HB2 ARG 22 HB2 ARG 22 -0.129 -13.873 8.631 180 HB3 ARG 22 HB3 ARG 22 -1.841 -14.014 9.009 181 HG2 ARG 22 HG2 ARG 22 -2.083 -15.871 7.444 182 HG3 ARG 22 HG3 ARG 22 -0.408 -15.680 6.912 183 HD2 ARG 22 HD2 ARG 22 -1.325 -16.500 9.695 184 HD3 ARG 22 HD3 ARG 22 -0.603 -17.564 8.480 185 HE ARG 22 HE ARG 22 0.817 -15.302 9.774 186 HH11 ARG 22 HH11 ARG 22 0.923 -18.506 8.450 187 HH12 ARG 22 HH12 ARG 22 2.593 -18.702 8.838 188 HH21 ARG 22 HH21 ARG 22 2.941 -15.603 10.243 189 HH22 ARG 22 HH22 ARG 22 3.713 -17.093 9.832 190 H ASN 23 H ASN 23 -3.723 -12.223 7.891 191 HA ASN 23 HA ASN 23 -5.362 -13.872 6.145 192 HB2 ASN 23 HB2 ASN 23 -6.057 -13.323 8.487 193 HB3 ASN 23 HB3 ASN 23 -6.203 -11.629 8.026 194 HD21 ASN 23 HD21 ASN 23 -7.571 -14.828 7.657 195 HD22 ASN 23 HD22 ASN 23 -9.090 -14.313 7.021 196 H GLY 24 H GLY 24 -4.761 -10.366 6.544 197 HA2 GLY 24 HA2 GLY 24 -4.215 -9.425 4.158 198 HA3 GLY 24 HA3 GLY 24 -5.923 -9.733 3.906 199 H SER 25 H SER 25 -4.169 -7.207 4.116 200 HA SER 25 HA SER 25 -5.506 -5.709 6.296 201 HB2 SER 25 HB2 SER 25 -3.100 -4.915 4.584 202 HB3 SER 25 HB3 SER 25 -3.711 -4.039 5.991 203 HG SER 25 HG SER 25 -3.318 -6.316 6.983 204 H SER 26 H SER 26 -7.177 -4.379 5.761 205 HA SER 26 HA SER 26 -8.205 -3.901 3.209 206 HB2 SER 26 HB2 SER 26 -8.524 -2.063 5.619 207 HB3 SER 26 HB3 SER 26 -9.626 -2.205 4.246 208 HG SER 26 HG SER 26 -10.304 -3.386 6.111 209 H LEU 27 H LEU 27 -8.250 -1.958 1.852 210 HA LEU 27 HA LEU 27 -5.820 -0.708 1.273 211 HB2 LEU 27 HB2 LEU 27 -7.664 -0.802 -0.341 212 HB3 LEU 27 HB3 LEU 27 -8.655 0.228 0.674 213 HG LEU 27 HG LEU 27 -7.089 2.140 0.243 214 HD11 LEU 27 HD11 LEU 27 -5.695 0.253 -1.678 215 HD12 LEU 27 HD12 LEU 27 -5.023 0.910 -0.183 216 HD13 LEU 27 HD13 LEU 27 -5.396 1.987 -1.525 217 HD21 LEU 27 HD21 LEU 27 -9.102 1.879 -1.154 218 HD22 LEU 27 HD22 LEU 27 -8.197 0.876 -2.289 219 HD23 LEU 27 HD23 LEU 27 -7.771 2.575 -2.078 220 H ALA 28 H ALA 28 -8.445 0.429 3.368 221 HA ALA 28 HA ALA 28 -7.361 2.973 4.058 222 HB1 ALA 28 HB1 ALA 28 -9.358 1.261 5.579 223 HB2 ALA 28 HB2 ALA 28 -9.746 2.433 4.318 224 HB3 ALA 28 HB3 ALA 28 -9.051 2.982 5.843 225 H LYS 29 H LYS 29 -6.982 -0.276 5.485 226 HA LYS 29 HA LYS 29 -5.617 0.545 7.868 227 HB2 LYS 29 HB2 LYS 29 -6.865 -1.614 7.670 228 HB3 LYS 29 HB3 LYS 29 -5.680 -2.188 6.506 229 HG2 LYS 29 HG2 LYS 29 -5.250 -3.172 8.700 230 HG3 LYS 29 HG3 LYS 29 -3.917 -2.108 8.245 231 HD2 LYS 29 HD2 LYS 29 -4.834 -0.331 9.718 232 HD3 LYS 29 HD3 LYS 29 -6.179 -1.388 10.160 233 HE2 LYS 29 HE2 LYS 29 -4.569 -2.985 11.174 234 HE3 LYS 29 HE3 LYS 29 -3.240 -1.912 10.737 235 HZ1 LYS 29 HZ1 LYS 29 -3.895 -1.646 13.037 236 HZ2 LYS 29 HZ2 LYS 29 -5.463 -1.235 12.574 237 HZ3 LYS 29 HZ3 LYS 29 -4.177 -0.222 12.176 238 H ILE 30 H ILE 30 -4.564 -0.602 4.676 239 HA ILE 30 HA ILE 30 -1.763 -0.587 5.095 240 HB ILE 30 HB ILE 30 -3.366 -0.217 2.518 241 HG12 ILE 30 HG12 ILE 30 -1.984 -2.700 3.641 242 HG13 ILE 30 HG13 ILE 30 -3.716 -2.402 3.684 243 HG21 ILE 30 HG21 ILE 30 -1.307 -0.819 1.271 244 HG22 ILE 30 HG22 ILE 30 -0.387 -0.795 2.775 245 HG23 ILE 30 HG23 ILE 30 -1.111 0.692 2.158 246 HD11 ILE 30 HD11 ILE 30 -2.041 -2.817 1.205 247 HD12 ILE 30 HD12 ILE 30 -3.778 -2.492 1.226 248 HD13 ILE 30 HD13 ILE 30 -3.147 -3.974 1.943 249 H TYR 31 H TYR 31 -4.044 1.887 3.893 250 HA TYR 31 HA TYR 31 -2.266 3.985 3.402 251 HB2 TYR 31 HB2 TYR 31 -4.705 3.958 2.767 252 HB3 TYR 31 HB3 TYR 31 -5.124 4.238 4.451 253 HD1 TYR 31 HD1 TYR 31 -4.730 6.487 5.485 254 HD2 TYR 31 HD2 TYR 31 -3.786 5.767 1.378 255 HE1 TYR 31 HE1 TYR 31 -4.537 8.906 5.107 256 HE2 TYR 31 HE2 TYR 31 -3.605 8.182 0.996 257 HH TYR 31 HH TYR 31 -3.338 10.430 3.450 258 H THR 32 H THR 32 -3.871 3.031 6.449 259 HA THR 32 HA THR 32 -3.267 5.168 8.113 260 HB THR 32 HB THR 32 -3.342 2.235 8.968 261 HG1 THR 32 HG1 THR 32 -5.310 2.542 8.178 262 HG21 THR 32 HG21 THR 32 -4.064 3.100 11.178 263 HG22 THR 32 HG22 THR 32 -3.846 4.754 10.605 264 HG23 THR 32 HG23 THR 32 -2.449 3.690 10.769 265 H GLU 33 H GLU 33 -1.187 2.328 7.465 266 HA GLU 33 HA GLU 33 0.971 3.333 9.148 267 HB2 GLU 33 HB2 GLU 33 0.826 0.927 7.299 268 HB3 GLU 33 HB3 GLU 33 2.193 1.294 8.346 269 HG2 GLU 33 HG2 GLU 33 -0.633 0.683 9.283 270 HG3 GLU 33 HG3 GLU 33 0.712 -0.458 9.269 271 H ALA 34 H ALA 34 0.241 3.139 5.696 272 HA ALA 34 HA ALA 34 2.874 3.873 4.773 273 HB1 ALA 34 HB1 ALA 34 1.437 2.399 3.453 274 HB2 ALA 34 HB2 ALA 34 1.835 3.852 2.533 275 HB3 ALA 34 HB3 ALA 34 0.243 3.685 3.278 276 H LYS 35 H LYS 35 0.250 5.735 5.960 277 HA LYS 35 HA LYS 35 0.855 8.139 4.429 278 HB2 LYS 35 HB2 LYS 35 -0.916 9.224 5.650 279 HB3 LYS 35 HB3 LYS 35 -1.475 7.627 5.169 280 HG2 LYS 35 HG2 LYS 35 -1.133 6.785 7.446 281 HG3 LYS 35 HG3 LYS 35 -0.467 8.343 7.945 282 HD2 LYS 35 HD2 LYS 35 -2.646 9.423 7.466 283 HD3 LYS 35 HD3 LYS 35 -3.315 7.866 6.972 284 HE2 LYS 35 HE2 LYS 35 -3.017 7.004 9.253 285 HE3 LYS 35 HE3 LYS 35 -2.279 8.526 9.754 286 HZ1 LYS 35 HZ1 LYS 35 -5.065 8.211 8.767 287 HZ2 LYS 35 HZ2 LYS 35 -4.359 9.648 9.309 288 HZ3 LYS 35 HZ3 LYS 35 -4.611 8.374 10.388 289 H LYS 36 H LYS 36 2.131 6.706 7.263 290 HA LYS 36 HA LYS 36 2.640 9.112 8.793 291 HB2 LYS 36 HB2 LYS 36 3.756 6.308 9.217 292 HB3 LYS 36 HB3 LYS 36 3.723 7.612 10.403 293 HG2 LYS 36 HG2 LYS 36 1.228 7.539 10.371 294 HG3 LYS 36 HG3 LYS 36 1.302 6.185 9.243 295 HD2 LYS 36 HD2 LYS 36 2.328 6.212 12.113 296 HD3 LYS 36 HD3 LYS 36 0.896 5.370 11.518 297 HE2 LYS 36 HE2 LYS 36 2.411 3.979 10.054 298 HE3 LYS 36 HE3 LYS 36 3.793 4.752 10.829 299 HZ1 LYS 36 HZ1 LYS 36 1.736 3.068 12.148 300 HZ2 LYS 36 HZ2 LYS 36 2.986 3.871 12.959 301 HZ3 LYS 36 HZ3 LYS 36 3.347 2.651 11.850 302 H VAL 37 H VAL 37 4.074 8.500 6.011 303 HA VAL 37 HA VAL 37 6.893 8.614 6.867 304 HB VAL 37 HB VAL 37 6.687 8.429 3.956 305 HG11 VAL 37 HG11 VAL 37 7.984 6.361 4.255 306 HG12 VAL 37 HG12 VAL 37 7.667 6.400 5.993 307 HG13 VAL 37 HG13 VAL 37 8.630 7.674 5.243 308 HG21 VAL 37 HG21 VAL 37 4.444 7.475 4.305 309 HG22 VAL 37 HG22 VAL 37 5.121 6.260 5.391 310 HG23 VAL 37 HG23 VAL 37 5.568 6.266 3.682 311 HA PRO 38 HA PRO 38 7.339 13.017 6.175 312 HB2 PRO 38 HB2 PRO 38 10.057 12.326 5.077 313 HB3 PRO 38 HB3 PRO 38 9.617 13.463 6.358 314 HG2 PRO 38 HG2 PRO 38 10.703 11.097 6.947 315 HG3 PRO 38 HG3 PRO 38 9.405 11.772 7.961 316 HD2 PRO 38 HD2 PRO 38 9.278 9.584 5.901 317 HD3 PRO 38 HD3 PRO 38 8.433 9.720 7.461 318 H TRP 39 H TRP 39 8.237 10.878 3.497 319 HA TRP 39 HA TRP 39 8.240 13.031 1.509 320 HB2 TRP 39 HB2 TRP 39 8.999 11.242 -0.070 321 HB3 TRP 39 HB3 TRP 39 10.034 11.395 1.342 322 HD1 TRP 39 HD1 TRP 39 10.098 9.319 3.069 323 HE1 TRP 39 HE1 TRP 39 9.365 6.863 2.832 324 HE3 TRP 39 HE3 TRP 39 7.189 9.687 -1.146 325 HZ2 TRP 39 HZ2 TRP 39 7.769 5.294 1.137 326 HZ3 TRP 39 HZ3 TRP 39 6.095 7.654 -2.000 327 HH2 TRP 39 HH2 TRP 39 6.380 5.502 -0.883 328 H PHE 40 H PHE 40 5.997 10.724 2.717 329 HA PHE 40 HA PHE 40 4.498 10.057 0.411 330 HB2 PHE 40 HB2 PHE 40 4.366 8.783 2.526 331 HB3 PHE 40 HB3 PHE 40 3.615 10.155 3.332 332 HD1 PHE 40 HD2 PHE 40 3.105 7.560 0.718 333 HD2 PHE 40 HD1 PHE 40 1.220 10.536 3.137 334 HE1 PHE 40 HE2 PHE 40 0.898 6.717 0.053 335 HE2 PHE 40 HE1 PHE 40 -0.986 9.677 2.462 336 HZ PHE 40 HZ PHE 40 -1.149 7.768 0.920 337 H ASP 41 H ASP 41 2.848 11.047 -0.655 338 HA ASP 41 HA ASP 41 2.040 13.770 0.134 339 HB2 ASP 41 HB2 ASP 41 2.753 13.259 -2.251 340 HB3 ASP 41 HB3 ASP 41 1.310 12.253 -2.419 341 H GLN 42 H GLN 42 0.223 14.030 1.335 342 HA GLN 42 HA GLN 42 -1.510 11.793 1.961 343 HB2 GLN 42 HB2 GLN 42 -1.438 14.679 2.925 344 HB3 GLN 42 HB3 GLN 42 -2.540 13.467 3.566 345 HG2 GLN 42 HG2 GLN 42 0.461 13.062 3.630 346 HG3 GLN 42 HG3 GLN 42 -0.382 13.966 4.887 347 HE21 GLN 42 HE21 GLN 42 0.347 12.385 6.391 348 HE22 GLN 42 HE22 GLN 42 -0.424 10.850 6.514 349 H GLN 43 H GLN 43 -1.686 13.386 -0.764 350 HA GLN 43 HA GLN 43 -4.634 13.778 -0.799 351 HB2 GLN 43 HB2 GLN 43 -2.692 15.260 -2.622 352 HB3 GLN 43 HB3 GLN 43 -4.368 15.666 -2.261 353 HG2 GLN 43 HG2 GLN 43 -3.801 16.560 -0.127 354 HG3 GLN 43 HG3 GLN 43 -2.214 15.791 -0.130 355 HE21 GLN 43 HE21 GLN 43 -0.602 16.626 -1.572 356 HE22 GLN 43 HE22 GLN 43 -0.651 18.279 -2.060 357 H ASN 44 H ASN 44 -2.110 13.714 -3.287 358 HA ASN 44 HA ASN 44 -3.541 11.979 -5.075 359 HB2 ASN 44 HB2 ASN 44 -0.671 13.016 -5.269 360 HB3 ASN 44 HB3 ASN 44 -1.634 12.345 -6.586 361 HD21 ASN 44 HD21 ASN 44 -1.123 15.114 -4.528 362 HD22 ASN 44 HD22 ASN 44 -2.091 16.221 -5.437 363 H GLY 45 H GLY 45 -1.098 11.567 -2.626 364 HA2 GLY 45 HA2 GLY 45 0.125 9.143 -3.439 365 HA3 GLY 45 HA3 GLY 45 0.047 9.768 -1.802 366 H ARG 46 H ARG 46 -2.976 9.746 -1.902 367 HA ARG 46 HA ARG 46 -3.626 7.150 -0.993 368 HB2 ARG 46 HB2 ARG 46 -4.905 9.355 -0.623 369 HB3 ARG 46 HB3 ARG 46 -5.582 9.147 -2.227 370 HG2 ARG 46 HG2 ARG 46 -5.975 7.163 0.054 371 HG3 ARG 46 HG3 ARG 46 -7.089 8.477 -0.312 372 HD2 ARG 46 HD2 ARG 46 -7.288 7.447 -2.651 373 HD3 ARG 46 HD3 ARG 46 -6.462 6.038 -1.995 374 HE ARG 46 HE ARG 46 -8.542 6.416 -0.279 375 HH11 ARG 46 HH11 ARG 46 -8.366 6.000 -3.714 376 HH12 ARG 46 HH12 ARG 46 -9.944 5.310 -3.807 377 HH21 ARG 46 HH21 ARG 46 -10.569 5.533 -0.455 378 HH22 ARG 46 HH22 ARG 46 -11.173 5.056 -2.000 379 H THR 47 H THR 47 -4.137 8.709 -4.179 380 HA THR 47 HA THR 47 -5.174 6.462 -5.569 381 HB THR 47 HB THR 47 -3.613 8.799 -6.782 382 HG1 THR 47 HG1 THR 47 -5.783 9.669 -7.092 383 HG21 THR 47 HG21 THR 47 -5.698 6.970 -8.056 384 HG22 THR 47 HG22 THR 47 -3.964 6.926 -8.386 385 HG23 THR 47 HG23 THR 47 -4.916 8.341 -8.840 386 H TYR 48 H TYR 48 -1.846 7.656 -5.080 387 HA TYR 48 HA TYR 48 -0.551 5.870 -6.868 388 HB2 TYR 48 HB2 TYR 48 0.598 7.297 -4.435 389 HB3 TYR 48 HB3 TYR 48 1.560 6.481 -5.664 390 HD1 TYR 48 HD1 TYR 48 -0.257 7.530 -8.040 391 HD2 TYR 48 HD2 TYR 48 1.708 9.460 -4.772 392 HE1 TYR 48 HE1 TYR 48 -0.139 9.610 -9.332 393 HE2 TYR 48 HE2 TYR 48 1.822 11.545 -6.067 394 HH TYR 48 HH TYR 48 0.072 11.992 -8.975 395 H LEU 49 H LEU 49 -1.329 5.546 -3.374 396 HA LEU 49 HA LEU 49 -0.098 2.998 -3.011 397 HB2 LEU 49 HB2 LEU 49 -2.467 4.244 -1.567 398 HB3 LEU 49 HB3 LEU 49 -1.745 2.710 -1.100 399 HG LEU 49 HG LEU 49 -0.414 5.445 -0.981 400 HD11 LEU 49 HD11 LEU 49 -2.051 5.061 0.802 401 HD12 LEU 49 HD12 LEU 49 -0.413 5.085 1.448 402 HD13 LEU 49 HD13 LEU 49 -1.253 3.546 1.237 403 HD21 LEU 49 HD21 LEU 49 0.779 2.730 -0.298 404 HD22 LEU 49 HD22 LEU 49 1.520 4.296 0.047 405 HD23 LEU 49 HD23 LEU 49 1.273 3.793 -1.622 406 H LYS 50 H LYS 50 -3.493 3.896 -3.684 407 HA LYS 50 HA LYS 50 -4.661 1.381 -3.869 408 HB2 LYS 50 HB2 LYS 50 -5.929 3.454 -3.667 409 HB3 LYS 50 HB3 LYS 50 -5.373 4.012 -5.232 410 HG2 LYS 50 HG2 LYS 50 -7.035 1.493 -5.066 411 HG3 LYS 50 HG3 LYS 50 -7.820 3.064 -4.907 412 HD2 LYS 50 HD2 LYS 50 -6.901 3.737 -7.125 413 HD3 LYS 50 HD3 LYS 50 -6.155 2.147 -7.291 414 HE2 LYS 50 HE2 LYS 50 -8.204 2.189 -8.574 415 HE3 LYS 50 HE3 LYS 50 -8.439 1.121 -7.190 416 HZ1 LYS 50 HZ1 LYS 50 -9.400 3.919 -7.446 417 HZ2 LYS 50 HZ2 LYS 50 -9.574 2.963 -6.065 418 HZ3 LYS 50 HZ3 LYS 50 -10.348 2.520 -7.499 419 H TYR 51 H TYR 51 -2.932 3.191 -6.343 420 HA TYR 51 HA TYR 51 -3.639 1.467 -8.554 421 HB2 TYR 51 HB2 TYR 51 -2.774 4.095 -8.360 422 HB3 TYR 51 HB3 TYR 51 -1.303 3.307 -8.890 423 HD1 TYR 51 HD1 TYR 51 -2.065 1.369 -10.889 424 HD2 TYR 51 HD2 TYR 51 -3.827 5.192 -10.129 425 HE1 TYR 51 HE1 TYR 51 -2.848 1.480 -13.219 426 HE2 TYR 51 HE2 TYR 51 -4.612 5.292 -12.450 427 HH TYR 51 HH TYR 51 -3.946 4.294 -14.662 428 H SER 52 H SER 52 -0.674 2.068 -6.618 429 HA SER 52 HA SER 52 1.013 0.175 -7.898 430 HB2 SER 52 HB2 SER 52 1.191 1.336 -5.094 431 HB3 SER 52 HB3 SER 52 2.452 0.341 -5.830 432 HG SER 52 HG SER 52 1.514 2.875 -6.686 433 H ILE 53 H ILE 53 -1.174 -0.132 -5.158 434 HA ILE 53 HA ILE 53 -0.539 -2.747 -4.314 435 HB ILE 53 HB ILE 53 -3.095 -1.103 -4.081 436 HG12 ILE 53 HG12 ILE 53 -1.023 -1.931 -1.998 437 HG13 ILE 53 HG13 ILE 53 -1.123 -0.347 -2.754 438 HG21 ILE 53 HG21 ILE 53 -3.960 -2.766 -2.460 439 HG22 ILE 53 HG22 ILE 53 -2.615 -3.838 -2.855 440 HG23 ILE 53 HG23 ILE 53 -3.815 -3.436 -4.084 441 HD11 ILE 53 HD11 ILE 53 -2.018 -0.303 -0.517 442 HD12 ILE 53 HD12 ILE 53 -3.173 -1.573 -0.913 443 HD13 ILE 53 HD13 ILE 53 -3.301 0.009 -1.685 444 H LYS 54 H LYS 54 -3.142 -1.599 -6.497 445 HA LYS 54 HA LYS 54 -4.164 -4.086 -7.303 446 HB2 LYS 54 HB2 LYS 54 -5.302 -1.923 -7.705 447 HB3 LYS 54 HB3 LYS 54 -4.048 -1.464 -8.852 448 HG2 LYS 54 HG2 LYS 54 -4.731 -3.349 -10.329 449 HG3 LYS 54 HG3 LYS 54 -6.013 -3.760 -9.188 450 HD2 LYS 54 HD2 LYS 54 -5.781 -1.110 -10.676 451 HD3 LYS 54 HD3 LYS 54 -6.830 -2.447 -11.149 452 HE2 LYS 54 HE2 LYS 54 -8.056 -2.224 -8.997 453 HE3 LYS 54 HE3 LYS 54 -7.021 -0.860 -8.562 454 HZ1 LYS 54 HZ1 LYS 54 -9.132 -0.138 -9.476 455 HZ2 LYS 54 HZ2 LYS 54 -8.833 -0.975 -10.912 456 HZ3 LYS 54 HZ3 LYS 54 -7.857 0.337 -10.481 457 H ALA 55 H ALA 55 -1.522 -2.154 -8.608 458 HA ALA 55 HA ALA 55 -0.842 -3.717 -10.862 459 HB1 ALA 55 HB1 ALA 55 0.919 -1.868 -9.222 460 HB2 ALA 55 HB2 ALA 55 -0.126 -1.376 -10.556 461 HB3 ALA 55 HB3 ALA 55 1.252 -2.436 -10.861 462 H LEU 56 H LEU 56 0.278 -3.851 -7.466 463 HA LEU 56 HA LEU 56 2.245 -5.902 -7.922 464 HB2 LEU 56 HB2 LEU 56 1.010 -4.820 -5.375 465 HB3 LEU 56 HB3 LEU 56 2.232 -6.084 -5.376 466 HG LEU 56 HG LEU 56 2.632 -3.253 -6.431 467 HD11 LEU 56 HD11 LEU 56 2.451 -3.265 -3.999 468 HD12 LEU 56 HD12 LEU 56 4.108 -2.927 -4.490 469 HD13 LEU 56 HD13 LEU 56 3.680 -4.530 -3.884 470 HD21 LEU 56 HD21 LEU 56 5.007 -3.849 -6.657 471 HD22 LEU 56 HD22 LEU 56 3.999 -4.867 -7.681 472 HD23 LEU 56 HD23 LEU 56 4.651 -5.510 -6.170 473 H VAL 57 H VAL 57 -1.189 -5.942 -7.026 474 HA VAL 57 HA VAL 57 -1.397 -8.746 -6.489 475 HB VAL 57 HB VAL 57 -3.510 -6.770 -7.489 476 HG11 VAL 57 HG11 VAL 57 -3.944 -9.607 -6.462 477 HG12 VAL 57 HG12 VAL 57 -4.202 -9.051 -8.117 478 HG13 VAL 57 HG13 VAL 57 -5.224 -8.440 -6.817 479 HG21 VAL 57 HG21 VAL 57 -3.024 -7.883 -4.693 480 HG22 VAL 57 HG22 VAL 57 -4.321 -6.774 -5.148 481 HG23 VAL 57 HG23 VAL 57 -2.640 -6.247 -5.233 482 H GLN 58 H GLN 58 -1.541 -6.783 -9.429 483 HA GLN 58 HA GLN 58 -2.205 -8.768 -11.324 484 HB2 GLN 58 HB2 GLN 58 -2.394 -6.312 -11.664 485 HB3 GLN 58 HB3 GLN 58 -0.647 -6.165 -11.656 486 HG2 GLN 58 HG2 GLN 58 -2.050 -7.870 -13.713 487 HG3 GLN 58 HG3 GLN 58 -1.927 -6.128 -13.918 488 HE21 GLN 58 HE21 GLN 58 -0.797 -8.256 -15.583 489 HE22 GLN 58 HE22 GLN 58 0.906 -7.975 -15.618 490 H ASN 59 H ASN 59 0.977 -7.649 -10.077 491 HA ASN 59 HA ASN 59 2.459 -9.673 -11.603 492 HB2 ASN 59 HB2 ASN 59 3.380 -7.628 -9.539 493 HB3 ASN 59 HB3 ASN 59 4.466 -8.770 -10.327 494 HD21 ASN 59 HD21 ASN 59 2.699 -5.844 -10.688 495 HD22 ASN 59 HD22 ASN 59 3.286 -5.425 -12.248 496 H ASP 60 H ASP 60 0.561 -9.914 -8.973 497 HA ASP 60 HA ASP 60 0.179 -11.423 -7.366 498 HB2 ASP 60 HB2 ASP 60 2.346 -13.060 -8.737 499 HB3 ASP 60 HB3 ASP 60 1.252 -13.678 -7.501 500 H THR 61 H THR 61 2.654 -9.446 -7.156 501 HA THR 61 HA THR 61 4.299 -10.459 -5.061 502 HB THR 61 HB THR 61 3.596 -7.559 -5.746 503 HG1 THR 61 HG1 THR 61 5.849 -9.144 -6.509 504 HG21 THR 61 HG21 THR 61 4.555 -7.710 -3.464 505 HG22 THR 61 HG22 THR 61 5.685 -6.937 -4.578 506 HG23 THR 61 HG23 THR 61 5.932 -8.618 -4.099 507 H LEU 62 H LEU 62 1.211 -8.744 -5.154 508 HA LEU 62 HA LEU 62 0.759 -9.309 -2.279 509 HB2 LEU 62 HB2 LEU 62 -0.736 -7.349 -4.070 510 HB3 LEU 62 HB3 LEU 62 -1.046 -7.630 -2.362 511 HG LEU 62 HG LEU 62 1.420 -6.316 -3.563 512 HD11 LEU 62 HD11 LEU 62 0.646 -4.304 -2.418 513 HD12 LEU 62 HD12 LEU 62 -0.762 -5.168 -1.793 514 HD13 LEU 62 HD13 LEU 62 -0.588 -4.896 -3.529 515 HD21 LEU 62 HD21 LEU 62 2.191 -5.922 -1.256 516 HD22 LEU 62 HD22 LEU 62 2.119 -7.641 -1.629 517 HD23 LEU 62 HD23 LEU 62 0.858 -6.904 -0.636 518 H LEU 63 H LEU 63 -1.332 -10.093 -1.688 519 HA LEU 63 HA LEU 63 -2.861 -11.564 -3.758 520 HB2 LEU 63 HB2 LEU 63 -2.514 -12.137 -0.782 521 HB3 LEU 63 HB3 LEU 63 -3.570 -13.048 -1.853 522 HG LEU 63 HG LEU 63 -0.543 -12.875 -2.188 523 HD11 LEU 63 HD11 LEU 63 -2.164 -15.135 -0.968 524 HD12 LEU 63 HD12 LEU 63 -1.063 -14.053 -0.109 525 HD13 LEU 63 HD13 LEU 63 -0.430 -15.168 -1.318 526 HD21 LEU 63 HD21 LEU 63 -2.569 -14.683 -3.563 527 HD22 LEU 63 HD22 LEU 63 -0.816 -14.739 -3.775 528 HD23 LEU 63 HD23 LEU 63 -1.718 -13.322 -4.301 529 H GLN 64 H GLN 64 -4.841 -10.768 -4.153 530 HA GLN 64 HA GLN 64 -6.055 -8.698 -2.512 531 HB2 GLN 64 HB2 GLN 64 -6.173 -8.496 -4.940 532 HB3 GLN 64 HB3 GLN 64 -6.994 -10.047 -5.077 533 HG2 GLN 64 HG2 GLN 64 -8.963 -9.127 -3.927 534 HG3 GLN 64 HG3 GLN 64 -8.140 -7.579 -3.718 535 HE21 GLN 64 HE21 GLN 64 -7.789 -6.278 -5.577 536 HE22 GLN 64 HE22 GLN 64 -8.713 -6.494 -7.016 537 H VAL 65 H VAL 65 -6.992 -9.354 -0.686 538 HA VAL 65 HA VAL 65 -8.603 -11.825 -0.553 539 HB VAL 65 HB VAL 65 -7.746 -10.097 1.811 540 HG11 VAL 65 HG11 VAL 65 -8.130 -12.144 3.137 541 HG12 VAL 65 HG12 VAL 65 -8.583 -13.023 1.671 542 HG13 VAL 65 HG13 VAL 65 -9.588 -11.690 2.244 543 HG21 VAL 65 HG21 VAL 65 -5.827 -11.619 2.139 544 HG22 VAL 65 HG22 VAL 65 -5.708 -10.765 0.600 545 HG23 VAL 65 HG23 VAL 65 -6.219 -12.456 0.633 546 H LYS 66 H LYS 66 -10.356 -10.817 -1.751 547 HA LYS 66 HA LYS 66 -11.725 -8.476 -0.624 548 HB2 LYS 66 HB2 LYS 66 -12.999 -8.475 -2.734 549 HB3 LYS 66 HB3 LYS 66 -11.268 -8.550 -3.041 550 HG2 LYS 66 HG2 LYS 66 -11.511 -11.041 -3.363 551 HG3 LYS 66 HG3 LYS 66 -13.260 -10.829 -3.261 552 HD2 LYS 66 HD2 LYS 66 -11.421 -9.587 -5.357 553 HD3 LYS 66 HD3 LYS 66 -12.515 -10.946 -5.615 554 HE2 LYS 66 HE2 LYS 66 -13.406 -8.137 -4.863 555 HE3 LYS 66 HE3 LYS 66 -13.386 -8.776 -6.505 556 HZ1 LYS 66 HZ1 LYS 66 -15.578 -8.936 -5.593 557 HZ2 LYS 66 HZ2 LYS 66 -15.025 -9.787 -4.244 558 HZ3 LYS 66 HZ3 LYS 66 -14.957 -10.497 -5.779 559 H GLY 67 H GLY 67 -11.888 -10.903 0.950 560 HA2 GLY 67 HA2 GLY 67 -14.812 -11.159 1.168 561 HA3 GLY 67 HA3 GLY 67 -13.899 -12.633 0.885 562 H THR 68 H THR 68 -12.696 -9.985 2.906 563 HA THR 68 HA THR 68 -13.061 -11.679 5.334 564 HB THR 68 HB THR 68 -10.715 -11.746 4.872 565 HG1 THR 68 HG1 THR 68 -9.885 -10.561 6.730 566 HG21 THR 68 HG21 THR 68 -10.507 -9.858 3.312 567 HG22 THR 68 HG22 THR 68 -9.295 -9.746 4.590 568 HG23 THR 68 HG23 THR 68 -10.727 -8.716 4.642 569 H GLY 69 H GLY 69 -13.974 -10.762 7.092 570 HA2 GLY 69 HA2 GLY 69 -15.080 -9.260 8.438 571 HA3 GLY 69 HA3 GLY 69 -14.046 -8.002 7.774 572 H ALA 70 H ALA 70 -14.709 -6.911 5.888 573 HA ALA 70 HA ALA 70 -17.113 -7.443 4.413 574 HB1 ALA 70 HB1 ALA 70 -18.327 -5.362 4.986 575 HB2 ALA 70 HB2 ALA 70 -17.103 -4.965 6.196 576 HB3 ALA 70 HB3 ALA 70 -18.134 -6.380 6.414 577 H ASN 71 H ASN 71 -14.253 -7.082 3.933 578 HA ASN 71 HA ASN 71 -14.044 -4.479 2.526 579 HB2 ASN 71 HB2 ASN 71 -11.928 -5.710 4.346 580 HB3 ASN 71 HB3 ASN 71 -11.757 -4.209 3.443 581 HD21 ASN 71 HD21 ASN 71 -11.660 -4.791 6.346 582 HD22 ASN 71 HD22 ASN 71 -12.793 -3.708 7.066 583 H GLY 72 H GLY 72 -12.697 -4.380 0.737 584 HA2 GLY 72 HA2 GLY 72 -11.681 -6.820 -0.521 585 HA3 GLY 72 HA3 GLY 72 -11.665 -5.197 -1.185 586 H SER 73 H SER 73 -10.128 -7.273 1.237 587 HA SER 73 HA SER 73 -8.062 -5.345 1.879 588 HB2 SER 73 HB2 SER 73 -8.477 -8.214 2.791 589 HB3 SER 73 HB3 SER 73 -7.228 -7.136 3.423 590 HG SER 73 HG SER 73 -8.853 -6.814 4.800 591 H PHE 74 H PHE 74 -5.739 -6.222 2.035 592 HA PHE 74 HA PHE 74 -4.785 -7.760 -0.257 593 HB2 PHE 74 HB2 PHE 74 -3.897 -4.865 0.187 594 HB3 PHE 74 HB3 PHE 74 -3.331 -5.943 -1.079 595 HD1 PHE 74 HD1 PHE 74 -5.000 -6.673 -2.893 596 HD2 PHE 74 HD2 PHE 74 -5.805 -3.469 -0.166 597 HE1 PHE 74 HE1 PHE 74 -6.727 -5.800 -4.411 598 HE2 PHE 74 HE2 PHE 74 -7.537 -2.614 -1.698 599 HZ PHE 74 HZ PHE 74 -7.985 -3.773 -3.823 600 H LYS 75 H LYS 75 -2.723 -8.612 0.127 601 HA LYS 75 HA LYS 75 -1.187 -7.825 2.514 602 HB2 LYS 75 HB2 LYS 75 -1.116 -10.135 3.412 603 HB3 LYS 75 HB3 LYS 75 -2.759 -9.508 3.393 604 HG2 LYS 75 HG2 LYS 75 -3.248 -10.787 1.342 605 HG3 LYS 75 HG3 LYS 75 -1.601 -11.409 1.337 606 HD2 LYS 75 HD2 LYS 75 -2.036 -12.516 3.527 607 HD3 LYS 75 HD3 LYS 75 -3.698 -11.922 3.468 608 HE2 LYS 75 HE2 LYS 75 -3.972 -13.201 1.293 609 HE3 LYS 75 HE3 LYS 75 -2.390 -13.922 1.600 610 HZ1 LYS 75 HZ1 LYS 75 -4.204 -15.339 2.338 611 HZ2 LYS 75 HZ2 LYS 75 -4.759 -14.126 3.376 612 HZ3 LYS 75 HZ3 LYS 75 -3.256 -14.847 3.652 613 H LEU 76 H LEU 76 0.907 -9.164 2.652 614 HA LEU 76 HA LEU 76 2.272 -9.232 0.133 615 HB2 LEU 76 HB2 LEU 76 3.066 -10.288 2.879 616 HB3 LEU 76 HB3 LEU 76 4.137 -10.332 1.486 617 HG LEU 76 HG LEU 76 3.040 -7.789 2.762 618 HD11 LEU 76 HD11 LEU 76 5.829 -8.974 2.929 619 HD12 LEU 76 HD12 LEU 76 4.647 -8.899 4.238 620 HD13 LEU 76 HD13 LEU 76 5.323 -7.411 3.581 621 HD21 LEU 76 HD21 LEU 76 4.669 -6.610 1.312 622 HD22 LEU 76 HD22 LEU 76 3.432 -7.444 0.379 623 HD23 LEU 76 HD23 LEU 76 5.053 -8.136 0.508 624 H ASN 77 H ASN 77 2.682 -10.970 -1.229 625 HA ASN 77 HA ASN 77 1.515 -13.573 -0.727 626 HB2 ASN 77 HB2 ASN 77 1.743 -12.495 -3.026 627 HB3 ASN 77 HB3 ASN 77 3.471 -12.795 -2.935 628 HD21 ASN 77 HD21 ASN 77 1.401 -13.790 -4.793 629 HD22 ASN 77 HD22 ASN 77 1.540 -15.507 -4.772 630 H ARG 78 H ARG 78 2.677 -15.492 -0.385 631 HA ARG 78 HA ARG 78 4.337 -15.524 1.768 632 HB2 ARG 78 HB2 ARG 78 4.004 -17.610 -0.404 633 HB3 ARG 78 HB3 ARG 78 4.805 -17.940 1.129 634 HG2 ARG 78 HG2 ARG 78 2.751 -17.568 2.365 635 HG3 ARG 78 HG3 ARG 78 1.925 -16.988 0.916 636 HD2 ARG 78 HD2 ARG 78 3.010 -19.814 1.230 637 HD3 ARG 78 HD3 ARG 78 1.342 -19.347 1.579 638 HE ARG 78 HE ARG 78 1.489 -18.507 -0.909 639 HH11 ARG 78 HH11 ARG 78 2.768 -21.489 0.293 640 HH12 ARG 78 HH12 ARG 78 2.443 -22.328 -1.181 641 HH21 ARG 78 HH21 ARG 78 1.086 -19.615 -2.773 642 HH22 ARG 78 HH22 ARG 78 1.526 -21.284 -2.883 643 H LYS 79 H LYS 79 5.491 -15.772 -1.634 644 HA LYS 79 HA LYS 79 8.072 -14.679 -0.874 645 HB2 LYS 79 HB2 LYS 79 8.146 -17.244 -0.438 646 HB3 LYS 79 HB3 LYS 79 8.119 -17.425 -2.185 647 HG2 LYS 79 HG2 LYS 79 10.397 -17.577 -1.407 648 HG3 LYS 79 HG3 LYS 79 10.219 -16.096 -2.336 649 HD2 LYS 79 HD2 LYS 79 10.158 -14.756 -0.300 650 HD3 LYS 79 HD3 LYS 79 10.125 -16.207 0.709 651 HE2 LYS 79 HE2 LYS 79 12.366 -15.210 0.695 652 HE3 LYS 79 HE3 LYS 79 12.394 -16.797 -0.065 653 HZ1 LYS 79 HZ1 LYS 79 13.698 -15.241 -1.323 654 HZ2 LYS 79 HZ2 LYS 79 12.391 -14.179 -1.463 655 HZ3 LYS 79 HZ3 LYS 79 12.346 -15.680 -2.235 656 H LYS 80 H LYS 80 6.027 -13.708 -2.535 657 HA LYS 80 HA LYS 80 7.449 -13.528 -5.158 658 HB2 LYS 80 HB2 LYS 80 4.568 -12.885 -4.416 659 HB3 LYS 80 HB3 LYS 80 5.285 -12.402 -5.949 660 HG2 LYS 80 HG2 LYS 80 5.110 -15.284 -5.014 661 HG3 LYS 80 HG3 LYS 80 3.885 -14.503 -6.019 662 HD2 LYS 80 HD2 LYS 80 5.532 -14.141 -7.806 663 HD3 LYS 80 HD3 LYS 80 6.819 -14.802 -6.791 664 HE2 LYS 80 HE2 LYS 80 5.977 -16.421 -8.497 665 HE3 LYS 80 HE3 LYS 80 5.805 -17.006 -6.843 666 HZ1 LYS 80 HZ1 LYS 80 3.849 -17.436 -8.217 667 HZ2 LYS 80 HZ2 LYS 80 3.621 -15.778 -8.434 668 HZ3 LYS 80 HZ3 LYS 80 3.481 -16.454 -6.892 669 H LEU 81 H LEU 81 8.022 -12.240 -2.492 670 HA LEU 81 HA LEU 81 7.352 -9.450 -2.608 671 HB2 LEU 81 HB2 LEU 81 7.803 -10.895 -0.556 672 HB3 LEU 81 HB3 LEU 81 9.509 -10.821 -0.943 673 HG LEU 81 HG LEU 81 7.942 -8.260 -0.464 674 HD11 LEU 81 HD11 LEU 81 8.486 -8.345 1.930 675 HD12 LEU 81 HD12 LEU 81 9.168 -9.963 1.738 676 HD13 LEU 81 HD13 LEU 81 7.443 -9.692 1.474 677 HD21 LEU 81 HD21 LEU 81 10.869 -8.958 -0.008 678 HD22 LEU 81 HD22 LEU 81 10.122 -7.385 0.294 679 HD23 LEU 81 HD23 LEU 81 10.223 -8.010 -1.350 680 H GLU 82 H GLU 82 10.057 -11.407 -3.647 681 HA GLU 82 HA GLU 82 11.767 -9.188 -4.471 682 HB2 GLU 82 HB2 GLU 82 12.058 -12.204 -4.808 683 HB3 GLU 82 HB3 GLU 82 13.287 -11.031 -5.248 684 HG2 GLU 82 HG2 GLU 82 13.897 -12.065 -3.163 685 HG3 GLU 82 HG3 GLU 82 13.500 -10.376 -2.863 686 H GLY 83 H GLY 83 9.068 -10.577 -5.811 687 HA2 GLY 83 HA2 GLY 83 8.100 -10.186 -7.898 688 HA3 GLY 83 HA3 GLY 83 9.657 -9.680 -8.527 Start of MODEL 13 1 H1 SER 1 H1 SER 1 19.326 -9.039 -2.697 2 H2 SER 1 H2 SER 1 19.571 -9.044 -4.371 3 H3 SER 1 H3 SER 1 18.250 -9.866 -3.707 4 HA SER 1 HA SER 1 17.242 -7.853 -2.989 5 HB2 SER 1 HB2 SER 1 19.635 -6.427 -4.230 6 HB3 SER 1 HB3 SER 1 18.258 -5.655 -3.438 7 HG SER 1 HG SER 1 20.412 -6.203 -2.261 8 H HIS 2 H HIS 2 16.098 -9.211 -4.675 9 HA HIS 2 HA HIS 2 16.153 -8.093 -7.407 10 HB2 HIS 2 HB2 HIS 2 16.069 -10.599 -7.030 11 HB3 HIS 2 HB3 HIS 2 14.464 -10.400 -6.341 12 HD1 HIS 2 HD1 HIS 2 16.325 -10.143 -9.610 13 HD2 HIS 2 HD2 HIS 2 12.402 -10.184 -8.236 14 HE1 HIS 2 HE1 HIS 2 14.898 -10.357 -11.664 15 HE2 HIS 2 HE2 HIS 2 12.535 -10.212 -10.826 16 H MET 3 H MET 3 15.406 -6.004 -6.657 17 HA MET 3 HA MET 3 12.495 -5.840 -6.075 18 HB2 MET 3 HB2 MET 3 12.956 -3.778 -4.776 19 HB3 MET 3 HB3 MET 3 13.790 -5.168 -4.099 20 HG2 MET 3 HG2 MET 3 15.894 -4.412 -5.139 21 HG3 MET 3 HG3 MET 3 15.051 -3.019 -5.816 22 HE1 MET 3 HE1 MET 3 16.385 -4.739 -2.533 23 HE2 MET 3 HE2 MET 3 14.657 -4.646 -2.186 24 HE3 MET 3 HE3 MET 3 15.790 -3.643 -1.284 25 H GLN 4 H GLN 4 11.341 -4.085 -6.999 26 HA GLN 4 HA GLN 4 12.436 -3.124 -9.568 27 HB2 GLN 4 HB2 GLN 4 9.567 -3.319 -8.557 28 HB3 GLN 4 HB3 GLN 4 10.022 -2.683 -10.138 29 HG2 GLN 4 HG2 GLN 4 10.952 -4.888 -10.755 30 HG3 GLN 4 HG3 GLN 4 10.508 -5.521 -9.170 31 HE21 GLN 4 HE21 GLN 4 9.185 -7.103 -10.084 32 HE22 GLN 4 HE22 GLN 4 7.658 -6.740 -10.796 33 HA PRO 5 HA PRO 5 12.572 1.188 -8.104 34 HB2 PRO 5 HB2 PRO 5 12.208 2.485 -10.538 35 HB3 PRO 5 HB3 PRO 5 13.752 1.820 -9.987 36 HG2 PRO 5 HG2 PRO 5 11.715 0.596 -11.847 37 HG3 PRO 5 HG3 PRO 5 13.484 0.646 -12.006 38 HD2 PRO 5 HD2 PRO 5 12.237 -1.576 -11.136 39 HD3 PRO 5 HD3 PRO 5 13.804 -1.086 -10.453 40 H GLY 6 H GLY 6 10.891 1.870 -6.945 41 HA2 GLY 6 HA2 GLY 6 8.635 3.219 -7.741 42 HA3 GLY 6 HA3 GLY 6 8.125 1.534 -7.669 43 H LYS 7 H LYS 7 9.007 4.336 -5.811 44 HA LYS 7 HA LYS 7 9.542 3.015 -3.330 45 HB2 LYS 7 HB2 LYS 7 9.715 5.233 -2.372 46 HB3 LYS 7 HB3 LYS 7 10.504 5.203 -3.945 47 HG2 LYS 7 HG2 LYS 7 8.353 6.227 -4.890 48 HG3 LYS 7 HG3 LYS 7 7.854 6.493 -3.216 49 HD2 LYS 7 HD2 LYS 7 10.295 7.653 -4.622 50 HD3 LYS 7 HD3 LYS 7 8.858 8.533 -4.100 51 HE2 LYS 7 HE2 LYS 7 9.443 8.103 -1.740 52 HE3 LYS 7 HE3 LYS 7 10.852 7.171 -2.246 53 HZ1 LYS 7 HZ1 LYS 7 11.402 9.434 -1.600 54 HZ2 LYS 7 HZ2 LYS 7 10.415 10.041 -2.829 55 HZ3 LYS 7 HZ3 LYS 7 11.790 9.140 -3.220 56 H TYR 8 H TYR 8 6.555 4.209 -4.777 57 HA TYR 8 HA TYR 8 4.987 4.080 -2.351 58 HB2 TYR 8 HB2 TYR 8 4.290 4.431 -5.275 59 HB3 TYR 8 HB3 TYR 8 3.022 4.113 -4.099 60 HD1 TYR 8 HD1 TYR 8 2.588 5.754 -2.238 61 HD2 TYR 8 HD2 TYR 8 5.311 6.654 -5.420 62 HE1 TYR 8 HE1 TYR 8 2.444 8.140 -1.682 63 HE2 TYR 8 HE2 TYR 8 5.163 9.049 -4.853 64 HH TYR 8 HH TYR 8 3.571 10.592 -3.721 65 H SER 9 H SER 9 5.462 1.898 -5.171 66 HA SER 9 HA SER 9 3.680 -0.140 -4.329 67 HB2 SER 9 HB2 SER 9 4.892 -1.622 -5.925 68 HB3 SER 9 HB3 SER 9 4.513 -0.056 -6.641 69 HG SER 9 HG SER 9 6.871 -1.204 -6.453 70 H GLN 10 H GLN 10 7.196 0.214 -3.845 71 HA GLN 10 HA GLN 10 7.593 -2.073 -2.220 72 HB2 GLN 10 HB2 GLN 10 9.437 -0.875 -3.344 73 HB3 GLN 10 HB3 GLN 10 9.175 0.526 -2.311 74 HG2 GLN 10 HG2 GLN 10 9.837 -0.784 -0.338 75 HG3 GLN 10 HG3 GLN 10 10.038 -2.219 -1.341 76 HE21 GLN 10 HE21 GLN 10 11.952 -0.734 0.369 77 HE22 GLN 10 HE22 GLN 10 13.283 -0.356 -0.665 78 H LEU 11 H LEU 11 6.648 1.278 -1.409 79 HA LEU 11 HA LEU 11 6.730 1.175 1.390 80 HB2 LEU 11 HB2 LEU 11 6.298 3.248 0.115 81 HB3 LEU 11 HB3 LEU 11 4.729 2.636 -0.371 82 HG LEU 11 HG LEU 11 4.001 2.685 2.043 83 HD11 LEU 11 HD11 LEU 11 6.649 4.087 2.539 84 HD12 LEU 11 HD12 LEU 11 6.178 2.493 3.141 85 HD13 LEU 11 HD13 LEU 11 5.322 3.928 3.694 86 HD21 LEU 11 HD21 LEU 11 4.937 5.352 0.930 87 HD22 LEU 11 HD22 LEU 11 3.710 5.122 2.179 88 HD23 LEU 11 HD23 LEU 11 3.421 4.533 0.545 89 H VAL 12 H VAL 12 4.048 0.217 -0.799 90 HA VAL 12 HA VAL 12 2.186 -0.588 1.180 91 HB VAL 12 HB VAL 12 2.474 -1.639 -1.673 92 HG11 VAL 12 HG11 VAL 12 0.085 -2.296 -1.479 93 HG12 VAL 12 HG12 VAL 12 0.089 -1.821 0.220 94 HG13 VAL 12 HG13 VAL 12 1.092 -3.171 -0.321 95 HG21 VAL 12 HG21 VAL 12 2.148 0.805 -1.616 96 HG22 VAL 12 HG22 VAL 12 0.722 0.607 -0.594 97 HG23 VAL 12 HG23 VAL 12 0.710 -0.000 -2.251 98 H VAL 13 H VAL 13 4.675 -2.472 -0.561 99 HA VAL 13 HA VAL 13 4.196 -5.037 0.486 100 HB VAL 13 HB VAL 13 6.862 -3.819 -0.383 101 HG11 VAL 13 HG11 VAL 13 7.632 -6.162 -0.757 102 HG12 VAL 13 HG12 VAL 13 6.134 -6.762 -0.043 103 HG13 VAL 13 HG13 VAL 13 7.279 -5.855 0.947 104 HG21 VAL 13 HG21 VAL 13 5.158 -3.752 -2.168 105 HG22 VAL 13 HG22 VAL 13 4.858 -5.480 -1.965 106 HG23 VAL 13 HG23 VAL 13 6.422 -4.920 -2.561 107 H GLU 14 H GLU 14 6.383 -2.491 1.680 108 HA GLU 14 HA GLU 14 7.292 -3.947 3.985 109 HB2 GLU 14 HB2 GLU 14 7.586 -0.993 3.283 110 HB3 GLU 14 HB3 GLU 14 8.407 -1.801 4.618 111 HG2 GLU 14 HG2 GLU 14 9.484 -3.326 2.912 112 HG3 GLU 14 HG3 GLU 14 8.799 -2.299 1.651 113 H THR 15 H THR 15 4.578 -1.822 3.395 114 HA THR 15 HA THR 15 3.958 -1.148 6.124 115 HB THR 15 HB THR 15 2.295 -1.102 3.572 116 HG1 THR 15 HG1 THR 15 3.222 0.783 3.441 117 HG21 THR 15 HG21 THR 15 1.414 -0.197 6.335 118 HG22 THR 15 HG22 THR 15 0.693 -1.494 5.378 119 HG23 THR 15 HG23 THR 15 0.576 0.178 4.829 120 H ILE 16 H ILE 16 2.646 -3.568 3.852 121 HA ILE 16 HA ILE 16 0.875 -4.848 5.669 122 HB ILE 16 HB ILE 16 2.151 -5.949 3.121 123 HG12 ILE 16 HG12 ILE 16 -0.584 -4.637 3.512 124 HG13 ILE 16 HG13 ILE 16 0.814 -3.837 2.802 125 HG21 ILE 16 HG21 ILE 16 -0.299 -6.960 4.623 126 HG22 ILE 16 HG22 ILE 16 1.259 -7.784 4.506 127 HG23 ILE 16 HG23 ILE 16 0.271 -7.561 3.063 128 HD11 ILE 16 HD11 ILE 16 -0.757 -4.567 1.109 129 HD12 ILE 16 HD12 ILE 16 -0.620 -6.236 1.660 130 HD13 ILE 16 HD13 ILE 16 0.775 -5.424 0.941 131 H ARG 17 H ARG 17 4.276 -5.381 4.849 132 HA ARG 17 HA ARG 17 4.722 -7.729 6.409 133 HB2 ARG 17 HB2 ARG 17 6.238 -6.935 4.583 134 HB3 ARG 17 HB3 ARG 17 6.722 -5.575 5.593 135 HG2 ARG 17 HG2 ARG 17 7.718 -7.117 7.234 136 HG3 ARG 17 HG3 ARG 17 7.166 -8.504 6.290 137 HD2 ARG 17 HD2 ARG 17 8.627 -7.792 4.416 138 HD3 ARG 17 HD3 ARG 17 9.183 -6.417 5.383 139 HE ARG 17 HE ARG 17 9.607 -8.800 6.830 140 HH11 ARG 17 HH11 ARG 17 10.931 -7.166 4.080 141 HH12 ARG 17 HH12 ARG 17 12.483 -7.898 4.285 142 HH21 ARG 17 HH21 ARG 17 11.566 -9.694 7.067 143 HH22 ARG 17 HH22 ARG 17 12.840 -9.315 5.963 144 H ARG 18 H ARG 18 5.036 -4.241 7.143 145 HA ARG 18 HA ARG 18 6.176 -4.400 9.725 146 HB2 ARG 18 HB2 ARG 18 5.483 -2.336 8.015 147 HB3 ARG 18 HB3 ARG 18 4.264 -2.132 9.256 148 HG2 ARG 18 HG2 ARG 18 7.269 -2.143 9.730 149 HG3 ARG 18 HG3 ARG 18 6.264 -0.703 9.572 150 HD2 ARG 18 HD2 ARG 18 5.943 -2.800 11.752 151 HD3 ARG 18 HD3 ARG 18 6.838 -1.285 11.931 152 HE ARG 18 HE ARG 18 4.018 -1.090 11.148 153 HH11 ARG 18 HH11 ARG 18 6.359 -0.738 13.680 154 HH12 ARG 18 HH12 ARG 18 5.255 0.100 14.711 155 HH21 ARG 18 HH21 ARG 18 2.643 0.007 12.498 156 HH22 ARG 18 HH22 ARG 18 3.197 0.523 14.053 157 H LEU 19 H LEU 19 2.818 -4.537 8.645 158 HA LEU 19 HA LEU 19 1.652 -4.783 11.287 159 HB2 LEU 19 HB2 LEU 19 0.484 -5.233 8.504 160 HB3 LEU 19 HB3 LEU 19 -0.450 -5.226 9.996 161 HG LEU 19 HG LEU 19 1.156 -2.808 9.050 162 HD11 LEU 19 HD11 LEU 19 -0.933 -1.805 8.281 163 HD12 LEU 19 HD12 LEU 19 -1.807 -3.296 8.641 164 HD13 LEU 19 HD13 LEU 19 -0.570 -3.277 7.382 165 HD21 LEU 19 HD21 LEU 19 -1.028 -3.059 11.155 166 HD22 LEU 19 HD22 LEU 19 -0.219 -1.564 10.676 167 HD23 LEU 19 HD23 LEU 19 0.698 -2.843 11.462 168 H GLY 20 H GLY 20 2.632 -6.972 8.672 169 HA2 GLY 20 HA2 GLY 20 2.768 -9.254 8.450 170 HA3 GLY 20 HA3 GLY 20 2.990 -9.292 10.190 171 H GLU 21 H GLU 21 0.121 -8.266 8.379 172 HA GLU 21 HA GLU 21 -1.615 -9.532 10.233 173 HB2 GLU 21 HB2 GLU 21 -2.067 -7.970 7.695 174 HB3 GLU 21 HB3 GLU 21 -3.422 -8.713 8.543 175 HG2 GLU 21 HG2 GLU 21 -1.512 -6.653 9.702 176 HG3 GLU 21 HG3 GLU 21 -3.138 -6.336 9.110 177 H ARG 22 H ARG 22 -2.402 -11.431 10.303 178 HA ARG 22 HA ARG 22 -2.153 -13.692 8.908 179 HB2 ARG 22 HB2 ARG 22 -4.423 -14.409 9.879 180 HB3 ARG 22 HB3 ARG 22 -3.229 -13.822 11.022 181 HG2 ARG 22 HG2 ARG 22 -5.298 -11.900 9.942 182 HG3 ARG 22 HG3 ARG 22 -5.768 -13.053 11.191 183 HD2 ARG 22 HD2 ARG 22 -4.353 -12.074 12.801 184 HD3 ARG 22 HD3 ARG 22 -3.337 -11.305 11.587 185 HE ARG 22 HE ARG 22 -4.963 -9.617 11.281 186 HH11 ARG 22 HH11 ARG 22 -5.895 -11.747 13.874 187 HH12 ARG 22 HH12 ARG 22 -6.896 -10.552 14.613 188 HH21 ARG 22 HH21 ARG 22 -6.190 -8.118 12.276 189 HH22 ARG 22 HH22 ARG 22 -7.054 -8.514 13.722 190 H ASN 23 H ASN 23 -4.902 -11.470 8.294 191 HA ASN 23 HA ASN 23 -5.636 -12.949 5.829 192 HB2 ASN 23 HB2 ASN 23 -7.870 -11.878 6.082 193 HB3 ASN 23 HB3 ASN 23 -7.430 -12.807 7.508 194 HD21 ASN 23 HD21 ASN 23 -9.337 -10.582 7.213 195 HD22 ASN 23 HD22 ASN 23 -8.844 -9.394 8.360 196 H GLY 24 H GLY 24 -3.777 -10.398 6.566 197 HA2 GLY 24 HA2 GLY 24 -2.920 -8.767 5.118 198 HA3 GLY 24 HA3 GLY 24 -4.352 -8.893 4.116 199 H SER 25 H SER 25 -3.716 -6.472 4.392 200 HA SER 25 HA SER 25 -5.529 -5.254 6.407 201 HB2 SER 25 HB2 SER 25 -2.841 -4.178 5.419 202 HB3 SER 25 HB3 SER 25 -3.970 -3.288 6.447 203 HG SER 25 HG SER 25 -3.448 -5.749 7.451 204 H SER 26 H SER 26 -7.056 -3.967 5.531 205 HA SER 26 HA SER 26 -7.480 -3.733 2.744 206 HB2 SER 26 HB2 SER 26 -8.780 -2.154 5.008 207 HB3 SER 26 HB3 SER 26 -9.414 -2.329 3.364 208 HG SER 26 HG SER 26 -10.343 -4.042 4.136 209 H LEU 27 H LEU 27 -7.782 -1.672 1.529 210 HA LEU 27 HA LEU 27 -5.442 -0.249 1.162 211 HB2 LEU 27 HB2 LEU 27 -7.234 -0.392 -0.523 212 HB3 LEU 27 HB3 LEU 27 -8.280 0.608 0.467 213 HG LEU 27 HG LEU 27 -6.746 2.558 0.108 214 HD11 LEU 27 HD11 LEU 27 -5.226 0.697 -1.755 215 HD12 LEU 27 HD12 LEU 27 -4.626 1.412 -0.252 216 HD13 LEU 27 HD13 LEU 27 -4.990 2.447 -1.630 217 HD21 LEU 27 HD21 LEU 27 -8.696 2.269 -1.346 218 HD22 LEU 27 HD22 LEU 27 -7.751 1.267 -2.452 219 HD23 LEU 27 HD23 LEU 27 -7.352 2.975 -2.245 220 H ALA 28 H ALA 28 -8.152 0.641 3.261 221 HA ALA 28 HA ALA 28 -7.284 3.264 3.986 222 HB1 ALA 28 HB1 ALA 28 -9.124 1.378 5.487 223 HB2 ALA 28 HB2 ALA 28 -9.614 2.521 4.236 224 HB3 ALA 28 HB3 ALA 28 -8.968 3.117 5.765 225 H LYS 29 H LYS 29 -6.784 0.057 5.505 226 HA LYS 29 HA LYS 29 -5.428 1.026 7.846 227 HB2 LYS 29 HB2 LYS 29 -6.688 -1.130 7.741 228 HB3 LYS 29 HB3 LYS 29 -5.436 -1.784 6.687 229 HG2 LYS 29 HG2 LYS 29 -3.776 -1.610 8.470 230 HG3 LYS 29 HG3 LYS 29 -4.943 -0.791 9.519 231 HD2 LYS 29 HD2 LYS 29 -6.338 -2.810 9.586 232 HD3 LYS 29 HD3 LYS 29 -5.247 -3.614 8.461 233 HE2 LYS 29 HE2 LYS 29 -3.452 -3.579 10.130 234 HE3 LYS 29 HE3 LYS 29 -4.481 -2.678 11.248 235 HZ1 LYS 29 HZ1 LYS 29 -4.410 -5.025 11.785 236 HZ2 LYS 29 HZ2 LYS 29 -5.005 -5.429 10.255 237 HZ3 LYS 29 HZ3 LYS 29 -5.977 -4.571 11.336 238 H ILE 30 H ILE 30 -4.359 -0.251 4.718 239 HA ILE 30 HA ILE 30 -1.557 -0.193 5.104 240 HB ILE 30 HB ILE 30 -3.219 0.152 2.565 241 HG12 ILE 30 HG12 ILE 30 -1.748 -2.288 3.670 242 HG13 ILE 30 HG13 ILE 30 -3.490 -2.038 3.740 243 