NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
566023 | 2lzf | 18753 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -9.977 -8.275 -9.224 2 H2 GLY 1 H2 GLY 1 -9.248 -7.457 -10.439 3 H3 GLY 1 H3 GLY 1 -10.883 -7.560 -10.388 4 HA2 GLY 1 HA2 GLY 1 -10.174 -5.370 -9.686 5 HA3 GLY 1 HA3 GLY 1 -10.984 -6.253 -8.379 6 H SER 2 H SER 2 -9.234 -4.090 -7.939 7 HA SER 2 HA SER 2 -7.242 -5.343 -6.165 8 HB2 SER 2 HB2 SER 2 -6.002 -5.030 -8.275 9 HB3 SER 2 HB3 SER 2 -6.438 -3.310 -8.286 10 HG SER 2 HG SER 2 -4.316 -3.916 -7.359 11 H HIS 3 H HIS 3 -6.474 -3.932 -4.529 12 HA HIS 3 HA HIS 3 -8.318 -1.733 -3.821 13 HB2 HIS 3 HB2 HIS 3 -5.980 -2.819 -2.233 14 HB3 HIS 3 HB3 HIS 3 -7.307 -1.819 -1.641 15 HD1 HIS 3 HD1 HIS 3 -9.489 -3.969 -3.246 16 HD2 HIS 3 HD2 HIS 3 -6.555 -4.623 -0.302 17 HE1 HIS 3 HE1 HIS 3 -10.151 -6.114 -2.043 18 H MET 4 H MET 4 -5.500 -1.884 -5.635 19 HA MET 4 HA MET 4 -3.681 -0.141 -4.580 20 HB2 MET 4 HB2 MET 4 -3.675 -1.572 -6.743 21 HB3 MET 4 HB3 MET 4 -4.264 -0.132 -7.559 22 HG2 MET 4 HG2 MET 4 -1.690 -0.455 -5.959 23 HG3 MET 4 HG3 MET 4 -1.816 -0.439 -7.708 24 HE1 MET 4 HE1 MET 4 -2.341 1.707 -9.177 25 HE2 MET 4 HE2 MET 4 -3.815 2.076 -8.250 26 HE3 MET 4 HE3 MET 4 -2.591 3.332 -8.500 27 H ARG 5 H ARG 5 -3.681 1.890 -3.943 28 HA ARG 5 HA ARG 5 -6.059 3.415 -4.049 29 HB2 ARG 5 HB2 ARG 5 -3.818 3.299 -2.440 30 HB3 ARG 5 HB3 ARG 5 -3.585 4.836 -3.210 31 HG2 ARG 5 HG2 ARG 5 -5.864 5.547 -2.470 32 HG3 ARG 5 HG3 ARG 5 -6.087 4.037 -1.643 33 HD2 ARG 5 HD2 ARG 5 -5.527 5.532 0.003 34 HD3 ARG 5 HD3 ARG 5 -4.192 4.411 -0.182 35 HE ARG 5 HE ARG 5 -3.810 6.841 -1.781 36 HH11 ARG 5 HH11 ARG 5 -3.359 5.589 1.453 37 HH12 ARG 5 HH12 ARG 5 -1.997 6.631 1.753 38 HH21 ARG 5 HH21 ARG 5 -2.197 8.199 -1.329 39 HH22 ARG 5 HH22 ARG 5 -1.303 8.051 0.165 40 H MET 6 H MET 6 -6.552 5.447 -4.815 41 HA MET 6 HA MET 6 -4.794 6.536 -6.932 42 HB2 MET 6 HB2 MET 6 -7.802 6.712 -6.737 43 HB3 MET 6 HB3 MET 6 -6.823 7.281 -8.099 44 HG2 MET 6 HG2 MET 6 -7.081 4.385 -7.214 45 HG3 MET 6 HG3 MET 6 -7.948 5.130 -8.560 46 HE1 MET 6 HE1 MET 6 -5.517 2.664 -10.361 47 HE2 MET 6 HE2 MET 6 -6.329 2.430 -8.798 48 HE3 MET 6 HE3 MET 6 -7.204 3.182 -10.151 49 H SER 7 H SER 7 -5.065 7.247 -4.023 50 HA SER 7 HA SER 7 -5.324 8.918 -2.621 51 HB2 SER 7 HB2 SER 7 -3.513 10.135 -4.686 52 HB3 SER 7 HB3 SER 7 -3.760 10.820 -3.061 53 HG SER 7 HG SER 7 -1.991 9.192 -3.411 54 H LEU 8 H LEU 8 -5.514 11.415 -5.290 55 HA LEU 8 HA LEU 8 -8.307 11.816 -4.475 56 HB2 LEU 8 HB2 LEU 8 -8.025 14.177 -4.313 57 HB3 LEU 8 HB3 LEU 8 -7.399 13.236 -3.018 58 HG LEU 8 HG LEU 8 -6.157 15.294 -4.698 59 HD11 LEU 8 HD11 LEU 8 -6.440 15.401 -2.256 60 HD12 LEU 8 HD12 LEU 8 -4.731 15.542 -2.696 61 HD13 LEU 8 HD13 LEU 8 -5.351 14.004 -2.054 62 HD21 LEU 8 HD21 LEU 8 -3.884 14.563 -4.751 63 HD22 LEU 8 HD22 LEU 8 -4.868 13.464 -5.718 64 HD23 LEU 8 HD23 LEU 8 -4.308 12.976 -4.088 65 H ILE 9 H ILE 9 -9.028 10.961 -6.222 66 HA ILE 9 HA ILE 9 -8.455 11.783 -8.903 67 HB ILE 9 HB ILE 9 -11.067 10.548 -8.003 68 HG12 ILE 9 HG12 ILE 9 -8.456 8.993 -8.083 69 HG13 ILE 9 HG13 ILE 9 -9.418 9.301 -6.674 70 HG21 ILE 9 HG21 ILE 9 -10.662 11.082 -10.424 71 HG22 ILE 9 HG22 ILE 9 -9.283 9.966 -10.405 72 HG23 ILE 9 HG23 ILE 9 -10.935 9.370 -10.143 73 HD11 ILE 9 HD11 ILE 9 -9.974 7.115 -7.270 74 HD12 ILE 9 HD12 ILE 9 -11.350 8.100 -7.779 75 HD13 ILE 9 HD13 ILE 9 -10.172 7.516 -8.985 76 H GLY 10 H GLY 10 -10.624 12.949 -6.412 77 HA2 GLY 10 HA2 GLY 10 -11.855 15.006 -6.427 78 HA3 GLY 10 HA3 GLY 10 -11.756 15.080 -8.170 79 H GLU 11 H GLU 11 -12.741 11.963 -7.699 80 HA GLU 11 HA GLU 11 -15.626 12.579 -7.160 81 HB2 GLU 11 HB2 GLU 11 -16.043 10.514 -8.675 82 HB3 GLU 11 HB3 GLU 11 -15.936 12.148 -9.358 83 HG2 GLU 11 HG2 GLU 11 -13.580 11.670 -10.060 84 HG3 GLU 11 HG3 GLU 11 -13.751 10.026 -9.441 85 H ARG 12 H ARG 12 -13.615 9.696 -7.672 86 HA ARG 12 HA ARG 12 -13.278 7.821 -6.457 87 HB2 ARG 12 HB2 ARG 12 -13.562 9.096 -3.828 88 HB3 ARG 12 HB3 ARG 12 -12.489 7.906 -4.508 89 HG2 ARG 12 HG2 ARG 12 -10.996 9.420 -4.251 90 HG3 ARG 12 HG3 ARG 12 -11.414 9.730 -5.897 91 HD2 ARG 12 HD2 ARG 12 -11.105 11.781 -4.281 92 HD3 ARG 12 HD3 ARG 12 -12.382 11.783 -5.473 93 HE ARG 12 HE ARG 12 -14.018 11.706 -3.883 94 HH11 ARG 12 HH11 ARG 12 -10.981 11.283 -2.244 95 HH12 ARG 12 HH12 ARG 12 -11.692 11.493 -0.662 96 HH21 ARG 12 HH21 ARG 12 -14.833 12.128 -1.844 97 HH22 ARG 12 HH22 ARG 12 -13.875 11.736 -0.456 98 H PHE 13 H PHE 13 -15.935 8.317 -7.266 99 HA PHE 13 HA PHE 13 -18.004 7.642 -5.418 100 HB2 PHE 13 HB2 PHE 13 -17.644 7.066 -8.389 101 HB3 PHE 13 HB3 PHE 13 -19.153 6.971 -7.521 102 HD1 PHE 13 HD2 PHE 13 -18.177 9.791 -5.944 103 HD2 PHE 13 HD1 PHE 13 -18.862 8.495 -10.006 104 HE1 PHE 13 HE2 PHE 13 -18.647 12.124 -6.616 105 HE2 PHE 13 HE1 PHE 13 -19.322 10.841 -10.669 106 HZ PHE 13 HZ PHE 13 -19.217 12.660 -8.974 107 H THR 14 H THR 14 -19.202 5.511 -5.458 108 HA THR 14 HA THR 14 -17.953 3.500 -4.266 109 HB THR 14 HB THR 14 -20.350 3.677 -4.542 110 HG1 THR 14 HG1 THR 14 -19.614 1.756 -3.753 111 HG21 THR 14 HG21 THR 14 -21.570 2.771 -6.392 112 HG22 THR 14 HG22 THR 14 -20.093 2.257 -7.218 113 HG23 THR 14 HG23 THR 14 -20.463 3.991 -7.039 114 H GLU 15 H GLU 15 -18.081 3.352 -7.910 115 HA GLU 15 HA GLU 15 -16.492 0.925 -7.987 116 HB2 GLU 15 HB2 GLU 15 -17.095 2.991 -10.138 117 HB3 GLU 15 HB3 GLU 15 -16.290 1.439 -10.408 118 HG2 GLU 15 HG2 GLU 15 -18.309 0.264 -9.491 119 HG3 GLU 15 HG3 GLU 15 -19.132 1.822 -9.380 120 H GLU 16 H GLU 16 -15.673 4.310 -8.076 121 HA GLU 16 HA GLU 16 -12.758 3.882 -8.448 122 HB2 GLU 16 HB2 GLU 16 -14.303 6.477 -8.093 123 HB3 GLU 16 HB3 GLU 16 -12.628 6.306 -8.586 124 HG2 GLU 16 HG2 GLU 16 -15.089 5.516 -10.188 125 HG3 GLU 16 HG3 GLU 16 -13.991 6.851 -10.502 126 H GLU 17 H GLU 17 -14.811 3.697 -5.900 127 HA GLU 17 HA GLU 17 -13.637 5.208 -3.887 128 HB2 GLU 17 HB2 GLU 17 -15.869 4.077 -3.913 129 HB3 GLU 17 HB3 GLU 17 -15.061 2.551 -3.515 130 HG2 GLU 17 HG2 GLU 17 -14.286 3.568 -1.365 131 HG3 GLU 17 HG3 GLU 17 -15.033 5.092 -1.845 132 H GLN 18 H GLN 18 -12.346 2.347 -5.135 133 HA GLN 18 HA GLN 18 -10.994 1.004 -3.332 134 HB2 GLN 18 HB2 GLN 18 -9.242 0.356 -4.617 135 HB3 GLN 18 HB3 GLN 18 -10.599 0.616 -5.684 136 HG2 GLN 18 HG2 GLN 18 -8.208 2.459 -5.289 137 HG3 GLN 18 HG3 GLN 18 -8.510 1.311 -6.623 138 HE21 GLN 18 HE22 GLN 18 -8.909 4.554 -5.669 139 HE22 GLN 18 HE21 GLN 18 -10.310 4.949 -6.672 140 H LYS 19 H LYS 19 -10.106 4.282 -4.037 141 HA LYS 19 HA LYS 19 -7.836 4.681 -2.389 142 HB2 LYS 19 HB2 LYS 19 -8.582 6.384 -3.899 143 HB3 LYS 19 HB3 LYS 19 -10.179 6.288 -3.311 144 HG2 LYS 19 HG2 LYS 19 -8.780 8.335 -2.826 145 HG3 LYS 19 HG3 LYS 19 -9.960 7.634 -1.695 146 HD2 LYS 19 HD2 LYS 19 -8.609 7.169 -0.113 147 HD3 LYS 19 HD3 LYS 19 -7.272 6.701 -1.123 148 HE2 LYS 19 HE2 LYS 19 -6.882 8.694 0.453 149 HE3 LYS 19 HE3 LYS 19 -6.516 9.025 -1.222 150 HZ1 LYS 19 HZ1 LYS 19 -8.453 10.251 -1.478 151 HZ2 LYS 19 HZ2 LYS 19 -7.821 10.788 -0.091 152 HZ3 LYS 19 HZ3 LYS 19 -9.131 9.788 -0.034 153 H LEU 20 H LEU 20 -11.209 5.158 -1.479 154 HA LEU 20 HA LEU 20 -10.669 5.857 1.282 155 HB2 LEU 20 HB2 LEU 20 -13.257 5.162 -0.203 156 HB3 LEU 20 HB3 LEU 20 -13.180 5.924 1.337 157 HG LEU 20 HG LEU 20 -13.718 7.658 0.092 158 HD11 LEU 20 HD11 LEU 20 -10.675 7.804 0.239 159 HD12 LEU 20 HD12 LEU 20 -11.867 8.312 1.441 160 HD13 LEU 20 HD13 LEU 20 -11.761 9.155 -0.118 161 HD21 LEU 20 HD21 LEU 20 -13.685 6.743 -2.050 162 HD22 LEU 20 HD22 LEU 20 -11.923 6.625 -2.123 163 HD23 LEU 20 HD23 LEU 20 -12.700 8.213 -2.080 164 H LEU 21 H LEU 21 -11.780 3.194 -0.504 165 HA LEU 21 HA LEU 21 -12.403 1.081 1.299 166 HB2 LEU 21 HB2 LEU 21 -12.985 0.962 -0.982 167 HB3 LEU 21 HB3 LEU 21 -11.407 1.475 -1.469 168 HG LEU 21 HG LEU 21 -11.914 -0.704 -2.268 169 HD11 LEU 21 HD11 LEU 21 -9.666 -1.177 -0.311 170 HD12 LEU 21 HD12 LEU 21 -9.499 -0.262 -1.828 171 HD13 LEU 21 HD13 LEU 21 -10.000 -1.944 -1.855 172 HD21 LEU 21 HD21 LEU 21 -13.297 -1.440 -0.315 173 HD22 LEU 21 HD22 LEU 21 -11.777 -1.639 0.620 174 HD23 LEU 21 HD23 LEU 21 -12.086 -2.632 -0.831 175 H LEU 22 H LEU 22 -9.166 2.082 -0.173 176 HA LEU 22 HA LEU 22 -8.014 -0.250 1.185 177 HB2 LEU 22 HB2 LEU 22 -7.014 0.509 -0.899 178 HB3 LEU 22 HB3 LEU 22 -6.688 2.105 -0.222 179 HG LEU 22 HG LEU 22 -5.085 1.107 1.396 180 HD11 LEU 22 HD11 LEU 22 -6.006 -1.180 1.606 181 HD12 LEU 22 HD12 LEU 22 -4.310 -1.211 1.128 182 HD13 LEU 22 HD13 LEU 22 -5.568 -1.511 -0.085 183 HD21 LEU 22 HD21 LEU 22 -3.326 0.526 -0.214 184 HD22 LEU 22 HD22 LEU 22 -4.264 1.932 -0.730 185 HD23 LEU 22 HD23 LEU 22 -4.549 0.351 -1.495 186 H ASN 23 H ASN 23 -8.140 3.198 1.648 187 HA ASN 23 HA ASN 23 -6.560 3.538 3.964 188 HB2 ASN 23 HB2 ASN 23 -8.836 4.974 2.532 189 HB3 ASN 23 HB3 ASN 23 -8.296 5.584 4.008 190 HD21 ASN 23 HD21 ASN 23 -8.106 6.919 1.644 191 HD22 ASN 23 HD22 ASN 23 -6.430 7.039 1.147 192 H ILE 24 H ILE 24 -10.049 2.671 3.774 193 HA ILE 24 HA ILE 24 -10.176 2.514 6.725 194 HB ILE 24 HB ILE 24 -12.367 1.625 6.526 195 HG12 ILE 24 HG12 ILE 24 -11.789 1.352 3.584 196 HG13 ILE 24 HG13 ILE 24 -12.214 0.108 4.717 197 HG21 ILE 24 HG21 ILE 24 -13.483 3.556 5.621 198 HG22 ILE 24 HG22 ILE 24 -11.992 4.058 6.418 199 HG23 ILE 24 HG23 ILE 24 -12.067 3.991 4.651 200 HD11 ILE 24 HD11 ILE 24 -14.064 2.286 3.667 201 HD12 ILE 24 HD12 ILE 24 -14.124 0.551 3.318 202 HD13 ILE 24 HD13 ILE 24 -14.500 1.131 4.954 203 H LEU 25 H LEU 25 -9.437 0.232 4.129 204 HA LEU 25 HA LEU 25 -9.788 -2.112 5.717 205 HB2 LEU 25 HB2 LEU 25 -10.016 -2.046 3.350 206 HB3 LEU 25 HB3 LEU 25 -8.343 -1.571 3.102 207 HG LEU 25 HG LEU 25 -8.923 -4.192 4.501 208 HD11 LEU 25 HD11 LEU 25 -10.388 -4.220 2.534 209 HD12 LEU 25 HD12 LEU 25 -9.016 -5.311 2.289 210 HD13 LEU 25 HD13 LEU 25 -9.039 -3.722 1.491 211 HD21 LEU 25 HD21 LEU 25 -6.537 -3.427 4.230 212 HD22 LEU 25 HD22 LEU 25 -6.785 -3.353 2.477 213 HD23 LEU 25 HD23 LEU 25 -6.874 -4.907 3.330 214 H ILE 26 H ILE 26 -6.984 0.009 5.209 215 HA ILE 26 HA ILE 26 -5.134 -1.733 6.643 216 HB ILE 26 HB ILE 26 -3.495 -0.030 6.393 217 HG12 ILE 26 HG12 ILE 26 -5.437 1.859 5.021 218 HG13 ILE 26 HG13 ILE 26 -5.146 1.948 6.758 219 HG21 ILE 26 HG21 ILE 26 -3.926 -1.535 4.535 220 HG22 ILE 26 HG22 ILE 26 -5.069 -0.385 3.829 221 HG23 ILE 26 HG23 ILE 26 -3.352 0.037 3.966 222 HD11 ILE 26 HD11 ILE 26 -2.706 2.220 6.334 223 HD12 ILE 26 HD12 ILE 26 -3.037 2.243 4.585 224 HD13 ILE 26 HD13 ILE 26 -3.696 3.516 5.626 225 H ASN 27 H ASN 27 -3.684 -0.252 8.258 226 HA ASN 27 HA ASN 27 -4.637 -0.787 10.737 227 HB2 ASN 27 HB2 ASN 27 -2.715 1.501 10.096 228 HB3 ASN 27 HB3 ASN 27 -2.773 0.550 11.574 229 HD21 ASN 27 HD21 ASN 27 -1.468 0.751 8.374 230 HD22 ASN 27 HD22 ASN 27 -0.684 -0.813 8.381 231 H HIS 28 H HIS 28 -4.981 2.420 9.183 232 HA HIS 28 HA HIS 28 -7.277 3.071 10.836 233 HB2 HIS 28 HB2 HIS 28 -6.420 5.193 11.681 234 HB3 HIS 28 HB3 HIS 28 -5.447 3.868 12.298 235 HD1 HIS 28 HD1 HIS 28 -5.209 6.700 9.644 236 HD2 HIS 28 HD2 HIS 28 -2.849 3.921 11.762 237 HE1 HIS 28 HE1 HIS 28 -2.779 7.327 9.192 238 H GLU 29 H GLU 29 -8.381 5.024 10.075 239 HA GLU 29 HA GLU 29 -8.455 5.223 7.213 240 HB2 GLU 29 HB2 GLU 29 -10.021 7.080 7.562 241 HB3 GLU 29 HB3 GLU 29 -10.483 5.597 8.374 242 HG2 GLU 29 HG2 GLU 29 -9.008 7.749 9.927 243 HG3 GLU 29 HG3 GLU 29 -10.709 7.948 9.547 244 H TYR 30 H TYR 30 -7.939 6.883 5.829 245 HA TYR 30 HA TYR 30 -5.713 8.691 6.706 246 HB2 TYR 30 HB2 TYR 30 -4.899 6.468 5.914 247 HB3 TYR 30 HB3 TYR 30 -5.711 6.773 4.375 248 HD1 TYR 30 HD1 TYR 30 -3.127 8.179 6.687 249 HD2 TYR 30 HD2 TYR 30 -4.627 8.003 2.648 250 HE1 TYR 30 HE1 TYR 30 -1.206 9.558 5.911 251 HE2 TYR 30 HE2 TYR 30 -2.666 9.297 1.861 252 HH TYR 30 HH TYR 30 -0.149 10.508 4.112 253 H ALA 31 H ALA 31 -8.265 8.152 4.208 254 HA ALA 31 HA ALA 31 -7.773 10.215 2.483 255 HB1 ALA 31 HB1 ALA 31 -10.428 9.400 3.737 256 HB2 ALA 31 HB2 ALA 31 -10.247 10.317 2.239 257 HB3 ALA 31 HB3 ALA 31 -9.642 8.637 2.321 258 H ILE 32 H ILE 32 -9.227 10.415 5.694 259 HA ILE 32 HA ILE 32 -9.892 13.091 5.865 260 HB ILE 32 HB ILE 32 -9.143 10.912 7.793 261 HG12 ILE 32 HG12 ILE 32 -11.467 11.109 8.572 262 HG13 ILE 32 HG13 ILE 32 -11.739 12.436 7.444 263 HG21 ILE 32 HG21 ILE 32 -9.721 13.775 8.481 264 HG22 ILE 32 HG22 ILE 32 -10.073 12.451 9.636 265 HG23 ILE 32 HG23 ILE 32 -8.414 12.733 9.093 266 HD11 ILE 32 HD11 ILE 32 -11.611 10.908 5.569 267 HD12 ILE 32 HD12 ILE 32 -10.871 9.635 6.588 268 HD13 ILE 32 HD13 ILE 32 -12.563 10.063 6.809 269 H GLU 33 H GLU 33 -6.738 11.601 6.621 270 HA GLU 33 HA GLU 33 -5.390 13.923 7.577 271 HB2 GLU 33 HB2 GLU 33 -4.502 11.578 7.605 272 HB3 GLU 33 HB3 GLU 33 -4.074 11.781 5.892 273 HG2 GLU 33 HG2 GLU 33 -2.672 13.746 6.480 274 HG3 GLU 33 HG3 GLU 33 -3.125 13.577 8.175 275 H LEU 34 H LEU 34 -5.806 12.747 4.211 276 HA LEU 34 HA LEU 34 -4.588 14.991 2.937 277 HB2 LEU 34 HB2 LEU 34 -6.598 12.860 2.116 278 HB3 LEU 34 HB3 LEU 34 -6.308 14.218 1.067 279 HG LEU 34 HG LEU 34 -5.058 12.152 0.549 280 HD11 LEU 34 HD11 LEU 34 -2.999 13.277 -0.085 281 HD12 LEU 34 HD12 LEU 34 -3.162 14.453 1.233 282 HD13 LEU 34 HD13 LEU 34 -4.278 14.503 -0.135 283 HD21 LEU 34 HD21 LEU 34 -3.338 12.738 2.949 284 HD22 LEU 34 HD22 LEU 34 -3.050 11.554 1.668 285 HD23 LEU 34 HD23 LEU 34 -4.457 11.360 2.744 286 H LEU 35 H LEU 35 -8.012 14.441 4.016 287 HA LEU 35 HA LEU 35 -9.122 16.746 2.829 288 HB2 LEU 35 HB2 LEU 35 -10.253 14.823 4.064 289 HB3 LEU 35 HB3 LEU 35 -9.826 15.578 5.581 290 HG LEU 35 HG LEU 35 -11.622 16.873 3.505 291 HD11 LEU 35 HD11 LEU 35 -12.341 15.460 6.122 292 HD12 LEU 35 HD12 LEU 35 -12.540 14.726 4.524 293 HD13 LEU 35 HD13 LEU 35 -13.465 16.160 4.938 294 HD21 LEU 35 HD21 LEU 35 -10.781 18.596 4.932 295 HD22 LEU 35 HD22 LEU 35 -10.968 17.555 6.364 296 HD23 LEU 35 HD23 LEU 35 -12.392 18.200 5.506 297 H SER 36 H SER 36 -7.727 16.572 6.218 298 HA SER 36 HA SER 36 -8.064 19.381 6.632 299 HB2 SER 36 HB2 SER 36 -7.778 17.623 8.385 300 HB3 SER 36 HB3 SER 36 -6.056 17.572 7.963 301 HG SER 36 HG SER 36 -7.568 19.743 9.015 302 H SER 37 H SER 37 -5.321 17.504 5.318 303 HA SER 37 HA SER 37 -3.468 19.649 5.234 304 HB2 SER 37 HB2 SER 37 -3.239 17.039 4.715 305 HB3 SER 37 HB3 SER 37 -3.328 17.612 3.044 306 HG SER 37 HG SER 37 -1.535 18.892 3.426 307 H GLU 38 H GLU 38 -5.864 18.480 3.002 308 HA GLU 38 HA GLU 38 -5.333 20.149 0.698 309 HB2 GLU 38 HB2 GLU 38 -7.630 18.358 1.557 310 HB3 GLU 38 HB3 GLU 38 -7.843 19.373 0.185 311 HG2 GLU 38 HG2 GLU 38 -5.557 17.369 0.450 312 HG3 GLU 38 HG3 GLU 38 -7.083 17.056 -0.369 313 H ILE 39 H ILE 39 -7.890 20.385 3.252 314 HA ILE 39 HA ILE 39 -9.055 22.748 2.143 315 HB ILE 39 HB ILE 39 -10.012 23.140 4.347 316 HG12 ILE 39 HG12 ILE 39 -9.758 20.847 5.826 317 HG13 ILE 39 HG13 ILE 39 -8.119 21.082 5.244 318 HG21 ILE 39 HG21 ILE 39 -11.450 21.105 4.303 319 HG22 ILE 39 HG22 ILE 39 -11.114 21.756 2.691 320 HG23 ILE 39 HG23 ILE 39 -10.254 20.312 3.251 321 HD11 ILE 39 HD11 ILE 39 -8.486 22.158 7.443 322 HD12 ILE 39 HD12 ILE 39 -8.163 23.411 6.234 323 HD13 ILE 39 HD13 ILE 39 -9.824 23.116 6.762 324 H ASN 40 H ASN 40 -6.501 22.295 4.614 325 HA ASN 40 HA ASN 40 -6.160 25.170 4.771 326 HB2 ASN 40 HB2 ASN 40 -4.555 24.937 6.272 327 HB3 ASN 40 HB3 ASN 40 -5.443 23.437 6.511 328 HD21 ASN 40 HD21 ASN 40 -4.351 21.520 6.148 329 HD22 ASN 40 HD22 ASN 40 -2.639 21.466 5.730 330 H ASP 41 H ASP 41 -4.856 22.886 2.422 331 HA ASP 41 HA ASP 41 -2.877 24.718 1.387 332 HB2 ASP 41 HB2 ASP 41 -3.224 22.139 0.971 333 HB3 ASP 41 HB3 ASP 41 -4.276 22.672 -0.333 334 H ILE 42 H ILE 42 -6.379 24.437 0.954 335 HA ILE 42 HA ILE 42 -6.413 26.617 -1.079 336 HB ILE 42 HB ILE 42 -8.689 25.343 0.479 337 HG12 ILE 42 HG12 ILE 42 -9.416 24.681 -1.864 338 HG13 ILE 42 HG13 ILE 42 -7.852 25.231 -2.467 339 HG21 ILE 42 HG21 ILE 42 -8.781 27.543 -1.634 340 HG22 ILE 42 HG22 ILE 42 -10.190 26.647 -1.026 341 HG23 ILE 42 HG23 ILE 42 -9.290 27.685 0.066 342 HD11 ILE 42 HD11 ILE 42 -6.716 23.478 -1.197 343 HD12 ILE 42 HD12 ILE 42 -8.234 23.117 -0.328 344 HD13 ILE 42 HD13 ILE 42 -8.090 22.730 -2.040 345 H GLU 43 H GLU 43 -7.216 26.354 2.413 346 HA GLU 43 HA GLU 43 -8.121 28.999 2.732 347 HB2 GLU 43 HB2 GLU 43 -8.361 26.909 4.235 348 HB3 GLU 43 HB3 GLU 43 -6.802 27.317 4.906 349 HG2 GLU 43 HG2 GLU 43 -8.572 28.131 6.350 350 HG3 GLU 43 HG3 GLU 43 -7.658 29.486 5.697 351 H THR 44 H THR 44 -4.922 27.670 3.407 352 HA THR 44 HA THR 44 -3.782 30.441 3.611 353 HB THR 44 HB THR 44 -3.915 29.467 5.814 354 HG1 THR 44 HG1 THR 44 -1.772 29.780 6.350 355 HG21 THR 44 HG21 THR 44 -3.781 27.098 5.445 356 HG22 THR 44 HG22 THR 44 -2.405 27.572 6.441 357 HG23 THR 44 HG23 THR 44 -2.167 27.232 4.712 358 H GLY 45 H GLY 45 -3.174 27.082 2.411 359 HA2 GLY 45 HA2 GLY 45 -0.673 27.738 1.168 360 HA3 GLY 45 HA3 GLY 45 -1.780 26.464 0.659 361 H THR 46 H THR 46 -3.933 28.531 0.226 362 HA THR 46 HA THR 46 -4.883 29.714 -1.380 363 HB THR 46 HB THR 46 -3.817 31.668 -2.390 364 HG1 THR 46 HG1 THR 46 -1.654 30.882 -2.429 365 HG21 THR 46 HG21 THR 46 -4.913 31.787 -0.183 366 HG22 THR 46 HG22 THR 46 -3.560 32.923 -0.323 367 HG23 THR 46 HG23 THR 46 -3.363 31.424 0.608 368 H LYS 47 H LYS 47 -4.213 27.241 -2.113 369 HA LYS 47 HA LYS 47 -3.365 27.005 -4.855 370 HB2 LYS 47 HB2 LYS 47 -5.427 25.472 -3.208 371 HB3 LYS 47 HB3 LYS 47 -5.003 25.042 -4.851 372 HG2 LYS 47 HG2 LYS 47 -3.129 25.026 -2.462 373 HG3 LYS 47 HG3 LYS 47 -3.854 23.626 -3.230 374 HD2 LYS 47 HD2 LYS 47 -1.781 25.489 -4.467 375 HD3 LYS 47 HD3 LYS 47 -1.500 23.876 -3.820 376 HE2 LYS 47 HE2 LYS 47 -3.048 22.912 -5.520 377 HE3 LYS 47 HE3 LYS 47 -3.273 24.521 -6.218 378 HZ1 LYS 47 HZ1 LYS 47 -0.677 23.081 -6.052 379 HZ2 LYS 47 HZ2 LYS 47 -0.874 24.570 -6.694 380 HZ3 LYS 47 HZ3 LYS 47 -1.561 23.273 -7.409 381 H ASN 48 H ASN 48 -4.458 27.158 -6.764 382 HA ASN 48 HA ASN 48 -7.208 28.082 -6.949 383 HB2 ASN 48 HB2 ASN 48 -5.981 30.206 -6.487 384 HB3 ASN 48 HB3 ASN 48 -4.901 29.884 -7.846 385 HD21 ASN 48 HD21 ASN 48 -8.421 30.240 -7.080 386 HD22 ASN 48 HD22 ASN 48 -8.800 30.985 -8.625 387 H VAL 49 H VAL 49 -8.030 27.010 -8.616 388 HA VAL 49 HA VAL 49 -6.805 26.687 -11.202 389 HB VAL 49 HB VAL 49 -5.486 24.958 -10.274 390 HG11 VAL 49 HG11 VAL 49 -6.385 23.053 -8.970 391 HG12 VAL 49 HG12 VAL 49 -6.540 24.593 -8.133 392 HG13 VAL 49 HG13 VAL 49 -7.969 23.885 -8.939 393 HG21 VAL 49 HG21 VAL 49 -6.204 22.889 -11.309 394 HG22 VAL 49 HG22 VAL 49 -7.874 23.460 -11.399 395 HG23 VAL 49 HG23 VAL 49 -6.612 24.250 -12.381 396 H ASP 50 H ASP 50 -8.252 25.307 -12.567 397 HA ASP 50 HA ASP 50 -10.808 26.571 -12.471 398 HB2 ASP 50 HB2 ASP 50 -9.311 26.359 -14.469 399 HB3 ASP 50 HB3 ASP 50 -9.680 24.626 -14.446 400 H GLY 51 H GLY 51 -11.152 25.239 -10.504 401 HA2 GLY 51 HA2 GLY 51 -12.954 24.110 -9.455 402 HA3 GLY 51 HA3 GLY 51 -13.339 23.231 -10.920 403 H THR 52 H THR 52 -10.148 22.616 -10.869 404 HA THR 52 HA THR 52 -10.448 19.962 -10.037 405 HB THR 52 HB THR 52 -7.916 21.639 -10.114 406 HG1 THR 52 HG1 THR 52 -7.805 20.795 -12.239 407 HG21 THR 52 HG21 THR 52 -7.588 19.439 -9.022 408 HG22 THR 52 HG22 THR 52 -6.750 19.581 -10.579 409 HG23 THR 52 HG23 THR 52 -8.281 18.658 -10.473 410 H THR 53 H THR 53 -8.630 22.501 -8.166 411 HA THR 53 HA THR 53 -8.505 20.973 -5.809 412 HB THR 53 HB THR 53 -7.080 22.904 -6.496 413 HG1 THR 53 HG1 THR 53 -6.731 23.540 -4.411 414 HG21 THR 53 HG21 THR 53 -8.922 24.583 -7.028 415 HG22 THR 53 HG22 THR 53 -7.650 25.180 -5.959 416 HG23 THR 53 HG23 THR 53 -9.216 24.708 -5.278 417 H TYR 54 H TYR 54 -10.987 23.277 -6.844 418 HA TYR 54 HA TYR 54 -12.614 23.430 -4.508 419 HB2 TYR 54 HB2 TYR 54 -13.319 23.293 -7.478 420 HB3 TYR 54 HB3 TYR 54 -14.508 23.534 -6.237 421 HD1 TYR 54 HD2 TYR 54 -11.566 25.120 -7.886 422 HD2 TYR 54 HD1 TYR 54 -14.750 25.587 -5.009 423 HE1 TYR 54 HE2 TYR 54 -11.162 27.573 -7.851 424 HE2 TYR 54 HE1 TYR 54 -14.332 28.052 -4.961 425 HH TYR 54 HH TYR 54 -11.796 29.596 -6.974 426 H LYS 55 H LYS 55 -12.881 21.168 -7.302 427 HA LYS 55 HA LYS 55 -14.747 19.511 -6.235 428 HB2 LYS 55 HB2 LYS 55 -14.158 19.800 -8.590 429 HB3 LYS 55 HB3 LYS 55 -12.637 19.023 -8.356 430 HG2 LYS 55 HG2 LYS 55 -14.103 17.154 -9.007 431 HG3 LYS 55 HG3 LYS 55 -14.281 17.097 -7.274 432 HD2 LYS 55 HD2 LYS 55 -16.110 19.006 -7.675 433 HD3 LYS 55 HD3 LYS 55 -16.155 18.331 -9.296 434 HE2 LYS 55 HE2 LYS 55 -16.543 16.037 -8.343 435 HE3 LYS 55 HE3 LYS 55 -16.589 16.740 -6.724 436 HZ1 LYS 55 HZ1 LYS 55 -18.830 16.475 -7.633 437 HZ2 LYS 55 HZ2 LYS 55 -18.478 17.400 -8.929 438 HZ3 LYS 55 HZ3 LYS 55 -18.525 18.067 -7.438 439 H LYS 56 H LYS 56 -11.188 19.068 -6.015 440 HA LYS 56 HA LYS 56 -11.272 16.683 -4.450 441 HB2 LYS 56 HB2 LYS 56 -9.233 18.894 -4.638 442 HB3 LYS 56 HB3 LYS 56 -9.090 17.646 -3.397 443 HG2 LYS 56 HG2 LYS 56 -7.803 16.845 -5.148 444 HG3 LYS 56 HG3 LYS 56 -9.290 15.893 -5.204 445 HD2 LYS 56 HD2 LYS 56 -10.076 17.340 -7.109 446 HD3 LYS 56 HD3 LYS 56 -8.504 18.171 -7.093 447 HE2 LYS 56 HE2 LYS 56 -7.336 16.027 -7.419 448 HE3 LYS 56 HE3 LYS 56 -8.856 15.147 -7.293 449 HZ1 LYS 56 HZ1 LYS 56 -8.250 15.361 -9.589 450 HZ2 LYS 56 HZ2 LYS 56 -8.114 16.981 -9.501 451 HZ3 LYS 56 HZ3 LYS 56 -9.586 16.259 -9.362 452 H LEU 57 H LEU 57 -11.544 20.031 -3.244 453 HA LEU 57 HA LEU 57 -11.641 19.274 -0.458 454 HB2 LEU 57 HB2 LEU 57 -10.820 21.311 -1.182 455 HB3 LEU 57 HB3 LEU 57 -12.285 21.795 -2.032 456 HG LEU 57 HG LEU 57 -12.307 21.348 0.964 457 HD11 LEU 57 HD11 LEU 57 -10.490 22.967 0.426 458 HD12 LEU 57 HD12 LEU 57 -11.838 23.761 1.253 459 HD13 LEU 57 HD13 LEU 57 -11.640 23.944 -0.504 460 HD21 LEU 57 HD21 LEU 57 -14.541 21.664 0.006 461 HD22 LEU 57 HD22 LEU 57 -13.970 23.080 -0.904 462 HD23 LEU 57 HD23 LEU 57 -14.087 23.127 0.866 463 H VAL 58 H VAL 58 -14.182 20.060 -2.843 464 HA VAL 58 HA VAL 58 -16.275 19.650 -0.899 465 HB VAL 58 HB VAL 58 -16.271 21.263 -2.828 466 HG11 VAL 58 HG11 VAL 58 -15.687 19.472 -4.522 467 HG12 VAL 58 HG12 VAL 58 -17.388 19.001 -4.510 468 HG13 VAL 58 HG13 VAL 58 -16.907 20.656 -4.994 469 HG21 VAL 58 HG21 VAL 58 -18.727 19.530 -2.471 470 HG22 VAL 58 HG22 VAL 58 -18.239 20.945 -1.490 471 HG23 VAL 58 HG23 VAL 58 -18.686 21.156 -3.188 472 H THR 59 H THR 59 -14.652 17.502 -3.151 473 HA THR 59 HA THR 59 -16.675 15.400 -3.033 474 HB THR 59 HB THR 59 -14.988 15.617 -4.863 475 HG1 THR 59 HG1 THR 59 -15.070 13.515 -5.201 476 HG21 THR 59 HG21 THR 59 -13.138 14.285 -2.839 477 HG22 THR 59 HG22 THR 59 -12.953 15.823 -3.653 478 HG23 THR 59 HG23 THR 59 -12.880 14.337 -4.591 479 H LEU 60 H LEU 60 -13.693 16.154 -1.234 480 HA LEU 60 HA LEU 60 -13.517 13.871 0.399 481 HB2 LEU 60 HB2 LEU 60 -12.741 16.693 0.803 482 HB3 LEU 60 HB3 LEU 60 -13.037 15.779 2.268 483 HG LEU 60 HG LEU 60 -10.732 15.719 1.760 484 HD11 LEU 60 HD11 LEU 60 -11.668 12.900 1.187 485 HD12 LEU 60 HD12 LEU 60 -11.679 13.627 2.801 486 HD13 LEU 60 HD13 LEU 60 -10.155 13.455 1.946 487 HD21 LEU 60 HD21 LEU 60 -10.563 16.062 -0.479 488 HD22 LEU 60 HD22 LEU 60 -11.528 14.628 -0.907 489 HD23 LEU 60 HD23 LEU 60 -9.869 14.460 -0.236 490 H TYR 61 H TYR 61 -15.493 16.762 1.199 491 HA TYR 61 HA TYR 61 -16.845 15.384 3.368 492 HB2 TYR 61 HB2 TYR 61 -17.907 17.223 3.892 493 HB3 TYR 61 HB3 TYR 61 -16.819 18.021 2.747 494 HD1 TYR 61 HD2 TYR 61 -20.243 16.735 3.389 495 HD2 TYR 61 HD1 TYR 61 -17.787 18.972 0.657 496 HE1 TYR 61 HE2 TYR 61 -22.280 17.572 2.275 497 HE2 TYR 61 HE1 TYR 61 -19.856 19.811 -0.465 498 HH TYR 61 HH TYR 61 -22.140 19.744 -0.568 499 H ASP 62 H ASP 62 -17.655 15.791 0.006 500 HA ASP 62 HA ASP 62 -20.289 14.735 0.055 501 HB2 ASP 62 HB2 ASP 62 -19.310 15.944 -1.881 502 HB3 ASP 62 HB3 ASP 62 -18.374 14.489 -2.262 503 H ARG 63 H ARG 63 -17.266 12.963 0.360 504 HA ARG 63 HA ARG 63 -19.002 10.510 0.661 505 HB2 ARG 63 HB2 ARG 63 -16.427 10.861 -0.665 506 HB3 ARG 63 HB3 ARG 63 -16.353 9.554 0.491 507 HG2 ARG 63 HG2 ARG 63 -17.846 8.215 -0.568 508 HG3 ARG 63 HG3 ARG 63 -18.832 9.520 -1.176 509 HD2 ARG 63 HD2 ARG 63 -16.127 8.695 -2.201 510 HD3 ARG 63 HD3 ARG 63 -17.660 8.259 -2.973 511 HE ARG 63 HE ARG 63 -16.233 10.481 -3.699 512 HH11 ARG 63 HH21 ARG 63 -19.625 10.091 -2.781 513 HH12 ARG 63 HH22 ARG 63 -19.957 11.729 -3.338 514 HH21 ARG 63 HH11 ARG 63 -16.862 12.598 -4.178 515 HH22 ARG 63 HH12 ARG 63 -18.593 12.946 -4.083 516 H PHE 64 H PHE 64 -16.529 12.349 2.368 517 HA PHE 64 HA PHE 64 -16.352 10.559 4.595 518 HB2 PHE 64 HB2 PHE 64 -14.684 12.233 4.274 519 HB3 PHE 64 HB3 PHE 64 -15.895 13.514 4.243 520 HD1 PHE 64 HD2 PHE 64 -14.562 10.838 6.542 521 HD2 PHE 64 HD1 PHE 64 -16.326 14.730 6.203 522 HE1 PHE 64 HE2 PHE 64 -14.262 11.185 8.993 523 HE2 PHE 64 HE1 PHE 64 -16.141 15.055 8.658 524 HZ PHE 64 HZ PHE 64 -15.114 13.261 10.060 525 H ARG 65 H ARG 65 -18.483 13.488 4.239 526 HA ARG 65 HA ARG 65 -19.632 13.255 6.881 527 HB2 ARG 65 HB2 ARG 65 -20.237 14.771 4.297 528 HB3 ARG 65 HB3 ARG 65 -21.196 15.000 5.668 529 HG2 ARG 65 HG2 ARG 65 -18.243 15.552 5.591 530 HG3 ARG 65 HG3 ARG 65 -19.506 16.780 5.464 531 HD2 ARG 65 HD2 ARG 65 -19.176 14.972 7.840 532 HD3 ARG 65 HD3 ARG 65 -18.474 16.583 7.754 533 HE ARG 65 HE ARG 65 -20.776 17.501 7.531 534 HH11 ARG 65 HH11 ARG 65 -20.461 14.443 9.248 535 HH12 ARG 65 HH12 ARG 65 -22.116 14.529 9.803 536 HH21 ARG 65 HH21 ARG 65 -22.704 17.646 8.494 537 HH22 ARG 65 HH22 ARG 65 -23.320 16.332 9.456 538 H PHE 66 H PHE 66 -20.515 12.282 3.787 539 HA PHE 66 HA PHE 66 -23.143 11.153 4.573 540 HB2 PHE 66 HB2 PHE 66 -21.823 11.467 1.866 541 HB3 PHE 66 HB3 PHE 66 -23.418 10.796 2.109 542 HD1 PHE 66 HD2 PHE 66 -24.712 12.597 4.073 543 HD2 PHE 66 HD1 PHE 66 -22.085 13.519 0.779 544 HE1 PHE 66 HE2 PHE 66 -25.676 14.872 3.935 545 HE2 PHE 66 HE1 PHE 66 -23.067 15.786 0.631 546 HZ PHE 66 HZ PHE 66 -24.860 16.475 2.216 547 H GLU 67 H GLU 67 -20.408 9.712 2.727 548 HA GLU 67 HA GLU 67 -21.859 7.149 2.729 549 HB2 GLU 67 HB2 GLU 67 -19.446 8.182 1.175 550 HB3 GLU 67 HB3 GLU 67 -20.110 6.582 1.004 551 HG2 GLU 67 HG2 GLU 67 -21.596 9.193 0.450 552 HG3 GLU 67 HG3 GLU 67 -20.878 8.146 -0.764 553 H ASN 68 H ASN 68 -18.710 8.251 3.696 554 HA ASN 68 HA ASN 68 -18.025 5.615 4.904 555 HB2 ASN 68 HB2 ASN 68 -16.157 7.452 3.360 556 HB3 ASN 68 HB3 ASN 68 -15.649 6.025 4.248 557 HD21 ASN 68 HD21 ASN 68 -16.647 7.126 1.200 558 HD22 ASN 68 HD22 ASN 68 -16.934 5.533 0.488 559 H1 GLY 1 H1 GLY 1 -9.660 17.651 36.635 560 H2 GLY 1 H2 GLY 1 -8.292 18.545 36.531 561 H3 GLY 1 H3 GLY 1 -8.576 17.355 35.441 562 HA2 GLY 1 HA2 GLY 1 -10.169 19.823 35.727 563 HA3 GLY 1 HA3 GLY 1 -8.980 19.514 34.449 564 H SER 2 H SER 2 -12.216 19.560 35.025 565 HA SER 2 HA SER 2 -13.217 17.142 33.941 566 HB2 SER 2 HB2 SER 2 -14.496 19.901 33.883 567 HB3 SER 2 HB3 SER 2 -15.335 18.349 33.720 568 HG SER 2 HG SER 2 -14.739 17.839 35.848 569 H HIS 3 H HIS 3 -13.925 16.509 31.941 570 HA HIS 3 HA HIS 3 -12.480 17.671 29.689 571 HB2 HIS 3 HB2 HIS 3 -14.200 15.186 29.746 572 HB3 HIS 3 HB3 HIS 3 -12.949 15.599 28.573 573 HD1 HIS 3 HD1 HIS 3 -10.813 16.377 31.144 574 HD2 HIS 3 HD2 HIS 3 -13.077 12.897 30.461 575 HE1 HIS 3 HE1 HIS 3 -9.658 14.519 32.427 576 H MET 4 H MET 4 -14.647 19.357 30.515 577 HA MET 4 HA MET 4 -17.012 18.927 28.933 578 HB2 MET 4 HB2 MET 4 -17.008 20.225 31.020 579 HB3 MET 4 HB3 MET 4 -15.947 21.441 30.293 580 HG2 MET 4 HG2 MET 4 -17.701 21.976 28.627 581 HG3 MET 4 HG3 MET 4 -18.751 20.739 