HG21 ILE 30 HG21 ILE 30 -0.221 -0.355 2.754 244 HG22 ILE 30 HG22 ILE 30 -0.991 1.117 2.156 245 HG23 ILE 30 HG23 ILE 30 -1.175 -0.394 1.268 246 HD11 ILE 30 HD11 ILE 30 -3.573 -2.125 1.280 247 HD12 ILE 30 HD12 ILE 30 -2.912 -3.595 1.995 248 HD13 ILE 30 HD13 ILE 30 -1.831 -2.420 1.246 249 H TYR 31 H TYR 31 -3.849 2.266 3.905 250 HA TYR 31 HA TYR 31 -2.048 4.386 3.466 251 HB2 TYR 31 HB2 TYR 31 -4.421 4.323 2.648 252 HB3 TYR 31 HB3 TYR 31 -4.982 4.580 4.296 253 HD1 TYR 31 HD1 TYR 31 -4.666 6.816 5.390 254 HD2 TYR 31 HD2 TYR 31 -3.499 6.161 1.330 255 HE1 TYR 31 HE1 TYR 31 -4.498 9.241 5.050 256 HE2 TYR 31 HE2 TYR 31 -3.347 8.579 0.983 257 HH TYR 31 HH TYR 31 -3.246 10.804 3.473 258 H THR 32 H THR 32 -3.755 3.353 6.416 259 HA THR 32 HA THR 32 -3.279 5.535 8.098 260 HB THR 32 HB THR 32 -3.425 2.603 8.941 261 HG1 THR 32 HG1 THR 32 -5.364 2.885 8.131 262 HG21 THR 32 HG21 THR 32 -2.608 4.030 10.794 263 HG22 THR 32 HG22 THR 32 -4.248 3.466 11.115 264 HG23 THR 32 HG23 THR 32 -3.979 5.120 10.562 265 H GLU 33 H GLU 33 -1.189 2.732 7.461 266 HA GLU 33 HA GLU 33 0.933 3.614 9.230 267 HB2 GLU 33 HB2 GLU 33 0.984 1.453 7.098 268 HB3 GLU 33 HB3 GLU 33 2.154 1.662 8.400 269 HG2 GLU 33 HG2 GLU 33 -0.772 0.895 8.707 270 HG3 GLU 33 HG3 GLU 33 0.608 -0.190 8.853 271 H ALA 34 H ALA 34 0.224 3.787 5.783 272 HA ALA 34 HA ALA 34 2.863 4.524 4.901 273 HB1 ALA 34 HB1 ALA 34 1.305 3.304 3.457 274 HB2 ALA 34 HB2 ALA 34 1.792 4.828 2.709 275 HB3 ALA 34 HB3 ALA 34 0.200 4.681 3.463 276 H LYS 35 H LYS 35 0.093 6.359 6.028 277 HA LYS 35 HA LYS 35 0.804 8.861 4.778 278 HB2 LYS 35 HB2 LYS 35 -1.006 9.852 6.061 279 HB3 LYS 35 HB3 LYS 35 -1.542 8.321 5.375 280 HG2 LYS 35 HG2 LYS 35 -1.245 7.232 7.573 281 HG3 LYS 35 HG3 LYS 35 -0.700 8.770 8.261 282 HD2 LYS 35 HD2 LYS 35 -2.904 9.779 7.783 283 HD3 LYS 35 HD3 LYS 35 -3.455 8.272 7.046 284 HE2 LYS 35 HE2 LYS 35 -3.252 7.128 9.209 285 HE3 LYS 35 HE3 LYS 35 -2.635 8.605 9.954 286 HZ1 LYS 35 HZ1 LYS 35 -4.734 9.667 9.540 287 HZ2 LYS 35 HZ2 LYS 35 -4.992 8.231 10.389 288 HZ3 LYS 35 HZ3 LYS 35 -5.326 8.304 8.736 289 H LYS 36 H LYS 36 2.004 7.215 7.499 290 HA LYS 36 HA LYS 36 2.666 9.395 9.232 291 HB2 LYS 36 HB2 LYS 36 3.905 6.614 9.049 292 HB3 LYS 36 HB3 LYS 36 4.078 7.731 10.406 293 HG2 LYS 36 HG2 LYS 36 1.708 7.549 10.925 294 HG3 LYS 36 HG3 LYS 36 1.427 6.573 9.475 295 HD2 LYS 36 HD2 LYS 36 2.934 4.809 10.420 296 HD3 LYS 36 HD3 LYS 36 3.108 5.773 11.891 297 HE2 LYS 36 HE2 LYS 36 0.723 5.528 12.371 298 HE3 LYS 36 HE3 LYS 36 0.466 4.695 10.836 299 HZ1 LYS 36 HZ1 LYS 36 0.577 3.091 12.552 300 HZ2 LYS 36 HZ2 LYS 36 2.026 3.716 13.154 301 HZ3 LYS 36 HZ3 LYS 36 1.998 2.948 11.649 302 H VAL 37 H VAL 37 4.280 7.965 6.466 303 HA VAL 37 HA VAL 37 6.958 8.715 7.152 304 HB VAL 37 HB VAL 37 6.500 8.381 4.218 305 HG11 VAL 37 HG11 VAL 37 8.306 6.903 6.154 306 HG12 VAL 37 HG12 VAL 37 8.742 8.324 5.201 307 HG13 VAL 37 HG13 VAL 37 8.364 6.804 4.389 308 HG21 VAL 37 HG21 VAL 37 4.716 6.886 4.979 309 HG22 VAL 37 HG22 VAL 37 5.855 6.023 6.011 310 HG23 VAL 37 HG23 VAL 37 6.041 5.976 4.254 311 HA PRO 38 HA PRO 38 6.600 13.066 6.264 312 HB2 PRO 38 HB2 PRO 38 9.262 13.767 6.021 313 HB3 PRO 38 HB3 PRO 38 8.473 13.426 7.566 314 HG2 PRO 38 HG2 PRO 38 10.157 11.597 5.855 315 HG3 PRO 38 HG3 PRO 38 10.226 11.856 7.612 316 HD2 PRO 38 HD2 PRO 38 8.965 9.714 6.561 317 HD3 PRO 38 HD3 PRO 38 8.328 10.520 8.009 318 H TRP 39 H TRP 39 8.168 10.967 3.871 319 HA TRP 39 HA TRP 39 8.260 13.090 1.848 320 HB2 TRP 39 HB2 TRP 39 9.089 11.378 0.272 321 HB3 TRP 39 HB3 TRP 39 10.047 11.429 1.742 322 HD1 TRP 39 HD1 TRP 39 10.232 9.219 3.150 323 HE1 TRP 39 HE1 TRP 39 9.512 6.793 2.747 324 HE3 TRP 39 HE3 TRP 39 7.047 9.913 -0.820 325 HZ2 TRP 39 HZ2 TRP 39 7.845 5.350 1.030 326 HZ3 TRP 39 HZ3 TRP 39 5.928 7.937 -1.777 327 HH2 TRP 39 HH2 TRP 39 6.320 5.700 -0.868 328 H PHE 40 H PHE 40 6.025 10.651 2.904 329 HA PHE 40 HA PHE 40 4.592 10.098 0.558 330 HB2 PHE 40 HB2 PHE 40 4.407 8.810 2.680 331 HB3 PHE 40 HB3 PHE 40 3.548 10.153 3.428 332 HD1 PHE 40 HD2 PHE 40 3.337 7.517 0.816 333 HD2 PHE 40 HD1 PHE 40 1.167 10.466 3.029 334 HE1 PHE 40 HE2 PHE 40 1.212 6.580 0.005 335 HE2 PHE 40 HE1 PHE 40 -0.952 9.516 2.212 336 HZ PHE 40 HZ PHE 40 -0.929 7.575 0.701 337 H ASP 41 H ASP 41 3.168 11.190 -0.622 338 HA ASP 41 HA ASP 41 2.198 13.842 0.180 339 HB2 ASP 41 HB2 ASP 41 3.135 13.441 -2.130 340 HB3 ASP 41 HB3 ASP 41 1.799 12.340 -2.451 341 H GLN 42 H GLN 42 0.312 13.952 1.286 342 HA GLN 42 HA GLN 42 -1.375 11.732 1.783 343 HB2 GLN 42 HB2 GLN 42 -1.882 14.692 2.299 344 HB3 GLN 42 HB3 GLN 42 -2.823 13.374 2.989 345 HG2 GLN 42 HG2 GLN 42 0.155 13.682 3.475 346 HG3 GLN 42 HG3 GLN 42 -1.067 14.448 4.486 347 HE21 GLN 42 HE21 GLN 42 -0.344 13.278 6.298 348 HE22 GLN 42 HE22 GLN 42 -0.677 11.599 6.496 349 H GLN 43 H GLN 43 -1.738 14.481 -0.432 350 HA GLN 43 HA GLN 43 -4.524 14.216 -0.962 351 HB2 GLN 43 HB2 GLN 43 -2.346 15.572 -2.617 352 HB3 GLN 43 HB3 GLN 43 -4.079 15.797 -2.852 353 HG2 GLN 43 HG2 GLN 43 -4.265 16.811 -0.617 354 HG3 GLN 43 HG3 GLN 43 -2.550 16.531 -0.333 355 HE21 GLN 43 HE21 GLN 43 -3.901 17.689 -3.403 356 HE22 GLN 43 HE22 GLN 43 -3.189 19.257 -3.312 357 H ASN 44 H ASN 44 -1.807 13.558 -3.200 358 HA ASN 44 HA ASN 44 -3.475 12.006 -5.007 359 HB2 ASN 44 HB2 ASN 44 -0.487 12.630 -5.093 360 HB3 ASN 44 HB3 ASN 44 -1.415 11.895 -6.397 361 HD21 ASN 44 HD21 ASN 44 -0.763 14.845 -4.660 362 HD22 ASN 44 HD22 ASN 44 -1.532 15.906 -5.786 363 H GLY 45 H GLY 45 -1.410 11.317 -2.328 364 HA2 GLY 45 HA2 GLY 45 -0.241 8.856 -3.063 365 HA3 GLY 45 HA3 GLY 45 -0.508 9.420 -1.423 366 H ARG 46 H ARG 46 -3.523 9.477 -1.924 367 HA ARG 46 HA ARG 46 -4.180 6.822 -1.140 368 HB2 ARG 46 HB2 ARG 46 -5.559 9.312 -1.326 369 HB3 ARG 46 HB3 ARG 46 -6.491 8.211 -2.319 370 HG2 ARG 46 HG2 ARG 46 -5.808 7.863 0.616 371 HG3 ARG 46 HG3 ARG 46 -7.379 8.283 -0.061 372 HD2 ARG 46 HD2 ARG 46 -7.531 6.071 -1.111 373 HD3 ARG 46 HD3 ARG 46 -5.930 5.645 -0.519 374 HE ARG 46 HE ARG 46 -6.905 5.887 1.782 375 HH11 ARG 46 HH11 ARG 46 -9.047 5.087 -0.827 376 HH12 ARG 46 HH12 ARG 46 -10.146 4.251 0.211 377 HH21 ARG 46 HH21 ARG 46 -8.325 4.814 3.060 378 HH22 ARG 46 HH22 ARG 46 -9.735 4.090 2.376 379 H THR 47 H THR 47 -4.528 8.531 -4.255 380 HA THR 47 HA THR 47 -5.454 6.333 -5.814 381 HB THR 47 HB THR 47 -3.940 8.822 -6.741 382 HG1 THR 47 HG1 THR 47 -5.777 9.810 -6.492 383 HG21 THR 47 HG21 THR 47 -4.936 8.423 -8.967 384 HG22 THR 47 HG22 THR 47 -5.664 6.925 -8.383 385 HG23 THR 47 HG23 THR 47 -3.908 7.065 -8.496 386 H TYR 48 H TYR 48 -2.204 7.513 -5.015 387 HA TYR 48 HA TYR 48 -0.745 5.881 -6.829 388 HB2 TYR 48 HB2 TYR 48 0.132 7.258 -4.265 389 HB3 TYR 48 HB3 TYR 48 1.245 6.445 -5.361 390 HD1 TYR 48 HD1 TYR 48 -0.708 7.638 -7.796 391 HD2 TYR 48 HD2 TYR 48 1.676 9.251 -4.634 392 HE1 TYR 48 HE1 TYR 48 -0.417 9.714 -9.069 393 HE2 TYR 48 HE2 TYR 48 1.966 11.327 -5.911 394 HH TYR 48 HH TYR 48 0.112 12.078 -8.667 395 H LEU 49 H LEU 49 -1.501 5.399 -3.329 396 HA LEU 49 HA LEU 49 -0.234 2.874 -3.037 397 HB2 LEU 49 HB2 LEU 49 -2.608 4.037 -1.536 398 HB3 LEU 49 HB3 LEU 49 -1.787 2.559 -1.068 399 HG LEU 49 HG LEU 49 -0.607 5.365 -1.035 400 HD11 LEU 49 HD11 LEU 49 -2.189 4.923 0.787 401 HD12 LEU 49 HD12 LEU 49 -0.542 5.076 1.393 402 HD13 LEU 49 HD13 LEU 49 -1.281 3.478 1.247 403 HD21 LEU 49 HD21 LEU 49 0.741 2.743 -0.301 404 HD22 LEU 49 HD22 LEU 49 1.414 4.355 -0.041 405 HD23 LEU 49 HD23 LEU 49 1.136 3.772 -1.680 406 H LYS 50 H LYS 50 -3.529 3.784 -3.957 407 HA LYS 50 HA LYS 50 -4.791 1.303 -4.166 408 HB2 LYS 50 HB2 LYS 50 -5.849 3.568 -4.335 409 HB3 LYS 50 HB3 LYS 50 -5.160 3.749 -5.942 410 HG2 LYS 50 HG2 LYS 50 -6.516 1.710 -6.632 411 HG3 LYS 50 HG3 LYS 50 -7.312 1.800 -5.056 412 HD2 LYS 50 HD2 LYS 50 -7.391 3.843 -7.311 413 HD3 LYS 50 HD3 LYS 50 -8.742 2.924 -6.643 414 HE2 LYS 50 HE2 LYS 50 -8.453 4.170 -4.484 415 HE3 LYS 50 HE3 LYS 50 -7.186 5.133 -5.246 416 HZ1 LYS 50 HZ1 LYS 50 -10.042 5.024 -6.007 417 HZ2 LYS 50 HZ2 LYS 50 -8.858 5.839 -6.889 418 HZ3 LYS 50 HZ3 LYS 50 -9.221 6.329 -5.311 419 H TYR 51 H TYR 51 -3.060 3.115 -6.703 420 HA TYR 51 HA TYR 51 -3.234 1.012 -8.644 421 HB2 TYR 51 HB2 TYR 51 -2.234 3.797 -8.611 422 HB3 TYR 51 HB3 TYR 51 -1.263 2.739 -9.626 423 HD1 TYR 51 HD1 TYR 51 -2.577 1.186 -11.273 424 HD2 TYR 51 HD2 TYR 51 -4.236 4.731 -9.548 425 HE1 TYR 51 HE1 TYR 51 -4.249 1.246 -13.051 426 HE2 TYR 51 HE2 TYR 51 -5.922 4.805 -11.346 427 HH TYR 51 HH TYR 51 -6.210 3.941 -13.681 428 H SER 52 H SER 52 -0.841 1.861 -6.227 429 HA SER 52 HA SER 52 1.273 0.201 -7.140 430 HB2 SER 52 HB2 SER 52 0.488 1.022 -4.314 431 HB3 SER 52 HB3 SER 52 1.960 0.131 -4.692 432 HG SER 52 HG SER 52 1.472 2.762 -4.890 433 H ILE 53 H ILE 53 -1.436 -0.454 -4.888 434 HA ILE 53 HA ILE 53 -0.982 -3.166 -4.363 435 HB ILE 53 HB ILE 53 -3.552 -1.536 -4.369 436 HG12 ILE 53 HG12 ILE 53 -1.761 -2.518 -2.107 437 HG13 ILE 53 HG13 ILE 53 -1.862 -0.862 -2.693 438 HG21 ILE 53 HG21 ILE 53 -4.219 -3.878 -4.686 439 HG22 ILE 53 HG22 ILE 53 -4.643 -3.322 -3.065 440 HG23 ILE 53 HG23 ILE 53 -3.233 -4.361 -3.301 441 HD11 ILE 53 HD11 ILE 53 -3.051 -1.078 -0.624 442 HD12 ILE 53 HD12 ILE 53 -4.012 -2.413 -1.256 443 HD13 ILE 53 HD13 ILE 53 -4.214 -0.788 -1.916 444 H LYS 54 H LYS 54 -3.212 -1.746 -6.782 445 HA LYS 54 HA LYS 54 -4.122 -4.067 -8.024 446 HB2 LYS 54 HB2 LYS 54 -5.139 -1.869 -8.359 447 HB3 LYS 54 HB3 LYS 54 -3.693 -1.285 -9.175 448 HG2 LYS 54 HG2 LYS 54 -4.095 -2.723 -11.075 449 HG3 LYS 54 HG3 LYS 54 -5.417 -3.547 -10.243 450 HD2 LYS 54 HD2 LYS 54 -5.511 -0.562 -10.843 451 HD3 LYS 54 HD3 LYS 54 -6.031 -1.765 -12.021 452 HE2 LYS 54 HE2 LYS 54 -7.963 -0.899 -10.801 453 HE3 LYS 54 HE3 LYS 54 -7.734 -2.598 -10.412 454 HZ1 LYS 54 HZ1 LYS 54 -6.887 -0.324 -8.707 455 HZ2 LYS 54 HZ2 LYS 54 -6.768 -1.965 -8.314 456 HZ3 LYS 54 HZ3 LYS 54 -8.282 -1.248 -8.486 457 H ALA 55 H ALA 55 -1.301 -2.058 -8.902 458 HA ALA 55 HA ALA 55 -0.430 -3.623 -11.114 459 HB1 ALA 55 HB1 ALA 55 0.222 -1.274 -10.797 460 HB2 ALA 55 HB2 ALA 55 1.639 -2.318 -10.978 461 HB3 ALA 55 HB3 ALA 55 1.175 -1.727 -9.378 462 H LEU 56 H LEU 56 0.261 -3.836 -7.633 463 HA LEU 56 HA LEU 56 2.334 -5.842 -7.890 464 HB2 LEU 56 HB2 LEU 56 0.768 -4.838 -5.496 465 HB3 LEU 56 HB3 LEU 56 1.992 -6.093 -5.370 466 HG LEU 56 HG LEU 56 2.532 -3.250 -6.324 467 HD11 LEU 56 HD11 LEU 56 3.638 -2.897 -4.160 468 HD12 LEU 56 HD12 LEU 56 3.122 -4.498 -3.621 469 HD13 LEU 56 HD13 LEU 56 1.921 -3.248 -3.963 470 HD21 LEU 56 HD21 LEU 56 4.101 -4.879 -7.293 471 HD22 LEU 56 HD22 LEU 56 4.494 -5.478 -5.679 472 HD23 LEU 56 HD23 LEU 56 4.909 -3.822 -6.133 473 H VAL 57 H VAL 57 -1.183 -5.946 -7.644 474 HA VAL 57 HA VAL 57 -1.369 -8.795 -7.231 475 HB VAL 57 HB VAL 57 -3.383 -6.815 -8.406 476 HG11 VAL 57 HG11 VAL 57 -3.921 -9.068 -9.246 477 HG12 VAL 57 HG12 VAL 57 -5.113 -8.573 -8.042 478 HG13 VAL 57 HG13 VAL 57 -3.842 -9.717 -7.606 479 HG21 VAL 57 HG21 VAL 57 -3.220 -8.079 -5.635 480 HG22 VAL 57 HG22 VAL 57 -4.503 -7.001 -6.191 481 HG23 VAL 57 HG23 VAL 57 -2.854 -6.397 -6.025 482 H GLN 58 H GLN 58 -0.974 -6.685 -10.025 483 HA GLN 58 HA GLN 58 -1.043 -8.748 -12.038 484 HB2 GLN 58 HB2 GLN 58 -0.015 -5.883 -12.070 485 HB3 GLN 58 HB3 GLN 58 0.008 -6.925 -13.491 486 HG2 GLN 58 HG2 GLN 58 -2.492 -6.130 -11.958 487 HG3 GLN 58 HG3 GLN 58 -1.921 -5.363 -13.443 488 HE21 GLN 58 HE21 GLN 58 -3.397 -8.226 -12.088 489 HE22 GLN 58 HE22 GLN 58 -3.880 -8.931 -13.586 490 H ASN 59 H ASN 59 1.519 -7.316 -10.029 491 HA ASN 59 HA ASN 59 3.619 -8.944 -11.272 492 HB2 ASN 59 HB2 ASN 59 3.620 -6.952 -8.966 493 HB3 ASN 59 HB3 ASN 59 5.012 -7.986 -9.271 494 HD21 ASN 59 HD21 ASN 59 3.239 -5.218 -10.373 495 HD22 ASN 59 HD22 ASN 59 4.350 -4.741 -11.592 496 H ASP 60 H ASP 60 1.150 -9.584 -9.181 497 HA ASP 60 HA ASP 60 0.543 -11.293 -7.858 498 HB2 ASP 60 HB2 ASP 60 2.995 -12.726 -8.947 499 HB3 ASP 60 HB3 ASP 60 1.610 -13.481 -8.168 500 H THR 61 H THR 61 2.615 -9.272 -6.933 501 HA THR 61 HA THR 61 4.057 -10.459 -4.761 502 HB THR 61 HB THR 61 3.308 -7.517 -5.171 503 HG1 THR 61 HG1 THR 61 5.464 -7.417 -6.118 504 HG21 THR 61 HG21 THR 61 5.324 -7.025 -3.816 505 HG22 THR 61 HG22 THR 61 5.594 -8.752 -3.573 506 HG23 THR 61 HG23 THR 61 4.162 -7.977 -2.890 507 H LEU 62 H LEU 62 0.891 -8.909 -5.177 508 HA LEU 62 HA LEU 62 0.248 -9.346 -2.310 509 HB2 LEU 62 HB2 LEU 62 -0.980 -7.302 -4.209 510 HB3 LEU 62 HB3 LEU 62 -1.466 -7.567 -2.538 511 HG LEU 62 HG LEU 62 1.162 -6.396 -3.524 512 HD11 LEU 62 HD11 LEU 62 -0.741 -4.846 -3.498 513 HD12 LEU 62 HD12 LEU 62 0.464 -4.404 -2.293 514 HD13 LEU 62 HD13 LEU 62 -1.030 -5.204 -1.792 515 HD21 LEU 62 HD21 LEU 62 1.826 -6.173 -1.148 516 HD22 LEU 62 HD22 LEU 62 1.697 -7.854 -1.652 517 HD23 LEU 62 HD23 LEU 62 0.419 -7.132 -0.673 518 H LEU 63 H LEU 63 -1.729 -10.186 -1.743 519 HA LEU 63 HA LEU 63 -3.393 -11.472 -3.829 520 HB2 LEU 63 HB2 LEU 63 -2.866 -12.348 -0.955 521 HB3 LEU 63 HB3 LEU 63 -4.011 -13.124 -2.041 522 HG LEU 63 HG LEU 63 -0.989 -13.017 -2.439 523 HD11 LEU 63 HD11 LEU 63 -2.763 -15.358 -1.668 524 HD12 LEU 63 HD12 LEU 63 -1.619 -14.520 -0.615 525 HD13 LEU 63 HD13 LEU 63 -1.028 -15.434 -2.001 526 HD21 LEU 63 HD21 LEU 63 -3.114 -14.389 -4.132 527 HD22 LEU 63 HD22 LEU 63 -1.368 -14.558 -4.341 528 HD23 LEU 63 HD23 LEU 63 -2.136 -12.994 -4.602 529 H GLN 64 H GLN 64 -5.423 -10.704 -3.986 530 HA GLN 64 HA GLN 64 -6.483 -8.805 -2.043 531 HB2 GLN 64 HB2 GLN 64 -8.394 -8.558 -3.670 532 HB3 GLN 64 HB3 GLN 64 -6.814 -8.154 -4.326 533 HG2 GLN 64 HG2 GLN 64 -6.723 -10.230 -5.552 534 HG3 GLN 64 HG3 GLN 64 -8.198 -10.808 -4.790 535 HE21 GLN 64 HE21 GLN 64 -7.558 -10.370 -7.669 536 HE22 GLN 64 HE22 GLN 64 -8.814 -9.336 -8.246 537 H VAL 65 H VAL 65 -7.495 -9.524 -0.322 538 HA VAL 65 HA VAL 65 -9.088 -12.026 -0.350 539 HB VAL 65 HB VAL 65 -8.010 -10.667 2.162 540 HG11 VAL 65 HG11 VAL 65 -8.403 -12.885 3.205 541 HG12 VAL 65 HG12 VAL 65 -9.007 -13.503 1.667 542 HG13 VAL 65 HG13 VAL 65 -9.889 -12.227 2.509 543 HG21 VAL 65 HG21 VAL 65 -6.059 -11.241 0.782 544 HG22 VAL 65 HG22 VAL 65 -6.645 -12.898 0.607 545 HG23 VAL 65 HG23 VAL 65 -6.151 -12.299 2.194 546 H LYS 66 H LYS 66 -11.072 -11.186 -0.976 547 HA LYS 66 HA LYS 66 -12.240 -8.938 0.534 548 HB2 LYS 66 HB2 LYS 66 -14.085 -9.107 -1.227 549 HB3 LYS 66 HB3 LYS 66 -12.506 -8.604 -1.791 550 HG2 LYS 66 HG2 LYS 66 -13.268 -10.067 -3.464 551 HG3 LYS 66 HG3 LYS 66 -12.141 -11.043 -2.518 552 HD2 LYS 66 HD2 LYS 66 -14.083 -12.067 -1.321 553 HD3 LYS 66 HD3 LYS 66 -15.185 -11.118 -2.325 554 HE2 LYS 66 HE2 LYS 66 -14.361 -12.276 -4.333 555 HE3 LYS 66 HE3 LYS 66 -13.205 -13.182 -3.354 556 HZ1 LYS 66 HZ1 LYS 66 -15.111 -14.127 -2.152 557 HZ2 LYS 66 HZ2 LYS 66 -15.088 -14.534 -3.792 558 HZ3 LYS 66 HZ3 LYS 66 -16.161 -13.355 -3.232 559 H GLY 67 H GLY 67 -14.470 -9.097 1.368 560 HA2 GLY 67 HA2 GLY 67 -16.161 -10.096 2.585 561 HA3 GLY 67 HA3 GLY 67 -15.759 -11.624 1.814 562 H THR 68 H THR 68 -13.176 -10.048 3.476 563 HA THR 68 HA THR 68 -13.373 -11.891 5.799 564 HB THR 68 HB THR 68 -11.327 -12.135 4.391 565 HG1 THR 68 HG1 THR 68 -10.982 -12.695 6.486 566 HG21 THR 68 HG21 THR 68 -11.078 -9.802 3.617 567 HG22 THR 68 HG22 THR 68 -9.592 -10.383 4.368 568 HG23 THR 68 HG23 THR 68 -10.660 -9.293 5.254 569 H GLY 69 H GLY 69 -14.805 -9.313 5.503 570 HA2 GLY 69 HA2 GLY 69 -15.381 -7.517 6.833 571 HA3 GLY 69 HA3 GLY 69 -14.038 -7.888 7.907 572 H ALA 70 H ALA 70 -14.750 -5.269 7.161 573 HA ALA 70 HA ALA 70 -13.913 -3.270 6.482 574 HB1 ALA 70 HB1 ALA 70 -11.462 -3.012 6.524 575 HB2 ALA 70 HB2 ALA 70 -11.266 -4.765 6.443 576 HB3 ALA 70 HB3 ALA 70 -12.003 -4.025 7.865 577 H ASN 71 H ASN 71 -14.979 -4.934 4.402 578 HA ASN 71 HA ASN 71 -15.386 -4.918 2.196 579 HB2 ASN 71 HB2 ASN 71 -15.039 -2.509 2.162 580 HB3 ASN 71 HB3 ASN 71 -13.294 -2.708 2.101 581 HD21 ASN 71 HD21 ASN 71 -13.130 -1.463 0.229 582 HD22 ASN 71 HD22 ASN 71 -13.663 -2.028 -1.313 583 H GLY 72 H GLY 72 -11.822 -4.367 2.051 584 HA2 GLY 72 HA2 GLY 72 -11.380 -7.111 1.067 585 HA3 GLY 72 HA3 GLY 72 -11.079 -5.799 -0.061 586 H SER 73 H SER 73 -9.716 -7.712 2.358 587 HA SER 73 HA SER 73 -7.597 -5.842 3.144 588 HB2 SER 73 HB2 SER 73 -8.152 -8.722 3.979 589 HB3 SER 73 HB3 SER 73 -6.847 -7.731 4.619 590 HG SER 73 HG SER 73 -8.966 -6.255 4.923 591 H PHE 74 H PHE 74 -5.504 -5.961 2.424 592 HA PHE 74 HA PHE 74 -4.850 -7.875 0.264 593 HB2 PHE 74 HB2 PHE 74 -3.730 -5.064 0.658 594 HB3 PHE 74 HB3 PHE 74 -3.463 -6.118 -0.727 595 HD1 PHE 74 HD1 PHE 74 -5.572 -6.837 -2.089 596 HD2 PHE 74 HD2 PHE 74 -5.516 -3.501 0.594 597 HE1 PHE 74 HE1 PHE 74 -7.549 -5.898 -3.208 598 HE2 PHE 74 HE2 PHE 74 -7.494 -2.568 -0.532 599 HZ PHE 74 HZ PHE 74 -8.512 -3.764 -2.431 600 H LYS 75 H LYS 75 -3.072 -9.126 0.507 601 HA LYS 75 HA LYS 75 -1.199 -8.620 2.759 602 HB2 LYS 75 HB2 LYS 75 -1.159 -11.041 3.270 603 HB3 LYS 75 HB3 LYS 75 -2.761 -10.355 3.486 604 HG2 LYS 75 HG2 LYS 75 -3.508 -11.319 1.366 605 HG3 LYS 75 HG3 LYS 75 -1.884 -11.956 1.070 606 HD2 LYS 75 HD2 LYS 75 -2.095 -13.346 3.146 607 HD3 LYS 75 HD3 LYS 75 -3.751 -12.758 3.346 608 HE2 LYS 75 HE2 LYS 75 -4.408 -13.823 1.237 609 HE3 LYS 75 HE3 LYS 75 -2.740 -14.309 0.938 610 HZ1 LYS 75 HZ1 LYS 75 -2.842 -15.678 2.938 611 HZ2 LYS 75 HZ2 LYS 75 -3.991 -16.139 1.790 612 HZ3 LYS 75 HZ3 LYS 75 -4.464 -15.251 3.149 613 H LEU 76 H LEU 76 0.864 -9.848 2.593 614 HA LEU 76 HA LEU 76 2.038 -9.757 -0.031 615 HB2 LEU 76 HB2 LEU 76 3.140 -10.997 2.528 616 HB3 LEU 76 HB3 LEU 76 4.061 -10.683 1.063 617 HG LEU 76 HG LEU 76 2.876 -8.596 2.945 618 HD11 LEU 76 HD11 LEU 76 5.771 -9.261 2.324 619 HD12 LEU 76 HD12 LEU 76 4.906 -9.647 3.813 620 HD13 LEU 76 HD13 LEU 76 5.199 -7.966 3.381 621 HD21 LEU 76 HD21 LEU 76 4.381 -8.138 0.343 622 HD22 LEU 76 HD22 LEU 76 3.959 -6.890 1.520 623 HD23 LEU 76 HD23 LEU 76 2.687 -7.755 0.666 624 H ASN 77 H ASN 77 2.505 -11.466 -1.411 625 HA ASN 77 HA ASN 77 0.898 -13.841 -1.185 626 HB2 ASN 77 HB2 ASN 77 1.419 -12.580 -3.355 627 HB3 ASN 77 HB3 ASN 77 3.031 -13.281 -3.294 628 HD21 ASN 77 HD21 ASN 77 1.154 -13.660 -5.386 629 HD22 ASN 77 HD22 ASN 77 0.741 -15.332 -5.434 630 H ARG 78 H ARG 78 1.593 -15.174 0.417 631 HA ARG 78 HA ARG 78 4.404 -15.986 0.664 632 HB2 ARG 78 HB2 ARG 78 3.065 -15.392 2.684 633 HB3 ARG 78 HB3 ARG 78 1.946 -16.699 2.334 634 HG2 ARG 78 HG2 ARG 78 3.461 -17.325 4.140 635 HG3 ARG 78 HG3 ARG 78 3.740 -18.350 2.731 636 HD2 ARG 78 HD2 ARG 78 5.687 -16.855 2.129 637 HD3 ARG 78 HD3 ARG 78 5.449 -16.019 3.668 638 HE ARG 78 HE ARG 78 5.697 -18.549 4.485 639 HH11 ARG 78 HH11 ARG 78 7.680 -16.784 2.262 640 HH12 ARG 78 HH12 ARG 78 9.101 -17.668 2.678 641 HH21 ARG 78 HH21 ARG 78 7.498 -19.673 4.970 642 HH22 ARG 78 HH22 ARG 78 8.999 -19.298 4.198 643 H LYS 79 H LYS 79 1.645 -17.029 -1.024 644 HA LYS 79 HA LYS 79 2.629 -19.814 -1.292 645 HB2 LYS 79 HB2 LYS 79 0.730 -19.657 0.375 646 HB3 LYS 79 HB3 LYS 79 -0.302 -19.023 -0.901 647 HG2 LYS 79 HG2 LYS 79 -0.053 -21.152 -2.146 648 HG3 LYS 79 HG3 LYS 79 0.985 -21.780 -0.864 649 HD2 LYS 79 HD2 LYS 79 -1.841 -20.844 -0.247 650 HD3 LYS 79 HD3 LYS 79 -1.553 -22.450 -0.917 651 HE2 LYS 79 HE2 LYS 79 -1.710 -22.638 1.485 652 HE3 LYS 79 HE3 LYS 79 -0.044 -22.945 1.014 653 HZ1 LYS 79 HZ1 LYS 79 0.520 -20.702 1.715 654 HZ2 LYS 79 HZ2 LYS 79 -0.179 -21.574 2.979 655 HZ3 LYS 79 HZ3 LYS 79 -1.083 -20.406 2.158 656 H LYS 80 H LYS 80 3.292 -17.892 -3.152 657 HA LYS 80 HA LYS 80 1.633 -17.708 -5.434 658 HB2 LYS 80 HB2 LYS 80 3.715 -16.369 -5.114 659 HB3 LYS 80 HB3 LYS 80 4.684 -17.816 -5.350 660 HG2 LYS 80 HG2 LYS 80 4.723 -16.527 -7.387 661 HG3 LYS 80 HG3 LYS 80 3.793 -18.001 -7.673 662 HD2 LYS 80 HD2 LYS 80 1.697 -16.568 -7.202 663 HD3 LYS 80 HD3 LYS 80 2.761 -15.158 -7.338 664 HE2 LYS 80 HE2 LYS 80 2.288 -17.266 -9.483 665 HE3 LYS 80 HE3 LYS 80 1.591 -15.648 -9.460 666 HZ1 LYS 80 HZ1 LYS 80 3.819 -14.733 -9.674 667 HZ2 LYS 80 HZ2 LYS 80 3.480 -15.788 -10.949 668 HZ3 LYS 80 HZ3 LYS 80 4.485 -16.286 -9.686 669 H LEU 81 H LEU 81 3.514 -20.315 -4.190 670 HA LEU 81 HA LEU 81 3.777 -22.171 -6.203 671 HB2 LEU 81 HB2 LEU 81 2.989 -22.588 -3.297 672 HB3 LEU 81 HB3 LEU 81 3.572 -23.868 -4.352 673 HG LEU 81 HG LEU 81 5.192 -21.410 -3.555 674 HD11 LEU 81 HD11 LEU 81 6.498 -22.916 -2.129 675 HD12 LEU 81 HD12 LEU 81 5.402 -24.248 -2.508 676 HD13 LEU 81 HD13 LEU 81 4.812 -22.840 -1.619 677 HD21 LEU 81 HD21 LEU 81 6.053 -23.905 -5.070 678 HD22 LEU 81 HD22 LEU 81 7.111 -22.587 -4.557 679 HD23 LEU 81 HD23 LEU 81 5.854 -22.288 -5.753 680 H GLU 82 H GLU 82 0.826 -21.459 -4.302 681 HA GLU 82 HA GLU 82 -0.770 -23.218 -6.083 682 HB2 GLU 82 HB2 GLU 82 -1.555 -22.043 -3.377 683 HB3 GLU 82 HB3 GLU 82 -2.531 -23.142 -4.353 684 HG2 GLU 82 HG2 GLU 82 0.123 -23.781 -3.021 685 HG3 GLU 82 HG3 GLU 82 -1.466 -24.314 -2.483 686 H GLY 83 H GLY 83 -1.187 -20.098 -4.334 687 HA2 GLY 83 HA2 GLY 83 -2.180 -18.774 -6.769 688 HA3 GLY 83 HA3 GLY 83 -3.292 -18.891 -5.411 Start of MODEL 14 1 H1 SER 1 H1 SER 1 23.410 1.389 -12.359 2 H2 SER 1 H2 SER 1 23.449 2.492 -11.073 3 H3 SER 1 H3 SER 1 23.176 3.037 -12.650 4 HA SER 1 HA SER 1 21.153 2.998 -11.328 5 HB2 SER 1 HB2 SER 1 21.212 1.013 -13.646 6 HB3 SER 1 HB3 SER 1 19.766 1.827 -13.036 7 HG SER 1 HG SER 1 20.891 2.768 -14.933 8 H HIS 2 H HIS 2 19.724 1.884 -9.981 9 HA HIS 2 HA HIS 2 19.956 -1.005 -9.568 10 HB2 HIS 2 HB2 HIS 2 20.232 -0.779 -7.080 11 HB3 HIS 2 HB3 HIS 2 21.638 -0.233 -7.983 12 HD1 HIS 2 HD1 HIS 2 22.308 2.223 -7.768 13 HD2 HIS 2 HD2 HIS 2 18.821 1.298 -5.703 14 HE1 HIS 2 HE1 HIS 2 21.844 4.207 -6.310 15 HE2 HIS 2 HE2 HIS 2 19.655 3.691 -5.194 16 H MET 3 H MET 3 18.060 -1.910 -8.994 17 HA MET 3 HA MET 3 15.860 -2.265 -8.873 18 HB2 MET 3 HB2 MET 3 14.670 -1.511 -6.976 19 HB3 MET 3 HB3 MET 3 16.352 -1.473 -6.481 20 HG2 MET 3 HG2 MET 3 16.399 0.959 -6.712 21 HG3 MET 3 HG3 MET 3 14.755 0.953 -7.353 22 HE1 MET 3 HE1 MET 3 14.242 2.634 -3.856 23 HE2 MET 3 HE2 MET 3 13.986 2.777 -5.595 24 HE3 MET 3 HE3 MET 3 15.621 2.844 -4.936 25 H GLN 4 H GLN 4 13.582 -1.466 -9.155 26 HA GLN 4 HA GLN 4 13.351 0.695 -11.112 27 HB2 GLN 4 HB2 GLN 4 11.263 -1.184 -9.927 28 HB3 GLN 4 HB3 GLN 4 10.905 0.058 -11.118 29 HG2 GLN 4 HG2 GLN 4 11.048 -2.025 -12.275 30 HG3 GLN 4 HG3 GLN 4 12.475 -1.088 -12.708 31 HE21 GLN 4 HE21 GLN 4 13.666 -2.915 -13.307 32 HE22 GLN 4 HE22 GLN 4 14.236 -4.080 -12.171 33 HA PRO 5 HA PRO 5 12.755 3.662 -7.761 34 HB2 PRO 5 HB2 PRO 5 11.856 5.564 -9.877 35 HB3 PRO 5 HB3 PRO 5 13.238 5.669 -8.780 36 HG2 PRO 5 HG2 PRO 5 13.592 5.157 -11.386 37 HG3 PRO 5 HG3 PRO 5 14.600 4.354 -10.160 38 HD2 PRO 5 HD2 PRO 5 12.172 3.275 -11.615 39 HD3 PRO 5 HD3 PRO 5 13.753 2.500 -11.343 40 H GLY 6 H GLY 6 10.180 2.115 -9.065 41 HA2 GLY 6 HA2 GLY 6 7.951 3.775 -8.334 42 HA3 GLY 6 HA3 GLY 6 7.925 2.039 -8.586 43 H LYS 7 H LYS 7 8.891 4.502 -6.220 44 HA LYS 7 HA LYS 7 9.596 2.654 -4.169 45 HB2 LYS 7 HB2 LYS 7 10.598 4.930 -4.499 46 HB3 LYS 7 HB3 LYS 7 9.095 5.644 -3.923 47 HG2 LYS 7 HG2 LYS 7 9.421 4.591 -1.719 48 HG3 LYS 7 HG3 LYS 7 10.896 3.810 -2.299 49 HD2 LYS 7 HD2 LYS 7 11.918 6.050 -2.653 50 HD3 LYS 7 HD3 LYS 7 10.449 6.812 -2.035 51 HE2 LYS 7 HE2 LYS 7 10.819 5.809 0.165 52 HE3 LYS 7 HE3 LYS 7 12.215 4.915 -0.441 53 HZ1 LYS 7 HZ1 LYS 7 13.300 7.035 -0.887 54 HZ2 LYS 7 HZ2 LYS 7 12.915 6.862 0.750 55 HZ3 LYS 7 HZ3 LYS 7 11.977 7.864 -0.240 56 H TYR 8 H TYR 8 6.541 4.124 -4.979 57 HA TYR 8 HA TYR 8 5.250 3.889 -2.441 58 HB2 TYR 8 HB2 TYR 8 4.122 4.059 -5.259 59 HB3 TYR 8 HB3 TYR 8 3.109 4.034 -3.820 60 HD1 TYR 8 HD1 TYR 8 3.221 5.952 -2.176 61 HD2 TYR 8 HD2 TYR 8 5.264 6.098 -5.935 62 HE1 TYR 8 HE1 TYR 8 3.430 8.391 -1.964 63 HE2 TYR 8 HE2 TYR 8 5.476 8.542 -5.718 64 HH TYR 8 HH TYR 8 4.966 10.198 -2.855 65 H SER 9 H SER 9 5.704 1.583 -5.140 66 HA SER 9 HA SER 9 3.983 -0.478 -4.171 67 HB2 SER 9 HB2 SER 9 5.118 -1.979 -5.702 68 HB3 SER 9 HB3 SER 9 5.016 -0.410 -6.496 69 HG SER 9 HG SER 9 7.114 -0.362 -6.570 70 H GLN 10 H GLN 10 7.423 0.192 -3.673 71 HA GLN 10 HA GLN 10 8.079 -1.995 -1.996 72 HB2 GLN 10 HB2 GLN 10 9.384 0.762 -2.070 73 HB3 GLN 10 HB3 GLN 10 10.118 -0.723 -1.465 74 HG2 GLN 10 HG2 GLN 10 9.344 -0.158 -4.348 75 HG3 GLN 10 HG3 GLN 10 10.979 -0.118 -3.691 76 HE21 GLN 10 HE21 GLN 10 9.787 -1.772 -5.858 77 HE22 GLN 10 HE22 GLN 10 10.108 -3.406 -5.414 78 H LEU 11 H LEU 11 6.925 1.283 -1.316 79 HA LEU 11 HA LEU 11 7.007 1.345 1.473 80 HB2 LEU 11 HB2 LEU 11 6.543 3.321 0.067 81 HB3 LEU 11 HB3 LEU 11 5.002 2.637 -0.418 82 HG LEU 11 HG LEU 11 4.193 2.834 1.953 83 HD11 LEU 11 HD11 LEU 11 6.815 4.277 2.468 84 HD12 LEU 11 HD12 LEU 11 6.330 2.717 3.140 85 HD13 LEU 11 HD13 LEU 11 5.449 4.175 3.583 86 HD21 LEU 11 HD21 LEU 11 5.157 5.454 0.749 87 HD22 LEU 11 HD22 LEU 11 3.862 5.267 1.936 88 HD23 LEU 11 HD23 LEU 11 3.674 4.598 0.316 89 H VAL 12 H VAL 12 4.371 0.236 -0.677 90 HA VAL 12 HA VAL 12 2.495 -0.519 1.297 91 HB VAL 12 HB VAL 12 2.884 -1.590 -1.536 92 HG11 VAL 12 HG11 VAL 12 0.570 -2.487 -1.375 93 HG12 VAL 12 HG12 VAL 12 0.522 -2.053 0.333 94 HG13 VAL 12 HG13 VAL 12 1.658 -3.279 -0.233 95 HG21 VAL 12 HG21 VAL 12 0.984 -0.114 -2.113 96 HG22 VAL 12 HG22 VAL 12 2.314 0.817 -1.425 97 HG23 VAL 12 HG23 VAL 12 0.900 0.446 -0.439 98 H VAL 13 H VAL 13 4.955 -2.522 -0.386 99 HA VAL 13 HA VAL 13 4.442 -5.005 0.779 100 HB VAL 13 HB VAL 13 7.118 -3.858 -0.144 101 HG11 VAL 13 HG11 VAL 13 7.911 -6.226 -0.282 102 HG12 VAL 13 HG12 VAL 13 6.432 -6.756 0.513 103 HG13 VAL 13 HG13 VAL 13 7.577 -5.732 1.378 104 HG21 VAL 13 HG21 VAL 13 6.701 -5.178 -2.211 105 HG22 VAL 13 HG22 VAL 13 5.419 -3.997 -1.935 106 HG23 VAL 13 HG23 VAL 13 5.142 -5.699 -1.561 107 H GLU 14 H GLU 14 6.796 -2.544 1.879 108 HA GLU 14 HA GLU 14 7.634 -3.861 4.234 109 HB2 GLU 14 HB2 GLU 14 7.737 -0.902 3.518 110 HB3 GLU 14 HB3 GLU 14 8.555 -1.618 4.906 111 HG2 GLU 14 HG2 GLU 14 9.843 -3.080 3.345 112 HG3 GLU 14 HG3 GLU 14 9.087 -2.248 1.986 113 H THR 15 H THR 15 5.010 -1.514 3.689 114 HA THR 15 HA THR 15 4.189 -1.036 6.337 115 HB THR 15 HB THR 15 2.578 -1.061 3.751 116 HG1 THR 15 HG1 THR 15 3.555 0.798 3.590 117 HG21 THR 15 HG21 THR 15 1.643 -0.081 6.474 118 HG22 THR 15 HG22 THR 15 0.964 -1.434 5.567 119 HG23 THR 15 HG23 THR 15 0.809 0.210 4.946 120 H ILE 16 H ILE 16 3.179 -3.598 4.070 121 HA ILE 16 HA ILE 16 1.331 -4.896 5.810 122 HB ILE 16 HB ILE 16 2.783 -5.936 3.337 123 HG12 ILE 16 HG12 ILE 16 -0.048 -4.831 3.672 124 HG13 ILE 16 HG13 ILE 16 1.295 -3.971 2.929 125 HG21 ILE 16 HG21 ILE 16 0.394 -7.177 4.758 126 HG22 ILE 16 HG22 ILE 16 2.024 -7.852 4.692 127 HG23 ILE 16 HG23 ILE 16 1.067 -7.716 3.217 128 HD11 ILE 16 HD11 ILE 16 1.347 -5.650 1.131 129 HD12 ILE 16 HD12 ILE 16 -0.208 -4.830 1.253 130 HD13 ILE 16 HD13 ILE 16 -0.029 -6.470 1.875 131 H ARG 17 H ARG 17 4.838 -5.346 5.269 132 HA ARG 17 HA ARG 17 5.150 -7.640 6.943 133 HB2 ARG 17 HB2 ARG 17 7.258 -5.510 6.398 134 HB3 ARG 17 HB3 ARG 17 7.547 -7.139 7.002 135 HG2 ARG 17 HG2 ARG 17 6.316 -7.763 4.685 136 HG3 ARG 17 HG3 ARG 17 6.971 -6.194 4.223 137 HD2 ARG 17 HD2 ARG 17 8.561 -7.888 3.572 138 HD3 ARG 17 HD3 ARG 17 9.246 -7.024 4.955 139 HE ARG 17 HE ARG 17 7.811 -9.251 5.893 140 HH11 ARG 17 HH11 ARG 17 10.770 -8.639 4.189 141 HH12 ARG 17 HH12 ARG 17 11.478 -10.121 4.716 142 HH21 ARG 17 HH21 ARG 17 8.747 -11.123 6.521 143 HH22 ARG 17 HH22 ARG 17 10.357 -11.497 6.017 144 H ARG 18 H ARG 18 5.202 -4.173 7.619 145 HA ARG 18 HA ARG 18 6.027 -4.267 10.339 146 HB2 ARG 18 HB2 ARG 18 4.454 -2.182 8.780 147 HB3 ARG 18 HB3 ARG 18 4.996 -1.933 10.436 148 HG2 ARG 18 HG2 ARG 18 6.966 -2.601 8.235 149 HG3 ARG 18 HG3 ARG 18 6.412 -0.949 8.493 150 HD2 ARG 18 HD2 ARG 18 8.587 -1.406 9.597 151 HD3 ARG 18 HD3 ARG 18 7.340 -0.939 10.747 152 HE ARG 18 HE ARG 18 7.284 -3.138 11.579 153 HH11 ARG 18 HH11 ARG 18 9.715 -2.865 9.114 154 HH12 ARG 18 HH12 ARG 18 10.544 -4.279 9.656 155 HH21 ARG 18 HH21 ARG 18 8.362 -4.924 12.222 156 HH22 ARG 18 HH22 ARG 18 9.791 -5.423 11.389 157 H LEU 19 H LEU 19 2.811 -4.202 8.823 158 HA LEU 19 HA LEU 19 1.260 -4.419 11.211 159 HB2 LEU 19 HB2 LEU 19 0.631 -5.122 8.313 160 HB3 LEU 19 HB3 LEU 19 -0.570 -5.117 9.599 161 HG LEU 19 HG LEU 19 1.029 -2.654 8.776 162 HD11 LEU 19 HD11 LEU 19 -0.988 -1.843 7.647 163 HD12 LEU 19 HD12 LEU 19 -1.803 -3.375 7.969 164 HD13 LEU 19 HD13 LEU 19 -0.391 -3.329 6.909 165 HD21 LEU 19 HD21 LEU 19 -1.417 -2.918 10.564 166 HD22 LEU 19 HD22 LEU 19 -0.635 -1.406 10.099 167 HD23 LEU 19 HD23 LEU 19 0.232 -2.569 11.096 168 H GLY 20 H GLY 20 2.724 -6.769 9.009 169 HA2 GLY 20 HA2 GLY 20 2.957 -9.049 9.013 170 HA3 GLY 20 HA3 GLY 20 2.897 -8.929 10.763 171 H GLU 21 H GLU 21 0.335 -8.197 8.397 172 HA GLU 21 HA GLU 21 -1.617 -9.483 10.037 173 HB2 GLU 21 HB2 GLU 21 -1.666 -7.505 7.970 174 HB3 GLU 21 HB3 GLU 21 -2.696 -8.809 7.404 175 HG2 GLU 21 HG2 GLU 21 -2.972 -7.223 9.967 176 HG3 GLU 21 HG3 GLU 21 -4.050 -7.209 8.574 177 H ARG 22 H ARG 22 -2.098 -11.544 10.079 178 HA ARG 22 HA ARG 22 -1.210 -13.504 8.218 179 HB2 ARG 22 HB2 ARG 22 -1.436 -14.091 10.552 180 HB3 ARG 22 HB3 ARG 22 -3.135 -13.635 10.565 181 HG2 ARG 22 HG2 ARG 22 -3.653 -15.540 9.063 182 HG3 ARG 22 HG3 ARG 22 -1.945 -15.991 9.055 183 HD2 ARG 22 HD2 ARG 22 -2.029 -16.457 11.457 184 HD3 ARG 22 HD3 ARG 22 -3.708 -15.904 11.528 185 HE ARG 22 HE ARG 22 -3.715 -17.909 9.654 186 HH11 ARG 22 HH11 ARG 22 -2.781 -17.769 12.986 187 HH12 ARG 22 HH12 ARG 22 -3.211 -19.419 13.271 188 HH21 ARG 22 HH21 ARG 22 -4.274 -19.985 10.053 189 HH22 ARG 22 HH22 ARG 22 -4.052 -20.657 11.631 190 H ASN 23 H ASN 23 -4.401 -12.048 8.856 191 HA ASN 23 HA ASN 23 -5.733 -13.682 6.851 192 HB2 ASN 23 HB2 ASN 23 -6.763 -11.407 8.581 193 HB3 ASN 23 HB3 ASN 23 -7.771 -12.371 7.506 194 HD21 ASN 23 HD21 ASN 23 -6.410 -14.907 8.128 195 HD22 ASN 23 HD22 ASN 23 -6.913 -15.320 9.722 196 H GLY 24 H GLY 24 -4.580 -10.332 7.121 197 HA2 GLY 24 HA2 GLY 24 -3.930 -9.411 4.831 198 HA3 GLY 24 HA3 GLY 24 -5.600 -9.716 4.393 199 H SER 25 H SER 25 -4.047 -7.166 4.520 200 HA SER 25 HA SER 25 -5.545 -5.637 6.579 201 HB2 SER 25 HB2 SER 25 -3.090 -5.561 6.847 202 HB3 SER 25 HB3 SER 25 -2.908 -4.970 5.196 203 HG SER 25 HG SER 25 -3.858 -3.667 7.479 204 H SER 26 H SER 26 -7.012 -4.145 5.868 205 HA SER 26 HA SER 26 -7.788 -3.985 3.141 206 HB2 SER 26 HB2 SER 26 -9.461 -2.348 3.869 207 HB3 SER 26 HB3 SER 26 -9.362 -3.647 5.056 208 HG SER 26 HG SER 26 -8.873 -2.199 6.486 209 H LEU 27 H LEU 27 -7.860 -2.105 1.708 210 HA LEU 27 HA LEU 27 -5.555 -0.549 1.424 211 HB2 LEU 27 HB2 LEU 27 -7.087 -0.928 -0.422 212 HB3 LEU 27 HB3 LEU 27 -8.377 -0.081 0.409 213 HG LEU 27 HG LEU 27 -7.161 2.071 0.127 214 HD11 LEU 27 HD11 LEU 27 -5.108 0.501 -1.458 215 HD12 LEU 27 HD12 LEU 27 -4.843 1.291 0.099 216 HD13 LEU 27 HD13 LEU 27 -5.200 2.260 -1.328 217 HD21 LEU 27 HD21 LEU 27 -8.809 1.401 -1.556 218 HD22 LEU 27 HD22 LEU 27 -7.552 0.572 -2.479 219 HD23 LEU 27 HD23 LEU 27 -7.497 2.326 -2.289 220 H ALA 28 H ALA 28 -8.388 0.065 3.415 221 HA ALA 28 HA ALA 28 -7.913 2.791 4.107 222 HB1 ALA 28 HB1 ALA 28 -9.306 0.611 5.711 223 HB2 ALA 28 HB2 ALA 28 -10.068 1.669 4.524 224 HB3 ALA 28 HB3 ALA 28 -9.418 2.350 6.014 225 H LYS 29 H LYS 29 -6.980 -0.272 5.716 226 HA LYS 29 HA LYS 29 -5.624 0.942 7.925 227 HB2 LYS 29 HB2 LYS 29 -6.623 -1.347 7.993 228 HB3 LYS 29 HB3 LYS 29 -5.392 -1.907 6.868 229 HG2 LYS 29 HG2 LYS 29 -4.746 -2.592 9.084 230 HG3 LYS 29 HG3 LYS 29 -3.634 -1.321 8.567 231 HD2 LYS 29 HD2 LYS 29 -4.936 0.330 9.912 232 HD3 LYS 29 HD3 LYS 29 -6.011 -0.969 10.440 233 HE2 LYS 29 HE2 LYS 29 -3.976 -2.113 11.433 234 HE3 LYS 29 HE3 LYS 29 -3.058 -0.648 11.069 235 HZ1 LYS 29 HZ1 LYS 29 -3.827 -0.631 13.326 236 HZ2 LYS 29 HZ2 LYS 29 -5.426 -0.852 12.838 237 HZ3 LYS 29 HZ3 LYS 29 -4.623 0.586 12.463 238 H ILE 30 H ILE 30 -4.428 -0.642 4.944 239 HA ILE 30 HA ILE 30 -1.679 -0.248 5.257 240 HB ILE 30 HB ILE 30 -3.279 -0.315 2.655 241 HG12 ILE 30 HG12 ILE 30 -1.770 -2.537 4.112 242 HG13 ILE 30 HG13 ILE 30 -3.520 -2.376 4.032 243 HG21 ILE 30 HG21 ILE 30 -0.273 -0.668 3.020 244 HG22 ILE 30 HG22 ILE 30 -1.066 0.700 2.235 245 HG23 ILE 30 HG23 ILE 30 -1.157 -0.904 1.510 246 HD11 ILE 30 HD11 ILE 30 -3.406 -2.733 1.586 247 HD12 ILE 30 HD12 ILE 30 -2.762 -4.085 2.515 248 HD13 ILE 30 HD13 ILE 30 -1.660 -2.960 1.724 249 H TYR 31 H TYR 31 -4.144 1.949 3.810 250 HA TYR 31 HA TYR 31 -2.433 4.084 3.153 251 HB2 TYR 31 HB2 TYR 31 -4.821 3.975 2.420 252 HB3 TYR 31 HB3 TYR 31 -5.338 4.288 4.073 253 HD1 TYR 31 HD2 TYR 31 -3.484 5.763 1.191 254 HD2 TYR 31 HD1 TYR 31 -5.451 6.571 4.898 255 HE1 TYR 31 HE2 TYR 31 -3.296 8.167 0.766 256 HE2 TYR 31 HE1 TYR 31 -5.244 8.989 4.475 257 HH TYR 31 HH TYR 31 -3.650 10.486 3.068 258 H THR 32 H THR 32 -4.237 3.448 6.178 259 HA THR 32 HA THR 32 -3.631 5.724 7.653 260 HB THR 32 HB THR 32 -3.999 2.903 8.761 261 HG1 THR 32 HG1 THR 32 -5.972 3.192 8.090 262 HG21 THR 32 HG21 THR 32 -4.802 4.011 10.830 263 HG22 THR 32 HG22 THR 32 -4.397 5.585 10.145 264 HG23 THR 32 HG23 THR 32 -3.116 4.428 10.508 265 H GLU 33 H GLU 33 -1.631 2.840 7.218 266 HA GLU 33 HA GLU 33 0.433 3.782 9.048 267 HB2 GLU 33 HB2 GLU 33 0.313 1.327 7.270 268 HB3 GLU 33 HB3 GLU 33 1.589 1.665 8.440 269 HG2 GLU 33 HG2 GLU 33 -1.343 1.155 9.039 270 HG3 GLU 33 HG3 GLU 33 0.008 0.070 9.371 271 H ALA 34 H ALA 34 0.060 3.387 5.528 272 HA ALA 34 HA ALA 34 2.785 4.184 4.937 273 HB1 ALA 34 HB1 ALA 34 1.671 2.519 3.532 274 HB2 ALA 34 HB2 ALA 34 2.113 3.935 2.572 275 HB3 ALA 34 HB3 ALA 34 0.436 3.695 3.077 276 H LYS 35 H LYS 35 0.010 5.980 5.712 277 HA LYS 35 HA LYS 35 0.732 8.322 4.147 278 HB2 LYS 35 HB2 LYS 35 -1.116 9.456 5.185 279 HB3 LYS 35 HB3 LYS 35 -1.652 7.848 4.718 280 HG2 LYS 35 HG2 LYS 35 -1.534 7.090 7.034 281 HG3 LYS 35 HG3 LYS 35 -0.850 8.641 7.537 282 HD2 LYS 35 HD2 LYS 35 -2.938 9.787 6.873 283 HD3 LYS 35 HD3 LYS 35 -3.629 8.250 6.345 284 HE2 LYS 35 HE2 LYS 35 -3.606 7.412 8.635 285 HE3 LYS 35 HE3 LYS 35 -2.767 8.857 9.196 286 HZ1 LYS 35 HZ1 LYS 35 -5.099 8.970 9.699 287 HZ2 LYS 35 HZ2 LYS 35 -5.507 8.749 8.075 288 HZ3 LYS 35 HZ3 LYS 35 -4.711 10.158 8.560 289 H LYS 36 H LYS 36 1.748 6.974 7.112 290 HA LYS 36 HA LYS 36 2.484 9.482 8.424 291 HB2 LYS 36 HB2 LYS 36 2.946 6.593 9.287 292 HB3 LYS 36 HB3 LYS 36 3.163 8.017 10.303 293 HG2 LYS 36 HG2 LYS 36 0.734 8.500 10.118 294 HG3 LYS 36 HG3 LYS 36 0.524 7.048 9.136 295 HD2 LYS 36 HD2 LYS 36 1.431 7.152 12.043 296 HD3 LYS 36 HD3 LYS 36 -0.154 6.639 11.463 297 HE2 LYS 36 HE2 LYS 36 1.018 4.763 10.213 298 HE3 LYS 36 HE3 LYS 36 2.506 5.231 11.034 299 HZ1 LYS 36 HZ1 LYS 36 0.006 4.300 12.328 300 HZ2 LYS 36 HZ2 LYS 36 1.407 4.782 13.147 301 HZ3 LYS 36 HZ3 LYS 36 1.435 3.414 12.154 302 H VAL 37 H VAL 37 3.858 9.079 5.930 303 HA VAL 37 HA VAL 37 6.677 8.758 6.818 304 HB VAL 37 HB VAL 37 6.316 8.539 3.877 305 HG11 VAL 37 HG11 VAL 37 8.421 8.000 5.005 306 HG12 VAL 37 HG12 VAL 37 7.802 6.606 4.120 307 HG13 VAL 37 HG13 VAL 37 7.632 6.682 5.876 308 HG21 VAL 37 HG21 VAL 37 4.204 7.434 