29.330 582 HE1 MET 4 HE1 MET 4 -19.560 23.789 28.767 583 HE2 MET 4 HE2 MET 4 -20.673 22.569 29.431 584 HE3 MET 4 HE3 MET 4 -20.497 24.144 30.235 585 H ARG 5 H ARG 5 -16.973 18.914 26.775 586 HA ARG 5 HA ARG 5 -14.929 20.050 25.179 587 HB2 ARG 5 HB2 ARG 5 -16.919 18.213 24.793 588 HB3 ARG 5 HB3 ARG 5 -17.585 19.558 23.908 589 HG2 ARG 5 HG2 ARG 5 -15.388 19.707 22.642 590 HG3 ARG 5 HG3 ARG 5 -14.878 18.249 23.433 591 HD2 ARG 5 HD2 ARG 5 -15.583 17.555 21.361 592 HD3 ARG 5 HD3 ARG 5 -16.733 16.966 22.538 593 HE ARG 5 HE ARG 5 -17.390 19.544 21.164 594 HH11 ARG 5 HH11 ARG 5 -18.139 16.130 21.338 595 HH12 ARG 5 HH12 ARG 5 -19.717 16.364 20.642 596 HH21 ARG 5 HH21 ARG 5 -19.325 19.776 20.239 597 HH22 ARG 5 HH22 ARG 5 -20.382 18.401 20.046 598 H MET 6 H MET 6 -14.843 21.776 23.769 599 HA MET 6 HA MET 6 -16.953 23.821 24.045 600 HB2 MET 6 HB2 MET 6 -13.984 24.236 23.621 601 HB3 MET 6 HB3 MET 6 -15.164 25.530 23.858 602 HG2 MET 6 HG2 MET 6 -14.445 23.416 25.921 603 HG3 MET 6 HG3 MET 6 -13.855 25.076 25.897 604 HE1 MET 6 HE1 MET 6 -15.173 23.702 28.447 605 HE2 MET 6 HE2 MET 6 -14.570 25.374 28.433 606 HE3 MET 6 HE3 MET 6 -16.203 25.020 29.042 607 H SER 7 H SER 7 -16.526 21.791 21.922 608 HA SER 7 HA SER 7 -16.375 21.446 19.781 609 HB2 SER 7 HB2 SER 7 -18.384 23.694 19.823 610 HB3 SER 7 HB3 SER 7 -18.121 22.640 18.414 611 HG SER 7 HG SER 7 -19.779 21.992 20.028 612 H LEU 8 H LEU 8 -16.510 25.039 18.929 613 HA LEU 8 HA LEU 8 -13.652 24.754 18.344 614 HB2 LEU 8 HB2 LEU 8 -13.997 26.040 16.221 615 HB3 LEU 8 HB3 LEU 8 -14.028 24.323 16.235 616 HG LEU 8 HG LEU 8 -15.643 25.839 14.784 617 HD11 LEU 8 HD11 LEU 8 -15.415 23.522 14.510 618 HD12 LEU 8 HD12 LEU 8 -17.130 23.926 14.520 619 HD13 LEU 8 HD13 LEU 8 -16.404 23.164 15.961 620 HD21 LEU 8 HD21 LEU 8 -16.867 26.884 16.675 621 HD22 LEU 8 HD22 LEU 8 -17.541 25.280 17.072 622 HD23 LEU 8 HD23 LEU 8 -17.881 26.031 15.510 623 H ILE 9 H ILE 9 -12.829 26.020 19.736 624 HA ILE 9 HA ILE 9 -13.858 28.593 20.461 625 HB ILE 9 HB ILE 9 -11.036 27.623 20.974 626 HG12 ILE 9 HG12 ILE 9 -13.499 26.516 22.364 627 HG13 ILE 9 HG13 ILE 9 -12.371 25.619 21.404 628 HG21 ILE 9 HG21 ILE 9 -13.025 29.099 22.756 629 HG22 ILE 9 HG22 ILE 9 -11.295 28.841 23.075 630 HG23 ILE 9 HG23 ILE 9 -11.789 29.896 21.761 631 HD11 ILE 9 HD11 ILE 9 -11.799 26.842 24.105 632 HD12 ILE 9 HD12 ILE 9 -11.817 25.138 23.620 633 HD13 ILE 9 HD13 ILE 9 -10.550 26.203 22.999 634 H GLY 10 H GLY 10 -11.332 27.479 18.292 635 HA2 GLY 10 HA2 GLY 10 -10.675 28.864 16.348 636 HA3 GLY 10 HA3 GLY 10 -10.776 30.289 17.348 637 H GLU 11 H GLU 11 -9.247 28.115 19.337 638 HA GLU 11 HA GLU 11 -6.577 28.131 18.036 639 HB2 GLU 11 HB2 GLU 11 -6.948 29.133 20.885 640 HB3 GLU 11 HB3 GLU 11 -5.422 28.834 20.063 641 HG2 GLU 11 HG2 GLU 11 -5.984 30.594 18.380 642 HG3 GLU 11 HG3 GLU 11 -7.456 30.963 19.287 643 H ARG 12 H ARG 12 -8.246 27.303 21.079 644 HA ARG 12 HA ARG 12 -8.474 25.410 22.290 645 HB2 ARG 12 HB2 ARG 12 -7.970 23.721 19.848 646 HB3 ARG 12 HB3 ARG 12 -8.774 23.400 21.321 647 HG2 ARG 12 HG2 ARG 12 -10.699 23.792 20.205 648 HG3 ARG 12 HG3 ARG 12 -10.351 25.469 20.543 649 HD2 ARG 12 HD2 ARG 12 -10.887 25.248 18.190 650 HD3 ARG 12 HD3 ARG 12 -9.172 25.618 18.300 651 HE ARG 12 HE ARG 12 -10.400 22.941 17.721 652 HH11 ARG 12 HH21 ARG 12 -7.572 25.016 17.389 653 HH12 ARG 12 HH22 ARG 12 -6.936 24.026 16.130 654 HH21 ARG 12 HH11 ARG 12 -9.298 21.584 16.307 655 HH22 ARG 12 HH12 ARG 12 -7.751 22.082 15.696 656 H PHE 13 H PHE 13 -6.119 26.508 22.639 657 HA PHE 13 HA PHE 13 -4.003 24.636 21.984 658 HB2 PHE 13 HB2 PHE 13 -4.185 27.206 21.579 659 HB3 PHE 13 HB3 PHE 13 -3.729 27.345 23.277 660 HD1 PHE 13 HD1 PHE 13 -2.858 25.278 20.307 661 HD2 PHE 13 HD2 PHE 13 -1.373 27.697 23.540 662 HE1 PHE 13 HE1 PHE 13 -0.475 24.885 19.537 663 HE2 PHE 13 HE2 PHE 13 0.976 27.309 22.785 664 HZ PHE 13 HZ PHE 13 1.412 25.899 20.781 665 H THR 14 H THR 14 -4.060 23.000 23.415 666 HA THR 14 HA THR 14 -3.308 21.723 25.022 667 HB THR 14 HB THR 14 -1.169 22.382 24.669 668 HG1 THR 14 HG1 THR 14 -0.267 22.201 26.703 669 HG21 THR 14 HG21 THR 14 -1.321 24.788 24.598 670 HG22 THR 14 HG22 THR 14 -0.036 24.302 25.712 671 HG23 THR 14 HG23 THR 14 -1.593 24.872 26.357 672 H GLU 15 H GLU 15 -3.511 24.803 26.861 673 HA GLU 15 HA GLU 15 -5.013 23.568 29.057 674 HB2 GLU 15 HB2 GLU 15 -4.469 26.459 28.265 675 HB3 GLU 15 HB3 GLU 15 -5.336 25.983 29.722 676 HG2 GLU 15 HG2 GLU 15 -2.446 25.220 29.099 677 HG3 GLU 15 HG3 GLU 15 -2.946 26.565 30.112 678 H GLU 16 H GLU 16 -5.788 25.015 25.951 679 HA GLU 16 HA GLU 16 -8.722 24.968 26.551 680 HB2 GLU 16 HB2 GLU 16 -7.090 26.363 24.429 681 HB3 GLU 16 HB3 GLU 16 -8.841 26.261 24.372 682 HG2 GLU 16 HG2 GLU 16 -8.990 27.411 26.551 683 HG3 GLU 16 HG3 GLU 16 -7.225 27.546 26.606 684 H GLU 17 H GLU 17 -6.487 22.878 25.452 685 HA GLU 17 HA GLU 17 -7.649 21.821 23.067 686 HB2 GLU 17 HB2 GLU 17 -5.316 21.508 23.983 687 HB3 GLU 17 HB3 GLU 17 -5.975 20.313 25.105 688 HG2 GLU 17 HG2 GLU 17 -6.714 18.957 23.115 689 HG3 GLU 17 HG3 GLU 17 -6.001 20.183 22.059 690 H GLN 18 H GLN 18 -8.746 21.449 26.228 691 HA GLN 18 HA GLN 18 -9.751 19.055 26.651 692 HB2 GLN 18 HB2 GLN 18 -11.543 19.652 27.929 693 HB3 GLN 18 HB3 GLN 18 -10.301 20.859 28.151 694 HG2 GLN 18 HG2 GLN 18 -12.827 21.108 26.462 695 HG3 GLN 18 HG3 GLN 18 -12.514 21.770 28.095 696 HE21 GLN 18 HE22 GLN 18 -12.418 22.540 24.795 697 HE22 GLN 18 HE21 GLN 18 -11.135 23.758 24.842 698 H LYS 19 H LYS 19 -11.166 21.091 24.215 699 HA LYS 19 HA LYS 19 -13.310 19.508 23.262 700 HB2 LYS 19 HB2 LYS 19 -12.998 21.708 22.400 701 HB3 LYS 19 HB3 LYS 19 -11.344 21.417 22.086 702 HG2 LYS 19 HG2 LYS 19 -12.910 21.738 20.161 703 HG3 LYS 19 HG3 LYS 19 -11.566 20.577 20.143 704 HD2 LYS 19 HD2 LYS 19 -12.714 18.795 19.877 705 HD3 LYS 19 HD3 LYS 19 -14.056 19.302 20.855 706 HE2 LYS 19 HE2 LYS 19 -14.561 18.815 18.382 707 HE3 LYS 19 HE3 LYS 19 -15.081 20.391 18.922 708 HZ1 LYS 19 HZ1 LYS 19 -13.311 21.423 17.845 709 HZ2 LYS 19 HZ2 LYS 19 -13.908 20.399 16.750 710 HZ3 LYS 19 HZ3 LYS 19 -12.491 20.023 17.503 711 H LEU 20 H LEU 20 -9.990 19.422 22.101 712 HA LEU 20 HA LEU 20 -10.390 17.247 20.223 713 HB2 LEU 20 HB2 LEU 20 -7.856 18.594 21.280 714 HB3 LEU 20 HB3 LEU 20 -7.936 17.610 19.874 715 HG LEU 20 HG LEU 20 -7.770 19.591 18.937 716 HD11 LEU 20 HD11 LEU 20 -10.752 19.002 18.990 717 HD12 LEU 20 HD12 LEU 20 -9.541 18.509 17.816 718 HD13 LEU 20 HD13 LEU 20 -9.991 20.225 17.962 719 HD21 LEU 20 HD21 LEU 20 -7.874 20.910 20.906 720 HD22 LEU 20 HD22 LEU 20 -9.620 20.792 21.023 721 HD23 LEU 20 HD23 LEU 20 -8.892 21.622 19.641 722 H LEU 21 H LEU 21 -9.101 17.724 23.339 723 HA LEU 21 HA LEU 21 -8.030 15.232 24.232 724 HB2 LEU 21 HB2 LEU 21 -7.612 17.206 25.430 725 HB3 LEU 21 HB3 LEU 21 -9.264 17.698 25.318 726 HG LEU 21 HG LEU 21 -8.588 17.411 27.573 727 HD11 LEU 21 HD11 LEU 21 -10.614 15.208 27.178 728 HD12 LEU 21 HD12 LEU 21 -10.996 16.946 27.159 729 HD13 LEU 21 HD13 LEU 21 -10.300 16.207 28.589 730 HD21 LEU 21 HD21 LEU 21 -6.986 15.527 27.173 731 HD22 LEU 21 HD22 LEU 21 -8.400 14.434 26.998 732 HD23 LEU 21 HD23 LEU 21 -8.082 15.267 28.546 733 H LEU 22 H LEU 22 -11.468 16.562 24.337 734 HA LEU 22 HA LEU 22 -12.260 14.160 25.790 735 HB2 LEU 22 HB2 LEU 22 -13.441 16.229 26.122 736 HB3 LEU 22 HB3 LEU 22 -13.825 16.394 24.421 737 HG LEU 22 HG LEU 22 -15.732 15.837 25.876 738 HD11 LEU 22 HD11 LEU 22 -16.845 14.349 24.463 739 HD12 LEU 22 HD12 LEU 22 -15.372 13.521 23.967 740 HD13 LEU 22 HD13 LEU 22 -15.675 15.180 23.424 741 HD21 LEU 22 HD21 LEU 22 -14.669 14.367 27.498 742 HD22 LEU 22 HD22 LEU 22 -14.391 13.133 26.257 743 HD23 LEU 22 HD23 LEU 22 -16.045 13.557 26.741 744 H ASN 23 H ASN 23 -12.542 15.359 22.531 745 HA ASN 23 HA ASN 23 -13.887 13.274 21.216 746 HB2 ASN 23 HB2 ASN 23 -11.959 15.530 20.527 747 HB3 ASN 23 HB3 ASN 23 -12.431 14.469 19.296 748 HD21 ASN 23 HD21 ASN 23 -13.040 17.111 19.259 749 HD22 ASN 23 HD22 ASN 23 -14.775 17.307 19.449 750 H ILE 24 H ILE 24 -10.387 13.492 21.886 751 HA ILE 24 HA ILE 24 -9.937 10.924 20.464 752 HB ILE 24 HB ILE 24 -7.674 10.992 21.170 753 HG12 ILE 24 HG12 ILE 24 -8.460 13.314 22.911 754 HG13 ILE 24 HG13 ILE 24 -7.759 11.795 23.387 755 HG21 ILE 24 HG21 ILE 24 -6.917 12.877 19.873 756 HG22 ILE 24 HG22 ILE 24 -8.365 12.190 19.145 757 HG23 ILE 24 HG23 ILE 24 -8.476 13.696 20.060 758 HD11 ILE 24 HD11 ILE 24 -6.066 13.494 23.548 759 HD12 ILE 24 HD12 ILE 24 -5.636 12.423 22.198 760 HD13 ILE 24 HD13 ILE 24 -6.345 14.030 21.884 761 H LEU 25 H LEU 25 -10.556 11.944 23.792 762 HA LEU 25 HA LEU 25 -9.724 9.484 24.966 763 HB2 LEU 25 HB2 LEU 25 -9.779 11.678 26.074 764 HB3 LEU 25 HB3 LEU 25 -11.544 11.691 25.990 765 HG LEU 25 HG LEU 25 -11.600 9.697 27.507 766 HD11 LEU 25 HD11 LEU 25 -8.584 10.165 27.609 767 HD12 LEU 25 HD12 LEU 25 -9.406 8.701 27.026 768 HD13 LEU 25 HD13 LEU 25 -9.493 9.130 28.738 769 HD21 LEU 25 HD21 LEU 25 -11.766 11.993 28.381 770 HD22 LEU 25 HD22 LEU 25 -9.999 12.075 28.539 771 HD23 LEU 25 HD23 LEU 25 -10.933 10.927 29.525 772 H ILE 26 H ILE 26 -12.849 10.565 23.684 773 HA ILE 26 HA ILE 26 -14.340 8.270 24.686 774 HB ILE 26 HB ILE 26 -16.206 9.084 23.420 775 HG12 ILE 26 HG12 ILE 26 -14.521 11.348 22.298 776 HG13 ILE 26 HG13 ILE 26 -14.822 9.864 21.399 777 HG21 ILE 26 HG21 ILE 26 -14.779 11.330 24.874 778 HG22 ILE 26 HG22 ILE 26 -16.519 11.219 24.564 779 HG23 ILE 26 HG23 ILE 26 -15.730 10.036 25.612 780 HD11 ILE 26 HD11 ILE 26 -16.424 11.533 20.714 781 HD12 ILE 26 HD12 ILE 26 -17.270 10.235 21.586 782 HD13 ILE 26 HD13 ILE 26 -16.953 11.798 22.384 783 H ASN 27 H ASN 27 -15.856 7.276 22.816 784 HA ASN 27 HA ASN 27 -14.315 5.120 21.934 785 HB2 ASN 27 HB2 ASN 27 -16.421 4.319 20.941 786 HB3 ASN 27 HB3 ASN 27 -16.647 4.933 22.570 787 HD21 ASN 27 HD21 ASN 27 -18.080 6.758 22.877 788 HD22 ASN 27 HD22 ASN 27 -18.947 7.440 21.516 789 H HIS 28 H HIS 28 -15.233 7.953 19.991 790 HA HIS 28 HA HIS 28 -13.387 7.044 17.869 791 HB2 HIS 28 HB2 HIS 28 -16.278 7.863 17.359 792 HB3 HIS 28 HB3 HIS 28 -15.041 7.774 16.112 793 HD1 HIS 28 HD1 HIS 28 -17.274 5.504 18.191 794 HD2 HIS 28 HD2 HIS 28 -14.205 5.311 15.319 795 HE1 HIS 28 HE1 HIS 28 -17.277 3.105 17.298 796 H GLU 29 H GLU 29 -12.407 8.676 16.712 797 HA GLU 29 HA GLU 29 -12.194 11.284 17.906 798 HB2 GLU 29 HB2 GLU 29 -11.233 10.212 15.228 799 HB3 GLU 29 HB3 GLU 29 -10.833 11.809 15.876 800 HG2 GLU 29 HG2 GLU 29 -9.770 10.771 17.849 801 HG3 GLU 29 HG3 GLU 29 -10.168 9.164 17.243 802 H TYR 30 H TYR 30 -12.969 13.261 17.295 803 HA TYR 30 HA TYR 30 -15.376 13.205 15.502 804 HB2 TYR 30 HB2 TYR 30 -15.799 12.709 17.917 805 HB3 TYR 30 HB3 TYR 30 -15.136 14.301 18.298 806 HD1 TYR 30 HD1 TYR 30 -17.778 12.665 16.169 807 HD2 TYR 30 HD2 TYR 30 -16.594 16.146 18.426 808 HE1 TYR 30 HE1 TYR 30 -20.002 13.710 15.741 809 HE2 TYR 30 HE2 TYR 30 -18.797 17.170 18.021 810 HH TYR 30 HH TYR 30 -20.880 16.934 17.040 811 H ALA 31 H ALA 31 -12.900 15.479 16.901 812 HA ALA 31 HA ALA 31 -13.896 17.855 16.146 813 HB1 ALA 31 HB1 ALA 31 -11.521 18.540 15.854 814 HB2 ALA 31 HB2 ALA 31 -11.773 17.501 17.288 815 HB3 ALA 31 HB3 ALA 31 -11.052 16.836 15.795 816 H ILE 32 H ILE 32 -12.240 15.613 13.879 817 HA ILE 32 HA ILE 32 -12.443 17.324 11.672 818 HB ILE 32 HB ILE 32 -12.070 14.345 11.907 819 HG12 ILE 32 HG12 ILE 32 -10.211 15.781 12.661 820 HG13 ILE 32 HG13 ILE 32 -9.798 14.811 11.255 821 HG21 ILE 32 HG21 ILE 32 -11.430 14.268 9.563 822 HG22 ILE 32 HG22 ILE 32 -13.139 14.614 9.747 823 HG23 ILE 32 HG23 ILE 32 -12.026 15.925 9.308 824 HD11 ILE 32 HD11 ILE 32 -10.485 17.787 11.131 825 HD12 ILE 32 HD12 ILE 32 -8.871 17.123 11.143 826 HD13 ILE 32 HD13 ILE 32 -9.926 16.760 9.783 827 H GLU 33 H GLU 33 -14.880 15.148 12.902 828 HA GLU 33 HA GLU 33 -16.664 15.122 10.685 829 HB2 GLU 33 HB2 GLU 33 -16.889 13.885 12.920 830 HB3 GLU 33 HB3 GLU 33 -17.492 15.402 13.593 831 HG2 GLU 33 HG2 GLU 33 -19.404 14.130 13.091 832 HG3 GLU 33 HG3 GLU 33 -19.325 15.372 11.849 833 H LEU 34 H LEU 34 -16.295 17.473 13.357 834 HA LEU 34 HA LEU 34 -18.041 19.494 12.386 835 HB2 LEU 34 HB2 LEU 34 -15.662 19.380 14.283 836 HB3 LEU 34 HB3 LEU 34 -16.275 20.936 13.791 837 HG LEU 34 HG LEU 34 -17.057 20.074 15.971 838 HD11 LEU 34 HD11 LEU 34 -19.321 20.533 13.974 839 HD12 LEU 34 HD12 LEU 34 -18.338 21.814 14.711 840 HD13 LEU 34 HD13 LEU 34 -19.383 20.810 15.726 841 HD21 LEU 34 HD21 LEU 34 -18.833 18.479 16.141 842 HD22 LEU 34 HD22 LEU 34 -17.366 17.725 15.473 843 HD23 LEU 34 HD23 LEU 34 -18.750 18.118 14.413 844 H LEU 35 H LEU 35 -14.454 19.174 11.996 845 HA LEU 35 HA LEU 35 -13.943 21.465 10.528 846 HB2 LEU 35 HB2 LEU 35 -12.345 19.701 11.366 847 HB3 LEU 35 HB3 LEU 35 -12.820 18.657 10.077 848 HG LEU 35 HG LEU 35 -10.602 20.126 10.066 849 HD11 LEU 35 HD11 LEU 35 -10.418 19.672 7.706 850 HD12 LEU 35 HD12 LEU 35 -12.176 19.423 7.589 851 HD13 LEU 35 HD13 LEU 35 -11.172 18.314 8.547 852 HD21 LEU 35 HD21 LEU 35 -12.002 22.342 9.707 853 HD22 LEU 35 HD22 LEU 35 -12.230 21.696 8.084 854 HD23 LEU 35 HD23 LEU 35 -10.603 22.009 8.690 855 H SER 36 H SER 36 -14.857 18.235 9.035 856 HA SER 36 HA SER 36 -14.852 19.287 6.366 857 HB2 SER 36 HB2 SER 36 -14.522 16.912 6.984 858 HB3 SER 36 HB3 SER 36 -16.233 16.838 7.457 859 HG SER 36 HG SER 36 -15.221 17.488 4.867 860 H SER 37 H SER 37 -17.476 18.765 8.775 861 HA SER 37 HA SER 37 -19.621 19.444 7.067 862 HB2 SER 37 HB2 SER 37 -19.637 18.535 9.513 863 HB3 SER 37 HB3 SER 37 -19.632 20.244 9.981 864 HG SER 37 HG SER 37 -21.757 19.673 9.734 865 H GLU 38 H GLU 38 -17.480 21.347 9.080 866 HA GLU 38 HA GLU 38 -18.699 23.940 8.828 867 HB2 GLU 38 HB2 GLU 38 -16.042 22.872 9.837 868 HB3 GLU 38 HB3 GLU 38 -16.268 24.571 9.737 869 HG2 GLU 38 HG2 GLU 38 -18.157 22.755 11.282 870 HG3 GLU 38 HG3 GLU 38 -16.766 23.577 11.982 871 H ILE 39 H ILE 39 -15.773 22.557 7.203 872 HA ILE 39 HA ILE 39 -15.230 24.928 5.713 873 HB ILE 39 HB ILE 39 -13.947 23.486 4.182 874 HG12 ILE 39 HG12 ILE 39 -13.556 21.087 5.512 875 HG13 ILE 39 HG13 ILE 39 -15.291 21.303 5.613 876 HG21 ILE 39 HG21 ILE 39 -12.231 22.906 5.926 877 HG22 ILE 39 HG22 ILE 39 -12.902 24.524 6.149 878 HG23 ILE 39 HG23 ILE 39 -13.486 23.189 7.159 879 HD11 ILE 39 HD11 ILE 39 -14.681 19.994 3.632 880 HD12 ILE 39 HD12 ILE 39 -15.361 21.543 3.099 881 HD13 ILE 39 HD13 ILE 39 -13.609 21.292 3.072 882 H ASN 40 H ASN 40 -17.144 21.997 4.918 883 HA ASN 40 HA ASN 40 -17.885 23.147 2.364 884 HB2 ASN 40 HB2 ASN 40 -19.017 21.311 1.854 885 HB3 ASN 40 HB3 ASN 40 -17.917 20.647 3.052 886 HD21 ASN 40 HD21 ASN 40 -18.815 19.825 4.952 887 HD22 ASN 40 HD22 ASN 40 -20.556 19.715 5.200 888 H ASP 41 H ASP 41 -19.299 23.668 5.551 889 HA ASP 41 HA ASP 41 -21.784 24.781 4.513 890 HB2 ASP 41 HB2 ASP 41 -21.322 23.893 6.881 891 HB3 ASP 41 HB3 ASP 41 -20.524 25.435 7.192 892 H ILE 42 H ILE 42 -18.519 25.977 4.978 893 HA ILE 42 HA ILE 42 -19.308 28.774 4.313 894 HB ILE 42 HB ILE 42 -16.663 27.447 4.917 895 HG12 ILE 42 HG12 ILE 42 -16.601 29.334 6.598 896 HG13 ILE 42 HG13 ILE 42 -18.207 29.823 6.083 897 HG21 ILE 42 HG21 ILE 42 -17.058 30.268 3.818 898 HG22 ILE 42 HG22 ILE 42 -15.566 29.657 4.565 899 HG23 ILE 42 HG23 ILE 42 -16.131 28.952 3.056 900 HD11 ILE 42 HD11 ILE 42 -17.406 27.212 7.403 901 HD12 ILE 42 HD12 ILE 42 -18.338 28.524 8.150 902 HD13 ILE 42 HD13 ILE 42 -19.063 27.552 6.877 903 H GLU 43 H GLU 43 -17.613 26.120 2.695 904 HA GLU 43 HA GLU 43 -17.076 27.455 0.255 905 HB2 GLU 43 HB2 GLU 43 -16.154 25.236 1.091 906 HB3 GLU 43 HB3 GLU 43 -17.631 24.474 0.561 907 HG2 GLU 43 HG2 GLU 43 -15.929 24.176 -1.138 908 HG3 GLU 43 HG3 GLU 43 -17.224 25.166 -1.767 909 H THR 44 H THR 44 -19.767 25.245 0.953 910 HA THR 44 HA THR 44 -21.205 26.209 -1.503 911 HB THR 44 HB THR 44 -20.365 23.988 -1.862 912 HG1 THR 44 HG1 THR 44 -22.305 23.078 -2.455 913 HG21 THR 44 HG21 THR 44 -21.973 23.168 0.589 914 HG22 THR 44 HG22 THR 44 -20.221 23.006 0.326 915 HG23 THR 44 HG23 THR 44 -21.342 22.041 -0.633 916 H GLY 45 H GLY 45 -21.668 25.219 1.936 917 HA2 GLY 45 HA2 GLY 45 -24.434 25.947 2.034 918 HA3 GLY 45 HA3 GLY 45 -23.313 25.948 3.392 919 H THR 46 H THR 46 -21.630 27.988 1.832 920 HA THR 46 HA THR 46 -21.247 30.163 1.759 921 HB THR 46 HB THR 46 -22.807 31.691 0.655 922 HG1 THR 46 HG1 THR 46 -24.774 30.741 1.363 923 HG21 THR 46 HG21 THR 46 -22.780 30.573 -1.501 924 HG22 THR 46 HG22 THR 46 -22.522 28.997 -0.725 925 HG23 THR 46 HG23 THR 46 -21.270 30.254 -0.631 926 H LYS 47 H LYS 47 -21.728 29.338 4.289 927 HA LYS 47 HA LYS 47 -22.920 31.463 5.873 928 HB2 LYS 47 HB2 LYS 47 -20.480 29.703 6.382 929 HB3 LYS 47 HB3 LYS 47 -21.203 30.768 7.565 930 HG2 LYS 47 HG2 LYS 47 -22.406 28.262 6.363 931 HG3 LYS 47 HG3 LYS 47 -21.868 28.504 8.012 932 HD2 LYS 47 HD2 LYS 47 -24.288 29.797 6.687 933 HD3 LYS 47 HD3 LYS 47 -24.300 28.477 7.853 934 HE2 LYS 47 HE2 LYS 47 -23.259 29.958 9.564 935 HE3 LYS 47 HE3 LYS 47 -23.300 31.305 8.419 936 HZ1 LYS 47 HZ1 LYS 47 -25.223 31.347 9.903 937 HZ2 LYS 47 HZ2 LYS 47 -25.690 29.857 9.435 938 HZ3 LYS 47 HZ3 LYS 47 -25.736 31.098 8.374 939 H ASN 48 H ASN 48 -21.971 33.388 6.669 940 HA ASN 48 HA ASN 48 -19.460 34.346 5.438 941 HB2 ASN 48 HB2 ASN 48 -21.211 34.886 3.786 942 HB3 ASN 48 HB3 ASN 48 -22.175 35.674 5.035 943 HD21 ASN 48 HD21 ASN 48 -21.966 37.895 5.021 944 HD22 ASN 48 HD22 ASN 48 -20.515 38.741 4.503 945 H VAL 49 H VAL 49 -18.307 35.446 6.834 946 HA VAL 49 HA VAL 49 -19.271 37.319 8.794 947 HB VAL 49 HB VAL 49 -19.858 35.336 10.041 948 HG11 VAL 49 HG11 VAL 49 -18.444 33.640 9.001 949 HG12 VAL 49 HG12 VAL 49 -17.004 34.385 9.733 950 HG13 VAL 49 HG13 VAL 49 -18.252 33.635 10.756 951 HG21 VAL 49 HG21 VAL 49 -18.822 37.194 11.357 952 HG22 VAL 49 HG22 VAL 49 -18.698 35.588 12.100 953 HG23 VAL 49 HG23 VAL 49 -17.281 36.290 11.316 954 H ASP 50 H ASP 50 -17.348 38.120 10.102 955 HA ASP 50 HA ASP 50 -14.919 38.603 8.616 956 HB2 ASP 50 HB2 ASP 50 -16.096 40.027 10.396 957 HB3 ASP 50 HB3 ASP 50 -15.476 38.892 11.592 958 H GLY 51 H GLY 51 -12.791 38.160 10.226 959 HA2 GLY 51 HA2 GLY 51 -11.843 35.699 9.684 960 HA3 GLY 51 HA3 GLY 51 -11.247 36.644 11.033 961 H THR 52 H THR 52 -14.244 35.986 12.086 962 HA THR 52 HA THR 52 -13.647 34.059 14.049 963 HB THR 52 HB THR 52 -16.270 34.645 12.611 964 HG1 THR 52 HG1 THR 52 -16.594 36.000 14.406 965 HG21 THR 52 HG21 THR 52 -16.332 32.519 13.912 966 HG22 THR 52 HG22 THR 52 -17.354 33.781 14.621 967 HG23 THR 52 HG23 THR 52 -15.762 33.408 15.341 968 H THR 53 H THR 53 -15.623 33.318 11.038 969 HA THR 53 HA THR 53 -15.278 30.556 11.431 970 HB THR 53 HB THR 53 -17.097 31.636 10.111 971 HG1 THR 53 HG1 THR 53 -16.847 29.463 10.032 972 HG21 THR 53 HG21 THR 53 -16.866 32.095 7.779 973 HG22 THR 53 HG22 THR 53 -15.193 31.524 7.735 974 HG23 THR 53 HG23 THR 53 -15.590 33.040 8.575 975 H TYR 54 H TYR 54 -13.420 32.750 9.306 976 HA TYR 54 HA TYR 54 -11.682 31.010 7.984 977 HB2 TYR 54 HB2 TYR 54 -11.093 33.635 9.422 978 HB3 TYR 54 HB3 TYR 54 -9.926 32.807 8.434 979 HD1 TYR 54 HD2 TYR 54 -13.247 34.555 8.274 980 HD2 TYR 54 HD1 TYR 54 -9.940 32.878 6.063 981 HE1 TYR 54 HE2 TYR 54 -14.089 35.640 6.211 982 HE2 TYR 54 HE1 TYR 54 -10.788 33.977 3.984 983 HH TYR 54 HH TYR 54 -13.758 35.990 3.968 984 H LYS 55 H LYS 55 -11.163 32.440 11.263 985 HA LYS 55 HA LYS 55 -8.953 30.955 11.898 986 HB2 LYS 55 HB2 LYS 55 -9.636 33.109 12.841 987 HB3 LYS 55 HB3 LYS 55 -10.983 32.392 13.638 988 HG2 LYS 55 HG2 LYS 55 -9.202 32.276 15.336 989 HG3 LYS 55 HG3 LYS 55 -9.009 30.721 14.588 990 HD2 LYS 55 HD2 LYS 55 -7.565 32.136 12.798 991 HD3 LYS 55 HD3 LYS 55 -7.391 33.231 14.160 992 HE2 LYS 55 HE2 LYS 55 -6.600 31.324 15.601 993 HE3 LYS 55 HE3 LYS 55 -6.674 30.263 14.193 994 HZ1 LYS 55 HZ1 LYS 55 -5.007 31.702 13.114 995 HZ2 LYS 55 HZ2 LYS 55 -4.426 31.130 14.529 996 HZ3 LYS 55 HZ3 LYS 55 -4.942 32.673 14.427 997 H LYS 56 H LYS 56 -12.382 30.129 12.663 998 HA LYS 56 HA LYS 56 -11.696 27.683 13.987 999 HB2 LYS 56 HB2 LYS 56 -14.240 28.514 12.596 1000 HB3 LYS 56 HB3 LYS 56 -14.016 26.889 13.274 1001 HG2 LYS 56 HG2 LYS 56 -15.059 28.060 14.979 1002 HG3 LYS 56 HG3 LYS 56 -13.360 27.966 15.465 1003 HD2 LYS 56 HD2 LYS 56 -13.037 30.320 14.890 1004 HD3 LYS 56 HD3 LYS 56 -14.747 30.439 14.365 1005 HE2 LYS 56 HE2 LYS 56 -15.534 29.881 16.582 1006 HE3 LYS 56 HE3 LYS 56 -13.921 29.414 17.108 1007 HZ1 LYS 56 HZ1 LYS 56 -14.449 31.574 17.974 1008 HZ2 LYS 56 HZ2 LYS 56 -14.761 32.192 16.494 1009 HZ3 LYS 56 HZ3 LYS 56 -13.235 31.750 16.913 1010 H LEU 57 H LEU 57 -12.152 28.167 10.442 1011 HA LEU 57 HA LEU 57 -11.836 25.320 9.897 1012 HB2 LEU 57 HB2 LEU 57 -11.307 27.591 8.014 1013 HB3 LEU 57 HB3 LEU 57 -11.671 25.936 7.577 1014 HG LEU 57 HG LEU 57 -13.589 27.999 8.714 1015 HD11 LEU 57 HD11 LEU 57 -14.770 27.710 6.601 1016 HD12 LEU 57 HD12 LEU 57 -13.505 26.598 6.037 1017 HD13 LEU 57 HD13 LEU 57 -13.114 28.289 6.366 1018 HD21 LEU 57 HD21 LEU 57 -14.150 25.089 8.139 1019 HD22 LEU 57 HD22 LEU 57 -15.364 26.340 8.474 1020 HD23 LEU 57 HD23 LEU 57 -14.194 25.891 9.720 1021 H VAL 58 H VAL 58 -9.568 28.093 9.907 1022 HA VAL 58 HA VAL 58 -7.350 26.441 9.040 1023 HB VAL 58 HB VAL 58 -7.738 28.882 8.531 1024 HG11 VAL 58 HG11 VAL 58 -8.025 29.476 10.994 1025 HG12 VAL 58 HG12 VAL 58 -6.267 29.486 11.115 1026 HG13 VAL 58 HG13 VAL 58 -7.105 30.595 9.988 1027 HG21 VAL 58 HG21 VAL 58 -5.658 27.738 7.946 1028 HG22 VAL 58 HG22 VAL 58 -5.388 29.433 8.382 1029 HG23 VAL 58 HG23 VAL 58 -4.983 28.158 9.548 1030 H THR 59 H THR 59 -8.642 27.263 12.194 1031 HA THR 59 HA THR 59 -6.204 26.480 13.626 1032 HB THR 59 HB THR 59 -7.962 28.028 14.560 1033 HG1 THR 59 HG1 THR 59 -6.379 27.345 15.874 1034 HG21 THR 59 HG21 THR 59 -9.362 25.394 15.191 1035 HG22 THR 59 HG22 THR 59 -9.902 26.707 14.161 1036 HG23 THR 59 HG23 THR 59 -9.739 26.973 15.899 1037 H LEU 60 H LEU 60 -9.179 24.920 12.556 1038 HA LEU 60 HA LEU 60 -9.046 22.421 13.808 1039 HB2 LEU 60 HB2 LEU 60 -10.114 23.350 11.225 1040 HB3 LEU 60 HB3 LEU 60 -9.663 21.659 11.271 1041 HG LEU 60 HG LEU 60 -11.984 21.933 11.785 1042 HD11 LEU 60 HD11 LEU 60 -10.728 20.100 12.951 1043 HD12 LEU 60 HD12 LEU 60 -12.314 20.592 13.575 1044 HD13 LEU 60 HD13 LEU 60 -10.820 21.110 14.418 1045 HD21 LEU 60 HD21 LEU 60 -12.342 23.958 12.628 1046 HD22 LEU 60 HD22 LEU 60 -11.108 23.806 13.913 1047 HD23 LEU 60 HD23 LEU 60 -12.675 22.931 14.016 1048 H TYR 61 H TYR 61 -7.382 23.201 10.745 1049 HA TYR 61 HA TYR 61 -5.718 20.808 10.862 1050 HB2 TYR 61 HB2 TYR 61 -4.913 21.253 8.873 1051 HB3 TYR 61 HB3 TYR 61 -6.199 22.467 8.780 1052 HD1 TYR 61 HD2 TYR 61 -2.577 21.824 9.104 1053 HD2 TYR 61 HD1 TYR 61 -5.566 24.906 8.952 1054 HE1 TYR 61 HE2 TYR 61 -0.805 23.481 8.703 1055 HE2 TYR 61 HE1 TYR 61 -3.751 26.594 8.591 1056 HH TYR 61 HH TYR 61 -0.305 25.701 8.393 1057 H ASP 62 H ASP 62 -5.200 24.102 11.871 1058 HA ASP 62 HA ASP 62 -2.453 24.014 12.532 1059 HB2 ASP 62 HB2 ASP 62 -3.870 26.081 12.665 1060 HB3 ASP 62 HB3 ASP 62 -4.527 25.451 14.190 1061 H ARG 63 H ARG 63 -5.131 22.450 14.236 1062 HA ARG 63 HA ARG 63 -3.155 21.434 16.271 1063 HB2 ARG 63 HB2 ARG 63 -5.683 22.375 16.655 1064 HB3 ARG 63 HB3 ARG 63 -5.994 20.711 16.573 1065 HG2 ARG 63 HG2 ARG 63 -5.666 20.587 18.719 1066 HG3 ARG 63 HG3 ARG 63 -3.950 20.526 18.326 1067 HD2 ARG 63 HD2 ARG 63 -5.577 23.002 18.595 1068 HD3 ARG 63 HD3 ARG 63 -4.758 22.311 20.028 1069 HE ARG 63 HE ARG 63 -2.575 22.642 18.864 1070 HH11 ARG 63 HH21 ARG 63 -5.067 24.998 17.917 1071 HH12 ARG 63 HH22 ARG 63 -3.900 25.721 16.803 1072 HH21 ARG 63 HH11 ARG 63 -1.281 23.828 17.650 1073 HH22 ARG 63 HH12 ARG 63 -1.954 25.194 16.729 1074 H PHE 64 H PHE 64 -5.651 20.245 14.024 1075 HA PHE 64 HA PHE 64 -5.263 17.493 14.488 1076 HB2 PHE 64 HB2 PHE 64 -7.204 18.251 13.385 1077 HB3 PHE 64 HB3 PHE 64 -6.267 19.031 12.117 1078 HD1 PHE 64 HD1 PHE 64 -7.552 15.772 13.415 1079 HD2 PHE 64 HD2 PHE 64 -5.286 17.675 10.302 1080 HE1 PHE 64 HE1 PHE 64 -7.735 13.723 12.005 1081 HE2 PHE 64 HE2 PHE 64 -5.355 15.602 8.947 1082 HZ PHE 64 HZ PHE 64 -6.543 13.602 9.828 1083 H ARG 65 H ARG 65 -3.621 19.483 11.921 1084 HA ARG 65 HA ARG 65 -2.242 17.194 10.793 1085 HB2 ARG 65 HB2 ARG 65 -2.178 20.239 10.509 1086 HB3 ARG 65 HB3 ARG 65 -1.089 19.303 9.626 1087 HG2 ARG 65 HG2 ARG 65 -4.061 19.127 9.404 1088 HG3 ARG 65 HG3 ARG 65 -3.006 19.899 8.229 1089 HD2 ARG 65 HD2 ARG 65 -2.773 16.960 8.873 1090 HD3 ARG 65 HD3 ARG 65 -3.856 17.567 7.635 1091 HE ARG 65 HE ARG 65 -2.062 18.177 6.259 1092 HH11 ARG 65 HH22 ARG 65 -0.636 16.801 9.186 1093 HH12 ARG 65 HH21 ARG 65 0.844 16.469 8.344 1094 HH21 ARG 65 HH11 ARG 65 -0.256 17.707 5.326 1095 HH22 ARG 65 HH12 ARG 65 1.081 16.997 6.208 1096 H PHE 66 H PHE 66 -1.523 19.656 12.953 1097 HA PHE 66 HA PHE 66 1.334 18.907 13.294 1098 HB2 PHE 66 HB2 PHE 66 -0.255 21.263 14.321 1099 HB3 PHE 66 HB3 PHE 66 1.444 21.023 14.629 1100 HD1 PHE 66 HD1 PHE 66 2.493 20.146 11.941 1101 HD2 PHE 66 HD2 PHE 66 -0.372 23.187 13.004 1102 HE1 PHE 66 HE1 PHE 66 3.027 21.382 9.863 1103 HE2 PHE 66 HE2 PHE 66 0.170 24.428 10.934 1104 HZ PHE 66 HZ PHE 66 1.874 23.526 9.351 1105 H GLU 67 H GLU 67 -1.276 19.590 15.739 1106 HA GLU 67 HA GLU 67 0.557 18.805 17.885 1107 HB2 GLU 67 HB2 GLU 67 -1.757 20.449 17.557 1108 HB3 GLU 67 HB3 GLU 67 -2.229 19.178 18.666 1109 HG2 GLU 67 HG2 GLU 67 -1.533 20.926 19.960 1110 HG3 GLU 67 HG3 GLU 67 -0.216 19.767 20.084 1111 H ASN 68 H ASN 68 -2.398 17.586 16.539 1112 HA ASN 68 HA ASN 68 -2.816 15.500 18.546 1113 HB2 ASN 68 HB2 ASN 68 -4.326 16.005 15.942 1114 HB3 ASN 68 HB3 ASN 68 -4.839 14.950 17.266 1115 HD21 ASN 68 HD22 ASN 68 -4.716 16.151 19.521 1116 HD22 ASN 68 HD21 ASN 68 -5.685 17.608 19.473 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -1.547 -6.250 5.171 2 H2 GLY 1 H2 GLY 1 -0.406 -7.029 4.291 3 H3 GLY 1 H3 GLY 1 -1.681 -7.861 4.897 4 HA2 GLY 1 HA2 GLY 1 -1.976 -7.497 2.533 5 HA3 GLY 1 HA3 GLY 1 -3.227 -6.686 3.492 6 H SER 2 H SER 2 -1.956 -6.115 0.777 7 HA SER 2 HA SER 2 -1.703 -3.199 1.118 8 HB2 SER 2 HB2 SER 2 0.629 -4.134 1.308 9 HB3 SER 2 HB3 SER 2 0.454 -4.774 -0.338 10 HG SER 2 HG SER 2 1.462 -2.686 -0.259 11 H HIS 3 H HIS 3 -1.807 -2.059 -0.938 12 HA HIS 3 HA HIS 3 -2.819 -3.401 -3.317 13 HB2 HIS 3 HB2 HIS 3 -4.776 -3.261 -1.607 14 HB3 HIS 3 HB3 HIS 3 -4.744 -1.519 -1.876 15 HD1 HIS 3 HD1 HIS 3 -5.569 -0.710 -4.348 16 HD2 HIS 3 HD2 HIS 3 -5.647 -4.852 -3.585 17 HE1 HIS 3 HE1 HIS 3 -6.909 -1.774 -6.254 18 H MET 4 H MET 4 -3.319 -1.818 -5.058 19 HA MET 4 HA MET 4 -1.583 0.504 -5.161 20 HB2 MET 4 HB2 MET 4 -3.876 -0.338 -6.995 21 HB3 MET 4 HB3 MET 4 -2.704 0.941 -7.313 22 HG2 MET 4 HG2 MET 4 -1.915 -0.855 -8.550 23 HG3 MET 4 HG3 MET 4 -0.875 -0.823 -7.130 24 HE1 MET 4 HE1 MET 4 -0.978 -4.622 -8.065 25 HE2 MET 4 HE2 MET 4 -0.967 -3.233 -9.174 26 HE3 MET 4 HE3 MET 4 0.047 -3.214 -7.712 27 H ARG 5 H ARG 5 -2.155 2.683 -5.223 28 HA ARG 5 HA ARG 5 -4.838 3.500 -4.180 29 HB2 ARG 5 HB2 ARG 5 -2.649 3.566 -2.633 30 HB3 ARG 5 HB3 ARG 5 -2.350 5.067 -3.468 31 HG2 ARG 5 HG2 ARG 5 -4.700 5.810 -2.759 32 HG3 ARG 5 HG3 ARG 5 -4.820 4.361 -1.824 33 HD2 ARG 5 HD2 ARG 5 -4.245 5.772 -0.240 34 HD3 ARG 5 HD3 ARG 5 -2.708 4.993 -0.605 35 HE ARG 5 HE ARG 5 -2.871 7.366 -2.191 36 HH11 ARG 5 HH11 ARG 5 -2.494 6.499 1.188 37 HH12 ARG 5 HH12 ARG 5 -1.389 7.813 1.481 38 HH21 ARG 5 HH21 ARG 