4.467 309 HG22 VAL 37 HG22 VAL 37 5.063 6.333 5.543 310 HG23 VAL 37 HG23 VAL 37 5.359 6.275 3.802 311 HA PRO 38 HA PRO 38 6.964 13.136 5.888 312 HB2 PRO 38 HB2 PRO 38 9.682 13.467 5.643 313 HB3 PRO 38 HB3 PRO 38 8.882 13.180 7.194 314 HG2 PRO 38 HG2 PRO 38 10.257 11.194 5.378 315 HG3 PRO 38 HG3 PRO 38 10.438 11.403 7.135 316 HD2 PRO 38 HD2 PRO 38 8.855 9.471 6.113 317 HD3 PRO 38 HD3 PRO 38 8.392 10.336 7.599 318 H TRP 39 H TRP 39 8.174 10.813 3.518 319 HA TRP 39 HA TRP 39 8.365 12.893 1.431 320 HB2 TRP 39 HB2 TRP 39 9.258 11.125 -0.044 321 HB3 TRP 39 HB3 TRP 39 10.172 11.234 1.452 322 HD1 TRP 39 HD1 TRP 39 10.073 9.119 3.116 323 HE1 TRP 39 HE1 TRP 39 9.392 6.672 2.749 324 HE3 TRP 39 HE3 TRP 39 7.585 9.594 -1.346 325 HZ2 TRP 39 HZ2 TRP 39 7.992 5.138 0.862 326 HZ3 TRP 39 HZ3 TRP 39 6.609 7.574 -2.364 327 HH2 TRP 39 HH2 TRP 39 6.809 5.389 -1.283 328 H PHE 40 H PHE 40 5.943 10.980 2.739 329 HA PHE 40 HA PHE 40 4.508 10.231 0.352 330 HB2 PHE 40 HB2 PHE 40 4.330 8.996 2.532 331 HB3 PHE 40 HB3 PHE 40 3.510 10.384 3.231 332 HD1 PHE 40 HD2 PHE 40 3.230 7.732 0.632 333 HD2 PHE 40 HD1 PHE 40 1.125 10.691 2.910 334 HE1 PHE 40 HE2 PHE 40 1.092 6.813 -0.132 335 HE2 PHE 40 HE1 PHE 40 -1.011 9.755 2.122 336 HZ PHE 40 HZ PHE 40 -1.026 7.813 0.613 337 H ASP 41 H ASP 41 2.715 11.197 -0.555 338 HA ASP 41 HA ASP 41 2.012 13.966 0.228 339 HB2 ASP 41 HB2 ASP 41 2.797 13.770 -2.079 340 HB3 ASP 41 HB3 ASP 41 1.672 12.454 -2.402 341 H GLN 42 H GLN 42 0.155 14.137 1.406 342 HA GLN 42 HA GLN 42 -1.672 11.957 1.782 343 HB2 GLN 42 HB2 GLN 42 -1.799 14.866 2.670 344 HB3 GLN 42 HB3 GLN 42 -2.969 13.647 3.164 345 HG2 GLN 42 HG2 GLN 42 -0.003 13.359 3.710 346 HG3 GLN 42 HG3 GLN 42 -1.096 14.201 4.807 347 HE21 GLN 42 HE21 GLN 42 -0.574 12.671 6.427 348 HE22 GLN 42 HE22 GLN 42 -1.234 11.082 6.407 349 H GLN 43 H GLN 43 -1.548 14.362 -0.639 350 HA GLN 43 HA GLN 43 -4.418 14.639 -1.069 351 HB2 GLN 43 HB2 GLN 43 -2.095 15.658 -2.759 352 HB3 GLN 43 HB3 GLN 43 -3.777 16.186 -2.858 353 HG2 GLN 43 HG2 GLN 43 -3.629 17.134 -0.585 354 HG3 GLN 43 HG3 GLN 43 -1.967 16.563 -0.441 355 HE21 GLN 43 HE21 GLN 43 -1.144 18.643 -0.120 356 HE22 GLN 43 HE22 GLN 43 -1.072 19.815 -1.387 357 H ASN 44 H ASN 44 -1.751 13.645 -3.276 358 HA ASN 44 HA ASN 44 -3.619 12.043 -4.897 359 HB2 ASN 44 HB2 ASN 44 -0.709 12.807 -5.433 360 HB3 ASN 44 HB3 ASN 44 -1.770 11.968 -6.562 361 HD21 ASN 44 HD21 ASN 44 -1.056 15.006 -5.039 362 HD22 ASN 44 HD22 ASN 44 -2.027 15.984 -6.077 363 H GLY 45 H GLY 45 -1.512 11.487 -2.326 364 HA2 GLY 45 HA2 GLY 45 -0.157 9.112 -3.101 365 HA3 GLY 45 HA3 GLY 45 -0.404 9.672 -1.458 366 H ARG 46 H ARG 46 -3.398 9.589 -1.814 367 HA ARG 46 HA ARG 46 -4.002 6.927 -1.072 368 HB2 ARG 46 HB2 ARG 46 -5.474 8.742 -0.438 369 HB3 ARG 46 HB3 ARG 46 -5.740 9.192 -2.114 370 HG2 ARG 46 HG2 ARG 46 -7.711 8.101 -1.210 371 HG3 ARG 46 HG3 ARG 46 -7.003 7.114 -2.486 372 HD2 ARG 46 HD2 ARG 46 -5.969 5.656 -0.753 373 HD3 ARG 46 HD3 ARG 46 -6.732 6.641 0.506 374 HE ARG 46 HE ARG 46 -8.592 5.592 -1.428 375 HH11 ARG 46 HH11 ARG 46 -6.959 4.801 1.530 376 HH12 ARG 46 HH12 ARG 46 -8.167 3.664 1.997 377 HH21 ARG 46 HH21 ARG 46 -10.083 4.138 -0.818 378 HH22 ARG 46 HH22 ARG 46 -9.908 3.280 0.670 379 H THR 47 H THR 47 -4.234 8.605 -4.204 380 HA THR 47 HA THR 47 -5.151 6.368 -5.752 381 HB THR 47 HB THR 47 -3.733 8.921 -6.660 382 HG1 THR 47 HG1 THR 47 -6.296 8.900 -7.349 383 HG21 THR 47 HG21 THR 47 -5.317 6.935 -8.341 384 HG22 THR 47 HG22 THR 47 -3.566 7.161 -8.403 385 HG23 THR 47 HG23 THR 47 -4.645 8.465 -8.905 386 H TYR 48 H TYR 48 -1.914 7.724 -4.998 387 HA TYR 48 HA TYR 48 -0.380 6.078 -6.715 388 HB2 TYR 48 HB2 TYR 48 0.399 7.427 -4.098 389 HB3 TYR 48 HB3 TYR 48 1.555 6.620 -5.151 390 HD1 TYR 48 HD1 TYR 48 0.248 7.638 -7.813 391 HD2 TYR 48 HD2 TYR 48 1.457 9.610 -4.217 392 HE1 TYR 48 HE1 TYR 48 0.618 9.714 -9.071 393 HE2 TYR 48 HE2 TYR 48 1.817 11.688 -5.474 394 HH TYR 48 HH TYR 48 0.724 12.128 -8.679 395 H LEU 49 H LEU 49 -1.383 5.557 -3.312 396 HA LEU 49 HA LEU 49 -0.060 3.046 -2.986 397 HB2 LEU 49 HB2 LEU 49 -2.401 4.248 -1.468 398 HB3 LEU 49 HB3 LEU 49 -1.627 2.733 -1.023 399 HG LEU 49 HG LEU 49 -0.350 5.496 -0.978 400 HD11 LEU 49 HD11 LEU 49 -1.892 5.087 0.878 401 HD12 LEU 49 HD12 LEU 49 -0.228 5.157 1.447 402 HD13 LEU 49 HD13 LEU 49 -1.039 3.595 1.287 403 HD21 LEU 49 HD21 LEU 49 0.936 2.819 -0.318 404 HD22 LEU 49 HD22 LEU 49 1.662 4.405 -0.049 405 HD23 LEU 49 HD23 LEU 49 1.332 3.857 -1.690 406 H LYS 50 H LYS 50 -3.446 3.919 -3.785 407 HA LYS 50 HA LYS 50 -4.529 1.342 -4.043 408 HB2 LYS 50 HB2 LYS 50 -5.886 3.391 -3.917 409 HB3 LYS 50 HB3 LYS 50 -5.283 3.933 -5.471 410 HG2 LYS 50 HG2 LYS 50 -6.795 1.325 -5.315 411 HG3 LYS 50 HG3 LYS 50 -7.689 2.841 -5.224 412 HD2 LYS 50 HD2 LYS 50 -6.810 3.530 -7.415 413 HD3 LYS 50 HD3 LYS 50 -5.816 2.076 -7.504 414 HE2 LYS 50 HE2 LYS 50 -7.812 1.836 -8.889 415 HE3 LYS 50 HE3 LYS 50 -7.863 0.691 -7.551 416 HZ1 LYS 50 HZ1 LYS 50 -9.995 1.779 -7.945 417 HZ2 LYS 50 HZ2 LYS 50 -9.300 3.287 -7.630 418 HZ3 LYS 50 HZ3 LYS 50 -9.397 2.127 -6.403 419 H TYR 51 H TYR 51 -2.784 3.319 -6.395 420 HA TYR 51 HA TYR 51 -3.125 1.577 -8.641 421 HB2 TYR 51 HB2 TYR 51 -1.896 4.182 -8.170 422 HB3 TYR 51 HB3 TYR 51 -0.770 3.183 -9.071 423 HD1 TYR 51 HD1 TYR 51 -2.253 1.665 -10.956 424 HD2 TYR 51 HD2 TYR 51 -3.064 5.639 -9.598 425 HE1 TYR 51 HE1 TYR 51 -3.423 2.142 -13.060 426 HE2 TYR 51 HE2 TYR 51 -4.244 6.113 -11.703 427 HH TYR 51 HH TYR 51 -4.272 5.278 -14.029 428 H SER 52 H SER 52 -0.455 2.122 -6.341 429 HA SER 52 HA SER 52 1.395 0.295 -7.455 430 HB2 SER 52 HB2 SER 52 1.132 1.366 -4.620 431 HB3 SER 52 HB3 SER 52 2.479 0.356 -5.153 432 HG SER 52 HG SER 52 1.905 3.001 -5.725 433 H ILE 53 H ILE 53 -1.036 -0.118 -4.895 434 HA ILE 53 HA ILE 53 -0.526 -2.795 -4.215 435 HB ILE 53 HB ILE 53 -3.055 -1.115 -4.008 436 HG12 ILE 53 HG12 ILE 53 -1.068 -2.122 -1.925 437 HG13 ILE 53 HG13 ILE 53 -1.205 -0.469 -2.505 438 HG21 ILE 53 HG21 ILE 53 -3.811 -3.433 -4.237 439 HG22 ILE 53 HG22 ILE 53 -4.051 -2.878 -2.583 440 HG23 ILE 53 HG23 ILE 53 -2.699 -3.945 -2.966 441 HD11 ILE 53 HD11 ILE 53 -2.165 -0.681 -0.310 442 HD12 ILE 53 HD12 ILE 53 -3.235 -1.972 -0.853 443 HD13 ILE 53 HD13 ILE 53 -3.441 -0.333 -1.474 444 H LYS 54 H LYS 54 -2.893 -1.436 -6.548 445 HA LYS 54 HA LYS 54 -3.929 -3.900 -7.476 446 HB2 LYS 54 HB2 LYS 54 -5.085 -1.738 -7.815 447 HB3 LYS 54 HB3 LYS 54 -3.806 -1.214 -8.907 448 HG2 LYS 54 HG2 LYS 54 -4.410 -3.042 -10.473 449 HG3 LYS 54 HG3 LYS 54 -5.701 -3.542 -9.374 450 HD2 LYS 54 HD2 LYS 54 -6.824 -1.365 -9.694 451 HD3 LYS 54 HD3 LYS 54 -5.518 -0.840 -10.765 452 HE2 LYS 54 HE2 LYS 54 -6.099 -2.636 -12.357 453 HE3 LYS 54 HE3 LYS 54 -7.382 -3.190 -11.280 454 HZ1 LYS 54 HZ1 LYS 54 -8.494 -1.075 -11.576 455 HZ2 LYS 54 HZ2 LYS 54 -8.231 -1.823 -13.071 456 HZ3 LYS 54 HZ3 LYS 54 -7.254 -0.531 -12.588 457 H ALA 55 H ALA 55 -1.224 -1.915 -8.577 458 HA ALA 55 HA ALA 55 -0.501 -3.422 -10.880 459 HB1 ALA 55 HB1 ALA 55 1.219 -1.575 -9.194 460 HB2 ALA 55 HB2 ALA 55 0.204 -1.087 -10.553 461 HB3 ALA 55 HB3 ALA 55 1.594 -2.141 -10.827 462 H LEU 56 H LEU 56 0.331 -3.714 -7.446 463 HA LEU 56 HA LEU 56 2.329 -5.758 -7.807 464 HB2 LEU 56 HB2 LEU 56 0.813 -4.813 -5.360 465 HB3 LEU 56 HB3 LEU 56 1.976 -6.127 -5.294 466 HG LEU 56 HG LEU 56 2.623 -3.255 -6.086 467 HD11 LEU 56 HD11 LEU 56 3.824 -3.114 -3.940 468 HD12 LEU 56 HD12 LEU 56 3.251 -4.727 -3.508 469 HD13 LEU 56 HD13 LEU 56 2.099 -3.404 -3.708 470 HD21 LEU 56 HD21 LEU 56 4.511 -5.603 -5.687 471 HD22 LEU 56 HD22 LEU 56 4.982 -3.934 -6.021 472 HD23 LEU 56 HD23 LEU 56 4.096 -4.855 -7.232 473 H VAL 57 H VAL 57 -1.203 -5.810 -7.127 474 HA VAL 57 HA VAL 57 -1.457 -8.652 -6.910 475 HB VAL 57 HB VAL 57 -3.558 -6.622 -7.827 476 HG11 VAL 57 HG11 VAL 57 -3.954 -9.460 -6.793 477 HG12 VAL 57 HG12 VAL 57 -4.200 -8.924 -8.457 478 HG13 VAL 57 HG13 VAL 57 -5.246 -8.317 -7.172 479 HG21 VAL 57 HG21 VAL 57 -3.062 -7.731 -5.033 480 HG22 VAL 57 HG22 VAL 57 -4.379 -6.647 -5.488 481 HG23 VAL 57 HG23 VAL 57 -2.708 -6.087 -5.566 482 H GLN 58 H GLN 58 -1.460 -6.397 -9.609 483 HA GLN 58 HA GLN 58 -2.038 -8.116 -11.785 484 HB2 GLN 58 HB2 GLN 58 -2.172 -5.654 -11.880 485 HB3 GLN 58 HB3 GLN 58 -0.443 -5.526 -11.593 486 HG2 GLN 58 HG2 GLN 58 -0.029 -6.598 -13.799 487 HG3 GLN 58 HG3 GLN 58 -1.770 -6.637 -14.079 488 HE21 GLN 58 HE21 GLN 58 -1.610 -5.269 -15.909 489 HE22 GLN 58 HE22 GLN 58 -1.236 -3.589 -15.777 490 H ASN 59 H ASN 59 1.030 -7.167 -10.220 491 HA ASN 59 HA ASN 59 2.674 -8.963 -11.837 492 HB2 ASN 59 HB2 ASN 59 3.376 -7.171 -9.471 493 HB3 ASN 59 HB3 ASN 59 4.554 -8.109 -10.385 494 HD21 ASN 59 HD21 ASN 59 4.413 -5.232 -10.007 495 HD22 ASN 59 HD22 ASN 59 4.301 -4.542 -11.582 496 H ASP 60 H ASP 60 0.588 -9.578 -9.431 497 HA ASP 60 HA ASP 60 0.101 -11.338 -8.122 498 HB2 ASP 60 HB2 ASP 60 2.523 -12.704 -9.364 499 HB3 ASP 60 HB3 ASP 60 1.234 -13.505 -8.473 500 H THR 61 H THR 61 2.360 -9.333 -7.343 501 HA THR 61 HA THR 61 3.847 -10.586 -5.251 502 HB THR 61 HB THR 61 3.248 -7.623 -5.668 503 HG1 THR 61 HG1 THR 61 4.862 -9.375 -7.017 504 HG21 THR 61 HG21 THR 61 4.127 -8.080 -3.389 505 HG22 THR 61 HG22 THR 61 5.306 -7.206 -4.372 506 HG23 THR 61 HG23 THR 61 5.498 -8.939 -4.094 507 H LEU 62 H LEU 62 0.705 -8.896 -5.364 508 HA LEU 62 HA LEU 62 0.332 -9.393 -2.460 509 HB2 LEU 62 HB2 LEU 62 -0.996 -7.285 -4.198 510 HB3 LEU 62 HB3 LEU 62 -1.451 -7.622 -2.533 511 HG LEU 62 HG LEU 62 1.179 -6.449 -3.509 512 HD11 LEU 62 HD11 LEU 62 -0.687 -4.862 -3.413 513 HD12 LEU 62 HD12 LEU 62 0.525 -4.494 -2.190 514 HD13 LEU 62 HD13 LEU 62 -0.983 -5.287 -1.723 515 HD21 LEU 62 HD21 LEU 62 1.865 -6.324 -1.139 516 HD22 LEU 62 HD22 LEU 62 1.700 -7.986 -1.695 517 HD23 LEU 62 HD23 LEU 62 0.446 -7.270 -0.680 518 H LEU 63 H LEU 63 -1.406 -10.397 -1.722 519 HA LEU 63 HA LEU 63 -3.290 -11.779 -3.501 520 HB2 LEU 63 HB2 LEU 63 -2.570 -12.149 -0.557 521 HB3 LEU 63 HB3 LEU 63 -3.863 -13.037 -1.349 522 HG LEU 63 HG LEU 63 -0.939 -13.194 -2.154 523 HD11 LEU 63 HD11 LEU 63 -2.554 -15.158 -0.507 524 HD12 LEU 63 HD12 LEU 63 -1.218 -14.152 0.062 525 HD13 LEU 63 HD13 LEU 63 -0.918 -15.422 -1.121 526 HD21 LEU 63 HD21 LEU 63 -3.307 -14.877 -3.059 527 HD22 LEU 63 HD22 LEU 63 -1.620 -15.129 -3.518 528 HD23 LEU 63 HD23 LEU 63 -2.458 -13.668 -4.029 529 H GLN 64 H GLN 64 -5.302 -10.907 -3.705 530 HA GLN 64 HA GLN 64 -6.340 -8.983 -1.746 531 HB2 GLN 64 HB2 GLN 64 -6.707 -8.504 -4.162 532 HB3 GLN 64 HB3 GLN 64 -7.652 -9.985 -4.314 533 HG2 GLN 64 HG2 GLN 64 -9.267 -9.068 -2.622 534 HG3 GLN 64 HG3 GLN 64 -8.347 -7.567 -2.605 535 HE21 GLN 64 HE21 GLN 64 -7.897 -7.605 -5.524 536 HE22 GLN 64 HE22 GLN 64 -9.410 -7.175 -6.219 537 H VAL 65 H VAL 65 -7.286 -9.779 0.004 538 HA VAL 65 HA VAL 65 -8.454 -12.482 0.055 539 HB VAL 65 HB VAL 65 -8.162 -10.746 2.518 540 HG11 VAL 65 HG11 VAL 65 -7.685 -12.880 3.650 541 HG12 VAL 65 HG12 VAL 65 -7.786 -13.729 2.107 542 HG13 VAL 65 HG13 VAL 65 -9.218 -12.944 2.775 543 HG21 VAL 65 HG21 VAL 65 -6.008 -10.416 1.397 544 HG22 VAL 65 HG22 VAL 65 -5.802 -12.162 1.221 545 HG23 VAL 65 HG23 VAL 65 -5.805 -11.432 2.827 546 H LYS 66 H LYS 66 -9.647 -9.788 -0.953 547 HA LYS 66 HA LYS 66 -11.645 -8.848 -1.317 548 HB2 LYS 66 HB2 LYS 66 -12.881 -11.159 0.224 549 HB3 LYS 66 HB3 LYS 66 -13.715 -10.080 -0.888 550 HG2 LYS 66 HG2 LYS 66 -11.613 -12.161 -1.578 551 HG3 LYS 66 HG3 LYS 66 -13.332 -12.219 -1.970 552 HD2 LYS 66 HD2 LYS 66 -11.336 -10.193 -3.066 553 HD3 LYS 66 HD3 LYS 66 -11.907 -11.620 -3.928 554 HE2 LYS 66 HE2 LYS 66 -14.212 -10.700 -3.914 555 HE3 LYS 66 HE3 LYS 66 -13.635 -9.276 -3.040 556 HZ1 LYS 66 HZ1 LYS 66 -12.243 -8.720 -4.917 557 HZ2 LYS 66 HZ2 LYS 66 -13.847 -8.886 -5.424 558 HZ3 LYS 66 HZ3 LYS 66 -12.733 -10.112 -5.740 559 H GLY 67 H GLY 67 -13.927 -8.327 0.109 560 HA2 GLY 67 HA2 GLY 67 -12.993 -6.506 2.156 561 HA3 GLY 67 HA3 GLY 67 -14.649 -6.725 1.621 562 H THR 68 H THR 68 -12.124 -8.504 3.423 563 HA THR 68 HA THR 68 -14.119 -9.796 5.158 564 HB THR 68 HB THR 68 -12.356 -11.220 4.151 565 HG1 THR 68 HG1 THR 68 -11.740 -12.248 6.115 566 HG21 THR 68 HG21 THR 68 -10.484 -9.599 4.088 567 HG22 THR 68 HG22 THR 68 -10.019 -11.095 4.900 568 HG23 THR 68 HG23 THR 68 -10.383 -9.653 5.850 569 H GLY 69 H GLY 69 -13.346 -6.883 5.323 570 HA2 GLY 69 HA2 GLY 69 -13.190 -6.735 8.242 571 HA3 GLY 69 HA3 GLY 69 -11.910 -5.907 7.359 572 H ALA 70 H ALA 70 -12.610 -4.312 5.724 573 HA ALA 70 HA ALA 70 -15.348 -3.234 5.957 574 HB1 ALA 70 HB1 ALA 70 -12.846 -1.510 6.210 575 HB2 ALA 70 HB2 ALA 70 -13.974 -1.892 7.511 576 HB3 ALA 70 HB3 ALA 70 -14.511 -0.916 6.146 577 H ASN 71 H ASN 71 -12.272 -2.289 4.390 578 HA ASN 71 HA ASN 71 -13.525 -2.465 1.711 579 HB2 ASN 71 HB2 ASN 71 -12.342 -0.315 2.463 580 HB3 ASN 71 HB3 ASN 71 -10.832 -1.222 2.455 581 HD21 ASN 71 HD21 ASN 71 -10.041 0.247 0.869 582 HD22 ASN 71 HD22 ASN 71 -10.547 0.147 -0.778 583 H GLY 72 H GLY 72 -11.948 -3.324 -0.048 584 HA2 GLY 72 HA2 GLY 72 -11.246 -5.969 0.255 585 HA3 GLY 72 HA3 GLY 72 -10.555 -4.904 -0.961 586 H SER 73 H SER 73 -9.619 -7.059 1.242 587 HA SER 73 HA SER 73 -7.403 -5.579 2.484 588 HB2 SER 73 HB2 SER 73 -7.073 -7.712 3.797 589 HB3 SER 73 HB3 SER 73 -8.661 -6.990 4.012 590 HG SER 73 HG SER 73 -8.422 -9.368 3.546 591 H PHE 74 H PHE 74 -5.258 -6.383 2.404 592 HA PHE 74 HA PHE 74 -4.463 -8.052 0.124 593 HB2 PHE 74 HB2 PHE 74 -3.386 -5.227 0.566 594 HB3 PHE 74 HB3 PHE 74 -2.890 -6.337 -0.707 595 HD1 PHE 74 HD1 PHE 74 -4.615 -7.015 -2.476 596 HD2 PHE 74 HD2 PHE 74 -5.253 -3.762 0.237 597 HE1 PHE 74 HE1 PHE 74 -6.374 -6.121 -3.950 598 HE2 PHE 74 HE2 PHE 74 -7.007 -2.876 -1.247 599 HZ PHE 74 HZ PHE 74 -7.570 -4.055 -3.337 600 H LYS 75 H LYS 75 -2.495 -9.046 0.385 601 HA LYS 75 HA LYS 75 -0.622 -8.355 2.495 602 HB2 LYS 75 HB2 LYS 75 -0.653 -10.604 3.579 603 HB3 LYS 75 HB3 LYS 75 -2.168 -9.736 3.795 604 HG2 LYS 75 HG2 LYS 75 -3.191 -11.088 1.986 605 HG3 LYS 75 HG3 LYS 75 -1.682 -11.989 1.820 606 HD2 LYS 75 HD2 LYS 75 -1.909 -12.777 4.168 607 HD3 LYS 75 HD3 LYS 75 -3.421 -11.877 4.318 608 HE2 LYS 75 HE2 LYS 75 -4.343 -13.293 2.430 609 HE3 LYS 75 HE3 LYS 75 -2.872 -14.265 2.520 610 HZ1 LYS 75 HZ1 LYS 75 -4.869 -13.887 4.683 611 HZ2 LYS 75 HZ2 LYS 75 -3.429 -14.759 4.839 612 HZ3 LYS 75 HZ3 LYS 75 -4.628 -15.290 3.769 613 H LEU 76 H LEU 76 1.281 -10.017 2.447 614 HA LEU 76 HA LEU 76 2.225 -10.069 -0.286 615 HB2 LEU 76 HB2 LEU 76 3.537 -10.984 2.304 616 HB3 LEU 76 HB3 LEU 76 4.358 -10.849 0.752 617 HG LEU 76 HG LEU 76 3.108 -8.493 2.239 618 HD11 LEU 76 HD11 LEU 76 5.382 -7.790 2.793 619 HD12 LEU 76 HD12 LEU 76 6.036 -9.252 2.048 620 HD13 LEU 76 HD13 LEU 76 5.024 -9.370 3.490 621 HD21 LEU 76 HD21 LEU 76 4.316 -7.087 0.621 622 HD22 LEU 76 HD22 LEU 76 3.182 -8.156 -0.197 623 HD23 LEU 76 HD23 LEU 76 4.905 -8.528 -0.213 624 H ASN 77 H ASN 77 2.515 -11.820 -1.620 625 HA ASN 77 HA ASN 77 1.220 -14.304 -1.119 626 HB2 ASN 77 HB2 ASN 77 3.246 -13.569 -3.279 627 HB3 ASN 77 HB3 ASN 77 2.349 -15.087 -3.242 628 HD21 ASN 77 HD21 ASN 77 1.126 -14.779 -5.098 629 HD22 ASN 77 HD22 ASN 77 -0.012 -13.498 -5.282 630 H ARG 78 H ARG 78 4.753 -13.772 -1.650 631 HA ARG 78 HA ARG 78 5.535 -15.205 0.680 632 HB2 ARG 78 HB2 ARG 78 4.817 -17.103 -0.792 633 HB3 ARG 78 HB3 ARG 78 6.041 -16.630 -1.963 634 HG2 ARG 78 HG2 ARG 78 7.825 -17.256 -0.489 635 HG3 ARG 78 HG3 ARG 78 6.722 -17.428 0.881 636 HD2 ARG 78 HD2 ARG 78 6.774 -19.179 -1.607 637 HD3 ARG 78 HD3 ARG 78 7.349 -19.631 0.001 638 HE ARG 78 HE ARG 78 4.920 -19.179 0.695 639 HH11 ARG 78 HH11 ARG 78 5.756 -20.553 -2.358 640 HH12 ARG 78 HH12 ARG 78 4.229 -21.343 -2.523 641 HH21 ARG 78 HH21 ARG 78 2.979 -20.180 0.441 642 HH22 ARG 78 HH22 ARG 78 2.691 -21.138 -0.969 643 H LYS 79 H LYS 79 6.899 -14.736 -2.601 644 HA LYS 79 HA LYS 79 8.594 -12.542 -1.808 645 HB2 LYS 79 HB2 LYS 79 9.844 -14.634 -0.954 646 HB3 LYS 79 HB3 LYS 79 10.040 -15.100 -2.640 647 HG2 LYS 79 HG2 LYS 79 11.242 -12.883 -3.005 648 HG3 LYS 79 HG3 LYS 79 11.191 -12.646 -1.258 649 HD2 LYS 79 HD2 LYS 79 13.370 -13.549 -1.902 650 HD3 LYS 79 HD3 LYS 79 12.493 -14.759 -0.958 651 HE2 LYS 79 HE2 LYS 79 13.607 -15.801 -2.883 652 HE3 LYS 79 HE3 LYS 79 11.858 -15.920 -3.050 653 HZ1 LYS 79 HZ1 LYS 79 12.883 -15.308 -5.123 654 HZ2 LYS 79 HZ2 LYS 79 13.613 -13.955 -4.420 655 HZ3 LYS 79 HZ3 LYS 79 11.928 -14.023 -4.572 656 H LYS 80 H LYS 80 6.568 -12.796 -3.664 657 HA LYS 80 HA LYS 80 7.723 -12.940 -6.349 658 HB2 LYS 80 HB2 LYS 80 5.404 -13.735 -5.819 659 HB3 LYS 80 HB3 LYS 80 4.942 -12.082 -5.455 660 HG2 LYS 80 HG2 LYS 80 4.116 -12.652 -7.634 661 HG3 LYS 80 HG3 LYS 80 5.395 -11.458 -7.822 662 HD2 LYS 80 HD2 LYS 80 6.958 -13.239 -8.515 663 HD3 LYS 80 HD3 LYS 80 5.691 -14.451 -8.285 664 HE2 LYS 80 HE2 LYS 80 4.320 -13.259 -10.031 665 HE3 LYS 80 HE3 LYS 80 5.693 -12.185 -10.317 666 HZ1 LYS 80 HZ1 LYS 80 6.996 -14.137 -10.929 667 HZ2 LYS 80 HZ2 LYS 80 5.644 -13.934 -11.919 668 HZ3 LYS 80 HZ3 LYS 80 5.639 -15.122 -10.715 669 H LEU 81 H LEU 81 8.238 -10.716 -4.092 670 HA LEU 81 HA LEU 81 7.610 -8.183 -5.150 671 HB2 LEU 81 HB2 LEU 81 8.553 -8.835 -2.818 672 HB3 LEU 81 HB3 LEU 81 10.134 -8.818 -3.565 673 HG LEU 81 HG LEU 81 8.274 -6.412 -3.230 674 HD11 LEU 81 HD11 LEU 81 9.929 -5.601 -1.612 675 HD12 LEU 81 HD12 LEU 81 10.892 -7.065 -1.843 676 HD13 LEU 81 HD13 LEU 81 9.282 -7.172 -1.131 677 HD21 LEU 81 HD21 LEU 81 9.612 -6.088 -5.275 678 HD22 LEU 81 HD22 LEU 81 11.093 -6.425 -4.382 679 HD23 LEU 81 HD23 LEU 81 10.142 -4.984 -4.005 680 H GLU 82 H GLU 82 10.846 -9.728 -5.182 681 HA GLU 82 HA GLU 82 12.655 -9.639 -6.491 682 HB2 GLU 82 HB2 GLU 82 10.750 -9.235 -8.824 683 HB3 GLU 82 HB3 GLU 82 12.391 -9.868 -8.905 684 HG2 GLU 82 HG2 GLU 82 10.007 -11.208 -7.584 685 HG3 GLU 82 HG3 GLU 82 10.718 -11.653 -9.134 686 H GLY 83 H GLY 83 10.677 -7.213 -8.285 687 HA2 GLY 83 HA2 GLY 83 12.365 -5.010 -7.274 688 HA3 GLY 83 HA3 GLY 83 12.301 -5.265 -9.013 Start of MODEL 15 1 H1 SER 1 H1 SER 1 10.620 7.926 -20.864 2 H2 SER 1 H2 SER 1 8.997 8.372 -21.012 3 H3 SER 1 H3 SER 1 9.399 6.783 -20.589 4 HA SER 1 HA SER 1 9.950 9.200 -18.964 5 HB2 SER 1 HB2 SER 1 7.548 8.733 -18.954 6 HB3 SER 1 HB3 SER 1 7.837 7.027 -18.620 7 HG SER 1 HG SER 1 7.722 9.142 -16.896 8 H HIS 2 H HIS 2 11.445 8.916 -17.362 9 HA HIS 2 HA HIS 2 11.865 6.206 -16.252 10 HB2 HIS 2 HB2 HIS 2 14.308 6.555 -16.093 11 HB3 HIS 2 HB3 HIS 2 13.755 6.543 -17.758 12 HD1 HIS 2 HD1 HIS 2 14.108 8.670 -19.136 13 HD2 HIS 2 HD2 HIS 2 15.336 9.062 -15.188 14 HE1 HIS 2 HE1 HIS 2 15.489 10.758 -19.070 15 HE2 HIS 2 HE2 HIS 2 16.343 10.890 -16.713 16 H MET 3 H MET 3 10.431 8.753 -15.456 17 HA MET 3 HA MET 3 11.682 9.309 -12.828 18 HB2 MET 3 HB2 MET 3 10.041 11.204 -12.691 19 HB3 MET 3 HB3 MET 3 11.142 11.327 -14.054 20 HG2 MET 3 HG2 MET 3 8.378 10.163 -14.402 21 HG3 MET 3 HG3 MET 3 8.654 11.905 -14.439 22 HE1 MET 3 HE1 MET 3 11.307 12.406 -15.926 23 HE2 MET 3 HE2 MET 3 9.790 13.189 -16.374 24 HE3 MET 3 HE3 MET 3 10.789 12.432 -17.614 25 H GLN 4 H GLN 4 9.849 6.908 -13.790 26 HA GLN 4 HA GLN 4 7.844 6.994 -11.590 27 HB2 GLN 4 HB2 GLN 4 7.959 5.169 -14.035 28 HB3 GLN 4 HB3 GLN 4 6.688 5.177 -12.817 29 HG2 GLN 4 HG2 GLN 4 6.006 7.425 -13.501 30 HG3 GLN 4 HG3 GLN 4 7.329 7.498 -14.661 31 HE21 GLN 4 HE21 GLN 4 7.004 4.770 -15.628 32 HE22 GLN 4 HE22 GLN 4 5.553 4.744 -16.553 33 HA PRO 5 HA PRO 5 11.191 4.019 -10.281 34 HB2 PRO 5 HB2 PRO 5 11.863 5.057 -7.913 35 HB3 PRO 5 HB3 PRO 5 12.224 5.938 -9.405 36 HG2 PRO 5 HG2 PRO 5 10.050 6.426 -7.388 37 HG3 PRO 5 HG3 PRO 5 10.993 7.602 -8.329 38 HD2 PRO 5 HD2 PRO 5 8.386 6.599 -8.963 39 HD3 PRO 5 HD3 PRO 5 9.419 7.598 -10.004 40 H GLY 6 H GLY 6 8.067 3.882 -9.540 41 HA2 GLY 6 HA2 GLY 6 6.775 2.280 -8.475 42 HA3 GLY 6 HA3 GLY 6 8.230 1.587 -7.767 43 H LYS 7 H LYS 7 9.283 3.077 -6.083 44 HA LYS 7 HA LYS 7 9.336 3.818 -3.988 45 HB2 LYS 7 HB2 LYS 7 8.517 6.172 -3.674 46 HB3 LYS 7 HB3 LYS 7 9.522 5.901 -5.087 47 HG2 LYS 7 HG2 LYS 7 7.448 5.873 -6.496 48 HG3 LYS 7 HG3 LYS 7 6.512 6.291 -5.062 49 HD2 LYS 7 HD2 LYS 7 8.706 7.977 -6.336 50 HD3 LYS 7 HD3 LYS 7 6.971 8.281 -6.443 51 HE2 LYS 7 HE2 LYS 7 6.941 8.571 -3.939 52 HE3 LYS 7 HE3 LYS 7 8.699 8.432 -3.947 53 HZ1 LYS 7 HZ1 LYS 7 8.038 10.717 -3.931 54 HZ2 LYS 7 HZ2 LYS 7 7.087 10.511 -5.315 55 HZ3 LYS 7 HZ3 LYS 7 8.769 10.368 -5.413 56 H TYR 8 H TYR 8 5.866 4.619 -4.599 57 HA TYR 8 HA TYR 8 5.048 4.065 -1.928 58 HB2 TYR 8 HB2 TYR 8 3.403 4.373 -4.478 59 HB3 TYR 8 HB3 TYR 8 2.690 4.183 -2.878 60 HD1 TYR 8 HD1 TYR 8 2.833 6.007 -1.206 61 HD2 TYR 8 HD2 TYR 8 4.499 6.498 -5.111 62 HE1 TYR 8 HE1 TYR 8 3.019 8.425 -0.826 63 HE2 TYR 8 HE2 TYR 8 4.683 8.918 -4.719 64 HH TYR 8 HH TYR 8 4.487 10.336 -1.737 65 H SER 9 H SER 9 5.318 2.024 -4.801 66 HA SER 9 HA SER 9 3.774 -0.206 -4.005 67 HB2 SER 9 HB2 SER 9 5.209 -1.501 -5.611 68 HB3 SER 9 HB3 SER 9 4.642 0.024 -6.296 69 HG SER 9 HG SER 9 6.919 -0.440 -6.622 70 H GLN 10 H GLN 10 7.221 0.463 -3.546 71 HA GLN 10 HA GLN 10 7.879 -1.838 -2.010 72 HB2 GLN 10 HB2 GLN 10 9.509 -0.527 -3.318 73 HB3 GLN 10 HB3 GLN 10 9.257 0.868 -2.288 74 HG2 GLN 10 HG2 GLN 10 10.211 -1.613 -0.911 75 HG3 GLN 10 HG3 GLN 10 11.350 -0.869 -2.030 76 HE21 GLN 10 HE21 GLN 10 9.673 -0.505 0.993 77 HE22 GLN 10 HE22 GLN 10 10.546 0.878 1.540 78 H LEU 11 H LEU 11 6.781 1.414 -1.155 79 HA LEU 11 HA LEU 11 6.952 1.325 1.651 80 HB2 LEU 11 HB2 LEU 11 6.547 3.379 0.380 81 HB3 LEU 11 HB3 LEU 11 5.007 2.764 -0.185 82 HG LEU 11 HG LEU 11 4.117 2.882 2.151 83 HD11 LEU 11 HD11 LEU 11 6.772 4.185 2.839 84 HD12 LEU 11 HD12 LEU 11 6.188 2.624 3.422 85 HD13 LEU 11 HD13 LEU 11 5.355 4.102 3.891 86 HD21 LEU 11 HD21 LEU 11 5.235 5.505 1.101 87 HD22 LEU 11 HD22 LEU 11 3.890 5.327 2.229 88 HD23 LEU 11 HD23 LEU 11 3.735 4.733 0.578 89 H VAL 12 H VAL 12 4.338 0.208 -0.532 90 HA VAL 12 HA VAL 12 2.431 -0.593 1.409 91 HB VAL 12 HB VAL 12 2.914 -1.717 -1.397 92 HG11 VAL 12 HG11 VAL 12 0.606 -2.649 -1.275 93 HG12 VAL 12 HG12 VAL 12 0.504 -2.164 0.419 94 HG13 VAL 12 HG13 VAL 12 1.673 -3.388 -0.080 95 HG21 VAL 12 HG21 VAL 12 0.821 0.284 -0.449 96 HG22 VAL 12 HG22 VAL 12 1.047 -0.290 -2.105 97 HG23 VAL 12 HG23 VAL 12 2.289 0.694 -1.334 98 H VAL 13 H VAL 13 5.096 -2.382 -0.129 99 HA VAL 13 HA VAL 13 4.677 -4.930 0.991 100 HB VAL 13 HB VAL 13 7.349 -3.690 0.165 101 HG11 VAL 13 HG11 VAL 13 8.125 -6.030 -0.169 102 HG12 VAL 13 HG12 VAL 13 6.589 -6.631 0.462 103 HG13 VAL 13 HG13 VAL 13 7.683 -5.733 1.513 104 HG21 VAL 13 HG21 VAL 13 6.964 -4.777 -2.038 105 HG22 VAL 13 HG22 VAL 13 5.705 -3.599 -1.675 106 HG23 VAL 13 HG23 VAL 13 5.374 -5.322 -1.494 107 H GLU 14 H GLU 14 6.612 -2.172 2.215 108 HA GLU 14 HA GLU 14 7.539 -3.348 4.620 109 HB2 GLU 14 HB2 GLU 14 6.954 -0.422 4.011 110 HB3 GLU 14 HB3 GLU 14 7.755 -0.982 5.478 111 HG2 GLU 14 HG2 GLU 14 9.549 -1.979 4.012 112 HG3 GLU 14 HG3 GLU 14 8.788 -1.173 2.637 113 H THR 15 H THR 15 4.617 -1.413 3.942 114 HA THR 15 HA THR 15 3.634 -1.048 6.528 115 HB THR 15 HB THR 15 2.172 -1.171 3.864 116 HG1 THR 15 HG1 THR 15 3.263 0.666 3.808 117 HG21 THR 15 HG21 THR 15 0.290 0.016 4.984 118 HG22 THR 15 HG22 THR 15 1.059 -0.277 6.544 119 HG23 THR 15 HG23 THR 15 0.487 -1.634 5.572 120 H ILE 16 H ILE 16 2.689 -3.597 4.185 121 HA ILE 16 HA ILE 16 0.860 -4.972 5.865 122 HB ILE 16 HB ILE 16 2.443 -6.028 3.473 123 HG12 ILE 16 HG12 ILE 16 -0.390 -4.865 3.586 124 HG13 ILE 16 HG13 ILE 16 1.024 -4.028 2.953 125 HG21 ILE 16 HG21 ILE 16 -0.062 -7.196 4.757 126 HG22 ILE 16 HG22 ILE 16 1.555 -7.901 4.808 127 HG23 ILE 16 HG23 ILE 16 0.699 -7.777 3.274 128 HD11 ILE 16 HD11 ILE 16 1.197 -5.702 1.162 129 HD12 ILE 16 HD12 ILE 16 -0.361 -4.878 1.166 130 HD13 ILE 16 HD13 ILE 16 -0.237 -6.518 1.797 131 H ARG 17 H ARG 17 4.334 -5.385 5.302 132 HA ARG 17 HA ARG 17 4.792 -7.702 6.866 133 HB2 ARG 17 HB2 ARG 17 6.384 -6.885 5.188 134 HB3 ARG 17 HB3 ARG 17 6.658 -5.415 6.113 135 HG2 ARG 17 HG2 ARG 17 7.747 -6.703 7.894 136 HG3 ARG 17 HG3 ARG 17 7.382 -8.213 7.055 137 HD2 ARG 17 HD2 ARG 17 8.838 -7.569 5.193 138 HD3 ARG 17 HD3 ARG 17 9.148 -6.002 5.949 139 HE ARG 17 HE ARG 17 10.193 -7.299 7.818 140 HH11 ARG 17 HH11 ARG 17 10.108 -8.715 4.658 141 HH12 ARG 17 HH12 ARG 17 11.521 -9.660 4.941 142 HH21 ARG 17 HH21 ARG 17 11.989 -8.515 8.132 143 HH22 ARG 17 HH22 ARG 17 12.575 -9.544 6.878 144 H ARG 18 H ARG 18 4.745 -4.248 7.737 145 HA ARG 18 HA ARG 18 5.720 -4.440 10.409 146 HB2 ARG 18 HB2 ARG 18 3.959 -2.352 9.052 147 HB3 ARG 18 HB3 ARG 18 4.573 -2.166 10.691 148 HG2 ARG 18 HG2 ARG 18 6.305 -2.433 8.211 149 HG3 ARG 18 HG3 ARG 18 5.878 -0.909 8.991 150 HD2 ARG 18 HD2 ARG 18 6.998 -1.761 11.093 151 HD3 ARG 18 HD3 ARG 18 7.544 -3.162 10.166 152 HE ARG 18 HE ARG 18 9.135 -1.862 9.157 153 HH11 ARG 18 HH11 ARG 18 6.926 0.289 10.765 154 HH12 ARG 18 HH12 ARG 18 7.916 1.674 10.474 155 HH21 ARG 18 HH21 ARG 18 10.376 -0.074 8.839 156 HH22 ARG 18 HH22 ARG 18 9.841 1.466 9.407 157 H LEU 19 H LEU 19 2.452 -4.324 9.049 158 HA LEU 19 HA LEU 19 0.996 -4.517 11.483 159 HB2 LEU 19 HB2 LEU 19 0.198 -5.106 8.606 160 HB3 LEU 19 HB3 LEU 19 -0.941 -5.022 9.947 161 HG LEU 19 HG LEU 19 0.808 -2.696 9.030 162 HD11 LEU 19 HD11 LEU 19 -1.221 -1.694 8.098 163 HD12 LEU 19 HD12 LEU 19 -2.142 -3.144 8.504 164 HD13 LEU 19 HD13 LEU 19 -0.844 -3.226 7.310 165 HD21 LEU 19 HD21 LEU 19 -1.460 -2.767 11.056 166 HD22 LEU 19 HD22 LEU 19 -0.605 -1.320 10.515 167 HD23 LEU 19 HD23 LEU 19 0.257 -2.561 11.417 168 H GLY 20 H GLY 20 2.233 -6.923 9.204 169 HA2 GLY 20 HA2 GLY 20 2.360 -9.213 9.224 170 HA3 GLY 20 HA3 GLY 20 2.306 -9.091 10.975 171 H GLU 21 H GLU 21 -0.186 -8.230 8.586 172 HA GLU 21 HA GLU 21 -2.313 -9.204 10.136 173 HB2 GLU 21 HB2 GLU 21 -2.061 -7.608 7.810 174 HB3 GLU 21 HB3 GLU 21 -3.021 -8.976 7.276 175 HG2 GLU 21 HG2 GLU 21 -3.658 -6.991 9.467 176 HG3 GLU 21 HG3 GLU 21 -4.529 -7.268 7.966 177 H ARG 22 H ARG 22 -3.731 -10.981 9.917 178 HA ARG 22 HA ARG 22 -2.419 -13.427 9.062 179 HB2 ARG 22 HB2 ARG 22 -4.117 -14.592 10.317 180 HB3 ARG 22 HB3 ARG 22 -3.536 -13.233 11.266 181 HG2 ARG 22 HG2 ARG 22 -5.605 -11.955 10.545 182 HG3 ARG 22 HG3 ARG 22 -6.197 -13.453 9.819 183 HD2 ARG 22 HD2 ARG 22 -5.722 -12.837 12.748 184 HD3 ARG 22 HD3 ARG 22 -7.218 -13.359 11.968 185 HE ARG 22 HE ARG 22 -4.857 -15.059 12.520 186 HH11 ARG 22 HH11 ARG 22 -8.219 -14.881 11.773 187 HH12 ARG 22 HH12 ARG 22 -8.485 -16.546 12.140 188 HH21 ARG 22 HH21 ARG 22 -5.222 -17.164 12.979 189 HH22 ARG 22 HH22 ARG 22 -6.813 -17.821 12.807 190 H ASN 23 H ASN 23 -5.282 -11.557 8.029 191 HA ASN 23 HA ASN 23 -5.641 -13.459 5.765 192 HB2 ASN 23 HB2 ASN 23 -7.945 -12.893 5.605 193 HB3 ASN 23 HB3 ASN 23 -7.646 -13.115 7.327 194 HD21 ASN 23 HD21 ASN 23 -7.594 -11.239 8.660 195 HD22 ASN 23 HD22 ASN 23 -8.336 -9.770 8.166 196 H GLY 24 H GLY 24 -5.200 -10.051 6.627 197 HA2 GLY 24 HA2 GLY 24 -3.779 -9.066 4.612 198 HA3 GLY 24 HA3 GLY 24 -5.345 -9.170 3.824 199 H SER 25 H SER 25 -3.854 -6.785 4.255 200 HA SER 25 HA SER 25 -5.350 -5.246 6.285 201 HB2 SER 25 HB2 SER 25 -2.832 -4.531 4.702 202 HB3 SER 25 HB3 SER 25 -3.560 -3.543 5.970 203 HG SER 25 HG SER 25 -3.243 -5.777 7.149 204 H SER 26 H SER 26 -7.015 -3.951 5.561 205 HA SER 26 HA SER 26 -7.759 -3.666 2.839 206 HB2 SER 26 HB2 SER 26 -9.470 -2.085 3.634 207 HB3 SER 26 HB3 SER 26 -9.373 -3.466 4.724 208 HG SER 26 HG SER 26 -9.467 -1.481 5.850 209 H LEU 27 H LEU 27 -8.072 -1.495 1.686 210 HA LEU 27 HA LEU 27 -5.622 -0.198 1.209 211 HB2 LEU 27 HB2 LEU 27 -7.482 -0.299 -0.426 212 HB3 LEU 27 HB3 LEU 27 -8.432 0.780 0.579 213 HG LEU 27 HG LEU 27 -6.774 2.610 0.172 214 HD11 LEU 27 HD11 LEU 27 -5.423 0.662 -1.723 215 HD12 LEU 27 HD12 LEU 27 -4.756 1.291 -0.213 216 HD13 LEU 27 HD13 LEU 27 -5.050 2.382 -1.563 217 HD21 LEU 27 HD21 LEU 27 -8.770 2.453 -1.254 218 HD22 LEU 27 HD22 LEU 27 -7.900 1.407 -2.381 219 HD23 LEU 27 HD23 LEU 27 -7.393 3.082 -2.156 220 H ALA 28 H ALA 28 -8.257 0.667 3.391 221 HA ALA 28 HA ALA 28 -7.282 3.241 4.203 222 HB1 ALA 28 HB1 ALA 28 -8.940 3.068 6.015 223 HB2 ALA 28 HB2 ALA 28 -9.202 1.363 5.628 224 HB3 ALA 28 HB3 ALA 28 -9.645 2.611 4.461 225 H LYS 29 H LYS 29 -6.964 -0.067 5.504 226 HA LYS 29 HA LYS 29 -5.573 0.522 7.895 227 HB2 LYS 29 HB2 LYS 29 -6.790 -1.605 7.393 228 HB3 LYS 29 HB3 LYS 29 -5.570 -2.016 6.197 229 HG2 LYS 29 HG2 LYS 29 -5.191 -3.284 8.226 230 HG3 LYS 29 HG3 LYS 29 -3.865 -2.141 7.992 231 HD2 LYS 29 HD2 LYS 29 -4.847 -0.628 9.666 232 HD3 LYS 29 HD3 LYS 29 -6.225 -1.717 9.870 233 HE2 LYS 29 HE2 LYS 29 -4.739 -3.459 10.756 234 HE3 LYS 29 HE3 LYS 29 -3.332 -2.430 10.474 235 HZ1 LYS 29 HZ1 LYS 29 -4.010 -2.365 12.761 236 HZ2 LYS 29 HZ2 LYS 29 -5.563 -1.859 12.335 237 HZ3 LYS 29 HZ3 LYS 29 -4.238 -0.845 12.055 238 H ILE 30 H ILE 30 -4.464 -0.233 4.622 239 HA ILE 30 HA ILE 30 -1.661 -0.241 5.135 240 HB ILE 30 HB ILE 30 -3.233 0.032 2.531 241 HG12 ILE 30 HG12 ILE 30 -1.664 -2.308 3.720 242 HG13 ILE 30 HG13 ILE 30 -3.418 -2.166 3.692 243 HG21 ILE 30 HG21 ILE 30 -1.113 -0.402 1.292 244 HG22 ILE 30 HG22 ILE 30 -0.212 -0.264 2.803 245 HG23 ILE 30 HG23 ILE 30 -1.069 1.136 2.156 246 HD11 ILE 30 HD11 ILE 30 -3.379 -2.320 1.245 247 HD12 ILE 30 HD12 ILE 30 -2.627 -3.717 2.011 248 HD13 ILE 30 HD13 ILE 30 -1.619 -2.467 1.283 249 H TYR 31 H TYR 31 -3.954 2.226 3.975 250 HA TYR 31 HA TYR 31 -2.222 4.343 3.447 251 HB2 TYR 31 HB2 TYR 31 -4.656 4.333 2.887 252 HB3 TYR 31 HB3 TYR 31 -5.047 4.513 4.592 253 HD1 TYR 31 HD2 TYR 31 -3.561 6.222 1.646 254 HD2 TYR 31 HD1 TYR 31 -4.929 6.721 5.667 255 HE1 TYR 31 HE2 TYR 31 -3.448 8.655 1.382 256 HE2 TYR 31 HE1 TYR 31 -4.791 9.162 5.407 257 HH TYR 31 HH TYR 31 -4.342 10.682 2.384 258 H THR 32 H THR 32 -3.763 3.431 6.512 259 HA THR 32 HA THR 32 -3.122 5.595 8.133 260 HB THR 32 HB THR 32 -3.350 2.686 9.035 261 HG1 THR 32 HG1 THR 32 -5.296 2.934 8.233 262 HG21 THR 32 HG21 THR 32 -3.921 5.261 10.559 263 HG22 THR 32 HG22 THR 32 -2.559 4.177 10.852 264 HG23 THR 32 HG23 THR 32 -4.207 3.626 11.158 265 H GLU 33 H GLU 33 -1.049 2.808 7.348 266 HA GLU 33 HA GLU 33 1.081 3.719 9.164 267 HB2 GLU 33 HB2 GLU 33 1.033 1.300 7.322 268 HB3 GLU 33 HB3 GLU 33 2.223 1.635 8.579 269 HG2 GLU 33 HG2 GLU 33 -0.715 1.002 8.980 270 HG3 GLU 33 HG3 GLU 33 0.646 -0.061 9.323 271 H ALA 34 H ALA 34 0.377 3.541 5.719 272 HA ALA 34 HA ALA 34 3.019 4.051 4.754 273 HB1 ALA 34 HB1 ALA 34 1.332 2.915 3.384 274 HB2 ALA 34 HB2 ALA 34 1.923 4.361 2.566 275 HB3 ALA 34 HB3 ALA 34 0.344 4.378 3.356 276 H LYS 35 H LYS 35 0.397 6.148 5.785 277 HA LYS 35 HA LYS 35 1.244 8.547 4.469 278 HB2 LYS 35 HB2 LYS 35 -0.414 9.685 5.915 279 HB3 LYS 35 HB3 LYS 35 -1.076 8.256 5.132 280 HG2 LYS 35 HG2 LYS 35 -0.728 6.977 7.253 281 HG3 LYS 35 HG3 LYS 35 -0.175 8.461 8.027 282 HD2 LYS 35 HD2 LYS 35 -2.942 8.117 6.798 283 HD3 LYS 35 HD3 LYS 35 -2.584 7.816 8.497 284 HE2 LYS 35 HE2 LYS 35 -3.533 10.007 8.364 285 HE3 LYS 35 HE3 LYS 35 -1.812 10.225 8.661 286 HZ1 LYS 35 HZ1 LYS 35 -1.486 10.807 6.378 287 HZ2 LYS 35 HZ2 LYS 35 -2.755 11.738 6.987 288 HZ3 LYS 35 HZ3 LYS 35 -3.087 10.422 5.987 289 H LYS 36 H LYS 36 2.592 6.972 7.157 290 HA LYS 36 HA LYS 36 3.282 9.148 8.842 291 HB2 LYS 36 HB2 LYS 36 4.613 6.432 8.528 292 HB3 LYS 36 HB3 LYS 36 4.923 7.555 9.853 293 HG2 LYS 36 HG2 LYS 36 2.579 7.366 10.586 294 HG3 LYS 36 HG3 LYS 36 2.233 6.276 9.235 295 HD2 LYS 36 HD2 LYS 36 3.848 4.631 10.158 296 HD3 LYS 36 HD3 LYS 36 4.188 5.724 11.506 297 HE2 LYS 36 HE2 LYS 36 1.491 4.464 10.893 298 HE3 LYS 36 HE3 LYS 36 2.612 3.933 12.146 299 HZ1 LYS 36 HZ1 LYS 36 2.376 6.099 13.211 300 HZ2 LYS 36 HZ2 LYS 36 0.888 5.309 13.071 301 HZ3 LYS 36 HZ3 LYS 36 1.269 6.576 12.023 302 H VAL 37 H VAL 37 4.913 7.844 5.982 303 HA VAL 37 HA VAL 37 7.417 9.147 6.388 304 HB VAL 37 HB VAL 37 7.616 8.851 3.742 305 HG11 VAL 37 HG11 VAL 37 8.375 6.549 4.039 306 HG12 VAL 37 HG12 VAL 37 7.596 6.483 5.626 307 HG13 VAL 37 HG13 VAL 37 8.930 7.605 5.336 308 HG21 VAL 37 HG21 VAL 37 6.278 6.996 2.848 309 HG22 VAL 37 HG22 VAL 37 5.264 8.361 3.303 310 HG23 VAL 37 HG23 VAL 37 5.335 6.942 4.342 311 HA PRO 38 HA PRO 38 6.450 13.365 5.207 312 HB2 PRO 38 HB2 PRO 38 8.980 14.295 4.681 313 HB3 PRO 38 HB3 PRO 38 8.407 13.962 6.322 314 HG2 PRO 38 HG2 PRO 38 10.064 12.197 4.509 315 HG3 PRO 38 HG3 PRO 38 10.337 12.603 6.218 316 HD2 PRO 38 HD2 PRO 38 9.176 10.270 5.497 317 HD3 PRO 38 HD3 PRO 38 8.666 11.134 6.967 318 H TRP 39 H TRP 39 8.101 11.148 2.982 319 HA TRP 39 HA TRP 39 7.797 12.949 0.684 320 HB2 TRP 39 HB2 TRP 39 8.759 11.100 -0.668 321 HB3 TRP 39 HB3 TRP 39 9.778 11.545 0.689 322 HD1 TRP 39 HD1 TRP 39 10.194 9.697 2.572 323 HE1 TRP 39 HE1 TRP 39 9.820 7.161 2.622 324 HE3 TRP 39 HE3 TRP 39 7.130 9.224 -1.502 325 HZ2 TRP 39 HZ2 TRP 39 8.417 5.212 1.161 326 HZ3 TRP 39 HZ3 TRP 39 6.320 6.980 -2.114 327 HH2 TRP 39 HH2 TRP 39 6.955 5.011 -0.810 328 H PHE 40 H PHE 40 5.823 10.622 2.280 329 HA PHE 40 HA PHE 40 4.065 9.879 0.184 330 HB2 PHE 40 HB2 PHE 40 4.127 8.948 2.550 331 HB3 PHE 40 HB3 PHE 40 3.281 10.390 3.092 332 HD1 PHE 40 HD1 PHE 40 0.877 10.721 2.481 333 HD2 PHE 40 HD2 PHE 40 3.003 7.210 1.308 334 HE1 PHE 40 HE1 PHE 40 -1.249 9.592 1.986 335 HE2 PHE 40 HE2 PHE 40 0.873 6.092 0.814 336 HZ PHE 40 HZ PHE 40 -1.254 7.279 1.152 337 H ASP 41 H ASP 41 2.507 10.986 -0.909 338 HA ASP 41 HA ASP 41 1.941 13.790 -0.280 339 HB2 ASP 41 HB2 ASP 41 2.316 12.913 -2.668 340 HB3 ASP 41 HB3 ASP 41 0.750 12.115 -2.544 341 H GLN 42 H GLN 42 0.264 14.291 1.093 342 HA GLN 42 HA GLN 42 -1.369 12.176 2.184 343 HB2 GLN 42 HB2 GLN 42 -1.337 15.147 2.841 344 HB3 GLN 42 HB3 GLN 42 -2.151 13.899 3.786 345 HG2 GLN 42 HG2 GLN 42 0.843 14.138 3.328 346 HG3 GLN 42 HG3 GLN 42 -0.022 14.505 4.822 347 HE21 GLN 42 HE21 GLN 42 2.124 12.532 4.234 348 HE22 GLN 42 HE22 GLN 42 1.510 11.022 4.780 349 H GLN 43 H GLN 43 -1.889 14.019 -0.531 350 HA GLN 43 HA GLN 43 -4.846 13.848 -0.325 351 HB2 GLN 43 HB2 GLN 43 -3.117 15.393 -2.313 352 HB3 GLN 43 HB3 GLN 43 -4.879 15.401 -2.266 353 HG2 GLN 43 HG2 GLN 43 -4.816 16.460 -0.034 354 HG3 GLN 43 HG3 GLN 43 -3.052 16.447 -0.079 355 HE21 GLN 43 HE21 GLN 43 -5.938 17.925 -1.396 356 HE22 GLN 43 HE22 GLN 43 -5.148 19.277 -2.118 357 H ASN 44 H ASN 44 -2.454 13.578 -2.968 358 HA ASN 44 HA ASN 44 -4.062 11.700 -4.465 359 HB2 ASN 44 HB2 ASN 44 -1.237 12.695 -5.058 360 HB3 ASN 44 HB3 ASN 44 -2.354 11.945 -6.199 361 HD21 ASN 44 HD21 ASN 44 -1.573 14.845 -4.445 362 HD22 ASN 44 HD22 ASN 44 -2.644 15.890 -5.310 363 H GLY 45 H GLY 45 -1.648 11.347 -2.061 364 HA2 GLY 45 HA2 GLY 45 -0.225 9.048 -2.852 365 HA3 GLY 45 HA3 GLY 45 -0.477 9.579 -1.202 366 H ARG 46 H ARG 46 -3.437 9.333 -1.457 367 HA ARG 46 HA ARG 46 -3.898 6.647 -0.717 368 HB2 ARG 46 HB2 ARG 46 -5.400 8.545 -0.137 369 HB3 ARG 46 HB3 ARG 46 -5.871 8.693 -1.824 370 HG2 ARG 46 HG2 ARG 46 -7.599 7.543 -0.526 371 HG3 ARG 46 HG3 ARG 46 -6.911 6.469 -1.741 372 HD2 ARG 46 HD2 ARG 46 -5.577 5.327 -0.063 373 HD3 ARG 46 HD3 ARG 46 -6.071 6.490 1.172 374 HE ARG 46 HE ARG 46 -7.901 4.556 -0.120 375 HH11 ARG 46 HH11 ARG 46 -7.012 6.412 2.663 376 HH12 ARG 46 HH12 ARG 46 -8.151 5.607 3.681 377 HH21 ARG 46 HH21 ARG 46 -9.333 3.553 1.211 378 HH22 ARG 46 HH22 ARG 46 -9.457 4.029 2.864 379 H THR 47 H THR 47 -4.361 8.336 -3.811 380 HA THR 47 HA THR 47 -5.250 6.100 -5.363 381 HB THR 47 HB THR 47 -4.004 8.741 -6.276 382 HG1 THR 47 HG1 THR 47 -6.241 9.287 -6.609 383 HG21 THR 47 HG21 THR 47 -5.660 6.745 -7.878 384 HG22 THR 47 HG22 THR 47 -3.937 7.058 -8.097 385 HG23 THR 47 HG23 THR 47 -5.115 8.323 -8.448 386 H TYR 48 H TYR 48 -2.049 7.561 -4.733 387 HA TYR 48 HA TYR 48 -0.515 6.031 -6.551 388 HB2 TYR 48 HB2 TYR 48 0.346 7.237 -3.887 389 HB3 TYR 48 HB3 TYR 48 1.451 6.603 -5.099 390 HD1 TYR 48 HD1 TYR 48 -0.323 7.892 -7.476 391 HD2 TYR 48 HD2 TYR 48 1.493 9.406 -3.913 392 HE1 TYR 48 HE1 TYR 48 -0.151 10.123 -8.492 393 HE2 TYR 48 HE2 TYR 48 1.657 11.627 -4.933 394 HH TYR 48 HH TYR 48 1.724 12.628 -7.135 395 H LEU 49 H LEU 49 -1.456 5.366 -3.163 396 HA LEU 49 HA LEU 49 -0.164 2.844 -2.905 397 HB2 LEU 49 HB2 LEU 49 -2.644 3.910 -1.507 398 HB3 LEU 49 HB3 LEU 49 -1.849 2.401 -1.080 399 HG LEU 49 HG LEU 49 -0.673 5.192 -0.806 400 HD11 LEU 49 HD11 LEU 49 -2.373 4.678 0.876 401 HD12 LEU 49 HD12 LEU 49 -0.772 4.753 1.603 402 HD13 LEU 49 HD13 LEU 49 -1.528 3.186 1.304 403 HD21 LEU 49 HD21 LEU 49 0.620 2.517 -0.134 404 HD22 LEU 49 HD22 LEU 49 1.277 4.109 0.260 405 HD23 LEU 49 HD23 LEU 49 1.113 3.621 -1.423 406 H LYS 50 H LYS 50 -3.549 3.697 -3.694 407 HA LYS 50 HA LYS 50 -4.620 1.169 -4.078 408 HB2 LYS 50 HB2 LYS 50 -5.943 3.229 -3.894 409 HB3 LYS 50 HB3 LYS 50 -5.334 3.803 -5.436 410 HG2 LYS 50 HG2 LYS 50 -6.863 1.207 -5.364 411 HG3 LYS 50 HG3 LYS 50 -7.754 2.719 -5.196 412 HD2 LYS 50 HD2 LYS 50 -6.904 3.502 -7.366 413 HD3 LYS 50 HD3 LYS 50 -5.908 2.057 -7.531 414 HE2 LYS 50 HE2 LYS 50 -7.967 1.926 -8.888 415 HE3 LYS 50 HE3 LYS 50 -7.912 0.659 -7.661 416 HZ1 LYS 50 HZ1 LYS 50 -9.428 3.202 -7.422 417 HZ2 LYS 50 HZ2 LYS 50 -9.414 1.936 -6.301 418 HZ3 LYS 50 HZ3 LYS 50 -10.093 1.701 -7.831 419 H TYR 51 H TYR 51 -2.833 3.164 -6.369 420 HA TYR 51 HA TYR 51 -3.234 1.478 -8.669 421 HB2 TYR 51 HB2 TYR 51 -2.129 4.133 -8.163 422 HB3 TYR 51 HB3 TYR 51 -0.973 3.224 -9.123 423 HD1 TYR 51 HD1 TYR 51 -2.086 1.850 -11.134 424 HD2 TYR 51 HD2 TYR 51 -3.762 5.354 -9.354 425 HE1 TYR 51 HE1 TYR 51 -3.358 2.267 -13.179 426 HE2 TYR 51 HE2 TYR 51 -5.050 5.780 -11.403 427 HH TYR 51 HH TYR 51 -5.406 3.463 -13.869 428 H SER 52 H SER 52 -0.532 2.054 -6.407 429 HA SER 52 HA SER 52 1.371 0.380 -7.680 430 HB2 SER 52 HB2 SER 52 2.652 0.506 -5.579 431 HB3 SER 52 HB3 SER 52 2.041 2.093 -6.034 432 HG SER 52 HG SER 52 0.898 2.139 -4.279 433 H ILE 53 H ILE 53 -0.780 -0.227 -4.931 434 HA ILE 53 HA ILE 53 -0.358 -2.914 -4.408 435 HB ILE 53 HB ILE 53 -2.926 -1.273 -4.259 436 HG12 ILE 53 HG12 ILE 53 -0.966 -2.134 -2.079 437 HG13 ILE 53 HG13 ILE 53 -1.078 -0.525 -2.775 438 HG21 ILE 53 HG21 ILE 53 -3.888 -3.014 -2.786 439 HG22 ILE 53 HG22 ILE 53 -2.496 -4.051 -3.099 440 HG23 ILE 53 HG23 ILE 53 -3.594 -3.628 -4.412 441 HD11 ILE 53 HD11 ILE 53 -2.115 -0.612 -0.596 442 HD12 ILE 53 HD12 ILE 53 -3.206 -1.891 -1.128 443 HD13 ILE 53 HD13 ILE 53 -3.324 -0.276 -1.833 444 H LYS 54 H LYS 54 -2.661 -1.469 -6.758 445 HA LYS 54 HA LYS 54 -3.794 -3.894 -7.684 446 HB2 LYS 54 HB2 LYS 54 -4.876 -1.693 -7.922 447 HB3 LYS 54 HB3 LYS 54 -3.623 -1.163 -9.032 448 HG2 LYS 54 HG2 LYS 54 -5.195 -3.610 -9.791 449 HG3 LYS 54 HG3 LYS 54 -6.035 -2.062 -9.851 450 HD2 LYS 54 HD2 LYS 54 -4.319 -1.183 -11.406 451 HD3 LYS 54 HD3 LYS 54 -3.454 -2.721 -11.335 452 HE2 LYS 54 HE2 LYS 54 -5.326 -3.872 -12.391 453 HE3 LYS 54 HE3 LYS 54 -6.300 -2.400 -12.345 454 HZ1 LYS 54 HZ1 LYS 54 -4.758 -1.357 -13.852 455 HZ2 LYS 54 HZ2 LYS 54 -5.334 -2.798 -14.521 456 HZ3 LYS 54 HZ3 LYS 54 -3.779 -2.732 -13.865 457 H ALA 55 H ALA 55 -1.063 -1.972 -8.842 458 HA ALA 55 HA ALA 55 -0.406 -3.542 -11.126 459 HB1 ALA 55 HB1 ALA 55 0.328 -1.207 -10.872 460 HB2 ALA 55 HB2 ALA 55 1.712 -2.282 -11.117 461 HB3 ALA 55 HB3 ALA 55 1.348 -1.669 -9.502 462 H LEU 56 H LEU 56 0.586 -3.720 -7.698 463 HA LEU 56 HA LEU 56 2.502 -5.830 -8.013 464 HB2 LEU 56 HB2 LEU 56 0.965 -4.878 -5.571 465 HB3 LEU 56 HB3 LEU 56 2.185 -6.142 -5.504 466 HG LEU 56 HG LEU 56 2.691 -3.243 -6.303 467 HD11 LEU 56 HD11 LEU 56 3.908 -3.039 -4.185 468 HD12 LEU 56 HD12 LEU 56 3.463 -4.691 -3.750 469 HD13 LEU 56 HD13 LEU 56 2.215 -3.453 -3.910 470 HD21 LEU 56 HD21 LEU 56 4.216 -4.749 -7.498 471 HD22 LEU 56 HD22 LEU 56 4.690 -5.511 -5.978 472 HD23 LEU 56 HD23 LEU 56 5.086 -3.817 -6.281 473 H VAL 57 H VAL 57 -1.009 -5.781 -7.571 474 HA VAL 57 HA VAL 57 -1.363 -8.600 -7.160 475 HB VAL 57 HB VAL 57 -3.322 -6.486 -8.193 476 HG11 VAL 57 HG11 VAL 57 -5.146 -8.104 -7.709 477 HG12 VAL 57 HG12 VAL 57 -3.947 -9.344 -7.335 478 HG13 VAL 57 HG13 VAL 57 -4.070 -8.703 -8.974 479 HG21 VAL 57 HG21 VAL 57 -3.063 -7.757 -5.433 480 HG22 VAL 57 HG22 VAL 57 -4.283 -6.572 -5.910 481 HG23 VAL 57 HG23 VAL 57 -2.582 -6.115 -5.861 482 H GLN 58 H GLN 58 -1.102 -6.522 -10.030 483 HA GLN 58 HA GLN 58 -1.613 -8.462 -12.048 484 HB2 GLN 58 HB2 GLN 58 0.060 -5.918 -12.097 485 HB3 GLN 58 HB3 GLN 58 -0.219 -6.897 -13.531 486 HG2 GLN 58 HG2 GLN 58 -2.364 -5.507 -11.899 487 HG3 GLN 58 HG3 GLN 58 -1.714 -4.947 -13.439 488 HE21 GLN 58 HE21 GLN 58 -2.134 -6.242 -15.334 489 HE22 GLN 58 HE22 GLN 58 -3.522 -7.269 -15.395 490 H ASN 59 H ASN 59 1.370 -7.588 -10.300 491 HA ASN 59 HA ASN 59 2.976 -9.599 -11.709 492 HB2 ASN 59 HB2 ASN 59 3.697 -7.670 -9.461 493 HB3 ASN 59 HB3 ASN 59 4.833 -8.812 -10.177 494 HD21 ASN 59 HD21 ASN 59 3.206 -5.806 -10.584 495 HD22 ASN 59 HD22 ASN 59 3.956 -5.354 -12.066 496 H ASP 60 H ASP 60 0.700 -9.922 -9.432 497 HA ASP 60 HA ASP 60 0.048 -11.521 -7.989 498 HB2 ASP 60 HB2 ASP 60 2.415 -13.110 -9.057 499 HB3 ASP 60 HB3 ASP 60 1.134 -13.775 -8.050 500 H THR 61 H THR 61 2.413 -9.581 -7.329 501 HA THR 61 HA THR 61 3.956 -10.745 -5.258 502 HB THR 61 HB THR 61 3.262 -7.782 -5.616 503 HG1 THR 61 HG1 THR 61 5.127 -9.434 -6.958 504 HG21 THR 61 HG21 THR 61 4.387 -8.280 -3.457 505 HG22 THR 61 HG22 THR 61 5.433 -7.346 -4.527 506 HG23 THR 61 HG23 THR 61 5.702 -9.078 -4.326 507 H LEU 62 H LEU 62 0.907 -8.913 -5.315 508 HA LEU 62 HA LEU 62 0.419 -9.521 -2.449 509 HB2 LEU 62 HB2 LEU 62 -0.902 -7.399 -4.195 510 HB3 LEU 62 HB3 LEU 62 -1.271 -7.705 -2.502 511 HG LEU 62 HG LEU 62 1.324 -6.572 -3.624 512 HD11 LEU 62 HD11 LEU 62 0.736 -4.559 -2.360 513 HD12 LEU 62 HD12 LEU 62 -0.767 -5.311 -1.820 514 HD13 LEU 62 HD13 LEU 62 -0.516 -4.959 -3.532 515 HD21 LEU 62 HD21 LEU 62 2.105 -6.362 -1.291 516 HD22 LEU 62 HD22 LEU 62 1.890 -8.045 -1.760 517 HD23 LEU 62 HD23 LEU 62 0.689 -7.259 -0.732 518 H LEU 63 H LEU 63 -1.575 -10.349 -1.823 519 HA LEU 63 HA LEU 63 -3.226 -11.701 -3.874 520 HB2 LEU 63 HB2 LEU 63 -2.869 -12.242 -0.893 521 HB3 LEU 63 HB3 LEU 63 -4.052 -13.072 -1.897 522 HG LEU 63 HG LEU 63 -1.027 -13.220 -2.255 523 HD11 LEU 63 HD11 LEU 63 -1.222 -15.551 -1.501 524 HD12 LEU 63 HD12 LEU 63 -2.947 -15.321 -1.196 525 HD13 LEU 63 HD13 LEU 63 -1.754 -14.427 -0.251 526 HD21 LEU 63 HD21 LEU 63 -2.172 -13.420 -4.415 527 HD22 LEU 63 HD22 LEU 63 -3.227 -14.680 -3.770 528 HD23 LEU 63 HD23 LEU 63 -1.494 -14.973 -3.933 529 H GLN 64 H GLN 64 -5.254 -10.947 -4.236 530 HA GLN 64 HA GLN 64 -6.415 -8.870 -2.581 531 HB2 GLN 64 HB2 GLN 64 -8.298 -8.871 -4.177 532 HB3 GLN 64 HB3 GLN 64 -6.751 -8.711 -4.998 533 HG2 GLN 64 HG2 GLN 64 -6.855 -11.029 -5.743 534 HG3 GLN 64 HG3 GLN 64 -8.327 -11.298 -4.810 535 HE21 GLN 64 HE21 GLN 64 -6.997 -9.808 -7.684 536 HE22 GLN 64 HE22 GLN 64 -8.513 -9.485 -8.447 537 H VAL 65 H VAL 65 -7.711 -9.194 -0.924 538 HA VAL 65 HA VAL 65 -9.184 -11.739 -0.548 539 HB VAL 65 HB VAL 65 -8.438 -10.124 1.888 540 HG11 VAL 65 HG11 VAL 65 -8.265 -12.330 2.959 541 HG12 VAL 65 HG12 VAL 65 -8.544 -13.117 1.404 542 HG13 VAL 65 HG13 VAL 65 -9.814 -12.132 2.133 543 HG21 VAL 65 HG21 VAL 65 -6.211 -11.133 2.120 544 HG22 VAL 65 HG22 VAL 65 -6.295 -10.091 0.706 545 HG23 VAL 65 HG23 VAL 65 -6.346 -11.845 0.511 546 H LYS 66 H LYS 66 -11.362 -11.525 0.056 547 HA LYS 66 HA LYS 66 -12.544 -8.919 0.595 548 HB2 LYS 66 HB2 LYS 66 -13.969 -8.975 -1.514 549 HB3 LYS 66 HB3 LYS 66 -12.260 -8.633 -1.760 550 HG2 LYS 66 HG2 LYS 66 -11.955 -11.096 -2.342 551 HG3 LYS 66 HG3 LYS 66 -13.716 -11.234 -2.340 552 HD2 LYS 66 HD2 LYS 66 -13.853 -9.560 -4.157 553 HD3 LYS 66 HD3 LYS 66 -12.097 -9.370 -4.128 554 HE2 LYS 66 HE2 LYS 66 -11.877 -11.784 -4.762 555 HE3 LYS 66 HE3 LYS 66 -13.634 -11.879 -4.895 556 HZ1 LYS 66 HZ1 LYS 66 -11.851 -10.129 -6.491 557 HZ2 LYS 66 HZ2 LYS 66 -13.536 -10.186 -6.621 558 HZ3 LYS 66 HZ3 LYS 66 -12.610 -11.539 -7.035 559 H GLY 67 H GLY 67 -13.000 -12.369 0.050 560 HA2 GLY 67 HA2 GLY 67 -15.713 -12.391 1.174 561 HA3 GLY 67 HA3 GLY 67 -14.831 -13.761 0.517 562 H THR 68 H THR 68 -14.437 -11.415 3.193 563 HA THR 68 HA THR 68 -14.338 -13.431 5.277 564 HB THR 68 HB THR 68 -12.049 -13.700 4.334 565 HG1 THR 68 HG1 THR 68 -11.876 -12.349 6.838 566 HG21 THR 68 HG21 THR 68 -11.692 -11.442 3.400 567 HG22 THR 68 HG22 THR 68 -10.379 -11.878 4.493 568 HG23 THR 68 HG23 THR 68 -11.635 -10.763 5.033 569 H GLY 69 H GLY 69 -15.579 -10.723 4.517 570 HA2 GLY 69 HA2 GLY 69 -16.074 -8.664 5.461 571 HA3 GLY 69 HA3 GLY 69 -15.136 -9.113 6.885 572 H ALA 70 H ALA 70 -14.401 -6.828 6.697 573 HA ALA 70 HA ALA 70 -12.647 -5.422 6.587 574 HB1 ALA 70 HB1 ALA 70 -11.143 -7.367 6.626 575 HB2 ALA 70 HB2 ALA 70 -10.475 -6.047 5.665 576 HB3 ALA 70 HB3 ALA 70 -11.193 -7.449 4.865 577 H ASN 71 H ASN 71 -13.689 -6.724 3.463 578 HA ASN 71 HA ASN 71 -14.101 -5.875 1.422 579 HB2 ASN 71 HB2 ASN 71 -15.626 -4.369 2.629 580 HB3 ASN 71 HB3 ASN 71 -14.318 -3.226 2.917 581 HD21 ASN 71 HD21 ASN 71 -15.333 -1.544 1.830 582 HD22 ASN 71 HD22 ASN 71 -15.552 -1.518 0.119 583 H GLY 72 H GLY 72 -12.212 -6.312 0.343 584 HA2 GLY 72 HA2 GLY 72 -10.432 -5.791 -1.011 585 HA3 GLY 72 HA3 GLY 72 -10.676 -4.099 -0.623 586 H SER 73 H SER 73 -9.749 -6.957 1.323 587 HA SER 73 HA SER 73 -7.502 -5.532 2.520 588 HB2 SER 73 HB2 SER 73 -7.233 -7.846 3.721 589 HB3 SER 73 HB3 SER 73 -8.603 -6.837 4.138 590 HG SER 73 HG SER 73 -8.931 -9.180 3.667 591 H PHE 74 H PHE 74 -5.312 -6.224 2.331 592 HA PHE 74 HA PHE 74 -4.595 -7.932 0.034 593 HB2 PHE 74 HB2 PHE 74 -3.571 -5.079 0.455 594 HB3 PHE 74 HB3 PHE 74 -2.986 -6.193 -0.776 595 HD1 PHE 74 HD1 PHE 74 -4.705 -7.058 -2.521 596 HD2 PHE 74 HD2 PHE 74 -5.393 -3.629 -0.045 597 HE1 PHE 74 HE1 PHE 74 -6.420 -6.257 -4.093 598 HE2 PHE 74 HE2 PHE 74 -7.107 -2.836 -1.628 599 HZ PHE 74 HZ PHE 74 -7.621 -4.149 -3.651 600 H LYS 75 H LYS 75 -2.720 -9.053 0.295 601 HA LYS 75 HA LYS 75 -0.914 -8.486 2.564 602 HB2 LYS 75 HB2 LYS 75 -0.947 -10.914 3.243 603 HB3 LYS 75 HB3 LYS 75 -2.462 -10.070 3.547 604 HG2 LYS 75 HG2 LYS 75 -3.527 -11.107 1.657 605 HG3 LYS 75 HG3 LYS 75 -1.998 -11.800 1.095 606 HD2 LYS 75 HD2 LYS 75 -1.913 -13.244 3.102 607 HD3 LYS 75 HD3 LYS 75 -3.415 -12.524 3.695 608 HE2 LYS 75 HE2 LYS 75 -4.604 -13.406 1.702 609 HE3 LYS 75 HE3 LYS 75 -3.104 -14.153 1.149 610 HZ1 LYS 75 HZ1 LYS 75 -4.599 -14.791 3.625 611 HZ2 LYS 75 HZ2 LYS 75 -3.091 -15.444 3.228 612 HZ3 LYS 75 HZ3 LYS 75 -4.435 -15.770 2.255 613 H LEU 76 H LEU 76 1.084 -9.841 2.483 614 HA LEU 76 HA LEU 76 2.255 -9.872 -0.139 615 HB2 LEU 76 HB2 LEU 76 3.319 -10.946 2.511 616 HB3 LEU 76 HB3 LEU 76 4.270 -10.755 1.044 617 HG LEU 76 HG LEU 76 3.000 -8.460 2.611 618 HD11 LEU 76 HD11 LEU 76 5.280 -7.858 3.291 619 HD12 LEU 76 HD12 LEU 76 5.917 -9.292 2.481 620 HD13 LEU 76 HD13 LEU 76 4.843 -9.465 3.872 621 HD21 LEU 76 HD21 LEU 76 4.324 -6.970 1.151 622 HD22 LEU 76 HD22 LEU 76 3.162 -7.916 0.228 623 HD23 LEU 76 HD23 LEU 76 4.868 -8.364 0.212 624 H ASN 77 H ASN 77 2.395 -11.556 -1.543 625 HA ASN 77 HA ASN 77 0.986 -14.013 -1.105 626 HB2 ASN 77 HB2 ASN 77 1.230 -12.800 -3.337 627 HB3 ASN 77 HB3 ASN 77 2.888 -13.381 -3.406 628 HD21 ASN 77 HD21 ASN 77 0.701 -13.912 -5.238 629 HD22 ASN 77 HD22 ASN 77 0.499 -15.623 -5.285 630 H ARG 78 H ARG 78 1.739 -15.859 -0.273 631 HA ARG 78 HA ARG 78 4.586 -16.175 0.388 632 HB2 ARG 78 HB2 ARG 78 3.114 -16.467 2.269 633 HB3 ARG 78 HB3 ARG 78 2.072 -17.571 1.378 634 HG2 ARG 78 HG2 ARG 78 3.785 -19.302 1.405 635 HG3 ARG 78 HG3 ARG 78 4.950 -18.196 2.140 636 HD2 ARG 78 HD2 ARG 78 2.344 -19.022 3.465 637 HD3 ARG 78 HD3 ARG 78 3.884 -19.845 3.728 638 HE ARG 78 HE ARG 78 4.599 -17.392 4.357 639 HH11 ARG 78 HH11 ARG 78 1.612 -18.892 5.224 640 HH12 ARG 78 HH12 ARG 78 1.566 -18.121 6.769 641 HH21 ARG 78 HH21 ARG 78 4.509 -16.432 6.326 642 HH22 ARG 78 HH22 ARG 78 3.176 -16.750 7.376 643 H LYS 79 H LYS 79 5.863 -17.376 -0.882 644 HA LYS 79 HA LYS 79 6.726 -19.007 -2.206 645 HB2 LYS 79 HB2 LYS 79 5.691 -20.407 -0.327 646 HB3 LYS 79 HB3 LYS 79 4.326 -20.711 -1.393 647 HG2 LYS 79 HG2 LYS 79 5.803 -21.866 -2.987 648 HG3 LYS 79 HG3 LYS 79 7.205 -21.491 -1.976 649 HD2 LYS 79 HD2 LYS 79 6.171 -22.826 -0.121 650 HD3 LYS 79 HD3 LYS 79 4.854 -23.270 -1.211 651 HE2 LYS 79 HE2 LYS 79 6.428 -24.439 -2.675 652 HE3 LYS 79 HE3 LYS 79 7.788 -23.912 -1.680 653 HZ1 LYS 79 HZ1 LYS 79 7.208 -26.154 -1.137 654 HZ2 LYS 79 HZ2 LYS 79 5.596 -25.730 -0.859 655 HZ3 LYS 79 HZ3 LYS 79 6.807 -25.162 0.175 656 H LYS 80 H LYS 80 5.166 -17.047 -3.419 657 HA LYS 80 HA LYS 80 3.459 -17.854 -5.494 658 HB2 LYS 80 HB2 LYS 80 4.208 -15.479 -4.617 659 HB3 LYS 80 HB3 LYS 80 5.498 -15.613 -5.795 660 HG2 LYS 80 HG2 LYS 80 2.541 -15.731 -6.491 661 HG3 LYS 80 HG3 LYS 80 3.486 -14.245 -6.489 662 HD2 LYS 80 HD2 LYS 80 3.945 -16.657 -8.282 663 HD3 LYS 80 HD3 LYS 80 3.196 -15.132 -8.759 664 HE2 LYS 80 HE2 LYS 80 5.313 -13.947 -8.370 665 HE3 LYS 80 HE3 LYS 80 6.069 -15.442 -7.812 666 HZ1 LYS 80 HZ1 LYS 80 5.012 -14.939 -10.534 667 HZ2 LYS 80 HZ2 LYS 80 5.696 -16.391 -10.005 668 HZ3 LYS 80 HZ3 LYS 80 6.642 -14.995 -10.089 669 H LEU 81 H LEU 81 6.906 -18.064 -5.135 670 HA LEU 81 HA LEU 81 7.936 -18.502 -7.652 671 HB2 LEU 81 HB2 LEU 81 8.698 -19.744 -4.986 672 HB3 LEU 81 HB3 LEU 81 9.628 -20.011 -6.441 673 HG LEU 81 HG LEU 81 9.927 -17.454 -6.565 674 HD11 LEU 81 HD11 LEU 81 8.174 -16.764 -5.003 675 HD12 LEU 81 HD12 LEU 81 9.753 -16.184 -4.476 676 HD13 LEU 81 HD13 LEU 81 9.014 -17.574 -3.676 677 HD21 LEU 81 HD21 LEU 81 11.223 -18.952 -4.264 678 HD22 LEU 81 HD22 LEU 81 11.835 -17.473 -5.011 679 HD23 LEU 81 HD23 LEU 81 11.752 -18.962 -5.950 680 H GLU 82 H GLU 82 6.345 -20.888 -5.524 681 HA GLU 82 HA GLU 82 6.310 -22.884 -7.733 682 HB2 GLU 82 HB2 GLU 82 6.493 -23.409 -4.734 683 HB3 GLU 82 HB3 GLU 82 6.393 -24.653 -5.983 684 HG2 GLU 82 HG2 GLU 82 8.558 -23.782 -6.924 685 HG3 GLU 82 HG3 GLU 82 8.663 -22.684 -5.547 686 H GLY 83 H GLY 83 4.296 -20.791 -6.268 687 HA2 GLY 83 HA2 GLY 83 1.967 -20.656 -6.383 688 HA3 GLY 83 HA3 GLY 83 1.890 -22.360 -6.799 Start of MODEL 16 1 H1 SER 1 H1 SER 1 18.738 4.360 -16.453 2 H2 SER 1 H2 SER 1 19.842 4.213 -15.183 3 H3 SER 1 H3 SER 1 19.058 5.682 -15.450 4 HA SER 1 HA SER 1 18.133 4.521 -13.561 5 HB2 SER 1 HB2 SER 1 16.227 4.649 -15.937 6 HB3 SER 1 HB3 SER 1 15.775 4.738 -14.231 7 HG SER 1 HG SER 1 16.167 6.784 -14.328 8 H HIS 2 H HIS 2 18.323 2.486 -12.729 9 HA HIS 2 HA HIS 2 17.160 0.185 -14.182 10 HB2 HIS 2 HB2 HIS 2 19.951 0.225 -12.979 11 HB3 HIS 2 HB3 HIS 2 19.115 -1.254 -13.430 12 HD1 HIS 2 HD1 HIS 2 18.471 -1.396 -16.078 13 HD2 HIS 2 HD2 HIS 2 21.406 1.346 -15.009 14 HE1 HIS 2 HE1 HIS 2 19.703 -0.878 -18.201 15 HE2 HIS 2 HE2 HIS 2 21.484 0.764 -17.534 16 H MET 3 H MET 3 16.311 -1.431 -12.913 17 HA MET 3 HA MET 3 15.404 -2.539 -11.154 18 HB2 MET 3 HB2 MET 3 17.825 -1.485 -9.639 19 HB3 MET 3 HB3 MET 3 16.805 -2.821 -9.114 20 HG2 MET 3 HG2 MET 3 18.551 -2.770 -11.590 21 HG3 MET 3 HG3 MET 3 18.880 -3.643 -10.088 22 HE1 MET 3 HE1 MET 3 18.930 -5.057 -12.955 23 HE2 MET 3 HE2 MET 3 18.045 -6.545 -12.613 24 HE3 MET 3 HE3 MET 3 19.221 -5.932 -11.449 25 H GLN 4 H GLN 4 14.556 0.261 -11.531 26 HA GLN 4 HA GLN 4 13.804 1.156 -8.816 27 HB2 GLN 4 HB2 GLN 4 13.616 2.553 -11.515 28 HB3 GLN 4 HB3 GLN 4 13.078 3.254 -9.993 29 HG2 GLN 4 HG2 GLN 4 15.380 3.211 -9.144 30 HG3 GLN 4 HG3 GLN 4 15.935 2.472 -10.647 31 HE21 GLN 4 HE21 GLN 4 16.684 5.051 -9.401 32 HE22 GLN 4 HE22 GLN 4 16.353 6.257 -10.593 33 HA PRO 5 HA PRO 5 9.733 -0.624 -10.107 34 HB2 PRO 5 HB2 PRO 5 9.083 -1.907 -7.870 35 HB3 PRO 5 HB3 PRO 5 10.469 -2.465 -8.821 36 HG2 PRO 5 HG2 PRO 5 10.448 -0.839 -6.278 37 HG3 PRO 5 HG3 PRO 5 11.536 -2.163 -6.747 38 HD2 PRO 5 HD2 PRO 5 12.073 0.616 -7.037 39 HD3 PRO 5 HD3 PRO 5 12.985 -0.707 -7.793 40 H GLY 6 H GLY 6 10.323 2.153 -8.623 41 HA2 GLY 6 HA2 GLY 6 8.957 3.912 -7.952 42 HA3 GLY 6 HA3 GLY 6 7.573 2.830 -7.920 43 H LYS 7 H LYS 7 9.070 4.801 -5.928 44 HA LYS 7 HA LYS 7 9.900 3.189 -3.715 45 HB2 LYS 7 HB2 LYS 7 10.632 5.571 -4.278 46 HB3 LYS 7 HB3 LYS 7 9.096 6.123 -3.622 47 HG2 LYS 7 HG2 LYS 7 9.690 5.270 -1.412 48 HG3 LYS 7 HG3 LYS 7 11.173 4.557 -2.053 49 HD2 LYS 7 HD2 LYS 7 12.013 6.833 -2.611 50 HD3 LYS 7 HD3 LYS 7 10.535 7.538 -1.947 51 HE2 LYS 7 HE2 LYS 7 12.384 7.695 -0.335 52 HE3 LYS 7 HE3 LYS 7 11.115 6.644 0.287 53 HZ1 LYS 7 HZ1 LYS 7 12.443 4.737 -0.412 54 HZ2 LYS 7 HZ2 LYS 7 13.267 5.699 0.696 55 HZ3 LYS 7 HZ3 LYS 7 13.666 5.767 -0.948 56 H TYR 8 H TYR 8 6.772 4.543 -4.665 57 HA TYR 8 HA TYR 8 5.350 4.183 -2.229 58 HB2 TYR 8 HB2 TYR 8 4.433 4.376 -5.113 59 HB3 TYR 8 HB3 TYR 8 3.279 4.010 -3.841 60 HD1 TYR 8 HD1 TYR 8 3.080 5.686 -1.873 61 HD2 TYR 8 HD2 TYR 8 4.992 6.669 -5.570 62 HE1 TYR 8 HE1 TYR 8 2.801 8.078 -1.391 63 HE2 TYR 8 HE2 TYR 8 4.719 9.061 -5.071 64 HH TYR 8 HH TYR 8 4.032 10.262 -2.090 65 H SER 9 H SER 9 6.141 1.883 -4.837 66 HA SER 9 HA SER 9 4.356 -0.189 -4.031 67 HB2 SER 9 HB2 SER 9 5.547 -1.665 -5.522 68 HB3 SER 9 HB3 SER 9 5.534 -0.077 -6.288 69 HG SER 9 HG SER 9 7.630 -0.060 -6.206 70 H GLN 10 H GLN 10 7.746 0.488 -3.232 71 HA GLN 10 HA GLN 10 8.221 -1.763 -1.557 72 HB2 GLN 10 HB2 GLN 10 9.585 0.960 -1.551 73 HB3 GLN 10 HB3 GLN 10 10.205 -0.495 -0.766 74 HG2 GLN 10 HG2 GLN 10 10.343 -1.597 -3.001 75 HG3 GLN 10 HG3 GLN 10 9.801 -0.096 -3.751 76 HE21 GLN 10 HE21 GLN 10 12.091 -0.289 -1.044 77 HE22 GLN 10 HE22 GLN 10 13.447 0.282 -1.945 78 H LEU 11 H LEU 11 6.988 1.497 -0.908 79 HA LEU 11 HA LEU 11 6.824 1.455 1.893 80 HB2 LEU 11 HB2 LEU 11 6.496 3.483 0.563 81 HB3 LEU 11 HB3 LEU 11 5.045 2.816 -0.161 82 HG LEU 11 HG LEU 11 3.911 2.892 2.069 83 HD11 LEU 11 HD11 LEU 11 6.417 4.298 3.048 84 HD12 LEU 11 HD12 LEU 11 5.846 2.703 3.549 85 HD13 LEU 11 HD13 LEU 11 4.900 4.136 3.938 86 HD21 LEU 11 HD21 LEU 11 5.020 5.558 1.131 87 HD22 LEU 11 HD22 LEU 11 3.585 5.327 2.134 88 HD23 LEU 11 HD23 LEU 11 3.605 4.726 0.479 89 H VAL 12 H VAL 12 4.478 0.291 -0.540 90 HA VAL 12 HA VAL 12 2.421 -0.583 1.201 91 HB VAL 12 HB VAL 12 3.204 -1.661 -1.548 92 HG11 VAL 12 HG11 VAL 12 0.907 -2.607 -1.668 93 HG12 VAL 12 HG12 VAL 12 0.623 -2.124 0.004 94 HG13 VAL 12 HG13 VAL 12 1.848 -3.341 -0.364 95 HG21 VAL 12 HG21 VAL 12 2.591 0.738 -1.573 96 HG22 VAL 12 HG22 VAL 12 1.057 0.364 -0.783 97 HG23 VAL 12 HG23 VAL 12 1.379 -0.233 -2.413 98 H VAL 13 H VAL 13 5.272 -2.287 -0.084 99 HA VAL 13 HA VAL 13 4.788 -4.835 1.054 100 HB VAL 13 HB VAL 13 7.442 -3.579 0.217 101 HG11 VAL 13 HG11 VAL 13 8.313 -5.904 0.037 102 HG12 VAL 13 HG12 VAL 13 6.804 -6.522 0.709 103 HG13 VAL 13 HG13 VAL 13 7.860 -5.514 1.699 104 HG21 VAL 13 HG21 VAL 13 5.797 -3.685 -1.628 105 HG22 VAL 13 HG22 VAL 13 5.560 -5.409 -1.333 106 HG23 VAL 13 HG23 VAL 13 7.122 -4.819 -1.907 107 H GLU 14 H GLU 14 6.623 -2.023 2.283 108 HA GLU 14 HA GLU 14 7.508 -3.098 4.758 109 HB2 GLU 14 HB2 GLU 14 6.862 -0.216 3.977 110 HB3 GLU 14 HB3 GLU 14 7.620 -0.668 5.506 111 HG2 GLU 14 HG2 GLU 14 9.550 -1.578 4.308 112 HG3 GLU 14 HG3 GLU 14 8.794 -1.192 2.762 113 H THR 15 H THR 15 4.546 -1.397 3.825 114 HA THR 15 HA THR 15 3.330 -0.981 6.312 115 HB THR 15 HB THR 15 2.201 -1.308 3.512 116 HG1 THR 15 HG1 THR 15 2.603 0.753 3.466 117 HG21 THR 15 HG21 THR 15 0.601 -0.671 6.011 118 HG22 THR 15 HG22 THR 15 0.375 -2.049 4.936 119 HG23 THR 15 HG23 THR 15 0.031 -0.418 4.365 120 H ILE 16 H ILE 16 2.748 -3.654 4.012 121 HA ILE 16 HA ILE 16 0.860 -5.009 5.665 122 HB ILE 16 HB ILE 16 2.413 -6.001 3.235 123 HG12 ILE 16 HG12 ILE 16 -0.426 -4.866 3.441 124 HG13 ILE 16 HG13 ILE 16 0.963 -4.001 2.793 125 HG21 ILE 16 HG21 ILE 16 -0.058 -7.215 4.530 126 HG22 ILE 16 HG22 ILE 16 1.567 -7.903 4.558 127 HG23 ILE 16 HG23 ILE 16 0.700 -7.759 3.033 128 HD11 ILE 16 HD11 ILE 16 1.102 -5.629 0.958 129 HD12 ILE 16 HD12 ILE 16 -0.461 -4.818 1.022 130 HD13 ILE 16 HD13 ILE 16 -0.306 -6.473 1.609 131 H ARG 17 H ARG 17 4.366 -5.319 5.239 132 HA ARG 17 HA ARG 17 4.807 -7.613 6.835 133 HB2 ARG 17 HB2 ARG 17 6.542 -6.658 5.377 134 HB3 ARG 17 HB3 ARG 17 6.607 -5.202 6.366 135 HG2 ARG 17 HG2 ARG 17 7.501 -6.492 8.259 136 HG3 ARG 17 HG3 ARG 17 7.349 -7.988 7.335 137 HD2 ARG 17 HD2 ARG 17 9.009 -7.152 5.704 138 HD3 ARG 17 HD3 ARG 17 9.145 -5.648 6.618 139 HE ARG 17 HE ARG 17 10.254 -6.801 8.354 140 HH11 ARG 17 HH11 ARG 17 9.594 -8.920 5.691 141 HH12 ARG 17 HH12 ARG 17 10.735 -10.097 6.224 142 HH21 ARG 17 HH21 ARG 17 11.700 -8.318 8.992 143 HH22 ARG 17 HH22 ARG 17 11.923 -9.750 8.052 144 H ARG 18 H ARG 18 4.780 -4.133 7.717 145 HA ARG 18 HA ARG 18 5.352 -4.358 10.473 146 HB2 ARG 18 HB2 ARG 18 3.891 -2.209 8.891 147 HB3 ARG 18 HB3 ARG 18 4.224 -2.041 10.615 148 HG2 ARG 18 HG2 ARG 18 6.633 -2.139 10.195 149 HG3 ARG 18 HG3 ARG 18 6.350 -2.407 8.473 150 HD2 ARG 18 HD2 ARG 18 5.475 0.080 9.989 151 HD3 ARG 18 HD3 ARG 18 6.968 -0.045 9.052 152 HE ARG 18 HE ARG 18 4.989 -0.728 7.287 153 HH11 ARG 18 HH11 ARG 18 5.457 2.053 9.279 154 HH12 ARG 18 HH12 ARG 18 4.810 3.128 8.092 155 HH21 ARG 18 HH21 ARG 18 4.167 0.704 5.785 156 HH22 ARG 18 HH22 ARG 18 4.097 2.381 6.170 157 H LEU 19 H LEU 19 2.292 -4.586 8.732 158 HA LEU 19 HA LEU 19 0.639 -4.722 11.109 159 HB2 LEU 19 HB2 LEU 19 0.010 -5.289 8.180 160 HB3 LEU 19 HB3 LEU 19 -1.191 -5.231 9.469 161 HG LEU 19 HG LEU 19 0.539 -2.892 8.551 162 HD11 LEU 19 HD11 LEU 19 -1.514 -1.900 7.684 163 HD12 LEU 19 HD12 LEU 19 -2.439 -3.324 8.166 164 HD13 LEU 19 HD13 LEU 19 -1.199 -3.457 6.914 165 HD21 LEU 19 HD21 LEU 19 -1.620 -2.970 10.690 166 HD22 LEU 19 HD22 LEU 19 -0.828 -1.513 10.086 167 HD23 LEU 19 HD23 LEU 19 0.110 -2.728 10.946 168 H GLY 20 H GLY 20 1.999 -7.033 8.776 169 HA2 GLY 20 HA2 GLY 20 2.165 -9.316 8.708 170 HA3 GLY 20 HA3 GLY 20 2.200 -9.233 10.459 171 H GLU 21 H GLU 21 -0.519 -8.368 8.338 172 HA GLU 21 HA GLU 21 -2.424 -9.571 10.044 173 HB2 GLU 21 HB2 GLU 21 -2.525 -7.632 8.083 174 HB3 GLU 21 HB3 GLU 21 -3.288 -8.966 7.237 175 HG2 GLU 21 HG2 GLU 21 -4.194 -7.633 9.803 176 HG3 GLU 21 HG3 GLU 21 -4.987 -7.601 8.235 177 H ARG 22 H ARG 22 -3.562 -11.463 9.936 178 HA ARG 22 HA ARG 22 -2.374 -13.765 8.842 179 HB2 ARG 22 HB2 ARG 22 -3.727 -13.771 10.893 180 HB3 ARG 22 HB3 ARG 22 -5.171 -13.367 9.969 181 HG2 ARG 22 HG2 ARG 22 -5.068 -15.548 8.827 182 HG3 ARG 22 HG3 ARG 22 -3.582 -15.948 9.697 183 HD2 ARG 22 HD2 ARG 22 -6.312 -15.471 10.946 184 HD3 ARG 22 HD3 ARG 22 -5.534 -17.041 10.719 185 HE ARG 22 HE ARG 22 -3.777 -15.480 12.205 186 HH11 ARG 22 HH11 ARG 22 -6.967 -16.752 12.677 187 HH12 ARG 22 HH12 ARG 22 -6.769 -16.874 14.388 188 HH21 ARG 22 HH21 ARG 22 -3.566 -15.627 14.377 189 HH22 ARG 22 HH22 ARG 22 -4.869 -16.238 15.342 190 H ASN 23 H ASN 23 -5.274 -11.988 7.824 191 HA ASN 23 HA ASN 23 -5.536 -13.634 5.365 192 HB2 ASN 23 HB2 ASN 23 -7.535 -11.700 6.642 193 HB3 ASN 23 HB3 ASN 23 -7.849 -12.739 5.250 194 HD21 ASN 23 HD21 ASN 23 -9.121 -12.594 7.928 195 HD22 ASN 23 HD22 ASN 23 -9.034 -14.198 8.557 196 H GLY 24 H GLY 24 -5.220 -10.280 6.510 197 HA2 GLY 24 HA2 GLY 24 -3.666 -9.024 4.868 198 HA3 GLY 24 HA3 GLY 24 -4.989 -9.280 3.735 199 H SER 25 H SER 25 -4.106 -6.724 4.356 200 HA SER 25 HA SER 25 -6.189 -5.595 6.149 201 HB2 SER 25 HB2 SER 25 -4.613 -3.621 6.334 202 HB3 SER 25 HB3 SER 25 -3.964 -5.126 6.987 203 HG SER 25 HG SER 25 -2.343 -4.553 5.747 204 H SER 26 H SER 26 -7.282 -3.702 5.515 205 HA SER 26 HA SER 26 -7.942 -3.474 2.715 206 HB2 SER 26 HB2 SER 26 -9.574 -1.770 3.488 207 HB3 SER 26 HB3 SER 26 -9.659 -3.215 4.497 208 HG SER 26 HG SER 26 -9.624 -1.509 5.876 209 H LEU 27 H LEU 27 -7.955 -1.357 1.553 210 HA LEU 27 HA LEU 27 -5.434 -0.115 1.408 211 HB2 LEU 27 HB2 LEU 27 -6.986 -0.199 -0.493 212 HB3 LEU 27 HB3 LEU 27 -8.118 0.844 0.349 213 HG LEU 27 HG LEU 27 -6.512 2.738 0.211 214 HD11 LEU 27 HD11 LEU 27 -4.725 0.837 -1.337 215 HD12 LEU 27 HD12 LEU 27 -4.400 1.536 0.254 216 HD13 LEU 27 HD13 LEU 27 -4.479 2.579 -1.162 217 HD21 LEU 27 HD21 LEU 27 -6.661 3.174 -2.190 218 HD22 LEU 27 HD22 LEU 27 -8.159 2.464 -1.592 219 HD23 LEU 27 HD23 LEU 27 -7.015 1.472 -2.499 220 H ALA 28 H ALA 28 -8.298 0.822 3.263 221 HA ALA 28 HA ALA 28 -7.450 3.428 4.089 222 HB1 ALA 28 HB1 ALA 28 -9.207 3.234 5.810 223 HB2 ALA 28 HB2 ALA 28 -9.359 1.506 5.466 224 HB3 ALA 28 HB3 ALA 28 -9.794 2.693 4.235 225 H LYS 29 H LYS 29 -7.070 0.188 5.548 226 HA LYS 29 HA LYS 29 -5.730 1.006 7.944 227 HB2 LYS 29 HB2 LYS 29 -6.920 -1.330 7.138 228 HB3 LYS 29 HB3 LYS 29 -5.249 -1.764 6.837 229 HG2 LYS 29 HG2 LYS 29 -6.461 -0.944 9.498 230 HG3 LYS 29 HG3 LYS 29 -5.972 -2.569 9.021 231 HD2 LYS 29 HD2 LYS 29 -3.597 -1.726 8.874 232 HD3 LYS 29 HD3 LYS 29 -4.152 -0.174 9.511 233 HE2 LYS 29 HE2 LYS 29 -4.336 -2.852 10.941 234 HE3 LYS 29 HE3 LYS 29 -3.172 -1.572 11.285 235 HZ1 LYS 29 HZ1 LYS 29 -4.990 -1.523 12.845 236 HZ2 LYS 29 HZ2 LYS 29 -6.116 -1.381 11.599 237 HZ3 LYS 29 HZ3 LYS 29 -5.023 -0.129 11.893 238 H ILE 30 H ILE 30 -4.666 -0.107 4.774 239 HA ILE 30 HA ILE 30 -1.868 -0.119 5.181 240 HB ILE 30 HB ILE 30 -3.586 0.003 2.672 241 HG12 ILE 30 HG12 ILE 30 -1.840 -2.209 3.850 242 HG13 ILE 30 HG13 ILE 30 -3.589 -2.111 3.998 243 HG21 ILE 30 HG21 ILE 30 -0.546 -0.153 2.709 244 HG22 ILE 30 HG22 ILE 30 -1.522 1.151 2.032 245 HG23 ILE 30 HG23 ILE 30 -1.554 -0.448 1.293 246 HD11 ILE 30 HD11 ILE 30 -2.948 -3.747 2.354 247 HD12 ILE 30 HD12 ILE 30 -2.033 -2.539 1.450 248 HD13 ILE 30 HD13 ILE 30 -3.791 -2.411 1.570 249 H TYR 31 H TYR 31 -4.126 2.402 4.134 250 HA TYR 31 HA TYR 31 -2.305 4.424 3.422 251 HB2 TYR 31 HB2 TYR 31 -4.767 4.506 2.953 252 HB3 TYR 31 HB3 TYR 31 -5.074 4.766 4.666 253 HD1 TYR 31 HD2 TYR 31 -3.655 6.275 1.598 254 HD2 TYR 31 HD1 TYR 31 -4.755 6.989 5.661 255 HE1 TYR 31 HE2 TYR 31 -3.375 8.681 1.245 256 HE2 TYR 31 HE1 TYR 31 -4.457 9.406 5.319 257 HH TYR 31 HH TYR 31 -3.118 10.883 3.757 258 H THR 32 H THR 32 -3.679 3.503 6.576 259 HA THR 32 HA THR 32 -2.776 5.600 8.188 260 HB THR 32 HB THR 32 -2.965 2.682 9.082 261 HG1 THR 32 HG1 THR 32 -5.090 2.893 9.075 262 HG21 THR 32 HG21 THR 32 -3.543 3.648 11.290 263 HG22 THR 32 HG22 THR 32 -3.325 5.277 10.641 264 HG23 THR 32 HG23 THR 32 -1.945 4.182 10.774 265 H GLU 33 H GLU 33 -1.098 2.604 7.285 266 HA GLU 33 HA GLU 33 1.318 3.167 8.760 267 HB2 GLU 33 HB2 GLU 33 0.744 1.154 6.560 268 HB3 GLU 33 HB3 GLU 33 2.195 1.173 7.561 269 HG2 GLU 33 HG2 GLU 33 -0.638 0.735 8.553 270 HG3 GLU 33 HG3 GLU 33 0.558 -0.531 8.273 271 H ALA 34 H ALA 34 0.187 3.729 5.496 272 HA ALA 34 HA ALA 34 2.763 4.246 4.313 273 HB1 ALA 34 HB1 ALA 34 0.898 3.334 3.013 274 HB2 ALA 34 HB2 ALA 34 1.468 4.854 2.320 275 HB3 ALA 34 HB3 ALA 34 -0.024 4.817 3.266 276 H LYS 35 H LYS 35 0.339 6.251 5.905 277 HA LYS 35 HA LYS 35 1.341 8.761 4.835 278 HB2 LYS 35 HB2 LYS 35 -0.364 9.850 6.194 279 HB3 LYS 35 HB3 LYS 35 -1.059 8.478 5.336 280 HG2 LYS 35 HG2 LYS 35 -0.925 7.136 7.433 281 HG3 LYS 35 HG3 LYS 35 -0.298 8.560 8.277 282 HD2 LYS 35 HD2 LYS 35 -2.406 9.779 7.753 283 HD3 LYS 35 HD3 LYS 35 -3.027 8.345 6.930 284 HE2 LYS 35 HE2 LYS 35 -2.884 7.101 9.096 285 HE3 LYS 35 HE3 LYS 35 -2.372 8.594 9.889 286 HZ1 LYS 35 HZ1 LYS 35 -4.959 8.159 8.494 287 HZ2 LYS 35 HZ2 LYS 35 -4.470 9.596 9.240 288 HZ3 LYS 35 HZ3 LYS 35 -4.723 8.212 10.170 289 H LYS 36 H LYS 36 2.675 6.765 7.067 290 HA LYS 36 HA LYS 36 3.526 8.600 9.116 291 HB2 LYS 36 HB2 LYS 36 4.718 5.910 8.317 292 HB3 LYS 36 HB3 LYS 36 5.076 6.794 9.802 293 HG2 LYS 36 HG2 LYS 36 2.691 6.550 10.493 294 HG3 LYS 36 HG3 LYS 36 2.387 5.609 9.024 295 HD2 LYS 36 HD2 LYS 36 4.081 3.926 9.801 296 HD3 LYS 36 HD3 LYS 36 4.285 4.859 11.289 297 HE2 LYS 36 HE2 LYS 36 1.718 3.517 10.368 298 HE3 LYS 36 HE3 LYS 36 2.788 2.943 11.645 299 HZ1 LYS 36 HZ1 LYS 36 1.296 5.506 11.684 300 HZ2 LYS 36 HZ2 LYS 36 2.280 4.908 12.921 301 HZ3 LYS 36 HZ3 LYS 36 0.859 4.100 12.513 302 H VAL 37 H VAL 37 4.846 7.641 5.983 303 HA VAL 37 HA VAL 37 7.498 8.673 6.432 304 HB VAL 37 HB VAL 37 7.589 8.523 3.752 305 HG11 VAL 37 HG11 VAL 37 8.236 6.176 3.911 306 HG12 VAL 37 HG12 VAL 37 7.502 6.059 5.515 307 HG13 VAL 37 HG13 VAL 37 8.890 7.120 5.247 308 HG21 VAL 37 HG21 VAL 37 5.175 8.176 3.444 309 HG22 VAL 37 HG22 VAL 37 5.263 6.674 4.352 310 HG23 VAL 37 HG23 VAL 37 6.113 6.827 2.810 311 HA PRO 38 HA PRO 38 6.812 12.990 5.443 312 HB2 PRO 38 HB2 PRO 38 9.374 13.827 5.113 313 HB3 PRO 38 HB3 PRO 38 8.744 13.343 6.694 314 HG2 PRO 38 HG2 PRO 38 10.395 11.728 4.741 315 HG3 PRO 38 HG3 PRO 38 10.624 11.921 6.494 316 HD2 PRO 38 HD2 PRO 38 9.369 9.747 5.415 317 HD3 PRO 38 HD3 PRO 38 8.935 10.394 7.013 318 H TRP 39 H TRP 39 8.310 10.790 3.128 319 HA TRP 39 HA TRP 39 8.283 12.751 0.945 320 HB2 TRP 39 HB2 TRP 39 9.106 10.897 -0.485 321 HB3 TRP 39 HB3 TRP 39 10.102 11.134 0.942 322 HD1 TRP 39 HD1 TRP 39 10.295 9.094 2.651 323 HE1 TRP 39 HE1 TRP 39 9.584 6.625 2.523 324 HE3 TRP 39 HE3 TRP 39 7.225 9.327 -1.436 325 HZ2 TRP 39 HZ2 TRP 39 7.939 5.004 0.936 326 HZ3 TRP 39 HZ3 TRP 39 6.125 7.267 -2.195 327 HH2 TRP 39 HH2 TRP 39 6.477 5.149 -1.033 328 H PHE 40 H PHE 40 6.070 10.489 2.309 329 HA PHE 40 HA PHE 40 4.364 9.881 0.145 330 HB2 PHE 40 HB2 PHE 40 4.303 8.893 2.465 331 HB3 PHE 40 HB3 PHE 40 3.551 10.365 3.047 332 HD1 PHE 40 HD2 PHE 40 3.113 7.546 0.658 333 HD2 PHE 40 HD1 PHE 40 1.164 10.565 2.973 334 HE1 PHE 40 HE2 PHE 40 0.924 6.567 0.100 335 HE2 PHE 40 HE1 PHE 40 -1.019 9.575 2.419 336 HZ PHE 40 HZ PHE 40 -1.141 7.578 0.981 337 H ASP 41 H ASP 41 2.539 10.880 -0.733 338 HA ASP 41 HA ASP 41 2.076 13.734 -0.115 339 HB2 ASP 41 HB2 ASP 41 2.513 12.990 -2.519 340 HB3 ASP 41 HB3 ASP 41 0.968 12.137 -2.475 341 H GLN 42 H GLN 42 0.339 14.247 1.143 342 HA GLN 42 HA GLN 42 -1.431 12.171 2.122 343 HB2 GLN 42 HB2 GLN 42 -1.235 15.137 2.784 344 HB3 GLN 42 HB3 GLN 42 -2.294 14.007 3.623 345 HG2 GLN 42 HG2 GLN 42 0.715 13.630 3.503 346 HG3 GLN 42 HG3 GLN 42 -0.081 14.576 4.758 347 HE21 GLN 42 HE21 GLN 42 0.703 13.155 6.357 348 HE22 GLN 42 HE22 GLN 42 0.023 11.588 6.597 349 H GLN 43 H GLN 43 -1.716 13.740 -0.706 350 HA GLN 43 HA GLN 43 -4.685 13.957 -0.602 351 HB2 GLN 43 HB2 GLN 43 -2.819 15.394 -2.551 352 HB3 GLN 43 HB3 GLN 43 -4.552 15.658 -2.342 353 HG2 GLN 43 HG2 GLN 43 -4.163 16.639 -0.128 354 HG3 GLN 43 HG3 GLN 43 -2.445 16.267 -0.235 355 HE21 GLN 43 HE21 GLN 43 -1.145 17.481 -1.676 356 HE22 GLN 43 HE22 GLN 43 -1.661 19.017 -2.270 357 H ASN 44 H ASN 44 -2.248 13.714 -3.183 358 HA ASN 44 HA ASN 44 -3.760 11.964 -4.867 359 HB2 ASN 44 HB2 ASN 44 -0.797 12.688 -5.060 360 HB3 ASN 44 HB3 ASN 44 -1.818 12.068 -6.358 361 HD21 ASN 44 HD21 ASN 44 -1.002 14.854 -4.438 362 HD22 ASN 44 HD22 ASN 44 -1.836 16.006 -5.410 363 H GLY 45 H GLY 45 -1.448 11.438 -2.322 364 HA2 GLY 45 HA2 GLY 45 -0.177 9.060 -3.058 365 HA3 GLY 45 HA3 GLY 45 -0.444 9.603 -1.410 366 H ARG 46 H ARG 46 -3.415 9.474 -1.658 367 HA ARG 46 HA ARG 46 -3.909 6.777 -0.906 368 HB2 ARG 46 HB2 ARG 46 -5.341 8.657 -0.165 369 HB3 ARG 46 HB3 ARG 46 -5.883 8.919 -1.817 370 HG2 ARG 46 HG2 ARG 46 -7.604 7.756 -0.544 371 HG3 ARG 46 HG3 ARG 46 -6.976 6.705 -1.809 372 HD2 ARG 46 HD2 ARG 46 -5.606 5.499 -0.164 373 HD3 ARG 46 HD3 ARG 46 -6.155 6.592 1.114 374 HE ARG 46 HE ARG 46 -7.992 4.783 -0.356 375 HH11 ARG 46 HH11 ARG 46 -6.909 6.140 2.635 376 HH12 ARG 46 HH12 ARG 46 -8.081 5.280 3.564 377 HH21 ARG 46 HH21 ARG 46 -9.476 3.699 0.853 378 HH22 ARG 46 HH22 ARG 46 -9.521 3.922 2.565 379 H THR 47 H THR 47 -4.449 8.536 -3.960 380 HA THR 47 HA THR 47 -5.547 6.345 -5.449 381 HB THR 47 HB THR 47 -4.193 8.848 -6.561 382 HG1 THR 47 HG1 THR 47 -5.881 9.884 -5.860 383 HG21 THR 47 HG21 THR 47 -6.274 7.008 -7.814 384 HG22 THR 47 HG22 THR 47 -4.574 7.097 -8.280 385 HG23 THR 47 HG23 THR 47 -5.631 8.485 -8.544 386 H TYR 48 H TYR 48 -2.280 7.633 -4.955 387 HA TYR 48 HA TYR 48 -0.891 5.999 -6.805 388 HB2 TYR 48 HB2 TYR 48 0.090 7.319 -4.242 389 HB3 TYR 48 HB3 TYR 48 1.152 6.521 -5.399 390 HD1 TYR 48 HD1 TYR 48 -0.750 7.722 -7.792 391 HD2 TYR 48 HD2 TYR 48 1.518 9.364 -4.557 392 HE1 TYR 48 HE1 TYR 48 -0.471 9.813 -9.043 393 HE2 TYR 48 HE2 TYR 48 1.791 11.456 -5.812 394 HH TYR 48 HH TYR 48 -0.027 12.221 -8.532 395 H LEU 49 H LEU 49 -1.811 5.453 -3.403 396 HA LEU 49 HA LEU 49 -0.563 2.887 -3.126 397 HB2 LEU 49 HB2 LEU 49 -2.904 4.113 -1.619 398 HB3 LEU 49 HB3 LEU 49 -2.130 2.598 -1.176 399 HG LEU 49 HG LEU 49 -0.791 5.329 -1.141 400 HD11 LEU 49 HD11 LEU 49 -2.503 5.098 0.596 401 HD12 LEU 49 HD12 LEU 49 -0.887 5.139 1.293 402 HD13 LEU 49 HD13 LEU 49 -1.750 3.603 1.164 403 HD21 LEU 49 HD21 LEU 49 0.295 2.634 -0.238 404 HD22 LEU 49 HD22 LEU 49 1.091 4.196 -0.017 405 HD23 LEU 49 HD23 LEU 49 0.839 3.560 -1.641 406 H LYS 50 H LYS 50 -3.850 3.963 -4.004 407 HA LYS 50 HA LYS 50 -5.228 1.564 -4.243 408 HB2 LYS 50 HB2 LYS 50 -6.290 3.772 -4.482 409 HB3 LYS 50 HB3 LYS 50 -5.415 4.060 -5.981 410 HG2 LYS 50 HG2 LYS 50 -6.667 2.088 -6.981 411 HG3 LYS 50 HG3 LYS 50 -7.642 2.047 -5.506 412 HD2 LYS 50 HD2 LYS 50 -7.430 4.390 -7.448 413 HD3 LYS 50 HD3 LYS 50 -8.790 3.270 -7.325 414 HE2 LYS 50 HE2 LYS 50 -7.868 5.151 -5.117 415 HE3 LYS 50 HE3 LYS 50 -9.234 5.436 -6.192 416 HZ1 LYS 50 HZ1 LYS 50 -8.998 3.173 -4.285 417 HZ2 LYS 50 HZ2 LYS 50 -10.303 3.474 -5.306 418 HZ3 LYS 50 HZ3 LYS 50 -9.937 4.559 -4.062 419 H TYR 51 H TYR 51 -3.286 3.228 -6.714 420 HA TYR 51 HA TYR 51 -3.537 1.119 -8.654 421 HB2 TYR 51 HB2 TYR 51 -2.380 3.873 -8.625 422 HB3 TYR 51 HB3 TYR 51 -1.597 2.749 -9.729 423 HD1 TYR 51 HD1 TYR 51 -3.256 1.248 -11.138 424 HD2 TYR 51 HD2 TYR 51 -4.281 5.061 -9.488 425 HE1 TYR 51 HE1 TYR 51 -5.050 1.451 -12.770 426 HE2 TYR 51 HE2 TYR 51 -6.099 5.276 -11.143 427 HH TYR 51 HH TYR 51 -6.692 4.353 -13.383 428 H SER 52 H SER 52 -0.986 2.118 -6.380 429 HA SER 52 HA SER 52 1.100 0.502 -7.392 430 HB2 SER 52 HB2 SER 52 1.579 2.199 -5.706 431 HB3 SER 52 HB3 SER 52 0.588 1.361 -4.514 432 HG SER 52 HG SER 52 2.681 0.791 -4.120 433 H ILE 53 H ILE 53 -1.220 -0.171 -4.788 434 HA ILE 53 HA ILE 53 -0.515 -2.820 -4.211 435 HB ILE 53 HB ILE 53 -3.183 -1.389 -3.881 436 HG12 ILE 53 HG12 ILE 53 -0.952 -1.962 -1.887 437 HG13 ILE 53 HG13 ILE 53 -1.314 -0.393 -2.597 438 HG21 ILE 53 HG21 ILE 53 -3.592 -3.820 -3.896 439 HG22 ILE 53 HG22 ILE 53 -3.841 -3.142 -2.287 440 HG23 ILE 53 HG23 ILE 53 -2.364 -4.041 -2.644 441 HD11 ILE 53 HD11 ILE 53 -2.140 -0.487 -0.357 442 HD12 ILE 53 HD12 ILE 53 -3.044 -1.961 -0.692 443 HD13 ILE 53 HD13 ILE 53 -3.509 -0.444 -1.464 444 H LYS 54 H LYS 54 -3.111 -1.580 -6.389 445 HA LYS 54 HA LYS 54 -4.175 -4.100 -7.113 446 HB2 LYS 54 HB2 LYS 54 -5.378 -1.942 -7.416 447 HB3 LYS 54 HB3 LYS 54 -4.244 -1.487 -8.685 448 HG2 LYS 54 HG2 LYS 54 -5.026 -3.370 -10.073 449 HG3 LYS 54 HG3 LYS 54 -6.143 -3.855 -8.792 450 HD2 LYS 54 HD2 LYS 54 -7.331 -1.680 -9.027 451 HD3 LYS 54 HD3 LYS 54 -6.221 -1.224 -10.327 452 HE2 LYS 54 HE2 LYS 54 -7.032 -3.143 -11.672 453 HE3 LYS 54 HE3 LYS 54 -8.145 -3.583 -10.374 454 HZ1 LYS 54 HZ1 LYS 54 -9.220 -1.428 -10.658 455 HZ2 LYS 54 HZ2 LYS 54 -9.269 -2.346 -12.077 456 HZ3 LYS 54 HZ3 LYS 54 -8.176 -1.064 -11.936 457 H ALA 55 H ALA 55 -1.687 -2.077 -8.627 458 HA ALA 55 HA ALA 55 -1.148 -3.704 -10.892 459 HB1 ALA 55 HB1 ALA 55 -0.510 -1.337 -10.793 460 HB2 ALA 55 HB2 ALA 55 0.905 -2.353 -11.115 461 HB3 ALA 55 HB3 ALA 55 0.643 -1.685 -9.497 462 H LEU 56 H LEU 56 0.235 -3.652 -7.583 463 HA LEU 56 HA LEU 56 2.271 -5.612 -8.049 464 HB2 LEU 56 HB2 LEU 56 0.983 -4.642 -5.476 465 HB3 LEU 56 HB3 LEU 56 2.288 -5.817 -5.501 466 HG LEU 56 HG LEU 56 2.478 -2.939 -6.475 467 HD11 LEU 56 HD11 LEU 56 3.955 -2.582 -4.539 468 HD12 LEU 56 HD12 LEU 56 3.654 -4.235 -3.995 469 HD13 LEU 56 HD13 LEU 56 2.332 -3.065 -4.045 470 HD21 LEU 56 HD21 LEU 56 3.932 -4.387 -7.818 471 HD22 LEU 56 HD22 LEU 56 4.664 -5.045 -6.353 472 HD23 LEU 56 HD23 LEU 56 4.887 -3.344 -6.763 473 H VAL 57 H VAL 57 -1.129 -5.877 -7.009 474 HA VAL 57 HA VAL 57 -1.141 -8.667 -6.401 475 HB VAL 57 HB VAL 57 -3.438 -6.873 -7.332 476 HG11 VAL 57 HG11 VAL 57 -3.596 -9.659 -6.107 477 HG12 VAL 57 HG12 VAL 57 -3.996 -9.238 -7.774 478 HG13 VAL 57 HG13 VAL 57 -4.975 -8.611 -6.448 479 HG21 VAL 57 HG21 VAL 57 -2.685 -7.771 -4.519 480 HG22 VAL 57 HG22 VAL 57 -4.088 -6.784 -4.941 481 HG23 VAL 57 HG23 VAL 57 -2.458 -6.150 -5.176 482 H GLN 58 H GLN 58 -1.731 -6.804 -9.355 483 HA GLN 58 HA GLN 58 -2.300 -8.895 -11.163 484 HB2 GLN 58 HB2 GLN 58 -2.815 -6.492 -11.532 485 HB3 GLN 58 HB3 GLN 58 -1.103 -6.125 -11.628 486 HG2 GLN 58 HG2 GLN 58 -2.181 -8.113 -13.592 487 HG3 GLN 58 HG3 GLN 58 -2.671 -6.436 -13.795 488 HE21 GLN 58 HE21 GLN 58 0.004 -8.677 -14.009 489 HE22 GLN 58 HE22 GLN 58 1.100 -7.588 -14.777 490 H ASN 59 H ASN 59 0.763 -7.479 -10.059 491 HA ASN 59 HA ASN 59 2.433 -9.107 -11.825 492 HB2 ASN 59 HB2 ASN 59 3.195 -7.197 -9.569 493 HB3 ASN 59 HB3 ASN 59 4.333 -7.954 -10.685 494 HD21 ASN 59 HD21 ASN 59 3.753 -5.118 -10.196 495 HD22 ASN 59 HD22 ASN 59 3.313 -4.452 -11.723 496 H ASP 60 H ASP 60 0.752 -9.907 -9.155 497 HA ASP 60 HA ASP 60 0.728 -11.572 -7.644 498 HB2 ASP 60 HB2 ASP 60 3.097 -12.733 -9.164 499 HB3 ASP 60 HB3 ASP 60 2.079 -13.606 -8.017 500 H THR 61 H THR 61 2.740 -9.211 -7.355 501 HA THR 61 HA THR 61 4.626 -10.041 -5.366 502 HB THR 61 HB THR 61 3.404 -7.264 -5.756 503 HG1 THR 61 HG1 THR 61 5.720 -7.200 -6.854 504 HG21 THR 61 HG21 THR 61 4.641 -7.495 -3.610 505 HG22 THR 61 HG22 THR 61 5.478 -6.412 -4.724 506 HG23 THR 61 HG23 THR 61 6.064 -8.061 -4.494 507 H LEU 62 H LEU 62 1.287 -8.886 -5.363 508 HA LEU 62 HA LEU 62 0.973 -9.543 -2.483 509 HB2 LEU 62 HB2 LEU 62 -0.611 -7.475 -4.066 510 HB3 LEU 62 HB3 LEU 62 -0.792 -7.840 -2.354 511 HG LEU 62 HG LEU 62 1.612 -6.503 -3.665 512 HD11 LEU 62 HD11 LEU 62 -0.367 -5.055 -3.534 513 HD12 LEU 62 HD12 LEU 62 0.911 -4.498 -2.459 514 HD13 LEU 62 HD13 LEU 62 -0.486 -5.351 -1.795 515 HD21 LEU 62 HD21 LEU 62 2.360 -7.880 -1.789 516 HD22 LEU 62 HD22 LEU 62 1.154 -7.145 -0.730 517 HD23 LEU 62 HD23 LEU 62 2.477 -6.169 -1.377 518 H LEU 63 H LEU 63 -1.183 -10.276 -1.891 519 HA LEU 63 HA LEU 63 -2.722 -11.681 -3.993 520 HB2 LEU 63 HB2 LEU 63 -2.406 -12.171 -1.012 521 HB3 LEU 63 HB3 LEU 63 -3.725 -12.893 -1.915 522 HG LEU 63 HG LEU 63 -0.783 -13.374 -2.495 523 HD11 LEU 63 HD11 LEU 63 -2.746 -15.175 -1.043 524 HD12 LEU 63 HD12 LEU 63 -1.376 -14.323 -0.324 525 HD13 LEU 63 HD13 LEU 63 -1.095 -15.597 -1.508 526 HD21 LEU 63 HD21 LEU 63 -2.181 -13.633 -4.498 527 HD22 LEU 63 HD22 LEU 63 -3.251 -14.741 -3.635 528 HD23 LEU 63 HD23 LEU 63 -1.575 -15.198 -3.956 529 H GLN 64 H GLN 64 -4.754 -10.982 -4.435 530 HA GLN 64 HA GLN 64 -6.148 -9.064 -2.714 531 HB2 GLN 64 HB2 GLN 64 -6.326 -8.793 -5.165 532 HB3 GLN 64 HB3 GLN 64 -7.028 -10.403 -5.308 533 HG2 GLN 64 HG2 GLN 64 -8.958 -9.600 -3.885 534 HG3 GLN 64 HG3 GLN 64 -8.273 -7.977 -3.975 535 HE21 GLN 64 HE21 GLN 64 -9.756 -10.564 -5.815 536 HE22 GLN 64 HE22 GLN 64 -10.227 -9.592 -7.161 537 H VAL 65 H VAL 65 -6.607 -10.154 -0.868 538 HA VAL 65 HA VAL 65 -7.868 -12.788 -0.855 539 HB VAL 65 HB VAL 65 -7.060 -11.024 1.497 540 HG11 VAL 65 HG11 VAL 65 -7.190 -13.112 2.842 541 HG12 VAL 65 HG12 VAL 65 -7.774 -13.991 1.428 542 HG13 VAL 65 HG13 VAL 65 -8.758 -12.709 2.135 543 HG21 VAL 65 HG21 VAL 65 -5.102 -11.590 0.116 544 HG22 VAL 65 HG22 VAL 65 -5.533 -13.302 0.169 545 HG23 VAL 65 HG23 VAL 65 -5.044 -12.470 1.646 546 H LYS 66 H LYS 66 -9.933 -12.731 -1.361 547 HA LYS 66 HA LYS 66 -11.752 -10.585 -0.449 548 HB2 LYS 66 HB2 LYS 66 -13.237 -11.433 -2.292 549 HB3 LYS 66 HB3 LYS 66 -11.666 -10.878 -2.862 550 HG2 LYS 66 HG2 LYS 66 -10.914 -13.308 -2.840 551 HG3 LYS 66 HG3 LYS 66 -12.597 -13.748 -2.537 552 HD2 LYS 66 HD2 LYS 66 -13.256 -12.703 -4.682 553 HD3 LYS 66 HD3 LYS 66 -11.580 -12.218 -4.968 554 HE2 LYS 66 HE2 LYS 66 -10.933 -14.645 -4.972 555 HE3 LYS 66 HE3 LYS 66 -12.639 -15.066 -4.813 556 HZ1 LYS 66 HZ1 LYS 66 -11.462 -13.522 -7.052 557 HZ2 LYS 66 HZ2 LYS 66 -13.071 -14.009 -6.917 558 HZ3 LYS 66 HZ3 LYS 66 -11.850 -15.164 -7.097 559 H GLY 67 H GLY 67 -14.087 -11.382 -0.069 560 HA2 GLY 67 HA2 GLY 67 -15.626 -12.653 1.094 561 HA3 GLY 67 HA3 GLY 67 -14.517 -14.012 1.041 562 H THR 68 H THR 68 -13.310 -11.046 2.365 563 HA THR 68 HA THR 68 -12.913 -12.300 4.981 564 HB THR 68 HB THR 68 -11.437 -10.327 5.436 565 HG1 THR 68 HG1 THR 68 -11.082 -8.898 3.572 566 HG21 THR 68 HG21 THR 68 -10.442 -12.294 4.318 567 HG22 THR 68 HG22 THR 68 -9.712 -10.800 3.726 568 HG23 THR 68 HG23 THR 68 -10.906 -11.646 2.741 569 H GLY 69 H GLY 69 -15.172 -10.113 3.630 570 HA2 GLY 69 HA2 GLY 69 -17.022 -9.252 4.984 571 HA3 GLY 69 HA3 GLY 69 -15.875 -8.922 6.279 572 H ALA 70 H ALA 70 -13.855 -7.907 4.347 573 HA ALA 70 HA ALA 70 -14.753 -5.151 4.028 574 HB1 ALA 70 HB1 ALA 70 -12.472 -5.621 4.844 575 HB2 ALA 70 HB2 ALA 70 -12.414 -4.727 3.324 576 HB3 ALA 70 HB3 ALA 70 -12.086 -6.463 3.340 577 H ASN 71 H ASN 71 -13.670 -4.200 1.765 578 HA ASN 71 HA ASN 71 -15.099 -5.462 -0.461 579 HB2 ASN 71 HB2 ASN 71 -13.515 -2.854 -0.309 580 HB3 ASN 71 HB3 ASN 71 -14.441 -3.390 -1.712 581 HD21 ASN 71 HD21 ASN 71 -14.673 -2.260 1.603 582 HD22 ASN 71 HD22 ASN 71 -16.339 -1.820 1.535 583 H GLY 72 H GLY 72 -11.905 -5.393 0.814 584 HA2 GLY 72 HA2 GLY 72 -10.867 -7.409 -0.795 585 HA3 GLY 72 HA3 GLY 72 -10.367 -5.894 -1.540 586 H SER 73 H SER 73 -9.610 -8.192 0.852 587 HA SER 73 HA SER 73 -7.800 -6.453 2.390 588 HB2 SER 73 HB2 SER 73 -8.393 -9.441 2.573 589 HB3 SER 73 HB3 SER 73 -7.248 -8.595 3.617 590 HG SER 73 HG SER 73 -8.902 -8.141 4.795 591 H PHE 74 H PHE 74 -5.480 -6.691 2.351 592 HA PHE 74 HA PHE 74 -4.362 -8.101 -0.017 593 HB2 PHE 74 HB2 PHE 74 -3.614 -5.274 0.861 594 HB3 PHE 74 HB3 PHE 74 -2.973 -6.138 -0.534 595 HD1 PHE 74 HD1 PHE 74 -4.843 -6.994 -2.263 596 HD2 PHE 74 HD2 PHE 74 -5.355 -3.725 0.466 597 HE1 PHE 74 HE1 PHE 74 -6.640 -6.082 -3.678 598 HE2 PHE 74 HE2 PHE 74 -7.148 -2.823 -0.961 599 HZ PHE 74 HZ PHE 74 -7.791 -4.001 -3.030 600 H LYS 75 H LYS 75 -2.497 -9.168 0.300 601 HA LYS 75 HA LYS 75 -0.751 -8.571 2.587 602 HB2 LYS 75 HB2 LYS 75 -0.529 -10.999 3.155 603 HB3 LYS 75 HB3 LYS 75 -2.116 -10.330 3.505 604 HG2 LYS 75 HG2 LYS 75 -3.169 -11.534 1.815 605 HG3 LYS 75 HG3 LYS 75 -1.689 -11.740 0.882 606 HD2 LYS 75 HD2 LYS 75 -2.491 -13.863 1.880 607 HD3 LYS 75 HD3 LYS 75 -0.879 -13.435 2.443 608 HE2 LYS 75 HE2 LYS 75 -3.358 -12.811 4.053 609 HE3 LYS 75 HE3 LYS 75 -2.562 -14.372 4.152 610 HZ1 LYS 75 HZ1 LYS 75 -0.542 -13.229 4.872 611 HZ2 LYS 75 HZ2 LYS 75 -1.839 -12.966 5.919 612 HZ3 LYS 75 HZ3 LYS 75 -1.362 -11.751 4.851 613 H LEU 76 H LEU 76 1.359 -9.739 2.485 614 HA LEU 76 HA LEU 76 2.606 -9.509 -0.085 615 HB2 LEU 76 HB2 LEU 76 3.685 -10.780 2.474 616 HB3 LEU 76 HB3 LEU 76 4.647 -10.338 1.068 617 HG LEU 76 HG LEU 76 3.202 -8.407 2.933 618 HD11 LEU 76 HD11 LEU 76 5.433 -7.655 3.598 619 HD12 LEU 76 HD12 LEU 76 6.176 -8.878 2.563 620 HD13 LEU 76 HD13 LEU 76 5.202 -9.368 3.952 621 HD21 LEU 76 HD21 LEU 76 4.892 -7.771 0.489 622 HD22 LEU 76 HD22 LEU 76 4.281 -6.592 1.653 623 HD23 LEU 76 HD23 LEU 76 3.154 -7.513 0.668 624 H ASN 77 H ASN 77 2.694 -11.032 -1.675 625 HA ASN 77 HA ASN 77 1.533 -13.652 -1.225 626 HB2 ASN 77 HB2 ASN 77 0.932 -12.284 -3.222 627 HB3 ASN 77 HB3 ASN 77 2.588 -12.432 -3.805 628 HD21 ASN 77 HD21 ASN 77 1.522 -13.355 -5.705 629 HD22 ASN 77 HD22 ASN 77 1.086 -15.021 -5.709 630 H ARG 78 H ARG 78 3.132 -14.525 0.137 631 HA ARG 78 HA ARG 78 5.760 -15.301 -0.736 632 HB2 ARG 78 HB2 ARG 78 3.967 -16.576 1.381 633 HB3 ARG 78 HB3 ARG 78 5.712 -16.788 1.237 634 HG2 ARG 78 HG2 ARG 78 6.104 -14.476 1.867 635 HG3 ARG 78 HG3 ARG 78 4.372 -14.123 1.818 636 HD2 ARG 78 HD2 ARG 78 4.004 -15.706 3.686 637 HD3 ARG 78 HD3 ARG 78 5.741 -16.030 3.755 638 HE ARG 78 HE ARG 78 5.680 -13.376 4.077 639 HH11 ARG 78 HH11 ARG 78 3.764 -15.781 5.653 640 HH12 ARG 78 HH12 ARG 78 3.686 -14.884 7.125 641 HH21 ARG 78 HH21 ARG 78 5.572 -12.268 5.943 642 HH22 ARG 78 HH22 ARG 78 4.700 -12.914 7.287 643 H LYS 79 H LYS 79 2.544 -16.530 -1.186 644 HA LYS 79 HA LYS 79 3.335 -19.210 -2.079 645 HB2 LYS 79 HB2 LYS 79 1.365 -18.743 -0.509 646 HB3 LYS 79 HB3 LYS 79 0.540 -17.985 -1.867 647 HG2 LYS 79 HG2 LYS 79 0.571 -20.143 -3.083 648 HG3 LYS 79 HG3 LYS 79 1.419 -20.896 -1.733 649 HD2 LYS 79 HD2 LYS 79 -1.377 -19.689 -1.596 650 HD3 LYS 79 HD3 LYS 79 -1.023 -21.412 -1.767 651 HE2 LYS 79 HE2 LYS 79 0.183 -21.331 0.431 652 HE3 LYS 79 HE3 LYS 79 -0.304 -19.641 0.598 653 HZ1 LYS 79 HZ1 LYS 79 -1.778 -21.072 1.806 654 HZ2 LYS 79 HZ2 LYS 79 -2.113 -21.981 0.419 655 HZ3 LYS 79 HZ3 LYS 79 -2.614 -20.370 0.516 656 H LYS 80 H LYS 80 3.940 -16.643 -3.629 657 HA LYS 80 HA LYS 80 2.614 -16.687 -6.121 658 HB2 LYS 80 HB2 LYS 80 4.105 -14.854 -5.377 659 HB3 LYS 80 HB3 LYS 80 5.496 -15.926 -5.509 660 HG2 LYS 80 HG2 LYS 80 5.203 -16.073 -7.936 661 HG3 LYS 80 HG3 LYS 80 3.723 -15.117 -7.845 662 HD2 LYS 80 HD2 LYS 80 5.624 -13.764 -8.626 663 HD3 LYS 80 HD3 LYS 80 4.999 -13.166 -7.089 664 HE2 LYS 80 HE2 LYS 80 6.860 -14.209 -5.888 665 HE3 LYS 80 HE3 LYS 80 7.451 -14.946 -7.377 666 HZ1 LYS 80 HZ1 LYS 80 7.903 -12.783 -8.255 667 HZ2 LYS 80 HZ2 LYS 80 8.664 -12.951 -6.756 668 HZ3 LYS 80 HZ3 LYS 80 7.253 -12.035 -6.887 669 H LEU 81 H LEU 81 4.833 -18.917 -4.719 670 HA LEU 81 HA LEU 81 5.846 -20.353 -6.889 671 HB2 LEU 81 HB2 LEU 81 4.876 -21.421 -4.208 672 HB3 LEU 81 HB3 LEU 81 5.935 -22.281 -5.314 673 HG LEU 81 HG LEU 81 6.620 -19.701 -3.841 674 HD11 LEU 81 HD11 LEU 81 7.677 -22.509 -3.387 675 HD12 LEU 81 HD12 LEU 81 6.573 -21.621 -2.334 676 HD13 LEU 81 HD13 LEU 81 8.220 -21.042 -2.563 677 HD21 LEU 81 HD21 LEU 81 8.370 -21.349 -5.708 678 HD22 LEU 81 HD22 LEU 81 8.905 -19.969 -4.741 679 HD23 LEU 81 HD23 LEU 81 7.723 -19.735 -6.025 680 H GLU 82 H GLU 82 2.575 -20.397 -5.506 681 HA GLU 82 HA GLU 82 1.531 -22.358 -7.378 682 HB2 GLU 82 HB2 GLU 82 0.170 -20.372 -5.500 683 HB3 GLU 82 HB3 GLU 82 -0.706 -21.511 -6.520 684 HG2 GLU 82 HG2 GLU 82 1.292 -22.315 -4.384 685 HG3 GLU 82 HG3 GLU 82 -0.451 -22.238 -4.135 686 H GLY 83 H GLY 83 1.064 -18.805 -6.963 687 HA2 GLY 83 HA2 GLY 83 1.331 -18.153 -9.726 688 HA3 GLY 83 HA3 GLY 83 -0.374 -18.291 -9.314 Start of MODEL 17 1 H1 SER 1 H1 SER 1 12.506 0.243 -18.616 2 H2 SER 1 H2 SER 1 12.132 -0.975 -17.498 3 H3 SER 1 H3 SER 1 11.617 0.615 -17.233 4 HA SER 1 HA SER 1 10.194 0.544 -19.137 5 HB2 SER 1 HB2 SER 1 9.862 -1.593 -20.367 6 HB3 SER 1 HB3 SER 1 11.521 -1.014 -20.506 7 HG SER 1 HG SER 1 10.757 -3.370 -19.724 8 H HIS 2 H HIS 2 8.287 0.708 -18.143 9 HA HIS 2 HA HIS 2 6.468 0.414 -16.831 10 HB2 HIS 2 HB2 HIS 2 6.844 -2.339 -18.037 11 HB3 HIS 2 HB3 HIS 2 5.436 -1.965 -17.053 12 HD1 HIS 2 HD1 HIS 2 6.088 -2.310 -20.422 13 HD2 HIS 2 HD2 HIS 2 4.416 0.809 -18.245 14 HE1 HIS 2 HE1 HIS 2 4.724 -1.002 -22.073 15 HE2 HIS 2 HE2 HIS 2 3.641 0.805 -20.710 16 H MET 3 H MET 3 8.955 0.129 -15.280 17 HA MET 3 HA MET 3 7.706 -1.110 -12.889 18 HB2 MET 3 HB2 MET 3 10.680 -1.104 -13.573 19 HB3 MET 3 HB3 MET 3 10.018 -1.581 -12.013 20 HG2 MET 3 HG2 MET 3 8.739 -3.397 -13.202 21 HG3 MET 3 HG3 MET 3 9.631 -2.981 -14.666 22 HE1 MET 3 HE1 MET 3 12.565 -2.274 -13.372 23 HE2 MET 3 HE2 MET 3 12.331 -3.204 -14.852 24 HE3 MET 3 HE3 MET 3 13.338 -3.847 -13.555 25 H GLN 4 H GLN 4 10.322 1.137 -13.854 26 HA GLN 4 HA GLN 4 10.867 3.266 -13.361 27 HB2 GLN 4 HB2 GLN 4 7.984 3.442 -12.377 28 HB3 GLN 4 HB3 GLN 4 9.040 4.831 -12.642 29 HG2 GLN 4 HG2 GLN 4 9.163 4.329 -15.040 30 HG3 GLN 4 HG3 GLN 4 8.207 2.862 -14.799 31 HE21 GLN 4 HE21 GLN 4 8.101 6.351 -14.928 32 HE22 GLN 4 HE22 GLN 4 6.385 6.480 -15.041 33 HA PRO 5 HA PRO 5 12.067 3.518 -8.941 34 HB2 PRO 5 HB2 PRO 5 12.354 6.225 -8.533 35 HB3 PRO 5 HB3 PRO 5 13.535 5.255 -9.426 36 HG2 PRO 5 HG2 PRO 5 11.301 6.986 -10.496 37 HG3 PRO 5 HG3 PRO 5 12.988 6.881 -11.043 38 HD2 PRO 5 HD2 PRO 5 10.987 5.599 -12.342 39 HD3 PRO 5 HD3 PRO 5 12.615 4.894 -12.225 40 H GLY 6 H GLY 6 9.749 2.719 -8.672 41 HA2 GLY 6 HA2 GLY 6 7.856 4.672 -7.513 42 HA3 GLY 6 HA3 GLY 6 7.465 3.064 -8.099 43 H LYS 7 H LYS 7 9.076 4.834 -5.510 44 HA LYS 7 HA LYS 7 9.370 2.551 -3.781 45 HB2 LYS 7 HB2 LYS 7 10.230 4.039 -2.090 46 HB3 LYS 7 HB3 LYS 7 10.936 4.473 -3.636 47 HG2 LYS 7 HG2 LYS 7 8.608 5.980 -2.401 48 HG3 LYS 7 HG3 LYS 7 10.296 6.385 -2.088 49 HD2 LYS 7 HD2 LYS 7 10.643 6.831 -4.488 50 HD3 LYS 7 HD3 LYS 7 8.961 6.401 -4.821 51 HE2 LYS 7 HE2 LYS 7 8.193 8.292 -3.446 52 HE3 LYS 7 HE3 LYS 7 9.866 8.699 -3.051 53 HZ1 LYS 7 HZ1 LYS 7 8.699 8.709 -5.772 54 HZ2 LYS 7 HZ2 LYS 7 10.280 9.148 -5.365 55 HZ3 LYS 7 HZ3 LYS 7 8.975 10.073 -4.817 56 H TYR 8 H TYR 8 6.593 4.347 -4.554 57 HA TYR 8 HA TYR 8 5.140 4.050 -2.100 58 HB2 TYR 8 HB2 TYR 8 4.207 4.258 -4.987 59 HB3 TYR 8 HB3 TYR 8 3.073 4.036 -3.664 60 HD1 TYR 8 HD1 TYR 8 2.724 5.868 -1.978 61 HD2 TYR 8 HD2 TYR 8 5.250 6.428 -5.388 62 HE1 TYR 8 HE1 TYR 8 2.623 8.304 -1.655 63 HE2 TYR 8 HE2 TYR 8 5.147 8.861 -5.052 64 HH TYR 8 HH TYR 8 4.062 10.286 -2.219 65 H SER 9 H SER 9 5.612 1.919 -4.944 66 HA SER 9 HA SER 9 4.051 -0.282 -4.136 67 HB2 SER 9 HB2 SER 9 6.638 -0.253 -5.752 68 HB3 SER 9 HB3 SER 9 5.547 -1.637 -5.634 69 HG SER 9 HG SER 9 4.294 -0.731 -7.063 70 H GLN 10 H GLN 10 7.490 0.449 -3.505 71 HA GLN 10 HA GLN 10 8.089 -1.823 -1.905 72 HB2 GLN 10 HB2 GLN 10 9.403 0.919 -2.012 73 HB3 GLN 10 HB3 GLN 10 10.081 -0.463 -1.151 74 HG2 GLN 10 HG2 GLN 10 9.590 -0.302 -4.147 75 HG3 GLN 10 HG3 GLN 10 11.151 -0.127 -3.347 76 HE21 GLN 10 HE21 GLN 10 10.258 -2.111 -5.360 77 HE22 GLN 10 HE22 GLN 10 10.512 -3.659 -4.641 78 H LEU 11 H LEU 11 6.845 1.392 -1.119 79 HA LEU 11 HA LEU 11 6.906 1.265 1.688 80 HB2 LEU 11 HB2 LEU 11 6.480 3.367 0.527 81 HB3 LEU 11 HB3 LEU 11 5.003 2.733 -0.175 82 HG LEU 11 HG LEU 11 3.947 2.671 2.089 83 HD11 LEU 11 HD11 LEU 11 6.516 3.954 3.077 84 HD12 LEU 11 HD12 LEU 11 5.930 2.336 3.480 85 HD13 LEU 11 HD13 LEU 11 5.030 3.753 4.010 86 HD21 LEU 11 HD21 LEU 11 5.074 5.395 1.356 87 HD22 LEU 11 HD22 LEU 11 3.657 5.092 2.362 88 HD23 LEU 11 HD23 LEU 11 3.635 4.645 0.659 89 H VAL 12 H VAL 12 4.345 0.220 -0.611 90 HA VAL 12 HA VAL 12 2.428 -0.625 1.300 91 HB VAL 12 HB VAL 12 2.845 -1.677 -1.537 92 HG11 VAL 12 HG11 VAL 12 0.489 -2.447 -1.409 93 HG12 VAL 12 HG12 VAL 12 0.414 -1.953 0.281 94 HG13 VAL 12 HG13 VAL 12 1.493 -3.262 -0.207 95 HG21 VAL 12 HG21 VAL 12 2.409 0.763 -1.482 96 HG22 VAL 12 HG22 VAL 12 0.948 0.489 -0.533 97 HG23 VAL 12 HG23 VAL 12 1.048 -0.109 -2.193 98 H VAL 13 H VAL 13 5.054 -2.428 -0.310 99 HA VAL 13 HA VAL 13 4.615 -4.980 0.784 100 HB VAL 13 HB VAL 13 7.268 -3.710 -0.050 101 HG11 VAL 13 HG11 VAL 13 8.121 -6.045 -0.290 102 HG12 VAL 13 HG12 VAL 13 6.618 -6.661 0.401 103 HG13 VAL 13 HG13 VAL 13 7.702 -5.675 1.385 104 HG21 VAL 13 HG21 VAL 13 5.608 -3.784 -1.891 105 HG22 VAL 13 HG22 VAL 13 5.367 -5.511 -1.622 106 HG23 VAL 13 HG23 VAL 13 6.927 -4.919 -2.197 107 H GLU 14 H GLU 14 6.647 -2.321 1.995 108 HA GLU 14 HA GLU 14 7.506 -3.555 4.417 109 HB2 GLU 14 HB2 GLU 14 7.379 -0.640 3.543 110 HB3 GLU 14 HB3 GLU 14 8.112 -1.160 5.059 111 HG2 GLU 14 HG2 GLU 14 9.807 -2.430 3.872 112 HG3 GLU 14 HG3 GLU 14 9.019 -2.112 2.324 113 H THR 15 H THR 15 4.663 -1.647 3.575 114 HA THR 15 HA THR 15 3.725 -0.937 6.163 115 HB THR 15 HB THR 15 2.468 -1.092 3.418 116 HG1 THR 15 HG1 THR 15 3.533 0.790 3.805 117 HG21 THR 15 HG21 THR 15 0.872 -0.529 5.932 118 HG22 THR 15 HG22 THR 15 0.612 -1.855 4.801 119 HG23 THR 15 HG23 THR 15 0.325 -0.194 4.288 120 H ILE 16 H ILE 16 2.771 -3.598 3.982 121 HA ILE 16 HA ILE 16 0.917 -4.801 5.795 122 HB ILE 16 HB ILE 16 2.252 -6.008 3.327 123 HG12 ILE 16 HG12 ILE 16 -0.456 -4.592 3.541 124 HG13 ILE 16 HG13 ILE 16 0.996 -3.871 2.853 125 HG21 ILE 16 HG21 ILE 16 -0.295 -6.872 4.749 126 HG22 ILE 16 HG22 ILE 16 1.242 -7.740 4.766 127 HG23 ILE 16 HG23 ILE 16 0.346 -7.567 3.259 128 HD11 ILE 16 HD11 ILE 16 0.975 -5.551 1.061 129 HD12 ILE 16 HD12 ILE 16 -0.525 -4.629 1.119 130 HD13 ILE 16 HD13 ILE 16 -0.482 -6.272 1.754 131 H ARG 17 H ARG 17 4.350 -5.289 5.115 132 HA ARG 17 HA ARG 17 4.733 -7.617 6.725 133 HB2 ARG 17 HB2 ARG 17 6.338 -7.035 4.993 134 HB3 ARG 17 HB3 ARG 17 6.706 -5.503 5.775 135 HG2 ARG 17 HG2 ARG 17 7.883 -6.570 7.558 136 HG3 ARG 17 HG3 ARG 17 7.242 -8.162 7.138 137 HD2 ARG 17 HD2 ARG 17 9.128 -6.542 5.386 138 HD3 ARG 17 HD3 ARG 17 9.633 -7.837 6.477 139 HE ARG 17 HE ARG 17 7.747 -9.012 4.914 140 HH11 ARG 17 HH11 ARG 17 10.627 -7.280 4.114 141 HH12 ARG 17 HH12 ARG 17 10.927 -8.238 2.709 142 HH21 ARG 17 HH21 ARG 17 8.137 -10.211 3.145 143 HH22 ARG 17 HH22 ARG 17 9.533 -9.898 2.171 144 H ARG 18 H ARG 18 4.972 -4.127 7.448 145 HA ARG 18 HA ARG 18 5.932 -4.278 10.103 146 HB2 ARG 18 HB2 ARG 18 4.356 -2.195 8.570 147 HB3 ARG 18 HB3 ARG 18 4.574 -1.988 10.304 148 HG2 ARG 18 HG2 ARG 18 6.843 -2.271 8.301 149 HG3 ARG 18 HG3 ARG 18 6.241 -0.740 8.951 150 HD2 ARG 18 HD2 ARG 18 6.812 -1.551 11.252 151 HD3 ARG 18 HD3 ARG 18 7.520 -3.002 10.532 152 HE ARG 18 HE ARG 18 8.815 -0.922 9.296 153 HH11 ARG 18 HH11 ARG 18 8.394 -1.856 12.609 154 HH12 ARG 18 HH12 ARG 18 9.892 -1.146 13.103 155 HH21 ARG 18 HH21 ARG 18 10.718 -0.034 9.952 156 HH22 ARG 18 HH22 ARG 18 11.200 -0.130 11.609 157 H LEU 19 H LEU 19 2.633 -4.454 8.809 158 HA LEU 19 HA LEU 19 1.389 -4.777 11.411 159 HB2 LEU 19 HB2 LEU 19 0.278 -5.173 8.599 160 HB3 LEU 19 HB3 LEU 19 -0.683 -5.227 10.076 161 HG LEU 19 HG LEU 19 0.808 -2.787 9.011 162 HD11 LEU 19 HD11 LEU 19 -1.190 -3.296 7.714 163 HD12 LEU 19 HD12 LEU 19 -1.415 -1.822 8.650 164 HD13 LEU 19 HD13 LEU 19 -2.169 -3.328 9.183 165 HD21 LEU 19 HD21 LEU 19 -0.893 -3.055 11.520 166 HD22 LEU 19 HD22 LEU 19 -0.253 -1.541 10.871 167 HD23 LEU 19 HD23 LEU 19 0.851 -2.782 11.454 168 H GLY 20 H GLY 20 2.720 -6.869 8.946 169 HA2 GLY 20 HA2 GLY 20 3.091 -9.142 8.856 170 HA3 GLY 20 HA3 GLY 20 2.440 -9.300 10.478 171 H GLU 21 H GLU 21 0.023 -8.964 10.609 172 HA GLU 21 HA GLU 21 -2.084 -9.472 10.230 173 HB2 GLU 21 HB2 GLU 21 -1.174 -8.477 7.597 174 HB3 GLU 21 HB3 GLU 21 -2.631 -9.461 7.501 175 HG2 GLU 21 HG2 GLU 21 -2.264 -7.032 9.276 176 HG3 GLU 21 HG3 GLU 21 -3.124 -7.065 7.746 177 H ARG 22 H ARG 22 -3.678 -10.970 9.529 178 HA ARG 22 HA ARG 22 -2.580 -13.672 9.010 179 HB2 ARG 22 HB2 ARG 22 -3.840 -13.234 11.167 180 HB3 ARG 22 HB3 ARG 22 -5.278 -12.892 10.215 181 HG2 ARG 22 HG2 ARG 22 -5.312 -15.173 11.150 182 HG3 ARG 22 HG3 ARG 22 -5.325 -15.190 9.385 183 HD2 ARG 22 HD2 ARG 22 -2.944 -15.751 9.331 184 HD3 ARG 22 HD3 ARG 22 -2.837 -15.603 11.085 185 HE ARG 22 HE ARG 22 -4.013 -17.622 11.329 186 HH11 ARG 22 HH11 ARG 22 -3.561 -16.922 7.963 187 HH12 ARG 22 HH12 ARG 22 -3.777 -18.567 7.493 188 HH21 ARG 22 HH21 ARG 22 -4.266 -19.724 10.680 189 HH22 ARG 22 HH22 ARG 22 -4.170 -20.126 9.002 190 H ASN 23 H ASN 23 -5.644 -11.870 8.351 191 HA ASN 23 HA ASN 23 -6.007 -13.312 5.827 192 HB2 ASN 23 HB2 ASN 23 -8.222 -12.385 5.712 193 HB3 ASN 23 HB3 ASN 23 -7.953 -12.914 7.361 194 HD21 ASN 23 HD21 ASN 23 -6.450 -10.540 8.183 195 HD22 ASN 23 HD22 ASN 23 -7.579 -9.248 8.243 196 H GLY 24 H GLY 24 -5.158 -10.032 6.867 197 HA2 GLY 24 HA2 GLY 24 -3.595 -9.035 5.055 198 HA3 GLY 24 HA3 GLY 24 -5.045 -9.079 4.062 199 H SER 25 H SER 25 -3.663 -6.711 4.582 200 HA SER 25 HA SER 25 -5.163 -5.183 6.603 201 HB2 SER 25 HB2 SER 25 -2.801 -4.333 4.854 202 HB3 SER 25 HB3 SER 25 -3.473 -3.421 6.212 203 HG SER 25 HG SER 25 -2.806 -5.145 7.580 204 H SER 26 H SER 26 -6.996 -4.115 5.937 205 HA SER 26 HA SER 26 -7.822 -3.798 3.263 206 HB2 SER 26 HB2 SER 26 -8.729 -2.285 5.744 207 HB3 SER 26 HB3 SER 26 -9.539 -2.198 4.176 208 HG SER 26 HG SER 26 -9.181 -4.781 4.873 209 H LEU 27 H LEU 27 -8.028 -1.866 1.929 210 HA LEU 27 HA LEU 27 -5.648 -0.514 1.475 211 HB2 LEU 27 HB2 LEU 27 -7.343 -0.764 -0.258 212 HB3 LEU 27 HB3 LEU 27 -8.467 0.246 0.633 213 HG LEU 27 HG LEU 27 -7.000 2.237 0.233 214 HD11 LEU 27 HD11 LEU 27 -5.300 0.377 -1.461 215 HD12 LEU 27 HD12 LEU 27 -4.819 1.155 0.051 216 HD13 LEU 27 HD13 LEU 27 -5.144 2.135 -1.375 217 HD21 LEU 27 HD21 LEU 27 -8.850 1.771 -1.319 218 HD22 LEU 27 HD22 LEU 27 -7.773 0.801 -2.328 219 HD23 LEU 27 HD23 LEU 27 -7.491 2.534 -2.145 220 H ALA 28 H ALA 28 -8.438 0.649 3.355 221 HA ALA 28 HA ALA 28 -7.525 3.296 3.870 222 HB1 ALA 28 HB1 ALA 28 -9.398 1.572 5.529 223 HB2 ALA 28 HB2 ALA 28 -9.865 2.616 4.187 224 HB3 ALA 28 HB3 ALA 28 -9.215 3.325 5.666 225 H LYS 29 H LYS 29 -6.928 0.223 5.532 226 HA LYS 29 HA LYS 29 -5.553 1.347 7.808 227 HB2 LYS 29 HB2 LYS 29 -6.790 -0.851 7.889 228 HB3 LYS 29 HB3 LYS 29 -5.565 -1.548 6.836 229 HG2 LYS 29 HG2 LYS 29 -5.199 -2.158 9.196 230 HG3 LYS 29 HG3 LYS 29 -3.844 -1.220 8.555 231 HD2 LYS 29 HD2 LYS 29 -4.676 0.804 9.676 232 HD3 LYS 29 HD3 LYS 29 -6.103 -0.065 10.250 233 HE2 LYS 29 HE2 LYS 29 -4.374 0.208 12.010 234 HE3 LYS 29 HE3 LYS 29 -4.701 -1.489 11.659 235 HZ1 LYS 29 HZ1 LYS 29 -2.336 -0.982 11.876 236 HZ2 LYS 29 HZ2 LYS 29 -2.422 0.052 10.548 237 HZ3 LYS 29 HZ3 LYS 29 -2.716 -1.602 10.358 238 H ILE 30 H ILE 30 -4.579 -0.053 4.696 239 HA ILE 30 HA ILE 30 -1.763 -0.001 5.017 240 HB ILE 30 HB ILE 30 -3.510 0.213 2.524 241 HG12 ILE 30 HG12 ILE 30 -1.919 -2.111 3.700 242 HG13 ILE 30 HG13 ILE 30 -3.670 -1.939 3.725 243 HG21 ILE 30 HG21 ILE 30 -1.519 -0.288 1.136 244 HG22 ILE 30 HG22 ILE 30 -0.488 -0.142 2.560 245 HG23 ILE 30 HG23 ILE 30 -1.362 1.267 1.957 246 HD11 ILE 30 HD11 ILE 30 -3.702 -2.160 1.270 247 HD12 ILE 30 HD12 ILE 30 -2.984 -3.555 2.073 248 HD13 ILE 30 HD13 ILE 30 -1.946 -2.371 1.282 249 H TYR 31 H TYR 31 -4.082 2.426 3.865 250 HA TYR 31 HA TYR 31 -2.334 4.554 3.330 251 HB2 TYR 31 HB2 TYR 31 -4.716 4.555 2.653 252 HB3 TYR 31 HB3 TYR 31 -5.215 4.637 4.338 253 HD1 TYR 31 HD2 TYR 31 -3.645 6.537 1.560 254 HD2 TYR 31 HD1 TYR 31 -5.166 6.776 5.557 255 HE1 TYR 31 HE2 TYR 31 -3.543 8.991 1.465 256 HE2 TYR 31 HE1 TYR 31 -5.052 9.226 5.447 257 HH TYR 31 HH TYR 31 -4.546 10.929 2.547 258 H THR 32 H THR 32 -3.922 3.569 6.374 259 HA THR 32 HA THR 32 -3.143 5.689 8.049 260 HB THR 32 HB THR 32 -3.520 2.771 8.886 261 HG1 THR 32 HG1 THR 32 -5.422 3.353 7.978 262 HG21 THR 32 HG21 THR 32 -4.166 3.703 11.098 263 HG22 THR 32 HG22 THR 32 -3.767 5.323 10.527 264 HG23 THR 32 HG23 THR 32 -2.494 4.114 10.696 265 H GLU 33 H GLU 33 -1.336 2.740 7.173 266 HA GLU 33 HA GLU 33 0.943 3.343 8.824 267 HB2 GLU 33 HB2 GLU 33 0.795 1.475 6.437 268 HB3 GLU 33 HB3 GLU 33 2.011 1.465 7.714 269 HG2 GLU 33 HG2 GLU 33 -0.917 0.712 7.929 270 HG3 GLU 33 HG3 GLU 33 0.476 -0.355 8.093 271 H ALA 34 H ALA 34 0.083 3.848 5.452 272 HA ALA 34 HA ALA 34 2.648 4.611 4.489 273 HB1 ALA 34 HB1 ALA 34 -0.090 5.073 3.276 274 HB2 ALA 34 HB2 ALA 34 0.913 3.638 3.057 275 HB3 ALA 34 HB3 ALA 34 1.456 5.194 2.431 276 H LYS 35 H LYS 35 0.059 6.454 5.977 277 HA LYS 35 HA LYS 35 0.846 9.040 4.978 278 HB2 LYS 35 HB2 LYS 35 -0.778 9.935 6.627 279 HB3 LYS 35 HB3 LYS 35 -1.458 8.650 5.630 280 HG2 LYS 35 HG2 LYS 35 -1.111 7.040 7.484 281 HG3 LYS 35 HG3 LYS 35 -0.489 8.349 8.497 282 HD2 LYS 35 HD2 LYS 35 -3.290 8.278 7.288 283 HD3 LYS 35 HD3 LYS 35 -2.904 7.758 8.930 284 HE2 LYS 35 HE2 LYS 35 -2.156 10.042 9.480 285 HE3 LYS 35 HE3 LYS 35 -2.479 10.552 7.828 286 HZ1 LYS 35 HZ1 LYS 35 -4.249 11.165 9.355 287 HZ2 LYS 35 HZ2 LYS 35 -4.520 9.538 9.714 288 HZ3 LYS 35 HZ3 LYS 35 -4.802 10.116 8.151 289 H LYS 36 H LYS 36 2.171 7.057 7.418 290 HA LYS 36 HA LYS 36 3.040 9.156 9.228 291 HB2 LYS 36 HB2 LYS 36 3.784 6.198 9.144 292 HB3 LYS 36 HB3 LYS 36 4.145 7.312 10.466 293 HG2 LYS 36 HG2 LYS 36 1.717 7.644 10.850 294 HG3 LYS 36 HG3 LYS 36 1.360 6.524 9.531 295 HD2 LYS 36 HD2 LYS 36 2.779 5.845 12.138 296 HD3 LYS 36 HD3 LYS 36 1.117 5.426 11.716 297 HE2 LYS 36 HE2 LYS 36 2.090 4.093 9.762 298 HE3 LYS 36 HE3 LYS 36 3.676 4.347 10.489 299 HZ1 LYS 36 HZ1 LYS 36 1.374 2.995 11.774 300 HZ2 LYS 36 HZ2 LYS 36 2.901 3.222 12.469 301 HZ3 LYS 36 HZ3 LYS 36 2.728 2.234 11.107 302 H VAL 37 H VAL 37 4.257 8.190 6.234 303 HA VAL 37 HA VAL 37 7.107 8.534 6.902 304 HB VAL 37 HB VAL 37 6.562 8.277 3.995 305 HG11 VAL 37 HG11 VAL 37 8.783 7.935 4.959 306 HG12 VAL 37 HG12 VAL 37 8.228 6.496 4.108 307 HG13 VAL 37 HG13 VAL 37 8.192 6.543 5.874 308 HG21 VAL 37 HG21 VAL 37 4.621 6.985 4.724 309 HG22 VAL 37 HG22 VAL 37 5.646 5.964 5.730 310 HG23 VAL 37 HG23 VAL 37 5.822 5.942 3.971 311 HA PRO 38 HA PRO 38 6.972 12.920 6.007 312 HB2 PRO 38 HB2 PRO 38 9.630 13.421 5.425 313 HB3 PRO 38 HB3 PRO 38 9.012 13.151 7.061 314 HG2 PRO 38 HG2 PRO 38 10.314 11.177 5.176 315 HG3 PRO 38 HG3 PRO 38 10.650 11.457 6.899 316 HD2 PRO 38 HD2 PRO 38 9.107 9.401 6.119 317 HD3 PRO 38 HD3 PRO 38 8.704 10.313 7.593 318 H TRP 39 H TRP 39 8.172 10.739 3.470 319 HA TRP 39 HA TRP 39 8.176 12.861 1.427 320 HB2 TRP 39 HB2 TRP 39 9.004 11.100 -0.126 321 HB3 TRP 39 HB3 TRP 39 10.014 11.269 1.302 322 HD1 TRP 39 HD1 TRP 39 10.293 9.141 2.855 323 HE1 TRP 39 HE1 TRP 39 9.623 6.677 2.610 324 HE3 TRP 39 HE3 TRP 39 7.020 9.543 -1.069 325 HZ2 TRP 39 HZ2 TRP 39 7.922 5.105 1.026 326 HZ3 TRP 39 HZ3 TRP 39 5.905 7.506 -1.880 327 HH2 TRP 39 HH2 TRP 39 6.347 5.332 -0.854 328 H PHE 40 H PHE 40 5.868 10.729 2.718 329 HA PHE 40 HA PHE 40 4.398 9.993 0.379 330 HB2 PHE 40 HB2 PHE 40 4.300 8.792 2.575 331 HB3 PHE 40 HB3 PHE 40 3.466 10.169 3.284 332 HD1 PHE 40 HD2 PHE 40 3.177 7.612 0.574 333 HD2 PHE 40 HD1 PHE 40 1.089 10.254 3.207 334 HE1 PHE 40 HE2 PHE 40 1.033 6.619 -0.116 335 HE2 PHE 40 HE1 PHE 40 -1.050 9.247 2.519 336 HZ PHE 40 HZ PHE 40 -1.078 7.432 0.859 337 H ASP 41 H ASP 41 2.308 10.780 -0.313 338 HA ASP 41 HA ASP 41 1.768 13.647 0.245 339 HB2 ASP 41 HB2 ASP 41 2.334 13.009 -2.140 340 HB3 ASP 41 HB3 ASP 41 0.896 11.994 -2.178 341 H GLN 42 H GLN 42 -0.201 14.221 1.102 342 HA GLN 42 HA GLN 42 -1.726 12.107 2.378 343 HB2 GLN 42 HB2 GLN 42 -2.010 15.131 2.575 344 HB3 GLN 42 HB3 GLN 42 -2.808 13.958 3.623 345 HG2 GLN 42 HG2 GLN 42 0.194 14.373 3.400 346 HG3 GLN 42 HG3 GLN 42 -0.831 14.969 4.702 347 HE21 GLN 42 HE21 GLN 42 -2.427 12.566 4.965 348 HE22 GLN 42 HE22 GLN 42 -1.407 11.371 5.665 349 H GLN 43 H GLN 43 -2.140 13.462 -0.635 350 HA GLN 43 HA GLN 43 -5.080 12.949 -0.620 351 HB2 GLN 43 HB2 GLN 43 -3.638 15.060 -2.301 352 HB3 GLN 43 HB3 GLN 43 -5.371 14.728 -2.313 353 HG2 GLN 43 HG2 GLN 43 -5.561 15.507 -0.002 354 HG3 GLN 43 HG3 GLN 43 -3.821 15.777 0.075 355 HE21 GLN 43 HE21 GLN 43 -5.960 17.709 0.497 356 HE22 GLN 43 HE22 GLN 43 -5.712 18.961 -0.662 357 H ASN 44 H ASN 44 -2.621 13.614 -3.117 358 HA ASN 44 HA ASN 44 -3.564 11.771 -5.045 359 HB2 ASN 44 HB2 ASN 44 -0.748 12.938 -4.858 360 HB3 ASN 44 HB3 ASN 44 -1.545 12.329 -6.308 361 HD21 ASN 44 HD21 ASN 44 -1.354 14.957 -4.025 362 HD22 ASN 44 HD22 ASN 44 -2.263 16.092 -4.951 363 H GLY 45 H GLY 45 -1.288 11.458 -2.406 364 HA2 GLY 45 HA2 GLY 45 0.170 9.182 -3.124 365 HA3 GLY 45 HA3 GLY 45 -0.184 9.692 -1.479 366 H ARG 46 H ARG 46 -3.122 9.371 -1.748 367 HA ARG 46 HA ARG 46 -3.386 6.612 -1.052 368 HB2 ARG 46 HB2 ARG 46 -4.888 8.474 -0.213 369 HB3 ARG 46 HB3 ARG 46 -5.641 8.522 -1.807 370 HG2 ARG 46 HG2 ARG 46 -6.335 6.141 -1.522 371 HG3 ARG 46 HG3 ARG 46 -5.620 6.145 0.092 372 HD2 ARG 46 HD2 ARG 46 -7.979 7.814 -0.849 373 HD3 ARG 46 HD3 ARG 46 -8.033 6.429 0.241 374 HE ARG 46 HE ARG 46 -6.439 8.737 1.076 375 HH11 ARG 46 HH11 ARG 46 -9.343 6.945 1.495 376 HH12 ARG 46 HH12 ARG 46 -9.774 7.793 2.934 377 HH21 ARG 46 HH21 ARG 46 -7.001 9.794 2.916 378 HH22 ARG 46 HH22 ARG 46 -8.466 9.389 3.736 379 H THR 47 H THR 47 -4.112 8.448 -4.002 380 HA THR 47 HA THR 47 -5.167 6.368 -5.614 381 HB THR 47 HB THR 47 -3.625 8.881 -6.420 382 HG1 THR 47 HG1 THR 47 -5.584 9.797 -6.608 383 HG21 THR 47 HG21 THR 47 -4.562 8.583 -8.702 384 HG22 THR 47 HG22 THR 47 -5.213 7.012 -8.229 385 HG23 THR 47 HG23 THR 47 -3.467 7.265 -8.277 386 H TYR 48 H TYR 48 -1.835 7.526 -5.103 387 HA TYR 48 HA TYR 48 -0.531 5.711 -6.852 388 HB2 TYR 48 HB2 TYR 48 0.588 7.176 -4.422 389 HB3 TYR 48 HB3 TYR 48 1.561 6.367 -5.647 390 HD1 TYR 48 HD1 TYR 48 -0.095 7.315 -8.097 391 HD2 TYR 48 HD2 TYR 48 1.482 9.393 -4.704 392 HE1 TYR 48 HE1 TYR 48 -0.011 9.397 -9.403 393 HE2 TYR 48 HE2 TYR 48 1.557 11.470 -6.007 394 HH TYR 48 HH TYR 48 -0.030 11.887 -8.927 395 H LEU 49 H LEU 49 -1.577 5.375 -3.468 396 HA LEU 49 HA LEU 49 -0.249 2.897 -2.927 397 HB2 LEU 49 HB2 LEU 49 -2.784 4.089 -1.741 398 HB3 LEU 49 HB3 LEU 49 -2.035 2.612 -1.148 399 HG LEU 49 HG LEU 49 -0.784 5.386 -1.083 400 HD11 LEU 49 HD11 LEU 49 -2.622 5.127 0.515 401 HD12 LEU 49 HD12 LEU 49 -1.072 5.235 1.343 402 HD13 LEU 49 HD13 LEU 49 -1.872 3.669 1.173 403 HD21 LEU 49 HD21 LEU 49 0.945 3.677 -1.404 404 HD22 LEU 49 HD22 LEU 49 0.316 2.746 -0.042 405 HD23 LEU 49 HD23 LEU 49 1.030 4.339 0.227 406 H LYS 50 H LYS 50 -3.635 3.651 -3.882 407 HA LYS 50 HA LYS 50 -4.621 1.054 -4.117 408 HB2 LYS 50 HB2 LYS 50 -6.102 3.004 -4.153 409 HB3 LYS 50 HB3 LYS 50 -5.398 3.552 -5.672 410 HG2 LYS 50 HG2 LYS 50 -6.292 1.434 -6.753 411 HG3 LYS 50 HG3 LYS 50 -7.123 1.085 -5.237 412 HD2 LYS 50 HD2 LYS 50 -8.641 2.115 -6.865 413 HD3 LYS 50 HD3 LYS 50 -8.431 3.164 -5.462 414 HE2 LYS 50 HE2 LYS 50 -6.860 4.575 -6.744 415 HE3 LYS 50 HE3 LYS 50 -7.006 3.498 -8.135 416 HZ1 LYS 50 HZ1 LYS 50 -8.383 5.431 -8.386 417 HZ2 LYS 50 HZ2 LYS 50 -9.194 5.104 -6.938 418 HZ3 LYS 50 HZ3 LYS 50 -9.353 4.053 -8.253 419 H TYR 51 H TYR 51 -2.980 3.041 -6.561 420 HA TYR 51 HA TYR 51 -3.358 1.130 -8.672 421 HB2 TYR 51 HB2 TYR 51 -2.377 3.904 -8.470 422 HB3 TYR 51 HB3 TYR 51 -1.393 2.959 -9.579 423 HD1 TYR 51 HD1 TYR 51 -2.697 1.507 -11.333 424 HD2 TYR 51 HD2 TYR 51 -4.419 4.852 -9.297 425 HE1 TYR 51 HE1 TYR 51 -4.394 1.671 -13.079 426 HE2 TYR 51 HE2 TYR 51 -6.131 5.033 -11.068 427 HH TYR 51 HH TYR 51 -6.470 4.365 -13.414 428 H SER 52 H SER 52 -0.591 2.011 -6.570 429 HA SER 52 HA SER 52 1.324 0.306 -7.781 430 HB2 SER 52 HB2 SER 52 2.564 0.358 -5.655 431 HB3 SER 52 HB3 SER 52 1.961 1.967 -6.039 432 HG SER 52 HG SER 52 0.761 1.924 -4.323 433 H ILE 53 H ILE 53 -0.922 -0.297 -5.087 434 HA ILE 53 HA ILE 53 -0.483 -2.991 -4.588 435 HB ILE 53 HB ILE 53 -3.054 -1.371 -4.362 436 HG12 ILE 53 HG12 ILE 53 -1.068 -2.258 -2.222 437 HG13 ILE 53 HG13 ILE 53 -1.150 -0.644 -2.910 438 HG21 ILE 53 HG21 ILE 53 -3.694 -3.735 -4.522 439 HG22 ILE 53 HG22 ILE 53 -3.948 -3.143 -2.881 440 HG23 ILE 53 HG23 ILE 53 -2.548 -4.153 -3.246 441 HD11 ILE 53 HD11 ILE 53 -2.172 -0.718 -0.723 442 HD12 ILE 53 HD12 ILE 53 -3.290 -1.975 -1.247 443 HD13 ILE 53 HD13 ILE 53 -3.388 -0.356 -1.948 444 H LYS 54 H LYS 54 -2.910 -1.582 -6.836 445 HA LYS 54 HA LYS 54 -4.092 -4.000 -7.664 446 HB2 LYS 54 HB2 LYS 54 -5.084 -1.715 -7.950 447 HB3 LYS 54 HB3 LYS 54 -3.912 -1.388 -9.222 448 HG2 LYS 54 HG2 LYS 54 -4.875 -3.217 -10.581 449 HG3 LYS 54 HG3 LYS 54 -6.052 -3.545 -9.302 450 HD2 LYS 54 HD2 LYS 54 -6.975 -1.241 -9.609 451 HD3 LYS 54 HD3 LYS 54 -5.814 -0.970 -10.914 452 HE2 LYS 54 HE2 LYS 54 -8.032 -3.056 -10.900 453 HE3 LYS 54 HE3 LYS 54 -8.019 -1.555 -11.823 454 HZ1 LYS 54 HZ1 LYS 54 -6.101 -2.378 -13.048 455 HZ2 LYS 54 HZ2 LYS 54 -7.413 -3.434 -13.193 456 HZ3 LYS 54 HZ3 LYS 54 -6.125 -3.817 -12.167 457 H ALA 55 H ALA 55 -1.456 -2.113 -9.092 458 HA ALA 55 HA ALA 55 -0.937 -3.791 -11.331 459 HB1 ALA 55 HB1 ALA 55 0.917 -1.856 -9.909 460 HB2 ALA 55 HB2 ALA 55 -0.200 -1.445 -11.215 461 HB3 ALA 55 HB3 ALA 55 1.160 -2.530 -11.528 462 H LEU 56 H LEU 56 0.301 -3.796 -7.974 463 HA LEU 56 HA LEU 56 2.246 -5.877 -8.382 464 HB2 LEU 56 HB2 LEU 56 1.016 -4.758 -5.844 465 HB3 LEU 56 HB3 LEU 56 2.237 -6.020 -5.834 466 HG LEU 56 HG LEU 56 2.625 -3.182 -6.867 467 HD11 LEU 56 HD11 LEU 56 4.129 -2.889 -4.947 468 HD12 LEU 56 HD12 LEU 56 3.733 -4.511 -4.374 469 HD13 LEU 56 HD13 LEU 56 2.486 -3.261 -4.431 470 HD21 LEU 56 HD21 LEU 56 5.001 -3.758 -7.148 471 HD22 LEU 56 HD22 LEU 56 3.973 -4.740 -8.189 472 HD23 LEU 56 HD23 LEU 56 4.654 -5.435 -6.715 473 H VAL 57 H VAL 57 -1.209 -5.900 -7.608 474 HA VAL 57 HA VAL 57 -1.366 -8.672 -6.844 475 HB VAL 57 HB VAL 57 -3.564 -6.810 -7.885 476 HG11 VAL 57 HG11 VAL 57 -3.863 -9.577 -6.637 477 HG12 VAL 57 HG12 VAL 57 -4.203 -9.163 -8.318 478 HG13 VAL 57 HG13 VAL 57 -5.196 -8.487 -7.026 479 HG21 VAL 57 HG21 VAL 57 -2.943 -7.712 -5.037 480 HG22 VAL 57 HG22 VAL 57 -4.284 -6.669 -5.512 481 HG23 VAL 57 HG23 VAL 57 -2.622 -6.105 -5.695 482 H GLN 58 H GLN 58 -1.659 -6.881 -9.888 483 HA GLN 58 HA GLN 58 -2.173 -9.045 -11.645 484 HB2 GLN 58 HB2 GLN 58 -2.349 -6.487 -12.056 485 HB3 GLN 58 HB3 GLN 58 -0.622 -6.520 -12.369 486 HG2 GLN 58 HG2 GLN 58 -2.577 -8.237 -13.924 487 HG3 GLN 58 HG3 GLN 58 -2.230 -6.572 -14.376 488 HE21 GLN 58 HE21 GLN 58 -1.031 -9.838 -14.350 489 HE22 GLN 58 HE22 GLN 58 0.366 -9.548 -15.318 490 H ASN 59 H ASN 59 0.865 -7.616 -10.412 491 HA ASN 59 HA ASN 59 2.614 -9.425 -11.893 492 HB2 ASN 59 HB2 ASN 59 3.239 -7.395 -9.698 493 HB3 ASN 59 HB3 ASN 59 4.455 -8.288 -10.605 494 HD21 ASN 59 HD21 ASN 59 4.033 -5.399 -10.423 495 HD22 ASN 59 HD22 ASN 59 3.814 -4.848 -12.042 496 H ASP 60 H ASP 60 0.685 -9.964 -9.314 497 HA ASP 60 HA ASP 60 0.464 -11.474 -7.665 498 HB2 ASP 60 HB2 ASP 60 2.670 -12.990 -9.092 499 HB3 ASP 60 HB3 ASP 60 1.526 -13.667 -7.938 500 H THR 61 H THR 61 2.512 -9.337 -7.333 