5 -1.745 9.150 -1.703 39 HH22 ARG 5 HH22 ARG 5 -0.977 9.318 -0.144 40 H MET 6 H MET 6 -5.618 5.500 -4.933 41 HA MET 6 HA MET 6 -4.059 6.719 -7.121 42 HB2 MET 6 HB2 MET 6 -7.070 6.498 -6.952 43 HB3 MET 6 HB3 MET 6 -6.164 7.132 -8.329 44 HG2 MET 6 HG2 MET 6 -6.071 4.261 -7.343 45 HG3 MET 6 HG3 MET 6 -6.994 4.846 -8.724 46 HE1 MET 6 HE1 MET 6 -5.915 2.810 -10.074 47 HE2 MET 6 HE2 MET 6 -4.164 2.577 -10.267 48 HE3 MET 6 HE3 MET 6 -4.915 2.364 -8.671 49 H SER 7 H SER 7 -4.435 7.567 -4.250 50 HA SER 7 HA SER 7 -4.935 9.272 -2.974 51 HB2 SER 7 HB2 SER 7 -3.349 10.623 -5.141 52 HB3 SER 7 HB3 SER 7 -3.703 11.376 -3.569 53 HG SER 7 HG SER 7 -1.685 10.043 -3.829 54 H LEU 8 H LEU 8 -5.441 11.495 -5.793 55 HA LEU 8 HA LEU 8 -8.250 11.810 -4.812 56 HB2 LEU 8 HB2 LEU 8 -6.690 14.279 -5.543 57 HB3 LEU 8 HB3 LEU 8 -8.205 14.114 -4.738 58 HG LEU 8 HG LEU 8 -5.699 13.090 -3.351 59 HD11 LEU 8 HD11 LEU 8 -5.510 15.223 -2.225 60 HD12 LEU 8 HD12 LEU 8 -6.779 15.922 -3.266 61 HD13 LEU 8 HD13 LEU 8 -5.223 15.398 -3.960 62 HD21 LEU 8 HD21 LEU 8 -7.106 13.573 -1.375 63 HD22 LEU 8 HD22 LEU 8 -7.951 12.476 -2.497 64 HD23 LEU 8 HD23 LEU 8 -8.382 14.196 -2.460 65 H ILE 9 H ILE 9 -8.973 10.572 -6.536 66 HA ILE 9 HA ILE 9 -8.516 11.319 -9.280 67 HB ILE 9 HB ILE 9 -10.946 9.772 -8.400 68 HG12 ILE 9 HG12 ILE 9 -8.155 8.582 -8.259 69 HG13 ILE 9 HG13 ILE 9 -9.175 8.868 -6.901 70 HG21 ILE 9 HG21 ILE 9 -8.924 9.295 -10.631 71 HG22 ILE 9 HG22 ILE 9 -10.508 8.511 -10.436 72 HG23 ILE 9 HG23 ILE 9 -10.426 10.224 -10.814 73 HD11 ILE 9 HD11 ILE 9 -10.902 7.361 -7.877 74 HD12 ILE 9 HD12 ILE 9 -9.687 6.847 -9.080 75 HD13 ILE 9 HD13 ILE 9 -9.400 6.586 -7.349 76 H GLY 10 H GLY 10 -10.867 12.175 -6.830 77 HA2 GLY 10 HA2 GLY 10 -12.238 14.131 -6.864 78 HA3 GLY 10 HA3 GLY 10 -12.200 14.164 -8.609 79 H GLU 11 H GLU 11 -12.821 10.961 -7.638 80 HA GLU 11 HA GLU 11 -15.593 11.403 -6.771 81 HB2 GLU 11 HB2 GLU 11 -15.712 9.038 -8.423 82 HB3 GLU 11 HB3 GLU 11 -16.743 10.446 -8.346 83 HG2 GLU 11 HG2 GLU 11 -15.167 11.661 -9.902 84 HG3 GLU 11 HG3 GLU 11 -14.315 10.132 -10.131 85 H ARG 12 H ARG 12 -13.351 8.707 -7.553 86 HA ARG 12 HA ARG 12 -12.702 6.897 -6.423 87 HB2 ARG 12 HB2 ARG 12 -12.595 8.073 -3.731 88 HB3 ARG 12 HB3 ARG 12 -11.525 7.021 -4.604 89 HG2 ARG 12 HG2 ARG 12 -10.132 8.644 -4.856 90 HG3 ARG 12 HG3 ARG 12 -11.178 9.355 -6.051 91 HD2 ARG 12 HD2 ARG 12 -10.792 9.973 -3.100 92 HD3 ARG 12 HD3 ARG 12 -10.764 11.117 -4.448 93 HE ARG 12 HE ARG 12 -13.355 10.371 -4.511 94 HH11 ARG 12 HH21 ARG 12 -11.627 11.288 -1.587 95 HH12 ARG 12 HH22 ARG 12 -13.125 11.272 -0.683 96 HH21 ARG 12 HH11 ARG 12 -15.053 10.648 -3.436 97 HH22 ARG 12 HH12 ARG 12 -15.031 11.383 -1.861 98 H PHE 13 H PHE 13 -15.333 6.982 -6.891 99 HA PHE 13 HA PHE 13 -17.103 6.192 -4.753 100 HB2 PHE 13 HB2 PHE 13 -17.062 5.809 -7.776 101 HB3 PHE 13 HB3 PHE 13 -18.393 5.328 -6.768 102 HD1 PHE 13 HD1 PHE 13 -17.380 8.322 -5.205 103 HD2 PHE 13 HD2 PHE 13 -19.191 6.900 -8.861 104 HE1 PHE 13 HE1 PHE 13 -18.366 10.547 -5.585 105 HE2 PHE 13 HE2 PHE 13 -20.212 9.137 -9.211 106 HZ PHE 13 HZ PHE 13 -19.799 10.966 -7.574 107 H THR 14 H THR 14 -18.188 3.936 -4.842 108 HA THR 14 HA THR 14 -16.661 2.084 -3.680 109 HB THR 14 HB THR 14 -19.083 2.029 -3.822 110 HG1 THR 14 HG1 THR 14 -18.114 0.228 -3.015 111 HG21 THR 14 HG21 THR 14 -19.356 2.244 -6.317 112 HG22 THR 14 HG22 THR 14 -20.297 0.940 -5.577 113 HG23 THR 14 HG23 THR 14 -18.816 0.553 -6.467 114 H GLU 15 H GLU 15 -16.984 1.910 -7.307 115 HA GLU 15 HA GLU 15 -15.147 -0.336 -7.489 116 HB2 GLU 15 HB2 GLU 15 -16.119 1.670 -9.562 117 HB3 GLU 15 HB3 GLU 15 -15.154 0.246 -9.935 118 HG2 GLU 15 HG2 GLU 15 -17.937 0.194 -8.688 119 HG3 GLU 15 HG3 GLU 15 -17.570 -0.063 -10.385 120 H GLU 16 H GLU 16 -14.734 3.126 -7.671 121 HA GLU 16 HA GLU 16 -11.819 3.041 -8.201 122 HB2 GLU 16 HB2 GLU 16 -13.717 5.351 -7.697 123 HB3 GLU 16 HB3 GLU 16 -11.998 5.483 -8.094 124 HG2 GLU 16 HG2 GLU 16 -12.443 4.394 -10.270 125 HG3 GLU 16 HG3 GLU 16 -14.181 4.485 -9.918 126 H GLU 17 H GLU 17 -13.620 2.522 -5.498 127 HA GLU 17 HA GLU 17 -12.531 4.192 -3.578 128 HB2 GLU 17 HB2 GLU 17 -14.563 2.741 -3.461 129 HB3 GLU 17 HB3 GLU 17 -13.509 1.363 -3.091 130 HG2 GLU 17 HG2 GLU 17 -12.744 2.646 -1.030 131 HG3 GLU 17 HG3 GLU 17 -13.911 3.900 -1.451 132 H GLN 18 H GLN 18 -10.871 1.586 -4.937 133 HA GLN 18 HA GLN 18 -9.168 0.515 -3.254 134 HB2 GLN 18 HB2 GLN 18 -7.451 0.244 -4.783 135 HB3 GLN 18 HB3 GLN 18 -8.899 0.266 -5.763 136 HG2 GLN 18 HG2 GLN 18 -6.862 2.509 -5.473 137 HG3 GLN 18 HG3 GLN 18 -7.055 1.357 -6.813 138 HE21 GLN 18 HE22 GLN 18 -7.898 4.453 -5.790 139 HE22 GLN 18 HE21 GLN 18 -9.446 4.600 -6.629 140 H LYS 19 H LYS 19 -8.831 3.857 -4.109 141 HA LYS 19 HA LYS 19 -6.613 4.687 -2.614 142 HB2 LYS 19 HB2 LYS 19 -7.740 6.196 -4.067 143 HB3 LYS 19 HB3 LYS 19 -9.260 5.833 -3.386 144 HG2 LYS 19 HG2 LYS 19 -8.209 8.101 -3.006 145 HG3 LYS 19 HG3 LYS 19 -9.165 7.241 -1.778 146 HD2 LYS 19 HD2 LYS 19 -7.644 7.058 -0.312 147 HD3 LYS 19 HD3 LYS 19 -6.299 6.872 -1.363 148 HE2 LYS 19 HE2 LYS 19 -6.387 8.983 0.158 149 HE3 LYS 19 HE3 LYS 19 -6.063 9.299 -1.530 150 HZ1 LYS 19 HZ1 LYS 19 -8.225 10.045 -1.886 151 HZ2 LYS 19 HZ2 LYS 19 -7.767 10.788 -0.520 152 HZ3 LYS 19 HZ3 LYS 19 -8.813 9.526 -0.426 153 H LEU 20 H LEU 20 -9.937 4.633 -1.454 154 HA LEU 20 HA LEU 20 -9.289 5.406 1.264 155 HB2 LEU 20 HB2 LEU 20 -11.897 4.377 0.037 156 HB3 LEU 20 HB3 LEU 20 -11.747 5.169 1.555 157 HG LEU 20 HG LEU 20 -12.639 6.783 0.354 158 HD11 LEU 20 HD11 LEU 20 -10.806 7.731 1.540 159 HD12 LEU 20 HD12 LEU 20 -10.926 8.543 -0.034 160 HD13 LEU 20 HD13 LEU 20 -9.641 7.361 0.292 161 HD21 LEU 20 HD21 LEU 20 -12.016 7.395 -1.889 162 HD22 LEU 20 HD22 LEU 20 -12.632 5.743 -1.753 163 HD23 LEU 20 HD23 LEU 20 -10.912 6.010 -2.023 164 H LEU 21 H LEU 21 -10.077 2.502 -0.501 165 HA LEU 21 HA LEU 21 -10.231 0.565 1.626 166 HB2 LEU 21 HB2 LEU 21 -10.793 -0.688 -0.154 167 HB3 LEU 21 HB3 LEU 21 -10.130 0.467 -1.288 168 HG LEU 21 HG LEU 21 -7.908 -0.482 -1.042 169 HD11 LEU 21 HD11 LEU 21 -8.450 -3.097 0.151 170 HD12 LEU 21 HD12 LEU 21 -9.035 -1.888 1.276 171 HD13 LEU 21 HD13 LEU 21 -7.346 -1.852 0.722 172 HD21 LEU 21 HD21 LEU 21 -9.149 -1.461 -2.823 173 HD22 LEU 21 HD22 LEU 21 -9.648 -2.779 -1.740 174 HD23 LEU 21 HD23 LEU 21 -7.902 -2.451 -2.054 175 H LEU 22 H LEU 22 -7.384 1.929 -0.301 176 HA LEU 22 HA LEU 22 -5.761 -0.103 0.847 177 HB2 LEU 22 HB2 LEU 22 -5.078 0.897 -1.181 178 HB3 LEU 22 HB3 LEU 22 -5.088 2.525 -0.529 179 HG LEU 22 HG LEU 22 -2.859 1.550 -1.030 180 HD11 LEU 22 HD11 LEU 22 -2.908 2.120 1.936 181 HD12 LEU 22 HD12 LEU 22 -3.229 3.378 0.742 182 HD13 LEU 22 HD13 LEU 22 -1.683 2.505 0.730 183 HD21 LEU 22 HD21 LEU 22 -1.846 -0.103 0.433 184 HD22 LEU 22 HD22 LEU 22 -3.342 -0.753 -0.268 185 HD23 LEU 22 HD23 LEU 22 -3.329 -0.220 1.404 186 H ASN 23 H ASN 23 -6.314 3.284 1.430 187 HA ASN 23 HA ASN 23 -4.806 3.948 3.688 188 HB2 ASN 23 HB2 ASN 23 -7.323 4.900 2.265 189 HB3 ASN 23 HB3 ASN 23 -6.901 5.654 3.713 190 HD21 ASN 23 HD21 ASN 23 -6.961 6.962 1.335 191 HD22 ASN 23 HD22 ASN 23 -5.318 7.408 0.862 192 H ILE 24 H ILE 24 -7.936 2.199 3.734 193 HA ILE 24 HA ILE 24 -7.817 2.323 6.723 194 HB ILE 24 HB ILE 24 -9.843 1.155 6.819 195 HG12 ILE 24 HG12 ILE 24 -9.654 0.777 3.834 196 HG13 ILE 24 HG13 ILE 24 -9.647 -0.450 5.063 197 HG21 ILE 24 HG21 ILE 24 -11.335 2.837 5.951 198 HG22 ILE 24 HG22 ILE 24 -9.851 3.603 6.516 199 HG23 ILE 24 HG23 ILE 24 -10.122 3.384 4.782 200 HD11 ILE 24 HD11 ILE 24 -11.809 -0.443 4.006 201 HD12 ILE 24 HD12 ILE 24 -12.010 0.165 5.663 202 HD13 ILE 24 HD13 ILE 24 -12.016 1.294 4.283 203 H LEU 25 H LEU 25 -7.018 0.114 4.136 204 HA LEU 25 HA LEU 25 -6.877 -2.254 5.712 205 HB2 LEU 25 HB2 LEU 25 -7.265 -2.189 3.308 206 HB3 LEU 25 HB3 LEU 25 -5.686 -1.464 3.032 207 HG LEU 25 HG LEU 25 -4.569 -3.536 3.855 208 HD11 LEU 25 HD11 LEU 25 -5.918 -5.618 4.038 209 HD12 LEU 25 HD12 LEU 25 -7.407 -4.658 3.898 210 HD13 LEU 25 HD13 LEU 25 -6.337 -4.459 5.304 211 HD21 LEU 25 HD21 LEU 25 -5.034 -4.887 1.884 212 HD22 LEU 25 HD22 LEU 25 -5.000 -3.171 1.449 213 HD23 LEU 25 HD23 LEU 25 -6.556 -4.018 1.610 214 H ILE 26 H ILE 26 -4.489 0.256 4.990 215 HA ILE 26 HA ILE 26 -2.208 -1.150 6.104 216 HB ILE 26 HB ILE 26 -1.022 0.965 5.886 217 HG12 ILE 26 HG12 ILE 26 -3.538 2.256 4.785 218 HG13 ILE 26 HG13 ILE 26 -3.108 2.389 6.492 219 HG21 ILE 26 HG21 ILE 26 -1.147 1.142 3.442 220 HG22 ILE 26 HG22 ILE 26 -1.198 -0.542 3.978 221 HG23 ILE 26 HG23 ILE 26 -2.680 0.258 3.449 222 HD11 ILE 26 HD11 ILE 26 -1.394 3.339 4.167 223 HD12 ILE 26 HD12 ILE 26 -2.288 4.341 5.327 224 HD13 ILE 26 HD13 ILE 26 -0.911 3.359 5.883 225 H ASN 27 H ASN 27 -0.860 0.381 7.720 226 HA ASN 27 HA ASN 27 -1.801 -0.457 10.220 227 HB2 ASN 27 HB2 ASN 27 0.209 0.613 11.089 228 HB3 ASN 27 HB3 ASN 27 0.564 -0.300 9.626 229 HD21 ASN 27 HD21 ASN 27 1.342 0.912 7.746 230 HD22 ASN 27 HD22 ASN 27 1.703 2.617 7.898 231 H HIS 28 H HIS 28 -2.264 2.737 8.800 232 HA HIS 28 HA HIS 28 -4.071 3.363 11.040 233 HB2 HIS 28 HB2 HIS 28 -3.265 5.592 11.385 234 HB3 HIS 28 HB3 HIS 28 -1.928 4.477 11.619 235 HD1 HIS 28 HD1 HIS 28 0.028 4.559 9.700 236 HD2 HIS 28 HD2 HIS 28 -3.064 7.399 9.416 237 HE1 HIS 28 HE1 HIS 28 0.838 6.342 8.055 238 H GLU 29 H GLU 29 -5.762 4.798 10.592 239 HA GLU 29 HA GLU 29 -6.783 4.631 7.908 240 HB2 GLU 29 HB2 GLU 29 -7.783 6.112 10.358 241 HB3 GLU 29 HB3 GLU 29 -8.659 6.009 8.824 242 HG2 GLU 29 HG2 GLU 29 -8.733 3.554 8.980 243 HG3 GLU 29 HG3 GLU 29 -7.819 3.595 10.488 244 H TYR 30 H TYR 30 -7.119 6.173 6.341 245 HA TYR 30 HA TYR 30 -5.752 8.803 6.642 246 HB2 TYR 30 HB2 TYR 30 -4.335 6.781 5.781 247 HB3 TYR 30 HB3 TYR 30 -5.198 7.043 4.290 248 HD1 TYR 30 HD2 TYR 30 -3.295 9.003 6.882 249 HD2 TYR 30 HD1 TYR 30 -4.088 8.343 2.694 250 HE1 TYR 30 HE2 TYR 30 -1.481 10.601 6.271 251 HE2 TYR 30 HE1 TYR 30 -2.302 9.905 2.089 252 HH TYR 30 HH TYR 30 -0.614 11.307 2.870 253 H ALA 31 H ALA 31 -6.313 8.566 3.336 254 HA ALA 31 HA ALA 31 -7.053 10.221 2.181 255 HB1 ALA 31 HB1 ALA 31 -9.693 9.415 3.438 256 HB2 ALA 31 HB2 ALA 31 -9.487 10.297 1.915 257 HB3 ALA 31 HB3 ALA 31 -8.840 8.642 2.079 258 H ILE 32 H ILE 32 -8.399 10.682 5.384 259 HA ILE 32 HA ILE 32 -9.101 13.391 5.021 260 HB ILE 32 HB ILE 32 -9.009 11.409 7.296 261 HG12 ILE 32 HG12 ILE 32 -10.772 11.239 5.555 262 HG13 ILE 32 HG13 ILE 32 -11.399 11.528 7.174 263 HG21 ILE 32 HG21 ILE 32 -9.832 14.291 7.585 264 HG22 ILE 32 HG22 ILE 32 -10.233 12.979 8.732 265 HG23 ILE 32 HG23 ILE 32 -8.536 13.446 8.468 266 HD11 ILE 32 HD11 ILE 32 -12.530 12.805 5.282 267 HD12 ILE 32 HD12 ILE 32 -12.013 13.788 6.662 268 HD13 ILE 32 HD13 ILE 32 -11.098 13.788 5.139 269 H GLU 33 H GLU 33 -6.173 12.110 6.557 270 HA GLU 33 HA GLU 33 -5.200 14.642 7.352 271 HB2 GLU 33 HB2 GLU 33 -4.068 12.434 7.787 272 HB3 GLU 33 HB3 GLU 33 -3.461 12.468 6.121 273 HG2 GLU 33 HG2 GLU 33 -2.279 14.593 6.586 274 HG3 GLU 33 HG3 GLU 33 -2.950 14.634 8.216 275 H LEU 34 H LEU 34 -5.298 13.159 4.110 276 HA LEU 34 HA LEU 34 -3.995 15.307 2.732 277 HB2 LEU 34 HB2 LEU 34 -6.219 13.686 1.451 278 HB3 LEU 34 HB3 LEU 34 -4.885 14.498 0.696 279 HG LEU 34 HG LEU 34 -4.673 11.960 2.367 280 HD11 LEU 34 HD11 LEU 34 -4.339 12.452 -0.624 281 HD12 LEU 34 HD12 LEU 34 -5.749 11.697 0.146 282 HD13 LEU 34 HD13 LEU 34 -4.165 10.896 0.219 283 HD21 LEU 34 HD21 LEU 34 -2.615 13.169 2.613 284 HD22 LEU 34 HD22 LEU 34 -2.591 13.616 0.883 285 HD23 LEU 34 HD23 LEU 34 -2.345 11.934 1.376 286 H LEU 35 H LEU 35 -7.504 14.698 3.421 287 HA LEU 35 HA LEU 35 -8.572 16.959 2.207 288 HB2 LEU 35 HB2 LEU 35 -9.970 15.334 3.427 289 HB3 LEU 35 HB3 LEU 35 -9.314 15.845 4.949 290 HG LEU 35 HG LEU 35 -10.268 18.016 4.849 291 HD11 LEU 35 HD11 LEU 35 -11.728 18.885 3.240 292 HD12 LEU 35 HD12 LEU 35 -11.830 17.380 2.345 293 HD13 LEU 35 HD13 LEU 35 -10.335 18.322 2.308 294 HD21 LEU 35 HD21 LEU 35 -12.624 17.433 5.031 295 HD22 LEU 35 HD22 LEU 35 -11.591 16.231 5.820 296 HD23 LEU 35 HD23 LEU 35 -12.319 15.869 4.237 297 H SER 36 H SER 36 -7.359 17.014 5.672 298 HA SER 36 HA SER 36 -7.762 19.814 5.899 299 HB2 SER 36 HB2 SER 36 -7.507 18.164 7.750 300 HB3 SER 36 HB3 SER 36 -5.753 18.206 7.469 301 HG SER 36 HG SER 36 -7.023 19.811 9.001 302 H SER 37 H SER 37 -4.894 17.983 4.837 303 HA SER 37 HA SER 37 -3.089 20.156 4.700 304 HB2 SER 37 HB2 SER 37 -2.783 17.544 4.332 305 HB3 SER 37 HB3 SER 37 -2.877 18.000 2.624 306 HG SER 37 HG SER 37 -1.124 19.360 2.930 307 H GLU 38 H GLU 38 -5.366 18.802 2.427 308 HA GLU 38 HA GLU 38 -4.790 20.371 0.073 309 HB2 GLU 38 HB2 GLU 38 -7.058 18.550 0.939 310 HB3 GLU 38 HB3 GLU 38 -7.262 19.494 -0.490 311 HG2 GLU 38 HG2 GLU 38 -4.944 17.567 -0.034 312 HG3 GLU 38 HG3 GLU 38 -6.420 17.194 -0.920 313 H ILE 39 H ILE 39 -7.463 20.665 2.480 314 HA ILE 39 HA ILE 39 -8.674 22.894 1.160 315 HB ILE 39 HB ILE 39 -9.754 23.381 3.307 316 HG12 ILE 39 HG12 ILE 39 -9.498 21.144 4.886 317 HG13 ILE 39 HG13 ILE 39 -7.839 21.427 4.390 318 HG21 ILE 39 HG21 ILE 39 -10.714 21.867 1.629 319 HG22 ILE 39 HG22 ILE 39 -9.827 20.507 2.347 320 HG23 ILE 39 HG23 ILE 39 -11.131 21.308 3.259 321 HD11 ILE 39 HD11 ILE 39 -8.015 23.772 5.301 322 HD12 ILE 39 HD12 ILE 39 -9.697 23.443 5.736 323 HD13 ILE 39 HD13 ILE 39 -8.382 22.549 6.530 324 H ASN 40 H ASN 40 -6.245 22.694 3.810 325 HA ASN 40 HA ASN 40 -6.048 25.582 3.865 326 HB2 ASN 40 HB2 ASN 40 -4.513 25.473 5.465 327 HB3 ASN 40 HB3 ASN 40 -5.329 23.932 5.707 328 HD21 ASN 40 HD21 ASN 40 -4.129 22.056 5.387 329 HD22 ASN 40 HD22 ASN 40 -2.403 22.084 5.029 330 H ASP 41 H ASP 41 -4.423 23.262 1.747 331 HA ASP 41 HA ASP 41 -2.442 25.166 0.809 332 HB2 ASP 41 HB2 ASP 41 -2.443 22.597 0.581 333 HB3 ASP 41 HB3 ASP 41 -3.524 22.830 -0.792 334 H ILE 42 H ILE 42 -5.833 24.633 0.113 335 HA ILE 42 HA ILE 42 -5.815 26.561 -2.161 336 HB ILE 42 HB ILE 42 -7.996 24.928 -0.842 337 HG12 ILE 42 HG12 ILE 42 -8.300 24.209 -3.262 338 HG13 ILE 42 HG13 ILE 42 -6.872 25.139 -3.681 339 HG21 ILE 42 HG21 ILE 42 -9.590 25.930 -2.475 340 HG22 ILE 42 HG22 ILE 42 -9.049 27.101 -1.282 341 HG23 ILE 42 HG23 ILE 42 -8.361 27.131 -2.924 342 HD11 ILE 42 HD11 ILE 42 -5.545 23.610 -2.103 343 HD12 ILE 42 HD12 ILE 42 -7.062 22.705 -1.882 344 HD13 ILE 42 HD13 ILE 42 -6.271 22.789 -3.463 345 H GLU 43 H GLU 43 -7.011 26.490 1.173 346 HA GLU 43 HA GLU 43 -8.166 29.064 1.240 347 HB2 GLU 43 HB2 GLU 43 -8.356 27.120 2.904 348 HB3 GLU 43 HB3 GLU 43 -6.848 27.659 3.602 349 HG2 GLU 43 HG2 GLU 43 -8.645 28.502 4.940 350 HG3 GLU 43 HG3 GLU 43 -7.878 29.863 4.140 351 H THR 44 H THR 44 -4.927 28.101 2.293 352 HA THR 44 HA THR 44 -4.060 30.977 2.340 353 HB THR 44 HB THR 44 -4.402 30.214 4.600 354 HG1 THR 44 HG1 THR 44 -2.717 31.628 4.292 355 HG21 THR 44 HG21 THR 44 -2.394 28.017 3.977 356 HG22 THR 44 HG22 THR 44 -4.083 27.838 4.508 357 HG23 THR 44 HG23 THR 44 -2.884 28.512 5.613 358 H GLY 45 H GLY 45 -2.966 27.616 1.609 359 HA2 GLY 45 HA2 GLY 45 -0.443 28.397 0.522 360 HA3 GLY 45 HA3 GLY 45 -1.382 26.984 0.042 361 H THR 46 H THR 46 -3.655 28.807 -0.787 362 HA THR 46 HA THR 46 -4.518 29.763 -2.588 363 HB THR 46 HB THR 46 -2.006 31.342 -3.119 364 HG1 THR 46 HG1 THR 46 -2.652 32.724 -1.496 365 HG21 THR 46 HG21 THR 46 -4.991 32.020 -3.129 366 HG22 THR 46 HG22 THR 46 -4.011 31.736 -4.581 367 HG23 THR 46 HG23 THR 46 -3.669 33.134 -3.555 368 H LYS 47 H LYS 47 -3.633 27.266 -3.093 369 HA LYS 47 HA LYS 47 -2.642 26.976 -5.806 370 HB2 LYS 47 HB2 LYS 47 -4.667 25.347 -4.208 371 HB3 LYS 47 HB3 LYS 47 -4.056 24.885 -5.780 372 HG2 LYS 47 HG2 LYS 47 -2.491 25.083 -3.192 373 HG3 LYS 47 HG3 LYS 47 -2.933 23.626 -4.057 374 HD2 LYS 47 HD2 LYS 47 -0.935 25.738 -4.978 375 HD3 LYS 47 HD3 LYS 47 -0.564 24.150 -4.314 376 HE2 LYS 47 HE2 LYS 47 -1.738 23.062 -6.223 377 HE3 LYS 47 HE3 LYS 47 -2.059 24.652 -6.927 378 HZ1 LYS 47 HZ1 LYS 47 0.645 23.522 -6.428 379 HZ2 LYS 47 HZ2 LYS 47 0.358 24.995 -7.074 380 HZ3 LYS 47 HZ3 LYS 47 -0.068 23.646 -7.888 381 H ASN 48 H ASN 48 -3.754 26.986 -7.783 382 HA ASN 48 HA ASN 48 -6.516 28.024 -7.881 383 HB2 ASN 48 HB2 ASN 48 -5.115 30.044 -7.669 384 HB3 ASN 48 HB3 ASN 48 -4.109 29.513 -9.017 385 HD21 ASN 48 HD21 ASN 48 -4.645 30.497 -10.946 386 HD22 ASN 48 HD22 ASN 48 -6.262 31.055 -11.347 387 H VAL 49 H VAL 49 -7.595 27.046 -9.411 388 HA VAL 49 HA VAL 49 -6.685 26.375 -12.056 389 HB VAL 49 HB VAL 49 -5.545 24.559 -10.966 390 HG11 VAL 49 HG11 VAL 49 -8.153 23.796 -9.642 391 HG12 VAL 49 HG12 VAL 49 -6.651 22.842 -9.609 392 HG13 VAL 49 HG13 VAL 49 -6.701 24.424 -8.829 393 HG21 VAL 49 HG21 VAL 49 -6.412 22.590 -11.978 394 HG22 VAL 49 HG22 VAL 49 -8.041 23.254 -12.078 395 HG23 VAL 49 HG23 VAL 49 -6.731 23.943 -13.080 396 H ASP 50 H ASP 50 -8.511 25.103 -13.167 397 HA ASP 50 HA ASP 50 -11.193 26.067 -12.665 398 HB2 ASP 50 HB2 ASP 50 -10.071 25.348 -14.856 399 HB3 ASP 50 HB3 ASP 50 -10.242 23.685 -14.301 400 H GLY 51 H GLY 51 -12.913 23.962 -12.722 401 HA2 GLY 51 HA2 GLY 51 -13.388 23.217 -10.192 402 HA3 GLY 51 HA3 GLY 51 -13.948 22.280 -11.553 403 H THR 52 H THR 52 -10.728 21.767 -11.774 404 HA THR 52 HA THR 52 -10.609 19.124 -10.790 405 HB THR 52 HB THR 52 -8.417 21.220 -11.055 406 HG1 THR 52 HG1 THR 52 -8.114 20.199 -13.060 407 HG21 THR 52 HG21 THR 52 -8.266 18.184 -10.911 408 HG22 THR 52 HG22 THR 52 -7.633 19.333 -9.707 409 HG23 THR 52 HG23 THR 52 -6.908 19.278 -11.320 410 H THR 53 H THR 53 -9.084 22.016 -9.074 411 HA THR 53 HA THR 53 -8.680 20.476 -6.747 412 HB THR 53 HB THR 53 -7.446 22.535 -7.396 413 HG1 THR 53 HG1 THR 53 -7.193 21.701 -5.388 414 HG21 THR 53 HG21 THR 53 -9.473 24.055 -7.785 415 HG22 THR 53 HG22 THR 53 -8.196 24.721 -6.750 416 HG23 THR 53 HG23 THR 53 -9.679 24.092 -6.020 417 H TYR 54 H TYR 54 -11.366 22.596 -7.585 418 HA TYR 54 HA TYR 54 -12.896 22.612 -5.206 419 HB2 TYR 54 HB2 TYR 54 -13.742 22.358 -8.131 420 HB3 TYR 54 HB3 TYR 54 -14.854 22.616 -6.813 421 HD1 TYR 54 HD1 TYR 54 -12.022 24.212 -8.680 422 HD2 TYR 54 HD2 TYR 54 -15.156 24.748 -5.759 423 HE1 TYR 54 HE1 TYR 54 -11.678 26.664 -8.775 424 HE2 TYR 54 HE2 TYR 54 -14.806 27.218 -5.855 425 HH TYR 54 HH TYR 54 -12.339 28.714 -7.987 426 H LYS 55 H LYS 55 -13.150 20.290 -7.975 427 HA LYS 55 HA LYS 55 -14.833 18.551 -6.722 428 HB2 LYS 55 HB2 LYS 55 -14.489 18.845 -9.131 429 HB3 LYS 55 HB3 LYS 55 -12.926 18.122 -9.032 430 HG2 LYS 55 HG2 LYS 55 -14.403 16.206 -9.524 431 HG3 LYS 55 HG3 LYS 55 -14.388 16.135 -7.789 432 HD2 LYS 55 HD2 LYS 55 -16.321 17.986 -8.009 433 HD3 LYS 55 HD3 LYS 55 -16.496 17.296 -9.618 434 HE2 LYS 55 HE2 LYS 55 -16.702 14.998 -8.615 435 HE3 LYS 55 HE3 LYS 55 -16.632 15.718 -7.006 436 HZ1 LYS 55 HZ1 LYS 55 -18.931 15.351 -7.711 437 HZ2 LYS 55 HZ2 LYS 55 -18.733 16.276 -9.039 438 HZ3 LYS 55 HZ3 LYS 55 -18.677 16.957 -7.554 439 H LYS 56 H LYS 56 -11.248 18.259 -6.843 440 HA LYS 56 HA LYS 56 -10.961 15.898 -5.254 441 HB2 LYS 56 HB2 LYS 56 -9.236 18.314 -5.616 442 HB3 LYS 56 HB3 LYS 56 -8.883 17.133 -4.341 443 HG2 LYS 56 HG2 LYS 56 -7.690 16.242 -6.075 444 HG3 LYS 56 HG3 LYS 56 -9.212 15.368 -6.292 445 HD2 LYS 56 HD2 LYS 56 -9.893 16.916 -8.041 446 HD3 LYS 56 HD3 LYS 56 -8.376 17.843 -7.871 447 HE2 LYS 56 HE2 LYS 56 -8.494 14.868 -8.322 448 HE3 LYS 56 HE3 LYS 56 -8.580 15.992 -9.696 449 HZ1 LYS 56 HZ1 LYS 56 -6.306 15.773 -7.787 450 HZ2 LYS 56 HZ2 LYS 56 -6.371 16.825 -9.045 451 HZ3 LYS 56 HZ3 LYS 56 -6.311 15.213 -9.310 452 H LEU 57 H LEU 57 -11.301 19.259 -3.913 453 HA LEU 57 HA LEU 57 -11.343 18.043 -1.260 454 HB2 LEU 57 HB2 LEU 57 -11.120 20.002 -0.352 455 HB3 LEU 57 HB3 LEU 57 -10.085 20.029 -1.761 456 HG LEU 57 HG LEU 57 -12.051 21.367 -2.914 457 HD11 LEU 57 HD11 LEU 57 -13.201 22.906 -1.314 458 HD12 LEU 57 HD12 LEU 57 -12.615 21.917 0.037 459 HD13 LEU 57 HD13 LEU 57 -13.758 21.250 -1.146 460 HD21 LEU 57 HD21 LEU 57 -9.813 22.262 -2.451 461 HD22 LEU 57 HD22 LEU 57 -10.279 22.614 -0.772 462 HD23 LEU 57 HD23 LEU 57 -11.051 23.479 -2.121 463 H VAL 58 H VAL 58 -13.891 19.118 -3.421 464 HA VAL 58 HA VAL 58 -15.885 18.818 -1.299 465 HB VAL 58 HB VAL 58 -16.016 20.410 -3.282 466 HG11 VAL 58 HG11 VAL 58 -16.848 19.707 -5.355 467 HG12 VAL 58 HG12 VAL 58 -15.652 18.470 -4.938 468 HG13 VAL 58 HG13 VAL 58 -17.363 18.111 -4.738 469 HG21 VAL 58 HG21 VAL 58 -17.860 20.043 -1.686 470 HG22 VAL 58 HG22 VAL 58 -18.435 20.360 -3.332 471 HG23 VAL 58 HG23 VAL 58 -18.445 18.700 -2.706 472 H THR 59 H THR 59 -14.335 16.666 -3.614 473 HA THR 59 HA THR 59 -16.348 14.577 -3.352 474 HB THR 59 HB THR 59 -14.728 14.722 -5.262 475 HG1 THR 59 HG1 THR 59 -15.972 12.959 -5.010 476 HG21 THR 59 HG21 THR 59 -12.731 13.875 -3.168 477 HG22 THR 59 HG22 THR 59 -12.590 14.856 -4.593 478 HG23 THR 59 HG23 THR 59 -12.678 13.115 -4.777 479 H LEU 60 H LEU 60 -13.365 15.452 -1.695 480 HA LEU 60 HA LEU 60 -12.948 13.369 0.098 481 HB2 LEU 60 HB2 LEU 60 -12.631 16.300 0.329 482 HB3 LEU 60 HB3 LEU 60 -12.788 15.440 1.848 483 HG LEU 60 HG LEU 60 -10.516 15.750 1.325 484 HD11 LEU 60 HD11 LEU 60 -10.938 12.792 0.883 485 HD12 LEU 60 HD12 LEU 60 -11.201 13.593 2.452 486 HD13 LEU 60 HD13 LEU 60 -9.600 13.648 1.692 487 HD21 LEU 60 HD21 LEU 60 -10.980 14.271 -1.241 488 HD22 LEU 60 HD22 LEU 60 -9.378 14.639 -0.517 489 HD23 LEU 60 HD23 LEU 60 -10.453 15.954 -0.982 490 H TYR 61 H TYR 61 -15.269 16.010 0.714 491 HA TYR 61 HA TYR 61 -16.486 14.567 2.948 492 HB2 TYR 61 HB2 TYR 61 -17.551 16.391 3.507 493 HB3 TYR 61 HB3 TYR 61 -16.574 17.215 2.280 494 HD1 TYR 61 HD1 TYR 61 -19.908 15.865 3.162 495 HD2 TYR 61 HD2 TYR 61 -17.662 17.943 0.139 496 HE1 TYR 61 HE1 TYR 61 -22.020 16.508 2.062 497 HE2 TYR 61 HE2 TYR 61 -19.802 18.549 -0.995 498 HH TYR 61 HH TYR 61 -22.086 18.344 -1.010 499 H ASP 62 H ASP 62 -17.316 14.931 -0.436 500 HA ASP 62 HA ASP 62 -19.903 13.841 -0.470 501 HB2 ASP 62 HB2 ASP 62 -18.765 14.854 -2.460 502 HB3 ASP 62 HB3 ASP 62 -17.834 13.350 -2.619 503 H ARG 63 H ARG 63 -16.847 12.072 0.014 504 HA ARG 63 HA ARG 63 -18.674 9.734 0.534 505 HB2 ARG 63 HB2 ARG 63 -15.829 9.353 -0.411 506 HB3 ARG 63 HB3 ARG 63 -17.015 8.095 -0.017 507 HG2 ARG 63 HG2 ARG 63 -17.247 9.994 -2.349 508 HG3 ARG 63 HG3 ARG 63 -16.805 8.268 -2.346 509 HD2 ARG 63 HD2 ARG 63 -18.843 7.507 -2.149 510 HD3 ARG 63 HD3 ARG 63 -19.388 8.755 -1.050 511 HE ARG 63 HE ARG 63 -19.363 10.319 -3.106 512 HH11 ARG 63 HH11 ARG 63 -20.621 7.032 -3.215 513 HH12 ARG 63 HH12 ARG 63 -21.892 7.517 -4.304 514 HH21 ARG 63 HH21 ARG 63 -20.845 10.817 -4.372 515 HH22 ARG 63 HH22 ARG 63 -22.026 9.659 -4.996 516 H PHE 64 H PHE 64 -16.066 11.591 2.023 517 HA PHE 64 HA PHE 64 -15.730 9.764 4.198 518 HB2 PHE 64 HB2 PHE 64 -14.153 11.503 3.885 519 HB3 PHE 64 HB3 PHE 64 -15.422 12.732 3.891 520 HD1 PHE 64 HD1 PHE 64 -13.894 10.073 6.117 521 HD2 PHE 64 HD2 PHE 64 -15.908 13.867 5.901 522 HE1 PHE 64 HE1 PHE 64 -13.645 10.350 8.575 523 HE2 PHE 64 HE2 PHE 64 -15.676 14.148 8.352 524 HZ PHE 64 HZ PHE 64 -14.525 12.384 9.698 525 H ARG 65 H ARG 65 -18.008 12.576 3.873 526 HA ARG 65 HA ARG 65 -19.116 12.310 6.534 527 HB2 ARG 65 HB2 ARG 65 -19.835 13.811 3.969 528 HB3 ARG 65 HB3 ARG 65 -20.706 14.030 5.399 529 HG2 ARG 65 HG2 ARG 65 -17.831 14.741 4.985 530 HG3 ARG 65 HG3 ARG 65 -19.176 15.866 5.205 531 HD2 ARG 65 HD2 ARG 65 -18.127 13.964 7.277 532 HD3 ARG 65 HD3 ARG 65 -17.702 15.661 7.177 533 HE ARG 65 HE ARG 65 -20.071 16.237 7.643 534 HH11 ARG 65 HH21 ARG 65 -19.047 13.053 8.736 535 HH12 ARG 65 HH22 ARG 65 -19.838 13.267 10.276 536 HH21 ARG 65 HH11 ARG 65 -21.116 16.355 9.506 537 HH22 ARG 65 HH12 ARG 65 -21.182 14.973 10.589 538 H PHE 66 H PHE 66 -20.040 11.349 3.410 539 HA PHE 66 HA PHE 66 -22.567 10.076 4.244 540 HB2 PHE 66 HB2 PHE 66 -21.261 10.376 1.532 541 HB3 PHE 66 HB3 PHE 66 -22.789 9.562 1.795 542 HD1 PHE 66 HD1 PHE 66 -24.597 10.969 3.216 543 HD2 PHE 66 HD2 PHE 66 -21.366 12.649 0.911 544 HE1 PHE 66 HE1 PHE 66 -25.854 13.101 3.001 545 HE2 PHE 66 HE2 PHE 66 -22.649 14.749 0.639 546 HZ PHE 66 HZ PHE 66 -24.885 14.994 1.706 547 H GLU 67 H GLU 67 -19.753 8.670 2.441 548 HA GLU 67 HA GLU 67 -21.120 6.054 2.657 549 HB2 GLU 67 HB2 GLU 67 -19.017 7.171 0.717 550 HB3 GLU 67 HB3 GLU 67 -19.508 5.494 0.763 551 HG2 GLU 67 HG2 GLU 67 -21.304 7.882 0.238 552 HG3 GLU 67 HG3 GLU 67 -20.729 6.731 -0.959 553 H ASN 68 H ASN 68 -17.934 7.321 3.243 554 HA ASN 68 HA ASN 68 -16.656 4.728 3.490 555 HB2 ASN 68 HB2 ASN 68 -15.500 7.408 4.372 556 HB3 ASN 68 HB3 ASN 68 -14.631 5.916 3.962 557 HD21 ASN 68 HD22 ASN 68 -16.031 5.244 1.558 558 HD22 ASN 68 HD21 ASN 68 -15.220 6.319 0.436 559 H1 GLY 1 H1 GLY 1 -17.972 17.046 36.632 560 H2 GLY 1 H2 GLY 1 -17.293 15.623 36.185 561 H3 GLY 1 H3 GLY 1 -18.924 15.785 36.196 562 HA2 GLY 1 HA2 GLY 1 -18.108 15.866 33.932 563 HA3 GLY 1 HA3 GLY 1 -18.856 17.398 34.418 564 H SER 2 H SER 2 -16.387 16.305 32.680 565 HA SER 2 HA SER 2 -14.478 18.496 33.379 566 HB2 SER 2 HB2 SER 2 -13.735 15.584 32.884 567 HB3 SER 2 HB3 SER 2 -12.604 16.923 33.146 568 HG SER 2 HG SER 2 -12.989 15.720 35.066 569 H HIS 3 H HIS 3 -12.895 18.921 31.699 570 HA HIS 3 HA HIS 3 -12.284 19.478 29.592 571 HB2 HIS 3 HB2 HIS 3 -13.102 16.631 28.975 572 HB3 HIS 3 HB3 HIS 3 -11.946 17.589 28.066 573 HD1 HIS 3 HD1 HIS 3 -11.550 14.764 29.918 574 HD2 HIS 3 HD2 HIS 3 -10.195 18.687 30.613 575 HE1 HIS 3 HE1 HIS 3 -9.556 14.563 31.492 576 H MET 4 H MET 4 -15.002 20.293 30.098 577 HA MET 4 HA MET 4 -16.852 19.483 28.170 578 HB2 MET 4 HB2 MET 4 -16.649 22.178 29.579 579 HB3 MET 4 HB3 MET 4 -18.064 21.602 28.686 580 HG2 MET 4 HG2 MET 4 -18.242 19.657 30.214 581 HG3 MET 4 HG3 MET 4 -16.859 20.258 31.136 582 HE1 MET 4 HE1 MET 4 -19.794 20.841 33.631 583 HE2 MET 4 HE2 MET 4 -19.555 19.477 32.517 584 HE3 MET 4 HE3 MET 4 -18.168 20.163 33.400 585 H ARG 5 H ARG 5 -17.030 19.704 26.066 586 HA ARG 5 HA ARG 5 -14.964 20.905 24.559 587 HB2 ARG 5 HB2 ARG 5 -16.935 19.002 24.132 588 HB3 ARG 5 HB3 ARG 5 -17.464 20.281 23.082 589 HG2 ARG 5 HG2 ARG 5 -15.252 20.311 21.961 590 HG3 ARG 5 HG3 ARG 5 -14.644 19.138 23.003 591 HD2 ARG 5 HD2 ARG 5 -15.357 18.313 20.717 592 HD3 ARG 5 HD3 ARG 5 -15.561 17.342 22.160 593 HE ARG 5 HE ARG 5 -17.939 18.910 21.418 594 HH11 ARG 5 HH21 ARG 5 -16.293 15.855 20.856 595 HH12 ARG 5 HH22 ARG 5 -17.795 15.006 20.596 596 HH21 ARG 5 HH11 ARG 5 -19.809 17.750 21.030 597 HH22 ARG 5 HH12 ARG 5 -19.713 16.057 20.658 598 H MET 6 H MET 6 -14.884 22.563 23.080 599 HA MET 6 HA MET 6 -17.043 24.572 23.232 600 HB2 MET 6 HB2 MET 6 -14.073 25.055 22.895 601 HB3 MET 6 HB3 MET 6 -15.300 26.316 23.072 602 HG2 MET 6 HG2 MET 6 -14.571 24.268 25.189 603 HG3 MET 6 HG3 MET 6 -14.026 25.943 25.142 604 HE1 MET 6 HE1 MET 6 -14.777 26.354 27.617 605 HE2 MET 6 HE2 MET 6 -16.393 25.955 28.239 606 HE3 MET 6 HE3 MET 6 -15.302 24.658 27.707 607 H SER 7 H SER 7 -16.511 22.472 21.192 608 HA SER 7 HA SER 7 -16.243 22.054 19.110 609 HB2 SER 7 HB2 SER 7 -17.950 22.995 17.574 610 HB3 SER 7 HB3 SER 7 -18.590 22.497 19.151 611 HG SER 7 HG SER 7 -19.430 24.518 18.553 612 H LEU 8 H LEU 8 -16.639 25.508 18.122 613 HA LEU 8 HA LEU 8 -13.801 25.439 17.209 614 HB2 LEU 8 HB2 LEU 8 -15.932 26.366 15.262 615 HB3 LEU 8 HB3 LEU 8 -14.240 26.177 15.017 616 HG LEU 8 HG LEU 8 -15.846 23.702 15.755 617 HD11 LEU 8 HD11 LEU 8 -16.208 23.156 13.495 618 HD12 LEU 8 HD12 LEU 8 -15.514 24.711 12.936 619 HD13 LEU 8 HD13 LEU 8 -17.034 24.669 13.874 620 HD21 LEU 8 HD21 LEU 8 -13.995 22.680 14.437 621 HD22 LEU 8 HD22 LEU 8 -13.388 23.652 15.810 622 HD23 LEU 8 HD23 LEU 8 -13.338 24.321 14.177 623 H ILE 9 H ILE 9 -13.207 26.792 18.792 624 HA ILE 9 HA ILE 9 -14.410 29.340 19.308 625 HB ILE 9 HB ILE 9 -11.550 28.669 19.968 626 HG12 ILE 9 HG12 ILE 9 -13.877 27.336 21.393 627 HG13 ILE 9 HG13 ILE 9 -12.684 26.518 20.435 628 HG21 ILE 9 HG21 ILE 9 -12.627 30.841 20.664 629 HG22 ILE 9 HG22 ILE 9 -13.795 29.916 21.630 630 HG23 ILE 9 HG23 ILE 9 -12.062 29.897 22.027 631 HD11 ILE 9 HD11 ILE 9 -12.024 26.162 22.654 632 HD12 ILE 9 HD12 ILE 9 -10.895 27.350 21.984 633 HD13 ILE 9 HD13 ILE 9 -12.197 27.871 23.088 634 H GLY 10 H GLY 10 -11.927 28.207 17.161 635 HA2 GLY 10 HA2 GLY 10 -11.174 29.341 15.210 636 HA3 GLY 10 HA3 GLY 10 -11.501 30.894 15.944 637 H GLU 11 H GLU 11 -9.883 29.233 18.360 638 HA GLU 11 HA GLU 11 -7.177 29.367 17.141 639 HB2 GLU 11 HB2 GLU 11 -6.689 29.978 19.834 640 HB3 GLU 11 HB3 GLU 11 -6.370 30.913 18.394 641 HG2 GLU 11 HG2 GLU 11 -7.413 32.392 19.807 642 HG3 GLU 11 HG3 GLU 11 -8.636 32.005 18.611 643 H ARG 12 H ARG 12 -8.776 28.439 20.187 644 HA ARG 12 HA ARG 12 -8.766 26.543 21.410 645 HB2 ARG 12 HB2 ARG 12 -8.317 24.735 19.108 646 HB3 ARG 12 HB3 ARG 12 -9.253 24.591 20.573 647 HG2 ARG 12 HG2 ARG 12 -11.023 24.843 19.334 648 HG3 ARG 12 HG3 ARG 12 -10.709 26.551 19.471 649 HD2 ARG 12 HD2 ARG 12 -11.138 25.986 17.127 650 HD3 ARG 12 HD3 ARG 12 -9.473 26.511 17.293 651 HE ARG 12 HE ARG 12 -10.419 23.683 16.946 652 HH11 ARG 12 HH11 ARG 12 -7.763 25.947 16.573 653 HH12 ARG 12 HH12 ARG 12 -6.988 24.927 15.389 654 HH21 ARG 12 HH21 ARG 12 -9.151 22.330 15.642 655 HH22 ARG 12 HH22 ARG 12 -7.599 22.897 15.116 656 H PHE 13 H PHE 13 -6.371 27.876 21.249 657 HA PHE 13 HA PHE 13 -3.987 26.312 20.978 658 HB2 PHE 13 HB2 PHE 13 -4.758 28.668 22.752 659 HB3 PHE 13 HB3 PHE 13 -3.130 28.082 22.543 660 HD1 PHE 13 HD2 PHE 13 -4.077 27.680 19.280 661 HD2 PHE 13 HD1 PHE 13 -3.678 30.867 22.168 662 HE1 PHE 13 HE2 PHE 13 -3.706 29.305 17.450 663 HE2 PHE 13 HE1 PHE 13 -3.333 32.489 20.320 664 HZ PHE 13 HZ PHE 13 -3.337 31.706 17.959 665 H THR 14 H THR 14 -2.623 25.582 22.790 666 HA THR 14 HA THR 14 -3.428 23.484 24.146 667 HB THR 14 HB THR 14 -1.135 24.242 23.994 668 HG1 THR 14 HG1 THR 14 -1.519 22.569 25.381 669 HG21 THR 14 HG21 THR 14 -1.409 26.596 24.842 670 HG22 THR 14 HG22 THR 14 -0.081 25.690 25.582 671 HG23 THR 14 HG23 THR 14 -1.585 25.926 26.484 672 H GLU 15 H GLU 15 -3.846 26.672 25.836 673 HA GLU 15 HA GLU 15 -5.019 25.424 28.198 674 HB2 GLU 15 HB2 GLU 15 -5.057 28.308 27.225 675 HB3 GLU 15 HB3 GLU 15 -5.635 27.751 28.800 676 HG2 GLU 15 HG2 GLU 15 -3.344 26.856 29.293 677 HG3 GLU 15 HG3 GLU 15 -2.772 27.559 27.778 678 H GLU 16 H GLU 16 -6.311 26.629 25.217 679 HA GLU 16 HA GLU 16 -9.165 26.247 25.966 680 HB2 GLU 16 HB2 GLU 16 -7.995 27.355 23.388 681 HB3 GLU 16 HB3 GLU 16 -9.664 27.430 23.925 682 HG2 GLU 16 HG2 GLU 16 -7.298 28.937 25.094 683 HG3 GLU 16 HG3 GLU 16 -8.631 29.601 24.167 684 H GLU 17 H GLU 17 -6.727 24.351 24.845 685 HA GLU 17 HA GLU 17 -7.782 23.073 22.601 686 HB2 GLU 17 HB2 GLU 17 -5.433 23.087 23.461 687 HB3 GLU 17 HB3 GLU 17 -5.893 21.835 24.630 688 HG2 GLU 17 HG2 GLU 17 -6.440 20.313 22.728 689 HG3 GLU 17 HG3 GLU 17 -6.090 21.624 21.603 690 H GLN 18 H GLN 18 -8.741 22.460 25.793 691 HA GLN 18 HA GLN 18 -9.631 20.064 26.143 692 HB2 GLN 18 HB2 GLN 18 -11.427 20.596 27.476 693 HB3 GLN 18 HB3 GLN 18 -10.380 21.996 27.621 694 HG2 GLN 18 HG2 GLN 18 -12.897 21.807 25.923 695 HG3 GLN 18 HG3 GLN 18 -12.696 22.559 27.524 696 HE21 GLN 18 HE22 GLN 18 -12.580 23.207 24.192 697 HE22 GLN 18 HE21 GLN 18 -11.475 24.590 24.236 698 H LYS 19 H LYS 19 -11.079 22.001 23.682 699 HA LYS 19 HA LYS 19 -13.089 20.290 22.667 700 HB2 LYS 19 HB2 LYS 19 -12.844 22.515 21.842 701 HB3 LYS 19 HB3 LYS 19 -11.172 22.301 21.571 702 HG2 LYS 19 HG2 LYS 19 -12.760 22.499 19.613 703 HG3 LYS 19 HG3 LYS 19 -11.328 21.463 19.606 704 HD2 LYS 19 HD2 LYS 19 -12.352 19.579 19.399 705 HD3 LYS 19 HD3 LYS 19 -13.749 19.996 20.338 706 HE2 LYS 19 HE2 LYS 19 -14.171 19.461 17.875 707 HE3 LYS 19 HE3 LYS 19 -14.794 21.021 18.387 708 HZ1 LYS 19 HZ1 LYS 19 -12.146 20.772 17.054 709 HZ2 LYS 19 HZ2 LYS 19 -13.044 22.132 17.361 710 HZ3 LYS 19 HZ3 LYS 19 -13.542 21.066 16.241 711 H LEU 20 H LEU 20 -9.727 20.428 21.633 712 HA LEU 20 HA LEU 20 -9.921 18.208 19.785 713 HB2 LEU 20 HB2 LEU 20 -7.511 19.771 20.854 714 HB3 LEU 20 HB3 LEU 20 -7.490 18.740 19.477 715 HG LEU 20 HG LEU 20 -7.465 20.716 18.483 716 HD11 LEU 20 HD11 LEU 20 -10.402 19.909 18.526 717 HD12 LEU 20 HD12 LEU 20 -9.139 19.431 17.403 718 HD13 LEU 20 HD13 LEU 20 -9.695 21.120 17.446 719 HD21 LEU 20 HD21 LEU 20 -9.316 21.767 20.639 720 HD22 LEU 20 HD22 LEU 20 -8.952 22.619 19.134 721 HD23 LEU 20 HD23 LEU 20 -7.653 22.178 20.255 722 H LEU 21 H LEU 21 -8.686 18.869 22.920 723 HA LEU 21 HA LEU 21 -7.529 16.357 23.716 724 HB2 LEU 21 HB2 LEU 21 -6.969 17.854 25.331 725 HB3 LEU 21 HB3 LEU 21 -8.362 18.857 25.024 726 HG LEU 21 HG LEU 21 -9.785 17.261 26.304 727 HD11 LEU 21 HD11 LEU 21 -8.741 15.623 27.816 728 HD12 LEU 21 HD12 LEU 21 -7.113 16.183 27.375 729 HD13 LEU 21 HD13 LEU 21 -8.070 15.265 26.222 730 HD21 LEU 21 HD21 LEU 21 -8.392 17.804 28.584 731 HD22 LEU 21 HD22 LEU 21 -9.761 18.583 27.808 732 HD23 LEU 21 HD23 LEU 21 -8.083 19.159 27.469 733 H LEU 22 H LEU 22 -11.033 17.596 23.858 734 HA LEU 22 HA LEU 22 -11.580 15.367 25.545 735 HB2 LEU 22 HB2 LEU 22 -13.086 17.210 25.686 736 HB3 LEU 22 HB3 LEU 22 -13.481 17.140 23.964 737 HG LEU 22 HG LEU 22 -14.611 14.941 24.325 738 HD11 LEU 22 HD11 LEU 22 -13.368 14.135 26.314 739 HD12 LEU 22 HD12 LEU 22 -15.107 14.165 26.607 740 HD13 LEU 22 HD13 LEU 22 -14.081 15.447 27.281 741 HD21 LEU 22 HD21 LEU 22 -15.933 16.977 24.423 742 HD22 LEU 22 HD22 LEU 22 -15.605 17.140 26.163 743 HD23 LEU 22 HD23 LEU 22 -16.557 15.770 25.551 744 H ASN 23 H ASN 23 -11.952 16.194 22.189 745 HA ASN 23 HA ASN 23 -13.148 13.979 20.950 746 HB2 ASN 23 HB2 ASN 23 -11.363 16.330 20.160 747 HB3 ASN 23 HB3 ASN 23 -11.783 15.186 19.005 748 HD21 ASN 23 HD21 ASN 23 -12.532 17.802 18.895 749 HD22 ASN 23 HD22 ASN 23 -14.272 17.927 19.097 750 H ILE 24 H ILE 24 -9.625 14.437 21.624 751 HA ILE 24 HA ILE 24 -9.081 11.820 20.343 752 HB ILE 24 HB ILE 24 -6.841 11.972 21.077 753 HG12 ILE 24 HG12 ILE 24 -7.676 14.372 22.691 754 HG13 ILE 24 HG13 ILE 24 -7.051 12.865 23.288 755 HG21 ILE 24 HG21 ILE 24 -7.552 13.116 19.015 756 HG22 ILE 24 HG22 ILE 24 -7.688 14.635 19.906 757 HG23 ILE 24 HG23 ILE 24 -6.115 13.839 19.738 758 HD11 ILE 24 HD11 ILE 24 -5.496 14.965 21.726 759 HD12 ILE 24 HD12 ILE 24 -5.308 14.518 23.428 760 HD13 ILE 24 HD13 ILE 24 -4.855 13.358 22.161 761 H LEU 25 H LEU 25 -9.880 12.937 23.562 762 HA LEU 25 HA LEU 25 -8.917 10.621 24.921 763 HB2 LEU 25 HB2 LEU 25 -9.101 12.883 25.881 764 HB3 LEU 25 HB3 LEU 25 -10.858 12.800 25.768 765 HG LEU 25 HG LEU 25 -10.861 10.893 27.391 766 HD11 LEU 25 HD11 LEU 25 -8.783 10.510 28.727 767 HD12 LEU 25 HD12 LEU 25 -7.883 11.536 27.585 768 HD13 LEU 25 HD13 LEU 25 -8.597 10.000 27.046 769 HD21 LEU 25 HD21 LEU 25 -10.362 12.254 29.357 770 HD22 LEU 25 HD22 LEU 25 -11.183 13.228 28.121 771 HD23 LEU 25 HD23 LEU 25 -9.427 13.394 28.362 772 H ILE 26 H ILE 26 -12.059 11.489 23.547 773 HA ILE 26 HA ILE 26 -13.456 9.122 24.547 774 HB ILE 26 HB ILE 26 -15.330 9.856 23.227 775 HG12 ILE 26 HG12 ILE 26 -13.687 12.182 22.178 776 HG13 ILE 26 HG13 ILE 26 -13.933 10.710 21.245 777 HG21 ILE 26 HG21 ILE 26 -14.940 10.833 25.438 778 HG22 ILE 26 HG22 ILE 26 -14.076 12.192 24.705 779 HG23 ILE 26 HG23 ILE 26 -15.798 11.943 24.365 780 HD11 ILE 26 HD11 ILE 26 -16.408 11.041 21.399 781 HD12 ILE 26 HD12 ILE 26 -16.113 12.612 22.187 782 HD13 ILE 26 HD13 ILE 26 -15.553 12.335 20.528 783 H ASN 27 H ASN 27 -14.887 8.212 22.467 784 HA ASN 27 HA ASN 27 -13.602 5.954 21.699 785 HB2 ASN 27 HB2 ASN 27 -15.773 7.329 20.046 786 HB3 ASN 27 HB3 ASN 27 -15.459 5.603 20.159 787 HD21 ASN 27 HD21 ASN 27 -17.152 8.280 21.549 788 HD22 ASN 27 HD22 ASN 27 -17.794 7.418 22.929 789 H HIS 28 H HIS 28 -13.788 8.871 19.603 790 HA HIS 28 HA HIS 28 -11.360 8.157 18.193 791 HB2 HIS 28 HB2 HIS 28 -12.362 8.107 15.940 792 HB3 HIS 28 HB3 HIS 28 -12.950 6.778 16.922 793 HD1 HIS 28 HD1 HIS 28 -14.209 10.205 15.586 794 HD2 HIS 28 HD2 HIS 28 -15.567 6.581 17.255 795 HE1 HIS 28 HE1 HIS 28 -16.749 10.224 15.369 796 H GLU 29 H GLU 29 -10.652 9.842 16.706 797 HA GLU 29 HA GLU 29 -11.017 12.520 17.559 798 HB2 GLU 29 HB2 GLU 29 -9.048 11.761 16.337 799 HB3 GLU 29 HB3 GLU 29 -10.025 11.379 14.923 800 HG2 GLU 29 HG2 GLU 29 -8.794 13.415 14.541 801 HG3 GLU 29 HG3 GLU 29 -10.508 13.771 14.565 802 H TYR 30 H TYR 30 -12.067 14.267 16.672 803 HA TYR 30 HA TYR 30 -14.546 13.733 15.094 804 HB2 TYR 30 HB2 TYR 30 -14.964 13.222 17.493 805 HB3 TYR 30 HB3 TYR 30 -14.387 14.841 17.916 806 HD1 TYR 30 HD1 TYR 30 -16.791 13.330 15.402 807 HD2 TYR 30 HD2 TYR 30 -16.087 16.386 18.360 808 HE1 TYR 30 HE1 TYR 30 -19.012 14.310 14.919 809 HE2 TYR 30 HE2 TYR 30 -18.323 17.321 17.945 810 HH TYR 30 HH TYR 30 -20.306 17.117 16.761 811 H ALA 31 H ALA 31 -12.506 16.261 16.673 812 HA ALA 31 HA ALA 31 -13.307 18.566 15.679 813 HB1 ALA 31 HB1 ALA 31 -11.310 18.185 17.015 814 HB2 ALA 31 HB2 ALA 31 -10.481 17.461 15.614 815 HB3 ALA 31 HB3 ALA 31 -10.919 19.171 15.569 816 H ILE 32 H ILE 32 -11.235 16.267 13.753 817 HA ILE 32 HA ILE 32 -11.617 17.821 11.392 818 HB ILE 32 HB ILE 32 -10.421 15.097 11.856 819 HG12 ILE 32 HG12 ILE 32 -9.147 17.067 12.694 820 HG13 ILE 32 HG13 ILE 32 -8.329 16.196 11.408 821 HG21 ILE 32 HG21 ILE 32 -11.295 14.961 9.634 822 HG22 ILE 32 HG22 ILE 32 -10.749 16.599 9.231 823 HG23 ILE 32 HG23 ILE 32 -9.536 15.347 9.527 824 HD11 ILE 32 HD11 ILE 32 -8.906 17.949 9.774 825 HD12 ILE 32 HD12 ILE 32 -9.815 18.831 11.021 826 HD13 ILE 32 HD13 ILE 32 -8.083 18.649 11.168 827 H GLU 33 H GLU 33 -13.502 15.116 12.632 828 HA GLU 33 HA GLU 33 -15.024 14.817 10.259 829 HB2 GLU 33 HB2 GLU 33 -15.287 13.357 12.309 830 HB3 GLU 33 HB3 GLU 33 -16.222 14.667 13.064 831 HG2 GLU 33 HG2 GLU 33 -17.781 14.614 11.103 832 HG3 GLU 33 HG3 GLU 33 -16.904 13.221 10.473 833 H LEU 34 H LEU 34 -15.264 17.175 12.916 834 HA LEU 34 HA LEU 34 -17.341 18.811 11.866 835 HB2 LEU 34 HB2 LEU 34 -14.918 19.983 13.303 836 HB3 LEU 34 HB3 LEU 34 -16.505 20.656 13.098 837 HG LEU 34 HG LEU 34 -15.529 18.573 15.025 838 HD11 LEU 34 HD11 LEU 34 -15.553 21.040 15.546 839 HD12 LEU 34 HD12 LEU 34 -16.560 20.060 16.641 840 HD13 LEU 34 HD13 LEU 34 -17.310 21.019 15.350 841 HD21 LEU 34 HD21 LEU 34 -18.383 18.992 14.129 842 HD22 LEU 34 HD22 LEU 34 -17.941 18.375 15.736 843 HD23 LEU 34 HD23 LEU 34 -17.449 17.457 14.311 844 H LEU 35 H LEU 35 -13.774 19.087 11.323 845 HA LEU 35 HA LEU 35 -13.701 21.226 9.629 846 HB2 LEU 35 HB2 LEU 35 -11.728 19.936 10.398 847 HB3 LEU 35 HB3 LEU 35 -12.121 18.634 9.337 848 HG LEU 35 HG LEU 35 -10.189 20.117 8.696 849 HD11 LEU 35 HD11 LEU 35 -10.456 19.706 6.403 850 HD12 LEU 35 HD12 LEU 35 -12.219 19.676 6.502 851 HD13 LEU 35 HD13 LEU 35 -11.251 18.383 7.256 852 HD21 LEU 35 HD21 LEU 35 -10.787 22.353 8.662 853 HD22 LEU 35 HD22 LEU 35 -12.403 22.045 8.022 854 HD23 LEU 35 HD23 LEU 35 -10.981 21.929 6.981 855 H SER 36 H SER 36 -14.151 17.820 8.383 856 HA SER 36 HA SER 36 -14.551 18.574 5.694 857 HB2 SER 36 HB2 SER 36 -14.009 16.286 6.542 858 HB3 SER 36 HB3 SER 36 -15.653 16.158 7.161 859 HG SER 36 HG SER 36 -14.807 16.429 4.453 860 H SER 37 H SER 37 -16.940 18.054 8.314 861 HA SER 37 HA SER 37 -19.275 18.398 6.755 862 HB2 SER 37 HB2 SER 37 -18.798 17.818 9.360 863 HB3 SER 37 HB3 SER 37 -19.410 19.469 9.523 864 HG SER 37 HG SER 37 -21.290 18.838 8.470 865 H GLU 38 H GLU 38 -17.205 20.610 8.446 866 HA GLU 38 HA GLU 38 -18.739 23.050 8.138 867 HB2 GLU 38 HB2 GLU 38 -15.963 22.357 9.152 868 HB3 GLU 38 HB3 GLU 38 -16.447 24.005 9.035 869 HG2 GLU 38 HG2 GLU 38 -18.003 21.927 10.615 870 HG3 GLU 38 HG3 GLU 38 -16.804 23.023 11.283 871 H ILE 39 H ILE 39 -15.729 21.929 6.470 872 HA ILE 39 HA ILE 39 -15.513 24.279 4.813 873 HB ILE 39 HB ILE 39 -14.162 22.892 3.322 874 HG12 ILE 39 HG12 ILE 39 -13.450 20.614 4.728 875 HG13 ILE 39 HG13 ILE 39 -15.196 20.640 4.896 876 HG21 ILE 39 HG21 ILE 39 -13.163 24.131 5.256 877 HG22 ILE 39 HG22 ILE 39 -13.476 22.704 6.263 878 HG23 ILE 39 HG23 ILE 39 -12.285 22.627 4.948 879 HD11 ILE 39 HD11 ILE 39 -13.615 20.671 2.298 880 HD12 ILE 39 HD12 ILE 39 -14.551 19.317 2.968 881 HD13 ILE 39 HD13 ILE 39 -15.386 20.770 2.387 882 H ASN 40 H ASN 40 -17.150 21.120 4.349 883 HA ASN 40 HA ASN 40 -18.153 22.036 1.783 884 HB2 ASN 40 HB2 ASN 40 -19.201 20.111 1.463 885 HB3 ASN 40 HB3 ASN 40 -17.954 19.597 2.592 886 HD21 ASN 40 HD21 ASN 40 -18.620 18.788 4.572 887 HD22 ASN 40 HD22 ASN 40 -20.317 18.581 4.997 888 H ASP 41 H ASP 41 -19.427 22.624 5.043 889 HA ASP 41 HA ASP 41 -22.016 23.571 4.139 890 HB2 ASP 41 HB2 ASP 41 -21.222 22.989 6.535 891 HB3 ASP 41 HB3 ASP 41 -20.518 24.602 6.564 892 H ILE 42 H ILE 42 -18.784 24.993 4.252 893 HA ILE 42 HA ILE 42 -19.792 27.666 3.408 894 HB ILE 42 HB ILE 42 -17.026 26.555 3.927 895 HG12 ILE 42 HG12 ILE 42 -17.003 28.557 5.474 896 HG13 ILE 42 HG13 ILE 42 -18.668 28.883 5.047 897 HG21 ILE 42 HG21 ILE 42 -16.112 28.805 3.372 898 HG22 ILE 42 HG22 ILE 42 -16.717 27.971 1.948 899 HG23 ILE 42 HG23 ILE 42 -17.687 29.267 2.690 900 HD11 ILE 42 HD11 ILE 42 -17.576 26.438 6.476 901 HD12 ILE 42 HD12 ILE 42 -18.561 27.722 7.199 902 HD13 ILE 42 HD13 ILE 42 -19.285 26.610 6.047 903 H GLU 43 H GLU 43 -18.028 25.007 1.886 904 HA GLU 43 HA GLU 43 -17.649 26.218 -0.641 905 HB2 GLU 43 HB2 GLU 43 -16.578 24.118 0.399 906 HB3 GLU 43 HB3 GLU 43 -17.957 23.222 -0.174 907 HG2 GLU 43 HG2 GLU 43 -16.065 23.012 -1.715 908 HG3 GLU 43 HG3 GLU 43 -17.444 23.772 -2.496 909 H THR 44 H THR 44 -20.200 23.983 0.368 910 HA THR 44 HA THR 44 -21.784 24.683 -2.088 911 HB THR 44 HB THR 44 -20.874 22.483 -2.374 912 HG1 THR 44 HG1 THR 44 -22.913 22.796 -3.190 913 HG21 THR 44 HG21 THR 44 -20.524 21.661 -0.143 914 HG22 THR 44 HG22 THR 44 -21.641 20.577 -0.972 915 HG23 THR 44 HG23 THR 44 -22.264 21.733 0.225 916 H GLY 45 H GLY 45 -22.057 23.879 1.422 917 HA2 GLY 45 HA2 GLY 45 -24.861 24.380 1.597 918 HA3 GLY 45 HA3 GLY 45 -23.694 24.601 2.901 919 H THR 46 H THR 46 -22.251 26.627 1.125 920 HA THR 46 HA THR 46 -22.090 28.801 0.747 921 HB THR 46 HB THR 46 -25.022 28.996 0.050 922 HG1 THR 46 HG1 THR 46 -24.128 27.110 -0.916 923 HG21 THR 46 HG21 THR 46 -23.623 31.062 -0.158 924 HG22 THR 46 HG22 THR 46 -24.105 30.448 -1.746 925 HG23 THR 46 HG23 THR 46 -22.456 30.157 -1.143 926 H LYS 47 H LYS 47 -22.190 28.263 3.338 927 HA LYS 47 HA LYS 47 -23.616 30.269 4.881 928 HB2 LYS 47 HB2 LYS 47 -20.857 29.071 5.345 929 HB3 LYS 47 HB3 LYS 47 -21.817 29.927 6.534 930 HG2 LYS 47 HG2 LYS 47 -22.565 27.273 5.269 931 HG3 LYS 47 HG3 LYS 47 -21.770 27.445 6.803 932 HD2 LYS 47 HD2 LYS 47 -24.500 28.669 6.214 933 HD3 LYS 47 HD3 LYS 47 -24.330 27.007 6.700 934 HE2 LYS 47 HE2 LYS 47 -23.421 29.386 8.376 935 HE3 LYS 47 HE3 LYS 47 -24.891 28.430 8.601 936 HZ1 LYS 47 HZ1 LYS 47 -23.240 26.449 8.719 937 HZ2 LYS 47 HZ2 LYS 47 -23.396 27.417 10.051 938 HZ3 LYS 47 HZ3 LYS 47 -22.112 27.566 9.051 939 H ASN 48 H ASN 48 -22.896 32.351 5.548 940 HA ASN 48 HA ASN 48 -20.639 33.616 4.094 941 HB2 ASN 48 HB2 ASN 48 -23.508 34.657 4.056 942 HB3 ASN 48 HB3 ASN 48 -22.099 35.576 3.544 943 HD21 ASN 48 HD21 ASN 48 -24.518 33.400 2.480 944 HD22 ASN 48 HD22 ASN 48 -23.804 33.081 0.911 945 H VAL 49 H VAL 49 -19.452 34.743 5.445 946 HA VAL 49 HA VAL 49 -20.418 36.578 7.423 947 HB VAL 49 HB VAL 49 -20.756 34.590 8.768 948 HG11 VAL 49 HG11 VAL 49 -17.843 33.905 8.325 949 HG12 VAL 49 HG12 VAL 49 -18.955 33.085 9.446 950 HG13 VAL 49 HG13 VAL 49 -19.240 32.999 7.705 951 HG21 VAL 49 HG21 VAL 49 -19.857 36.597 9.942 952 HG22 VAL 49 HG22 VAL 49 -19.515 35.052 10.743 953 HG23 VAL 49 HG23 VAL 49 -18.231 35.869 9.846 954 H ASP 50 H ASP 50 -18.508 37.606 8.547 955 HA ASP 50 HA ASP 50 -16.200 38.184 6.903 956 HB2 ASP 50 HB2 ASP 50 -17.413 39.632 8.638 957 HB3 ASP 50 HB3 ASP 50 -16.649 38.638 9.876 958 H GLY 51 H GLY 51 -13.963 38.030 8.458 959 HA2 GLY 51 HA2 GLY 51 -12.824 35.645 8.058 960 HA3 GLY 51 HA3 GLY 51 -12.299 36.721 9.330 961 H THR 52 H THR 52 -15.202 35.863 10.519 962 HA THR 52 HA THR 52 -14.356 34.073 12.529 963 HB THR 52 HB THR 52 -17.085 34.383 11.212 964 HG1 THR 52 HG1 THR 52 -17.432 35.784 12.967 965 HG21 THR 52 HG21 THR 52 -17.954 33.571 13.385 966 HG22 THR 52 HG22 THR 52 -16.276 33.239 13.914 967 HG23 THR 52 HG23 THR 52 -16.992 32.340 12.555 968 H THR 53 H THR 53 -16.288 33.099 9.520 969 HA THR 53 HA THR 53 -15.792 30.378 10.066 970 HB THR 53 HB THR 53 -17.656 31.261 8.697 971 HG1 THR 53 HG1 THR 53 -17.257 29.118 8.710 972 HG21 THR 53 HG21 THR 53 -16.279 32.715 7.104 973 HG22 THR 53 HG22 THR 53 -17.450 31.623 6.341 974 HG23 THR 53 HG23 THR 53 -15.731 31.207 6.336 975 H TYR 54 H TYR 54 -14.046 32.574 7.870 976 HA TYR 54 HA TYR 54 -12.152 30.876 6.692 977 HB2 TYR 54 HB2 TYR 54 -11.780 33.632 7.955 978 HB3 TYR 54 HB3 TYR 54 -10.556 32.819 7.018 979 HD1 TYR 54 HD1 TYR 54 -14.028 34.251 6.764 980 HD2 TYR 54 HD2 TYR 54 -10.555 32.800 4.651 981 HE1 TYR 54 HE1 TYR 54 -14.962 35.131 4.635 982 HE2 TYR 54 HE2 TYR 54 -11.493 33.684 2.514 983 HH TYR 54 HH TYR 54 -13.233 34.791 1.510 984 H LYS 55 H LYS 55 -11.798 32.589 9.851 985 HA LYS 55 HA LYS 55 -9.527 31.312 10.643 986 HB2 LYS 55 HB2 LYS 55 -10.372 33.479 11.406 987 HB3 LYS 55 HB3 LYS 55 -11.675 32.727 12.250 988 HG2 LYS 55 HG2 LYS 55 -9.904 32.882 13.956 989 HG3 LYS 55 HG3 LYS 55 -9.605 31.284 13.343 990 HD2 LYS 55 HD2 LYS 55 -8.224 32.635 11.455 991 HD3 LYS 55 HD3 LYS 55 -8.146 33.852 12.717 992 HE2 LYS 55 HE2 LYS 55 -7.259 32.131 14.329 993 HE3 LYS 55 HE3 LYS 55 -7.235 30.952 13.015 994 HZ1 LYS 55 HZ1 LYS 55 -5.650 32.409 11.839 995 HZ2 LYS 55 HZ2 LYS 55 -5.057 31.997 13.304 996 HZ3 LYS 55 HZ3 LYS 55 -5.675 33.487 13.067 997 H LYS 56 H LYS 56 -12.881 30.329 11.529 998 HA LYS 56 HA LYS 56 -12.243 27.966 13.035 999 HB2 LYS 56 HB2 LYS 56 -14.576 28.671 11.310 1000 HB3 LYS 56 HB3 LYS 56 -14.342 27.022 11.913 1001 HG2 LYS 56 HG2 LYS 56 -15.546 27.888 13.640 1002 HG3 LYS 56 HG3 LYS 56 -13.934 28.271 14.238 1003 HD2 LYS 56 HD2 LYS 56 -14.092 30.538 13.477 1004 HD3 LYS 56 HD3 LYS 56 -15.682 30.265 12.719 1005 HE2 LYS 56 HE2 LYS 56 -15.039 29.744 15.619 1006 HE3 LYS 56 HE3 LYS 56 -15.584 31.338 15.059 1007 HZ1 LYS 56 HZ1 LYS 56 -17.661 30.266 14.312 1008 HZ2 LYS 56 HZ2 LYS 56 -17.431 30.021 15.911 1009 HZ3 LYS 56 HZ3 LYS 56 -17.144 28.812 14.870 1010 H LEU 57 H LEU 57 -12.509 28.123 9.420 1011 HA LEU 57 HA LEU 57 -11.869 25.291 9.197 1012 HB2 LEU 57 HB2 LEU 57 -11.759 27.368 7.062 1013 HB3 LEU 57 HB3 LEU 57 -11.925 25.644 6.813 1014 HG LEU 57 HG LEU 57 -14.047 27.462 8.036 1015 HD11 LEU 57 HD11 LEU 57 -13.742 27.916 5.672 1016 HD12 LEU 57 HD12 LEU 57 -15.273 27.081 5.959 1017 HD13 LEU 57 HD13 LEU 57 -13.895 26.193 5.287 1018 HD21 LEU 57 HD21 LEU 57 -15.552 25.575 7.781 1019 HD22 LEU 57 HD22 LEU 57 -14.273 25.262 8.967 1020 HD23 LEU 57 HD23 LEU 57 -14.184 24.529 7.354 1021 H VAL 58 H VAL 58 -9.905 28.275 8.929 1022 HA VAL 58 HA VAL 58 -7.560 26.739 8.125 1023 HB VAL 58 HB VAL 58 -8.117 29.086 7.411 1024 HG11 VAL 58 HG11 VAL 58 -8.455 29.889 9.805 1025 HG12 VAL 58 HG12 VAL 58 -6.702 30.001 9.938 1026 HG13 VAL 58 HG13 VAL 58 -7.580 30.963 8.712 1027 HG21 VAL 58 HG21 VAL 58 -5.802 29.764 7.198 1028 HG22 VAL 58 HG22 VAL 58 -5.322 28.647 8.491 1029 HG23 VAL 58 HG23 VAL 58 -5.950 28.017 6.943 1030 H THR 59 H THR 59 -8.915 27.702 11.212 1031 HA THR 59 HA THR 59 -6.427 27.268 12.697 1032 HB THR 59 HB THR 59 -8.329 28.703 13.452 1033 HG1 THR 59 HG1 THR 59 -7.611 28.570 15.344 1034 HG21 THR 59 HG21 THR 59 -9.882 27.434 15.089 1035 HG22 THR 59 HG22 THR 59 -9.593 26.020 14.048 1036 HG23 THR 59 HG23 THR 59 -10.250 27.491 13.372 1037 H LEU 60 H LEU 60 -9.196 25.329 11.760 1038 HA LEU 60 HA LEU 60 -8.857 22.882 13.055 1039 HB2 LEU 60 HB2 LEU 60 -9.705 23.603 10.304 1040 HB3 LEU 60 HB3 LEU 60 -9.209 21.947 10.556 1041 HG LEU 60 HG LEU 60 -11.490 22.013 10.724 1042 HD11 LEU 60 HD11 LEU 60 -10.345 20.580 12.440 1043 HD12 LEU 60 HD12 LEU 60 -12.047 21.006 12.698 1044 HD13 LEU 60 HD13 LEU 60 -10.775 21.835 13.635 1045 HD21 LEU 60 HD21 LEU 60 -11.380 24.156 12.787 1046 HD22 LEU 60 HD22 LEU 60 -12.835 23.223 12.295 1047 HD23 LEU 60 HD23 LEU 60 -12.016 24.222 11.115 1048 H TYR 61 H TYR 61 -7.141 23.773 10.049 1049 HA TYR 61 HA TYR 61 -5.289 21.518 10.312 1050 HB2 TYR 61 HB2 TYR 61 -4.659 21.845 8.230 1051 HB3 TYR 61 HB3 TYR 61 -5.975 23.009 8.121 1052 HD1 TYR 61 HD2 TYR 61 -5.459 25.475 8.196 1053 HD2 TYR 61 HD1 TYR 61 -2.320 22.542 8.280 1054 HE1 TYR 61 HE2 TYR 61 -3.760 27.247 7.751 1055 HE2 TYR 61 HE1 TYR 61 -0.649 24.286 7.782 1056 HH TYR 61 HH TYR 61 -1.540 27.740 7.459 1057 H ASP 62 H ASP 62 -5.139 24.909 11.108 1058 HA ASP 62 HA ASP 62 -2.382 25.147 11.685 1059 HB2 ASP 62 HB2 ASP 62 -4.014 27.054 11.581 1060 HB3 ASP 62 HB3 ASP 62 -4.542 26.592 13.210 1061 H ARG 63 H ARG 63 -4.841 23.451 13.582 1062 HA ARG 63 HA ARG 63 -2.522 22.650 15.355 1063 HB2 ARG 63 HB2 ARG 63 -5.226 23.435 16.088 1064 HB3 ARG 63 HB3 ARG 63 -4.861 21.865 16.751 1065 HG2 ARG 63 HG2 ARG 63 -3.169 22.540 18.110 1066 HG3 ARG 63 HG3 ARG 63 -2.624 23.831 17.063 1067 HD2 ARG 63 HD2 ARG 63 -5.089 23.828 18.781 1068 HD3 ARG 63 HD3 ARG 63 -3.589 24.695 19.160 1069 HE ARG 63 HE ARG 63 -5.711 25.789 17.737 1070 HH11 ARG 63 HH11 ARG 63 -2.223 25.708 17.114 1071 HH12 ARG 63 HH12 ARG 63 -2.432 26.900 15.834 1072 HH21 ARG 63 HH21 ARG 63 -5.733 27.263 16.023 1073 HH22 ARG 63 HH22 ARG 63 -4.171 27.698 15.329 1074 H PHE 64 H PHE 64 -5.154 21.244 13.481 1075 HA PHE 64 HA PHE 64 -4.561 18.549 14.242 1076 HB2 PHE 64 HB2 PHE 64 -6.584 18.998 13.118 1077 HB3 PHE 64 HB3 PHE 64 -5.743 19.788 11.783 1078 HD1 PHE 64 HD2 PHE 64 -5.978 16.422 13.521 1079 HD2 PHE 64 HD1 PHE 64 -5.262 18.523 9.841 1080 HE1 PHE 64 HE2 PHE 64 -5.822 14.259 12.311 1081 HE2 PHE 64 HE1 PHE 64 -5.081 16.368 8.623 1082 HZ PHE 64 HZ PHE 64 -5.378 14.222 9.865 1083 H ARG 65 H ARG 65 -3.255 20.365 11.339 1084 HA ARG 65 HA ARG 65 -1.749 18.104 10.389 1085 HB2 ARG 65 HB2 ARG 65 -1.884 21.106 9.840 1086 HB3 ARG 65 HB3 ARG 65 -0.762 20.152 8.994 1087 HG2 ARG 65 HG2 ARG 65 -3.728 19.740 8.935 1088 HG3 ARG 65 HG3 ARG 65 -2.800 20.521 7.657 1089 HD2 ARG 65 HD2 ARG 65 -2.328 17.669 8.497 1090 HD3 ARG 65 HD3 ARG 65 -3.447 18.112 7.221 1091 HE ARG 65 HE ARG 65 -1.667 18.795 5.820 1092 HH11 ARG 65 HH11 ARG 65 -0.235 17.515 8.786 1093 HH12 ARG 65 HH12 ARG 65 1.248 17.164 7.957 1094 HH21 ARG 65 HH21 ARG 65 0.148 18.300 4.901 1095 HH22 ARG 65 HH22 ARG 65 1.488 17.631 5.810 1096 H PHE 66 H PHE 66 -1.073 20.787 12.273 1097 HA PHE 66 HA PHE 66 1.829 20.306 12.571 1098 HB2 PHE 66 HB2 PHE 66 0.000 22.436 13.707 1099 HB3 PHE 66 HB3 PHE 66 1.707 22.334 14.081 1100 HD1 PHE 66 HD1 PHE 66 3.344 22.161 11.960 1101 HD2 PHE 66 HD2 PHE 66 -0.627 23.828 11.919 1102 HE1 PHE 66 HE1 PHE 66 3.930 23.511 9.958 1103 HE2 PHE 66 HE2 PHE 66 -0.022 25.226 9.961 1104 HZ PHE 66 HZ PHE 66 2.249 25.051 8.958 1105 H GLU 67 H GLU 67 -0.784 20.518 15.064 1106 HA GLU 67 HA GLU 67 1.227 19.738 17.092 1107 HB2 GLU 67 HB2 GLU 67 -1.510 21.062 17.323 1108 HB3 GLU 67 HB3 GLU 67 -0.465 20.683 18.667 1109 HG2 GLU 67 HG2 GLU 67 0.202 22.592 16.379 1110 HG3 GLU 67 HG3 GLU 67 -0.345 23.062 17.980 1111 H ASN 68 H ASN 68 -2.025 18.854 16.204 1112 HA ASN 68 HA ASN 68 -2.000 16.507 18.040 1113 HB2 ASN 68 HB2 ASN 68 -4.354 18.142 17.033 1114 HB3 ASN 68 HB3 ASN 68 -4.492 16.689 18.011 1115 HD21 ASN 68 HD21 ASN 68 -4.312 20.061 18.202 1116 HD22 ASN 68 HD22 ASN 68 -3.911 20.153 19.923 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -9.883 -10.291 -2.638 2 H2 GLY 1 H2 GLY 1 -9.689 -8.730 -3.098 3 H3 GLY 1 H3 GLY 1 -9.718 -9.117 -1.506 4 HA2 GLY 1 HA2 GLY 1 -7.675 -10.376 -1.704 5 HA3 GLY 1 HA3 GLY 1 -7.636 -9.942 -3.423 6 H SER 2 H SER 2 -5.824 -8.671 -3.500 7 HA SER 2 HA SER 2 -5.125 -6.692 -1.526 8 HB2 SER 2 HB2 SER 2 -4.127 -7.033 -4.378 9 HB3 SER 2 HB3 SER 2 -3.360 -6.066 -3.103 10 HG SER 2 HG SER 2 -2.420 -8.160 -3.296 11 H HIS 3 H HIS 3 -4.953 -4.424 -1.777 12 HA HIS 3 HA HIS 3 -6.825 -3.121 -3.703 13 HB2 HIS 3 HB2 HIS 3 -6.577 -2.699 -0.710 14 HB3 HIS 3 HB3 HIS 3 -7.442 -1.565 -1.742 15 HD1 HIS 3 HD1 HIS 3 -8.191 -4.343 0.432 16 HD2 HIS 3 HD2 HIS 3 -9.269 -3.360 -3.511 17 HE1 HIS 3 HE1 HIS 3 -10.283 -5.692 -0.090 18 H MET 4 H MET 4 -6.314 -1.078 -4.401 19 HA MET 4 HA MET 4 -3.611 0.016 -3.831 20 HB2 MET 4 HB2 MET 4 -3.438 -1.535 -5.767 21 HB3 MET 4 HB3 MET 4 -4.711 -0.644 -6.599 22 HG2 MET 4 HG2 MET 4 -2.436 -0.067 -7.390 23 HG3 MET 4 HG3 MET 4 -3.332 1.319 -6.794 24 HE1 MET 4 HE1 MET 4 0.229 -0.671 -4.555 25 HE2 MET 4 HE2 MET 4 -1.372 -1.433 -4.597 26 HE3 MET 4 HE3 MET 4 -0.437 -1.241 -6.100 27 H ARG 5 H ARG 5 -3.425 2.267 -4.273 28 HA ARG 5 HA ARG 5 -6.039 3.592 -3.910 29 HB2 ARG 5 HB2 ARG 5 -3.588 3.775 -2.605 30 HB3 ARG 5 HB3 ARG 5 -3.582 5.219 -3.577 31 HG2 ARG 5 HG2 ARG 5 -5.721 5.948 -2.638 32 HG3 ARG 5 HG3 ARG 5 -5.945 4.478 -1.815 33 HD2 ARG 5 HD2 ARG 5 -5.278 6.134 -0.257 34 HD3 ARG 5 HD3 ARG 5 -4.258 4.707 -0.263 35 HE ARG 5 HE ARG 5 -3.167 6.853 -1.919 36 HH11 ARG 5 HH21 ARG 5 -3.457 5.851 1.437 37 HH12 ARG 5 HH22 ARG 5 -1.878 6.466 1.849 38 HH21 ARG 5 HH12 ARG 5 -1.137 7.609 -1.305 39 HH22 ARG 5 HH11 ARG 5 -0.627 7.462 0.348 40 H MET 6 H MET 6 -6.837 5.298 -5.021 41 HA MET 6 HA MET 6 -5.211 6.447 -7.233 42 HB2 MET 6 HB2 MET 6 -8.229 6.166 -7.307 43 HB3 MET 6 HB3 MET 6 -7.155 6.574 -8.635 44 HG2 MET 6 HG2 MET 6 -7.287 3.898 -7.191 45 HG3 MET 6 HG3 MET 6 -8.096 4.263 -8.714 46 HE1 MET 6 HE1 MET 6 -5.212 1.642 -9.519 47 HE2 MET 6 HE2 MET 6 -6.039 1.806 -7.955 48 HE3 MET 6 HE3 MET 6 -6.970 1.901 -9.469 49 H SER 7 H SER 7 -4.674 7.648 -5.201 50 HA SER 7 HA SER 7 -6.221 9.166 -3.693 51 HB2 SER 7 HB2 SER 7 -3.489 9.931 -4.726 52 HB3 SER 7 HB3 SER 7 -4.344 10.881 -3.488 53 HG SER 7 HG SER 7 -2.924 9.148 -2.711 54 H LEU 8 H LEU 8 -7.754 10.520 -3.998 55 HA LEU 8 HA LEU 8 -9.203 11.985 -4.705 56 HB2 LEU 8 HB2 LEU 8 -7.061 14.015 -5.138 57 HB3 LEU 8 HB3 LEU 8 -8.625 14.145 -4.393 58 HG LEU 8 HG LEU 8 -6.342 12.567 -3.109 59 HD11 LEU 8 HD11 LEU 8 -5.756 14.900 -3.198 60 HD12 LEU 8 HD12 LEU 8 -6.130 14.344 -1.559 61 HD13 LEU 8 HD13 LEU 8 -7.323 15.337 -2.449 62 HD21 LEU 8 HD21 LEU 8 -8.588 11.836 -2.444 63 HD22 LEU 8 HD22 LEU 8 -9.068 13.537 -2.209 64 HD23 LEU 8 HD23 LEU 8 -7.863 12.777 -1.127 65 H ILE 9 H ILE 9 -9.595 10.569 -6.537 66 HA ILE 9 HA ILE 9 -9.059 11.393 -9.219 67 HB ILE 9 HB ILE 9 -11.654 10.093 -8.381 68 HG12 ILE 9 HG12 ILE 9 -8.986 8.635 -8.348 69 HG13 ILE 9 HG13 ILE 9 -10.012 8.916 -6.977 70 HG21 ILE 9 HG21 ILE 9 -9.731 9.487 -10.678 71 HG22 ILE 9 HG22 ILE 9 -11.389 8.877 -10.492 72 HG23 ILE 9 HG23 ILE 9 -11.123 10.584 -10.807 73 HD11 ILE 9 HD11 ILE 9 -10.439 6.714 -7.555 74 HD12 ILE 9 HD12 ILE 9 -11.842 7.627 -8.126 75 HD13 ILE 9 HD13 ILE 9 -10.601 7.070 -9.284 76 H GLY 10 H GLY 10 -11.302 12.499 -6.796 77 HA2 GLY 10 HA2 GLY 10 -12.427 14.560 -6.757 78 HA3 GLY 10 HA3 