501 HA THR 61 HA THR 61 4.322 -10.262 -5.284 502 HB THR 61 HB THR 61 3.382 -7.449 -6.016 503 HG1 THR 61 HG1 THR 61 4.962 -9.065 -7.335 504 HG21 THR 61 HG21 THR 61 4.258 -7.457 -3.709 505 HG22 THR 61 HG22 THR 61 5.359 -6.616 -4.804 506 HG23 THR 61 HG23 THR 61 5.734 -8.254 -4.267 507 H LEU 62 H LEU 62 1.095 -8.778 -5.451 508 HA LEU 62 HA LEU 62 0.702 -9.191 -2.534 509 HB2 LEU 62 HB2 LEU 62 -0.675 -7.156 -4.338 510 HB3 LEU 62 HB3 LEU 62 -1.028 -7.409 -2.631 511 HG LEU 62 HG LEU 62 1.570 -6.312 -3.793 512 HD11 LEU 62 HD11 LEU 62 -0.282 -4.709 -3.797 513 HD12 LEU 62 HD12 LEU 62 0.964 -4.247 -2.643 514 HD13 LEU 62 HD13 LEU 62 -0.540 -4.977 -2.070 515 HD21 LEU 62 HD21 LEU 62 2.089 -7.695 -1.843 516 HD22 LEU 62 HD22 LEU 62 0.878 -6.846 -0.882 517 HD23 LEU 62 HD23 LEU 62 2.309 -5.989 -1.462 518 H LEU 63 H LEU 63 -1.385 -9.841 -1.849 519 HA LEU 63 HA LEU 63 -2.952 -11.488 -3.736 520 HB2 LEU 63 HB2 LEU 63 -2.480 -11.755 -0.731 521 HB3 LEU 63 HB3 LEU 63 -3.540 -12.803 -1.665 522 HG LEU 63 HG LEU 63 -0.552 -12.556 -2.224 523 HD11 LEU 63 HD11 LEU 63 -1.926 -14.650 -0.510 524 HD12 LEU 63 HD12 LEU 63 -0.789 -13.416 0.041 525 HD13 LEU 63 HD13 LEU 63 -0.242 -14.693 -1.042 526 HD21 LEU 63 HD21 LEU 63 -0.862 -14.658 -3.472 527 HD22 LEU 63 HD22 LEU 63 -1.882 -13.375 -4.115 528 HD23 LEU 63 HD23 LEU 63 -2.590 -14.636 -3.102 529 H GLN 64 H GLN 64 -4.937 -10.672 -4.165 530 HA GLN 64 HA GLN 64 -6.136 -8.560 -2.566 531 HB2 GLN 64 HB2 GLN 64 -6.217 -8.434 -5.025 532 HB3 GLN 64 HB3 GLN 64 -7.142 -9.930 -5.093 533 HG2 GLN 64 HG2 GLN 64 -9.022 -8.834 -3.925 534 HG3 GLN 64 HG3 GLN 64 -8.086 -7.348 -3.795 535 HE21 GLN 64 HE21 GLN 64 -8.167 -9.378 -6.690 536 HE22 GLN 64 HE22 GLN 64 -9.021 -8.243 -7.662 537 H VAL 65 H VAL 65 -7.160 -9.093 -0.779 538 HA VAL 65 HA VAL 65 -8.750 -11.577 -0.533 539 HB VAL 65 HB VAL 65 -7.505 -9.915 1.707 540 HG11 VAL 65 HG11 VAL 65 -9.445 -11.235 2.456 541 HG12 VAL 65 HG12 VAL 65 -7.953 -11.901 3.126 542 HG13 VAL 65 HG13 VAL 65 -8.740 -12.697 1.761 543 HG21 VAL 65 HG21 VAL 65 -5.723 -10.865 0.308 544 HG22 VAL 65 HG22 VAL 65 -6.448 -12.470 0.434 545 HG23 VAL 65 HG23 VAL 65 -5.780 -11.689 1.869 546 H LYS 66 H LYS 66 -10.855 -11.062 -0.899 547 HA LYS 66 HA LYS 66 -11.983 -8.505 0.114 548 HB2 LYS 66 HB2 LYS 66 -13.797 -8.890 -1.551 549 HB3 LYS 66 HB3 LYS 66 -12.201 -8.789 -2.293 550 HG2 LYS 66 HG2 LYS 66 -12.121 -11.275 -2.413 551 HG3 LYS 66 HG3 LYS 66 -13.755 -11.340 -1.736 552 HD2 LYS 66 HD2 LYS 66 -14.630 -10.124 -3.694 553 HD3 LYS 66 HD3 LYS 66 -13.000 -9.983 -4.359 554 HE2 LYS 66 HE2 LYS 66 -12.879 -12.449 -4.569 555 HE3 LYS 66 HE3 LYS 66 -14.506 -12.586 -3.898 556 HZ1 LYS 66 HZ1 LYS 66 -13.784 -11.211 -6.429 557 HZ2 LYS 66 HZ2 LYS 66 -15.340 -11.328 -5.787 558 HZ3 LYS 66 HZ3 LYS 66 -14.534 -12.723 -6.298 559 H GLY 67 H GLY 67 -14.353 -8.622 0.725 560 HA2 GLY 67 HA2 GLY 67 -16.148 -9.500 1.907 561 HA3 GLY 67 HA3 GLY 67 -15.365 -11.070 1.917 562 H THR 68 H THR 68 -13.343 -11.156 3.330 563 HA THR 68 HA THR 68 -14.041 -10.425 6.040 564 HB THR 68 HB THR 68 -13.079 -12.632 5.622 565 HG1 THR 68 HG1 THR 68 -10.994 -11.347 7.013 566 HG21 THR 68 HG21 THR 68 -11.629 -12.098 3.696 567 HG22 THR 68 HG22 THR 68 -10.723 -12.941 4.955 568 HG23 THR 68 HG23 THR 68 -10.544 -11.195 4.756 569 H GLY 69 H GLY 69 -12.318 -9.574 7.560 570 HA2 GLY 69 HA2 GLY 69 -10.790 -7.932 8.208 571 HA3 GLY 69 HA3 GLY 69 -10.529 -7.506 6.522 572 H ALA 70 H ALA 70 -12.103 -6.180 5.454 573 HA ALA 70 HA ALA 70 -14.375 -5.031 6.771 574 HB1 ALA 70 HB1 ALA 70 -12.006 -3.151 6.398 575 HB2 ALA 70 HB2 ALA 70 -12.626 -3.724 7.947 576 HB3 ALA 70 HB3 ALA 70 -13.628 -2.689 6.929 577 H ASN 71 H ASN 71 -12.003 -3.772 4.400 578 HA ASN 71 HA ASN 71 -13.840 -4.076 2.159 579 HB2 ASN 71 HB2 ASN 71 -14.626 -1.960 3.190 580 HB3 ASN 71 HB3 ASN 71 -12.991 -1.310 3.155 581 HD21 ASN 71 HD21 ASN 71 -15.759 -2.200 1.195 582 HD22 ASN 71 HD22 ASN 71 -15.288 -1.310 -0.208 583 H GLY 72 H GLY 72 -12.342 -5.231 1.006 584 HA2 GLY 72 HA2 GLY 72 -10.580 -5.655 -0.399 585 HA3 GLY 72 HA3 GLY 72 -10.323 -3.920 -0.467 586 H SER 73 H SER 73 -9.649 -6.802 1.523 587 HA SER 73 HA SER 73 -7.415 -5.539 2.914 588 HB2 SER 73 HB2 SER 73 -8.498 -8.390 3.076 589 HB3 SER 73 HB3 SER 73 -7.253 -7.712 4.121 590 HG SER 73 HG SER 73 -9.580 -7.734 4.839 591 H PHE 74 H PHE 74 -5.221 -6.191 2.647 592 HA PHE 74 HA PHE 74 -4.557 -7.860 0.300 593 HB2 PHE 74 HB2 PHE 74 -3.412 -5.073 0.822 594 HB3 PHE 74 HB3 PHE 74 -2.905 -6.157 -0.467 595 HD1 PHE 74 HD1 PHE 74 -4.803 -6.937 -2.128 596 HD2 PHE 74 HD2 PHE 74 -5.062 -3.443 0.334 597 HE1 PHE 74 HE1 PHE 74 -6.514 -5.996 -3.625 598 HE2 PHE 74 HE2 PHE 74 -6.774 -2.510 -1.173 599 HZ PHE 74 HZ PHE 74 -7.501 -3.789 -3.152 600 H LYS 75 H LYS 75 -2.848 -9.166 0.603 601 HA LYS 75 HA LYS 75 -0.909 -8.611 2.761 602 HB2 LYS 75 HB2 LYS 75 -0.842 -11.084 3.307 603 HB3 LYS 75 HB3 LYS 75 -2.291 -10.232 3.818 604 HG2 LYS 75 HG2 LYS 75 -3.567 -11.195 1.975 605 HG3 LYS 75 HG3 LYS 75 -2.117 -11.983 1.336 606 HD2 LYS 75 HD2 LYS 75 -1.962 -13.418 3.294 607 HD3 LYS 75 HD3 LYS 75 -3.245 -12.526 4.116 608 HE2 LYS 75 HE2 LYS 75 -4.102 -14.647 3.289 609 HE3 LYS 75 HE3 LYS 75 -4.862 -13.323 2.414 610 HZ1 LYS 75 HZ1 LYS 75 -4.207 -15.170 0.978 611 HZ2 LYS 75 HZ2 LYS 75 -2.588 -14.937 1.399 612 HZ3 LYS 75 HZ3 LYS 75 -3.422 -13.736 0.554 613 H LEU 76 H LEU 76 1.164 -9.707 2.521 614 HA LEU 76 HA LEU 76 2.188 -9.475 -0.136 615 HB2 LEU 76 HB2 LEU 76 3.526 -10.726 2.300 616 HB3 LEU 76 HB3 LEU 76 4.342 -10.211 0.829 617 HG LEU 76 HG LEU 76 2.987 -8.391 2.872 618 HD11 LEU 76 HD11 LEU 76 5.924 -8.709 2.175 619 HD12 LEU 76 HD12 LEU 76 5.132 -9.244 3.659 620 HD13 LEU 76 HD13 LEU 76 5.245 -7.525 3.298 621 HD21 LEU 76 HD21 LEU 76 2.661 -7.446 0.653 622 HD22 LEU 76 HD22 LEU 76 4.378 -7.622 0.283 623 HD23 LEU 76 HD23 LEU 76 3.851 -6.497 1.539 624 H ASN 77 H ASN 77 2.956 -11.110 -1.575 625 HA ASN 77 HA ASN 77 1.821 -13.800 -1.231 626 HB2 ASN 77 HB2 ASN 77 1.704 -12.283 -3.374 627 HB3 ASN 77 HB3 ASN 77 3.353 -12.812 -3.666 628 HD21 ASN 77 HD21 ASN 77 1.117 -13.262 -5.345 629 HD22 ASN 77 HD22 ASN 77 0.876 -14.963 -5.470 630 H ARG 78 H ARG 78 4.044 -12.968 0.412 631 HA ARG 78 HA ARG 78 5.861 -13.751 1.405 632 HB2 ARG 78 HB2 ARG 78 4.651 -15.892 1.261 633 HB3 ARG 78 HB3 ARG 78 5.420 -16.222 -0.286 634 HG2 ARG 78 HG2 ARG 78 7.608 -16.389 0.785 635 HG3 ARG 78 HG3 ARG 78 6.914 -15.925 2.343 636 HD2 ARG 78 HD2 ARG 78 6.241 -18.444 0.778 637 HD3 ARG 78 HD3 ARG 78 7.282 -18.359 2.203 638 HE ARG 78 HE ARG 78 4.936 -17.282 3.067 639 HH11 ARG 78 HH11 ARG 78 5.621 -20.291 1.509 640 HH12 ARG 78 HH12 ARG 78 4.340 -21.111 2.328 641 HH21 ARG 78 HH21 ARG 78 3.312 -18.359 4.081 642 HH22 ARG 78 HH22 ARG 78 3.062 -20.040 3.766 643 H LYS 79 H LYS 79 6.614 -15.295 -1.751 644 HA LYS 79 HA LYS 79 8.822 -13.400 -2.225 645 HB2 LYS 79 HB2 LYS 79 9.711 -15.283 -0.778 646 HB3 LYS 79 HB3 LYS 79 9.270 -16.425 -2.042 647 HG2 LYS 79 HG2 LYS 79 10.854 -15.137 -3.579 648 HG3 LYS 79 HG3 LYS 79 11.402 -14.262 -2.145 649 HD2 LYS 79 HD2 LYS 79 12.240 -16.302 -1.145 650 HD3 LYS 79 HD3 LYS 79 11.490 -17.293 -2.401 651 HE2 LYS 79 HE2 LYS 79 12.986 -16.266 -4.091 652 HE3 LYS 79 HE3 LYS 79 13.748 -15.303 -2.822 653 HZ1 LYS 79 HZ1 LYS 79 13.711 -18.264 -2.915 654 HZ2 LYS 79 HZ2 LYS 79 14.529 -17.303 -1.787 655 HZ3 LYS 79 HZ3 LYS 79 15.002 -17.296 -3.410 656 H LYS 80 H LYS 80 6.165 -14.749 -3.512 657 HA LYS 80 HA LYS 80 6.849 -16.050 -5.908 658 HB2 LYS 80 HB2 LYS 80 4.542 -15.717 -4.766 659 HB3 LYS 80 HB3 LYS 80 4.426 -14.220 -5.673 660 HG2 LYS 80 HG2 LYS 80 4.809 -16.939 -6.986 661 HG3 LYS 80 HG3 LYS 80 3.221 -16.264 -6.619 662 HD2 LYS 80 HD2 LYS 80 3.713 -14.334 -8.095 663 HD3 LYS 80 HD3 LYS 80 5.288 -15.023 -8.474 664 HE2 LYS 80 HE2 LYS 80 4.225 -16.953 -9.539 665 HE3 LYS 80 HE3 LYS 80 2.628 -16.343 -9.095 666 HZ1 LYS 80 HZ1 LYS 80 4.536 -14.884 -10.822 667 HZ2 LYS 80 HZ2 LYS 80 2.926 -14.478 -10.511 668 HZ3 LYS 80 HZ3 LYS 80 3.294 -15.867 -11.402 669 H LEU 81 H LEU 81 6.877 -12.630 -5.184 670 HA LEU 81 HA LEU 81 7.259 -11.311 -7.577 671 HB2 LEU 81 HB2 LEU 81 7.305 -10.520 -5.061 672 HB3 LEU 81 HB3 LEU 81 9.027 -10.808 -5.151 673 HG LEU 81 HG LEU 81 7.450 -8.731 -6.741 674 HD11 LEU 81 HD11 LEU 81 8.701 -7.087 -5.380 675 HD12 LEU 81 HD12 LEU 81 9.454 -8.407 -4.478 676 HD13 LEU 81 HD13 LEU 81 7.710 -8.154 -4.382 677 HD21 LEU 81 HD21 LEU 81 10.459 -9.211 -6.798 678 HD22 LEU 81 HD22 LEU 81 9.617 -7.859 -7.563 679 HD23 LEU 81 HD23 LEU 81 9.339 -9.504 -8.129 680 H GLU 82 H GLU 82 9.868 -12.734 -5.567 681 HA GLU 82 HA GLU 82 11.926 -13.536 -5.876 682 HB2 GLU 82 HB2 GLU 82 10.831 -14.302 -8.600 683 HB3 GLU 82 HB3 GLU 82 12.421 -14.807 -8.027 684 HG2 GLU 82 HG2 GLU 82 11.319 -15.906 -6.062 685 HG3 GLU 82 HG3 GLU 82 9.749 -15.484 -6.746 686 H GLY 83 H GLY 83 11.485 -12.198 -9.196 687 HA2 GLY 83 HA2 GLY 83 14.119 -10.926 -9.100 688 HA3 GLY 83 HA3 GLY 83 13.034 -11.015 -10.476 Start of MODEL 18 1 H1 SER 1 H1 SER 1 22.834 -4.512 -2.711 2 H2 SER 1 H2 SER 1 23.597 -3.050 -2.333 3 H3 SER 1 H3 SER 1 23.108 -3.361 -3.920 4 HA SER 1 HA SER 1 21.307 -3.067 -1.591 5 HB2 SER 1 HB2 SER 1 22.313 -0.902 -2.187 6 HB3 SER 1 HB3 SER 1 21.881 -1.134 -3.881 7 HG SER 1 HG SER 1 20.304 -0.378 -1.717 8 H HIS 2 H HIS 2 19.023 -2.779 -2.257 9 HA HIS 2 HA HIS 2 18.195 -3.774 -4.876 10 HB2 HIS 2 HB2 HIS 2 16.610 -5.474 -3.786 11 HB3 HIS 2 HB3 HIS 2 18.314 -5.902 -3.797 12 HD1 HIS 2 HD1 HIS 2 19.583 -5.772 -1.486 13 HD2 HIS 2 HD2 HIS 2 15.458 -5.313 -1.235 14 HE1 HIS 2 HE1 HIS 2 19.017 -6.079 0.940 15 HE2 HIS 2 HE2 HIS 2 16.541 -5.705 1.079 16 H MET 3 H MET 3 17.537 -1.587 -5.053 17 HA MET 3 HA MET 3 14.876 -1.039 -3.896 18 HB2 MET 3 HB2 MET 3 15.533 1.403 -3.647 19 HB3 MET 3 HB3 MET 3 16.296 0.306 -2.508 20 HG2 MET 3 HG2 MET 3 18.386 0.404 -3.737 21 HG3 MET 3 HG3 MET 3 17.635 1.377 -5.003 22 HE1 MET 3 HE1 MET 3 19.999 4.020 -3.366 23 HE2 MET 3 HE2 MET 3 19.483 3.253 -4.868 24 HE3 MET 3 HE3 MET 3 20.349 2.314 -3.650 25 H GLN 4 H GLN 4 13.865 -1.583 -5.780 26 HA GLN 4 HA GLN 4 14.661 -0.657 -8.392 27 HB2 GLN 4 HB2 GLN 4 12.056 -1.982 -7.524 28 HB3 GLN 4 HB3 GLN 4 12.641 -1.822 -9.180 29 HG2 GLN 4 HG2 GLN 4 14.583 -3.273 -8.607 30 HG3 GLN 4 HG3 GLN 4 13.932 -3.479 -6.980 31 HE21 GLN 4 HE21 GLN 4 11.919 -4.599 -6.760 32 HE22 GLN 4 HE22 GLN 4 11.406 -5.723 -7.957 33 HA PRO 5 HA PRO 5 12.417 3.272 -8.631 34 HB2 PRO 5 HB2 PRO 5 11.542 3.209 -11.285 35 HB3 PRO 5 HB3 PRO 5 13.169 3.675 -10.774 36 HG2 PRO 5 HG2 PRO 5 12.188 1.008 -11.783 37 HG3 PRO 5 HG3 PRO 5 13.680 1.878 -12.201 38 HD2 PRO 5 HD2 PRO 5 13.725 -0.173 -10.461 39 HD3 PRO 5 HD3 PRO 5 14.754 1.256 -10.197 40 H GLY 6 H GLY 6 10.734 2.906 -7.215 41 HA2 GLY 6 HA2 GLY 6 8.113 3.150 -7.904 42 HA3 GLY 6 HA3 GLY 6 8.341 1.404 -7.856 43 H LYS 7 H LYS 7 9.146 4.287 -5.905 44 HA LYS 7 HA LYS 7 9.668 2.909 -3.507 45 HB2 LYS 7 HB2 LYS 7 9.672 5.145 -2.429 46 HB3 LYS 7 HB3 LYS 7 10.613 5.097 -3.915 47 HG2 LYS 7 HG2 LYS 7 8.733 6.190 -5.123 48 HG3 LYS 7 HG3 LYS 7 7.830 6.282 -3.605 49 HD2 LYS 7 HD2 LYS 7 9.642 7.708 -2.648 50 HD3 LYS 7 HD3 LYS 7 10.500 7.638 -4.193 51 HE2 LYS 7 HE2 LYS 7 7.732 8.831 -3.764 52 HE3 LYS 7 HE3 LYS 7 9.229 9.750 -3.925 53 HZ1 LYS 7 HZ1 LYS 7 7.943 9.640 -5.989 54 HZ2 LYS 7 HZ2 LYS 7 8.121 7.961 -6.017 55 HZ3 LYS 7 HZ3 LYS 7 9.478 8.955 -6.159 56 H TYR 8 H TYR 8 6.567 4.079 -4.750 57 HA TYR 8 HA TYR 8 5.160 3.952 -2.234 58 HB2 TYR 8 HB2 TYR 8 4.163 4.092 -5.102 59 HB3 TYR 8 HB3 TYR 8 3.065 3.985 -3.729 60 HD1 TYR 8 HD1 TYR 8 2.795 5.890 -2.176 61 HD2 TYR 8 HD2 TYR 8 5.446 6.164 -5.519 62 HE1 TYR 8 HE1 TYR 8 2.906 8.324 -1.885 63 HE2 TYR 8 HE2 TYR 8 5.556 8.601 -5.223 64 HH TYR 8 HH TYR 8 4.482 10.182 -2.448 65 H SER 9 H SER 9 5.555 1.677 -4.974 66 HA SER 9 HA SER 9 3.860 -0.374 -3.930 67 HB2 SER 9 HB2 SER 9 4.853 -1.851 -5.609 68 HB3 SER 9 HB3 SER 9 4.576 -0.270 -6.330 69 HG SER 9 HG SER 9 6.711 0.122 -6.337 70 H GLN 10 H GLN 10 7.348 0.248 -3.663 71 HA GLN 10 HA GLN 10 8.075 -1.978 -2.064 72 HB2 GLN 10 HB2 GLN 10 9.339 0.798 -2.144 73 HB3 GLN 10 HB3 GLN 10 10.085 -0.640 -1.448 74 HG2 GLN 10 HG2 GLN 10 9.400 -0.218 -4.377 75 HG3 GLN 10 HG3 GLN 10 11.009 -0.129 -3.665 76 HE21 GLN 10 HE21 GLN 10 9.953 -1.878 -5.804 77 HE22 GLN 10 HE22 GLN 10 10.242 -3.497 -5.282 78 H LEU 11 H LEU 11 6.842 1.249 -1.249 79 HA LEU 11 HA LEU 11 7.009 1.151 1.556 80 HB2 LEU 11 HB2 LEU 11 6.535 3.231 0.340 81 HB3 LEU 11 HB3 LEU 11 4.999 2.590 -0.216 82 HG LEU 11 HG LEU 11 4.195 2.547 2.179 83 HD11 LEU 11 HD11 LEU 11 6.777 4.021 2.791 84 HD12 LEU 11 HD12 LEU 11 6.346 2.395 3.329 85 HD13 LEU 11 HD13 LEU 11 5.426 3.782 3.904 86 HD21 LEU 11 HD21 LEU 11 3.797 4.965 2.361 87 HD22 LEU 11 HD22 LEU 11 3.590 4.408 0.703 88 HD23 LEU 11 HD23 LEU 11 5.056 5.277 1.162 89 H VAL 12 H VAL 12 4.330 0.152 -0.630 90 HA VAL 12 HA VAL 12 2.466 -0.628 1.348 91 HB VAL 12 HB VAL 12 2.759 -1.730 -1.484 92 HG11 VAL 12 HG11 VAL 12 0.387 -1.940 0.425 93 HG12 VAL 12 HG12 VAL 12 1.429 -3.272 -0.085 94 HG13 VAL 12 HG13 VAL 12 0.397 -2.463 -1.260 95 HG21 VAL 12 HG21 VAL 12 0.938 0.482 -0.442 96 HG22 VAL 12 HG22 VAL 12 0.990 -0.122 -2.103 97 HG23 VAL 12 HG23 VAL 12 2.382 0.723 -1.425 98 H VAL 13 H VAL 13 4.986 -2.514 -0.329 99 HA VAL 13 HA VAL 13 4.598 -5.028 0.848 100 HB VAL 13 HB VAL 13 7.180 -3.698 -0.088 101 HG11 VAL 13 HG11 VAL 13 6.757 -6.628 0.646 102 HG12 VAL 13 HG12 VAL 13 7.781 -5.476 1.507 103 HG13 VAL 13 HG13 VAL 13 8.198 -5.969 -0.132 104 HG21 VAL 13 HG21 VAL 13 6.891 -5.109 -2.112 105 HG22 VAL 13 HG22 VAL 13 5.504 -4.046 -1.874 106 HG23 VAL 13 HG23 VAL 13 5.385 -5.755 -1.450 107 H GLU 14 H GLU 14 6.617 -2.301 1.975 108 HA GLU 14 HA GLU 14 7.481 -3.489 4.423 109 HB2 GLU 14 HB2 GLU 14 7.388 -0.570 3.556 110 HB3 GLU 14 HB3 GLU 14 8.186 -1.148 5.021 111 HG2 GLU 14 HG2 GLU 14 9.689 -2.542 3.631 112 HG3 GLU 14 HG3 GLU 14 8.915 -1.909 2.178 113 H THR 15 H THR 15 4.572 -1.787 3.531 114 HA THR 15 HA THR 15 3.713 -0.989 6.161 115 HB THR 15 HB THR 15 2.242 -1.165 3.496 116 HG1 THR 15 HG1 THR 15 3.298 0.664 3.327 117 HG21 THR 15 HG21 THR 15 1.162 -0.098 6.125 118 HG22 THR 15 HG22 THR 15 0.547 -1.490 5.233 119 HG23 THR 15 HG23 THR 15 0.403 0.131 4.553 120 H ILE 16 H ILE 16 2.751 -3.635 3.950 121 HA ILE 16 HA ILE 16 1.022 -4.943 5.815 122 HB ILE 16 HB ILE 16 2.402 -6.115 3.352 123 HG12 ILE 16 HG12 ILE 16 -0.367 -4.828 3.589 124 HG13 ILE 16 HG13 ILE 16 1.034 -4.064 2.850 125 HG21 ILE 16 HG21 ILE 16 -0.072 -7.096 4.843 126 HG22 ILE 16 HG22 ILE 16 1.512 -7.874 4.850 127 HG23 ILE 16 HG23 ILE 16 0.580 -7.793 3.357 128 HD11 ILE 16 HD11 ILE 16 -0.366 -6.540 1.850 129 HD12 ILE 16 HD12 ILE 16 1.045 -5.783 1.108 130 HD13 ILE 16 HD13 ILE 16 -0.487 -4.915 1.181 131 H ARG 17 H ARG 17 4.479 -5.120 5.128 132 HA ARG 17 HA ARG 17 5.156 -7.407 6.657 133 HB2 ARG 17 HB2 ARG 17 6.710 -6.474 5.016 134 HB3 ARG 17 HB3 ARG 17 6.840 -4.976 5.933 135 HG2 ARG 17 HG2 ARG 17 7.919 -6.206 7.796 136 HG3 ARG 17 HG3 ARG 17 7.775 -7.709 6.881 137 HD2 ARG 17 HD2 ARG 17 9.287 -6.844 5.168 138 HD3 ARG 17 HD3 ARG 17 9.367 -5.281 5.994 139 HE ARG 17 HE ARG 17 10.222 -6.877 7.930 140 HH11 ARG 17 HH11 ARG 17 11.173 -6.886 4.609 141 HH12 ARG 17 HH12 ARG 17 12.755 -7.470 4.971 142 HH21 ARG 17 HH21 ARG 17 12.238 -7.613 8.350 143 HH22 ARG 17 HH22 ARG 17 13.343 -7.886 7.049 144 H ARG 18 H ARG 18 5.227 -3.901 7.599 145 HA ARG 18 HA ARG 18 6.076 -4.340 10.280 146 HB2 ARG 18 HB2 ARG 18 5.274 -2.013 10.761 147 HB3 ARG 18 HB3 ARG 18 6.341 -2.121 9.368 148 HG2 ARG 18 HG2 ARG 18 4.516 -1.842 7.838 149 HG3 ARG 18 HG3 ARG 18 3.321 -2.026 9.119 150 HD2 ARG 18 HD2 ARG 18 5.321 0.256 9.110 151 HD3 ARG 18 HD3 ARG 18 3.783 0.350 8.246 152 HE ARG 18 HE ARG 18 2.665 -0.018 10.399 153 HH11 ARG 18 HH11 ARG 18 5.932 1.117 10.579 154 HH12 ARG 18 HH12 ARG 18 5.672 1.862 12.115 155 HH21 ARG 18 HH21 ARG 18 2.366 0.947 12.314 156 HH22 ARG 18 HH22 ARG 18 3.676 1.785 13.079 157 H LEU 19 H LEU 19 2.888 -4.444 8.816 158 HA LEU 19 HA LEU 19 1.441 -4.773 11.298 159 HB2 LEU 19 HB2 LEU 19 0.678 -5.341 8.405 160 HB3 LEU 19 HB3 LEU 19 -0.436 -5.494 9.761 161 HG LEU 19 HG LEU 19 0.925 -2.900 8.905 162 HD11 LEU 19 HD11 LEU 19 -1.295 -2.160 8.151 163 HD12 LEU 19 HD12 LEU 19 -1.959 -3.758 8.506 164 HD13 LEU 19 HD13 LEU 19 -0.733 -3.567 7.249 165 HD21 LEU 19 HD21 LEU 19 -1.171 -3.390 11.049 166 HD22 LEU 19 HD22 LEU 19 -0.575 -1.808 10.534 167 HD23 LEU 19 HD23 LEU 19 0.518 -2.949 11.313 168 H GLY 20 H GLY 20 3.064 -6.887 9.001 169 HA2 GLY 20 HA2 GLY 20 3.530 -9.133 8.944 170 HA3 GLY 20 HA3 GLY 20 3.299 -9.125 10.687 171 H GLU 21 H GLU 21 0.916 -8.386 8.163 172 HA GLU 21 HA GLU 21 -1.145 -9.734 9.519 173 HB2 GLU 21 HB2 GLU 21 -0.961 -8.037 7.152 174 HB3 GLU 21 HB3 GLU 21 -2.063 -9.365 6.835 175 HG2 GLU 21 HG2 GLU 21 -2.257 -7.341 9.080 176 HG3 GLU 21 HG3 GLU 21 -3.308 -7.478 7.675 177 H ARG 22 H ARG 22 -2.397 -11.511 9.035 178 HA ARG 22 HA ARG 22 -0.925 -13.732 7.735 179 HB2 ARG 22 HB2 ARG 22 -2.971 -13.882 9.991 180 HB3 ARG 22 HB3 ARG 22 -2.005 -15.216 9.362 181 HG2 ARG 22 HG2 ARG 22 -0.902 -12.768 10.794 182 HG3 ARG 22 HG3 ARG 22 -1.143 -14.359 11.522 183 HD2 ARG 22 HD2 ARG 22 0.538 -15.342 10.080 184 HD3 ARG 22 HD3 ARG 22 0.680 -13.853 9.143 185 HE ARG 22 HE ARG 22 1.342 -13.012 11.604 186 HH11 ARG 22 HH11 ARG 22 2.482 -15.782 9.856 187 HH12 ARG 22 HH12 ARG 22 4.067 -15.667 10.531 188 HH21 ARG 22 HH21 ARG 22 3.382 -12.904 12.423 189 HH22 ARG 22 HH22 ARG 22 4.572 -14.059 11.940 190 H ASN 23 H ASN 23 -4.120 -12.187 8.020 191 HA ASN 23 HA ASN 23 -5.208 -14.006 5.939 192 HB2 ASN 23 HB2 ASN 23 -7.463 -13.182 6.639 193 HB3 ASN 23 HB3 ASN 23 -6.588 -13.971 7.946 194 HD21 ASN 23 HD21 ASN 23 -5.758 -12.686 9.643 195 HD22 ASN 23 HD22 ASN 23 -6.341 -11.089 9.936 196 H GLY 24 H GLY 24 -4.687 -10.559 6.677 197 HA2 GLY 24 HA2 GLY 24 -3.955 -9.509 4.366 198 HA3 GLY 24 HA3 GLY 24 -5.673 -9.707 4.037 199 H SER 25 H SER 25 -3.795 -7.294 4.489 200 HA SER 25 HA SER 25 -5.141 -5.916 6.726 201 HB2 SER 25 HB2 SER 25 -3.320 -4.200 6.452 202 HB3 SER 25 HB3 SER 25 -2.704 -5.809 6.808 203 HG SER 25 HG SER 25 -2.922 -5.300 4.117 204 H SER 26 H SER 26 -6.714 -4.494 6.326 205 HA SER 26 HA SER 26 -7.976 -3.926 3.944 206 HB2 SER 26 HB2 SER 26 -9.063 -3.483 6.055 207 HB3 SER 26 HB3 SER 26 -7.845 -2.294 6.509 208 HG SER 26 HG SER 26 -10.118 -1.911 5.204 209 H LEU 27 H LEU 27 -8.019 -2.195 2.433 210 HA LEU 27 HA LEU 27 -5.656 -0.812 1.754 211 HB2 LEU 27 HB2 LEU 27 -7.437 -1.231 0.124 212 HB3 LEU 27 HB3 LEU 27 -8.550 -0.216 1.021 213 HG LEU 27 HG LEU 27 -7.230 1.801 0.432 214 HD11 LEU 27 HD11 LEU 27 -5.429 -0.048 -1.164 215 HD12 LEU 27 HD12 LEU 27 -4.988 0.842 0.297 216 HD13 LEU 27 HD13 LEU 27 -5.378 1.719 -1.180 217 HD21 LEU 27 HD21 LEU 27 -9.059 1.142 -1.064 218 HD22 LEU 27 HD22 LEU 27 -7.952 0.148 -2.015 219 HD23 LEU 27 HD23 LEU 27 -7.751 1.902 -1.971 220 H ALA 28 H ALA 28 -8.397 0.144 3.768 221 HA ALA 28 HA ALA 28 -7.677 2.847 4.292 222 HB1 ALA 28 HB1 ALA 28 -9.241 2.667 6.201 223 HB2 ALA 28 HB2 ALA 28 -9.289 0.912 6.002 224 HB3 ALA 28 HB3 ALA 28 -9.932 1.960 4.738 225 H LYS 29 H LYS 29 -6.820 -0.230 5.873 226 HA LYS 29 HA LYS 29 -5.393 0.935 8.085 227 HB2 LYS 29 HB2 LYS 29 -6.509 -1.357 8.097 228 HB3 LYS 29 HB3 LYS 29 -5.200 -1.940 7.079 229 HG2 LYS 29 HG2 LYS 29 -4.797 -2.548 9.410 230 HG3 LYS 29 HG3 LYS 29 -3.565 -1.402 8.863 231 HD2 LYS 29 HD2 LYS 29 -4.799 0.448 9.984 232 HD3 LYS 29 HD3 LYS 29 -6.023 -0.701 10.536 233 HE2 LYS 29 HE2 LYS 29 -4.460 -0.199 12.339 234 HE3 LYS 29 HE3 LYS 29 -4.282 -1.882 11.851 235 HZ1 LYS 29 HZ1 LYS 29 -2.353 -1.244 10.540 236 HZ2 LYS 29 HZ2 LYS 29 -2.149 -0.846 12.166 237 HZ3 LYS 29 HZ3 LYS 29 -2.516 0.360 11.045 238 H ILE 30 H ILE 30 -4.480 -0.322 4.918 239 HA ILE 30 HA ILE 30 -1.657 -0.200 5.160 240 HB ILE 30 HB ILE 30 -3.486 -0.144 2.718 241 HG12 ILE 30 HG12 ILE 30 -1.670 -2.335 3.832 242 HG13 ILE 30 HG13 ILE 30 -3.418 -2.274 4.019 243 HG21 ILE 30 HG21 ILE 30 -0.443 -0.289 2.677 244 HG22 ILE 30 HG22 ILE 30 -1.431 1.034 2.056 245 HG23 ILE 30 HG23 ILE 30 -1.494 -0.548 1.282 246 HD11 ILE 30 HD11 ILE 30 -3.673 -2.533 1.590 247 HD12 ILE 30 HD12 ILE 30 -2.781 -3.867 2.323 248 HD13 ILE 30 HD13 ILE 30 -1.915 -2.621 1.425 249 H TYR 31 H TYR 31 -4.094 2.100 3.964 250 HA TYR 31 HA TYR 31 -2.429 4.280 3.381 251 HB2 TYR 31 HB2 TYR 31 -4.832 4.118 2.715 252 HB3 TYR 31 HB3 TYR 31 -5.309 4.332 4.396 253 HD1 TYR 31 HD2 TYR 31 -3.915 6.019 1.413 254 HD2 TYR 31 HD1 TYR 31 -5.205 6.568 5.451 255 HE1 TYR 31 HE2 TYR 31 -3.892 8.450 1.086 256 HE2 TYR 31 HE1 TYR 31 -5.164 9.005 5.131 257 HH TYR 31 HH TYR 31 -4.066 10.657 3.682 258 H THR 32 H THR 32 -3.990 3.298 6.429 259 HA THR 32 HA THR 32 -3.432 5.473 8.064 260 HB THR 32 HB THR 32 -3.610 2.531 8.848 261 HG1 THR 32 HG1 THR 32 -5.659 2.892 8.519 262 HG21 THR 32 HG21 THR 32 -4.126 3.320 11.145 263 HG22 THR 32 HG22 THR 32 -3.774 4.978 10.653 264 HG23 THR 32 HG23 THR 32 -2.487 3.770 10.670 265 H GLU 33 H GLU 33 -1.326 2.653 7.434 266 HA GLU 33 HA GLU 33 0.789 3.560 9.189 267 HB2 GLU 33 HB2 GLU 33 1.085 1.497 6.973 268 HB3 GLU 33 HB3 GLU 33 2.036 1.642 8.449 269 HG2 GLU 33 HG2 GLU 33 -0.855 0.741 8.223 270 HG3 GLU 33 HG3 GLU 33 0.538 -0.280 8.559 271 H ALA 34 H ALA 34 0.140 3.647 5.715 272 HA ALA 34 HA ALA 34 2.727 4.536 4.869 273 HB1 ALA 34 HB1 ALA 34 1.264 3.202 3.420 274 HB2 ALA 34 HB2 ALA 34 1.697 4.727 2.647 275 HB3 ALA 34 HB3 ALA 34 0.095 4.523 3.362 276 H LYS 35 H LYS 35 -0.125 6.286 5.957 277 HA LYS 35 HA LYS 35 0.454 8.752 4.579 278 HB2 LYS 35 HB2 LYS 35 -1.357 9.753 5.864 279 HB3 LYS 35 HB3 LYS 35 -1.851 8.183 5.243 280 HG2 LYS 35 HG2 LYS 35 -1.488 7.191 7.489 281 HG3 LYS 35 HG3 LYS 35 -1.025 8.782 8.106 282 HD2 LYS 35 HD2 LYS 35 -3.277 9.657 7.592 283 HD3 LYS 35 HD3 LYS 35 -3.745 8.100 6.901 284 HE2 LYS 35 HE2 LYS 35 -3.451 7.048 9.131 285 HE3 LYS 35 HE3 LYS 35 -3.029 8.622 9.810 286 HZ1 LYS 35 HZ1 LYS 35 -5.354 8.023 10.187 287 HZ2 LYS 35 HZ2 LYS 35 -5.622 7.958 8.523 288 HZ3 LYS 35 HZ3 LYS 35 -5.217 9.428 9.257 289 H LYS 36 H LYS 36 1.941 7.333 7.229 290 HA LYS 36 HA LYS 36 2.559 9.818 8.682 291 HB2 LYS 36 HB2 LYS 36 3.083 6.894 9.370 292 HB3 LYS 36 HB3 LYS 36 3.397 8.262 10.441 293 HG2 LYS 36 HG2 LYS 36 1.039 8.767 10.617 294 HG3 LYS 36 HG3 LYS 36 0.641 7.610 9.341 295 HD2 LYS 36 HD2 LYS 36 1.362 5.746 10.799 296 HD3 LYS 36 HD3 LYS 36 1.777 6.896 12.075 297 HE2 LYS 36 HE2 LYS 36 -0.578 7.576 12.254 298 HE3 LYS 36 HE3 LYS 36 -1.011 6.493 10.927 299 HZ1 LYS 36 HZ1 LYS 36 -1.525 5.512 13.040 300 HZ2 LYS 36 HZ2 LYS 36 0.072 5.682 13.567 301 HZ3 LYS 36 HZ3 LYS 36 -0.292 4.630 12.295 302 H VAL 37 H VAL 37 3.993 8.373 6.071 303 HA VAL 37 HA VAL 37 6.789 8.586 6.980 304 HB VAL 37 HB VAL 37 6.377 8.200 4.036 305 HG11 VAL 37 HG11 VAL 37 8.005 6.630 6.060 306 HG12 VAL 37 HG12 VAL 37 8.588 7.952 5.048 307 HG13 VAL 37 HG13 VAL 37 8.068 6.441 4.302 308 HG21 VAL 37 HG21 VAL 37 4.425 6.943 4.835 309 HG22 VAL 37 HG22 VAL 37 5.452 5.990 5.904 310 HG23 VAL 37 HG23 VAL 37 5.640 5.865 4.151 311 HA PRO 38 HA PRO 38 7.025 12.930 5.976 312 HB2 PRO 38 HB2 PRO 38 9.726 13.278 5.523 313 HB3 PRO 38 HB3 PRO 38 9.029 13.031 7.129 314 HG2 PRO 38 HG2 PRO 38 10.282 10.995 5.279 315 HG3 PRO 38 HG3 PRO 38 10.582 11.253 7.012 316 HD2 PRO 38 HD2 PRO 38 8.950 9.291 6.189 317 HD3 PRO 38 HD3 PRO 38 8.549 10.230 7.644 318 H TRP 39 H TRP 39 8.065 10.636 3.521 319 HA TRP 39 HA TRP 39 8.227 12.733 1.441 320 HB2 TRP 39 HB2 TRP 39 9.075 10.942 -0.056 321 HB3 TRP 39 HB3 TRP 39 10.047 11.124 1.396 322 HD1 TRP 39 HD1 TRP 39 10.202 9.033 3.036 323 HE1 TRP 39 HE1 TRP 39 9.558 6.565 2.786 324 HE3 TRP 39 HE3 TRP 39 7.184 9.361 -1.094 325 HZ2 TRP 39 HZ2 TRP 39 7.994 4.961 1.105 326 HZ3 TRP 39 HZ3 TRP 39 6.146 7.300 -1.951 327 HH2 TRP 39 HH2 TRP 39 6.543 5.145 -0.872 328 H PHE 40 H PHE 40 5.936 10.523 2.680 329 HA PHE 40 HA PHE 40 4.525 9.896 0.264 330 HB2 PHE 40 HB2 PHE 40 4.473 8.472 2.313 331 HB3 PHE 40 HB3 PHE 40 3.587 9.734 3.164 332 HD1 PHE 40 HD2 PHE 40 3.396 7.293 0.373 333 HD2 PHE 40 HD1 PHE 40 1.189 9.957 2.878 334 HE1 PHE 40 HE2 PHE 40 1.290 6.341 -0.447 335 HE2 PHE 40 HE1 PHE 40 -0.913 8.991 2.053 336 HZ PHE 40 HZ PHE 40 -0.863 7.186 0.390 337 H ASP 41 H ASP 41 2.878 10.939 -0.704 338 HA ASP 41 HA ASP 41 2.107 13.634 0.168 339 HB2 ASP 41 HB2 ASP 41 2.797 13.370 -2.168 340 HB3 ASP 41 HB3 ASP 41 1.600 12.103 -2.419 341 H GLN 42 H GLN 42 0.069 14.186 0.874 342 HA GLN 42 HA GLN 42 -1.783 12.035 1.585 343 HB2 GLN 42 HB2 GLN 42 -1.771 15.001 2.268 344 HB3 GLN 42 HB3 GLN 42 -3.013 13.882 2.818 345 HG2 GLN 42 HG2 GLN 42 -0.059 13.757 3.517 346 HG3 GLN 42 HG3 GLN 42 -1.368 14.288 4.578 347 HE21 GLN 42 HE21 GLN 42 0.159 11.541 3.080 348 HE22 GLN 42 HE22 GLN 42 -0.646 10.332 4.003 349 H GLN 43 H GLN 43 -1.527 14.388 -0.940 350 HA GLN 43 HA GLN 43 -4.389 14.580 -1.470 351 HB2 GLN 43 HB2 GLN 43 -2.042 15.495 -3.195 352 HB3 GLN 43 HB3 GLN 43 -3.736 15.948 -3.409 353 HG2 GLN 43 HG2 GLN 43 -3.698 17.111 -1.233 354 HG3 GLN 43 HG3 GLN 43 -2.004 16.660 -1.019 355 HE21 GLN 43 HE21 GLN 43 -3.184 19.324 -1.141 356 HE22 GLN 43 HE22 GLN 43 -2.397 20.139 -2.443 357 H ASN 44 H ASN 44 -1.800 13.673 -3.738 358 HA ASN 44 HA ASN 44 -3.556 11.946 -5.274 359 HB2 ASN 44 HB2 ASN 44 -0.593 12.558 -5.696 360 HB3 ASN 44 HB3 ASN 44 -1.703 11.874 -6.882 361 HD21 ASN 44 HD21 ASN 44 -0.763 14.779 -5.178 362 HD22 ASN 44 HD22 ASN 44 -1.615 15.883 -6.197 363 H GLY 45 H GLY 45 -1.294 11.529 -2.715 364 HA2 GLY 45 HA2 GLY 45 -0.014 9.108 -3.299 365 HA3 GLY 45 HA3 GLY 45 -0.283 9.761 -1.696 366 H ARG 46 H ARG 46 -3.274 9.599 -2.022 367 HA ARG 46 HA ARG 46 -3.744 6.971 -1.035 368 HB2 ARG 46 HB2 ARG 46 -5.133 9.089 -0.607 369 HB3 ARG 46 HB3 ARG 46 -5.854 8.850 -2.190 370 HG2 ARG 46 HG2 ARG 46 -5.992 6.705 -0.046 371 HG3 ARG 46 HG3 ARG 46 -7.145 8.033 -0.088 372 HD2 ARG 46 HD2 ARG 46 -7.790 7.338 -2.388 373 HD3 ARG 46 HD3 ARG 46 -6.704 5.956 -2.259 374 HE ARG 46 HE ARG 46 -8.508 5.951 -0.082 375 HH11 ARG 46 HH11 ARG 46 -8.485 5.284 -3.475 376 HH12 ARG 46 HH12 ARG 46 -9.846 4.225 -3.371 377 HH21 ARG 46 HH21 ARG 46 -10.208 4.582 0.016 378 HH22 ARG 46 HH22 ARG 46 -10.799 3.821 -1.418 379 H THR 47 H THR 47 -4.349 8.484 -4.207 380 HA THR 47 HA THR 47 -5.280 6.148 -5.558 381 HB THR 47 HB THR 47 -4.034 8.688 -6.712 382 HG1 THR 47 HG1 THR 47 -6.191 8.571 -5.450 383 HG21 THR 47 HG21 THR 47 -5.659 6.543 -8.148 384 HG22 THR 47 HG22 THR 47 -3.942 6.865 -8.393 385 HG23 THR 47 HG23 THR 47 -5.137 8.078 -8.850 386 H TYR 48 H TYR 48 -2.048 7.525 -4.997 387 HA TYR 48 HA TYR 48 -0.594 5.797 -6.724 388 HB2 TYR 48 HB2 TYR 48 0.329 7.320 -4.254 389 HB3 TYR 48 HB3 TYR 48 1.421 6.425 -5.306 390 HD1 TYR 48 HD1 TYR 48 -0.309 7.351 -7.887 391 HD2 TYR 48 HD2 TYR 48 1.660 9.378 -4.672 392 HE1 TYR 48 HE1 TYR 48 -0.011 9.326 -9.308 393 HE2 TYR 48 HE2 TYR 48 1.946 11.356 -6.099 394 HH TYR 48 HH TYR 48 0.330 11.716 -9.089 395 H LEU 49 H LEU 49 -1.608 5.411 -3.307 396 HA LEU 49 HA LEU 49 -0.310 2.897 -2.885 397 HB2 LEU 49 HB2 LEU 49 -2.772 4.093 -1.560 398 HB3 LEU 49 HB3 LEU 49 -2.056 2.563 -1.066 399 HG LEU 49 HG LEU 49 -0.760 5.307 -0.885 400 HD11 LEU 49 HD11 LEU 49 -2.477 4.909 0.811 401 HD12 LEU 49 HD12 LEU 49 -0.874 4.949 1.536 402 HD13 LEU 49 HD13 LEU 49 -1.688 3.402 1.291 403 HD21 LEU 49 HD21 LEU 49 0.430 2.607 -0.128 404 HD22 LEU 49 HD22 LEU 49 1.148 4.185 0.213 405 HD23 LEU 49 HD23 LEU 49 0.960 3.649 -1.453 406 H LYS 50 H LYS 50 -3.689 3.721 -3.720 407 HA LYS 50 HA LYS 50 -4.786 1.195 -4.004 408 HB2 LYS 50 HB2 LYS 50 -6.004 3.390 -3.962 409 HB3 LYS 50 HB3 LYS 50 -5.478 3.705 -5.606 410 HG2 LYS 50 HG2 LYS 50 -7.161 1.273 -4.935 411 HG3 LYS 50 HG3 LYS 50 -7.902 2.855 -5.182 412 HD2 LYS 50 HD2 LYS 50 -6.910 2.928 -7.480 413 HD3 LYS 50 HD3 LYS 50 -6.231 1.320 -7.218 414 HE2 LYS 50 HE2 LYS 50 -9.181 2.032 -7.300 415 HE3 LYS 50 HE3 LYS 50 -8.276 1.166 -8.540 416 HZ1 LYS 50 HZ1 LYS 50 -7.832 -0.562 -6.816 417 HZ2 LYS 50 HZ2 LYS 50 -9.456 -0.421 -7.261 418 HZ3 LYS 50 HZ3 LYS 50 -8.926 0.229 -5.797 419 H TYR 51 H TYR 51 -3.061 3.109 -6.459 420 HA TYR 51 HA TYR 51 -3.442 1.171 -8.560 421 HB2 TYR 51 HB2 TYR 51 -2.578 3.952 -8.443 422 HB3 TYR 51 HB3 TYR 51 -1.410 3.040 -9.383 423 HD1 TYR 51 HD1 TYR 51 -2.452 1.394 -11.191 424 HD2 TYR 51 HD2 TYR 51 -4.500 4.787 -9.581 425 HE1 TYR 51 HE1 TYR 51 -3.936 1.415 -13.142 426 HE2 TYR 51 HE2 TYR 51 -5.986 4.811 -11.541 427 HH TYR 51 HH TYR 51 -5.989 4.035 -13.868 428 H SER 52 H SER 52 -0.700 2.048 -6.422 429 HA SER 52 HA SER 52 1.243 0.383 -7.685 430 HB2 SER 52 HB2 SER 52 2.581 0.565 -5.637 431 HB3 SER 52 HB3 SER 52 1.887 2.136 -6.024 432 HG SER 52 HG SER 52 0.689 2.051 -4.277 433 H ILE 53 H ILE 53 -1.004 -0.189 -5.022 434 HA ILE 53 HA ILE 53 -0.432 -2.851 -4.397 435 HB ILE 53 HB ILE 53 -3.036 -1.285 -4.203 436 HG12 ILE 53 HG12 ILE 53 -0.981 -2.112 -2.108 437 HG13 ILE 53 HG13 ILE 53 -1.211 -0.491 -2.742 438 HG21 ILE 53 HG21 ILE 53 -3.646 -3.650 -4.371 439 HG22 ILE 53 HG22 ILE 53 -3.917 -3.069 -2.731 440 HG23 ILE 53 HG23 ILE 53 -2.504 -4.060 -3.090 441 HD11 ILE 53 HD11 ILE 53 -2.148 -0.685 -0.537 442 HD12 ILE 53 HD12 ILE 53 -3.160 -2.037 -1.040 443 HD13 ILE 53 HD13 ILE 53 -3.440 -0.427 -1.708 444 H LYS 54 H LYS 54 -2.944 -1.578 -6.643 445 HA LYS 54 HA LYS 54 -3.915 -4.067 -7.545 446 HB2 LYS 54 HB2 LYS 54 -5.113 -1.897 -7.871 447 HB3 LYS 54 HB3 LYS 54 -3.897 -1.414 -9.053 448 HG2 LYS 54 HG2 LYS 54 -4.560 -3.431 -10.432 449 HG3 LYS 54 HG3 LYS 54 -5.883 -3.700 -9.293 450 HD2 LYS 54 HD2 LYS 54 -6.846 -1.504 -9.882 451 HD3 LYS 54 HD3 LYS 54 -5.492 -1.192 -10.978 452 HE2 LYS 54 HE2 LYS 54 -6.178 -3.204 -12.313 453 HE3 LYS 54 HE3 LYS 54 -7.585 -3.384 -11.262 454 HZ1 LYS 54 HZ1 LYS 54 -8.380 -1.256 -11.986 455 HZ2 LYS 54 HZ2 LYS 54 -8.069 -2.220 -13.339 456 HZ3 LYS 54 HZ3 LYS 54 -6.992 -0.991 -12.912 457 H ALA 55 H ALA 55 -1.317 -1.991 -8.774 458 HA ALA 55 HA ALA 55 -0.563 -3.487 -11.056 459 HB1 ALA 55 HB1 ALA 55 1.162 -1.680 -9.327 460 HB2 ALA 55 HB2 ALA 55 0.172 -1.165 -10.695 461 HB3 ALA 55 HB3 ALA 55 1.553 -2.233 -10.961 462 H LEU 56 H LEU 56 0.445 -3.702 -7.630 463 HA LEU 56 HA LEU 56 2.365 -5.798 -8.022 464 HB2 LEU 56 HB2 LEU 56 0.964 -4.796 -5.529 465 HB3 LEU 56 HB3 LEU 56 2.136 -6.104 -5.493 466 HG LEU 56 HG LEU 56 2.693 -3.222 -6.293 467 HD11 LEU 56 HD11 LEU 56 4.085 -3.148 -4.260 468 HD12 LEU 56 HD12 LEU 56 3.570 -4.785 -3.842 469 HD13 LEU 56 HD13 LEU 56 2.392 -3.471 -3.889 470 HD21 LEU 56 HD21 LEU 56 4.075 -4.737 -7.643 471 HD22 LEU 56 HD22 LEU 56 4.644 -5.551 -6.184 472 HD23 LEU 56 HD23 LEU 56 5.062 -3.862 -6.475 473 H VAL 57 H VAL 57 -1.146 -5.802 -7.459 474 HA VAL 57 HA VAL 57 -1.357 -8.634 -6.973 475 HB VAL 57 HB VAL 57 -3.495 -6.700 -8.000 476 HG11 VAL 57 HG11 VAL 57 -3.841 -9.512 -6.869 477 HG12 VAL 57 HG12 VAL 57 -4.103 -9.031 -8.548 478 HG13 VAL 57 HG13 VAL 57 -5.156 -8.405 -7.278 479 HG21 VAL 57 HG21 VAL 57 -2.976 -7.688 -5.162 480 HG22 VAL 57 HG22 VAL 57 -4.316 -6.650 -5.657 481 HG23 VAL 57 HG23 VAL 57 -2.658 -6.060 -5.763 482 H GLN 58 H GLN 58 -1.406 -6.550 -9.833 483 HA GLN 58 HA GLN 58 -1.834 -8.510 -11.828 484 HB2 GLN 58 HB2 GLN 58 -2.137 -6.049 -12.120 485 HB3 GLN 58 HB3 GLN 58 -0.401 -5.816 -11.998 486 HG2 GLN 58 HG2 GLN 58 -1.604 -7.548 -14.160 487 HG3 GLN 58 HG3 GLN 58 -1.523 -5.802 -14.339 488 HE21 GLN 58 HE21 GLN 58 -0.225 -7.916 -15.919 489 HE22 GLN 58 HE22 GLN 58 1.468 -7.581 -15.851 490 H ASN 59 H ASN 59 1.160 -7.259 -10.290 491 HA ASN 59 HA ASN 59 2.910 -9.070 -11.772 492 HB2 ASN 59 HB2 ASN 59 3.459 -7.114 -9.497 493 HB3 ASN 59 HB3 ASN 59 4.700 -8.180 -10.150 494 HD21 ASN 59 HD21 ASN 59 3.079 -5.210 -10.559 495 HD22 ASN 59 HD22 ASN 59 3.804 -4.759 -12.053 496 H ASP 60 H ASP 60 0.751 -9.575 -9.381 497 HA ASP 60 HA ASP 60 0.218 -11.272 -8.023 498 HB2 ASP 60 HB2 ASP 60 2.616 -12.732 -9.190 499 HB3 ASP 60 HB3 ASP 60 1.273 -13.470 -8.328 500 H THR 61 H THR 61 2.573 -9.295 -7.328 501 HA THR 61 HA THR 61 4.061 -10.470 -5.212 502 HB THR 61 HB THR 61 3.374 -7.538 -5.726 503 HG1 THR 61 HG1 THR 61 5.886 -8.679 -6.296 504 HG21 THR 61 HG21 THR 61 4.153 -7.857 -3.391 505 HG22 THR 61 HG22 THR 61 5.347 -6.979 -4.350 506 HG23 THR 61 HG23 THR 61 5.594 -8.688 -3.987 507 H LEU 62 H LEU 62 0.950 -8.736 -5.339 508 HA LEU 62 HA LEU 62 0.489 -9.278 -2.454 509 HB2 LEU 62 HB2 LEU 62 -0.780 -7.130 -4.199 510 HB3 LEU 62 HB3 LEU 62 -1.184 -7.435 -2.512 511 HG LEU 62 HG LEU 62 1.443 -6.349 -3.597 512 HD11 LEU 62 HD11 LEU 62 0.884 -4.342 -2.325 513 HD12 LEU 62 HD12 LEU 62 -0.628 -5.076 -1.782 514 HD13 LEU 62 HD13 LEU 62 -0.382 -4.715 -3.493 515 HD21 LEU 62 HD21 LEU 62 2.211 -6.187 -1.258 516 HD22 LEU 62 HD22 LEU 62 1.970 -7.858 -1.758 517 HD23 LEU 62 HD23 LEU 62 0.776 -7.069 -0.723 518 H LEU 63 H LEU 63 -1.466 -10.085 -1.800 519 HA LEU 63 HA LEU 63 -3.191 -11.445 -3.767 520 HB2 LEU 63 HB2 LEU 63 -2.803 -11.860 -0.771 521 HB3 LEU 63 HB3 LEU 63 -4.012 -12.711 -1.720 522 HG LEU 63 HG LEU 63 -0.995 -12.933 -2.123 523 HD11 LEU 63 HD11 LEU 63 -2.911 -14.919 -0.860 524 HD12 LEU 63 HD12 LEU 63 -1.675 -13.974 -0.025 525 HD13 LEU 63 HD13 LEU 63 -1.198 -15.193 -1.204 526 HD21 LEU 63 HD21 LEU 63 -3.263 -14.465 -3.471 527 HD22 LEU 63 HD22 LEU 63 -1.535 -14.775 -3.678 528 HD23 LEU 63 HD23 LEU 63 -2.225 -13.253 -4.231 529 H GLN 64 H GLN 64 -5.073 -10.467 -4.224 530 HA GLN 64 HA GLN 64 -6.196 -8.318 -2.660 531 HB2 GLN 64 HB2 GLN 64 -6.302 -8.351 -5.150 532 HB3 GLN 64 HB3 GLN 64 -7.339 -9.773 -5.085 533 HG2 GLN 64 HG2 GLN 64 -9.061 -8.435 -3.887 534 HG3 GLN 64 HG3 GLN 64 -8.023 -7.014 -4.014 535 HE21 GLN 64 HE21 GLN 64 -9.597 -5.898 -5.197 536 HE22 GLN 64 HE22 GLN 64 -9.959 -6.278 -6.840 537 H VAL 65 H VAL 65 -6.992 -8.934 -0.755 538 HA VAL 65 HA VAL 65 -8.582 -11.377 -0.365 539 HB VAL 65 HB VAL 65 -7.486 -9.413 1.700 540 HG11 VAL 65 HG11 VAL 65 -7.961 -11.192 3.367 541 HG12 VAL 65 HG12 VAL 65 -8.702 -12.174 2.101 542 HG13 VAL 65 HG13 VAL 65 -9.433 -10.635 2.562 543 HG21 VAL 65 HG21 VAL 65 -5.645 -10.517 0.486 544 HG22 VAL 65 HG22 VAL 65 -6.338 -12.101 0.843 545 HG23 VAL 65 HG23 VAL 65 -5.723 -11.092 2.155 546 H LYS 66 H LYS 66 -10.684 -10.983 -0.946 547 HA LYS 66 HA LYS 66 -12.228 -9.070 0.628 548 HB2 LYS 66 HB2 LYS 66 -13.509 -8.499 -1.677 549 HB3 LYS 66 HB3 LYS 66 -12.142 -7.558 -1.111 550 HG2 LYS 66 HG2 LYS 66 -11.847 -7.927 -3.460 551 HG3 LYS 66 HG3 LYS 66 -10.642 -8.890 -2.601 552 HD2 LYS 66 HD2 LYS 66 -12.007 -10.926 -2.955 553 HD3 LYS 66 HD3 LYS 66 -13.236 -9.969 -3.790 554 HE2 LYS 66 HE2 LYS 66 -11.598 -9.398 -5.550 555 HE3 LYS 66 HE3 LYS 66 -10.356 -10.326 -4.706 556 HZ1 LYS 66 HZ1 LYS 66 -11.380 -11.531 -6.553 557 HZ2 LYS 66 HZ2 LYS 66 -12.876 -11.462 -5.776 558 HZ3 LYS 66 HZ3 LYS 66 -11.599 -12.323 -5.076 559 H GLY 67 H GLY 67 -14.543 -9.468 0.603 560 HA2 GLY 67 HA2 GLY 67 -16.335 -11.124 0.148 561 HA3 GLY 67 HA3 GLY 67 -15.121 -12.386 0.318 562 H THR 68 H THR 68 -13.915 -10.708 2.570 563 HA THR 68 HA THR 68 -15.485 -11.751 4.811 564 HB THR 68 HB THR 68 -13.039 -12.070 4.820 565 HG1 THR 68 HG1 THR 68 -12.846 -11.686 6.930 566 HG21 THR 68 HG21 THR 68 -12.355 -10.028 3.584 567 HG22 THR 68 HG22 THR 68 -11.460 -10.203 5.094 568 HG23 THR 68 HG23 THR 68 -12.784 -9.042 4.985 569 H GLY 69 H GLY 69 -16.268 -9.301 3.105 570 HA2 GLY 69 HA2 GLY 69 -17.839 -7.718 4.477 571 HA3 GLY 69 HA3 GLY 69 -16.297 -7.073 5.034 572 H ALA 70 H ALA 70 -17.965 -5.345 3.762 573 HA ALA 70 HA ALA 70 -17.356 -5.112 0.929 574 HB1 ALA 70 HB1 ALA 70 -18.692 -3.116 2.798 575 HB2 ALA 70 HB2 ALA 70 -19.524 -4.337 1.834 576 HB3 ALA 70 HB3 ALA 70 -18.656 -3.026 1.034 577 H ASN 71 H ASN 71 -14.978 -5.283 1.475 578 HA ASN 71 HA ASN 71 -13.654 -2.724 1.398 579 HB2 ASN 71 HB2 ASN 71 -13.953 -2.991 3.849 580 HB3 ASN 71 HB3 ASN 71 -13.189 -4.574 3.791 581 HD21 ASN 71 HD21 ASN 71 -12.661 -1.130 3.629 582 HD22 ASN 71 HD22 ASN 71 -10.945 -1.187 3.795 583 H GLY 72 H GLY 72 -11.738 -2.891 0.303 584 HA2 GLY 72 HA2 GLY 72 -10.737 -5.488 -0.594 585 HA3 GLY 72 HA3 GLY 72 -10.180 -3.902 -1.106 586 H SER 73 H SER 73 -9.727 -6.482 1.188 587 HA SER 73 HA SER 73 -7.481 -5.141 2.535 588 HB2 SER 73 HB2 SER 73 -8.635 -7.953 2.882 589 HB3 SER 73 HB3 SER 73 -7.315 -7.275 3.844 590 HG SER 73 HG SER 73 -9.745 -5.864 3.679 591 H PHE 74 H PHE 74 -5.313 -6.198 2.476 592 HA PHE 74 HA PHE 74 -4.672 -7.799 0.106 593 HB2 PHE 74 HB2 PHE 74 -3.400 -5.051 0.556 594 HB3 PHE 74 HB3 PHE 74 -3.022 -6.164 -0.752 595 HD1 PHE 74 HD1 PHE 74 -4.921 -6.726 -2.434 596 HD2 PHE 74 HD2 PHE 74 -5.089 -3.393 0.255 597 HE1 PHE 74 HE1 PHE 74 -6.645 -5.666 -3.838 598 HE2 PHE 74 HE2 PHE 74 -6.809 -2.344 -1.162 599 HZ PHE 74 HZ PHE 74 -7.589 -3.481 -3.204 600 H LYS 75 H LYS 75 -2.770 -8.983 0.331 601 HA LYS 75 HA LYS 75 -0.978 -8.487 2.629 602 HB2 LYS 75 HB2 LYS 75 -0.985 -10.932 3.204 603 HB3 LYS 75 HB3 LYS 75 -2.524 -10.136 3.508 604 HG2 LYS 75 HG2 LYS 75 -3.507 -11.103 1.527 605 HG3 LYS 75 HG3 LYS 75 -1.959 -11.767 1.012 606 HD2 LYS 75 HD2 LYS 75 -3.505 -12.600 3.500 607 HD3 LYS 75 HD3 LYS 75 -3.447 -13.499 1.981 608 HE2 LYS 75 HE2 LYS 75 -0.992 -13.777 2.271 609 HE3 LYS 75 HE3 LYS 75 -1.092 -12.925 3.814 610 HZ1 LYS 75 HZ1 LYS 75 -1.087 -15.243 4.229 611 HZ2 LYS 75 HZ2 LYS 75 -2.326 -15.524 3.116 612 HZ3 LYS 75 HZ3 LYS 75 -2.653 -14.684 4.545 613 H LEU 76 H LEU 76 1.019 -9.949 2.518 614 HA LEU 76 HA LEU 76 2.227 -9.766 -0.113 615 HB2 LEU 76 HB2 LEU 76 3.331 -10.849 2.514 616 HB3 LEU 76 HB3 LEU 76 4.284 -10.582 1.061 617 HG LEU 76 HG LEU 76 2.901 -8.386 2.669 618 HD11 LEU 76 HD11 LEU 76 5.853 -9.097 2.569 619 HD12 LEU 76 HD12 LEU 76 4.765 -9.340 3.938 620 HD13 LEU 76 HD13 LEU 76 5.143 -7.706 3.400 621 HD21 LEU 76 HD21 LEU 76 4.187 -6.816 1.267 622 HD22 LEU 76 HD22 LEU 76 3.073 -7.785 0.312 623 HD23 LEU 76 HD23 LEU 76 4.795 -8.166 0.305 624 H ASN 77 H ASN 77 2.860 -11.479 -1.471 625 HA ASN 77 HA ASN 77 1.941 -14.206 -0.932 626 HB2 ASN 77 HB2 ASN 77 3.490 -13.097 -3.311 627 HB3 ASN 77 HB3 ASN 77 2.829 -14.726 -3.201 628 HD21 ASN 77 HD21 ASN 77 1.402 -14.620 -4.865 629 HD22 ASN 77 HD22 ASN 77 0.096 -13.503 -4.964 630 H ARG 78 H ARG 78 4.401 -12.635 0.302 631 HA ARG 78 HA ARG 78 6.294 -13.137 1.411 632 HB2 ARG 78 HB2 ARG 78 6.028 -15.998 0.412 633 HB3 ARG 78 HB3 ARG 78 7.124 -15.449 1.677 634 HG2 ARG 78 HG2 ARG 78 5.258 -14.978 3.165 635 HG3 ARG 78 HG3 ARG 78 4.088 -15.312 1.880 636 HD2 ARG 78 HD2 ARG 78 4.886 -17.663 1.796 637 HD3 ARG 78 HD3 ARG 78 6.015 -17.318 3.111 638 HE ARG 78 HE ARG 78 3.206 -16.810 3.683 639 HH11 ARG 78 HH11 ARG 78 5.804 -19.073 3.926 640 HH12 ARG 78 HH12 ARG 78 5.009 -20.017 5.130 641 HH21 ARG 78 HH21 ARG 78 2.203 -18.046 5.218 642 HH22 ARG 78 HH22 ARG 78 3.007 -19.433 5.862 643 H LYS 79 H LYS 79 6.829 -15.382 -1.366 644 HA LYS 79 HA LYS 79 9.551 -14.300 -1.579 645 HB2 LYS 79 HB2 LYS 79 9.009 -16.790 -1.306 646 HB3 LYS 79 HB3 LYS 79 8.441 -16.766 -2.971 647 HG2 LYS 79 HG2 LYS 79 10.694 -16.118 -3.742 648 HG3 LYS 79 HG3 LYS 79 11.258 -16.078 -2.068 649 HD2 LYS 79 HD2 LYS 79 10.691 -18.533 -1.894 650 HD3 LYS 79 HD3 LYS 79 10.319 -18.523 -3.621 651 HE2 LYS 79 HE2 LYS 79 12.640 -17.906 -4.136 652 HE3 LYS 79 HE3 LYS 79 13.021 -17.808 -2.415 653 HZ1 LYS 79 HZ1 LYS 79 13.774 -19.881 -3.272 654 HZ2 LYS 79 HZ2 LYS 79 12.262 -20.240 -3.931 655 HZ3 LYS 79 HZ3 LYS 79 12.462 -20.189 -2.252 656 H LYS 80 H LYS 80 6.653 -13.768 -3.201 657 HA LYS 80 HA LYS 80 7.862 -13.099 -5.796 658 HB2 LYS 80 HB2 LYS 80 5.602 -14.223 -5.588 659 HB3 LYS 80 HB3 LYS 80 4.982 -12.762 -4.843 660 HG2 LYS 80 HG2 LYS 80 4.227 -12.645 -7.056 661 HG3 LYS 80 HG3 LYS 80 5.608 -11.562 -7.040 662 HD2 LYS 80 HD2 LYS 80 5.778 -14.438 -8.023 663 HD3 LYS 80 HD3 LYS 80 5.335 -13.100 -9.080 664 HE2 LYS 80 HE2 LYS 80 7.559 -12.023 -8.431 665 HE3 LYS 80 HE3 LYS 80 7.984 -13.560 -7.676 666 HZ1 LYS 80 HZ1 LYS 80 8.836 -13.351 -9.921 667 HZ2 LYS 80 HZ2 LYS 80 7.265 -13.181 -10.522 668 HZ3 LYS 80 HZ3 LYS 80 7.739 -14.634 -9.801 669 H LEU 81 H LEU 81 8.428 -11.690 -3.168 670 HA LEU 81 HA LEU 81 7.288 -9.197 -2.808 671 HB2 LEU 81 HB2 LEU 81 8.827 -10.548 -1.298 672 HB3 LEU 81 HB3 LEU 81 10.183 -9.958 -2.242 673 HG LEU 81 HG LEU 81 8.336 -7.967 -0.892 674 HD11 LEU 81 HD11 LEU 81 9.688 -8.029 1.151 675 HD12 LEU 81 HD12 LEU 81 10.598 -9.407 0.527 676 HD13 LEU 81 HD13 LEU 81 8.874 -9.569 0.876 677 HD21 LEU 81 HD21 LEU 81 11.319 -7.867 -1.518 678 HD22 LEU 81 HD22 LEU 81 10.385 -6.578 -0.753 679 HD23 LEU 81 HD23 LEU 81 10.038 -7.046 -2.414 680 H GLU 82 H GLU 82 10.320 -9.926 -4.552 681 HA GLU 82 HA GLU 82 10.713 -7.171 -5.380 682 HB2 GLU 82 HB2 GLU 82 12.543 -8.821 -4.630 683 HB3 GLU 82 HB3 GLU 82 12.366 -9.601 -6.198 684 HG2 GLU 82 HG2 GLU 82 13.016 -7.511 -7.322 685 HG3 GLU 82 HG3 GLU 82 13.122 -6.695 -5.765 686 H GLY 83 H GLY 83 8.882 -9.694 -6.611 687 HA2 GLY 83 HA2 GLY 83 7.694 -9.964 -8.557 688 HA3 GLY 83 HA3 GLY 83 8.289 -8.399 -9.084 Start of MODEL 19 1 H1 SER 1 H1 SER 1 16.985 8.241 -11.593 2 H2 SER 1 H2 SER 1 18.645 8.115 -11.893 3 H3 SER 1 H3 SER 1 17.644 6.767 -12.089 4 HA SER 1 HA SER 1 17.479 9.254 -13.692 5 HB2 SER 1 HB2 SER 1 18.650 6.537 -14.449 6 HB3 SER 1 HB3 SER 1 18.525 7.939 -15.519 7 HG SER 1 HG SER 1 20.547 7.377 -14.059 8 H HIS 2 H HIS 2 15.250 8.002 -12.356 9 HA HIS 2 HA HIS 2 13.121 7.335 -12.650 10 HB2 HIS 2 HB2 HIS 2 13.692 8.165 -15.515 11 HB3 HIS 2 HB3 HIS 2 12.101 7.632 -14.998 12 HD1 HIS 2 HD1 HIS 2 14.165 10.623 -15.218 13 HD2 HIS 2 HD2 HIS 2 10.963 9.347 -12.887 14 HE1 HIS 2 HE1 HIS 2 13.213 12.706 -14.186 15 HE2 HIS 2 HE2 HIS 2 11.355 11.902 -12.698 16 H MET 3 H MET 3 11.690 5.909 -14.534 17 HA MET 3 HA MET 3 11.079 3.823 -15.112 18 HB2 MET 3 HB2 MET 3 14.065 3.354 -15.510 19 HB3 MET 3 HB3 MET 3 12.810 2.229 -16.010 20 HG2 MET 3 HG2 MET 3 11.918 3.885 -17.575 21 HG3 MET 3 HG3 MET 3 13.143 5.050 -17.054 22 HE1 MET 3 HE1 MET 3 12.663 4.190 -20.138 23 HE2 MET 3 HE2 MET 3 14.331 4.040 -20.684 24 HE3 MET 3 HE3 MET 3 13.865 5.378 -19.630 25 H GLN 4 H GLN 4 11.726 4.501 -12.293 26 HA GLN 4 HA GLN 4 12.600 2.094 -10.957 27 HB2 GLN 4 HB2 GLN 4 11.170 4.571 -9.880 28 HB3 GLN 4 HB3 GLN 4 11.923 3.322 -8.888 29 HG2 GLN 4 HG2 GLN 4 14.129 3.904 -9.816 30 HG3 GLN 4 HG3 GLN 4 13.381 5.123 -10.846 31 HE21 GLN 4 HE21 GLN 4 14.330 4.318 -7.587 32 HE22 GLN 4 HE22 GLN 4 14.156 5.907 -6.934 33 HA PRO 5 HA PRO 5 8.735 -0.130 -11.134 34 HB2 PRO 5 HB2 PRO 5 8.984 -1.940 -9.131 35 HB3 PRO 5 HB3 PRO 5 10.053 -1.960 -10.544 36 HG2 PRO 5 HG2 PRO 5 10.555 -0.777 -7.805 37 HG3 PRO 5 HG3 PRO 5 11.612 -1.832 -8.770 38 HD2 PRO 5 HD2 PRO 5 11.929 0.878 -8.708 39 HD3 PRO 5 HD3 PRO 5 12.316 -0.085 -10.150 40 H GLY 6 H GLY 6 9.146 2.105 -8.690 41 HA2 GLY 6 HA2 GLY 6 7.140 3.312 -8.007 42 HA3 GLY 6 HA3 GLY 6 6.353 1.772 -7.719 43 H LYS 7 H LYS 7 7.913 4.330 -6.253 44 HA LYS 7 HA LYS 7 9.133 2.960 -4.027 45 HB2 LYS 7 HB2 LYS 7 9.422 5.225 -3.064 46 HB3 LYS 7 HB3 LYS 7 10.001 5.115 -4.724 47 HG2 LYS 7 HG2 LYS 7 7.804 6.159 -5.453 48 HG3 LYS 7 HG3 LYS 7 7.451 6.448 -3.745 49 HD2 LYS 7 HD2 LYS 7 9.809 7.565 -5.327 50 HD3 LYS 7 HD3 LYS 7 8.382 8.465 -4.804 51 HE2 LYS 7 HE2 LYS 7 9.043 8.048 -2.430 52 HE3 LYS 7 HE3 LYS 7 10.498 7.232 -2.995 53 HZ1 LYS 7 HZ1 LYS 7 10.848 9.558 -2.350 54 HZ2 LYS 7 HZ2 LYS 7 9.821 10.057 -3.596 55 HZ3 LYS 7 HZ3 LYS 7 11.269 9.259 -3.958 56 H TYR 8 H TYR 8 5.927 4.351 -4.640 57 HA TYR 8 HA TYR 8 4.878 3.946 -1.991 58 HB2 TYR 8 HB2 TYR 8 3.519 4.267 -4.695 59 HB3 TYR 8 HB3 TYR 8 2.612 4.037 -3.207 60 HD1 TYR 8 HD2 TYR 8 4.828 6.395 -5.049 61 HD2 TYR 8 HD1 TYR 8 2.318 5.860 -1.629 62 HE1 TYR 8 HE2 TYR 8 4.861 8.821 -4.630 63 HE2 TYR 8 HE1 TYR 8 2.354 8.279 -1.219 64 HH TYR 8 HH TYR 8 3.508 10.526 -3.484 65 H SER 9 H SER 9 5.152 1.943 -4.912 66 HA SER 9 HA SER 9 3.617 -0.286 -4.149 67 HB2 SER 9 HB2 SER 9 6.167 -0.303 -5.823 68 HB3 SER 9 HB3 SER 9 4.941 -1.573 -5.791 69 HG SER 9 HG SER 9 4.838 0.010 -7.562 70 H GLN 10 H GLN 10 7.072 0.389 -3.623 71 HA GLN 10 HA GLN 10 7.760 -1.914 -2.123 72 HB2 GLN 10 HB2 GLN 10 8.951 0.890 -2.035 73 HB3 GLN 10 HB3 GLN 10 9.711 -0.549 -1.348 74 HG2 GLN 10 HG2 GLN 10 9.908 -1.526 -3.595 75 HG3 GLN 10 HG3 GLN 10 9.100 -0.124 -4.292 76 HE21 GLN 10 HE21 GLN 10 12.030 -1.250 -2.737 77 HE22 GLN 10 HE22 GLN 10 13.026 0.069 -3.226 78 H LEU 11 H LEU 11 6.545 1.273 -1.155 79 HA LEU 11 HA LEU 11 6.774 1.055 1.634 80 HB2 LEU 11 HB2 LEU 11 6.408 3.183 0.452 81 HB3 LEU 11 HB3 LEU 11 4.803 2.660 -0.029 82 HG LEU 11 HG LEU 11 4.075 2.685 2.351 83 HD11 LEU 11 HD11 LEU 11 6.844 3.768 2.956 84 HD12 LEU 11 HD12 LEU 11 6.193 2.205 3.460 85 HD13 LEU 11 HD13 LEU 11 5.491 3.692 4.089 86 HD21 LEU 11 HD21 LEU 11 5.292 5.322 1.459 87 HD22 LEU 11 HD22 LEU 11 3.983 5.112 2.624 88 HD23 LEU 11 HD23 LEU 11 3.733 4.676 0.936 89 H VAL 12 H VAL 12 4.099 0.051 -0.519 90 HA VAL 12 HA VAL 12 2.216 -0.707 1.478 91 HB VAL 12 HB VAL 12 2.576 -1.868 -1.331 92 HG11 VAL 12 HG11 VAL 12 0.228 -2.658 -1.126 93 HG12 VAL 12 HG12 VAL 12 0.194 -2.123 0.555 94 HG13 VAL 12 HG13 VAL 12 1.280 -3.425 0.065 95 HG21 VAL 12 HG21 VAL 12 2.107 0.553 -1.366 96 HG22 VAL 12 HG22 VAL 12 0.685 0.310 -0.351 97 HG23 VAL 12 HG23 VAL 12 0.727 -0.357 -1.985 98 H VAL 13 H VAL 13 4.720 -2.596 -0.224 99 HA VAL 13 HA VAL 13 4.364 -5.114 0.961 100 HB VAL 13 HB VAL 13 6.976 -3.848 0.000 101 HG11 VAL 13 HG11 VAL 13 7.823 -6.167 -0.283 102 HG12 VAL 13 HG12 VAL 13 6.345 -6.798 0.446 103 HG13 VAL 13 HG13 VAL 13 7.452 -5.817 1.407 104 HG21 VAL 13 HG21 VAL 13 6.547 -5.025 -2.135 105 HG22 VAL 13 HG22 VAL 13 5.251 -3.889 -1.765 106 HG23 VAL 13 HG23 VAL 13 5.004 -5.617 -1.506 107 H GLU 14 H GLU 14 6.378 -2.380 2.016 108 HA GLU 14 HA GLU 14 7.510 -3.496 4.352 109 HB2 GLU 14 HB2 GLU 14 6.883 -0.592 3.658 110 HB3 GLU 14 HB3 GLU 14 7.887 -1.090 5.022 111 HG2 GLU 14 HG2 GLU 14 9.541 -2.049 3.508 112 HG3 GLU 14 HG3 GLU 14 8.517 -1.697 2.112 113 H THR 15 H THR 15 4.550 -1.553 3.879 114 HA THR 15 HA THR 15 3.804 -1.144 6.546 115 HB THR 15 HB THR 15 2.102 -1.255 4.030 116 HG1 THR 15 HG1 THR 15 3.190 0.575 3.851 117 HG21 THR 15 HG21 THR 15 1.277 -0.313 6.800 118 HG22 THR 15 HG22 THR 15 0.584 -1.667 5.903 119 HG23 THR 15 HG23 THR 15 0.364 -0.018 5.319 120 H ILE 16 H ILE 16 2.703 -3.724 4.311 121 HA ILE 16 HA ILE 16 0.934 -5.032 6.121 122 HB ILE 16 HB ILE 16 2.363 -6.258 3.711 123 HG12 ILE 16 HG12 ILE 16 -0.366 -4.874 3.785 124 HG13 ILE 16 HG13 ILE 16 1.105 -4.133 3.167 125 HG21 ILE 16 HG21 ILE 16 0.446 -7.831 3.620 126 HG22 ILE 16 HG22 ILE 16 -0.228 -7.107 5.082 127 HG23 ILE 16 HG23 ILE 16 1.312 -7.967 5.152 128 HD11 ILE 16 HD11 ILE 16 -0.316 -4.934 1.378 129 HD12 ILE 16 HD12 ILE 16 -0.255 -6.573 2.023 130 HD13 ILE 16 HD13 ILE 16 1.211 -5.814 1.395 131 H ARG 17 H ARG 17 4.379 -5.431 5.437 132 HA ARG 17 HA ARG 17 4.937 -7.740 6.992 133 HB2 ARG 17 HB2 ARG 17 6.526 -6.962 5.335 134 HB3 ARG 17 HB3 ARG 17 6.675 -5.398 6.128 135 HG2 ARG 17 HG2 ARG 17 7.756 -6.518 8.074 136 HG3 ARG 17 HG3 ARG 17 7.649 -8.060 7.219 137 HD2 ARG 17 HD2 ARG 17 9.169 -7.273 5.500 138 HD3 ARG 17 HD3 ARG 17 9.145 -5.633 6.165 139 HE ARG 17 HE ARG 17 10.034 -7.258 8.213 140 HH11 ARG 17 HH11 ARG 17 11.193 -6.603 5.012 141 HH12 ARG 17 HH12 ARG 17 12.850 -6.709 5.485 142 HH21 ARG 17 HH21 ARG 17 12.142 -7.365 8.789 143 HH22 ARG 17 HH22 ARG 17 13.384 -7.136 7.611 144 H ARG 18 H ARG 18 5.097 -4.257 7.813 145 HA ARG 18 HA ARG 18 6.041 -4.457 10.484 146 HB2 ARG 18 HB2 ARG 18 4.299 -2.282 9.238 147 HB3 ARG 18 HB3 ARG 18 5.197 -2.124 10.748 148 HG2 ARG 18 HG2 ARG 18 7.310 -2.212 9.585 149 HG3 ARG 18 HG3 ARG 18 6.521 -2.648 8.073 150 HD2 ARG 18 HD2 ARG 18 5.306 -0.373 8.234 151 HD3 ARG 18 HD3 ARG 18 6.488 0.028 9.491 152 HE ARG 18 HE ARG 18 7.651 -0.924 7.016 153 HH11 ARG 18 HH11 ARG 18 6.634 1.926 8.709 154 HH12 ARG 18 HH12 ARG 18 7.549 2.974 7.687 155 HH21 ARG 18 HH21 ARG 18 8.796 0.454 5.723 156 HH22 ARG 18 HH22 ARG 18 8.736 2.155 6.013 157 H LEU 19 H LEU 19 2.781 -4.440 9.119 158 HA LEU 19 HA LEU 19 1.340 -4.498 11.604 159 HB2 LEU 19 HB2 LEU 19 0.500 -5.136 8.749 160 HB3 LEU 19 HB3 LEU 19 -0.616 -5.052 10.108 161 HG LEU 19 HG LEU 19 1.072 -2.708 9.130 162 HD11 LEU 19 HD11 LEU 19 -1.015 -1.777 8.226 163 HD12 LEU 19 HD12 LEU 19 -1.877 -3.257 8.659 164 HD13 LEU 19 HD13 LEU 19 -0.594 -3.301 7.444 165 HD21 LEU 19 HD21 LEU 19 -1.162 -2.820 11.189 166 HD22 LEU 19 HD22 LEU 19 -0.352 -1.356 10.626 167 HD23 LEU 19 HD23 LEU 19 0.554 -2.570 11.523 168 H GLY 20 H GLY 20 2.606 -6.950 9.412 169 HA2 GLY 20 HA2 GLY 20 2.804 -9.235 9.566 170 HA3 GLY 20 HA3 GLY 20 2.346 -9.109 11.257 171 H GLU 21 H GLU 21 0.445 -8.088 8.452 172 HA GLU 21 HA GLU 21 -1.847 -9.626 9.340 173 HB2 GLU 21 HB2 GLU 21 -1.497 -7.782 6.944 174 HB3 GLU 21 HB3 GLU 21 -3.025 -8.517 7.432 175 HG2 GLU 21 HG2 GLU 21 -1.388 -6.497 8.986 176 HG3 GLU 21 HG3 GLU 21 -2.926 -6.215 8.185 177 H ARG 22 H ARG 22 -1.624 -11.785 9.002 178 HA ARG 22 HA ARG 22 -0.607 -12.927 6.527 179 HB2 ARG 22 HB2 ARG 22 -1.069 -15.122 7.614 180 HB3 ARG 22 HB3 ARG 22 -0.066 -14.064 8.598 181 HG2 ARG 22 HG2 ARG 22 -1.998 -13.506 10.014 182 HG3 ARG 22 HG3 ARG 22 -3.046 -14.513 9.012 183 HD2 ARG 22 HD2 ARG 22 -1.831 -16.515 9.679 184 HD3 ARG 22 HD3 ARG 22 -0.648 -15.550 10.568 185 HE ARG 22 HE ARG 22 -2.762 -14.832 11.904 186 HH11 ARG 22 HH11 ARG 22 -2.184 -18.044 10.722 187 HH12 ARG 22 HH12 ARG 22 -3.056 -18.774 12.022 188 HH21 ARG 22 HH21 ARG 22 -3.842 -15.810 13.554 189 HH22 ARG 22 HH22 ARG 22 -3.983 -17.535 13.588 190 H ASN 23 H ASN 23 -3.739 -12.168 7.859 191 HA ASN 23 HA ASN 23 -5.229 -13.685 5.844 192 HB2 ASN 23 HB2 ASN 23 -6.036 -13.356 8.245 193 HB3 ASN 23 HB3 ASN 23 -6.298 -11.661 7.868 194 HD21 ASN 23 HD21 ASN 23 -8.197 -13.718 8.716 195 HD22 ASN 23 HD22 ASN 23 -9.425 -13.760 7.506 196 H GLY 24 H GLY 24 -4.206 -10.343 6.505 197 HA2 GLY 24 HA2 GLY 24 -3.671 -9.155 4.324 198 HA3 GLY 24 HA3 GLY 24 -5.358 -9.424 3.923 199 H SER 25 H SER 25 -3.713 -6.936 4.323 200 HA SER 25 HA SER 25 -5.374 -5.519 6.334 201 HB2 SER 25 HB2 SER 25 -3.555 -3.729 6.150 202 HB3 SER 25 HB3 SER 25 -3.024 -5.254 6.844 203 HG SER 25 HG SER 25 -2.754 -4.936 4.079 204 H SER 26 H SER 26 -6.884 -4.111 5.554 205 HA SER 26 HA SER 26 -7.455 -3.891 2.778 206 HB2 SER 26 HB2 SER 26 -9.218 -3.761 4.505 207 HB3 SER 26 HB3 SER 26 -8.558 -2.229 5.084 208 HG SER 26 HG SER 26 -9.850 -2.804 2.632 209 H LEU 27 H LEU 27 -7.691 -1.855 1.524 210 HA LEU 27 HA LEU 27 -5.341 -0.381 1.217 211 HB2 LEU 27 HB2 LEU 27 -7.023 -0.570 -0.555 212 HB3 LEU 27 HB3 LEU 27 -8.173 0.354 0.394 213 HG LEU 27 HG LEU 27 -6.750 2.388 0.155 214 HD11 LEU 27 HD11 LEU 27 -4.973 0.682 -1.619 215 HD12 LEU 27 HD12 LEU 27 -4.541 1.372 -0.051 216 HD13 LEU 27 HD13 LEU 27 -4.860 2.435 -1.418 217 HD21 LEU 27 HD21 LEU 27 -8.553 1.995 -1.456 218 HD22 LEU 27 HD22 LEU 27 -7.449 1.091 -2.498 219 HD23 LEU 27 HD23 LEU 27 -7.191 2.815 -2.221 220 H ALA 28 H ALA 28 -8.195 0.395 3.168 221 HA ALA 28 HA ALA 28 -7.469 3.012 4.020 222 HB1 ALA 28 HB1 ALA 28 -9.181 0.935 5.434 223 HB2 ALA 28 HB2 ALA 28 -9.749 2.105 4.244 224 HB3 ALA 28 HB3 ALA 28 -9.141 2.662 5.802 225 H LYS 29 H LYS 29 -6.849 -0.209 5.447 226 HA LYS 29 HA LYS 29 -5.585 0.630 7.846 227 HB2 LYS 29 HB2 LYS 29 -6.580 -1.626 7.512 228 HB3 LYS 29 HB3 LYS 29 -5.352 -1.998 6.312 229 HG2 LYS 29 HG2 LYS 29 -4.733 -3.099 8.346 230 HG3 LYS 29 HG3 LYS 29 -3.602 -1.766 8.100 231 HD2 LYS 29 HD2 LYS 29 -4.890 -0.393 9.732 232 HD3 LYS 29 HD3 LYS 29 -5.992 -1.751 9.988 233 HE2 LYS 29 HE2 LYS 29 -4.109 -3.106 10.856 234 HE3 LYS 29 HE3 LYS 29 -3.012 -1.746 10.594 235 HZ1 LYS 29 HZ1 LYS 29 -3.697 -1.852 12.881 236 HZ2 LYS 29 HZ2 LYS 29 -5.331 -1.801 12.447 237 HZ3 LYS 29 HZ3 LYS 29 -4.342 -0.457 12.173 238 H ILE 30 H ILE 30 -4.286 -0.473 4.726 239 HA ILE 30 HA ILE 30 -1.537 -0.266 5.239 240 HB ILE 30 HB ILE 30 -3.061 -0.079 2.597 241 HG12 ILE 30 HG12 ILE 30 -1.557 -2.407 3.885 242 HG13 ILE 30 HG13 ILE 30 -3.307 -2.233 3.832 243 HG21 ILE 30 HG21 ILE 30 -0.924 -0.577 1.438 244 HG22 ILE 30 HG22 ILE 30 -0.060 -0.438 2.970 245 HG23 ILE 30 HG23 ILE 30 -0.861 0.974 2.278 246 HD11 ILE 30 HD11 ILE 30 -3.232 -2.435 1.381 247 HD12 ILE 30 HD12 ILE 30 -2.546 -3.838 2.200 248 HD13 ILE 30 HD13 ILE 30 -1.480 -2.642 1.464 249 H TYR 31 H TYR 31 -3.834 2.087 3.856 250 HA TYR 31 HA TYR 31 -2.068 4.173 3.247 251 HB2 TYR 31 HB2 TYR 31 -4.438 4.090 2.484 252 HB3 TYR 31 HB3 TYR 31 -4.981 4.401 4.127 253 HD1 TYR 31 HD2 TYR 31 -3.325 5.884 1.169 254 HD2 TYR 31 HD1 TYR 31 -4.899 6.679 5.057 255 HE1 TYR 31 HE2 TYR 31 -3.188 8.289 0.730 256 HE2 TYR 31 HE1 TYR 31 -4.740 9.094 4.626 257 HH TYR 31 HH TYR 31 -3.364 10.618 3.116 258 H THR 32 H THR 32 -3.789 3.467 6.279 259 HA THR 32 HA THR 32 -3.203 5.854 7.662 260 HB THR 32 HB THR 32 -3.757 3.105 8.861 261 HG1 THR 32 HG1 THR 32 -5.708 3.429 8.130 262 HG21 THR 32 HG21 THR 32 -4.628 4.368 10.819 263 HG22 THR 32 HG22 THR 32 -4.100 5.880 10.080 264 HG23 THR 32 HG23 THR 32 -2.906 4.676 10.574 265 H GLU 33 H GLU 33 -1.357 2.827 7.444 266 HA GLU 33 HA GLU 33 0.697 3.750 9.307 267 HB2 GLU 33 HB2 GLU 33 0.618 1.214 7.637 268 HB3 GLU 33 HB3 GLU 33 1.684 1.541 9.006 269 HG2 GLU 33 HG2 GLU 33 -1.341 1.238 9.110 270 HG3 GLU 33 HG3 GLU 33 -0.162 0.029 9.612 271 H ALA 34 H ALA 34 0.167 3.697 5.885 272 HA ALA 34 HA ALA 34 2.952 4.064 5.111 273 HB1 ALA 34 HB1 ALA 34 0.405 4.186 3.465 274 HB2 ALA 34 HB2 ALA 34 1.442 2.773 3.677 275 HB3 ALA 34 HB3 ALA 34 2.048 4.190 2.820 276 H LYS 35 H LYS 35 0.277 6.147 5.951 277 HA LYS 35 HA LYS 35 1.189 8.469 4.481 278 HB2 LYS 35 HB2 LYS 35 -0.647 9.674 5.519 279 HB3 LYS 35 HB3 LYS 35 -1.215 8.101 4.967 280 HG2 LYS 35 HG2 LYS 35 -1.091 7.252 7.292 281 HG3 LYS 35 HG3 LYS 35 -0.537 8.842 7.833 282 HD2 LYS 35 HD2 LYS 35 -2.670 9.847 7.086 283 HD3 LYS 35 HD3 LYS 35 -3.227 8.269 6.516 284 HE2 LYS 35 HE2 LYS 35 -3.166 7.412 8.827 285 HE3 LYS 35 HE3 LYS 35 -2.577 8.973 9.402 286 HZ1 LYS 35 HZ1 LYS 35 -4.635 9.981 8.720 287 HZ2 LYS 35 HZ2 LYS 35 -4.959 8.676 9.738 288 HZ3 LYS 35 HZ3 LYS 35 -5.192 8.521 8.072 289 H LYS 36 H LYS 36 2.518 7.072 7.131 290 HA LYS 36 HA LYS 36 3.010 9.361 8.833 291 HB2 LYS 36 HB2 LYS 36 4.303 6.605 8.863 292 HB3 LYS 36 HB3 LYS 36 4.353 7.794 10.165 293 HG2 LYS 36 HG2 LYS 36 1.925 7.576 10.484 294 HG3 LYS 36 HG3 LYS 36 1.836 6.429 9.140 295 HD2 LYS 36 HD2 LYS 36 3.309 4.866 10.407 296 HD3 LYS 36 HD3 LYS 36 3.351 6.016 11.751 297 HE2 LYS 36 HE2 LYS 36 0.849 4.652 10.689 298 HE3 LYS 36 HE3 LYS 36 1.735 4.180 12.134 299 HZ1 LYS 36 HZ1 LYS 36 -0.165 5.515 12.697 300 HZ2 LYS 36 HZ2 LYS 36 0.374 6.773 11.710 301 HZ3 LYS 36 HZ3 LYS 36 1.254 6.348 13.088 302 H VAL 37 H VAL 37 4.556 8.144 6.009 303 HA VAL 37 HA VAL 37 7.291 8.807 6.756 304 HB VAL 37 HB VAL 37 6.975 8.376 3.842 305 HG11 VAL 37 HG11 VAL 37 9.109 8.086 4.992 306 HG12 VAL 37 HG12 VAL 37 8.628 6.588 4.201 307 HG13 VAL 37 HG13 VAL 37 8.449 6.756 5.952 308 HG21 VAL 37 HG21 VAL 37 4.982 7.088 4.446 309 HG22 VAL 37 HG22 VAL 37 5.923 6.130 5.589 310 HG23 VAL 37 HG23 VAL 37 6.265 6.031 3.857 311 HA PRO 38 HA PRO 38 7.247 13.132 5.665 312 HB2 PRO 38 HB2 PRO 38 10.022 12.929 4.585 313 HB3 PRO 38 HB3 PRO 38 9.412 13.871 5.949 314 HG2 PRO 38 HG2 PRO 38 10.937 11.646 6.263 315 HG3 PRO 38 HG3 PRO 38 9.705 12.133 7.446 316 HD2 PRO 38 HD2 PRO 38 9.613 9.969 5.372 317 HD3 PRO 38 HD3 PRO 38 8.908 10.003 7.003 318 H TRP 39 H TRP 39 8.451 10.914 3.165 319 HA TRP 39 HA TRP 39 8.229 12.865 1.016 320 HB2 TRP 39 HB2 TRP 39 8.993 11.004 -0.457 321 HB3 TRP 39 HB3 TRP 39 10.069 11.294 0.900 322 HD1 TRP 39 HD1 TRP 39 10.433 9.314 2.633 323 HE1 TRP 39 HE1 TRP 39 9.834 6.813 2.574 324 HE3 TRP 39 HE3 TRP 39 7.016 9.341 -1.197 325 HZ2 TRP 39 HZ2 TRP 39 8.145 5.082 1.136 326 HZ3 TRP 39 HZ3 TRP 39 5.949 7.219 -1.840 327 HH2 TRP 39 HH2 TRP 39 6.502 5.132 -0.696 328 H PHE 40 H PHE 40 6.060 10.728 2.530 329 HA PHE 40 HA PHE 40 4.435 9.875 0.367 330 HB2 PHE 40 HB2 PHE 40 4.406 8.925 2.713 331 HB3 PHE 40 HB3 PHE 40 3.547 10.363 3.248 332 HD1 PHE 40 HD2 PHE 40 3.309 7.264 1.263 333 HD2 PHE 40 HD1 PHE 40 1.152 10.658 2.718 334 HE1 PHE 40 HE2 PHE 40 1.186 6.185 0.654 335 HE2 PHE 40 HE1 PHE 40 -0.966 9.566 2.103 336 HZ PHE 40 HZ PHE 40 -0.948 7.332 1.071 337 H ASP 41 H ASP 41 2.652 10.776 -0.629 338 HA ASP 41 HA ASP 41 2.081 13.638 -0.202 339 HB2 ASP 41 HB2 ASP 41 2.657 12.854 -2.491 340 HB3 ASP 41 HB3 ASP 41 1.289 11.742 -2.458 341 H GLN 42 H GLN 42 0.394 14.106 1.167 342 HA GLN 42 HA GLN 42 -1.683 12.186 1.806 343 HB2 GLN 42 HB2 GLN 42 -1.358 15.101 2.620 344 HB3 GLN 42 HB3 GLN 42 -2.588 14.019 3.267 345 HG2 GLN 42 HG2 GLN 42 0.393 13.516 3.541 346 HG3 GLN 42 HG3 GLN 42 -0.565 14.400 4.726 347 HE21 GLN 42 HE21 GLN 42 -0.098 12.875 6.342 348 HE22 GLN 42 HE22 GLN 42 -0.785 11.296 6.357 349 H GLN 43 H GLN 43 -1.346 14.297 -0.777 350 HA GLN 43 HA GLN 43 -4.164 15.024 -1.065 351 HB2 GLN 43 HB2 GLN 43 -1.802 15.520 -2.936 352 HB3 GLN 43 HB3 GLN 43 -3.407 16.239 -3.080 353 HG2 GLN 43 HG2 GLN 43 -1.446 16.704 -0.801 354 HG3 GLN 43 HG3 GLN 43 -1.764 17.816 -2.131 355 HE21 GLN 43 HE21 GLN 43 -3.770 18.935 -2.176 356 HE22 GLN 43 HE22 GLN 43 -4.741 19.098 -0.759 357 H ASN 44 H ASN 44 -1.817 13.446 -3.280 358 HA ASN 44 HA ASN 44 -4.004 11.917 -4.560 359 HB2 ASN 44 HB2 ASN 44 -1.187 12.437 -5.618 360 HB3 ASN 44 HB3 ASN 44 -2.537 11.752 -6.517 361 HD21 ASN 44 HD21 ASN 44 -1.164 14.655 -5.179 362 HD22 ASN 44 HD22 ASN 44 -2.165 15.769 -6.039 363 H GLY 45 H GLY 45 -1.729 11.377 -2.196 364 HA2 GLY 45 HA2 GLY 45 -0.377 9.013 -2.977 365 HA3 GLY 45 HA3 GLY 45 -0.628 9.555 -1.330 366 H ARG 46 H ARG 46 -3.633 9.418 -1.688 367 HA ARG 46 HA ARG 46 -4.159 6.709 -1.004 368 HB2 ARG 46 HB2 ARG 46 -5.623 8.666 -0.398 369 HB3 ARG 46 HB3 ARG 46 -6.115 8.787 -2.081 370 HG2 ARG 46 HG2 ARG 46 -7.851 7.666 -0.846 371 HG3 ARG 46 HG3 ARG 46 -7.092 6.498 -1.929 372 HD2 ARG 46 HD2 ARG 46 -5.748 5.643 -0.009 373 HD3 ARG 46 HD3 ARG 46 -6.586 6.783 1.054 374 HE ARG 46 HE ARG 46 -8.172 4.823 -0.452 375 HH11 ARG 46 HH11 ARG 46 -7.022 5.892 2.645 376 HH12 ARG 46 HH12 ARG 46 -8.029 4.786 3.505 377 HH21 ARG 46 HH21 ARG 46 -9.431 3.432 0.664 378 HH22 ARG 46 HH22 ARG 46 -9.397 3.423 2.392 379 H THR 47 H THR 47 -4.563 8.532 -4.045 380 HA THR 47 HA THR 47 -5.468 6.419 -5.708 381 HB THR 47 HB THR 47 -3.891 8.908 -6.524 382 HG1 THR 47 HG1 THR 47 -5.803 9.947 -6.613 383 HG21 THR 47 HG21 THR 47 -5.766 7.189 -8.197 384 HG22 THR 47 HG22 THR 47 -4.008 7.224 -8.356 385 HG23 THR 47 HG23 THR 47 -4.958 8.663 -8.731 386 H TYR 48 H TYR 48 -2.200 7.619 -4.915 387 HA TYR 48 HA TYR 48 -0.742 5.999 -6.715 388 HB2 TYR 48 HB2 TYR 48 0.151 7.310 -4.118 389 HB3 TYR 48 HB3 TYR 48 1.254 6.501 -5.228 390 HD1 TYR 48 HD1 TYR 48 0.023 7.448 -7.853 391 HD2 TYR 48 HD2 TYR 48 1.000 9.562 -4.267 392 HE1 TYR 48 HE1 TYR 48 0.283 9.515 -9.141 393 HE2 TYR 48 HE2 TYR 48 1.250 11.637 -5.560 394 HH TYR 48 HH TYR 48 0.183 11.935 -8.780 395 H LEU 49 H LEU 49 -1.593 5.405 -3.263 396 HA LEU 49 HA LEU 49 -0.325 2.849 -3.121 397 HB2 LEU 49 HB2 LEU 49 -2.576 4.006 -1.445 398 HB3 LEU 49 HB3 LEU 49 -1.790 2.472 -1.100 399 HG LEU 49 HG LEU 49 -0.512 5.233 -0.982 400 HD11 LEU 49 HD11 LEU 49 -1.963 4.706 0.918 401 HD12 LEU 49 HD12 LEU 49 -0.273 4.773 1.407 402 HD13 LEU 49 HD13 LEU 49 -1.071 3.209 1.208 403 HD21 LEU 49 HD21 LEU 49 0.811 2.534 -0.526 404 HD22 LEU 49 HD22 LEU 49 1.544 4.108 -0.200 405 HD23 LEU 49 HD23 LEU 49 1.143 3.651 -1.852 406 H LYS 50 H LYS 50 -3.636 3.863 -3.950 407 HA LYS 50 HA LYS 50 -4.872 1.335 -4.226 408 HB2 LYS 50 HB2 LYS 50 -5.944 3.668 -4.193 409 HB3 LYS 50 HB3 LYS 50 -5.493 3.826 -5.880 410 HG2 LYS 50 HG2 LYS 50 -7.332 1.633 -4.845 411 HG3 LYS 50 HG3 LYS 50 -7.913 3.214 -5.369 412 HD2 LYS 50 HD2 LYS 50 -6.763 2.696 -7.628 413 HD3 LYS 50 HD3 LYS 50 -6.619 1.035 -7.047 414 HE2 LYS 50 HE2 LYS 50 -9.203 2.591 -7.424 415 HE3 LYS 50 HE3 LYS 50 -8.605 1.297 -8.462 416 HZ1 LYS 50 HZ1 LYS 50 -9.410 1.009 -5.614 417 HZ2 LYS 50 HZ2 LYS 50 -8.807 -0.229 -6.589 418 HZ3 LYS 50 HZ3 LYS 50 -10.294 0.482 -6.956 419 H TYR 51 H TYR 51 -2.985 3.284 -6.505 420 HA TYR 51 HA TYR 51 -3.367 1.558 -8.781 421 HB2 TYR 51 HB2 TYR 51 -2.439 4.217 -8.406 422 HB3 TYR 51 HB3 TYR 51 -1.032 3.363 -9.012 423 HD1 TYR 51 HD1 TYR 51 -1.606 1.726 -11.114 424 HD2 TYR 51 HD2 TYR 51 -3.836 5.203 -10.015 425 HE1 TYR 51 HE1 TYR 51 -2.489 1.890 -13.402 426 HE2 TYR 51 HE2 TYR 51 -4.729 5.355 -12.291 427 HH TYR 51 HH TYR 51 -4.098 4.626 -14.584 428 H SER 52 H SER 52 -0.822 2.061 -6.381 429 HA SER 52 HA SER 52 1.181 0.369 -7.447 430 HB2 SER 52 HB2 SER 52 0.645 1.226 -4.574 431 HB3 SER 52 HB3 SER 52 2.062 0.293 -5.056 432 HG SER 52 HG SER 52 1.372 2.795 -6.195 433 H ILE 53 H ILE 53 -1.287 -0.266 -4.948 434 HA ILE 53 HA ILE 53 -0.794 -2.984 -4.501 435 HB ILE 53 HB ILE 53 -3.334 -1.340 -4.183 436 HG12 ILE 53 HG12 ILE 53 -1.325 -2.432 -2.158 437 HG13 ILE 53 HG13 ILE 53 -1.459 -0.755 -2.679 438 HG21 ILE 53 HG21 ILE 53 -2.962 -4.221 -3.280 439 HG22 ILE 53 HG22 ILE 53 -4.074 -3.651 -4.526 440 HG23 ILE 53 HG23 ILE 53 -4.318 -3.171 -2.849 441 HD11 ILE 53 HD11 ILE 53 -3.697 -0.650 -1.647 442 HD12 ILE 53 HD12 ILE 53 -2.419 -1.037 -0.497 443 HD13 ILE 53 HD13 ILE 53 -3.491 -2.310 -1.078 444 H LYS 54 H LYS 54 -3.029 -1.448 -6.843 445 HA LYS 54 HA LYS 54 -4.173 -3.805 -7.920 446 HB2 LYS 54 HB2 LYS 54 -5.008 -1.404 -8.153 447 HB3 LYS 54 HB3 LYS 54 -3.764 -1.146 -9.365 448 HG2 LYS 54 HG2 LYS 54 -5.829 -3.338 -9.702 449 HG3 LYS 54 HG3 LYS 54 -6.219 -1.665 -10.104 450 HD2 LYS 54 HD2 LYS 54 -4.370 -1.625 -11.749 451 HD3 LYS 54 HD3 LYS 54 -3.952 -3.288 -11.335 452 HE2 LYS 54 HE2 LYS 54 -6.597 -2.405 -12.544 453 HE3 LYS 54 HE3 LYS 54 -5.268 -3.151 -13.431 454 HZ1 LYS 54 HZ1 LYS 54 -5.513 -5.109 -11.983 455 HZ2 LYS 54 HZ2 LYS 54 -6.900 -4.802 -12.902 456 HZ3 LYS 54 HZ3 LYS 54 -6.865 -4.399 -11.259 457 H ALA 55 H ALA 55 -1.348 -1.899 -8.894 458 HA ALA 55 HA ALA 55 -0.516 -3.472 -11.112 459 HB1 ALA 55 HB1 ALA 55 0.215 -1.143 -10.779 460 HB2 ALA 55 HB2 ALA 55 1.599 -2.225 -10.952 461 HB3 ALA 55 HB3 ALA 55 1.137 -1.625 -9.354 462 H LEU 56 H LEU 56 0.150 -3.734 -7.634 463 HA LEU 56 HA LEU 56 2.301 -5.642 -7.891 464 HB2 LEU 56 HB2 LEU 56 0.716 -4.698 -5.489 465 HB3 LEU 56 HB3 LEU 56 1.981 -5.911 -5.367 466 HG LEU 56 HG LEU 56 2.364 -3.017 -6.235 467 HD11 LEU 56 HD11 LEU 56 3.622 -2.773 -4.133 468 HD12 LEU 56 HD12 LEU 56 3.193 -4.425 -3.681 469 HD13 LEU 56 HD13 LEU 56 1.935 -3.198 -3.851 470 HD21 LEU 56 HD21 LEU 56 3.934 -4.467 -7.439 471 HD22 LEU 56 HD22 LEU 56 4.465 -5.190 -5.918 472 HD23 LEU 56 HD23 LEU 56 4.779 -3.484 -6.245 473 H VAL 57 H VAL 57 -1.209 -5.879 -7.402 474 HA VAL 57 HA VAL 57 -1.274 -8.712 -6.925 475 HB VAL 57 HB VAL 57 -3.454 -6.863 -8.017 476 HG11 VAL 57 HG11 VAL 57 -3.743 -9.727 -7.008 477 HG12 VAL 57 HG12 VAL 57 -3.941 -9.192 -8.678 478 HG13 VAL 57 HG13 VAL 57 -5.077 -8.652 -7.442 479 HG21 VAL 57 HG21 VAL 57 -3.039 -7.956 -5.197 480 HG22 VAL 57 HG22 VAL 57 -4.383 -6.936 -5.721 481 HG23 VAL 57 HG23 VAL 57 -2.742 -6.292 -5.713 482 H GLN 58 H GLN 58 -1.323 -6.664 -9.821 483 HA GLN 58 HA GLN 58 -1.579 -8.668 -11.812 484 HB2 GLN 58 HB2 GLN 58 -1.867 -6.142 -12.055 485 HB3 GLN 58 HB3 GLN 58 -0.117 -5.996 -12.041 486 HG2 GLN 58 HG2 GLN 58 -1.551 -7.690 -14.092 487 HG3 GLN 58 HG3 GLN 58 -1.381 -5.957 -14.303 488 HE21 GLN 58 HE21 GLN 58 0.702 -5.099 -14.662 489 HE22 GLN 58 HE22 GLN 58 2.002 -6.085 -15.223 490 H ASN 59 H ASN 59 1.269 -7.255 -10.168 491 HA ASN 59 HA ASN 59 3.208 -8.888 -11.612 492 HB2 ASN 59 HB2 ASN 59 3.580 -6.981 -9.262 493 HB3 ASN 59 HB3 ASN 59 4.892 -7.747 -10.156 494 HD21 ASN 59 HD21 ASN 59 4.352 -4.909 -9.799 495 HD22 ASN 59 HD22 ASN 59 4.155 -4.246 -11.378 496 H ASP 60 H ASP 60 1.097 -9.657 -9.255 497 HA ASP 60 HA ASP 60 0.768 -11.411 -7.890 498 HB2 ASP 60 HB2 ASP 60 3.353 -12.595 -8.954 499 HB3 ASP 60 HB3 ASP 60 2.021 -13.467 -8.205 500 H THR 61 H THR 61 2.678 -9.134 -7.101 501 HA THR 61 HA THR 61 4.264 -10.137 -4.922 502 HB THR 61 HB THR 61 3.292 -7.307 -5.533 503 HG1 THR 61 HG1 THR 61 5.311 -8.857 -6.541 504 HG21 THR 61 HG21 THR 61 3.926 -7.498 -3.145 505 HG22 THR 61 HG22 THR 61 5.089 -6.517 -4.038 506 HG23 THR 61 HG23 THR 61 5.486 -8.182 -3.612 507 H LEU 62 H LEU 62 0.988 -8.774 -5.269 508 HA LEU 62 HA LEU 62 0.430 -9.356 -2.407 509 HB2 LEU 62 HB2 LEU 62 -0.939 -7.292 -4.180 510 HB3 LEU 62 HB3 LEU 62 -1.357 -7.645 -2.507 511 HG LEU 62 HG LEU 62 1.210 -6.352 -3.507 512 HD11 LEU 62 HD11 LEU 62 0.443 -4.393 -2.254 513 HD12 LEU 62 HD12 LEU 62 -1.036 -5.241 -1.797 514 HD13 LEU 62 HD13 LEU 62 -0.723 -4.855 -3.492 515 HD21 LEU 62 HD21 LEU 62 1.858 -6.113 -1.129 516 HD22 LEU 62 HD22 LEU 62 1.788 -7.798 -1.636 517 HD23 LEU 62 HD23 LEU 62 0.483 -7.121 -0.658 518 H LEU 63 H LEU 63 -1.573 -10.211 -1.849 519 HA LEU 63 HA LEU 63 -3.183 -11.549 -3.957 520 HB2 LEU 63 HB2 LEU 63 -2.698 -12.308 -1.043 521 HB3 LEU 63 HB3 LEU 63 -3.878 -13.109 -2.072 522 HG LEU 63 HG LEU 63 -0.883 -13.065 -2.641 523 HD11 LEU 63 HD11 LEU 63 -2.520 -15.292 -1.384 524 HD12 LEU 63 HD12 LEU 63 -1.294 -14.311 -0.577 525 HD13 LEU 63 HD13 LEU 63 -0.826 -15.401 -1.879 526 HD21 LEU 63 HD21 LEU 63 -2.259 -13.352 -4.659 527 HD22 LEU 63 HD22 LEU 63 -3.111 -14.703 -3.907 528 HD23 LEU 63 HD23 LEU 63 -1.389 -14.837 -4.275 529 H GLN 64 H GLN 64 -5.283 -10.889 -4.146 530 HA GLN 64 HA GLN 64 -6.359 -8.882 -2.328 531 HB2 GLN 64 HB2 GLN 64 -8.286 -8.739 -3.864 532 HB3 GLN 64 HB3 GLN 64 -6.753 -8.528 -4.706 533 HG2 GLN 64 HG2 GLN 64 -6.901 -10.765 -5.638 534 HG3 GLN 64 HG3 GLN 64 -8.344 -11.112 -4.683 535 HE21 GLN 64 HE21 GLN 64 -9.617 -11.540 -6.510 536 HE22 GLN 64 HE22 GLN 64 -10.114 -10.306 -7.608 537 H VAL 65 H VAL 65 -7.930 -9.149 -0.888 538 HA VAL 65 HA VAL 65 -9.131 -11.815 -0.395 539 HB VAL 65 HB VAL 65 -8.028 -9.927 1.755 540 HG11 VAL 65 HG11 VAL 65 -8.469 -11.764 3.359 541 HG12 VAL 65 HG12 VAL 65 -9.190 -12.726 2.067 542 HG13 VAL 65 HG13 VAL 65 -9.961 -11.224 2.580 543 HG21 VAL 65 HG21 VAL 65 -6.193 -10.982 0.489 544 HG22 VAL 65 HG22 VAL 65 -6.885 -12.578 0.792 545 HG23 VAL 65 HG23 VAL 65 -6.264 -11.618 2.134 546 H LYS 66 H LYS 66 -11.228 -11.775 0.332 547 HA LYS 66 HA LYS 66 -12.517 -9.274 1.154 548 HB2 LYS 66 HB2 LYS 66 -14.591 -10.114 -0.276 549 HB3 LYS 66 HB3 LYS 66 -13.320 -9.174 -1.028 550 HG2 LYS 66 HG2 LYS 66 -13.884 -10.940 -2.536 551 HG3 LYS 66 HG3 LYS 66 -12.290 -11.288 -1.870 552 HD2 LYS 66 HD2 LYS 66 -13.436 -12.883 -0.243 553 HD3 LYS 66 HD3 LYS 66 -14.929 -12.628 -1.154 554 HE2 LYS 66 HE2 LYS 66 -12.335 -13.803 -2.223 555 HE3 LYS 66 HE3 LYS 66 -13.827 -14.683 -1.896 556 HZ1 LYS 66 HZ1 LYS 66 -14.915 -13.421 -3.645 557 HZ2 LYS 66 HZ2 LYS 66 -13.544 -14.209 -4.249 558 HZ3 LYS 66 HZ3 LYS 66 -13.497 -12.547 -3.944 559 H GLY 67 H GLY 67 -14.834 -9.814 2.010 560 HA2 GLY 67 HA2 GLY 67 -16.170 -11.240 3.390 561 HA3 GLY 67 HA3 GLY 67 -14.781 -12.287 3.655 562 H THR 68 H THR 68 -12.963 -10.075 4.179 563 HA THR 68 HA THR 68 -13.540 -9.457 6.964 564 HB THR 68 HB THR 68 -11.251 -8.376 6.898 565 HG1 THR 68 HG1 THR 68 -10.104 -8.356 5.024 566 HG21 THR 68 HG21 THR 68 -11.308 -11.190 5.736 567 HG22 THR 68 HG22 THR 68 -11.399 -10.791 7.453 568 HG23 THR 68 HG23 THR 68 -9.929 -10.434 6.543 569 H GLY 69 H GLY 69 -12.777 -7.515 4.038 570 HA2 GLY 69 HA2 GLY 69 -14.374 -5.239 5.099 571 HA3 GLY 69 HA3 GLY 69 -12.771 -4.993 4.421 572 H ALA 70 H ALA 70 -15.327 -3.859 3.546 573 HA ALA 70 HA ALA 70 -16.452 -5.121 1.290 574 HB1 ALA 70 HB1 ALA 70 -16.418 -2.151 1.935 575 HB2 ALA 70 HB2 ALA 70 -17.580 -3.324 2.555 576 HB3 ALA 70 HB3 ALA 70 -17.532 -2.962 0.829 577 H ASN 71 H ASN 71 -13.952 -2.585 1.448 578 HA ASN 71 HA ASN 71 -13.610 -2.404 -1.429 579 HB2 ASN 71 HB2 ASN 71 -11.938 -1.207 0.821 580 HB3 ASN 71 HB3 ASN 71 -11.849 -0.753 -0.880 581 HD21 ASN 71 HD21 ASN 71 -14.611 -0.665 -1.485 582 HD22 ASN 71 HD22 ASN 71 -15.308 0.641 -0.600 583 H GLY 72 H GLY 72 -12.545 -4.679 0.773 584 HA2 GLY 72 HA2 GLY 72 -11.332 -6.591 0.169 585 HA3 GLY 72 HA3 GLY 72 -10.518 -5.686 -1.096 586 H SER 73 H SER 73 -9.653 -7.404 1.308 587 HA SER 73 HA SER 73 -7.610 -5.604 2.447 588 HB2 SER 73 HB2 SER 73 -8.438 -8.428 3.222 589 HB3 SER 73 HB3 SER 73 -7.082 -7.562 3.948 590 HG SER 73 HG SER 73 -8.424 -6.310 5.011 591 H PHE 74 H PHE 74 -5.343 -6.258 2.373 592 HA PHE 74 HA PHE 74 -4.599 -7.880 0.019 593 HB2 PHE 74 HB2 PHE 74 -3.569 -5.042 0.501 594 HB3 PHE 74 HB3 PHE 74 -3.206 -6.075 -0.881 595 HD1 PHE 74 HD1 PHE 74 -5.277 -6.838 -2.336 596 HD2 PHE 74 HD2 PHE 74 -5.343 -3.477 0.319 597 HE1 PHE 74 HE1 PHE 74 -7.227 -5.925 -3.531 598 HE2 PHE 74 HE2 PHE 74 -7.288 -2.569 -0.889 599 HZ PHE 74 HZ PHE 74 -8.233 -3.792 -2.811 600 H LYS 75 H LYS 75 -2.761 -9.024 0.290 601 HA LYS 75 HA LYS 75 -1.002 -8.541 2.627 602 HB2 LYS 75 HB2 LYS 75 -1.065 -10.984 3.171 603 HB3 LYS 75 HB3 LYS 75 -2.622 -10.192 3.392 604 HG2 LYS 75 HG2 LYS 75 -3.401 -11.102 1.232 605 HG3 LYS 75 HG3 LYS 75 -1.841 -11.896 1.004 606 HD2 LYS 75 HD2 LYS 75 -2.249 -13.255 3.042 607 HD3 LYS 75 HD3 LYS 75 -3.815 -12.463 3.250 608 HE2 LYS 75 HE2 LYS 75 -4.529 -13.385 1.039 609 HE3 LYS 75 HE3 LYS 75 -2.982 -14.225 0.921 610 HZ1 LYS 75 HZ1 LYS 75 -3.545 -15.452 2.921 611 HZ2 LYS 75 HZ2 LYS 75 -4.720 -15.673 1.725 612 HZ3 LYS 75 HZ3 LYS 75 -5.025 -14.644 3.027 613 H LEU 76 H LEU 76 0.996 -9.882 2.559 614 HA LEU 76 HA LEU 76 2.300 -9.713 0.006 615 HB2 LEU 76 HB2 LEU 76 3.295 -10.960 2.604 616 HB3 LEU 76 HB3 LEU 76 4.290 -10.568 1.205 617 HG LEU 76 HG LEU 76 2.860 -8.573 3.012 618 HD11 LEU 76 HD11 LEU 76 5.826 -9.094 2.651 619 HD12 LEU 76 HD12 LEU 76 4.850 -9.527 4.056 620 HD13 LEU 76 HD13 LEU 76 5.104 -7.832 3.654 621 HD21 LEU 76 HD21 LEU 76 3.961 -6.803 1.690 622 HD22 LEU 76 HD22 LEU 76 2.826 -7.735 0.721 623 HD23 LEU 76 HD23 LEU 76 4.561 -8.017 0.556 624 H ASN 77 H ASN 77 2.622 -11.285 -1.499 625 HA ASN 77 HA ASN 77 1.233 -13.803 -1.263 626 HB2 ASN 77 HB2 ASN 77 1.365 -12.355 -3.368 627 HB3 ASN 77 