GLY 10 -12.365 14.681 -8.491 79 H GLU 11 H GLU 11 -13.457 11.555 -7.747 80 HA GLU 11 HA GLU 11 -16.205 12.310 -6.888 81 HB2 GLU 11 HB2 GLU 11 -15.754 10.273 -9.114 82 HB3 GLU 11 HB3 GLU 11 -17.254 10.650 -8.302 83 HG2 GLU 11 HG2 GLU 11 -17.457 11.758 -10.319 84 HG3 GLU 11 HG3 GLU 11 -17.104 13.020 -9.149 85 H ARG 12 H ARG 12 -14.196 9.480 -7.723 86 HA ARG 12 HA ARG 12 -13.647 7.573 -6.628 87 HB2 ARG 12 HB2 ARG 12 -13.955 8.948 -3.983 88 HB3 ARG 12 HB3 ARG 12 -12.963 7.614 -4.484 89 HG2 ARG 12 HG2 ARG 12 -11.272 9.077 -4.610 90 HG3 ARG 12 HG3 ARG 12 -11.952 9.452 -6.174 91 HD2 ARG 12 HD2 ARG 12 -11.565 11.534 -5.031 92 HD3 ARG 12 HD3 ARG 12 -13.304 11.308 -5.061 93 HE ARG 12 HE ARG 12 -11.475 10.989 -2.710 94 HH11 ARG 12 HH12 ARG 12 -14.788 11.458 -3.801 95 HH12 ARG 12 HH11 ARG 12 -15.262 12.012 -2.245 96 HH21 ARG 12 HH21 ARG 12 -12.285 11.567 -0.710 97 HH22 ARG 12 HH22 ARG 12 -13.995 11.835 -0.532 98 H PHE 13 H PHE 13 -16.086 7.535 -7.482 99 HA PHE 13 HA PHE 13 -18.101 7.185 -5.466 100 HB2 PHE 13 HB2 PHE 13 -17.920 8.092 -8.104 101 HB3 PHE 13 HB3 PHE 13 -18.748 6.575 -8.280 102 HD1 PHE 13 HD1 PHE 13 -18.626 9.558 -6.030 103 HD2 PHE 13 HD2 PHE 13 -21.136 6.690 -8.041 104 HE1 PHE 13 HE1 PHE 13 -20.671 10.863 -5.371 105 HE2 PHE 13 HE2 PHE 13 -23.168 7.947 -7.325 106 HZ PHE 13 HZ PHE 13 -22.927 10.042 -6.002 107 H THR 14 H THR 14 -17.563 5.342 -4.370 108 HA THR 14 HA THR 14 -17.949 3.287 -3.621 109 HB THR 14 HB THR 14 -20.192 3.637 -3.847 110 HG1 THR 14 HG1 THR 14 -19.854 1.530 -3.420 111 HG21 THR 14 HG21 THR 14 -20.432 4.475 -6.097 112 HG22 THR 14 HG22 THR 14 -21.553 3.135 -5.825 113 HG23 THR 14 HG23 THR 14 -20.082 2.868 -6.783 114 H GLU 15 H GLU 15 -18.226 2.505 -7.128 115 HA GLU 15 HA GLU 15 -16.374 0.251 -6.968 116 HB2 GLU 15 HB2 GLU 15 -17.427 1.940 -9.277 117 HB3 GLU 15 HB3 GLU 15 -16.409 0.516 -9.481 118 HG2 GLU 15 HG2 GLU 15 -19.178 0.512 -8.195 119 HG3 GLU 15 HG3 GLU 15 -18.824 0.075 -9.858 120 H GLU 16 H GLU 16 -16.072 3.735 -7.386 121 HA GLU 16 HA GLU 16 -13.148 3.543 -7.951 122 HB2 GLU 16 HB2 GLU 16 -15.183 5.750 -8.204 123 HB3 GLU 16 HB3 GLU 16 -13.457 6.077 -8.260 124 HG2 GLU 16 HG2 GLU 16 -13.194 4.535 -10.149 125 HG3 GLU 16 HG3 GLU 16 -14.930 4.181 -10.130 126 H GLU 17 H GLU 17 -15.008 3.471 -5.296 127 HA GLU 17 HA GLU 17 -13.748 5.366 -3.583 128 HB2 GLU 17 HB2 GLU 17 -15.946 4.185 -3.253 129 HB3 GLU 17 HB3 GLU 17 -15.037 2.748 -2.749 130 HG2 GLU 17 HG2 GLU 17 -14.095 4.066 -0.850 131 HG3 GLU 17 HG3 GLU 17 -14.959 5.489 -1.436 132 H GLN 18 H GLN 18 -12.394 2.456 -4.733 133 HA GLN 18 HA GLN 18 -10.902 1.310 -2.892 134 HB2 GLN 18 HB2 GLN 18 -9.238 0.642 -4.377 135 HB3 GLN 18 HB3 GLN 18 -10.667 0.838 -5.377 136 HG2 GLN 18 HG2 GLN 18 -8.364 2.808 -5.181 137 HG3 GLN 18 HG3 GLN 18 -8.663 1.590 -6.445 138 HE21 GLN 18 HE22 GLN 18 -9.258 4.829 -5.565 139 HE22 GLN 18 HE21 GLN 18 -10.736 5.076 -6.500 140 H LYS 19 H LYS 19 -10.123 4.526 -3.894 141 HA LYS 19 HA LYS 19 -7.728 4.958 -2.442 142 HB2 LYS 19 HB2 LYS 19 -8.386 6.618 -3.963 143 HB3 LYS 19 HB3 LYS 19 -10.007 6.570 -3.443 144 HG2 LYS 19 HG2 LYS 19 -8.763 8.658 -3.070 145 HG3 LYS 19 HG3 LYS 19 -9.785 7.991 -1.787 146 HD2 LYS 19 HD2 LYS 19 -8.260 7.883 -0.291 147 HD3 LYS 19 HD3 LYS 19 -7.048 7.209 -1.350 148 HE2 LYS 19 HE2 LYS 19 -7.273 9.877 -2.233 149 HE3 LYS 19 HE3 LYS 19 -7.790 10.081 -0.580 150 HZ1 LYS 19 HZ1 LYS 19 -5.123 8.969 -1.397 151 HZ2 LYS 19 HZ2 LYS 19 -5.586 9.352 0.157 152 HZ3 LYS 19 HZ3 LYS 19 -5.392 10.496 -0.954 153 H LEU 20 H LEU 20 -11.007 5.575 -1.395 154 HA LEU 20 HA LEU 20 -10.323 6.389 1.293 155 HB2 LEU 20 HB2 LEU 20 -13.039 5.712 0.057 156 HB3 LEU 20 HB3 LEU 20 -12.791 6.620 1.487 157 HG LEU 20 HG LEU 20 -13.414 8.200 0.055 158 HD11 LEU 20 HD11 LEU 20 -11.629 9.077 1.237 159 HD12 LEU 20 HD12 LEU 20 -11.369 9.602 -0.442 160 HD13 LEU 20 HD13 LEU 20 -10.396 8.300 0.247 161 HD21 LEU 20 HD21 LEU 20 -13.396 6.927 -1.947 162 HD22 LEU 20 HD22 LEU 20 -11.651 7.028 -2.120 163 HD23 LEU 20 HD23 LEU 20 -12.623 8.497 -2.202 164 H LEU 21 H LEU 21 -11.544 3.569 -0.326 165 HA LEU 21 HA LEU 21 -12.018 1.825 1.926 166 HB2 LEU 21 HB2 LEU 21 -12.888 0.651 0.223 167 HB3 LEU 21 HB3 LEU 21 -12.012 1.572 -0.976 168 HG LEU 21 HG LEU 21 -10.016 0.138 -0.647 169 HD11 LEU 21 HD11 LEU 21 -10.529 -0.917 1.657 170 HD12 LEU 21 HD12 LEU 21 -10.323 -2.128 0.416 171 HD13 LEU 21 HD13 LEU 21 -11.950 -1.662 0.951 172 HD21 LEU 21 HD21 LEU 21 -10.461 -1.497 -1.905 173 HD22 LEU 21 HD22 LEU 21 -11.791 -0.410 -2.380 174 HD23 LEU 21 HD23 LEU 21 -12.136 -1.798 -1.345 175 H LEU 22 H LEU 22 -8.974 2.530 -0.086 176 HA LEU 22 HA LEU 22 -7.861 0.168 1.091 177 HB2 LEU 22 HB2 LEU 22 -6.892 0.834 -0.972 178 HB3 LEU 22 HB3 LEU 22 -6.578 2.479 -0.408 179 HG LEU 22 HG LEU 22 -4.826 1.639 1.138 180 HD11 LEU 22 HD11 LEU 22 -5.190 -1.065 -0.195 181 HD12 LEU 22 HD12 LEU 22 -5.705 -0.707 1.470 182 HD13 LEU 22 HD13 LEU 22 -3.995 -0.629 1.032 183 HD21 LEU 22 HD21 LEU 22 -4.210 2.361 -1.082 184 HD22 LEU 22 HD22 LEU 22 -4.494 0.730 -1.732 185 HD23 LEU 22 HD23 LEU 22 -3.178 1.019 -0.571 186 H ASN 23 H ASN 23 -7.641 3.598 1.535 187 HA ASN 23 HA ASN 23 -5.990 4.061 3.742 188 HB2 ASN 23 HB2 ASN 23 -8.419 5.380 2.458 189 HB3 ASN 23 HB3 ASN 23 -7.785 6.039 3.875 190 HD21 ASN 23 HD21 ASN 23 -7.817 7.330 1.441 191 HD22 ASN 23 HD22 ASN 23 -6.164 7.518 0.900 192 H ILE 24 H ILE 24 -9.552 3.204 3.946 193 HA ILE 24 HA ILE 24 -9.317 3.368 6.892 194 HB ILE 24 HB ILE 24 -11.514 2.523 7.076 195 HG12 ILE 24 HG12 ILE 24 -11.426 1.979 4.114 196 HG13 ILE 24 HG13 ILE 24 -11.564 0.814 5.392 197 HG21 ILE 24 HG21 ILE 24 -12.729 4.367 6.111 198 HG22 ILE 24 HG22 ILE 24 -11.143 4.918 6.649 199 HG23 ILE 24 HG23 ILE 24 -11.447 4.658 4.926 200 HD11 ILE 24 HD11 ILE 24 -13.729 1.088 4.374 201 HD12 ILE 24 HD12 ILE 24 -13.804 1.789 6.005 202 HD13 ILE 24 HD13 ILE 24 -13.679 2.846 4.574 203 H LEU 25 H LEU 25 -8.863 0.892 4.487 204 HA LEU 25 HA LEU 25 -9.155 -1.317 6.265 205 HB2 LEU 25 HB2 LEU 25 -9.609 -1.338 3.846 206 HB3 LEU 25 HB3 LEU 25 -7.896 -1.091 3.509 207 HG LEU 25 HG LEU 25 -7.372 -3.295 4.570 208 HD11 LEU 25 HD11 LEU 25 -9.263 -4.884 4.946 209 HD12 LEU 25 HD12 LEU 25 -10.411 -3.543 4.716 210 HD13 LEU 25 HD13 LEU 25 -9.285 -3.541 6.093 211 HD21 LEU 25 HD21 LEU 25 -9.463 -3.412 2.369 212 HD22 LEU 25 HD22 LEU 25 -8.251 -4.659 2.751 213 HD23 LEU 25 HD23 LEU 25 -7.727 -3.073 2.145 214 H ILE 26 H ILE 26 -6.364 0.611 5.257 215 HA ILE 26 HA ILE 26 -4.361 -1.105 6.502 216 HB ILE 26 HB ILE 26 -2.772 0.647 5.982 217 HG12 ILE 26 HG12 ILE 26 -4.951 2.318 4.698 218 HG13 ILE 26 HG13 ILE 26 -4.476 2.578 6.382 219 HG21 ILE 26 HG21 ILE 26 -4.621 0.009 3.664 220 HG22 ILE 26 HG22 ILE 26 -2.929 0.528 3.548 221 HG23 ILE 26 HG23 ILE 26 -3.331 -1.017 4.306 222 HD11 ILE 26 HD11 ILE 26 -2.649 2.793 3.955 223 HD12 ILE 26 HD12 ILE 26 -3.263 4.116 4.964 224 HD13 ILE 26 HD13 ILE 26 -2.120 2.939 5.649 225 H ASN 27 H ASN 27 -2.700 0.496 7.843 226 HA ASN 27 HA ASN 27 -3.241 0.045 10.441 227 HB2 ASN 27 HB2 ASN 27 -1.613 2.431 9.442 228 HB3 ASN 27 HB3 ASN 27 -1.395 1.566 10.957 229 HD21 ASN 27 HD21 ASN 27 -0.542 1.677 7.607 230 HD22 ASN 27 HD22 ASN 27 0.350 0.172 7.580 231 H HIS 28 H HIS 28 -3.982 3.190 8.884 232 HA HIS 28 HA HIS 28 -6.203 3.618 10.675 233 HB2 HIS 28 HB2 HIS 28 -5.536 5.825 11.491 234 HB3 HIS 28 HB3 HIS 28 -4.402 4.610 12.053 235 HD1 HIS 28 HD1 HIS 28 -4.584 7.450 9.402 236 HD2 HIS 28 HD2 HIS 28 -1.854 4.938 11.404 237 HE1 HIS 28 HE1 HIS 28 -2.257 8.336 8.854 238 H GLU 29 H GLU 29 -7.575 5.407 9.970 239 HA GLU 29 HA GLU 29 -7.819 5.634 7.142 240 HB2 GLU 29 HB2 GLU 29 -9.593 7.211 7.559 241 HB3 GLU 29 HB3 GLU 29 -9.720 5.818 8.631 242 HG2 GLU 29 HG2 GLU 29 -8.672 7.194 10.470 243 HG3 GLU 29 HG3 GLU 29 -8.687 8.588 9.383 244 H TYR 30 H TYR 30 -7.495 7.317 5.711 245 HA TYR 30 HA TYR 30 -5.308 9.227 6.468 246 HB2 TYR 30 HB2 TYR 30 -4.475 7.020 5.628 247 HB3 TYR 30 HB3 TYR 30 -5.374 7.316 4.133 248 HD1 TYR 30 HD1 TYR 30 -2.845 9.042 6.338 249 HD2 TYR 30 HD2 TYR 30 -4.245 8.280 2.336 250 HE1 TYR 30 HE1 TYR 30 -0.978 10.402 5.428 251 HE2 TYR 30 HE2 TYR 30 -2.341 9.585 1.417 252 HH TYR 30 HH TYR 30 0.103 11.139 3.536 253 H ALA 31 H ALA 31 -7.974 8.622 4.087 254 HA ALA 31 HA ALA 31 -7.511 10.644 2.307 255 HB1 ALA 31 HB1 ALA 31 -10.171 9.872 3.566 256 HB2 ALA 31 HB2 ALA 31 -9.938 10.696 2.015 257 HB3 ALA 31 HB3 ALA 31 -9.345 9.027 2.219 258 H ILE 32 H ILE 32 -9.014 10.958 5.536 259 HA ILE 32 HA ILE 32 -9.539 13.686 5.437 260 HB ILE 32 HB ILE 32 -9.301 11.538 7.506 261 HG12 ILE 32 HG12 ILE 32 -11.404 11.769 6.416 262 HG13 ILE 32 HG13 ILE 32 -11.596 12.312 8.071 263 HG21 ILE 32 HG21 ILE 32 -9.709 12.981 9.396 264 HG22 ILE 32 HG22 ILE 32 -8.104 13.188 8.730 265 HG23 ILE 32 HG23 ILE 32 -9.324 14.426 8.373 266 HD11 ILE 32 HD11 ILE 32 -12.816 13.901 6.833 267 HD12 ILE 32 HD12 ILE 32 -11.275 14.723 7.088 268 HD13 ILE 32 HD13 ILE 32 -11.650 13.945 5.526 269 H GLU 33 H GLU 33 -6.520 12.173 6.422 270 HA GLU 33 HA GLU 33 -5.194 14.565 7.254 271 HB2 GLU 33 HB2 GLU 33 -4.267 12.242 7.441 272 HB3 GLU 33 HB3 GLU 33 -3.800 12.360 5.721 273 HG2 GLU 33 HG2 GLU 33 -2.496 14.398 6.215 274 HG3 GLU 33 HG3 GLU 33 -3.018 14.348 7.900 275 H LEU 34 H LEU 34 -5.710 13.248 3.960 276 HA LEU 34 HA LEU 34 -4.448 15.436 2.608 277 HB2 LEU 34 HB2 LEU 34 -6.412 13.270 1.805 278 HB3 LEU 34 HB3 LEU 34 -6.092 14.605 0.736 279 HG LEU 34 HG LEU 34 -4.825 12.481 0.366 280 HD11 LEU 34 HD11 LEU 34 -2.728 13.596 -0.269 281 HD12 LEU 34 HD12 LEU 34 -3.067 14.936 0.843 282 HD13 LEU 34 HD13 LEU 34 -4.081 14.689 -0.589 283 HD21 LEU 34 HD21 LEU 34 -3.131 13.298 2.722 284 HD22 LEU 34 HD22 LEU 34 -2.809 12.010 1.556 285 HD23 LEU 34 HD23 LEU 34 -4.218 11.885 2.632 286 H LEU 35 H LEU 35 -7.875 14.954 3.761 287 HA LEU 35 HA LEU 35 -8.912 17.262 2.523 288 HB2 LEU 35 HB2 LEU 35 -10.335 15.688 3.802 289 HB3 LEU 35 HB3 LEU 35 -9.573 16.144 5.300 290 HG LEU 35 HG LEU 35 -10.401 18.423 5.206 291 HD11 LEU 35 HD11 LEU 35 -12.127 17.711 2.827 292 HD12 LEU 35 HD12 LEU 35 -10.635 18.654 2.686 293 HD13 LEU 35 HD13 LEU 35 -11.982 19.256 3.656 294 HD21 LEU 35 HD21 LEU 35 -11.746 16.818 6.380 295 HD22 LEU 35 HD22 LEU 35 -12.587 16.353 4.880 296 HD23 LEU 35 HD23 LEU 35 -12.784 17.986 5.566 297 H SER 36 H SER 36 -7.500 17.174 5.905 298 HA SER 36 HA SER 36 -7.732 19.997 6.191 299 HB2 SER 36 HB2 SER 36 -7.438 18.309 8.014 300 HB3 SER 36 HB3 SER 36 -5.726 18.206 7.561 301 HG SER 36 HG SER 36 -7.174 20.455 8.538 302 H SER 37 H SER 37 -5.050 18.024 4.932 303 HA SER 37 HA SER 37 -3.132 20.100 4.724 304 HB2 SER 37 HB2 SER 37 -2.739 17.620 4.522 305 HB3 SER 37 HB3 SER 37 -3.365 17.716 2.862 306 HG SER 37 HG SER 37 -1.093 17.959 2.898 307 H GLU 38 H GLU 38 -5.572 18.861 2.540 308 HA GLU 38 HA GLU 38 -5.024 20.405 0.166 309 HB2 GLU 38 HB2 GLU 38 -7.386 18.754 1.124 310 HB3 GLU 38 HB3 GLU 38 -7.582 19.714 -0.274 311 HG2 GLU 38 HG2 GLU 38 -5.340 17.665 -0.004 312 HG3 GLU 38 HG3 GLU 38 -6.915 17.328 -0.715 313 H ILE 39 H ILE 39 -7.563 20.846 2.693 314 HA ILE 39 HA ILE 39 -8.681 23.173 1.437 315 HB ILE 39 HB ILE 39 -9.678 23.665 3.619 316 HG12 ILE 39 HG12 ILE 39 -9.475 21.380 5.153 317 HG13 ILE 39 HG13 ILE 39 -7.819 21.616 4.622 318 HG21 ILE 39 HG21 ILE 39 -10.752 22.227 1.942 319 HG22 ILE 39 HG22 ILE 39 -9.919 20.810 2.613 320 HG23 ILE 39 HG23 ILE 39 -11.156 21.655 3.571 321 HD11 ILE 39 HD11 ILE 39 -9.573 23.680 6.036 322 HD12 ILE 39 HD12 ILE 39 -8.278 22.727 6.791 323 HD13 ILE 39 HD13 ILE 39 -7.886 23.948 5.565 324 H ASN 40 H ASN 40 -6.185 22.812 3.995 325 HA ASN 40 HA ASN 40 -5.786 25.687 3.996 326 HB2 ASN 40 HB2 ASN 40 -4.168 25.497 5.500 327 HB3 ASN 40 HB3 ASN 40 -5.085 24.027 5.816 328 HD21 ASN 40 HD21 ASN 40 -4.035 22.064 5.514 329 HD22 ASN 40 HD22 ASN 40 -2.335 21.957 5.071 330 H ASP 41 H ASP 41 -4.493 23.252 1.789 331 HA ASP 41 HA ASP 41 -2.475 24.989 0.658 332 HB2 ASP 41 HB2 ASP 41 -2.853 22.385 0.429 333 HB3 ASP 41 HB3 ASP 41 -3.860 22.838 -0.936 334 H ILE 42 H ILE 42 -5.977 24.732 0.189 335 HA ILE 42 HA ILE 42 -5.906 26.757 -2.000 336 HB ILE 42 HB ILE 42 -8.271 25.626 -0.472 337 HG12 ILE 42 HG12 ILE 42 -8.872 24.810 -2.817 338 HG13 ILE 42 HG13 ILE 42 -7.251 25.259 -3.341 339 HG21 ILE 42 HG21 ILE 42 -8.802 27.940 -1.103 340 HG22 ILE 42 HG22 ILE 42 -8.209 27.650 -2.756 341 HG23 ILE 42 HG23 ILE 42 -9.665 26.830 -2.153 342 HD11 ILE 42 HD11 ILE 42 -7.636 22.801 -2.703 343 HD12 ILE 42 HD12 ILE 42 -6.266 23.578 -1.891 344 HD13 ILE 42 HD13 ILE 42 -7.829 23.359 -1.047 345 H GLU 43 H GLU 43 -6.857 26.739 1.460 346 HA GLU 43 HA GLU 43 -7.746 29.410 1.512 347 HB2 GLU 43 HB2 GLU 43 -8.091 27.418 3.143 348 HB3 GLU 43 HB3 GLU 43 -6.602 27.916 3.907 349 HG2 GLU 43 HG2 GLU 43 -8.501 28.808 5.115 350 HG3 GLU 43 HG3 GLU 43 -7.573 30.132 4.420 351 H THR 44 H THR 44 -4.603 28.105 2.424 352 HA THR 44 HA THR 44 -3.456 30.884 2.440 353 HB THR 44 HB THR 44 -3.623 30.005 4.703 354 HG1 THR 44 HG1 THR 44 -0.957 30.215 3.766 355 HG21 THR 44 HG21 THR 44 -1.757 27.808 3.736 356 HG22 THR 44 HG22 THR 44 -3.354 27.648 4.496 357 HG23 THR 44 HG23 THR 44 -1.992 28.250 5.442 358 H GLY 45 H GLY 45 -2.820 27.459 1.480 359 HA2 GLY 45 HA2 GLY 45 -0.290 28.041 0.261 360 HA3 GLY 45 HA3 GLY 45 -1.360 26.706 -0.160 361 H THR 46 H THR 46 -3.518 28.712 -0.844 362 HA THR 46 HA THR 46 -4.432 29.726 -2.578 363 HB THR 46 HB THR 46 -3.368 31.575 -3.749 364 HG1 THR 46 HG1 THR 46 -1.207 30.805 -3.734 365 HG21 THR 46 HG21 THR 46 -2.893 31.623 -0.744 366 HG22 THR 46 HG22 THR 46 -4.453 31.895 -1.551 367 HG23 THR 46 HG23 THR 46 -3.111 33.022 -1.816 368 H LYS 47 H LYS 47 -3.710 27.177 -3.058 369 HA LYS 47 HA LYS 47 -2.867 26.718 -5.782 370 HB2 LYS 47 HB2 LYS 47 -4.882 25.267 -4.004 371 HB3 LYS 47 HB3 LYS 47 -4.363 24.682 -5.570 372 HG2 LYS 47 HG2 LYS 47 -2.573 25.077 -3.148 373 HG3 LYS 47 HG3 LYS 47 -3.231 23.552 -3.699 374 HD2 LYS 47 HD2 LYS 47 -1.257 25.303 -5.229 375 HD3 LYS 47 HD3 LYS 47 -0.822 23.915 -4.261 376 HE2 LYS 47 HE2 LYS 47 -2.655 23.765 -6.697 377 HE3 LYS 47 HE3 LYS 47 -0.915 23.473 -6.730 378 HZ1 LYS 47 HZ1 LYS 47 -2.096 21.387 -6.497 379 HZ2 LYS 47 HZ2 LYS 47 -2.860 21.888 -5.140 380 HZ3 LYS 47 HZ3 LYS 47 -1.246 21.662 -5.129 381 H ASN 48 H ASN 48 -4.005 26.687 -7.698 382 HA ASN 48 HA ASN 48 -6.822 27.387 -7.839 383 HB2 ASN 48 HB2 ASN 48 -5.796 29.634 -7.602 384 HB3 ASN 48 HB3 ASN 48 -4.704 29.288 -8.943 385 HD21 ASN 48 HD21 ASN 48 -5.395 30.303 -10.809 386 HD22 ASN 48 HD22 ASN 48 -7.085 30.502 -11.247 387 H VAL 49 H VAL 49 -7.695 26.358 -9.512 388 HA VAL 49 HA VAL 49 -6.459 25.857 -12.059 389 HB VAL 49 HB VAL 49 -5.227 24.106 -11.065 390 HG11 VAL 49 HG11 VAL 49 -6.286 23.908 -8.907 391 HG12 VAL 49 HG12 VAL 49 -7.753 23.230 -9.670 392 HG13 VAL 49 HG13 VAL 49 -6.211 22.318 -9.657 393 HG21 VAL 49 HG21 VAL 49 -6.407 23.308 -13.137 394 HG22 VAL 49 HG22 VAL 49 -6.030 22.010 -11.978 395 HG23 VAL 49 HG23 VAL 49 -7.677 22.623 -12.101 396 H ASP 50 H ASP 50 -7.876 24.499 -13.342 397 HA ASP 50 HA ASP 50 -10.469 25.594 -13.598 398 HB2 ASP 50 HB2 ASP 50 -9.134 23.287 -15.042 399 HB3 ASP 50 HB3 ASP 50 -10.553 24.189 -15.539 400 H GLY 51 H GLY 51 -10.922 24.703 -11.354 401 HA2 GLY 51 HA2 GLY 51 -12.602 23.675 -10.078 402 HA3 GLY 51 HA3 GLY 51 -13.130 22.723 -11.452 403 H THR 52 H THR 52 -9.925 21.950 -11.433 404 HA THR 52 HA THR 52 -10.356 19.364 -10.430 405 HB THR 52 HB THR 52 -7.767 20.913 -10.741 406 HG1 THR 52 HG1 THR 52 -7.747 19.817 -12.745 407 HG21 THR 52 HG21 THR 52 -7.347 18.928 -9.411 408 HG22 THR 52 HG22 THR 52 -6.700 18.733 -11.046 409 HG23 THR 52 HG23 THR 52 -8.234 17.922 -10.587 410 H THR 53 H THR 53 -8.371 21.931 -8.759 411 HA THR 53 HA THR 53 -8.195 20.590 -6.312 412 HB THR 53 HB THR 53 -6.825 22.485 -7.135 413 HG1 THR 53 HG1 THR 53 -6.676 21.872 -5.023 414 HG21 THR 53 HG21 THR 53 -7.423 24.779 -6.752 415 HG22 THR 53 HG22 THR 53 -8.989 24.337 -6.057 416 HG23 THR 53 HG23 THR 53 -8.675 24.092 -7.792 417 H TYR 54 H TYR 54 -10.728 22.813 -7.404 418 HA TYR 54 HA TYR 54 -12.311 23.045 -5.051 419 HB2 TYR 54 HB2 TYR 54 -13.065 22.870 -8.010 420 HB3 TYR 54 HB3 TYR 54 -14.211 23.195 -6.741 421 HD1 TYR 54 HD2 TYR 54 -11.216 24.592 -8.486 422 HD2 TYR 54 HD1 TYR 54 -14.375 25.301 -5.635 423 HE1 TYR 54 HE2 TYR 54 -10.700 27.024 -8.534 424 HE2 TYR 54 HE1 TYR 54 -13.849 27.748 -5.673 425 HH TYR 54 HH TYR 54 -11.233 29.100 -7.723 426 H LYS 55 H LYS 55 -12.731 20.763 -7.813 427 HA LYS 55 HA LYS 55 -14.621 19.190 -6.657 428 HB2 LYS 55 HB2 LYS 55 -14.091 19.438 -9.045 429 HB3 LYS 55 HB3 LYS 55 -12.621 18.550 -8.834 430 HG2 LYS 55 HG2 LYS 55 -14.249 16.791 -9.405 431 HG3 LYS 55 HG3 LYS 55 -14.364 16.768 -7.670 432 HD2 LYS 55 HD2 LYS 55 -16.087 18.766 -8.025 433 HD3 LYS 55 HD3 LYS 55 -16.205 18.118 -9.655 434 HE2 LYS 55 HE2 LYS 55 -16.719 15.846 -8.737 435 HE3 LYS 55 HE3 LYS 55 -16.662 16.507 -7.102 436 HZ1 LYS 55 HZ1 LYS 55 -18.540 17.967 -7.710 437 HZ2 LYS 55 HZ2 LYS 55 -18.947 16.401 -7.936 438 HZ3 LYS 55 HZ3 LYS 55 -18.584 17.339 -9.219 439 H LYS 56 H LYS 56 -11.078 18.555 -6.622 440 HA LYS 56 HA LYS 56 -11.054 16.238 -4.965 441 HB2 LYS 56 HB2 LYS 56 -9.133 18.517 -5.222 442 HB3 LYS 56 HB3 LYS 56 -8.972 17.340 -3.919 443 HG2 LYS 56 HG2 LYS 56 -7.813 16.150 -5.357 444 HG3 LYS 56 HG3 LYS 56 -9.358 15.608 -6.029 445 HD2 LYS 56 HD2 LYS 56 -9.299 17.096 -7.823 446 HD3 LYS 56 HD3 LYS 56 -8.002 18.110 -7.161 447 HE2 LYS 56 HE2 LYS 56 -7.676 15.172 -7.758 448 HE3 LYS 56 HE3 LYS 56 -7.445 16.385 -9.021 449 HZ1 LYS 56 HZ1 LYS 56 -5.339 15.781 -7.959 450 HZ2 LYS 56 HZ2 LYS 56 -5.876 16.253 -6.494 451 HZ3 LYS 56 HZ3 LYS 56 -5.656 17.356 -7.682 452 H LEU 57 H LEU 57 -11.299 19.666 -3.702 453 HA LEU 57 HA LEU 57 -11.485 18.471 -1.046 454 HB2 LEU 57 HB2 LEU 57 -11.196 20.396 -0.135 455 HB3 LEU 57 HB3 LEU 57 -10.215 20.516 -1.579 456 HG LEU 57 HG LEU 57 -12.329 21.814 -2.571 457 HD11 LEU 57 HD11 LEU 57 -13.863 21.615 -0.637 458 HD12 LEU 57 HD12 LEU 57 -13.372 23.288 -0.847 459 HD13 LEU 57 HD13 LEU 57 -12.628 22.309 0.429 460 HD21 LEU 57 HD21 LEU 57 -10.395 23.047 -0.575 461 HD22 LEU 57 HD22 LEU 57 -11.322 23.932 -1.810 462 HD23 LEU 57 HD23 LEU 57 -10.104 22.753 -2.307 463 H VAL 58 H VAL 58 -13.914 19.658 -3.299 464 HA VAL 58 HA VAL 58 -15.994 19.431 -1.256 465 HB VAL 58 HB VAL 58 -16.025 21.030 -3.165 466 HG11 VAL 58 HG11 VAL 58 -17.134 18.761 -4.850 467 HG12 VAL 58 HG12 VAL 58 -16.717 20.434 -5.332 468 HG13 VAL 58 HG13 VAL 58 -15.450 19.290 -4.884 469 HG21 VAL 58 HG21 VAL 58 -18.489 19.293 -2.877 470 HG22 VAL 58 HG22 VAL 58 -18.005 20.624 -1.788 471 HG23 VAL 58 HG23 VAL 58 -18.436 20.965 -3.472 472 H THR 59 H THR 59 -14.463 17.219 -3.508 473 HA THR 59 HA THR 59 -16.539 15.176 -3.249 474 HB THR 59 HB THR 59 -14.868 15.361 -5.148 475 HG1 THR 59 HG1 THR 59 -16.195 13.669 -5.063 476 HG21 THR 59 HG21 THR 59 -12.992 14.283 -3.040 477 HG22 THR 59 HG22 THR 59 -12.774 15.376 -4.369 478 HG23 THR 59 HG23 THR 59 -12.912 13.663 -4.709 479 H LEU 60 H LEU 60 -13.575 16.000 -1.532 480 HA LEU 60 HA LEU 60 -13.280 13.882 0.276 481 HB2 LEU 60 HB2 LEU 60 -12.817 16.797 0.536 482 HB3 LEU 60 HB3 LEU 60 -13.040 15.908 2.030 483 HG LEU 60 HG LEU 60 -10.750 16.130 1.569 484 HD11 LEU 60 HD11 LEU 60 -11.328 13.209 1.054 485 HD12 LEU 60 HD12 LEU 60 -11.513 14.001 2.641 486 HD13 LEU 60 HD13 LEU 60 -9.930 13.967 1.845 487 HD21 LEU 60 HD21 LEU 60 -9.630 14.969 -0.319 488 HD22 LEU 60 HD22 LEU 60 -10.594 16.384 -0.730 489 HD23 LEU 60 HD23 LEU 60 -11.251 14.759 -1.056 490 H TYR 61 H TYR 61 -15.502 16.642 0.781 491 HA TYR 61 HA TYR 61 -16.833 15.315 3.009 492 HB2 TYR 61 HB2 TYR 61 -17.943 17.150 3.439 493 HB3 TYR 61 HB3 TYR 61 -16.875 17.928 2.269 494 HD1 TYR 61 HD2 TYR 61 -20.272 16.636 2.974 495 HD2 TYR 61 HD1 TYR 61 -17.836 18.680 0.082 496 HE1 TYR 61 HE2 TYR 61 -22.316 17.379 1.806 497 HE2 TYR 61 HE1 TYR 61 -19.905 19.379 -1.128 498 HH TYR 61 HH TYR 61 -22.190 19.292 -1.219 499 H ASP 62 H ASP 62 -17.522 15.508 -0.408 500 HA ASP 62 HA ASP 62 -20.091 14.331 -0.455 501 HB2 ASP 62 HB2 ASP 62 -18.894 15.314 -2.439 502 HB3 ASP 62 HB3 ASP 62 -17.983 13.796 -2.550 503 H ARG 63 H ARG 63 -16.987 12.720 0.179 504 HA ARG 63 HA ARG 63 -18.511 10.110 0.437 505 HB2 ARG 63 HB2 ARG 63 -16.114 10.605 -0.805 506 HB3 ARG 63 HB3 ARG 63 -15.572 10.055 0.696 507 HG2 ARG 63 HG2 ARG 63 -15.638 8.010 -0.028 508 HG3 ARG 63 HG3 ARG 63 -17.364 8.052 0.294 509 HD2 ARG 63 HD2 ARG 63 -16.104 9.079 -2.163 510 HD3 ARG 63 HD3 ARG 63 -16.504 7.342 -2.062 511 HE ARG 63 HE ARG 63 -18.876 7.937 -1.799 512 HH11 ARG 63 HH11 ARG 63 -17.021 10.360 -3.619 513 HH12 ARG 63 HH12 ARG 63 -18.446 11.393 -3.671 514 HH21 ARG 63 HH21 ARG 63 -20.609 9.321 -2.257 515 HH22 ARG 63 HH22 ARG 63 -20.241 10.829 -3.078 516 H PHE 64 H PHE 64 -16.280 12.198 2.223 517 HA PHE 64 HA PHE 64 -16.100 10.624 4.598 518 HB2 PHE 64 HB2 PHE 64 -14.514 12.320 4.205 519 HB3 PHE 64 HB3 PHE 64 -15.771 13.554 4.082 520 HD1 PHE 64 HD1 PHE 64 -14.098 11.147 6.460 521 HD2 PHE 64 HD2 PHE 64 -16.574 14.640 6.067 522 HE1 PHE 64 HE1 PHE 64 -13.840 11.608 8.892 523 HE2 PHE 64 HE2 PHE 64 -16.373 15.079 8.495 524 HZ PHE 64 HZ PHE 64 -15.002 13.549 9.923 525 H ARG 65 H ARG 65 -18.363 13.433 3.961 526 HA ARG 65 HA ARG 65 -19.632 13.284 6.561 527 HB2 ARG 65 HB2 ARG 65 -20.197 14.652 3.880 528 HB3 ARG 65 HB3 ARG 65 -21.212 14.886 5.207 529 HG2 ARG 65 HG2 ARG 65 -18.327 15.665 5.099 530 HG3 ARG 65 HG3 ARG 65 -19.714 16.766 5.078 531 HD2 ARG 65 HD2 ARG 65 -18.830 15.007 7.335 532 HD3 ARG 65 HD3 ARG 65 -18.685 16.759 7.289 533 HE ARG 65 HE ARG 65 -21.280 16.721 7.135 534 HH11 ARG 65 HH22 ARG 65 -19.547 14.296 8.970 535 HH12 ARG 65 HH21 ARG 65 -20.758 14.239 10.224 536 HH21 ARG 65 HH11 ARG 65 -22.878 16.458 8.690 537 HH22 ARG 65 HH12 ARG 65 -22.636 15.296 9.963 538 H PHE 66 H PHE 66 -20.360 12.169 3.432 539 HA PHE 66 HA PHE 66 -22.966 11.002 4.155 540 HB2 PHE 66 HB2 PHE 66 -21.419 11.073 1.560 541 HB3 PHE 66 HB3 PHE 66 -22.949 10.248 1.742 542 HD1 PHE 66 HD1 PHE 66 -24.999 11.606 2.584 543 HD2 PHE 66 HD2 PHE 66 -21.393 13.406 1.065 544 HE1 PHE 66 HE1 PHE 66 -26.251 13.694 2.081 545 HE2 PHE 66 HE2 PHE 66 -22.658 15.461 0.491 546 HZ PHE 66 HZ PHE 66 -25.083 15.623 1.026 547 H GLU 67 H GLU 67 -19.982 9.421 2.742 548 HA GLU 67 HA GLU 67 -21.446 6.864 3.038 549 HB2 GLU 67 HB2 GLU 67 -19.161 7.891 1.332 550 HB3 GLU 67 HB3 GLU 67 -19.505 6.183 1.458 551 HG2 GLU 67 HG2 GLU 67 -21.453 8.346 0.521 552 HG3 GLU 67 HG3 GLU 67 -20.528 7.291 -0.535 553 H ASN 68 H ASN 68 -18.422 8.226 4.054 554 HA ASN 68 HA ASN 68 -17.766 5.768 5.610 555 HB2 ASN 68 HB2 ASN 68 -15.785 7.685 4.336 556 HB3 ASN 68 HB3 ASN 68 -15.375 6.287 5.320 557 HD21 ASN 68 HD21 ASN 68 -16.247 7.350 2.168 558 HD22 ASN 68 HD22 ASN 68 -16.355 5.762 1.411 559 H1 GLY 1 H1 GLY 1 -18.010 11.175 32.653 560 H2 GLY 1 H2 GLY 1 -18.882 11.461 34.010 561 H3 GLY 1 H3 GLY 1 -17.386 12.110 33.845 562 HA2 GLY 1 HA2 GLY 1 -19.730 12.788 32.189 563 HA3 GLY 1 HA3 GLY 1 -19.077 13.794 33.495 564 H SER 2 H SER 2 -19.375 14.272 30.535 565 HA SER 2 HA SER 2 -16.800 14.285 29.287 566 HB2 SER 2 HB2 SER 2 -19.240 15.997 28.687 567 HB3 SER 2 HB3 SER 2 -17.859 15.720 27.610 568 HG SER 2 HG SER 2 -19.650 14.324 27.157 569 H HIS 3 H HIS 3 -15.424 16.008 28.749 570 HA HIS 3 HA HIS 3 -15.016 18.068 30.750 571 HB2 HIS 3 HB2 HIS 3 -13.249 16.815 29.343 572 HB3 HIS 3 HB3 HIS 3 -13.655 17.918 28.021 573 HD1 HIS 3 HD1 HIS 3 -12.806 20.452 28.332 574 HD2 HIS 3 HD2 HIS 3 -12.027 17.837 31.539 575 HE1 HIS 3 HE1 HIS 3 -11.164 21.672 29.879 576 H MET 4 H MET 4 -14.723 20.405 30.091 577 HA MET 4 HA MET 4 -16.926 21.544 28.550 578 HB2 MET 4 HB2 MET 4 -15.859 22.746 30.432 579 HB3 MET 4 HB3 MET 4 -14.320 22.758 29.571 580 HG2 MET 4 HG2 MET 4 -15.485 24.919 29.414 581 HG3 MET 4 HG3 MET 4 -15.218 24.195 27.839 582 HE1 MET 4 HE1 MET 4 -17.799 25.195 30.591 583 HE2 MET 4 HE2 MET 4 -19.339 24.584 29.948 584 HE3 MET 4 HE3 MET 4 -18.116 23.444 30.543 585 H ARG 5 H ARG 5 -16.874 22.288 26.439 586 HA ARG 5 HA ARG 5 -14.423 21.941 24.773 587 HB2 ARG 5 HB2 ARG 5 -15.939 19.978 24.626 588 HB3 ARG 5 HB3 ARG 5 -17.211 20.995 23.977 589 HG2 ARG 5 HG2 ARG 5 -15.568 21.571 22.090 590 HG3 ARG 5 HG3 ARG 5 -14.493 20.446 22.716 591 HD2 ARG 5 HD2 ARG 5 -15.679 19.523 20.839 592 HD3 ARG 5 HD3 ARG 5 -15.685 18.551 22.307 593 HE ARG 5 HE ARG 5 -18.095 20.155 22.079 594 HH11 ARG 5 HH11 ARG 5 -16.581 17.230 20.851 595 HH12 ARG 5 HH12 ARG 5 -18.116 16.463 20.537 596 HH21 ARG 5 HH21 ARG 5 -20.028 19.093 21.654 597 HH22 ARG 5 HH22 ARG 5 -20.007 17.486 20.996 598 H MET 6 H MET 6 -14.232 23.471 23.121 599 HA MET 6 HA MET 6 -16.493 25.355 22.854 600 HB2 MET 6 HB2 MET 6 -13.569 26.157 22.771 601 HB3 MET 6 HB3 MET 6 -14.950 27.245 22.681 602 HG2 MET 6 HG2 MET 6 -14.126 25.540 25.048 603 HG3 MET 6 HG3 MET 6 -13.810 27.261 24.880 604 HE1 MET 6 HE1 MET 6 -17.297 28.933 25.353 605 HE2 MET 6 HE2 MET 6 -15.556 29.177 25.102 606 HE3 MET 6 HE3 MET 6 -16.563 28.509 23.795 607 H SER 7 H SER 7 -17.015 23.853 21.210 608 HA SER 7 HA SER 7 -15.393 23.713 18.803 609 HB2 SER 7 HB2 SER 7 -18.241 22.839 19.333 610 HB3 SER 7 HB3 SER 7 -17.426 22.641 17.765 611 HG SER 7 HG SER 7 -17.325 20.894 19.517 612 H LEU 8 H LEU 8 -16.820 26.904 17.487 613 HA LEU 8 HA LEU 8 -14.228 25.685 18.006 614 HB2 LEU 8 HB2 LEU 8 -15.508 26.512 15.319 615 HB3 LEU 8 HB3 LEU 8 -13.811 26.575 15.557 616 HG LEU 8 HG LEU 8 -15.114 23.971 16.315 617 HD11 LEU 8 HD11 LEU 8 -14.699 24.856 13.442 618 HD12 LEU 8 HD12 LEU 8 -16.226 24.333 14.209 619 HD13 LEU 8 HD13 LEU 8 -14.912 23.168 13.983 620 HD21 LEU 8 HD21 LEU 8 -12.751 24.546 16.620 621 HD22 LEU 8 HD22 LEU 8 -12.605 24.902 14.884 622 HD23 LEU 8 HD23 LEU 8 -12.917 23.226 15.401 623 H ILE 9 H ILE 9 -12.805 27.387 18.531 624 HA ILE 9 HA ILE 9 -13.989 30.009 18.849 625 HB ILE 9 HB ILE 9 -11.132 29.365 19.535 626 HG12 ILE 9 HG12 ILE 9 -13.557 28.248 20.989 627 HG13 ILE 9 HG13 ILE 9 -12.282 27.336 20.255 628 HG21 ILE 9 HG21 ILE 9 -12.128 31.643 19.916 629 HG22 ILE 9 HG22 ILE 9 -13.318 30.903 21.009 630 HG23 ILE 9 HG23 ILE 9 -11.585 30.875 21.401 631 HD11 ILE 9 HD11 ILE 9 -10.609 28.453 21.775 632 HD12 ILE 9 HD12 ILE 9 -12.006 28.984 22.754 633 HD13 ILE 9 HD13 ILE 9 -11.689 27.256 22.486 634 H GLY 10 H GLY 10 -11.329 28.711 16.938 635 HA2 GLY 10 HA2 GLY 10 -10.642 29.815 14.803 636 HA3 GLY 10 HA3 GLY 10 -10.923 31.361 15.559 637 H GLU 11 H GLU 11 -9.418 29.521 17.923 638 HA GLU 11 HA GLU 11 -6.664 29.595 16.824 639 HB2 GLU 11 HB2 GLU 11 -6.002 30.303 19.289 640 HB3 GLU 11 HB3 GLU 11 -6.170 31.475 17.984 641 HG2 GLU 11 HG2 GLU 11 -8.445 30.879 19.919 642 HG3 GLU 11 HG3 GLU 11 -7.148 31.997 20.315 643 H ARG 12 H ARG 12 -8.357 28.936 19.898 644 HA ARG 12 HA ARG 12 -8.364 27.151 21.303 645 HB2 ARG 12 HB2 ARG 12 -8.017 25.213 19.075 646 HB3 ARG 12 HB3 ARG 12 -8.927 25.146 20.567 647 HG2 ARG 12 HG2 ARG 12 -10.715 25.483 19.310 648 HG3 ARG 12 HG3 ARG 12 -10.287 27.165 19.438 649 HD2 ARG 12 HD2 ARG 12 -10.756 26.636 17.104 650 HD3 ARG 12 HD3 ARG 12 -9.040 26.972 17.231 651 HE ARG 12 HE ARG 12 -10.339 24.314 16.837 652 HH11 ARG 12 HH11 ARG 12 -7.261 26.078 16.786 653 HH12 ARG 12 HH12 ARG 12 -6.668 25.035 15.546 654 HH21 ARG 12 HH21 ARG 12 -9.314 22.928 15.435 655 HH22 ARG 12 HH22 ARG 12 -7.651 23.222 15.012 656 H PHE 13 H PHE 13 -5.901 28.364 