HB3 ASN 77 3.023 -12.905 -3.561 628 HD21 ASN 77 HD21 ASN 77 1.124 -13.313 -5.512 629 HD22 ASN 77 HD22 ASN 77 0.770 -14.995 -5.633 630 H ARG 78 H ARG 78 2.244 -15.163 0.153 631 HA ARG 78 HA ARG 78 5.100 -15.816 -0.113 632 HB2 ARG 78 HB2 ARG 78 4.078 -15.405 2.148 633 HB3 ARG 78 HB3 ARG 78 3.032 -16.796 1.912 634 HG2 ARG 78 HG2 ARG 78 4.863 -17.416 3.368 635 HG3 ARG 78 HG3 ARG 78 5.038 -18.268 1.834 636 HD2 ARG 78 HD2 ARG 78 6.675 -16.427 1.146 637 HD3 ARG 78 HD3 ARG 78 6.624 -15.876 2.825 638 HE ARG 78 HE ARG 78 7.771 -18.376 1.799 639 HH11 ARG 78 HH11 ARG 78 7.242 -16.366 4.590 640 HH12 ARG 78 HH12 ARG 78 8.422 -17.211 5.527 641 HH21 ARG 78 HH21 ARG 78 9.257 -19.400 3.026 642 HH22 ARG 78 HH22 ARG 78 9.547 -18.891 4.653 643 H LYS 79 H LYS 79 2.293 -16.830 -1.603 644 HA LYS 79 HA LYS 79 3.179 -19.642 -1.966 645 HB2 LYS 79 HB2 LYS 79 0.854 -20.416 -1.707 646 HB3 LYS 79 HB3 LYS 79 1.405 -19.608 -0.244 647 HG2 LYS 79 HG2 LYS 79 0.154 -17.607 -0.811 648 HG3 LYS 79 HG3 LYS 79 -0.313 -18.281 -2.369 649 HD2 LYS 79 HD2 LYS 79 -1.126 -19.436 0.333 650 HD3 LYS 79 HD3 LYS 79 -2.150 -18.406 -0.674 651 HE2 LYS 79 HE2 LYS 79 -2.136 -20.103 -2.452 652 HE3 LYS 79 HE3 LYS 79 -1.043 -21.116 -1.510 653 HZ1 LYS 79 HZ1 LYS 79 -2.741 -21.374 0.151 654 HZ2 LYS 79 HZ2 LYS 79 -3.345 -21.832 -1.363 655 HZ3 LYS 79 HZ3 LYS 79 -3.780 -20.345 -0.696 656 H LYS 80 H LYS 80 3.480 -17.369 -3.805 657 HA LYS 80 HA LYS 80 1.645 -17.328 -5.931 658 HB2 LYS 80 HB2 LYS 80 3.636 -15.793 -5.649 659 HB3 LYS 80 HB3 LYS 80 4.669 -17.114 -6.197 660 HG2 LYS 80 HG2 LYS 80 3.384 -17.142 -8.357 661 HG3 LYS 80 HG3 LYS 80 2.489 -15.730 -7.795 662 HD2 LYS 80 HD2 LYS 80 4.236 -15.000 -9.284 663 HD3 LYS 80 HD3 LYS 80 4.640 -14.472 -7.649 664 HE2 LYS 80 HE2 LYS 80 6.284 -16.257 -7.431 665 HE3 LYS 80 HE3 LYS 80 5.788 -16.960 -8.972 666 HZ1 LYS 80 HZ1 LYS 80 7.787 -15.722 -9.271 667 HZ2 LYS 80 HZ2 LYS 80 7.112 -14.339 -8.572 668 HZ3 LYS 80 HZ3 LYS 80 6.532 -14.901 -10.056 669 H LEU 81 H LEU 81 3.878 -19.757 -4.990 670 HA LEU 81 HA LEU 81 4.231 -21.311 -7.334 671 HB2 LEU 81 HB2 LEU 81 5.463 -21.328 -5.068 672 HB3 LEU 81 HB3 LEU 81 4.144 -22.302 -4.459 673 HG LEU 81 HG LEU 81 5.955 -23.184 -6.753 674 HD11 LEU 81 HD11 LEU 81 7.165 -24.555 -5.089 675 HD12 LEU 81 HD12 LEU 81 6.222 -23.811 -3.791 676 HD13 LEU 81 HD13 LEU 81 7.322 -22.828 -4.761 677 HD21 LEU 81 HD21 LEU 81 4.082 -24.812 -4.986 678 HD22 LEU 81 HD22 LEU 81 5.151 -25.460 -6.234 679 HD23 LEU 81 HD23 LEU 81 3.815 -24.404 -6.683 680 H GLU 82 H GLU 82 1.840 -21.457 -4.710 681 HA GLU 82 HA GLU 82 0.137 -23.375 -6.194 682 HB2 GLU 82 HB2 GLU 82 0.157 -22.604 -3.240 683 HB3 GLU 82 HB3 GLU 82 -0.930 -23.786 -3.976 684 HG2 GLU 82 HG2 GLU 82 0.968 -25.233 -4.538 685 HG3 GLU 82 HG3 GLU 82 2.101 -24.035 -3.903 686 H GLY 83 H GLY 83 0.385 -20.274 -6.404 687 HA2 GLY 83 HA2 GLY 83 -2.156 -19.178 -5.630 688 HA3 GLY 83 HA3 GLY 83 -0.975 -18.436 -6.690 Start of MODEL 20 1 H1 SER 1 H1 SER 1 15.053 3.725 -13.043 2 H2 SER 1 H2 SER 1 14.736 3.579 -11.391 3 H3 SER 1 H3 SER 1 13.789 4.600 -12.343 4 HA SER 1 HA SER 1 12.623 2.563 -11.810 5 HB2 SER 1 HB2 SER 1 13.367 2.815 -14.757 6 HB3 SER 1 HB3 SER 1 11.916 2.029 -14.126 7 HG SER 1 HG SER 1 11.555 4.200 -14.818 8 H HIS 2 H HIS 2 15.723 2.050 -13.415 9 HA HIS 2 HA HIS 2 15.619 -0.721 -13.864 10 HB2 HIS 2 HB2 HIS 2 17.293 0.629 -14.984 11 HB3 HIS 2 HB3 HIS 2 17.993 1.142 -13.454 12 HD1 HIS 2 HD1 HIS 2 20.033 -0.103 -12.802 13 HD2 HIS 2 HD2 HIS 2 17.638 -2.364 -15.336 14 HE1 HIS 2 HE1 HIS 2 21.287 -2.237 -13.179 15 HE2 HIS 2 HE2 HIS 2 19.731 -3.658 -14.537 16 H MET 3 H MET 3 16.875 1.072 -11.026 17 HA MET 3 HA MET 3 17.639 -1.357 -9.627 18 HB2 MET 3 HB2 MET 3 18.902 0.781 -9.350 19 HB3 MET 3 HB3 MET 3 17.494 1.504 -8.579 20 HG2 MET 3 HG2 MET 3 17.656 -0.091 -6.733 21 HG3 MET 3 HG3 MET 3 19.007 -0.905 -7.528 22 HE1 MET 3 HE1 MET 3 20.871 0.803 -4.554 23 HE2 MET 3 HE2 MET 3 20.575 -0.704 -5.422 24 HE3 MET 3 HE3 MET 3 19.273 0.056 -4.501 25 H GLN 4 H GLN 4 15.414 1.280 -8.663 26 HA GLN 4 HA GLN 4 13.535 -0.676 -7.453 27 HB2 GLN 4 HB2 GLN 4 14.205 2.152 -6.511 28 HB3 GLN 4 HB3 GLN 4 12.980 1.111 -5.788 29 HG2 GLN 4 HG2 GLN 4 14.687 -0.462 -5.050 30 HG3 GLN 4 HG3 GLN 4 15.943 0.450 -5.888 31 HE21 GLN 4 HE21 GLN 4 15.673 -0.234 -3.024 32 HE22 GLN 4 HE22 GLN 4 15.738 1.272 -2.187 33 HA PRO 5 HA PRO 5 11.058 1.227 -10.855 34 HB2 PRO 5 HB2 PRO 5 8.999 -0.736 -9.882 35 HB3 PRO 5 HB3 PRO 5 9.633 -0.477 -11.514 36 HG2 PRO 5 HG2 PRO 5 10.374 -2.622 -10.102 37 HG3 PRO 5 HG3 PRO 5 11.555 -1.763 -11.118 38 HD2 PRO 5 HD2 PRO 5 11.158 -1.601 -8.122 39 HD3 PRO 5 HD3 PRO 5 12.672 -1.721 -9.050 40 H GLY 6 H GLY 6 9.523 0.437 -7.689 41 HA2 GLY 6 HA2 GLY 6 8.057 3.025 -7.743 42 HA3 GLY 6 HA3 GLY 6 7.197 1.520 -7.465 43 H LYS 7 H LYS 7 8.626 4.112 -5.958 44 HA LYS 7 HA LYS 7 9.574 2.874 -3.529 45 HB2 LYS 7 HB2 LYS 7 10.312 5.139 -4.464 46 HB3 LYS 7 HB3 LYS 7 8.770 5.788 -3.911 47 HG2 LYS 7 HG2 LYS 7 9.353 5.264 -1.590 48 HG3 LYS 7 HG3 LYS 7 10.864 4.512 -2.120 49 HD2 LYS 7 HD2 LYS 7 11.590 6.729 -3.047 50 HD3 LYS 7 HD3 LYS 7 10.111 7.451 -2.401 51 HE2 LYS 7 HE2 LYS 7 12.081 7.838 -0.941 52 HE3 LYS 7 HE3 LYS 7 10.813 6.931 -0.123 53 HZ1 LYS 7 HZ1 LYS 7 13.240 5.746 -1.350 54 HZ2 LYS 7 HZ2 LYS 7 12.043 4.907 -0.500 55 HZ3 LYS 7 HZ3 LYS 7 13.017 6.031 0.301 56 H TYR 8 H TYR 8 6.545 4.410 -4.569 57 HA TYR 8 HA TYR 8 5.042 4.177 -2.162 58 HB2 TYR 8 HB2 TYR 8 4.387 4.610 -5.071 59 HB3 TYR 8 HB3 TYR 8 3.080 4.016 -4.063 60 HD1 TYR 8 HD2 TYR 8 5.467 6.874 -4.490 61 HD2 TYR 8 HD1 TYR 8 1.914 5.457 -2.579 62 HE1 TYR 8 HE2 TYR 8 4.945 9.166 -3.739 63 HE2 TYR 8 HE1 TYR 8 1.402 7.729 -1.839 64 HH TYR 8 HH TYR 8 2.397 9.804 -1.462 65 H SER 9 H SER 9 5.532 1.997 -4.915 66 HA SER 9 HA SER 9 3.828 -0.122 -4.206 67 HB2 SER 9 HB2 SER 9 4.851 0.070 -6.429 68 HB3 SER 9 HB3 SER 9 6.461 -0.157 -5.746 69 HG SER 9 HG SER 9 4.471 -2.001 -6.284 70 H GLN 10 H GLN 10 7.291 0.343 -3.510 71 HA GLN 10 HA GLN 10 7.687 -1.943 -1.880 72 HB2 GLN 10 HB2 GLN 10 9.509 -0.695 -3.014 73 HB3 GLN 10 HB3 GLN 10 9.239 0.677 -1.947 74 HG2 GLN 10 HG2 GLN 10 9.944 -0.665 -0.013 75 HG3 GLN 10 HG3 GLN 10 10.148 -2.077 -1.049 76 HE21 GLN 10 HE21 GLN 10 11.450 1.052 -0.200 77 HE22 GLN 10 HE22 GLN 10 12.994 0.818 -0.931 78 H LEU 11 H LEU 11 6.634 1.356 -1.139 79 HA LEU 11 HA LEU 11 6.705 1.310 1.676 80 HB2 LEU 11 HB2 LEU 11 6.364 3.374 0.366 81 HB3 LEU 11 HB3 LEU 11 4.807 2.786 -0.188 82 HG LEU 11 HG LEU 11 3.959 2.891 2.181 83 HD11 LEU 11 HD11 LEU 11 6.622 4.216 2.795 84 HD12 LEU 11 HD12 LEU 11 6.063 2.651 3.395 85 HD13 LEU 11 HD13 LEU 11 5.233 4.126 3.884 86 HD21 LEU 11 HD21 LEU 11 5.017 5.530 1.100 87 HD22 LEU 11 HD22 LEU 11 3.707 5.335 2.267 88 HD23 LEU 11 HD23 LEU 11 3.512 4.739 0.621 89 H VAL 12 H VAL 12 4.143 0.264 -0.594 90 HA VAL 12 HA VAL 12 2.177 -0.503 1.308 91 HB VAL 12 HB VAL 12 2.662 -1.598 -1.508 92 HG11 VAL 12 HG11 VAL 12 0.305 -2.386 -1.448 93 HG12 VAL 12 HG12 VAL 12 0.183 -1.902 0.245 94 HG13 VAL 12 HG13 VAL 12 1.290 -3.195 -0.227 95 HG21 VAL 12 HG21 VAL 12 2.214 0.835 -1.482 96 HG22 VAL 12 HG22 VAL 12 0.730 0.566 -0.564 97 HG23 VAL 12 HG23 VAL 12 0.869 -0.044 -2.216 98 H VAL 13 H VAL 13 4.731 -2.410 -0.304 99 HA VAL 13 HA VAL 13 4.319 -4.939 0.818 100 HB VAL 13 HB VAL 13 6.937 -3.612 -0.036 101 HG11 VAL 13 HG11 VAL 13 7.900 -5.909 -0.232 102 HG12 VAL 13 HG12 VAL 13 6.444 -6.571 0.514 103 HG13 VAL 13 HG13 VAL 13 7.497 -5.498 1.438 104 HG21 VAL 13 HG21 VAL 13 6.628 -4.878 -2.154 105 HG22 VAL 13 HG22 VAL 13 5.269 -3.794 -1.853 106 HG23 VAL 13 HG23 VAL 13 5.098 -5.524 -1.547 107 H GLU 14 H GLU 14 6.340 -2.278 2.034 108 HA GLU 14 HA GLU 14 7.222 -3.420 4.449 109 HB2 GLU 14 HB2 GLU 14 6.885 -0.549 3.524 110 HB3 GLU 14 HB3 GLU 14 7.417 -0.910 5.164 111 HG2 GLU 14 HG2 GLU 14 8.831 -1.860 2.651 112 HG3 GLU 14 HG3 GLU 14 9.290 -0.435 3.584 113 H THR 15 H THR 15 4.368 -1.365 3.800 114 HA THR 15 HA THR 15 3.531 -0.947 6.441 115 HB THR 15 HB THR 15 1.920 -0.909 3.858 116 HG1 THR 15 HG1 THR 15 3.038 0.885 3.713 117 HG21 THR 15 HG21 THR 15 1.077 0.051 6.616 118 HG22 THR 15 HG22 THR 15 0.320 -1.241 5.681 119 HG23 THR 15 HG23 THR 15 0.235 0.428 5.114 120 H ILE 16 H ILE 16 2.397 -3.418 4.113 121 HA ILE 16 HA ILE 16 0.446 -4.680 5.723 122 HB ILE 16 HB ILE 16 2.141 -5.859 3.470 123 HG12 ILE 16 HG12 ILE 16 -0.666 -4.645 3.353 124 HG13 ILE 16 HG13 ILE 16 0.802 -3.826 2.833 125 HG21 ILE 16 HG21 ILE 16 0.359 -7.563 3.207 126 HG22 ILE 16 HG22 ILE 16 -0.467 -6.925 4.628 127 HG23 ILE 16 HG23 ILE 16 1.124 -7.670 4.795 128 HD11 ILE 16 HD11 ILE 16 -0.354 -6.330 1.607 129 HD12 ILE 16 HD12 ILE 16 1.115 -5.500 1.079 130 HD13 ILE 16 HD13 ILE 16 -0.448 -4.695 0.951 131 H ARG 17 H ARG 17 3.899 -5.346 5.287 132 HA ARG 17 HA ARG 17 4.118 -7.630 6.955 133 HB2 ARG 17 HB2 ARG 17 5.804 -7.102 5.263 134 HB3 ARG 17 HB3 ARG 17 6.195 -5.588 6.079 135 HG2 ARG 17 HG2 ARG 17 6.989 -6.908 8.050 136 HG3 ARG 17 HG3 ARG 17 6.686 -8.389 7.142 137 HD2 ARG 17 HD2 ARG 17 8.417 -7.884 5.571 138 HD3 ARG 17 HD3 ARG 17 8.560 -6.221 6.157 139 HE ARG 17 HE ARG 17 9.187 -7.501 8.373 140 HH11 ARG 17 HH11 ARG 17 10.236 -8.335 5.182 141 HH12 ARG 17 HH12 ARG 17 11.772 -8.902 5.734 142 HH21 ARG 17 HH21 ARG 17 11.137 -8.213 9.037 143 HH22 ARG 17 HH22 ARG 17 12.276 -8.827 7.888 144 H ARG 18 H ARG 18 4.535 -4.152 7.618 145 HA ARG 18 HA ARG 18 5.556 -4.401 10.282 146 HB2 ARG 18 HB2 ARG 18 4.350 -2.023 8.812 147 HB3 ARG 18 HB3 ARG 18 5.069 -1.915 10.419 148 HG2 ARG 18 HG2 ARG 18 7.252 -2.594 9.528 149 HG3 ARG 18 HG3 ARG 18 6.555 -2.801 7.920 150 HD2 ARG 18 HD2 ARG 18 6.005 -0.373 7.871 151 HD3 ARG 18 HD3 ARG 18 6.767 -0.190 9.458 152 HE ARG 18 HE ARG 18 8.379 -1.255 7.234 153 HH11 ARG 18 HH11 ARG 18 7.777 1.368 9.417 154 HH12 ARG 18 HH12 ARG 18 9.218 2.205 8.960 155 HH21 ARG 18 HH21 ARG 18 10.200 -0.158 6.672 156 HH22 ARG 18 HH22 ARG 18 10.565 1.358 7.437 157 H LEU 19 H LEU 19 2.306 -4.053 8.944 158 HA LEU 19 HA LEU 19 0.873 -3.773 11.396 159 HB2 LEU 19 HB2 LEU 19 0.074 -4.793 8.648 160 HB3 LEU 19 HB3 LEU 19 -1.078 -4.693 9.973 161 HG LEU 19 HG LEU 19 0.431 -2.304 8.823 162 HD11 LEU 19 HD11 LEU 19 -1.680 -1.637 7.787 163 HD12 LEU 19 HD12 LEU 19 -2.466 -3.106 8.373 164 HD13 LEU 19 HD13 LEU 19 -1.163 -3.212 7.183 165 HD21 LEU 19 HD21 LEU 19 -1.836 -2.426 10.849 166 HD22 LEU 19 HD22 LEU 19 -1.144 -0.952 10.164 167 HD23 LEU 19 HD23 LEU 19 -0.156 -1.993 11.185 168 H GLY 20 H GLY 20 2.414 -6.495 9.892 169 HA2 GLY 20 HA2 GLY 20 2.704 -8.674 10.584 170 HA3 GLY 20 HA3 GLY 20 1.796 -8.304 12.044 171 H GLU 21 H GLU 21 0.491 -7.739 8.837 172 HA GLU 21 HA GLU 21 -1.815 -9.372 9.401 173 HB2 GLU 21 HB2 GLU 21 -1.038 -7.669 7.011 174 HB3 GLU 21 HB3 GLU 21 -2.525 -8.618 7.058 175 HG2 GLU 21 HG2 GLU 21 -1.767 -6.396 8.980 176 HG3 GLU 21 HG3 GLU 21 -2.933 -6.280 7.664 177 H ARG 22 H ARG 22 -1.068 -11.482 9.528 178 HA ARG 22 HA ARG 22 0.001 -12.960 7.315 179 HB2 ARG 22 HB2 ARG 22 0.226 -13.751 9.628 180 HB3 ARG 22 HB3 ARG 22 -1.522 -13.841 9.808 181 HG2 ARG 22 HG2 ARG 22 -1.616 -15.674 8.169 182 HG3 ARG 22 HG3 ARG 22 0.136 -15.566 7.924 183 HD2 ARG 22 HD2 ARG 22 -1.265 -16.303 10.527 184 HD3 ARG 22 HD3 ARG 22 -0.457 -17.429 9.434 185 HE ARG 22 HE ARG 22 1.527 -15.712 10.007 186 HH11 ARG 22 HH11 ARG 22 -0.662 -17.331 12.146 187 HH12 ARG 22 HH12 ARG 22 0.511 -17.441 13.406 188 HH21 ARG 22 HH21 ARG 22 2.979 -15.874 11.633 189 HH22 ARG 22 HH22 ARG 22 2.538 -16.620 13.124 190 H ASN 23 H ASN 23 -3.185 -11.938 8.290 191 HA ASN 23 HA ASN 23 -4.634 -13.600 6.403 192 HB2 ASN 23 HB2 ASN 23 -5.627 -12.998 8.592 193 HB3 ASN 23 HB3 ASN 23 -5.594 -11.293 8.150 194 HD21 ASN 23 HD21 ASN 23 -7.053 -14.406 7.419 195 HD22 ASN 23 HD22 ASN 23 -8.457 -13.763 6.644 196 H GLY 24 H GLY 24 -4.178 -10.036 6.772 197 HA2 GLY 24 HA2 GLY 24 -3.317 -9.224 4.370 198 HA3 GLY 24 HA3 GLY 24 -5.004 -9.552 3.995 199 H SER 25 H SER 25 -3.374 -7.019 4.100 200 HA SER 25 HA SER 25 -4.724 -5.365 6.119 201 HB2 SER 25 HB2 SER 25 -2.567 -4.585 4.092 202 HB3 SER 25 HB3 SER 25 -3.124 -3.616 5.459 203 HG SER 25 HG SER 25 -1.758 -6.097 5.567 204 H SER 26 H SER 26 -6.647 -4.407 5.503 205 HA SER 26 HA SER 26 -7.550 -4.040 2.825 206 HB2 SER 26 HB2 SER 26 -9.350 -2.678 3.803 207 HB3 SER 26 HB3 SER 26 -9.077 -4.102 4.802 208 HG SER 26 HG SER 26 -9.194 -2.435 6.200 209 H LEU 27 H LEU 27 -7.985 -1.896 1.775 210 HA LEU 27 HA LEU 27 -5.715 -0.307 1.411 211 HB2 LEU 27 HB2 LEU 27 -7.584 -0.479 -0.214 212 HB3 LEU 27 HB3 LEU 27 -8.610 0.445 0.868 213 HG LEU 27 HG LEU 27 -7.131 2.439 0.564 214 HD11 LEU 27 HD11 LEU 27 -5.620 0.718 -1.429 215 HD12 LEU 27 HD12 LEU 27 -5.005 1.358 0.098 216 HD13 LEU 27 HD13 LEU 27 -5.415 2.461 -1.212 217 HD21 LEU 27 HD21 LEU 27 -9.115 2.185 -0.869 218 HD22 LEU 27 HD22 LEU 27 -8.156 1.300 -2.060 219 HD23 LEU 27 HD23 LEU 27 -7.807 2.998 -1.729 220 H ALA 28 H ALA 28 -8.387 0.125 3.691 221 HA ALA 28 HA ALA 28 -7.762 2.693 4.727 222 HB1 ALA 28 HB1 ALA 28 -9.079 0.329 6.124 223 HB2 ALA 28 HB2 ALA 28 -9.907 1.554 5.161 224 HB3 ALA 28 HB3 ALA 28 -9.126 2.009 6.676 225 H LYS 29 H LYS 29 -6.872 -0.577 5.953 226 HA LYS 29 HA LYS 29 -5.195 0.136 8.081 227 HB2 LYS 29 HB2 LYS 29 -5.174 -2.306 6.255 228 HB3 LYS 29 HB3 LYS 29 -4.161 -2.183 7.690 229 HG2 LYS 29 HG2 LYS 29 -7.173 -1.944 7.809 230 HG3 LYS 29 HG3 LYS 29 -6.348 -3.498 7.893 231 HD2 LYS 29 HD2 LYS 29 -5.860 -1.188 9.823 232 HD3 LYS 29 HD3 LYS 29 -6.968 -2.529 10.135 233 HE2 LYS 29 HE2 LYS 29 -3.963 -2.772 9.696 234 HE3 LYS 29 HE3 LYS 29 -4.795 -2.899 11.248 235 HZ1 LYS 29 HZ1 LYS 29 -4.287 -5.077 10.348 236 HZ2 LYS 29 HZ2 LYS 29 -5.152 -4.738 8.937 237 HZ3 LYS 29 HZ3 LYS 29 -5.959 -4.852 10.415 238 H ILE 30 H ILE 30 -4.411 -0.355 4.657 239 HA ILE 30 HA ILE 30 -1.593 -0.158 4.879 240 HB ILE 30 HB ILE 30 -3.393 0.189 2.442 241 HG12 ILE 30 HG12 ILE 30 -1.706 -2.180 3.386 242 HG13 ILE 30 HG13 ILE 30 -3.456 -2.066 3.519 243 HG21 ILE 30 HG21 ILE 30 -0.358 -0.096 2.499 244 HG22 ILE 30 HG22 ILE 30 -1.256 1.341 2.004 245 HG23 ILE 30 HG23 ILE 30 -1.358 -0.136 1.044 246 HD11 ILE 30 HD11 ILE 30 -3.624 -2.088 1.071 247 HD12 ILE 30 HD12 ILE 30 -2.810 -3.518 1.705 248 HD13 ILE 30 HD13 ILE 30 -1.867 -2.227 0.960 249 H TYR 31 H TYR 31 -4.065 2.239 3.865 250 HA TYR 31 HA TYR 31 -2.356 4.403 3.372 251 HB2 TYR 31 HB2 TYR 31 -4.717 4.413 2.660 252 HB3 TYR 31 HB3 TYR 31 -5.247 4.468 4.340 253 HD1 TYR 31 HD2 TYR 31 -3.251 6.379 1.820 254 HD2 TYR 31 HD1 TYR 31 -5.571 6.598 5.403 255 HE1 TYR 31 HE2 TYR 31 -3.105 8.818 1.748 256 HE2 TYR 31 HE1 TYR 31 -5.414 9.064 5.337 257 HH TYR 31 HH TYR 31 -3.706 10.789 4.282 258 H THR 32 H THR 32 -3.931 3.404 6.412 259 HA THR 32 HA THR 32 -3.439 5.602 8.027 260 HB THR 32 HB THR 32 -3.534 2.679 8.881 261 HG1 THR 32 HG1 THR 32 -5.496 3.177 8.081 262 HG21 THR 32 HG21 THR 32 -2.511 4.024 10.690 263 HG22 THR 32 HG22 THR 32 -4.144 3.525 11.140 264 HG23 THR 32 HG23 THR 32 -3.846 5.177 10.595 265 H GLU 33 H GLU 33 -1.197 2.885 7.399 266 HA GLU 33 HA GLU 33 0.866 4.066 9.124 267 HB2 GLU 33 HB2 GLU 33 0.988 1.551 7.423 268 HB3 GLU 33 HB3 GLU 33 2.187 2.058 8.612 269 HG2 GLU 33 HG2 GLU 33 -0.663 1.163 9.123 270 HG3 GLU 33 HG3 GLU 33 0.819 0.323 9.578 271 H ALA 34 H ALA 34 0.067 3.868 5.737 272 HA ALA 34 HA ALA 34 2.665 4.575 4.706 273 HB1 ALA 34 HB1 ALA 34 1.084 3.246 3.384 274 HB2 ALA 34 HB2 ALA 34 1.521 4.730 2.536 275 HB3 ALA 34 HB3 ALA 34 -0.045 4.601 3.343 276 H LYS 35 H LYS 35 -0.003 6.425 5.981 277 HA LYS 35 HA LYS 35 0.806 8.953 4.762 278 HB2 LYS 35 HB2 LYS 35 -1.008 9.970 6.046 279 HB3 LYS 35 HB3 LYS 35 -1.590 8.513 5.244 280 HG2 LYS 35 HG2 LYS 35 -1.477 7.269 7.348 281 HG3 LYS 35 HG3 LYS 35 -0.779 8.669 8.168 282 HD2 LYS 35 HD2 LYS 35 -2.861 9.940 7.806 283 HD3 LYS 35 HD3 LYS 35 -3.564 8.575 6.932 284 HE2 LYS 35 HE2 LYS 35 -3.493 7.210 8.972 285 HE3 LYS 35 HE3 LYS 35 -2.704 8.523 9.848 286 HZ1 LYS 35 HZ1 LYS 35 -5.079 8.388 10.294 287 HZ2 LYS 35 HZ2 LYS 35 -5.418 8.660 8.663 288 HZ3 LYS 35 HZ3 LYS 35 -4.663 9.862 9.577 289 H LYS 36 H LYS 36 2.540 7.290 6.773 290 HA LYS 36 HA LYS 36 3.104 9.395 8.793 291 HB2 LYS 36 HB2 LYS 36 3.582 6.381 8.947 292 HB3 LYS 36 HB3 LYS 36 4.019 7.540 10.203 293 HG2 LYS 36 HG2 LYS 36 1.625 8.096 10.515 294 HG3 LYS 36 HG3 LYS 36 1.195 6.934 9.251 295 HD2 LYS 36 HD2 LYS 36 2.108 5.092 10.619 296 HD3 LYS 36 HD3 LYS 36 2.596 6.242 11.869 297 HE2 LYS 36 HE2 LYS 36 0.213 6.824 12.245 298 HE3 LYS 36 HE3 LYS 36 -0.263 5.659 11.005 299 HZ1 LYS 36 HZ1 LYS 36 -0.478 4.754 13.223 300 HZ2 LYS 36 HZ2 LYS 36 1.164 5.008 13.529 301 HZ3 LYS 36 HZ3 LYS 36 0.682 3.896 12.345 302 H VAL 37 H VAL 37 4.266 9.060 5.967 303 HA VAL 37 HA VAL 37 7.136 8.788 6.685 304 HB VAL 37 HB VAL 37 6.781 8.591 3.778 305 HG11 VAL 37 HG11 VAL 37 7.795 6.550 5.793 306 HG12 VAL 37 HG12 VAL 37 8.763 7.789 4.983 307 HG13 VAL 37 HG13 VAL 37 8.026 6.492 4.041 308 HG21 VAL 37 HG21 VAL 37 4.530 7.722 4.242 309 HG22 VAL 37 HG22 VAL 37 5.200 6.514 5.339 310 HG23 VAL 37 HG23 VAL 37 5.576 6.446 3.613 311 HA PRO 38 HA PRO 38 7.711 13.157 5.907 312 HB2 PRO 38 HB2 PRO 38 10.422 12.423 4.816 313 HB3 PRO 38 HB3 PRO 38 9.993 13.547 6.114 314 HG2 PRO 38 HG2 PRO 38 11.048 11.161 6.680 315 HG3 PRO 38 HG3 PRO 38 9.753 11.835 7.694 316 HD2 PRO 38 HD2 PRO 38 9.590 9.701 5.570 317 HD3 PRO 38 HD3 PRO 38 8.785 9.777 7.156 318 H TRP 39 H TRP 39 8.451 10.917 3.274 319 HA TRP 39 HA TRP 39 8.463 13.033 1.235 320 HB2 TRP 39 HB2 TRP 39 9.140 11.160 -0.320 321 HB3 TRP 39 HB3 TRP 39 10.244 11.426 1.021 322 HD1 TRP 39 HD1 TRP 39 10.504 9.451 2.827 323 HE1 TRP 39 HE1 TRP 39 9.851 6.964 2.768 324 HE3 TRP 39 HE3 TRP 39 7.262 9.514 -1.146 325 HZ2 TRP 39 HZ2 TRP 39 8.189 5.254 1.266 326 HZ3 TRP 39 HZ3 TRP 39 6.182 7.408 -1.817 327 HH2 TRP 39 HH2 TRP 39 6.633 5.322 -0.633 328 H PHE 40 H PHE 40 6.148 10.979 2.619 329 HA PHE 40 HA PHE 40 4.592 10.224 0.354 330 HB2 PHE 40 HB2 PHE 40 4.464 9.047 2.525 331 HB3 PHE 40 HB3 PHE 40 3.768 10.476 3.277 332 HD1 PHE 40 HD2 PHE 40 3.144 7.822 0.737 333 HD2 PHE 40 HD1 PHE 40 1.385 10.901 3.135 334 HE1 PHE 40 HE2 PHE 40 0.903 7.013 0.152 335 HE2 PHE 40 HE1 PHE 40 -0.853 10.074 2.536 336 HZ PHE 40 HZ PHE 40 -1.095 8.132 1.048 337 H ASP 41 H ASP 41 3.030 11.250 -0.734 338 HA ASP 41 HA ASP 41 2.310 14.029 -0.163 339 HB2 ASP 41 HB2 ASP 41 2.864 13.187 -2.494 340 HB3 ASP 41 HB3 ASP 41 1.397 12.219 -2.454 341 H GLN 42 H GLN 42 0.568 14.476 1.134 342 HA GLN 42 HA GLN 42 -1.239 12.390 2.020 343 HB2 GLN 42 HB2 GLN 42 -1.001 15.334 2.747 344 HB3 GLN 42 HB3 GLN 42 -2.179 14.254 3.488 345 HG2 GLN 42 HG2 GLN 42 0.806 13.715 3.588 346 HG3 GLN 42 HG3 GLN 42 -0.029 14.701 4.786 347 HE21 GLN 42 HE21 GLN 42 0.547 13.241 6.430 348 HE22 GLN 42 HE22 GLN 42 -0.227 11.708 6.607 349 H GLN 43 H GLN 43 -1.433 14.218 -0.735 350 HA GLN 43 HA GLN 43 -4.371 14.611 -0.627 351 HB2 GLN 43 HB2 GLN 43 -2.398 15.661 -2.706 352 HB3 GLN 43 HB3 GLN 43 -4.089 16.124 -2.532 353 HG2 GLN 43 HG2 GLN 43 -1.960 16.670 -0.436 354 HG3 GLN 43 HG3 GLN 43 -2.403 17.810 -1.701 355 HE21 GLN 43 HE21 GLN 43 -3.040 19.356 -0.171 356 HE22 GLN 43 HE22 GLN 43 -4.497 19.205 0.741 357 H ASN 44 H ASN 44 -2.108 13.835 -3.268 358 HA ASN 44 HA ASN 44 -4.030 12.076 -4.587 359 HB2 ASN 44 HB2 ASN 44 -1.212 12.828 -5.498 360 HB3 ASN 44 HB3 ASN 44 -2.528 12.202 -6.492 361 HD21 ASN 44 HD21 ASN 44 -1.266 14.992 -4.825 362 HD22 ASN 44 HD22 ASN 44 -2.284 16.157 -5.592 363 H GLY 45 H GLY 45 -1.496 11.700 -2.353 364 HA2 GLY 45 HA2 GLY 45 -0.036 9.485 -3.248 365 HA3 GLY 45 HA3 GLY 45 -0.227 9.968 -1.573 366 H ARG 46 H ARG 46 -3.159 9.538 -1.571 367 HA ARG 46 HA ARG 46 -3.269 6.780 -0.868 368 HB2 ARG 46 HB2 ARG 46 -4.716 8.464 0.182 369 HB3 ARG 46 HB3 ARG 46 -5.523 8.772 -1.348 370 HG2 ARG 46 HG2 ARG 46 -6.680 6.717 -1.296 371 HG3 ARG 46 HG3 ARG 46 -5.581 6.011 -0.118 372 HD2 ARG 46 HD2 ARG 46 -7.819 6.560 0.828 373 HD3 ARG 46 HD3 ARG 46 -6.492 7.376 1.657 374 HE ARG 46 HE ARG 46 -7.472 9.131 -0.287 375 HH11 ARG 46 HH11 ARG 46 -8.653 7.652 2.617 376 HH12 ARG 46 HH12 ARG 46 -9.685 8.984 2.990 377 HH21 ARG 46 HH21 ARG 46 -8.800 10.823 0.251 378 HH22 ARG 46 HH22 ARG 46 -9.761 10.748 1.686 379 H THR 47 H THR 47 -4.277 8.535 -3.803 380 HA THR 47 HA THR 47 -5.399 6.338 -5.245 381 HB THR 47 HB THR 47 -4.048 8.854 -6.348 382 HG1 THR 47 HG1 THR 47 -6.518 9.252 -6.615 383 HG21 THR 47 HG21 THR 47 -6.002 6.965 -7.725 384 HG22 THR 47 HG22 THR 47 -4.285 7.121 -8.107 385 HG23 THR 47 HG23 THR 47 -5.382 8.473 -8.394 386 H TYR 48 H TYR 48 -2.085 7.671 -5.038 387 HA TYR 48 HA TYR 48 -0.864 5.947 -6.938 388 HB2 TYR 48 HB2 TYR 48 0.418 7.394 -4.581 389 HB3 TYR 48 HB3 TYR 48 1.300 6.660 -5.918 390 HD1 TYR 48 HD1 TYR 48 -0.580 7.595 -8.181 391 HD2 TYR 48 HD2 TYR 48 1.161 9.668 -4.863 392 HE1 TYR 48 HE1 TYR 48 -0.689 9.701 -9.436 393 HE2 TYR 48 HE2 TYR 48 1.040 11.775 -6.124 394 HH TYR 48 HH TYR 48 -0.765 12.103 -8.985 395 H LEU 49 H LEU 49 -1.332 5.613 -3.402 396 HA LEU 49 HA LEU 49 0.057 3.186 -2.976 397 HB2 LEU 49 HB2 LEU 49 -2.451 4.276 -1.632 398 HB3 LEU 49 HB3 LEU 49 -1.611 2.834 -1.076 399 HG LEU 49 HG LEU 49 -0.405 5.631 -1.139 400 HD11 LEU 49 HD11 LEU 49 -2.210 5.468 0.511 401 HD12 LEU 49 HD12 LEU 49 -0.643 5.594 1.305 402 HD13 LEU 49 HD13 LEU 49 -1.463 4.031 1.219 403 HD21 LEU 49 HD21 LEU 49 0.701 3.040 0.023 404 HD22 LEU 49 HD22 LEU 49 1.434 4.639 0.186 405 HD23 LEU 49 HD23 LEU 49 1.312 3.888 -1.403 406 H LYS 50 H LYS 50 -3.389 3.775 -3.651 407 HA LYS 50 HA LYS 50 -4.362 1.174 -3.813 408 HB2 LYS 50 HB2 LYS 50 -5.790 3.131 -3.572 409 HB3 LYS 50 HB3 LYS 50 -5.286 3.773 -5.122 410 HG2 LYS 50 HG2 LYS 50 -6.786 1.148 -4.970 411 HG3 LYS 50 HG3 LYS 50 -7.653 2.681 -4.857 412 HD2 LYS 50 HD2 LYS 50 -6.595 3.336 -7.077 413 HD3 LYS 50 HD3 LYS 50 -5.958 1.695 -7.194 414 HE2 LYS 50 HE2 LYS 50 -7.982 1.863 -8.505 415 HE3 LYS 50 HE3 LYS 50 -8.304 0.834 -7.108 416 HZ1 LYS 50 HZ1 LYS 50 -9.010 3.702 -7.354 417 HZ2 LYS 50 HZ2 LYS 50 -9.334 2.714 -6.019 418 HZ3 LYS 50 HZ3 LYS 50 -10.083 2.404 -7.501 419 H TYR 51 H TYR 51 -2.951 3.184 -6.378 420 HA TYR 51 HA TYR 51 -3.517 1.338 -8.509 421 HB2 TYR 51 HB2 TYR 51 -2.644 4.067 -8.351 422 HB3 TYR 51 HB3 TYR 51 -1.381 3.219 -9.225 423 HD1 TYR 51 HD1 TYR 51 -2.276 1.564 -11.141 424 HD2 TYR 51 HD2 TYR 51 -4.468 4.906 -9.611 425 HE1 TYR 51 HE1 TYR 51 -3.619 1.615 -13.192 426 HE2 TYR 51 HE2 TYR 51 -5.815 4.959 -11.670 427 HH TYR 51 HH TYR 51 -5.638 4.225 -14.018 428 H SER 52 H SER 52 -0.633 2.080 -6.558 429 HA SER 52 HA SER 52 1.174 0.253 -7.743 430 HB2 SER 52 HB2 SER 52 1.027 1.251 -4.868 431 HB3 SER 52 HB3 SER 52 2.371 0.311 -5.512 432 HG SER 52 HG SER 52 1.750 2.959 -5.864 433 H ILE 53 H ILE 53 -1.248 -0.186 -5.183 434 HA ILE 53 HA ILE 53 -0.704 -2.846 -4.426 435 HB ILE 53 HB ILE 53 -3.282 -1.220 -4.345 436 HG12 ILE 53 HG12 ILE 53 -1.393 -2.029 -2.089 437 HG13 ILE 53 HG13 ILE 53 -1.370 -0.464 -2.887 438 HG21 ILE 53 HG21 ILE 53 -3.934 -3.581 -4.410 439 HG22 ILE 53 HG22 ILE 53 -4.230 -2.905 -2.808 440 HG23 ILE 53 HG23 ILE 53 -2.829 -3.945 -3.080 441 HD11 ILE 53 HD11 ILE 53 -2.493 -0.343 -0.754 442 HD12 ILE 53 HD12 ILE 53 -3.640 -1.585 -1.253 443 HD13 ILE 53 HD13 ILE 53 -3.629 -0.015 -2.063 444 H LYS 54 H LYS 54 -3.121 -1.584 -6.766 445 HA LYS 54 HA LYS 54 -4.080 -4.050 -7.723 446 HB2 LYS 54 HB2 LYS 54 -5.327 -2.012 -8.130 447 HB3 LYS 54 HB3 LYS 54 -3.994 -1.303 -9.035 448 HG2 LYS 54 HG2 LYS 54 -4.339 -2.789 -10.894 449 HG3 LYS 54 HG3 LYS 54 -5.455 -3.797 -9.970 450 HD2 LYS 54 HD2 LYS 54 -6.004 -0.893 -10.719 451 HD3 LYS 54 HD3 LYS 54 -6.558 -2.277 -11.667 452 HE2 LYS 54 HE2 LYS 54 -7.842 -3.084 -9.674 453 HE3 LYS 54 HE3 LYS 54 -7.327 -1.645 -8.790 454 HZ1 LYS 54 HZ1 LYS 54 -9.528 -1.385 -9.689 455 HZ2 LYS 54 HZ2 LYS 54 -8.969 -1.686 -11.254 456 HZ3 LYS 54 HZ3 LYS 54 -8.471 -0.298 -10.432 457 H ALA 55 H ALA 55 -1.363 -2.057 -8.814 458 HA ALA 55 HA ALA 55 -0.552 -3.584 -11.053 459 HB1 ALA 55 HB1 ALA 55 1.135 -1.827 -9.241 460 HB2 ALA 55 HB2 ALA 55 0.211 -1.279 -10.642 461 HB3 ALA 55 HB3 ALA 55 1.580 -2.372 -10.863 462 H LEU 56 H LEU 56 0.245 -3.881 -7.585 463 HA LEU 56 HA LEU 56 2.200 -5.972 -7.912 464 HB2 LEU 56 HB2 LEU 56 0.708 -4.975 -5.463 465 HB3 LEU 56 HB3 LEU 56 1.933 -6.234 -5.395 466 HG LEU 56 HG LEU 56 2.404 -3.354 -6.264 467 HD11 LEU 56 HD11 LEU 56 3.693 -3.116 -4.189 468 HD12 LEU 56 HD12 LEU 56 3.256 -4.759 -3.710 469 HD13 LEU 56 HD13 LEU 56 2.008 -3.517 -3.858 470 HD21 LEU 56 HD21 LEU 56 3.880 -4.885 -7.486 471 HD22 LEU 56 HD22 LEU 56 4.420 -5.608 -5.971 472 HD23 LEU 56 HD23 LEU 56 4.795 -3.923 -6.328 473 H VAL 57 H VAL 57 -1.303 -5.941 -7.319 474 HA VAL 57 HA VAL 57 -1.633 -8.753 -6.878 475 HB VAL 57 HB VAL 57 -3.622 -6.672 -7.922 476 HG11 VAL 57 HG11 VAL 57 -4.209 -9.493 -6.923 477 HG12 VAL 57 HG12 VAL 57 -4.379 -8.927 -8.586 478 HG13 VAL 57 HG13 VAL 57 -5.425 -8.276 -7.323 479 HG21 VAL 57 HG21 VAL 57 -3.275 -7.810 -5.114 480 HG22 VAL 57 HG22 VAL 57 -4.509 -6.649 -5.608 481 HG23 VAL 57 HG23 VAL 57 -2.807 -6.189 -5.634 482 H GLN 58 H GLN 58 -1.579 -6.683 -9.746 483 HA GLN 58 HA GLN 58 -2.173 -8.571 -11.764 484 HB2 GLN 58 HB2 GLN 58 -2.134 -6.014 -11.914 485 HB3 GLN 58 HB3 GLN 58 -0.384 -6.102 -11.985 486 HG2 GLN 58 HG2 GLN 58 -2.150 -7.459 -14.032 487 HG3 GLN 58 HG3 GLN 58 -1.687 -5.770 -14.176 488 HE21 GLN 58 HE21 GLN 58 0.540 -5.273 -14.534 489 HE22 GLN 58 HE22 GLN 58 1.613 -6.441 -15.209 490 H ASN 59 H ASN 59 0.925 -7.564 -10.278 491 HA ASN 59 HA ASN 59 2.530 -9.412 -11.870 492 HB2 ASN 59 HB2 ASN 59 3.335 -7.630 -9.527 493 HB3 ASN 59 HB3 ASN 59 4.448 -8.490 -10.591 494 HD21 ASN 59 HD21 ASN 59 4.291 -5.655 -10.092 495 HD22 ASN 59 HD22 ASN 59 3.978 -4.890 -11.602 496 H ASP 60 H ASP 60 0.524 -10.009 -9.371 497 HA ASP 60 HA ASP 60 0.203 -11.579 -7.794 498 HB2 ASP 60 HB2 ASP 60 2.465 -13.042 -9.215 499 HB3 ASP 60 HB3 ASP 60 1.429 -13.767 -7.987 500 H THR 61 H THR 61 2.476 -9.461 -7.414 501 HA THR 61 HA THR 61 4.175 -10.516 -5.368 502 HB THR 61 HB THR 61 3.336 -7.605 -5.786 503 HG1 THR 61 HG1 THR 61 5.380 -7.530 -6.962 504 HG21 THR 61 HG21 THR 61 4.426 -7.957 -3.587 505 HG22 THR 61 HG22 THR 61 5.481 -7.043 -4.667 506 HG23 THR 61 HG23 THR 61 5.789 -8.757 -4.380 507 H LEU 62 H LEU 62 0.968 -8.998 -5.394 508 HA LEU 62 HA LEU 62 0.607 -9.632 -2.515 509 HB2 LEU 62 HB2 LEU 62 -0.917 -7.621 -4.228 510 HB3 LEU 62 HB3 LEU 62 -1.298 -8.009 -2.554 511 HG LEU 62 HG LEU 62 1.201 -6.594 -3.572 512 HD11 LEU 62 HD11 LEU 62 0.375 -4.677 -2.277 513 HD12 LEU 62 HD12 LEU 62 -1.066 -5.589 -1.816 514 HD13 LEU 62 HD13 LEU 62 -0.789 -5.168 -3.509 515 HD21 LEU 62 HD21 LEU 62 1.887 -6.372 -1.205 516 HD22 LEU 62 HD22 LEU 62 1.859 -8.052 -1.733 517 HD23 LEU 62 HD23 LEU 62 0.554 -7.429 -0.722 518 H LEU 63 H LEU 63 -1.250 -10.683 -1.860 519 HA LEU 63 HA LEU 63 -2.893 -12.110 -3.851 520 HB2 LEU 63 HB2 LEU 63 -2.369 -12.589 -0.891 521 HB3 LEU 63 HB3 LEU 63 -3.700 -13.375 -1.727 522 HG LEU 63 HG LEU 63 -0.764 -13.694 -2.439 523 HD11 LEU 63 HD11 LEU 63 -2.610 -15.646 -1.032 524 HD12 LEU 63 HD12 LEU 63 -1.268 -14.764 -0.300 525 HD13 LEU 63 HD13 LEU 63 -0.950 -15.968 -1.546 526 HD21 LEU 63 HD21 LEU 63 -3.201 -15.116 -3.583 527 HD22 LEU 63 HD22 LEU 63 -1.515 -15.480 -3.967 528 HD23 LEU 63 HD23 LEU 63 -2.201 -13.922 -4.419 529 H GLN 64 H GLN 64 -4.874 -11.388 -4.241 530 HA GLN 64 HA GLN 64 -6.100 -9.217 -2.800 531 HB2 GLN 64 HB2 GLN 64 -6.355 -9.456 -5.255 532 HB3 GLN 64 HB3 GLN 64 -7.190 -10.989 -5.031 533 HG2 GLN 64 HG2 GLN 64 -8.997 -9.758 -3.795 534 HG3 GLN 64 HG3 GLN 64 -8.182 -8.245 -4.185 535 HE21 GLN 64 HE21 GLN 64 -7.439 -9.075 -6.908 536 HE22 GLN 64 HE22 GLN 64 -8.901 -9.064 -7.820 537 H VAL 65 H VAL 65 -6.596 -9.848 -0.747 538 HA VAL 65 HA VAL 65 -8.173 -12.254 -0.164 539 HB VAL 65 HB VAL 65 -7.435 -10.139 1.902 540 HG11 VAL 65 HG11 VAL 65 -7.375 -12.040 3.476 541 HG12 VAL 65 HG12 VAL 65 -7.745 -13.154 2.157 542 HG13 VAL 65 HG13 VAL 65 -8.932 -11.943 2.645 543 HG21 VAL 65 HG21 VAL 65 -5.343 -10.557 0.696 544 HG22 VAL 65 HG22 VAL 65 -5.524 -12.297 0.939 545 HG23 VAL 65 HG23 VAL 65 -5.266 -11.235 2.325 546 H LYS 66 H LYS 66 -9.803 -11.262 -1.662 547 HA LYS 66 HA LYS 66 -11.120 -8.831 -1.321 548 HB2 LYS 66 HB2 LYS 66 -12.876 -9.817 -2.826 549 HB3 LYS 66 HB3 LYS 66 -11.228 -10.021 -3.419 550 HG2 LYS 66 HG2 LYS 66 -11.220 -12.356 -2.601 551 HG3 LYS 66 HG3 LYS 66 -12.873 -12.155 -2.009 552 HD2 LYS 66 HD2 LYS 66 -13.677 -11.816 -4.310 553 HD3 LYS 66 HD3 LYS 66 -12.023 -11.926 -4.927 554 HE2 LYS 66 HE2 LYS 66 -11.888 -14.267 -4.121 555 HE3 LYS 66 HE3 LYS 66 -13.541 -14.152 -3.512 556 HZ1 LYS 66 HZ1 LYS 66 -12.725 -13.888 -6.352 557 HZ2 LYS 66 HZ2 LYS 66 -14.308 -13.802 -5.765 558 HZ3 LYS 66 HZ3 LYS 66 -13.441 -15.247 -5.652 559 H GLY 67 H GLY 67 -13.171 -8.245 -0.475 560 HA2 GLY 67 HA2 GLY 67 -14.722 -8.084 1.216 561 HA3 GLY 67 HA3 GLY 67 -14.760 -9.848 1.269 562 H THR 68 H THR 68 -14.268 -10.581 3.232 563 HA THR 68 HA THR 68 -13.209 -11.076 5.170 564 HB THR 68 HB THR 68 -10.675 -9.723 4.152 565 HG1 THR 68 HG1 THR 68 -11.093 -10.871 2.372 566 HG21 THR 68 HG21 THR 68 -11.117 -12.337 5.652 567 HG22 THR 68 HG22 THR 68 -10.571 -10.823 6.376 568 HG23 THR 68 HG23 THR 68 -9.555 -11.651 5.196 569 H GLY 69 H GLY 69 -14.804 -8.965 5.517 570 HA2 GLY 69 HA2 GLY 69 -15.280 -7.344 7.095 571 HA3 GLY 69 HA3 GLY 69 -13.632 -7.460 7.680 572 H ALA 70 H ALA 70 -14.187 -6.827 4.299 573 HA ALA 70 HA ALA 70 -14.112 -3.944 4.381 574 HB1 ALA 70 HB1 ALA 70 -11.581 -5.405 3.516 575 HB2 ALA 70 HB2 ALA 70 -11.755 -4.434 4.979 576 HB3 ALA 70 HB3 ALA 70 -11.853 -3.662 3.394 577 H ASN 71 H ASN 71 -13.369 -3.182 1.944 578 HA ASN 71 HA ASN 71 -14.911 -4.482 -0.094 579 HB2 ASN 71 HB2 ASN 71 -12.635 -2.460 -0.237 580 HB3 ASN 71 HB3 ASN 71 -13.476 -3.040 -1.668 581 HD21 ASN 71 HD21 ASN 71 -15.177 -2.384 1.367 582 HD22 ASN 71 HD22 ASN 71 -15.995 -0.992 0.783 583 H GLY 72 H GLY 72 -11.453 -4.419 0.695 584 HA2 GLY 72 HA2 GLY 72 -10.964 -7.120 -0.104 585 HA3 GLY 72 HA3 GLY 72 -10.340 -5.976 -1.288 586 H SER 73 H SER 73 -9.471 -7.742 1.325 587 HA SER 73 HA SER 73 -7.420 -5.930 2.375 588 HB2 SER 73 HB2 SER 73 -8.040 -8.853 3.018 589 HB3 SER 73 HB3 SER 73 -6.832 -7.868 3.849 590 HG SER 73 HG SER 73 -9.533 -7.946 4.186 591 H PHE 74 H PHE 74 -5.070 -6.700 2.337 592 HA PHE 74 HA PHE 74 -4.324 -8.269 -0.057 593 HB2 PHE 74 HB2 PHE 74 -3.305 -5.423 0.420 594 HB3 PHE 74 HB3 PHE 74 -2.852 -6.478 -0.916 595 HD1 PHE 74 HD1 PHE 74 -4.729 -7.205 -2.561 596 HD2 PHE 74 HD2 PHE 74 -5.149 -3.933 0.179 597 HE1 PHE 74 HE1 PHE 74 -6.591 -6.309 -3.904 598 HE2 PHE 74 HE2 PHE 74 -7.006 -3.042 -1.177 599 HZ PHE 74 HZ PHE 74 -7.728 -4.233 -3.213 600 H LYS 75 H LYS 75 -2.482 -9.452 0.268 601 HA LYS 75 HA LYS 75 -0.593 -8.697 2.410 602 HB2 LYS 75 HB2 LYS 75 -0.472 -11.008 3.280 603 HB3 LYS 75 HB3 LYS 75 -2.061 -10.296 3.514 604 HG2 LYS 75 HG2 LYS 75 -3.055 -11.654 1.841 605 HG3 LYS 75 HG3 LYS 75 -1.491 -12.140 1.178 606 HD2 LYS 75 HD2 LYS 75 -1.007 -13.440 3.209 607 HD3 LYS 75 HD3 LYS 75 -2.518 -12.895 3.947 608 HE2 LYS 75 HE2 LYS 75 -2.337 -14.573 1.417 609 HE3 LYS 75 HE3 LYS 75 -2.646 -15.213 3.033 610 HZ1 LYS 75 HZ1 LYS 75 -4.357 -13.329 1.520 611 HZ2 LYS 75 HZ2 LYS 75 -4.634 -13.787 3.122 612 HZ3 LYS 75 HZ3 LYS 75 -4.704 -14.939 1.887 613 H LEU 76 H LEU 76 1.412 -10.114 2.372 614 HA LEU 76 HA LEU 76 2.574 -9.949 -0.257 615 HB2 LEU 76 HB2 LEU 76 3.792 -11.126 2.281 616 HB3 LEU 76 HB3 LEU 76 4.666 -10.593 0.849 617 HG LEU 76 HG LEU 76 3.150 -8.800 2.802 618 HD11 LEU 76 HD11 LEU 76 5.347 -7.905 3.411 619 HD12 LEU 76 HD12 LEU 76 6.138 -9.054 2.329 620 HD13 LEU 76 HD13 LEU 76 5.246 -9.635 3.739 621 HD21 LEU 76 HD21 LEU 76 4.042 -6.883 1.530 622 HD22 LEU 76 HD22 LEU 76 2.968 -7.872 0.549 623 HD23 LEU 76 HD23 LEU 76 4.716 -7.986 0.324 624 H ASN 77 H ASN 77 2.626 -11.535 -1.780 625 HA ASN 77 HA ASN 77 1.468 -14.129 -1.228 626 HB2 ASN 77 HB2 ASN 77 0.887 -12.844 -3.280 627 HB3 ASN 77 HB3 ASN 77 2.546 -13.005 -3.849 628 HD21 ASN 77 HD21 ASN 77 1.330 -13.921 -5.715 629 HD22 ASN 77 HD22 ASN 77 0.961 -15.600 -5.700 630 H ARG 78 H ARG 78 2.409 -16.112 -1.375 631 HA ARG 78 HA ARG 78 5.254 -16.247 -0.702 632 HB2 ARG 78 HB2 ARG 78 3.084 -18.387 -0.687 633 HB3 ARG 78 HB3 ARG 78 4.709 -18.579 -0.030 634 HG2 ARG 78 HG2 ARG 78 4.252 -16.939 1.707 635 HG3 ARG 78 HG3 ARG 78 2.674 -16.570 1.000 636 HD2 ARG 78 HD2 ARG 78 1.941 -18.895 1.440 637 HD3 ARG 78 HD3 ARG 78 3.511 -19.255 2.167 638 HE ARG 78 HE ARG 78 2.759 -17.233 3.695 639 HH11 ARG 78 HH11 ARG 78 0.774 -19.861 2.616 640 HH12 ARG 78 HH12 ARG 78 -0.145 -19.879 4.079 641 HH21 ARG 78 HH21 ARG 78 1.574 -17.293 5.528 642 HH22 ARG 78 HH22 ARG 78 0.302 -18.454 5.705 643 H LYS 79 H LYS 79 6.795 -16.925 -2.093 644 HA LYS 79 HA LYS 79 7.958 -18.067 -3.688 645 HB2 LYS 79 HB2 LYS 79 6.758 -19.923 -2.276 646 HB3 LYS 79 HB3 LYS 79 5.744 -20.146 -3.696 647 HG2 LYS 79 HG2 LYS 79 7.799 -20.649 -5.032 648 HG3 LYS 79 HG3 LYS 79 8.762 -20.507 -3.555 649 HD2 LYS 79 HD2 LYS 79 6.560 -22.548 -4.098 650 HD3 LYS 79 HD3 LYS 79 8.295 -22.869 -4.061 651 HE2 LYS 79 HE2 LYS 79 6.607 -21.976 -1.689 652 HE3 LYS 79 HE3 LYS 79 7.187 -23.615 -1.984 653 HZ1 LYS 79 HZ1 LYS 79 8.898 -21.237 -1.510 654 HZ2 LYS 79 HZ2 LYS 79 9.445 -22.811 -1.778 655 HZ3 LYS 79 HZ3 LYS 79 8.557 -22.454 -0.388 656 H LYS 80 H LYS 80 5.953 -16.118 -4.646 657 HA LYS 80 HA LYS 80 4.942 -17.006 -7.177 658 HB2 LYS 80 HB2 LYS 80 4.754 -14.402 -7.587 659 HB3 LYS 80 HB3 LYS 80 3.704 -15.200 -6.435 660 HG2 LYS 80 HG2 LYS 80 4.372 -13.164 -5.428 661 HG3 LYS 80 HG3 LYS 80 5.258 -14.437 -4.591 662 HD2 LYS 80 HD2 LYS 80 7.303 -13.865 -5.818 663 HD3 LYS 80 HD3 LYS 80 6.421 -12.682 -6.793 664 HE2 LYS 80 HE2 LYS 80 5.987 -11.319 -4.793 665 HE3 LYS 80 HE3 LYS 80 6.789 -12.518 -3.775 666 HZ1 LYS 80 HZ1 LYS 80 8.848 -12.078 -4.960 667 HZ2 LYS 80 HZ2 LYS 80 8.233 -10.668 -4.259 668 HZ3 LYS 80 HZ3 LYS 80 8.073 -10.925 -5.919 669 H LEU 81 H LEU 81 8.080 -16.682 -6.323 670 HA LEU 81 HA LEU 81 9.426 -15.919 -8.648 671 HB2 LEU 81 HB2 LEU 81 9.993 -18.103 -6.605 672 HB3 LEU 81 HB3 LEU 81 11.133 -17.657 -7.859 673 HG LEU 81 HG LEU 81 10.147 -15.822 -5.641 674 HD11 LEU 81 HD11 LEU 81 12.865 -17.115 -6.028 675 HD12 LEU 81 HD12 LEU 81 11.666 -17.547 -4.804 676 HD13 LEU 81 HD13 LEU 81 12.432 -15.960 -4.762 677 HD21 LEU 81 HD21 LEU 81 12.196 -15.275 -7.824 678 HD22 LEU 81 HD22 LEU 81 11.827 -14.207 -6.467 679 HD23 LEU 81 HD23 LEU 81 10.598 -14.535 -7.683 680 H GLU 82 H GLU 82 7.850 -18.993 -7.787 681 HA GLU 82 HA GLU 82 7.145 -20.810 -8.923 682 HB2 GLU 82 HB2 GLU 82 7.362 -18.987 -11.354 683 HB3 GLU 82 HB3 GLU 82 6.563 -20.558 -11.360 684 HG2 GLU 82 HG2 GLU 82 5.727 -18.177 -9.660 685 HG3 GLU 82 HG3 GLU 82 4.992 -18.629 -11.199 686 H GLY 83 H GLY 83 10.082 -20.342 -8.558 687 HA2 GLY 83 HA2 GLY 83 11.911 -21.737 -8.788 688 HA3 GLY 83 HA3 GLY 83 11.000 -22.723 -9.914
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