21.042 657 HA PHE 13 HA PHE 13 -3.602 26.695 20.790 658 HB2 PHE 13 HB2 PHE 13 -4.202 29.158 22.456 659 HB3 PHE 13 HB3 PHE 13 -2.615 28.469 22.241 660 HD1 PHE 13 HD1 PHE 13 -3.712 27.954 19.004 661 HD2 PHE 13 HD2 PHE 13 -2.989 31.250 21.712 662 HE1 PHE 13 HE1 PHE 13 -3.352 29.452 17.090 663 HE2 PHE 13 HE2 PHE 13 -2.645 32.751 19.767 664 HZ PHE 13 HZ PHE 13 -2.823 31.855 17.452 665 H THR 14 H THR 14 -2.207 25.965 22.628 666 HA THR 14 HA THR 14 -3.128 23.910 23.994 667 HB THR 14 HB THR 14 -0.805 24.560 23.841 668 HG1 THR 14 HG1 THR 14 -0.190 23.631 25.775 669 HG21 THR 14 HG21 THR 14 -0.975 26.925 24.706 670 HG22 THR 14 HG22 THR 14 0.317 25.961 25.431 671 HG23 THR 14 HG23 THR 14 -1.174 26.251 26.342 672 H GLU 15 H GLU 15 -3.404 27.127 25.660 673 HA GLU 15 HA GLU 15 -4.719 25.937 27.991 674 HB2 GLU 15 HB2 GLU 15 -4.475 28.827 27.073 675 HB3 GLU 15 HB3 GLU 15 -5.158 28.300 28.616 676 HG2 GLU 15 HG2 GLU 15 -2.974 27.194 29.173 677 HG3 GLU 15 HG3 GLU 15 -2.287 27.874 27.695 678 H GLU 16 H GLU 16 -5.826 27.254 24.990 679 HA GLU 16 HA GLU 16 -8.723 27.113 25.642 680 HB2 GLU 16 HB2 GLU 16 -7.189 28.245 23.268 681 HB3 GLU 16 HB3 GLU 16 -8.946 28.173 23.364 682 HG2 GLU 16 HG2 GLU 16 -8.990 29.594 25.323 683 HG3 GLU 16 HG3 GLU 16 -7.224 29.659 25.381 684 H GLU 17 H GLU 17 -6.402 24.995 24.655 685 HA GLU 17 HA GLU 17 -7.552 23.685 22.476 686 HB2 GLU 17 HB2 GLU 17 -5.223 23.475 23.355 687 HB3 GLU 17 HB3 GLU 17 -5.829 22.383 24.614 688 HG2 GLU 17 HG2 GLU 17 -6.553 20.773 22.867 689 HG3 GLU 17 HG3 GLU 17 -6.141 21.955 21.626 690 H GLN 18 H GLN 18 -8.722 23.541 25.602 691 HA GLN 18 HA GLN 18 -9.808 21.179 26.158 692 HB2 GLN 18 HB2 GLN 18 -11.619 21.902 27.307 693 HB3 GLN 18 HB3 GLN 18 -10.368 23.087 27.521 694 HG2 GLN 18 HG2 GLN 18 -12.803 23.303 25.692 695 HG3 GLN 18 HG3 GLN 18 -12.571 24.028 27.311 696 HE21 GLN 18 HE22 GLN 18 -12.260 24.642 23.988 697 HE22 GLN 18 HE21 GLN 18 -10.950 25.817 24.050 698 H LYS 19 H LYS 19 -11.036 23.115 23.562 699 HA LYS 19 HA LYS 19 -13.081 21.637 22.369 700 HB2 LYS 19 HB2 LYS 19 -12.469 23.730 21.535 701 HB3 LYS 19 HB3 LYS 19 -10.825 23.307 21.437 702 HG2 LYS 19 HG2 LYS 19 -12.163 23.598 19.310 703 HG3 LYS 19 HG3 LYS 19 -10.963 22.310 19.499 704 HD2 LYS 19 HD2 LYS 19 -12.311 20.679 19.130 705 HD3 LYS 19 HD3 LYS 19 -13.659 21.326 20.053 706 HE2 LYS 19 HE2 LYS 19 -13.828 23.020 18.009 707 HE3 LYS 19 HE3 LYS 19 -12.648 21.994 17.205 708 HZ1 LYS 19 HZ1 LYS 19 -15.376 21.144 18.058 709 HZ2 LYS 19 HZ2 LYS 19 -14.295 20.160 17.293 710 HZ3 LYS 19 HZ3 LYS 19 -14.919 21.453 16.525 711 H LEU 20 H LEU 20 -9.689 21.264 21.523 712 HA LEU 20 HA LEU 20 -10.081 18.959 19.822 713 HB2 LEU 20 HB2 LEU 20 -7.525 20.279 20.876 714 HB3 LEU 20 HB3 LEU 20 -7.602 19.180 19.560 715 HG LEU 20 HG LEU 20 -7.289 21.077 18.470 716 HD11 LEU 20 HD11 LEU 20 -9.053 19.927 17.370 717 HD12 LEU 20 HD12 LEU 20 -9.418 21.657 17.299 718 HD13 LEU 20 HD13 LEU 20 -10.296 20.603 18.406 719 HD21 LEU 20 HD21 LEU 20 -8.964 22.431 20.580 720 HD22 LEU 20 HD22 LEU 20 -8.707 23.155 18.990 721 HD23 LEU 20 HD23 LEU 20 -7.330 22.729 20.023 722 H LEU 21 H LEU 21 -8.977 19.644 22.966 723 HA LEU 21 HA LEU 21 -7.989 17.218 24.093 724 HB2 LEU 21 HB2 LEU 21 -7.698 19.320 25.158 725 HB3 LEU 21 HB3 LEU 21 -9.377 19.696 24.950 726 HG LEU 21 HG LEU 21 -8.763 19.558 27.252 727 HD11 LEU 21 HD11 LEU 21 -10.684 17.259 26.842 728 HD12 LEU 21 HD12 LEU 21 -11.130 18.981 26.726 729 HD13 LEU 21 HD13 LEU 21 -10.479 18.314 28.225 730 HD21 LEU 21 HD21 LEU 21 -7.075 17.731 26.996 731 HD22 LEU 21 HD22 LEU 21 -8.436 16.572 26.805 732 HD23 LEU 21 HD23 LEU 21 -8.218 17.478 28.331 733 H LEU 22 H LEU 22 -11.473 18.531 23.864 734 HA LEU 22 HA LEU 22 -12.220 16.130 25.402 735 HB2 LEU 22 HB2 LEU 22 -13.669 18.097 25.624 736 HB3 LEU 22 HB3 LEU 22 -13.984 18.110 23.888 737 HG LEU 22 HG LEU 22 -15.140 15.909 24.048 738 HD11 LEU 22 HD11 LEU 22 -14.629 16.147 27.034 739 HD12 LEU 22 HD12 LEU 22 -13.986 14.892 25.967 740 HD13 LEU 22 HD13 LEU 22 -15.717 14.966 26.272 741 HD21 LEU 22 HD21 LEU 22 -16.172 17.986 25.986 742 HD22 LEU 22 HD22 LEU 22 -17.109 16.600 25.383 743 HD23 LEU 22 HD23 LEU 22 -16.553 17.828 24.256 744 H ASN 23 H ASN 23 -12.231 17.243 22.136 745 HA ASN 23 HA ASN 23 -13.525 15.126 20.794 746 HB2 ASN 23 HB2 ASN 23 -11.572 17.352 20.103 747 HB3 ASN 23 HB3 ASN 23 -12.179 16.330 18.890 748 HD21 ASN 23 HD21 ASN 23 -12.693 18.956 18.878 749 HD22 ASN 23 HD22 ASN 23 -14.360 19.283 19.333 750 H ILE 24 H ILE 24 -10.088 15.271 21.783 751 HA ILE 24 HA ILE 24 -9.624 12.664 20.446 752 HB ILE 24 HB ILE 24 -7.429 12.679 21.345 753 HG12 ILE 24 HG12 ILE 24 -8.284 15.114 22.903 754 HG13 ILE 24 HG13 ILE 24 -7.676 13.601 23.508 755 HG21 ILE 24 HG21 ILE 24 -6.512 14.480 20.024 756 HG22 ILE 24 HG22 ILE 24 -7.928 13.815 19.214 757 HG23 ILE 24 HG23 ILE 24 -8.047 15.362 20.065 758 HD11 ILE 24 HD11 ILE 24 -6.069 15.715 22.023 759 HD12 ILE 24 HD12 ILE 24 -5.948 15.261 23.729 760 HD13 ILE 24 HD13 ILE 24 -5.441 14.108 22.476 761 H LEU 25 H LEU 25 -10.488 13.872 23.668 762 HA LEU 25 HA LEU 25 -9.875 11.461 25.047 763 HB2 LEU 25 HB2 LEU 25 -9.982 13.708 26.020 764 HB3 LEU 25 HB3 LEU 25 -11.713 13.788 25.702 765 HG LEU 25 HG LEU 25 -12.107 11.943 27.321 766 HD11 LEU 25 HD11 LEU 25 -10.257 11.311 28.869 767 HD12 LEU 25 HD12 LEU 25 -9.110 12.212 27.850 768 HD13 LEU 25 HD13 LEU 25 -9.941 10.773 27.216 769 HD21 LEU 25 HD21 LEU 25 -10.486 14.283 28.408 770 HD22 LEU 25 HD22 LEU 25 -11.621 13.272 29.333 771 HD23 LEU 25 HD23 LEU 25 -12.221 14.302 28.023 772 H ILE 26 H ILE 26 -12.753 12.491 23.302 773 HA ILE 26 HA ILE 26 -14.372 10.177 24.131 774 HB ILE 26 HB ILE 26 -16.122 11.095 22.752 775 HG12 ILE 26 HG12 ILE 26 -14.164 13.274 21.902 776 HG13 ILE 26 HG13 ILE 26 -14.809 12.052 20.847 777 HG21 ILE 26 HG21 ILE 26 -16.548 13.054 24.079 778 HG22 ILE 26 HG22 ILE 26 -15.702 11.869 25.073 779 HG23 ILE 26 HG23 ILE 26 -14.812 13.259 24.422 780 HD11 ILE 26 HD11 ILE 26 -17.123 12.930 21.271 781 HD12 ILE 26 HD12 ILE 26 -16.382 14.288 22.160 782 HD13 ILE 26 HD13 ILE 26 -16.027 14.057 20.445 783 H ASN 27 H ASN 27 -15.475 10.055 21.289 784 HA ASN 27 HA ASN 27 -14.245 7.696 20.334 785 HB2 ASN 27 HB2 ASN 27 -16.041 9.675 18.858 786 HB3 ASN 27 HB3 ASN 27 -15.826 7.971 18.481 787 HD21 ASN 27 HD21 ASN 27 -17.647 10.237 20.385 788 HD22 ASN 27 HD22 ASN 27 -18.526 9.027 21.296 789 H HIS 28 H HIS 28 -12.538 10.303 20.384 790 HA HIS 28 HA HIS 28 -10.798 11.213 19.446 791 HB2 HIS 28 HB2 HIS 28 -10.590 8.954 17.481 792 HB3 HIS 28 HB3 HIS 28 -9.306 9.973 18.114 793 HD1 HIS 28 HD1 HIS 28 -9.688 9.639 21.252 794 HD2 HIS 28 HD2 HIS 28 -10.163 6.584 18.383 795 HE1 HIS 28 HE1 HIS 28 -9.367 7.448 22.484 796 H GLU 29 H GLU 29 -9.946 12.549 17.941 797 HA GLU 29 HA GLU 29 -9.863 14.089 16.311 798 HB2 GLU 29 HB2 GLU 29 -10.761 11.744 14.615 799 HB3 GLU 29 HB3 GLU 29 -9.936 13.193 14.031 800 HG2 GLU 29 HG2 GLU 29 -7.979 12.682 15.451 801 HG3 GLU 29 HG3 GLU 29 -8.762 11.210 16.023 802 H TYR 30 H TYR 30 -12.651 13.982 17.578 803 HA TYR 30 HA TYR 30 -14.644 14.279 15.699 804 HB2 TYR 30 HB2 TYR 30 -14.954 14.151 18.182 805 HB3 TYR 30 HB3 TYR 30 -14.459 15.856 18.266 806 HD1 TYR 30 HD1 TYR 30 -16.968 13.716 16.423 807 HD2 TYR 30 HD2 TYR 30 -16.078 17.529 18.238 808 HE1 TYR 30 HE1 TYR 30 -19.257 14.512 15.896 809 HE2 TYR 30 HE2 TYR 30 -18.381 18.291 17.784 810 HH TYR 30 HH TYR 30 -20.786 16.213 16.108 811 H ALA 31 H ALA 31 -12.444 16.948 16.667 812 HA ALA 31 HA ALA 31 -13.621 19.147 15.545 813 HB1 ALA 31 HB1 ALA 31 -11.331 19.939 15.127 814 HB2 ALA 31 HB2 ALA 31 -11.431 19.110 16.695 815 HB3 ALA 31 HB3 ALA 31 -10.715 18.286 15.280 816 H ILE 32 H ILE 32 -11.931 16.557 13.700 817 HA ILE 32 HA ILE 32 -12.161 17.864 11.219 818 HB ILE 32 HB ILE 32 -11.788 14.959 11.976 819 HG12 ILE 32 HG12 ILE 32 -9.938 16.475 12.576 820 HG13 ILE 32 HG13 ILE 32 -9.476 15.319 11.339 821 HG21 ILE 32 HG21 ILE 32 -11.070 14.523 9.713 822 HG22 ILE 32 HG22 ILE 32 -12.776 14.868 9.771 823 HG23 ILE 32 HG23 ILE 32 -11.650 16.111 9.168 824 HD11 ILE 32 HD11 ILE 32 -8.564 17.608 10.929 825 HD12 ILE 32 HD12 ILE 32 -9.565 17.036 9.599 826 HD13 ILE 32 HD13 ILE 32 -10.180 18.239 10.766 827 H GLU 33 H GLU 33 -14.558 15.855 12.823 828 HA GLU 33 HA GLU 33 -16.269 15.573 10.538 829 HB2 GLU 33 HB2 GLU 33 -16.608 14.378 12.702 830 HB3 GLU 33 HB3 GLU 33 -17.301 15.885 13.367 831 HG2 GLU 33 HG2 GLU 33 -18.987 15.922 11.578 832 HG3 GLU 33 HG3 GLU 33 -18.222 14.538 10.793 833 H LEU 34 H LEU 34 -15.983 18.171 12.966 834 HA LEU 34 HA LEU 34 -17.827 19.986 11.763 835 HB2 LEU 34 HB2 LEU 34 -15.448 20.300 13.637 836 HB3 LEU 34 HB3 LEU 34 -16.250 21.688 12.956 837 HG LEU 34 HG LEU 34 -16.908 21.003 15.262 838 HD11 LEU 34 HD11 LEU 34 -18.287 22.533 13.883 839 HD12 LEU 34 HD12 LEU 34 -19.286 21.543 14.959 840 HD13 LEU 34 HD13 LEU 34 -19.178 21.140 13.233 841 HD21 LEU 34 HD21 LEU 34 -18.563 19.312 15.633 842 HD22 LEU 34 HD22 LEU 34 -17.069 18.592 14.998 843 HD23 LEU 34 HD23 LEU 34 -18.494 18.800 13.943 844 H LEU 35 H LEU 35 -14.225 19.632 11.317 845 HA LEU 35 HA LEU 35 -13.851 21.744 9.577 846 HB2 LEU 35 HB2 LEU 35 -12.008 20.200 10.271 847 HB3 LEU 35 HB3 LEU 35 -12.690 18.914 9.324 848 HG LEU 35 HG LEU 35 -12.275 20.015 7.219 849 HD11 LEU 35 HD11 LEU 35 -12.349 22.433 8.071 850 HD12 LEU 35 HD12 LEU 35 -11.093 22.012 6.905 851 HD13 LEU 35 HD13 LEU 35 -10.679 22.177 8.606 852 HD21 LEU 35 HD21 LEU 35 -9.839 19.880 7.194 853 HD22 LEU 35 HD22 LEU 35 -10.567 18.549 8.101 854 HD23 LEU 35 HD23 LEU 35 -9.806 19.904 8.972 855 H SER 36 H SER 36 -14.788 18.395 8.479 856 HA SER 36 HA SER 36 -14.988 19.171 5.742 857 HB2 SER 36 HB2 SER 36 -14.678 16.846 6.700 858 HB3 SER 36 HB3 SER 36 -16.413 16.857 7.058 859 HG SER 36 HG SER 36 -15.126 17.074 4.525 860 H SER 37 H SER 37 -17.510 18.931 8.319 861 HA SER 37 HA SER 37 -19.658 19.456 6.539 862 HB2 SER 37 HB2 SER 37 -21.063 19.847 8.381 863 HB3 SER 37 HB3 SER 37 -19.977 18.510 8.781 864 HG SER 37 HG SER 37 -20.245 20.010 10.499 865 H GLU 38 H GLU 38 -17.539 21.501 8.419 866 HA GLU 38 HA GLU 38 -18.781 24.069 8.029 867 HB2 GLU 38 HB2 GLU 38 -16.051 23.134 8.982 868 HB3 GLU 38 HB3 GLU 38 -16.324 24.796 8.796 869 HG2 GLU 38 HG2 GLU 38 -18.148 23.084 10.528 870 HG3 GLU 38 HG3 GLU 38 -16.704 23.895 11.122 871 H ILE 39 H ILE 39 -15.869 22.637 6.447 872 HA ILE 39 HA ILE 39 -15.409 24.889 4.726 873 HB ILE 39 HB ILE 39 -14.106 23.345 3.341 874 HG12 ILE 39 HG12 ILE 39 -13.685 21.057 4.862 875 HG13 ILE 39 HG13 ILE 39 -15.431 21.249 4.908 876 HG21 ILE 39 HG21 ILE 39 -12.354 22.961 5.085 877 HG22 ILE 39 HG22 ILE 39 -13.093 24.551 5.263 878 HG23 ILE 39 HG23 ILE 39 -13.590 23.228 6.333 879 HD11 ILE 39 HD11 ILE 39 -15.437 21.317 2.385 880 HD12 ILE 39 HD12 ILE 39 -13.683 21.037 2.426 881 HD13 ILE 39 HD13 ILE 39 -14.796 19.809 3.063 882 H ASN 40 H ASN 40 -17.272 21.851 4.230 883 HA ASN 40 HA ASN 40 -18.044 22.806 1.597 884 HB2 ASN 40 HB2 ASN 40 -19.166 20.939 1.222 885 HB3 ASN 40 HB3 ASN 40 -18.060 20.363 2.463 886 HD21 ASN 40 HD21 ASN 40 -18.946 19.699 4.427 887 HD22 ASN 40 HD22 ASN 40 -20.687 19.584 4.684 888 H ASP 41 H ASP 41 -19.496 23.492 4.750 889 HA ASP 41 HA ASP 41 -21.974 24.521 3.600 890 HB2 ASP 41 HB2 ASP 41 -21.518 23.763 6.033 891 HB3 ASP 41 HB3 ASP 41 -20.838 25.372 6.271 892 H ILE 42 H ILE 42 -18.734 25.809 4.031 893 HA ILE 42 HA ILE 42 -19.592 28.542 3.222 894 HB ILE 42 HB ILE 42 -16.929 27.318 3.968 895 HG12 ILE 42 HG12 ILE 42 -16.979 29.299 5.557 896 HG13 ILE 42 HG13 ILE 42 -18.599 29.671 4.991 897 HG21 ILE 42 HG21 ILE 42 -17.381 30.079 2.745 898 HG22 ILE 42 HG22 ILE 42 -15.891 29.548 3.554 899 HG23 ILE 42 HG23 ILE 42 -16.391 28.766 2.061 900 HD11 ILE 42 HD11 ILE 42 -18.796 28.491 7.084 901 HD12 ILE 42 HD12 ILE 42 -19.291 27.338 5.872 902 HD13 ILE 42 HD13 ILE 42 -17.654 27.244 6.542 903 H GLU 43 H GLU 43 -17.741 25.883 1.800 904 HA GLU 43 HA GLU 43 -17.152 27.118 -0.668 905 HB2 GLU 43 HB2 GLU 43 -16.196 24.986 0.354 906 HB3 GLU 43 HB3 GLU 43 -17.590 24.128 -0.246 907 HG2 GLU 43 HG2 GLU 43 -15.696 23.836 -1.753 908 HG3 GLU 43 HG3 GLU 43 -17.005 24.681 -2.562 909 H THR 44 H THR 44 -19.804 24.877 0.045 910 HA THR 44 HA THR 44 -21.181 25.687 -2.505 911 HB THR 44 HB THR 44 -20.329 23.460 -2.719 912 HG1 THR 44 HG1 THR 44 -22.248 22.503 -3.308 913 HG21 THR 44 HG21 THR 44 -20.232 22.602 -0.475 914 HG22 THR 44 HG22 THR 44 -21.318 21.574 -1.410 915 HG23 THR 44 HG23 THR 44 -21.992 22.760 -0.268 916 H GLY 45 H GLY 45 -21.740 24.882 0.958 917 HA2 GLY 45 HA2 GLY 45 -24.526 25.567 0.926 918 HA3 GLY 45 HA3 GLY 45 -23.459 25.609 2.327 919 H THR 46 H THR 46 -21.732 27.634 0.769 920 HA THR 46 HA THR 46 -21.371 29.798 0.625 921 HB THR 46 HB THR 46 -22.909 31.302 -0.519 922 HG1 THR 46 HG1 THR 46 -24.890 30.409 0.207 923 HG21 THR 46 HG21 THR 46 -22.671 28.574 -1.839 924 HG22 THR 46 HG22 THR 46 -21.393 29.807 -1.768 925 HG23 THR 46 HG23 THR 46 -22.897 30.139 -2.646 926 H LYS 47 H LYS 47 -21.959 28.978 3.220 927 HA LYS 47 HA LYS 47 -23.088 31.238 4.670 928 HB2 LYS 47 HB2 LYS 47 -20.846 29.298 5.392 929 HB3 LYS 47 HB3 LYS 47 -21.587 30.433 6.498 930 HG2 LYS 47 HG2 LYS 47 -22.834 27.977 5.245 931 HG3 LYS 47 HG3 LYS 47 -22.453 28.247 6.933 932 HD2 LYS 47 HD2 LYS 47 -24.614 29.661 5.318 933 HD3 LYS 47 HD3 LYS 47 -24.862 28.365 6.492 934 HE2 LYS 47 HE2 LYS 47 -23.925 29.803 8.296 935 HE3 LYS 47 HE3 LYS 47 -23.727 31.125 7.139 936 HZ1 LYS 47 HZ1 LYS 47 -26.149 31.100 6.805 937 HZ2 LYS 47 HZ2 LYS 47 -25.802 31.344 8.380 938 HZ3 LYS 47 HZ3 LYS 47 -26.323 29.882 7.881 939 H ASN 48 H ASN 48 -21.960 33.034 5.595 940 HA ASN 48 HA ASN 48 -19.247 33.661 4.734 941 HB2 ASN 48 HB2 ASN 48 -20.562 34.330 2.738 942 HB3 ASN 48 HB3 ASN 48 -21.619 35.313 3.751 943 HD21 ASN 48 HD21 ASN 48 -21.106 37.480 3.582 944 HD22 ASN 48 HD22 ASN 48 -19.469 38.085 3.384 945 H VAL 49 H VAL 49 -18.249 35.040 6.099 946 HA VAL 49 HA VAL 49 -19.513 37.064 7.679 947 HB VAL 49 HB VAL 49 -20.203 35.369 9.198 948 HG11 VAL 49 HG11 VAL 49 -17.387 34.298 9.092 949 HG12 VAL 49 HG12 VAL 49 -18.642 33.740 10.239 950 HG13 VAL 49 HG13 VAL 49 -18.863 33.483 8.508 951 HG21 VAL 49 HG21 VAL 49 -19.025 35.839 11.270 952 HG22 VAL 49 HG22 VAL 49 -17.619 36.448 10.387 953 HG23 VAL 49 HG23 VAL 49 -19.158 37.337 10.315 954 H ASP 50 H ASP 50 -17.890 38.216 8.982 955 HA ASP 50 HA ASP 50 -15.716 38.856 7.259 956 HB2 ASP 50 HB2 ASP 50 -17.256 40.450 8.438 957 HB3 ASP 50 HB3 ASP 50 -16.454 39.953 9.937 958 H GLY 51 H GLY 51 -14.729 36.815 7.598 959 HA2 GLY 51 HA2 GLY 51 -12.657 35.766 7.929 960 HA3 GLY 51 HA3 GLY 51 -12.190 36.918 9.161 961 H THR 52 H THR 52 -15.030 36.125 10.454 962 HA THR 52 HA THR 52 -13.954 34.499 12.472 963 HB THR 52 HB THR 52 -16.835 34.761 11.546 964 HG1 THR 52 HG1 THR 52 -16.888 36.306 13.223 965 HG21 THR 52 HG21 THR 52 -16.586 32.831 13.028 966 HG22 THR 52 HG22 THR 52 -17.440 34.157 13.834 967 HG23 THR 52 HG23 THR 52 -15.715 33.836 14.212 968 H THR 53 H THR 53 -16.261 33.333 9.869 969 HA THR 53 HA THR 53 -15.772 30.631 10.377 970 HB THR 53 HB THR 53 -17.678 31.517 9.130 971 HG1 THR 53 HG1 THR 53 -17.781 29.726 7.890 972 HG21 THR 53 HG21 THR 53 -16.422 33.034 7.477 973 HG22 THR 53 HG22 THR 53 -17.638 31.959 6.777 974 HG23 THR 53 HG23 THR 53 -15.922 31.550 6.637 975 H TYR 54 H TYR 54 -14.119 32.728 7.978 976 HA TYR 54 HA TYR 54 -12.362 30.949 6.743 977 HB2 TYR 54 HB2 TYR 54 -11.865 33.754 7.843 978 HB3 TYR 54 HB3 TYR 54 -10.686 32.877 6.911 979 HD1 TYR 54 HD2 TYR 54 -14.118 34.391 6.686 980 HD2 TYR 54 HD1 TYR 54 -10.785 32.648 4.570 981 HE1 TYR 54 HE2 TYR 54 -15.103 35.140 4.526 982 HE2 TYR 54 HE1 TYR 54 -11.773 33.399 2.403 983 HH TYR 54 HH TYR 54 -13.508 34.492 1.379 984 H LYS 55 H LYS 55 -11.694 32.759 9.789 985 HA LYS 55 HA LYS 55 -9.386 31.465 10.459 986 HB2 LYS 55 HB2 LYS 55 -10.154 33.671 11.171 987 HB3 LYS 55 HB3 LYS 55 -11.387 32.986 12.153 988 HG2 LYS 55 HG2 LYS 55 -9.489 33.140 13.713 989 HG3 LYS 55 HG3 LYS 55 -9.208 31.544 13.086 990 HD2 LYS 55 HD2 LYS 55 -8.007 32.862 11.091 991 HD3 LYS 55 HD3 LYS 55 -7.876 34.138 12.299 992 HE2 LYS 55 HE2 LYS 55 -6.806 32.527 13.898 993 HE3 LYS 55 HE3 LYS 55 -6.867 31.277 12.653 994 HZ1 LYS 55 HZ1 LYS 55 -5.363 33.837 12.435 995 HZ2 LYS 55 HZ2 LYS 55 -5.416 32.691 11.270 996 HZ3 LYS 55 HZ3 LYS 55 -4.696 32.373 12.701 997 H LYS 56 H LYS 56 -12.706 30.527 11.491 998 HA LYS 56 HA LYS 56 -11.955 28.151 12.954 999 HB2 LYS 56 HB2 LYS 56 -14.461 28.868 11.503 1000 HB3 LYS 56 HB3 LYS 56 -14.164 27.246 12.145 1001 HG2 LYS 56 HG2 LYS 56 -15.149 28.199 13.960 1002 HG3 LYS 56 HG3 LYS 56 -13.482 28.585 14.354 1003 HD2 LYS 56 HD2 LYS 56 -13.676 30.818 13.599 1004 HD3 LYS 56 HD3 LYS 56 -15.282 30.571 12.874 1005 HE2 LYS 56 HE2 LYS 56 -14.637 30.168 15.795 1006 HE3 LYS 56 HE3 LYS 56 -15.135 31.737 15.142 1007 HZ1 LYS 56 HZ1 LYS 56 -16.769 29.254 15.077 1008 HZ2 LYS 56 HZ2 LYS 56 -17.245 30.698 14.459 1009 HZ3 LYS 56 HZ3 LYS 56 -17.014 30.512 16.068 1010 H LEU 57 H LEU 57 -12.393 28.434 9.353 1011 HA LEU 57 HA LEU 57 -11.959 25.588 8.959 1012 HB2 LEU 57 HB2 LEU 57 -11.433 27.718 6.925 1013 HB3 LEU 57 HB3 LEU 57 -11.825 26.045 6.618 1014 HG LEU 57 HG LEU 57 -13.700 28.232 7.550 1015 HD11 LEU 57 HD11 LEU 57 -13.162 28.316 5.192 1016 HD12 LEU 57 HD12 LEU 57 -14.852 27.855 5.456 1017 HD13 LEU 57 HD13 LEU 57 -13.656 26.629 4.992 1018 HD21 LEU 57 HD21 LEU 57 -14.317 25.294 7.173 1019 HD22 LEU 57 HD22 LEU 57 -15.512 26.586 7.412 1020 HD23 LEU 57 HD23 LEU 57 -14.364 26.201 8.697 1021 H VAL 58 H VAL 58 -9.785 28.422 8.868 1022 HA VAL 58 HA VAL 58 -7.516 26.759 8.097 1023 HB VAL 58 HB VAL 58 -7.939 29.057 7.291 1024 HG11 VAL 58 HG11 VAL 58 -7.417 30.998 8.507 1025 HG12 VAL 58 HG12 VAL 58 -8.466 30.014 9.522 1026 HG13 VAL 58 HG13 VAL 58 -6.736 30.070 9.880 1027 HG21 VAL 58 HG21 VAL 58 -5.755 27.972 6.988 1028 HG22 VAL 58 HG22 VAL 58 -5.611 29.728 7.175 1029 HG23 VAL 58 HG23 VAL 58 -5.209 28.666 8.541 1030 H THR 59 H THR 59 -8.821 27.830 11.148 1031 HA THR 59 HA THR 59 -6.347 27.293 12.638 1032 HB THR 59 HB THR 59 -8.193 28.821 13.426 1033 HG1 THR 59 HG1 THR 59 -6.541 28.280 14.781 1034 HG21 THR 59 HG21 THR 59 -9.462 26.165 14.208 1035 HG22 THR 59 HG22 THR 59 -10.059 27.432 13.156 1036 HG23 THR 59 HG23 THR 59 -9.900 27.748 14.885 1037 H LEU 60 H LEU 60 -9.186 25.480 11.689 1038 HA LEU 60 HA LEU 60 -8.929 23.004 12.971 1039 HB2 LEU 60 HB2 LEU 60 -9.837 23.810 10.282 1040 HB3 LEU 60 HB3 LEU 60 -9.338 22.137 10.443 1041 HG LEU 60 HG LEU 60 -11.680 22.360 10.701 1042 HD11 LEU 60 HD11 LEU 60 -10.537 20.599 12.047 1043 HD12 LEU 60 HD12 LEU 60 -12.140 21.129 12.595 1044 HD13 LEU 60 HD13 LEU 60 -10.679 21.679 13.461 1045 HD21 LEU 60 HD21 LEU 60 -11.110 24.307 12.885 1046 HD22 LEU 60 HD22 LEU 60 -12.647 23.388 12.813 1047 HD23 LEU 60 HD23 LEU 60 -12.189 24.408 11.462 1048 H TYR 61 H TYR 61 -7.152 23.887 9.991 1049 HA TYR 61 HA TYR 61 -5.342 21.599 10.250 1050 HB2 TYR 61 HB2 TYR 61 -4.596 21.996 8.220 1051 HB3 TYR 61 HB3 TYR 61 -5.889 23.189 8.091 1052 HD1 TYR 61 HD1 TYR 61 -2.255 22.627 8.475 1053 HD2 TYR 61 HD2 TYR 61 -5.309 25.628 8.151 1054 HE1 TYR 61 HE1 TYR 61 -0.515 24.321 8.056 1055 HE2 TYR 61 HE2 TYR 61 -3.543 27.352 7.785 1056 HH TYR 61 HH TYR 61 -1.297 27.791 7.652 1057 H ASP 62 H ASP 62 -5.165 24.933 11.193 1058 HA ASP 62 HA ASP 62 -2.440 25.103 11.926 1059 HB2 ASP 62 HB2 ASP 62 -4.089 27.031 11.858 1060 HB3 ASP 62 HB3 ASP 62 -4.609 26.508 13.475 1061 H ARG 63 H ARG 63 -5.012 23.340 13.603 1062 HA ARG 63 HA ARG 63 -2.753 22.400 15.370 1063 HB2 ARG 63 HB2 ARG 63 -5.584 22.932 16.201 1064 HB3 ARG 63 HB3 ARG 63 -4.703 21.630 17.003 1065 HG2 ARG 63 HG2 ARG 63 -2.740 23.265 17.280 1066 HG3 ARG 63 HG3 ARG 63 -3.877 24.526 16.879 1067 HD2 ARG 63 HD2 ARG 63 -5.286 23.790 18.797 1068 HD3 ARG 63 HD3 ARG 63 -4.134 22.507 19.159 1069 HE ARG 63 HE ARG 63 -3.528 25.433 19.275 1070 HH11 ARG 63 HH11 ARG 63 -2.705 22.289 20.673 1071 HH12 ARG 63 HH12 ARG 63 -0.993 22.731 20.722 1072 HH21 ARG 63 HH22 ARG 63 -1.353 25.939 19.745 1073 HH22 ARG 63 HH21 ARG 63 -0.397 24.736 20.558 1074 H PHE 64 H PHE 64 -5.343 21.145 13.357 1075 HA PHE 64 HA PHE 64 -4.862 18.407 14.062 1076 HB2 PHE 64 HB2 PHE 64 -6.839 19.047 12.900 1077 HB3 PHE 64 HB3 PHE 64 -5.904 19.773 11.597 1078 HD1 PHE 64 HD1 PHE 64 -7.035 16.551 13.136 1079 HD2 PHE 64 HD2 PHE 64 -4.934 18.355 9.847 1080 HE1 PHE 64 HE1 PHE 64 -7.203 14.424 11.852 1081 HE2 PHE 64 HE2 PHE 64 -5.020 16.216 8.600 1082 HZ PHE 64 HZ PHE 64 -6.157 14.239 9.608 1083 H ARG 65 H ARG 65 -3.312 20.371 11.407 1084 HA ARG 65 HA ARG 65 -1.754 18.129 10.404 1085 HB2 ARG 65 HB2 ARG 65 -1.836 21.156 9.999 1086 HB3 ARG 65 HB3 ARG 65 -0.754 20.184 9.130 1087 HG2 ARG 65 HG2 ARG 65 -3.741 20.028 8.966 1088 HG3 ARG 65 HG3 ARG 65 -2.657 20.645 7.716 1089 HD2 ARG 65 HD2 ARG 65 -2.794 17.804 8.675 1090 HD3 ARG 65 HD3 ARG 65 -3.513 18.398 7.185 1091 HE ARG 65 HE ARG 65 -1.122 19.035 6.504 1092 HH11 ARG 65 HH12 ARG 65 -1.660 16.253 8.569 1093 HH12 ARG 65 HH11 ARG 65 -0.458 15.297 7.741 1094 HH21 ARG 65 HH22 ARG 65 0.530 17.815 5.633 1095 HH22 ARG 65 HH21 ARG 65 0.854 16.232 6.284 1096 H PHE 66 H PHE 66 -1.191 20.787 12.420 1097 HA PHE 66 HA PHE 66 1.683 20.231 12.829 1098 HB2 PHE 66 HB2 PHE 66 -0.132 22.408 13.897 1099 HB3 PHE 66 HB3 PHE 66 1.559 22.268 14.323 1100 HD1 PHE 66 HD1 PHE 66 3.190 21.919 12.125 1101 HD2 PHE 66 HD2 PHE 66 -0.598 23.970 12.222 1102 HE1 PHE 66 HE1 PHE 66 3.857 23.250 10.138 1103 HE2 PHE 66 HE2 PHE 66 0.087 25.334 10.266 1104 HZ PHE 66 HZ PHE 66 2.308 24.963 9.206 1105 H GLU 67 H GLU 67 -1.022 20.505 15.192 1106 HA GLU 67 HA GLU 67 0.888 19.753 17.322 1107 HB2 GLU 67 HB2 GLU 67 -1.681 21.340 17.140 1108 HB3 GLU 67 HB3 GLU 67 -1.161 20.714 18.689 1109 HG2 GLU 67 HG2 GLU 67 0.715 22.341 16.928 1110 HG3 GLU 67 HG3 GLU 67 -0.451 23.113 17.986 1111 H ASN 68 H ASN 68 -2.188 18.642 16.134 1112 HA ASN 68 HA ASN 68 -2.178 16.358 18.046 1113 HB2 ASN 68 HB2 ASN 68 -4.602 17.997 17.215 1114 HB3 ASN 68 HB3 ASN 68 -4.652 16.535 18.189 1115 HD21 ASN 68 HD21 ASN 68 -4.272 19.940 18.290 1116 HD22 ASN 68 HD22 ASN 68 -3.901 20.046 20.018 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -1.857 -8.655 4.847 2 H2 GLY 1 H2 GLY 1 -3.119 -9.697 4.929 3 H3 GLY 1 H3 GLY 1 -3.322 -8.125 5.348 4 HA2 GLY 1 HA2 GLY 1 -2.697 -9.104 2.638 5 HA3 GLY 1 HA3 GLY 1 -4.288 -8.540 3.179 6 H SER 2 H SER 2 -3.226 -7.370 0.995 7 HA SER 2 HA SER 2 -2.851 -4.571 1.827 8 HB2 SER 2 HB2 SER 2 -0.537 -5.590 1.640 9 HB3 SER 2 HB3 SER 2 -0.867 -5.868 -0.081 10 HG SER 2 HG SER 2 0.224 -3.865 0.345 11 H HIS 3 H HIS 3 -2.935 -3.107 -0.108 12 HA HIS 3 HA HIS 3 -4.232 -4.126 -2.520 13 HB2 HIS 3 HB2 HIS 3 -6.043 -3.725 -0.660 14 HB3 HIS 3 HB3 HIS 3 -5.787 -2.009 -0.981 15 HD1 HIS 3 HD1 HIS 3 -6.668 -1.131 -3.396 16 HD2 HIS 3 HD2 HIS 3 -7.139 -5.243 -2.600 17 HE1 HIS 3 HE1 HIS 3 -8.158 -2.069 -5.258 18 H MET 4 H MET 4 -4.671 -2.309 -4.089 19 HA MET 4 HA MET 4 -2.528 -0.272 -4.100 20 HB2 MET 4 HB2 MET 4 -4.710 -0.938 -6.117 21 HB3 MET 4 HB3 MET 4 -3.454 0.287 -6.340 22 HG2 MET 4 HG2 MET 4 -1.707 -1.456 -6.121 23 HG3 MET 4 HG3 MET 4 -2.961 -2.689 -5.947 24 HE1 MET 4 HE1 MET 4 -0.593 -2.893 -8.039 25 HE2 MET 4 HE2 MET 4 -1.869 -4.120 -7.860 26 HE3 MET 4 HE3 MET 4 -1.467 -3.482 -9.470 27 H ARG 5 H ARG 5 -2.908 1.956 -4.296 28 HA ARG 5 HA ARG 5 -5.540 3.033 -3.361 29 HB2 ARG 5 HB2 ARG 5 -3.215 3.090 -1.886 30 HB3 ARG 5 HB3 ARG 5 -3.052 4.578 -2.754 31 HG2 ARG 5 HG2 ARG 5 -5.338 5.271 -1.946 32 HG3 ARG 5 HG3 ARG 5 -5.424 3.846 -0.976 33 HD2 ARG 5 HD2 ARG 5 -4.847 5.493 0.500 34 HD3 ARG 5 HD3 ARG 5 -3.461 4.451 0.319 35 HE ARG 5 HE ARG 5 -3.584 6.939 -1.361 36 HH11 ARG 5 HH11 ARG 5 -1.964 5.344 1.304 37 HH12 ARG 5 HH12 ARG 5 -0.574 6.385 1.176 38 HH21 ARG 5 HH22 ARG 5 -1.875 8.241 -1.434 39 HH22 ARG 5 HH21 ARG 5 -0.533 8.011 -0.342 40 H MET 6 H MET 6 -6.195 4.968 -4.296 41 HA MET 6 HA MET 6 -4.526 6.023 -6.502 42 HB2 MET 6 HB2 MET 6 -7.540 5.958 -6.289 43 HB3 MET 6 HB3 MET 6 -6.634 6.523 -7.692 44 HG2 MET 6 HG2 MET 6 -6.643 3.676 -6.624 45 HG3 MET 6 HG3 MET 6 -7.561 4.251 -8.010 46 HE1 MET 6 HE1 MET 6 -6.592 4.847 -10.344 47 HE2 MET 6 HE2 MET 6 -5.509 6.088 -9.667 48 HE3 MET 6 HE3 MET 6 -4.863 4.844 -10.754 49 H SER 7 H SER 7 -4.886 6.986 -3.652 50 HA SER 7 HA SER 7 -5.213 8.728 -2.425 51 HB2 SER 7 HB2 SER 7 -3.612 9.967 -4.656 52 HB3 SER 7 HB3 SER 7 -3.874 10.763 -3.091 53 HG SER 7 HG SER 7 -1.942 9.341 -3.372 54 H LEU 8 H LEU 8 -5.619 10.936 -5.274 55 HA LEU 8 HA LEU 8 -8.410 11.438 -4.299 56 HB2 LEU 8 HB2 LEU 8 -6.861 13.779 -5.331 57 HB3 LEU 8 HB3 LEU 8 -8.229 13.706 -4.295 58 HG LEU 8 HG LEU 8 -5.566 12.714 -3.213 59 HD11 LEU 8 HD11 LEU 8 -5.100 14.941 -2.392 60 HD12 LEU 8 HD12 LEU 8 -6.480 15.602 -3.307 61 HD13 LEU 8 HD13 LEU 8 -5.080 14.898 -4.158 62 HD21 LEU 8 HD21 LEU 8 -7.705 12.365 -1.964 63 HD22 LEU 8 HD22 LEU 8 -7.968 14.128 -2.018 64 HD23 LEU 8 HD23 LEU 8 -6.584 13.455 -1.112 65 H ILE 9 H ILE 9 -9.247 10.091 -5.952 66 HA ILE 9 HA ILE 9 -8.710 10.567 -8.717 67 HB ILE 9 HB ILE 9 -11.234 9.304 -7.619 68 HG12 ILE 9 HG12 ILE 9 -8.497 7.989 -7.631 69 HG13 ILE 9 HG13 ILE 9 -9.462 8.347 -6.234 70 HG21 ILE 9 HG21 ILE 9 -10.960 9.592 -10.103 71 HG22 ILE 9 HG22 ILE 9 -9.490 8.601 -10.023 72 HG23 ILE 9 HG23 ILE 9 -11.075 7.905 -9.629 73 HD11 ILE 9 HD11 ILE 9 -10.039 6.254 -8.322 74 HD12 ILE 9 HD12 ILE 9 -9.833 6.103 -6.565 75 HD13 ILE 9 HD13 ILE 9 -11.288 6.868 -7.203 76 H GLY 10 H GLY 10 -11.154 11.752 -6.491 77 HA2 GLY 10 HA2 GLY 10 -12.384 13.839 -6.802 78 HA3 GLY 10 HA3 GLY 10 -12.245 13.667 -8.516 79 H GLU 11 H GLU 11 -13.110 10.604 -7.364 80 HA GLU 11 HA GLU 11 -15.979 11.184 -6.834 81 HB2 GLU 11 HB2 GLU 11 -15.114 9.031 -8.807 82 HB3 GLU 11 HB3 GLU 11 -16.749 9.339 -8.231 83 HG2 GLU 11 HG2 GLU 11 -16.685 11.611 -9.265 84 HG3 GLU 11 HG3 GLU 11 -15.093 11.240 -9.938 85 H ARG 12 H ARG 12 -13.610 8.527 -7.122 86 HA ARG 12 HA ARG 12 -13.110 6.715 -5.871 87 HB2 ARG 12 HB2 ARG 12 -13.609 8.154 -3.325 88 HB3 ARG 12 HB3 ARG 12 -12.472 6.947 -3.810 89 HG2 ARG 12 HG2 ARG 12 -11.032 8.625 -3.758 90 HG3 ARG 12 HG3 ARG 12 -11.464 8.699 -5.432 91 HD2 ARG 12 HD2 ARG 12 -11.352 10.953 -4.220 92 HD3 ARG 12 HD3 ARG 12 -12.816 10.633 -5.135 93 HE ARG 12 HE ARG 12 -14.065 10.837 -3.294 94 HH11 ARG 12 HH11 ARG 12 -10.819 10.395 -2.121 95 HH12 ARG 12 HH12 ARG 12 -11.307 10.565 -0.451 96 HH21 ARG 12 HH21 ARG 12 -14.588 11.096 -1.164 97 HH22 ARG 12 HH22 ARG 12 -13.447 10.691 0.085 98 H PHE 13 H PHE 13 -15.711 6.543 -6.736 99 HA PHE 13 HA PHE 13 -17.462 6.106 -4.448 100 HB2 PHE 13 HB2 PHE 13 -17.710 7.426 -6.821 101 HB3 PHE 13 HB3 PHE 13 -18.438 5.894 -7.239 102 HD1 PHE 13 HD2 PHE 13 -18.353 8.625 -4.707 103 HD2 PHE 13 HD1 PHE 13 -20.739 5.506 -6.484 104 HE1 PHE 13 HE2 PHE 13 -20.362 9.456 -3.466 105 HE2 PHE 13 HE1 PHE 13 -22.740 6.322 -5.236 106 HZ PHE 13 HZ PHE 13 -22.549 8.296 -3.732 107 H THR 14 H THR 14 -17.103 4.142 -3.612 108 HA THR 14 HA THR 14 -17.392 2.013 -3.130 109 HB THR 14 HB THR 14 -19.634 2.244 -3.317 110 HG1 THR 14 HG1 THR 14 -19.306 0.009 -4.979 111 HG21 THR 14 HG21 THR 14 -19.954 3.378 -5.412 112 HG22 THR 14 HG22 THR 14 -20.999 1.954 -5.333 113 HG23 THR 14 HG23 THR 14 -19.529 1.919 -6.334 114 H GLU 15 H GLU 15 -17.666 1.617 -6.696 115 HA GLU 15 HA GLU 15 -15.747 -0.552 -6.817 116 HB2 GLU 15 HB2 GLU 15 -16.861 1.386 -8.891 117 HB3 GLU 15 HB3 GLU 15 -15.789 0.023 -9.267 118 HG2 GLU 15 HG2 GLU 15 -17.459 -1.543 -8.265 119 HG3 GLU 15 HG3 GLU 15 -18.554 -0.186 -7.998 120 H GLU 16 H GLU 16 -15.490 2.995 -6.976 121 HA GLU 16 HA GLU 16 -12.555 2.794 -7.480 122 HB2 GLU 16 HB2 GLU 16 -14.205 5.317 -7.425 123 HB3 GLU 16 HB3 GLU 16 -12.577 5.113 -8.020 124 HG2 GLU 16 HG2 GLU 16 -15.120 3.986 -9.259 125 HG3 GLU 16 HG3 GLU 16 -14.161 5.327 -9.857 126 H GLU 17 H GLU 17 -14.408 2.626 -4.854 127 HA GLU 17 HA GLU 17 -13.188 4.442 -3.041 128 HB2 GLU 17 HB2 GLU 17 -15.386 3.240 -2.814 129 HB3 GLU 17 HB3 GLU 17 -14.490 1.796 -2.313 130 HG2 GLU 17 HG2 GLU 17 -13.636 2.997 -0.349 131 HG3 GLU 17 HG3 GLU 17 -14.311 4.509 -0.971 132 H GLN 18 H GLN 18 -11.756 1.608 -4.249 133 HA GLN 18 HA GLN 18 -10.274 0.433 -2.448 134 HB2 GLN 18 HB2 GLN 18 -8.520 -0.067 -3.882 135 HB3 GLN 18 HB3 GLN 18 -9.926 0.058 -4.917 136 HG2 GLN 18 HG2 GLN 18 -7.681 2.103 -4.661 137 HG3 GLN 18 HG3 GLN 18 -7.968 0.925 -5.959 138 HE21 GLN 18 HE22 GLN 18 -8.610 4.125 -4.994 139 HE22 GLN 18 HE21 GLN 18 -10.108 4.356 -5.909 140 H LYS 19 H LYS 19 -9.561 3.698 -3.306 141 HA LYS 19 HA LYS 19 -7.232 4.205 -1.779 142 HB2 LYS 19 HB2 LYS 19 -8.016 5.862 -3.302 143 HB3 LYS 19 HB3 LYS 19 -9.626 5.719 -2.738 144 HG2 LYS 19 HG2 LYS 19 -8.410 7.850 -2.332 145 HG3 LYS 19 HG3 LYS 19 -9.485 7.125 -1.136 146 HD2 LYS 19 HD2 LYS 19 -8.051 6.856 0.417 147 HD3 LYS 19 HD3 LYS 19 -6.728 6.424 -0.605 148 HE2 LYS 19 HE2 LYS 19 -6.434 8.535 0.824 149 HE3 LYS 19 HE3 LYS 19 -6.125 8.778 -0.877 150 HZ1 LYS 19 HZ1 LYS 19 -7.517 10.532 0.139 151 HZ2 LYS 19 HZ2 LYS 19 -8.738 9.458 0.362 152 HZ3 LYS 19 HZ3 LYS 19 -8.185 9.834 -1.161 153 H LEU 20 H LEU 20 -10.578 4.598 -0.807 154 HA LEU 20 HA LEU 20 -10.013 5.426 1.915 155 HB2 LEU 20 HB2 LEU 20 -12.591 4.663 0.474 156 HB3 LEU 20 HB3 LEU 20 -12.530 5.451 1.996 157 HG LEU 20 HG LEU 20 -13.126 7.138 0.698 158 HD11 LEU 20 HD11 LEU 20 -10.090 7.397 0.844 159 HD12 LEU 20 HD12 LEU 20 -11.268 7.763 2.105 160 HD13 LEU 20 HD13 LEU 20 -11.263 8.704 0.604 161 HD21 LEU 20 HD21 LEU 20 -13.072 6.202 -1.419 162 HD22 LEU 20 HD22 LEU 20 -11.341 6.030 -1.484 163 HD23 LEU 20 HD23 LEU 20 -12.057 7.650 -1.517 164 H LEU 21 H LEU 21 -10.980 2.573 0.202 165 HA LEU 21 HA LEU 21 -11.459 0.748 2.396 166 HB2 LEU 21 HB2 LEU 21 -12.070 -0.536 0.673 167 HB3 LEU 21 HB3 LEU 21 -11.308 0.523 -0.488 168 HG LEU 21 HG LEU 21 -9.163 -0.656 -0.210 169 HD11 LEU 21 HD11 LEU 21 -9.323 -3.069 0.824 170 HD12 LEU 21 HD12 LEU 21 -10.775 -2.488 1.659 171 HD13 LEU 21 HD13 LEU 21 -9.173 -1.800 1.981 172 HD21 LEU 21 HD21 LEU 21 -11.138 -2.786 -0.823 173 HD22 LEU 21 HD22 LEU 21 -9.442 -2.502 -1.345 174 HD23 LEU 21 HD23 LEU 21 -10.753 -1.459 -1.933 175 H LEU 22 H LEU 22 -8.410 1.692 0.525 176 HA LEU 22 HA LEU 22 -7.135 -0.531 1.737 177 HB2 LEU 22 HB2 LEU 22 -6.110 0.302 -0.244 178 HB3 LEU 22 HB3 LEU 22 -5.995 1.946 0.389 179 HG LEU 22 HG LEU 22 -4.279 1.189 2.053 180 HD11 LEU 22 HD11 LEU 22 -4.304 -1.445 0.554 181 HD12 LEU 22 HD12 LEU 22 -4.925 -1.225 2.203 182 HD13 LEU 22 HD13 LEU 22 -3.210 -0.974 1.861 183 HD21 LEU 22 HD21 LEU 22 -3.729 0.694 -0.871 184 HD22 LEU 22 HD22 LEU 22 -2.467 0.755 0.383 185 HD23 LEU 22 HD23 LEU 22 -3.480 2.170 0.091 186 H ASN 23 H ASN 23 -7.156 2.921 2.247 187 HA ASN 23 HA ASN 23 -5.605 3.444 4.498 188 HB2 ASN 23 HB2 ASN 23 -8.041 4.634 3.093 189 HB3 ASN 23 HB3 ASN 23 -7.554 5.331 4.546 190 HD21 ASN 23 HD21 ASN 23 -7.487 6.638 2.127 191 HD22 ASN 23 HD22 ASN 23 -5.807 6.945 1.704 192 H ILE 24 H ILE 24 -9.059 2.387 4.524 193 HA ILE 24 HA ILE 24 -9.005 2.523 7.495 194 HB ILE 24 HB ILE 24 -11.186 1.649 7.553 195 HG12 ILE 24 HG12 ILE 24 -10.947 1.136 4.598 196 HG13 ILE 24 HG13 ILE 24 -11.147 -0.033 5.860 197 HG21 ILE 24 HG21 ILE 24 -11.024 3.844 5.470 198 HG22 ILE 24 HG22 ILE 24 -12.383 3.496 6.552 199 HG23 ILE 24 HG23 ILE 24 -10.846 4.047 7.217 200 HD11 ILE 24 HD11 ILE 24 -13.226 1.992 4.939 201 HD12 ILE 24 HD12 ILE 24 -13.255 0.234 4.725 202 HD13 ILE 24 HD13 ILE 24 -13.423 0.924 6.354 203 H LEU 25 H LEU 25 -8.408 0.089 5.071 204 HA LEU 25 HA LEU 25 -8.731 -2.150 6.806 205 HB2 LEU 25 HB2 LEU 25 -9.076 -2.171 4.380 206 HB3 LEU 25 HB3 LEU 25 -7.364 -1.845 4.108 207 HG LEU 25 HG LEU 25 -6.770 -4.037 5.125 208 HD11 LEU 25 HD11 LEU 25 -8.661 -4.374 6.646 209 HD12 LEU 25 HD12 LEU 25 -8.607 -5.703 5.484 210 HD13 LEU 25 HD13 LEU 25 -9.797 -4.393 5.279 211 HD21 LEU 25 HD21 LEU 25 -7.163 -3.821 2.681 212 HD22 LEU 25 HD22 LEU 25 -8.863 -4.284 2.934 213 HD23 LEU 25 HD23 LEU 25 -7.559 -5.433 3.300 214 H ILE 26 H ILE 26 -5.946 -0.140 5.974 215 HA ILE 26 HA ILE 26 -3.958 -1.812 7.287 216 HB ILE 26 HB ILE 26 -2.428 0.051 6.966 217 HG12 ILE 26 HG12 ILE 26 -4.623 1.628 5.602 218 HG13 ILE 26 HG13 ILE 26 -4.279 1.844 7.316 219 HG21 ILE 26 HG21 ILE 26 -2.425 0.030 4.513 220 HG22 ILE 26 HG22 ILE 26 -2.783 -1.569 5.179 221 HG23 ILE 26 HG23 ILE 26 -4.087 -0.584 4.499 222 HD11 ILE 26 HD11 ILE 26 -2.303 2.297 5.051 223 HD12 ILE 26 HD12 ILE 26 -3.098 3.533 6.048 224 HD13 ILE 26 HD13 ILE 26 -1.928 2.415 6.789 225 H ASN 27 H ASN 27 -2.454 -0.353 8.870 226 HA ASN 27 HA ASN 27 -3.616 -0.972 11.325 227 HB2 ASN 27 HB2 ASN 27 -1.536 -0.115 12.289 228 HB3 ASN 27 HB3 ASN 27 -1.231 -1.115 10.875 229 HD21 ASN 27 HD21 ASN 27 -0.186 -0.115 9.025 230 HD22 ASN 27 HD22 ASN 27 0.349 1.552 9.109 231 H HIS 28 H HIS 28 -3.571 2.243 9.845 232 HA HIS 28 HA HIS 28 -5.715 2.966 11.674 233 HB2 HIS 28 HB2 HIS 28 -4.893 5.082 12.393 234 HB3 HIS 28 HB3 HIS 28 -3.725 3.864 12.869 235 HD1 HIS 28 HD1 HIS 28 -4.126 6.592 10.106 236 HD2 HIS 28 HD2 HIS 28 -1.236 4.373 12.223 237 HE1 HIS 28 HE1 HIS 28 -1.863 7.568 9.464 238 H GLU 29 H GLU 29 -7.019 4.734 10.920 239 HA GLU 29 HA GLU 29 -7.327 4.815 8.051 240 HB2 GLU 29 HB2 GLU 29 -9.093 6.449 8.469 241 HB3 GLU 29 HB3 GLU 29 -9.300 4.953 9.360 242 HG2 GLU 29 HG2 GLU 29 -8.022 7.352 10.718 243 HG3 GLU 29 HG3 GLU 29 -9.759 7.286 10.481 244 H TYR 30 H TYR 30 -7.178 6.591 6.617 245 HA TYR 30 HA TYR 30 -5.093 8.586 7.398 246 HB2 TYR 30 HB2 TYR 30 -4.139 6.584 6.260 247 HB3 TYR 30 HB3 TYR 30 -5.164 6.942 4.874 248 HD1 TYR 30 HD2 TYR 30 -3.283 9.589 6.819 249 HD2 TYR 30 HD1 TYR 30 -3.497 7.208 3.222 250 HE1 TYR 30 HE2 TYR 30 -1.533 10.975 5.797 251 HE2 TYR 30 HE1 TYR 30 -1.789 8.635 2.180 252 HH TYR 30 HH TYR 30 -0.330 10.407 2.460 253 H ALA 31 H ALA 31 -7.405 7.946 4.650 254 HA ALA 31 HA ALA 31 -7.343 9.931 3.113 255 HB1 ALA 31 HB1 ALA 31 -9.799 9.778 2.848 256 HB2 ALA 31 HB2 ALA 31 -8.965 8.207 2.983 257 HB3 ALA 31 HB3 ALA 31 -9.873 8.863 4.368 258 H ILE 32 H ILE 32 -9.150 10.423 6.176 259 HA ILE 32 HA ILE 32 -9.957 13.062 5.718 260 HB ILE 32 HB ILE 32 -9.597 11.358 8.198 261 HG12 ILE 32 HG12 ILE 32 -12.057 11.340 8.241 262 HG13 ILE 32 HG13 ILE 32 -12.118 12.329 6.778 263 HG21 ILE 32 HG21 ILE 32 -11.050 13.021 9.371 264 HG22 ILE 32 HG22 ILE 32 -9.446 13.661 8.976 265 HG23 ILE 32 HG23 ILE 32 -10.850 14.092 7.956 266 HD11 ILE 32 HD11 ILE 32 -11.340 10.499 5.441 267 HD12 ILE 32 HD12 ILE 32 -10.876 9.558 6.896 268 HD13 ILE 32 HD13 ILE 32 -12.581 9.847 6.515 269 H GLU 33 H GLU 33 -6.982 11.904 7.280 270 HA GLU 33 HA GLU 33 -5.970 14.415 8.165 271 HB2 GLU 33 HB2 GLU 33 -4.963 12.161 8.671 272 HB3 GLU 33 HB3 GLU 33 -4.297 12.141 7.021 273 HG2 GLU 33 HG2 GLU 33 -3.148 14.312 7.514 274 HG3 GLU 33 HG3 GLU 33 -3.744 14.229 9.173 275 H LEU 34 H LEU 34 -5.781 12.820 4.971 276 HA LEU 34 HA LEU 34 -4.328 14.873 3.633 277 HB2 LEU 34 HB2 LEU 34 -6.370 12.911 2.463 278 HB3 LEU 34 HB3 LEU 34 -5.243 13.910 1.570 279 HG LEU 34 HG LEU 34 -3.322 12.586 2.673 280 HD11 LEU 34 HD11 LEU 34 -5.711 11.172 3.789 281 HD12 LEU 34 HD12 LEU 34 -4.170 11.557 4.564 282 HD13 LEU 34 HD13 LEU 34 -4.281 10.250 3.382 283 HD21 LEU 34 HD21 LEU 34 -5.439 11.039 1.134 284 HD22 LEU 34 HD22 LEU 34 -3.698 10.665 1.196 285 HD23 LEU 34 HD23 LEU 34 -4.253 12.138 0.384 286 H LEU 35 H LEU 35 -7.891 14.355 4.077 287 HA LEU 35 HA LEU 35 -8.859 16.480 2.538 288 HB2 LEU 35 HB2 LEU 35 -10.144 14.726 3.857 289 HB3 LEU 35 HB3 LEU 35 -9.895 15.656 5.311 290 HG LEU 35 HG LEU 35 -11.449 16.715 2.944 291 HD11 LEU 35 HD11 LEU 35 -12.451 15.558 5.589 292 HD12 LEU 35 HD12 LEU 35 -12.420 14.637 4.080 293 HD13 LEU 35 HD13 LEU 35 -13.410 16.085 4.181 294 HD21 LEU 35 HD21 LEU 35 -11.193 17.672 5.814 295 HD22 LEU 35 HD22 LEU 35 -12.447 18.222 4.679 296 HD23 LEU 35 HD23 LEU 35 -10.762 18.573 4.340 297 H SER 36 H SER 36 -7.987 16.777 6.116 298 HA SER 36 HA SER 36 -8.396 19.601 6.079 299 HB2 SER 36 HB2 SER 36 -8.396 18.158 8.073 300 HB3 SER 36 HB3 SER 36 -6.632 18.024 7.954 301 HG SER 36 HG SER 36 -7.738 19.803 9.305 302 H SER 37 H SER 37 -5.456 17.687 5.461 303 HA SER 37 HA SER 37 -3.601 19.818 5.333 304 HB2 SER 37 HB2 SER 37 -3.409 17.129 5.083 305 HB3 SER 37 HB3 SER 37 -3.169 17.600 3.397 306 HG SER 37 HG SER 37 -1.437 18.877 4.040 307 H GLU 38 H GLU 38 -5.684 18.353 2.959 308 HA GLU 38 HA GLU 38 -4.803 19.761 0.587 309 HB2 GLU 38 HB2 GLU 38 -7.103 17.905 1.282 310 HB3 GLU 38 HB3 GLU 38 -7.111 18.694 -0.237 311 HG2 GLU 38 HG2 GLU 38 -4.864 16.902 0.750 312 HG3 GLU 38 HG3 GLU 38 -6.123 16.451 -0.395 313 H ILE 39 H ILE 39 -7.764 20.167 2.627 314 HA ILE 39 HA ILE 39 -8.818 22.311 1.036 315 HB ILE 39 HB ILE 39 -10.119 22.930 2.995 316 HG12 ILE 39 HG12 ILE 39 -10.025 20.871 4.803 317 HG13 ILE 39 HG13 ILE 39 -8.327 21.108 4.440 318 HG21 ILE 39 HG21 ILE 39 -11.496 20.862 3.038 319 HG22 ILE 39 HG22 ILE 39 -10.956 21.233 1.394 320 HG23 ILE 39 HG23 ILE 39 -10.136 19.962 2.334 321 HD11 ILE 39 HD11 ILE 39 -10.305 23.189 5.477 322 HD12 ILE 39 HD12 ILE 39 -8.956 22.450 6.370 323 HD13 ILE 39 HD13 ILE 39 -8.640 23.575 5.040 324 H ASN 40 H ASN 40 -6.668 22.281 3.909 325 HA ASN 40 HA ASN 40 -6.440 25.168 3.772 326 HB2 ASN 40 HB2 ASN 40 -5.084 25.169 5.528 327 HB3 ASN 40 HB3 ASN 40 -5.931 23.650 5.800 328 HD21 ASN 40 HD21 ASN 40 -4.719 21.764 5.758 329 HD22 ASN 40 HD22 ASN 40 -2.967 21.760 5.554 330 H ASP 41 H ASP 41 -4.673 22.681 1.968 331 HA ASP 41 HA ASP 41 -2.556 24.473 1.119 332 HB2 ASP 41 HB2 ASP 41 -2.634 21.895 0.996 333 HB3 ASP 41 HB3 ASP 41 -3.599 22.106 -0.464 334 H ILE 42 H ILE 42 -5.890 23.970 0.139 335 HA ILE 42 HA ILE 42 -5.613 25.841 -2.173 336 HB ILE 42 HB ILE 42 -7.957 24.331 -1.015 337 HG12 ILE 42 HG12 ILE 42 -8.063 23.492 -3.390 338 HG13 ILE 42 HG13 ILE 42 -6.618 24.408 -3.771 339 HG21 ILE 42 HG21 ILE 42 -9.353 25.317 -2.833 340 HG22 ILE 42 HG22 ILE 42 -8.892 26.512 -1.629 341 HG23 ILE 42 HG23 ILE 42 -8.047 26.466 -3.196 342 HD11 ILE 42 HD11 ILE 42 -5.324 22.968 -2.150 343 HD12 ILE 42 HD12 ILE 42 -6.844 22.146 -1.759 344 HD13 ILE 42 HD13 ILE 42 -6.132 21.997 -3.369 345 H GLU 43 H GLU 43 -7.112 25.926 1.046 346 HA GLU 43 HA GLU 43 -8.227 28.515 0.865 347 HB2 GLU 43 HB2 GLU 43 -8.574 26.641 2.615 348 HB3 GLU 43 HB3 GLU 43 -7.178 27.281 3.444 349 HG2 GLU 43 HG2 GLU 43 -9.160 28.158 4.483 350 HG3 GLU 43 HG3 GLU 43 -8.321 29.483 3.691 351 H THR 44 H THR 44 -5.094 27.571 2.198 352 HA THR 44 HA THR 44 -4.201 30.440 2.189 353 HB THR 44 HB THR 44 -4.722 29.821 4.447 354 HG1 THR 44 HG1 THR 44 -2.761 30.394 5.331 355 HG21 THR 44 HG21 THR 44 -3.341 28.180 5.693 356 HG22 THR 44 HG22 THR 44 -2.662 27.595 4.159 357 HG23 THR 44 HG23 THR 44 -4.400 27.423 4.505 358 H GLY 45 H GLY 45 -3.100 27.029 1.777 359 HA2 GLY 45 HA2 GLY 45 -0.466 27.670 0.894 360 HA3 GLY 45 HA3 GLY 45 -1.398 26.251 0.413 361 H THR 46 H THR 46 -3.513 28.131 -0.733 362 HA THR 46 HA THR 46 -4.155 29.051 -2.636 363 HB THR 46 HB THR 46 -1.508 30.457 -2.987 364 HG1 THR 46 HG1 THR 46 -2.164 30.603 -0.786 365 HG21 THR 46 HG21 THR 46 -4.432 31.282 -3.344 366 HG22 THR 46 HG22 THR 46 -3.306 30.917 -4.667 367 HG23 THR 46 HG23 THR 46 -3.019 32.323 -3.634 368 H LYS 47 H LYS 47 -3.359 26.483 -2.934 369 HA LYS 47 HA LYS 47 -2.287 26.043 -5.612 370 HB2 LYS 47 HB2 LYS 47 -4.405 24.541 -4.013 371 HB3 LYS 47 HB3 LYS 47 -3.734 23.995 -5.533 372 HG2 LYS 47 HG2 LYS 47 -2.312 24.257 -2.871 373 HG3 LYS 47 HG3 LYS 47 -2.729 22.779 -3.712 374 HD2 LYS 47 HD2 LYS 47 -0.637 24.825 -4.569 375 HD3 LYS 47 HD3 LYS 47 -0.339 23.247 -3.844 376 HE2 LYS 47 HE2 LYS 47 -1.420 22.132 -5.792 377 HE3 LYS 47 HE3 LYS 47 -1.664 23.708 -6.555 378 HZ1 LYS 47 HZ1 LYS 47 0.358 22.636 -7.369 379 HZ2 LYS 47 HZ2 LYS 47 0.981 22.537 -5.865 380 HZ3 LYS 47 HZ3 LYS 47 0.764 23.998 -6.566 381 H ASN 48 H ASN 48 -3.353 26.120 -7.602 382 HA ASN 48 HA ASN 48 -6.089 27.247 -7.734 383 HB2 ASN 48 HB2 ASN 48 -4.602 29.200 -7.484 384 HB3 ASN 48 HB3 ASN 48 -3.610 28.641 -8.831 385 HD21 ASN 48 HD21 ASN 48 -4.083 29.691 -10.742 386 HD22 ASN 48 HD22 ASN 48 -5.674 30.317 -11.150 387 H VAL 49 H VAL 49 -7.199 26.343 -9.283 388 HA VAL 49 HA VAL 49 -6.311 25.688 -11.935 389 HB VAL 49 HB VAL 49 -5.242 23.805 -10.886 390 HG11 VAL 49 HG11 VAL 49 -6.414 23.661 -8.757 391 HG12 VAL 49 HG12 VAL 49 -7.884 23.107 -9.593 392 HG13 VAL 49 HG13 VAL 49 -6.418 22.098 -9.576 393 HG21 VAL 49 HG21 VAL 49 -6.164 21.904 -11.957 394 HG22 VAL 49 HG22 VAL 49 -7.778 22.611 -12.028 395 HG23 VAL 49 HG23 VAL 49 -6.455 23.294 -13.019 396 H ASP 50 H ASP 50 -8.173 24.501 -13.075 397 HA ASP 50 HA ASP 50 -10.822 25.554 -12.589 398 HB2 ASP 50 HB2 ASP 50 -9.690 24.829 -14.774 399 HB3 ASP 50 HB3 ASP 50 -9.934 23.165 -14.250 400 H GLY 51 H GLY 51 -12.609 23.495 -12.726 401 HA2 GLY 51 HA2 GLY 51 -13.164 22.762 -10.202 402 HA3 GLY 51 HA3 GLY 51 -13.730 21.849 -11.585 403 H THR 52 H THR 52 -10.554 21.222 -11.776 404 HA THR 52 HA THR 52 -10.529 18.564 -10.852 405 HB THR 52 HB THR 52 -8.263 20.599 -10.997 406 HG1 THR 52 HG1 THR 52 -7.957 19.662 -13.044 407 HG21 THR 52 HG21 THR 52 -6.798 18.661 -11.263 408 HG22 THR 52 HG22 THR 52 -8.195 17.562 -11.090 409 HG23 THR 52 HG23 THR 52 -7.653 18.554 -9.715 410 H THR 53 H THR 53 -8.927 21.352 -9.077 411 HA THR 53 HA THR 53 -8.652 19.801 -6.741 412 HB THR 53 HB THR 53 -7.300 21.777 -7.391 413 HG1 THR 53 HG1 THR 53 -6.913 22.251 -5.288 414 HG21 THR 53 HG21 THR 53 -9.429 23.453 -5.988 415 HG22 THR 53 HG22 THR 53 -9.230 23.424 -7.754 416 HG23 THR 53 HG23 THR 53 -7.913 24.003 -6.719 417 H TYR 54 H TYR 54 -11.202 22.133 -7.595 418 HA TYR 54 HA TYR 54 -12.751 22.218 -5.249 419 HB2 TYR 54 HB2 TYR 54 -13.567 21.968 -8.176 420 HB3 TYR 54 HB3 TYR 54 -14.715 22.218 -6.892 421 HD1 TYR 54 HD2 TYR 54 -11.832 23.837 -8.658 422 HD2 TYR 54 HD1 TYR 54 -15.047 24.313 -5.817 423 HE1 TYR 54 HE2 TYR 54 -11.492 26.294 -8.699 424 HE2 TYR 54 HE1 TYR 54 -14.701 26.790 -5.855 425 HH TYR 54 HH TYR 54 -12.180 28.328 -7.893 426 H LYS 55 H LYS 55 -13.039 19.841 -7.957 427 HA LYS 55 HA LYS 55 -14.821 18.179 -6.722 428 HB2 LYS 55 HB2 LYS 55 -14.403 18.428 -9.112 429 HB3 LYS 55 HB3 LYS 55 -12.860 17.684 -8.974 430 HG2 LYS 55 HG2 LYS 55 -14.343 15.767 -9.450 431 HG3 LYS 55 HG3 LYS 55 -14.411 15.755 -7.714 432 HD2 LYS 55 HD2 LYS 55 -16.280 17.642 -8.083 433 HD3 LYS 55 HD3 LYS 55 -16.408 16.891 -9.674 434 HE2 LYS 55 HE2 LYS 55 -16.725 14.646 -8.600 435 HE3 LYS 55 HE3 LYS 55 -16.678 15.414 -7.013 436 HZ1 LYS 55 HZ1 LYS 55 -18.668 16.694 -7.656 437 HZ2 LYS 55 HZ2 LYS 55 -18.965 15.092 -7.768 438 HZ3 LYS 55 HZ3 LYS 55 -18.706 15.967 -9.119 439 H LYS 56 H LYS 56 -11.242 17.878 -6.667 440 HA LYS 56 HA LYS 56 -11.077 15.533 -5.021 441 HB2 LYS 56 HB2 LYS 56 -9.211 17.815 -5.478 442 HB3 LYS 56 HB3 LYS 56 -8.926 16.634 -4.196 443 HG2 LYS 56 HG2 LYS 56 -7.824 15.681 -5.968 444 HG3 LYS 56 HG3 LYS 56 -9.362 14.804 -5.982 445 HD2 LYS 56 HD2 LYS 56 -10.184 16.171 -7.841 446 HD3 LYS 56 HD3 LYS 56 -8.619 17.037 -7.907 447 HE2 LYS 56 HE2 LYS 56 -7.447 14.946 -8.356 448 HE3 LYS 56 HE3 LYS 56 -8.905 14.009 -8.035 449 HZ1 LYS 56 HZ1 LYS 56 -8.558 14.184 -10.391 450 HZ2 LYS 56 HZ2 LYS 56 -8.546 15.815 -10.356 451 HZ3 LYS 56 HZ3 LYS 56 -9.923 14.982 -10.018 452 H LEU 57 H LEU 57 -11.469 18.943 -3.840 453 HA LEU 57 HA LEU 57 -11.432 18.063 -1.054 454 HB2 LEU 57 HB2 LEU 57 -12.505 20.660 -2.136 455 HB3 LEU 57 HB3 LEU 57 -12.029 20.329 -0.490 456 HG LEU 57 HG LEU 57 -10.158 20.535 -2.885 457 HD11 LEU 57 HD11 LEU 57 -10.629 22.357 -0.503 458 HD12 LEU 57 HD12 LEU 57 -11.019 22.686 -2.200 459 HD13 LEU 57 HD13 LEU 57 -9.331 22.529 -1.695 460 HD21 LEU 57 HD21 LEU 57 -9.250 18.897 -1.367 461 HD22 LEU 57 HD22 LEU 57 -9.521 19.970 0.020 462 HD23 LEU 57 HD23 LEU 57 -8.342 20.405 -1.236 463 H VAL 58 H VAL 58 -14.058 18.825 -3.364 464 HA VAL 58 HA VAL 58 -16.095 18.427 -1.333 465 HB VAL 58 HB VAL 58 -16.206 19.992 -3.304 466 HG11 VAL 58 HG11 VAL 58 -16.864 19.292 -5.430 467 HG12 VAL 58 HG12 VAL 58 -15.626 18.128 -4.942 468 HG13 VAL 58 HG13 VAL 58 -17.323 17.652 -4.875 469 HG21 VAL 58 HG21 VAL 58 -18.131 19.628 -1.896 470 HG22 VAL 58 HG22 VAL 58 -18.630 19.783 -3.585 471 HG23 VAL 58 HG23 VAL 58 -18.586 18.175 -2.828 472 H THR 59 H THR 59 -14.445 16.281 -3.553 473 HA THR 59 HA THR 59 -16.406 14.121 -3.288 474 HB THR 59 HB THR 59 -14.814 14.229 -5.212 475 HG1 THR 59 HG1 THR 59 -15.940 12.343 -4.716 476 HG21 THR 59 HG21 THR 59 -12.793 13.274 -3.137 477 HG22 THR 59 HG22 THR 59 -12.733 14.642 -4.232 478 HG23 THR 59 HG23 THR 59 -12.646 13.012 -4.872 479 H LEU 60 H LEU 60 -13.404 15.086 -1.673 480 HA LEU 60 HA LEU 60 -13.014 13.043 0.169 481 HB2 LEU 60 HB2 LEU 60 -12.529 15.924 0.256 482 HB3 LEU 60 HB3 LEU 60 -12.871 15.260 1.833 483 HG LEU 60 HG LEU 60 -10.540 15.294 1.507 484 HD11 LEU 60 HD11 LEU 60 -11.136 12.354 1.136 485 HD12 LEU 60 HD12 LEU 60 -11.407 13.204 2.667 486 HD13 LEU 60 HD13 LEU 60 -9.779 13.138 1.982 487 HD21 LEU 60 HD21 LEU 60 -11.032 13.819 -1.052 488 HD22 LEU 60 HD22 LEU 60 -9.420 14.005 -0.269 489 HD23 LEU 60 HD23 LEU 60 -10.330 15.433 -0.777 490 H TYR 61 H TYR 61 -15.337 15.685 0.690 491 HA TYR 61 HA TYR 61 -16.637 14.323 2.934 492 HB2 TYR 61 HB2 TYR 61 -17.628 16.230 3.400 493 HB3 TYR 61 HB3 TYR 61 -16.684 16.900 2.083 494 HD1 TYR 61 HD2 TYR 61 -20.075 15.758 3.118 495 HD2 TYR 61 HD1 TYR 61 -17.783 17.627 0.005 496 HE1 TYR 61 HE2 TYR 61 -22.141 16.721 2.209 497 HE2 TYR 61 HE1 TYR 61 -19.886 18.585 -0.927 498 HH TYR 61 HH TYR 61 -23.077 18.030 0.567 499 H ASP 62 H ASP 62 -17.300 14.440 -0.440 500 HA ASP 62 HA ASP 62 -19.851 13.184 -0.498 501 HB2 ASP 62 HB2 ASP 62 -18.602 14.252 -2.473 502 HB3 ASP 62 HB3 ASP 62 -17.808 12.674 -2.651 503 H ARG 63 H ARG 63 -16.714 11.723 0.223 504 HA ARG 63 HA ARG 63 -18.413 9.299 0.838 505 HB2 ARG 63 HB2 ARG 63 -15.415 9.106 0.571 506 HB3 ARG 63 HB3 ARG 63 -16.580 7.839 0.958 507 HG2 ARG 63 HG2 ARG 63 -16.239 9.114 -1.734 508 HG3 ARG 63 HG3 ARG 63 -15.782 7.488 -1.157 509 HD2 ARG 63 HD2 ARG 63 -18.639 8.199 -0.981 510 HD3 ARG 63 HD3 ARG 63 -17.953 7.883 -2.586 511 HE ARG 63 HE ARG 63 -17.225 5.802 -0.682 512 HH11 ARG 63 HH11 ARG 63 -19.874 6.702 -2.842 513 HH12 ARG 63 HH12 ARG 63 -20.568 5.115 -2.712 514 HH21 ARG 63 HH21 ARG 63 -18.121 3.941 -0.594 515 HH22 ARG 63 HH22 ARG 63 -19.672 3.604 -1.354 516 H PHE 64 H PHE 64 -16.042 11.503 2.347 517 HA PHE 64 HA PHE 64 -15.786 9.976 4.713 518 HB2 PHE 64 HB2 PHE 64 -14.194 11.658 4.312 519 HB3 PHE 64 HB3 PHE 64 -15.436 12.870 4.020 520 HD1 PHE 64 HD1 PHE 64 -14.747 10.490 6.891 521 HD2 PHE 64 HD2 PHE 64 -15.396 14.557 5.645 522 HE1 PHE 64 HE1 PHE 64 -14.587 11.237 9.248 523 HE2 PHE 64 HE2 PHE 64 -15.284 15.310 8.018 524 HZ PHE 64 HZ PHE 64 -14.803 13.632 9.813 525 H ARG 65 H ARG 65 -18.100 12.681 4.088 526 HA ARG 65 HA ARG 65 -19.159 12.686 6.785 527 HB2 ARG 65 HB2 ARG 65 -19.827 13.882 4.065 528 HB3 ARG 65 HB3 ARG 65 -20.858 14.189 5.387 529 HG2 ARG 65 HG2 ARG 65 -17.914 14.880 5.347 530 HG3 ARG 65 HG3 ARG 65 -19.212 16.038 5.025 531 HD2 ARG 65 HD2 ARG 65 -18.860 14.577 7.610 532 HD3 ARG 65 HD3 ARG 65 -18.284 16.208 7.305 533 HE ARG 65 HE ARG 65 -20.539 17.011 7.174 534 HH11 ARG 65 HH22 ARG 65 -20.591 13.657 8.268 535 HH12 ARG 65 HH21 ARG 65 -22.070 13.921 9.137 536 HH21 ARG 65 HH11 ARG 65 -22.291 17.251 8.300 537 HH22 ARG 65 HH12 ARG 65 -23.064 15.900 9.104 538 H PHE 66 H PHE 66 -19.950 11.293 3.904 539 HA PHE 66 HA PHE 66 -22.581 10.151 4.690 540 HB2 PHE 66 HB2 PHE 66 -21.118 10.220 2.035 541 HB3 PHE 66 HB3 PHE 66 -22.695 9.502 2.268 542 HD1 PHE 66 HD2 PHE 66 -24.454 11.183 3.562 543 HD2 PHE 66 HD1 PHE 66 -21.078 12.372 1.161 544 HE1 PHE 66 HE2 PHE 66 -25.527 13.383 3.138 545 HE2 PHE 66 HE1 PHE 66 -22.168 14.550 0.701 546 HZ PHE 66 HZ PHE 66 -24.390 15.069 1.703 547 H GLU 67 H GLU 67 -19.673 8.688 3.189 548 HA GLU 67 HA GLU 67 -20.978 6.041 3.320 549 HB2 GLU 67 HB2 GLU 67 -18.709 7.142 1.532 550 HB3 GLU 67 HB3 GLU 67 -19.287 5.508 1.534 551 HG2 GLU 67 HG2 GLU 67 -21.082 7.937 1.077 552 HG3 GLU 67 HG3 GLU 67 -20.352 7.044 -0.210 553 H ASN 68 H ASN 68 -17.881 7.431 4.067 554 HA ASN 68 HA ASN 68 -16.593 4.904 4.734 555 HB2 ASN 68 HB2 ASN 68 -15.603 7.715 5.350 556 HB3 ASN 68 HB3 ASN 68 -14.641 6.240 5.326 557 HD21 ASN 68 HD21 ASN 68 -15.697 5.123 2.864 558 HD22 ASN 68 HD22 ASN 68 -15.317 6.206 1.559 559 H1 GLY 1 H1 GLY 1 -20.372 17.389 27.515 560 H2 GLY 1 H2 GLY 1 -21.657 17.103 28.489 561 H3 GLY 1 H3 GLY 1 -21.833 17.021 26.862 562 HA2 GLY 1 HA2 GLY 1 -21.776 14.802 27.802 563 HA3 GLY 1 HA3 GLY 1 -20.394 15.098 26.730 564 H SER 2 H SER 2 -18.747 13.909 27.654 565 HA SER 2 HA SER 2 -18.254 13.604 30.443 566 HB2 SER 2 HB2 SER 2 -16.232 13.481 28.174 567 HB3 SER 2 HB3 SER 2 -16.097 12.710 29.762 568 HG SER 2 HG SER 2 -17.869 11.389 29.224 569 H HIS 3 H HIS 3 -17.521 16.250 28.334 570 HA HIS 3 HA HIS 3 -16.572 17.857 30.578 571 HB2 HIS 3 HB2 HIS 3 -14.532 16.830 29.330 572 HB3 HIS 3 HB3 HIS 3 -14.951 17.895 27.985 573 HD1 HIS 3 HD1 HIS 3 -14.202 18.249 31.815 574 HD2 HIS 3 HD2 HIS 3 -13.866 20.247 28.136 575 HE1 HIS 3 HE1 HIS 3 -12.977 20.432 32.303 576 H MET 4 H MET 4 -16.279 20.252 29.579 577 HA MET 4 HA MET 4 -18.707 20.916 28.022 578 HB2 MET 4 HB2 MET 4 -18.030 22.194 30.075 579 HB3 MET 4 HB3 MET 4 -16.598 22.765 29.206 580 HG2 MET 4 HG2 MET 4 -18.051 23.860 27.530 581 HG3 MET 4 HG3 MET 4 -19.484 23.196 28.329 582 HE1 MET 4 HE1 MET 4 -19.399 26.151 27.565 583 HE2 MET 4 HE2 MET 4 -20.719 25.470 28.541 584 HE3 MET 4 HE3 MET 4 -19.921 26.973 29.052 585 H ARG 5 H ARG 5 -18.659 21.945 25.994 586 HA ARG 5 HA ARG 5 -16.062 22.007 24.505 587 HB2 ARG 5 HB2 ARG 5 -17.973 20.109 24.084 588 HB3 ARG 5 HB3 ARG 5 -18.573 21.345 23.020 589 HG2 ARG 5 HG2 ARG 5 -16.303 21.434 21.923 590 HG3 ARG 5 HG3 ARG 5 -15.785 20.099 22.896 591 HD2 ARG 5 HD2 ARG 5 -16.287 19.197 20.838 592 HD3 ARG 5 HD3 ARG 5 -17.439 18.599 21.996 593 HE ARG 5 HE ARG 5 -18.149 20.961 20.251 594 HH11 ARG 5 HH11 ARG 5 -18.961 17.670 21.141 595 HH12 ARG 5 HH12 ARG 5 -20.547 17.798 20.434 596 HH21 ARG 5 HH21 ARG 5 -20.105 21.055 19.375 597 HH22 ARG 5 HH22 ARG 5 -21.177 19.679 19.437 598 H MET 6 H MET 6 -15.886 23.590 22.904 599 HA MET 6 HA MET 6 -18.032 25.621 22.862 600 HB2 MET 6 HB2 MET 6 -15.059 26.061 22.512 601 HB3 MET 6 HB3 MET 6 -16.281 27.335 22.585 602 HG2 MET 6 HG2 MET 6 -15.610 25.438 24.861 603 HG3 MET 6 HG3 MET 6 -15.008 27.088 24.688 604 HE1 MET 6 HE1 MET 6 -17.311 27.482 27.759 605 HE2 MET 6 HE2 MET 6 -16.327 26.058 27.355 606 HE3 MET 6 HE3 MET 6 -15.686 27.694 27.076 607 H SER 7 H SER 7 -17.407 23.359 20.968 608 HA SER 7 HA SER 7 -17.124 22.849 18.854 609 HB2 SER 7 HB2 SER 7 -19.284 24.942 18.643 610 HB3 SER 7 HB3 SER 7 -18.890 23.792 17.345 611 HG SER 7 HG SER 7 -20.572 23.190 18.962 612 H LEU 8 H LEU 8 -17.606 26.262 17.707 613 HA LEU 8 HA LEU 8 -14.795 26.114 16.685 614 HB2 LEU 8 HB2 LEU 8 -16.771 27.347 14.827 615 HB3 LEU 8 HB3 LEU 8 -15.250 26.629 14.538 616 HG LEU 8 HG LEU 8 -17.490 24.761 15.385 617 HD11 LEU 8 HD11 LEU 8 -18.499 26.088 13.600 618 HD12 LEU 8 HD12 LEU 8 -18.149 24.424 13.109 619 HD13 LEU 8 HD13 LEU 8 -17.096 25.758 12.555 620 HD21 LEU 8 HD21 LEU 8 -15.093 24.054 15.134 621 HD22 LEU 8 HD22 LEU 8 -15.182 24.585 13.437 622 HD23 LEU 8 HD23 LEU 8 -16.196 23.231 13.996 623 H ILE 9 H ILE 9 -14.056 27.490 18.294 624 HA ILE 9 HA ILE 9 -15.218 30.072 18.758 625 HB ILE 9 HB ILE 9 -12.348 29.351 19.383 626 HG12 ILE 9 HG12 ILE 9 -14.739 28.302 20.933 627 HG13 ILE 9 HG13 ILE 9 -13.625 27.324 20.025 628 HG21 ILE 9 HG21 ILE 9 -14.453 30.884 20.967 629 HG22 ILE 9 HG22 ILE 9 -12.718 30.769 21.335 630 HG23 ILE 9 HG23 ILE 9 -13.250 31.635 19.900 631 HD11 ILE 9 HD11 ILE 9 -11.759 28.153 21.492 632 HD12 ILE 9 HD12 ILE 9 -13.012 28.832 22.566 633 HD13 ILE 9 HD13 ILE 9 -12.954 27.088 22.247 634 H GLY 10 H GLY 10 -12.570 28.881 16.768 635 HA2 GLY 10 HA2 GLY 10 -11.798 29.996 14.729 636 HA3 GLY 10 HA3 GLY 10 -12.172 31.542 15.445 637 H GLU 11 H GLU 11 -10.763 29.783 17.924 638 HA GLU 11 HA GLU 11 -7.924 30.041 17.052 639 HB2 GLU 11 HB2 GLU 11 -7.492 30.607 19.564 640 HB3 GLU 11 HB3 GLU 11 -7.726 31.870 18.365 641 HG2 GLU 11 HG2 GLU 11 -10.112 30.925 19.977 642 HG3 GLU 11 HG3 GLU 11 -8.891 31.919 20.748 643 H ARG 12 H ARG 12 -9.715 29.063 19.974 644 HA ARG 12 HA ARG 12 -9.688 27.187 21.233 645 HB2 ARG 12 HB2 ARG 12 -9.195 25.322 19.005 646 HB3 ARG 12 HB3 ARG 12 -10.204 25.281 20.424 647 HG2 ARG 12 HG2 ARG 12 -11.896 25.485 19.086 648 HG3 ARG 12 HG3 ARG 12 -11.577 27.193 19.165 649 HD2 ARG 12 HD2 ARG 12 -11.899 26.499 16.827 650 HD3 ARG 12 HD3 ARG 12 -10.247 27.050 17.049 651 HE ARG 12 HE ARG 12 -11.154 24.200 16.804 652 HH11 ARG 12 HH11 ARG 12 -8.503 26.474 16.461 653 HH12 ARG 12 HH12 ARG 12 -7.645 25.388 15.402 654 HH21 ARG 12 HH22 ARG 12 -9.765 22.757 15.749 655 HH22 ARG 12 HH21 ARG 12 -8.210 23.321 15.237 656 H PHE 13 H PHE 13 -7.268 28.527 21.082 657 HA PHE 13 HA PHE 13 -4.887 26.955 20.851 658 HB2 PHE 13 HB2 PHE 13 -5.646 29.302 22.638 659 HB3 PHE 13 HB3 PHE 13 -4.020 28.732 22.372 660 HD1 PHE 13 HD2 PHE 13 -4.998 28.337 19.145 661 HD2 PHE 13 HD1 PHE 13 -4.703 31.534 22.030 662 HE1 PHE 13 HE2 PHE 13 -4.765 29.980 17.308 663 HE2 PHE 13 HE1 PHE 13 -4.490 33.175 20.179 664 HZ PHE 13 HZ PHE 13 -4.517 32.399 17.816 665 H THR 14 H THR 14 -3.540 26.254 22.735 666 HA THR 14 HA THR 14 -4.434 24.196 24.154 667 HB THR 14 HB THR 14 -2.122 24.876 23.998 668 HG1 THR 14 HG1 THR 14 -1.513 24.063 25.982 669 HG21 THR 14 HG21 THR 14 -2.551 26.694 26.401 670 HG22 THR 14 HG22 THR 14 -2.343 27.282 24.733 671 HG23 THR 14 HG23 THR 14 -1.044 26.382 25.525 672 H GLU 15 H GLU 15 -4.759 27.479 25.692 673 HA GLU 15 HA GLU 15 -6.090 26.394 28.042 674 HB2 GLU 15 HB2 GLU 15 -5.956 29.228 26.940 675 HB3 GLU 15 HB3 GLU 15 -6.623 28.772 28.513 676 HG2 GLU 15 HG2 GLU 15 -4.399 27.802 29.146 677 HG3 GLU 15 HG3 GLU 15 -3.733 28.399 27.624 678 H GLU 16 H GLU 16 -7.221 27.599 24.982 679 HA GLU 16 HA GLU 16 -10.109 27.381 25.638 680 HB2 GLU 16 HB2 GLU 16 -8.775 28.285 23.061 681 HB3 GLU 16 HB3 GLU 16 -10.470 28.447 23.484 682 HG2 GLU 16 HG2 GLU 16 -8.124 29.918 24.745 683 HG3 GLU 16 HG3 GLU 16 -9.344 30.584 23.675 684 H GLU 17 H GLU 17 -7.799 25.255 24.786 685 HA GLU 17 HA GLU 17 -8.845 23.863 22.602 686 HB2 GLU 17 HB2 GLU 17 -6.529 23.809 23.546 687 HB3 GLU 17 HB3 GLU 17 -7.105 22.710 24.810 688 HG2 GLU 17 HG2 GLU 17 -7.672 21.030 23.064 689 HG3 GLU 17 HG3 GLU 17 -7.240 22.202 21.817 690 H GLN 18 H GLN 18 -10.023 23.700 25.725 691 HA GLN 18 HA GLN 18 -10.984 21.312 26.337 692 HB2 GLN 18 HB2 GLN 18 -12.876 21.992 27.431 693 HB3 GLN 18 HB3 GLN 18 -11.675 23.228 27.623 694 HG2 GLN 18 HG2 GLN 18 -14.111 23.275 25.780 695 HG3 GLN 18 HG3 GLN 18 -13.896 24.097 27.349 696 HE21 GLN 18 HE22 GLN 18 -13.612 24.531 23.987 697 HE22 GLN 18 HE21 GLN 18 -12.356 25.774 23.990 698 H LYS 19 H LYS 19 -12.286 23.068 23.650 699 HA LYS 19 HA LYS 19 -14.269 21.371 22.605 700 HB2 LYS 19 HB2 LYS 19 -13.815 23.543 21.676 701 HB3 LYS 19 HB3 LYS 19 -12.154 23.176 21.502 702 HG2 LYS 19 HG2 LYS 19 -13.643 23.365 19.458 703 HG3 LYS 19 HG3 LYS 19 -12.275 22.239 19.614 704 HD2 LYS 19 HD2 LYS 19 -13.401 20.419 19.448 705 HD3 LYS 19 HD3 LYS 19 -14.821 20.978 20.261 706 HE2 LYS 19 HE2 LYS 19 -15.054 20.334 17.755 707 HE3 LYS 19 HE3 LYS 19 -15.674 21.913 18.169 708 HZ1 LYS 19 HZ1 LYS 19 -14.275 21.890 16.132 709 HZ2 LYS 19 HZ2 LYS 19 -12.945 21.565 17.035 710 HZ3 LYS 19 HZ3 LYS 19 -13.819 22.964 17.249 711 H LEU 20 H LEU 20 -10.853 21.282 21.747 712 HA LEU 20 HA LEU 20 -11.072 18.948 20.043 713 HB2 LEU 20 HB2 LEU 20 -8.645 20.475 21.110 714 HB3 LEU 20 HB3 LEU 20 -8.603 19.334 19.824 715 HG LEU 20 HG LEU 20 -8.450 21.201 18.662 716 HD11 LEU 20 HD11 LEU 20 -10.168 19.885 17.643 717 HD12 LEU 20 HD12 LEU 20 -10.590 21.603 17.477 718 HD13 LEU 20 HD13 LEU 20 -11.435 20.569 18.639 719 HD21 LEU 20 HD21 LEU 20 -10.281 22.518 20.681 720 HD22 LEU 20 HD22 LEU 20 -9.886 23.226 19.108 721 HD23 LEU 20 HD23 LEU 20 -8.605 22.838 20.270 722 H LEU 21 H LEU 21 -10.027 19.729 23.180 723 HA LEU 21 HA LEU 21 -8.914 17.393 24.380 724 HB2 LEU 21 HB2 LEU 21 -8.817 19.507 25.452 725 HB3 LEU 21 HB3 LEU 21 -10.498 19.788 25.154 726 HG LEU 21 HG LEU 21 -10.010 19.694 27.485 727 HD11 LEU 21 HD11 LEU 21 -11.734 17.251 27.021 728 HD12 LEU 21 HD12 LEU 21 -12.305 18.927 26.852 729 HD13 LEU 21 HD13 LEU 21 -11.686 18.341 28.395 730 HD21 LEU 21 HD21 LEU 21 -9.459 16.740 27.088 731 HD22 LEU 21 HD22 LEU 21 -9.375 17.677 28.611 732 HD23 LEU 21 HD23 LEU 21 -8.191 17.996 27.328 733 H LEU 22 H LEU 22 -12.427 18.489 24.041 734 HA LEU 22 HA LEU 22 -13.152 16.063 25.508 735 HB2 LEU 22 HB2 LEU 22 -14.611 18.003 25.664 736 HB3 LEU 22 HB3 LEU 22 -14.836 18.050 23.915 737 HG LEU 22 HG LEU 22 -16.070 15.917 23.961 738 HD11 LEU 22 HD11 LEU 22 -16.763 14.910 26.124 739 HD12 LEU 22 HD12 LEU 22 -15.633 15.995 26.970 740 HD13 LEU 22 HD13 LEU 22 -15.028 14.766 25.862 741 HD21 LEU 22 HD21 LEU 22 -18.051 16.698 25.247 742 HD22 LEU 22 HD22 LEU 22 -17.342 17.936 24.208 743 HD23 LEU 22 HD23 LEU 22 -17.040 17.986 25.954 744 H ASN 23 H ASN 23 -13.166 17.145 22.214 745 HA ASN 23 HA ASN 23 -14.324 14.938 20.877 746 HB2 ASN 23 HB2 ASN 23 -12.530 17.308 20.220 747 HB3 ASN 23 HB3 ASN 23 -12.902 16.198 19.000 748 HD21 ASN 23 HD21 ASN 23 -13.708 18.744 18.813 749 HD22 ASN 23 HD22 ASN 23 -15.456 18.840 19.001 750 H ILE 24 H ILE 24 -10.993 15.327 21.930 751 HA ILE 24 HA ILE 24 -10.262 12.728 20.655 752 HB ILE 24 HB ILE 24 -8.085 12.962 21.545 753 HG12 ILE 24 HG12 ILE 24 -9.148 15.305 23.104 754 HG13 ILE 24 HG13 ILE 24 -8.399 13.858 23.699 755 HG21 ILE 24 HG21 ILE 24 -8.903 15.572 20.237 756 HG22 ILE 24 HG22 ILE 24 -7.305 14.810 20.215 757 HG23 ILE 24 HG23 ILE 24 -8.662 14.029 19.407 758 HD11 ILE 24 HD11 ILE 24 -6.834 15.674 23.920 759 HD12 ILE 24 HD12 ILE 24 -6.223 14.575 22.666 760 HD13 ILE 24 HD13 ILE 24 -7.000 16.116 22.213 761 H LEU 25 H LEU 25 -11.232 13.921 23.839 762 HA LEU 25 HA LEU 25 -10.488 11.589 25.290 763 HB2 LEU 25 HB2 LEU 25 -10.832 13.822 26.224 764 HB3 LEU 25 HB3 LEU 25 -12.544 13.764 25.811 765 HG LEU 25 HG LEU 25 -12.861 11.881 27.425 766 HD11 LEU 25 HD11 LEU 25 -9.950 12.488 28.120 767 HD12 LEU 25 HD12 LEU 25 -10.578 10.960 27.465 768 HD13 LEU 25 HD13 LEU 25 -11.046 11.474 29.090 769 HD21 LEU 25 HD21 LEU 25 -12.652 13.276 29.440 770 HD22 LEU 25 HD22 LEU 25 -13.279 14.219 28.078 771 HD23 LEU 25 HD23 LEU 25 -11.581 14.398 28.568 772 H ILE 26 H ILE 26 -13.408 12.380 23.447 773 HA ILE 26 HA ILE 26 -14.856 9.975 24.289 774 HB ILE 26 HB ILE 26 -16.616 10.667 22.834 775 HG12 ILE 26 HG12 ILE 26 -14.931 13.005 21.870 776 HG13 ILE 26 HG13 ILE 26 -15.106 11.515 20.948 777 HG21 ILE 26 HG21 ILE 26 -15.534 13.062 24.348 778 HG22 ILE 26 HG22 ILE 26 -17.223 12.753 23.913 779 HG23 ILE 26 HG23 ILE 26 -16.399 11.696 25.064 780 HD11 ILE 26 HD11 ILE 26 -16.687 13.117 20.104 781 HD12 ILE 26 HD12 ILE 26 -17.577 11.814 20.921 782 HD13 ILE 26 HD13 ILE 26 -17.367 13.398 21.714 783 H ASN 27 H ASN 27 -16.044 8.939 22.198 784 HA ASN 27 HA ASN 27 -14.247 6.920 21.463 785 HB2 ASN 27 HB2 ASN 27 -16.175 6.007 20.222 786 HB3 ASN 27 HB3 ASN 27 -16.603 6.532 21.842 787 HD21 ASN 27 HD21 ASN 27 -18.194 8.243 22.070 788 HD22 ASN 27 HD22 ASN 27 -18.973 8.913 20.652 789 H HIS 28 H HIS 28 -15.154 9.740 19.477 790 HA HIS 28 HA HIS 28 -13.096 8.948 17.502 791 HB2 HIS 28 HB2 HIS 28 -15.982 9.608 16.795 792 HB3 HIS 28 HB3 HIS 28 -14.661 9.636 15.634 793 HD1 HIS 28 HD1 HIS 28 -16.884 7.172 17.471 794 HD2 HIS 28 HD2 HIS 28 -13.554 7.247 14.902 795 HE1 HIS 28 HE1 HIS 28 -16.628 4.793 16.560 796 H GLU 29 H GLU 29 -12.206 10.603 16.305 797 HA GLU 29 HA GLU 29 -11.843 13.054 17.747 798 HB2 GLU 29 HB2 GLU 29 -10.744 12.079 15.093 799 HB3 GLU 29 HB3 GLU 29 -10.205 13.538 15.942 800 HG2 GLU 29 HG2 GLU 29 -9.518 12.198 17.888 801 HG3 GLU 29 HG3 GLU 29 -10.080 10.720 17.108 802 H TYR 30 H TYR 30 -13.971 13.864 17.706 803 HA TYR 30 HA TYR 30 -15.550 14.118 15.513 804 HB2 TYR 30 HB2 TYR 30 -16.232 14.091 17.880 805 HB3 TYR 30 HB3 TYR 30 -15.604 15.735 18.063 806 HD1 TYR 30 HD1 TYR 30 -17.777 14.132 15.399 807 HD2 TYR 30 HD2 TYR 30 -17.388 17.171 18.443 808 HE1 TYR 30 HE1 TYR 30 -19.939 15.104 14.702 809 HE2 TYR 30 HE2 TYR 30 -19.551 18.134 17.748 810 HH TYR 30 HH TYR 30 -21.548 16.696 15.129 811 H ALA 31 H ALA 31 -13.878 17.041 16.896 812 HA ALA 31 HA ALA 31 -14.350 19.079 15.533 813 HB1 ALA 31 HB1 ALA 31 -12.445 18.848 16.975 814 HB2 ALA 31 HB2 ALA 31 -11.567 17.899 15.745 815 HB3 ALA 31 HB3 ALA 31 -11.932 19.608 15.443 816 H ILE 32 H ILE 32 -12.288 16.609 13.755 817 HA ILE 32 HA ILE 32 -12.484 18.172 11.389 818 HB ILE 32 HB ILE 32 -11.525 15.341 11.780 819 HG12 ILE 32 HG12 ILE 32 -10.120 17.114 12.794 820 HG13 ILE 32 HG13 ILE 32 -9.322 16.303 11.455 821 HG21 ILE 32 HG21 ILE 32 -10.504 15.713 9.464 822 HG22 ILE 32 HG22 ILE 32 -12.276 15.381 9.516 823 HG23 ILE 32 HG23 ILE 32 -11.662 17.017 9.244 824 HD11 ILE 32 HD11 ILE 32 -10.610 19.062 11.298 825 HD12 ILE 32 HD12 ILE 32 -8.902 18.738 11.418 826 HD13 ILE 32 HD13 ILE 32 -9.771 18.234 9.969 827 H GLU 33 H GLU 33 -14.622 15.616 12.484 828 HA GLU 33 HA GLU 33 -16.030 15.423 10.005 829 HB2 GLU 33 HB2 GLU 33 -16.425 13.961 12.043 830 HB3 GLU 33 HB3 GLU 33 -17.355 15.300 12.743 831 HG2 GLU 33 HG2 GLU 33 -18.876 15.247 10.761 832 HG3 GLU 33 HG3 GLU 33 -17.953 13.899 10.098 833 H LEU 34 H LEU 34 -16.202 17.773 12.647 834 HA LEU 34 HA LEU 34 -18.142 19.501 11.462 835 HB2 LEU 34 HB2 LEU 34 -15.795 20.590 13.061 836 HB3 LEU 34 HB3 LEU 34 -17.400 21.238 12.894 837 HG LEU 34 HG LEU 34 -16.594 18.778 14.493 838 HD11 LEU 34 HD11 LEU 34 -15.888 20.990 15.391 839 HD12 LEU 34 HD12 LEU 34 -17.091 20.178 16.423 840 HD13 LEU 34 HD13 LEU 34 -17.579 21.526 15.371 841 HD21 LEU 34 HD21 LEU 34 -18.865 18.992 15.432 842 HD22 LEU 34 HD22 LEU 34 -18.857 18.453 13.749 843 HD23 LEU 34 HD23 LEU 34 -19.281 20.153 14.147 844 H LEU 35 H LEU 35 -14.547 19.693 11.297 845 HA LEU 35 HA LEU 35 -14.171 21.846 9.664 846 HB2 LEU 35 HB2 LEU 35 -12.430 20.368 10.658 847 HB3 LEU 35 HB3 LEU 35 -12.736 19.153 9.472 848 HG LEU 35 HG LEU 35 -10.679 20.784 9.348 849 HD11 LEU 35 HD11 LEU 35 -11.058 18.872 7.894 850 HD12 LEU 35 HD12 LEU 35 -10.429 20.259 7.007 851 HD13 LEU 35 HD13 LEU 35 -12.150 19.841 6.876 852 HD21 LEU 35 HD21 LEU 35 -12.410 22.160 7.314 853 HD22 LEU 35 HD22 LEU 35 -10.803 22.601 7.892 854 HD23 LEU 35 HD23 LEU 35 -12.212 22.867 8.917 855 H SER 36 H SER 36 -14.709 18.433 8.316 856 HA SER 36 HA SER 36 -14.740 19.363 5.606 857 HB2 SER 36 HB2 SER 36 -14.292 17.031 6.270 858 HB3 SER 36 HB3 SER 36 -16.014 16.864 6.716 859 HG SER 36 HG SER 36 -15.446 16.262 4.476 860 H SER 37 H SER 37 -17.412 18.612 7.950 861 HA SER 37 HA SER 37 -19.450 18.934 6.079 862 HB2 SER 37 HB2 SER 37 -19.521 18.254 8.635 863 HB3 SER 37 HB3 SER 37 -19.909 19.955 8.906 864 HG SER 37 HG SER 37 -21.698 19.706 7.518 865 H GLU 38 H GLU 38 -17.640 21.186 7.985 866 HA GLU 38 HA GLU 38 -19.146 23.624 7.563 867 HB2 GLU 38 HB2 GLU 38 -16.478 22.907 8.835 868 HB3 GLU 38 HB3 GLU 38 -16.866 24.562 8.628 869 HG2 GLU 38 HG2 GLU 38 -18.576 22.577 10.177 870 HG3 GLU 38 HG3 GLU 38 -17.454 23.739 10.873 871 H ILE 39 H ILE 39 -15.994 22.491 6.159 872 HA ILE 39 HA ILE 39 -15.619 24.880 4.632 873 HB ILE 39 HB ILE 39 -14.203 23.529 3.144 874 HG12 ILE 39 HG12 ILE 39 -13.468 21.256 4.447 875 HG13 ILE 39 HG13 ILE 39 -15.181 21.252 4.739 876 HG21 ILE 39 HG21 ILE 39 -13.741 23.326 6.124 877 HG22 ILE 39 HG22 ILE 39 -12.456 23.152 4.897 878 HG23 ILE 39 HG23 ILE 39 -13.277 24.698 5.095 879 HD11 ILE 39 HD11 ILE 39 -13.775 21.335 2.050 880 HD12 ILE 39 HD12 ILE 39 -14.654 19.956 2.757 881 HD13 ILE 39 HD13 ILE 39 -15.538 21.403 2.233 882 H ASN 40 H ASN 40 -17.311 21.853 3.977 883 HA ASN 40 HA ASN 40 -18.201 22.697 1.344 884 HB2 ASN 40 HB2 ASN 40 -19.378 20.561 3.150 885 HB3 ASN 40 HB3 ASN 40 -19.761 20.818 1.446 886 HD21 ASN 40 HD22 ASN 40 -17.560 19.420 3.606 887 HD22 ASN 40 HD21 ASN 40 -16.512 18.739 2.389 888 H ASP 41 H ASP 41 -19.632 23.300 4.582 889 HA ASP 41 HA ASP 41 -22.144 24.243 3.505 890 HB2 ASP 41 HB2 ASP 41 -21.448 23.653 5.976 891 HB3 ASP 41 HB3 ASP 41 -20.916 25.327 6.047 892 H ILE 42 H ILE 42 -18.937 25.663 3.806 893 HA ILE 42 HA ILE 42 -19.891 28.333 2.894 894 HB ILE 42 HB ILE 42 -17.151 27.239 3.553 895 HG12 ILE 42 HG12 ILE 42 -17.210 29.221 5.134 896 HG13 ILE 42 HG13 ILE 42 -18.875 29.516 4.662 897 HG21 ILE 42 HG21 ILE 42 -16.248 29.511 3.072 898 HG22 ILE 42 HG22 ILE 42 -16.780 28.688 1.612 899 HG23 ILE 42 HG23 ILE 42 -17.800 29.958 2.331 900 HD11 ILE 42 HD11 ILE 42 -18.723 28.303 6.812 901 HD12 ILE 42 HD12 ILE 42 -19.501 27.270 5.619 902 HD13 ILE 42 HD13 ILE 42 -17.789 27.030 6.014 903 H GLU 43 H GLU 43 -18.003 25.671 1.485 904 HA GLU 43 HA GLU 43 -17.535 26.929 -1.019 905 HB2 GLU 43 HB2 GLU 43 -16.403 24.890 0.090 906 HB3 GLU 43 HB3 GLU 43 -17.691 23.920 -0.570 907 HG2 GLU 43 HG2 GLU 43 -15.796 23.766 -2.039 908 HG3 GLU 43 HG3 GLU 43 -17.066 24.646 -2.874 909 H THR 44 H THR 44 -20.003 24.560 -0.131 910 HA THR 44 HA THR 44 -21.429 25.023 -2.733 911 HB THR 44 HB THR 44 -20.436 22.872 -2.816 912 HG1 THR 44 HG1 THR 44 -22.283 21.687 -3.188 913 HG21 THR 44 HG21 THR 44 -20.117 22.215 -0.526 914 HG22 THR 44 HG22 THR 44 -21.145 21.014 -1.302 915 HG23 THR 44 HG23 THR 44 -21.872 22.219 -0.215 916 H GLY 45 H GLY 45 -21.925 24.450 0.799 917 HA2 GLY 45 HA2 GLY 45 -24.745 24.984 0.724 918 HA3 GLY 45 HA3 GLY 45 -23.680 25.167 2.117 919 H THR 46 H THR 46 -22.075 27.162 0.377 920 HA THR 46 HA THR 46 -21.823 29.330 0.081 921 HB THR 46 HB THR 46 -23.472 30.699 -1.072 922 HG1 THR 46 HG1 THR 46 -25.380 29.766 -0.205 923 HG21 THR 46 HG21 THR 46 -23.181 27.910 -2.249 924 HG22 THR 46 HG22 THR 46 -21.952 29.193 -2.307 925 HG23 THR 46 HG23 THR 46 -23.505 29.417 -3.131 926 H LYS 47 H LYS 47 -22.256 28.610 2.705 927 HA LYS 47 HA LYS 47 -23.375 30.941 4.088 928 HB2 LYS 47 HB2 LYS 47 -21.160 28.998 4.892 929 HB3 LYS 47 HB3 LYS 47 -21.882 30.203 5.932 930 HG2 LYS 47 HG2 LYS 47 -23.157 27.695 4.830 931 HG3 LYS 47 HG3 LYS 47 -22.766 28.051 6.494 932 HD2 LYS 47 HD2 LYS 47 -24.914 29.419 4.820 933 HD3 LYS 47 HD3 LYS 47 -25.200 28.178 6.026 934 HE2 LYS 47 HE2 LYS 47 -23.978 30.912 6.635 935 HE3 LYS 47 HE3 LYS 47 -25.691 30.521 6.793 936 HZ1 LYS 47 HZ1 LYS 47 -24.566 30.284 8.917 937 HZ2 LYS 47 HZ2 LYS 47 -23.515 29.188 8.317 938 HZ3 LYS 47 HZ3 LYS 47 -25.103 28.822 8.433 939 H ASN 48 H ASN 48 -22.310 32.828 4.649 940 HA ASN 48 HA ASN 48 -19.512 33.222 4.295 941 HB2 ASN 48 HB2 ASN 48 -19.459 34.911 2.585 942 HB3 ASN 48 HB3 ASN 48 -20.172 33.471 1.894 943 HD21 ASN 48 HD21 ASN 48 -20.533 36.827 2.205 944 HD22 ASN 48 HD22 ASN 48 -22.213 36.909 1.699 945 H VAL 49 H VAL 49 -18.798 34.827 5.613 946 HA VAL 49 HA VAL 49 -20.432 37.160 6.286 947 HB VAL 49 HB VAL 49 -20.074 37.055 8.616 948 HG11 VAL 49 HG11 VAL 49 -21.229 34.356 7.883 949 HG12 VAL 49 HG12 VAL 49 -21.520 35.293 9.360 950 HG13 VAL 49 HG13 VAL 49 -22.099 35.909 7.808 951 HG21 VAL 49 HG21 VAL 49 -18.000 35.980 8.964 952 HG22 VAL 49 HG22 VAL 49 -19.201 35.008 9.802 953 HG23 VAL 49 HG23 VAL 49 -18.578 34.460 8.228 954 H ASP 50 H ASP 50 -18.563 38.181 8.154 955 HA ASP 50 HA ASP 50 -16.211 39.055 6.781 956 HB2 ASP 50 HB2 ASP 50 -17.511 39.892 8.908 957 HB3 ASP 50 HB3 ASP 50 -16.560 38.704 9.777 958 H GLY 51 H GLY 51 -13.927 38.572 8.080 959 HA2 GLY 51 HA2 GLY 51 -12.974 36.062 7.495 960 HA3 GLY 51 HA3 GLY 51 -12.271 37.111 8.711 961 H THR 52 H THR 52 -15.154 36.585 10.134 962 HA THR 52 HA THR 52 -14.323 34.762 12.096 963 HB THR 52 HB THR 52 -17.111 35.308 11.008 964 HG1 THR 52 HG1 THR 52 -17.174 36.731 12.766 965 HG21 THR 52 HG21 THR 52 -17.863 34.598 13.285 966 HG22 THR 52 HG22 THR 52 -16.207 34.010 13.606 967 HG23 THR 52 HG23 THR 52 -17.199 33.278 12.317 968 H THR 53 H THR 53 -16.444 33.884 9.164 969 HA THR 53 HA THR 53 -16.262 31.147 9.811 970 HB THR 53 HB THR 53 -18.041 32.210 8.504 971 HG1 THR 53 HG1 THR 53 -18.324 30.419 7.261 972 HG21 THR 53 HG21 THR 53 -16.198 32.013 6.084 973 HG22 THR 53 HG22 THR 53 -16.657 33.546 6.865 974 HG23 THR 53 HG23 THR 53 -17.893 32.520 6.120 975 H TYR 54 H TYR 54 -14.336 33.057 7.492 976 HA TYR 54 HA TYR 54 -12.622 31.122 6.391 977 HB2 TYR 54 HB2 TYR 54 -12.043 33.929 7.454 978 HB3 TYR 54 HB3 TYR 54 -10.860 32.974 6.609 979 HD1 TYR 54 HD1 TYR 54 -14.171 34.664 6.195 980 HD2 TYR 54 HD2 TYR 54 -10.905 32.629 4.240 981 HE1 TYR 54 HE1 TYR 54 -15.047 35.395 3.981 982 HE2 TYR 54 HE2 TYR 54 -11.786 33.359 2.020 983 HH TYR 54 HH TYR 54 -13.419 34.520 0.906 984 H LYS 55 H LYS 55 -12.077 32.981 9.415 985 HA LYS 55 HA LYS 55 -9.900 31.626 10.305 986 HB2 LYS 55 HB2 LYS 55 -10.653 33.861 10.931 987 HB3 LYS 55 HB3 LYS 55 -11.991 33.221 11.806 988 HG2 LYS 55 HG2 LYS 55 -10.249 33.402 13.518 989 HG3 LYS 55 HG3 LYS 55 -9.979 31.762 12.989 990 HD2 LYS 55 HD2 LYS 55 -8.541 32.961 11.055 991 HD3 LYS 55 HD3 LYS 55 -8.454 34.259 12.237 992 HE2 LYS 55 HE2 LYS 55 -7.620 32.635 13.969 993 HE3 LYS 55 HE3 LYS 55 -7.611 31.367 12.740 994 HZ1 LYS 55 HZ1 LYS 55 -5.992 33.863 12.634 995 HZ2 LYS 55 HZ2 LYS 55 -5.981 32.702 11.484 996 HZ3 LYS 55 HZ3 LYS 55 -5.412 32.379 12.981 997 H LYS 56 H LYS 56 -13.304 30.809 11.143 998 HA LYS 56 HA LYS 56 -12.801 28.485 12.778 999 HB2 LYS 56 HB2 LYS 56 -15.053 29.260 10.971 1000 HB3 LYS 56 HB3 LYS 56 -14.925 27.610 11.601 1001 HG2 LYS 56 HG2 LYS 56 -16.207 28.667 13.177 1002 HG3 LYS 56 HG3 LYS 56 -14.596 28.774 13.917 1003 HD2 LYS 56 HD2 LYS 56 -14.373 31.078 13.181 1004 HD3 LYS 56 HD3 LYS 56 -15.982 31.045 12.407 1005 HE2 LYS 56 HE2 LYS 56 -15.491 30.272 15.271 1006 HE3 LYS 56 HE3 LYS 56 -15.699 31.979 14.830 1007 HZ1 LYS 56 HZ1 LYS 56 -17.784 30.949 15.563 1008 HZ2 LYS 56 HZ2 LYS 56 -17.719 29.837 14.385 1009 HZ3 LYS 56 HZ3 LYS 56 -17.928 31.420 14.003 1010 H LEU 57 H LEU 57 -12.921 28.597 9.168 1011 HA LEU 57 HA LEU 57 -12.484 25.737 8.917 1012 HB2 LEU 57 HB2 LEU 57 -12.029 27.920 6.893 1013 HB3 LEU 57 HB3 LEU 57 -12.219 26.211 6.536 1014 HG LEU 57 HG LEU 57 -14.369 28.114 7.537 1015 HD11 LEU 57 HD11 LEU 57 -15.415 27.622 5.362 1016 HD12 LEU 57 HD12 LEU 57 -13.978 26.692 4.893 1017 HD13 LEU 57 HD13 LEU 57 -13.844 28.424 5.211 1018 HD21 LEU 57 HD21 LEU 57 -14.596 25.147 7.050 1019 HD22 LEU 57 HD22 LEU 57 -15.953 26.267 7.268 1020 HD23 LEU 57 HD23 LEU 57 -14.809 26.003 8.586 1021 H VAL 58 H VAL 58 -10.309 28.560 8.732 1022 HA VAL 58 HA VAL 58 -8.023 26.880 8.084 1023 HB VAL 58 HB VAL 58 -8.467 29.196 7.217 1024 HG11 VAL 58 HG11 VAL 58 -8.884 30.152 9.514 1025 HG12 VAL 58 HG12 VAL 58 -7.137 30.193 9.762 1026 HG13 VAL 58 HG13 VAL 58 -7.883 31.129 8.435 1027 HG21 VAL 58 HG21 VAL 58 -5.720 28.739 8.407 1028 HG22 VAL 58 HG22 VAL 58 -6.326 28.062 6.866 1029 HG23 VAL 58 HG23 VAL 58 -6.128 29.813 7.054 1030 H THR 59 H THR 59 -9.410 28.055 11.064 1031 HA THR 59 HA THR 59 -6.983 27.641 12.662 1032 HB THR 59 HB THR 59 -8.866 29.162 13.302 1033 HG1 THR 59 HG1 THR 59 -8.249 29.044 15.256 1034 HG21 THR 59 HG21 THR 59 -10.160 26.538 14.149 1035 HG22 THR 59 HG22 THR 59 -10.790 27.822 13.135 1036 HG23 THR 59 HG23 THR 59 -10.559 28.114 14.856 1037 H LEU 60 H LEU 60 -9.829 25.767 11.743 1038 HA LEU 60 HA LEU 60 -9.631 23.434 13.223 1039 HB2 LEU 60 HB2 LEU 60 -10.544 24.068 10.498 1040 HB3 LEU 60 HB3 LEU 60 -9.992 22.414 10.693 1041 HG LEU 60 HG LEU 60 -12.343 22.559 11.023 1042 HD11 LEU 60 HD11 LEU 60 -12.670 21.299 12.849 1043 HD12 LEU 60 HD12 LEU 60 -11.351 22.049 13.803 1044 HD13 LEU 60 HD13 LEU 60 -10.979 20.959 12.444 1045 HD21 LEU 60 HD21 LEU 60 -11.771 24.648 13.058 1046 HD22 LEU 60 HD22 LEU 60 -13.243 23.633 13.125 1047 HD23 LEU 60 HD23 LEU 60 -12.924 24.604 11.688 1048 H TYR 61 H TYR 61 -7.862 23.937 10.188 1049 HA TYR 61 HA TYR 61 -6.118 21.633 10.656 1050 HB2 TYR 61 HB2 TYR 61 -5.422 21.777 8.570 1051 HB3 TYR 61 HB3 TYR 61 -6.710 22.965 8.351 1052 HD1 TYR 61 HD1 TYR 61 -3.068 22.433 8.672 1053 HD2 TYR 61 HD2 TYR 61 -6.134 25.411 8.225 1054 HE1 TYR 61 HE1 TYR 61 -1.337 24.097 8.120 1055 HE2 TYR 61 HE2 TYR 61 -4.376 27.100 7.707 1056 HH TYR 61 HH TYR 61 -2.129 27.535 7.509 1057 H ASP 62 H ASP 62 -5.785 25.063 11.163 1058 HA ASP 62 HA ASP 62 -3.035 25.210 11.783 1059 HB2 ASP 62 HB2 ASP 62 -4.527 27.195 11.510 1060 HB3 ASP 62 HB3 ASP 62 -5.140 26.878 13.145 1061 H ARG 63 H ARG 63 -5.590 23.779 13.745 1062 HA ARG 63 HA ARG 63 -3.352 23.010 15.631 1063 HB2 ARG 63 HB2 ARG 63 -6.054 23.918 16.232 1064 HB3 ARG 63 HB3 ARG 63 -5.740 22.389 17.010 1065 HG2 ARG 63 HG2 ARG 63 -4.084 23.135 18.370 1066 HG3 ARG 63 HG3 ARG 63 -3.470 24.324 17.241 1067 HD2 ARG 63 HD2 ARG 63 -5.996 24.520 18.854 1068 HD3 ARG 63 HD3 ARG 63 -4.483 25.361 19.241 1069 HE ARG 63 HE ARG 63 -6.506 26.425 17.658 1070 HH11 ARG 63 HH21 ARG 63 -2.999 26.184 17.200 1071 HH12 ARG 63 HH22 ARG 63 -3.107 27.292 15.836 1072 HH21 ARG 63 HH11 ARG 63 -6.396 27.786 15.849 1073 HH22 ARG 63 HH12 ARG 63 -4.787 28.121 15.209 1074 H PHE 64 H PHE 64 -6.003 21.575 13.782 1075 HA PHE 64 HA PHE 64 -5.532 18.921 14.724 1076 HB2 PHE 64 HB2 PHE 64 -7.503 19.383 13.514 1077 HB3 PHE 64 HB3 PHE 64 -6.607 20.047 12.153 1078 HD1 PHE 64 HD2 PHE 64 -7.115 16.849 14.116 1079 HD2 PHE 64 HD1 PHE 64 -6.054 18.581 10.323 1080 HE1 PHE 64 HE2 PHE 64 -7.049 14.587 13.097 1081 HE2 PHE 64 HE1 PHE 64 -5.981 16.316 9.298 1082 HZ PHE 64 HZ PHE 64 -6.486 14.314 10.691 1083 H ARG 65 H ARG 65 -4.020 20.535 11.819 1084 HA ARG 65 HA ARG 65 -2.539 18.165 11.048 1085 HB2 ARG 65 HB2 ARG 65 -2.566 21.126 10.299 1086 HB3 ARG 65 HB3 ARG 65 -1.542 20.032 9.505 1087 HG2 ARG 65 HG2 ARG 65 -4.534 19.934 9.466 1088 HG3 ARG 65 HG3 ARG 65 -3.485 20.381 8.118 1089 HD2 ARG 65 HD2 ARG 65 -3.614 17.662 9.391 1090 HD3 ARG 65 HD3 ARG 65 -4.440 18.107 7.911 1091 HE ARG 65 HE ARG 65 -2.238 18.472 6.835 1092 HH11 ARG 65 HH11 ARG 65 -2.154 16.373 9.659 1093 HH12 ARG 65 HH12 ARG 65 -1.087 15.253 8.852 1094 HH21 ARG 65 HH21 ARG 65 -0.803 17.139 6.004 1095 HH22 ARG 65 HH22 ARG 65 -0.145 15.813 6.952 1096 H PHE 66 H PHE 66 -1.845 21.012 12.721 1097 HA PHE 66 HA PHE 66 1.020 20.448 13.143 1098 HB2 PHE 66 HB2 PHE 66 -0.766 22.710 14.067 1099 HB3 PHE 66 HB3 PHE 66 0.919 22.579 14.520 1100 HD1 PHE 66 HD2 PHE 66 2.638 22.206 12.496 1101 HD2 PHE 66 HD1 PHE 66 -1.275 23.967 12.147 1102 HE1 PHE 66 HE2 PHE 66 3.348 23.373 10.419 1103 HE2 PHE 66 HE1 PHE 66 -0.548 25.185 10.107 1104 HZ PHE 66 HZ PHE 66 1.757 24.869 9.224 1105 H GLU 67 H GLU 67 -1.653 20.880 15.524 1106 HA GLU 67 HA GLU 67 0.266 20.213 17.682 1107 HB2 GLU 67 HB2 GLU 67 -2.459 21.576 17.699 1108 HB3 GLU 67 HB3 GLU 67 -1.495 21.265 19.117 1109 HG2 GLU 67 HG2 GLU 67 -0.695 23.032 16.760 1110 HG3 GLU 67 HG3 GLU 67 -1.290 23.596 18.313 1111 H ASN 68 H ASN 68 -2.936 19.284 16.687 1112 HA ASN 68 HA ASN 68 -3.028 17.059 18.669 1113 HB2 ASN 68 HB2 ASN 68 -5.321 18.667 17.493 1114 HB3 ASN 68 HB3 ASN 68 -5.517 17.267 18.537 1115 HD21 ASN 68 HD21 ASN 68 -5.342 20.634 18.579 1116 HD22 ASN 68 HD22 ASN 68 -4.997 20.802 20.307 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -2.307 -8.920 0.455 2 H2 GLY 1 H2 GLY 1 -1.923 -9.808 1.778 3 H3 GLY 1 H3 GLY 1 -0.749 -9.020 0.948 4 HA2 GLY 1 HA2 GLY 1 -2.936 -7.732 2.448 5 HA3 GLY 1 HA3 GLY 1 -1.253 -7.851 2.995 6 H SER 2 H SER 2 -2.614 -5.425 2.731 7 HA SER 2 HA SER 2 -2.532 -3.333 1.913 8 HB2 SER 2 HB2 SER 2 -0.062 -3.791 2.255 9 HB3 SER 2 HB3 SER 2 0.053 -3.987 0.494 10 HG SER 2 HG SER 2 0.470 -1.825 1.233 11 H HIS 3 H HIS 3 -2.080 -1.970 -0.229 12 HA HIS 3 HA HIS 3 -3.125 -3.196 -2.664 13 HB2 HIS 3 HB2 HIS 3 -5.119 -2.760 -1.007 14 HB3 HIS 3 HB3 HIS 3 -4.894 -1.056 -1.399 15 HD1 HIS 3 HD1 HIS 3 -5.725 -0.329 -3.850 16 HD2 HIS 3 HD2 HIS 3 -5.864 -4.455 -3.011 17 HE1 HIS 3 HE1 HIS 3 -7.005 -1.421 -5.784 18 H MET 4 H MET 4 -3.620 -1.386 -4.322 19 HA MET 4 HA MET 4 -1.608 0.796 -4.232 20 HB2 MET 4 HB2 MET 4 -3.576 -0.061 -6.393 21 HB3 MET 4 HB3 MET 4 -2.422 1.268 -6.542 22 HG2 MET 4 HG2 MET 4 -1.695 -1.654 -6.106 23 HG3 MET 4 HG3 MET 4 -1.631 -0.788 -7.637 24 HE1 MET 4 HE1 MET 4 2.144 -1.448 -6.799 25 HE2 MET 4 HE2 MET 4 0.767 -2.503 -6.413 26 HE3 MET 4 HE3 MET 4 0.838 -1.672 -7.984 27 H ARG 5 H ARG 5 -2.181 2.990 -4.472 28 HA ARG 5 HA ARG 5 -4.942 3.792 -3.635 29 HB2 ARG 5 HB2 ARG 5 -2.810 3.876 -1.969 30 HB3 ARG 5 HB3 ARG 5 -2.568 5.413 -2.742 31 HG2 ARG 5 HG2 ARG 5 -4.924 6.060 -2.108 32 HG3 ARG 5 HG3 ARG 5 -5.109 4.549 -1.285 33 HD2 ARG 5 HD2 ARG 5 -4.708 5.920 0.416 34 HD3 ARG 5 HD3 ARG 5 -3.181 5.086 0.204 35 HE ARG 5 HE ARG 5 -3.064 7.514 -1.314 36 HH11 ARG 5 HH21 ARG 5 -3.076 6.534 2.060 37 HH12 ARG 5 HH22 ARG 5 -2.021 7.840 2.518 38 HH21 ARG 5 HH11 ARG 5 -1.951 9.247 -0.651 39 HH22 ARG 5 HH12 ARG 5 -1.353 9.343 0.987 40 H MET 6 H MET 6 -5.632 5.850 -4.347 41 HA MET 6 HA MET 6 -3.967 7.079 -6.459 42 HB2 MET 6 HB2 MET 6 -6.987 6.928 -6.357 43 HB3 MET 6 HB3 MET 6 -6.049 7.634 -7.671 44 HG2 MET 6 HG2 MET 6 -6.004 4.716 -6.834 45 HG3 MET 6 HG3 MET 6 -6.885 5.371 -8.210 46 HE1 MET 6 HE1 MET 6 -4.818 7.400 -9.618 47 HE2 MET 6 HE2 MET 6 -4.100 6.270 -10.781 48 HE3 MET 6 HE3 MET 6 -5.842 6.200 -10.442 49 H SER 7 H SER 7 -4.537 7.821 -3.521 50 HA SER 7 HA SER 7 -4.985 9.514 -2.217 51 HB2 SER 7 HB2 SER 7 -3.193 10.835 -4.232 52 HB3 SER 7 HB3 SER 7 -3.642 11.593 -2.688 53 HG SER 7 HG SER 7 -1.672 10.175 -2.781 54 H LEU 8 H LEU 8 -5.273 11.747 -5.080 55 HA LEU 8 HA LEU 8 -8.111 12.170 -4.225 56 HB2 LEU 8 HB2 LEU 8 -6.594 14.608 -5.059 57 HB3 LEU 8 HB3 LEU 8 -8.023 14.435 -4.123 58 HG LEU 8 HG LEU 8 -5.417 13.480 -2.884 59 HD11 LEU 8 HD11 LEU 8 -6.386 16.346 -2.938 60 HD12 LEU 8 HD12 LEU 8 -4.913 15.710 -3.710 61 HD13 LEU 8 HD13 LEU 8 -5.060 15.672 -1.949 62 HD21 LEU 8 HD21 LEU 8 -7.629 13.034 -1.813 63 HD22 LEU 8 HD22 LEU 8 -7.942 14.791 -1.835 64 HD23 LEU 8 HD23 LEU 8 -6.618 14.135 -0.850 65 H ILE 9 H ILE 9 -8.932 10.980 -5.951 66 HA ILE 9 HA ILE 9 -8.255 11.602 -8.683 67 HB ILE 9 HB ILE 9 -10.796 10.229 -7.777 68 HG12 ILE 9 HG12 ILE 9 -8.043 8.950 -7.768 69 HG13 ILE 9 HG13 ILE 9 -9.030 9.226 -6.366 70 HG21 ILE 9 HG21 ILE 9 -8.930 9.697 -10.125 71 HG22 ILE 9 HG22 ILE 9 -10.521 8.959 -9.844 72 HG23 ILE 9 HG23 ILE 9 -10.410 10.674 -10.211 73 HD11 ILE 9 HD11 ILE 9 -9.305 6.970 -6.851 74 HD12 ILE 9 HD12 ILE 9 -10.802 7.765 -7.355 75 HD13 ILE 9 HD13 ILE 9 -9.601 7.258 -8.576 76 H GLY 10 H GLY 10 -10.755 12.600 -6.435 77 HA2 GLY 10 HA2 GLY 10 -12.074 14.654 -6.637 78 HA3 GLY 10 HA3 GLY 10 -11.868 14.619 -8.364 79 H GLU 11 H GLU 11 -12.572 11.482 -7.266 80 HA GLU 11 HA GLU 11 -15.482 11.803 -6.904 81 HB2 GLU 11 HB2 GLU 11 -15.689 9.616 -8.318 82 HB3 GLU 11 HB3 GLU 11 -15.820 11.220 -9.069 83 HG2 GLU 11 HG2 GLU 11 -13.426 10.996 -9.822 84 HG3 GLU 11 HG3 GLU 11 -13.406 9.361 -9.158 85 H ARG 12 H ARG 12 -13.131 9.147 -7.324 86 HA ARG 12 HA ARG 12 -12.635 7.319 -6.087 87 HB2 ARG 12 HB2 ARG 12 -13.019 8.603 -3.477 88 HB3 ARG 12 HB3 ARG 12 -11.813 7.519 -4.130 89 HG2 ARG 12 HG2 ARG 12 -10.470 9.220 -4.023 90 HG3 ARG 12 HG3 ARG 12 -11.087 9.592 -5.603 91 HD2 ARG 12 HD2 ARG 12 -11.066 11.622 -4.233 92 HD3 ARG 12 HD3 ARG 12 -12.735 11.196 -4.569 93 HE ARG 12 HE ARG 12 -11.288 10.802 -1.977 94 HH11 ARG 12 HH21 ARG 12 -14.439 11.116 -3.565 95 HH12 ARG 12 HH22 ARG 12 -15.128 11.745 -2.110 96 HH21 ARG 12 HH11 ARG 12 -12.451 11.161 -0.093 97 HH22 ARG 12 HH12 ARG 12 -14.151 11.490 -0.204 98 H PHE 13 H PHE 13 -15.307 7.447 -6.898 99 HA PHE 13 HA PHE 13 -17.235 6.603 -4.921 100 HB2 PHE 13 HB2 PHE 13 -17.032 6.151 -7.926 101 HB3 PHE 13 HB3 PHE 13 -18.457 5.888 -6.957 102 HD1 PHE 13 HD2 PHE 13 -17.564 8.767 -5.379 103 HD2 PHE 13 HD1 PHE 13 -18.552 7.491 -9.386 104 HE1 PHE 13 HE2 PHE 13 -18.203 11.075 -5.960 105 HE2 PHE 13 HE1 PHE 13 -19.218 9.815 -9.950 106 HZ PHE 13 HZ PHE 13 -19.040 11.614 -8.240 107 H THR 14 H THR 14 -18.241 4.350 -5.045 108 HA THR 14 HA THR 14 -16.818 2.400 -3.993 109 HB THR 14 HB THR 14 -19.196 2.328 -4.280 110 HG1 THR 14 HG1 THR 14 -19.375 0.117 -4.474 111 HG21 THR 14 HG21 THR 14 -20.331 1.478 -6.213 112 HG22 THR 14 HG22 THR 14 -18.811 1.178 -7.069 113 HG23 THR 14 HG23 THR 14 -19.347 2.845 -6.747 114 H GLU 15 H GLU 15 -16.881 2.456 -7.635 115 HA GLU 15 HA GLU 15 -15.041 0.195 -7.796 116 HB2 GLU 15 HB2 GLU 15 -15.918 2.230 -9.882 117 HB3 GLU 15 HB3 GLU 15 -14.927 0.802 -10.206 118 HG2 GLU 15 HG2 GLU 15 -16.770 -0.647 -9.314 119 HG3 GLU 15 HG3 GLU 15 -17.782 0.790 -9.147 120 H GLU 16 H GLU 16 -14.623 3.635 -7.682 121 HA GLU 16 HA GLU 16 -11.685 3.563 -8.145 122 HB2 GLU 16 HB2 GLU 16 -13.509 5.964 -7.763 123 HB3 GLU 16 HB3 GLU 16 -11.839 5.972 -8.297 124 HG2 GLU 16 HG2 GLU 16 -14.238 4.932 -9.842 125 HG3 GLU 16 HG3 GLU 16 -13.285 6.369 -10.179 126 H GLU 17 H GLU 17 -13.677 3.129 -5.584 127 HA GLU 17 HA GLU 17 -12.722 4.712 -3.533 128 HB2 GLU 17 HB2 GLU 17 -14.727 3.187 -3.626 129 HB3 GLU 17 HB3 GLU 17 -13.648 1.831 -3.278 130 HG2 GLU 17 HG2 GLU 17 -13.055 3.081 -1.093 131 HG3 GLU 17 HG3 GLU 17 -14.379 4.177 -1.486 132 H GLN 18 H GLN 18 -11.029 2.133 -4.863 133 HA GLN 18 HA GLN 18 -9.485 0.916 -3.110 134 HB2 GLN 18 HB2 GLN 18 -7.635 0.602 -4.378 135 HB3 GLN 18 HB3 GLN 18 -9.008 0.614 -5.448 136 HG2 GLN 18 HG2 GLN 18 -6.944 2.826 -5.041 137 HG3 GLN 18 HG3 GLN 18 -7.067 1.659 -6.388 138 HE21 GLN 18 HE22 GLN 18 -7.922 4.802 -5.442 139 HE22 GLN 18 HE21 GLN 18 -9.396 4.976 -6.399 140 H LYS 19 H LYS 19 -8.984 4.276 -3.785 141 HA LYS 19 HA LYS 19 -6.848 5.012 -2.110 142 HB2 LYS 19 HB2 LYS 19 -7.840 6.572 -3.607 143 HB3 LYS 19 HB3 LYS 19 -9.407 6.244 -3.028 144 HG2 LYS 19 HG2 LYS 19 -8.286 8.471 -2.523 145 HG3 LYS 19 HG3 LYS 19 -9.357 7.607 -1.380 146 HD2 LYS 19 HD2 LYS 19 -7.943 7.307 0.164 147 HD3 LYS 19 HD3 LYS 19 -6.543 7.108 -0.815 148 HE2 LYS 19 HE2 LYS 19 -6.643 9.162 0.790 149 HE3 LYS 19 HE3 LYS 19 -6.203 9.528 -0.859 150 HZ1 LYS 19 HZ1 LYS 19 -9.013 9.818 0.057 151 HZ2 LYS 19 HZ2 LYS 19 -8.288 10.399 -1.316 152 HZ3 LYS 19 HZ3 LYS 19 -7.919 11.042 0.124 153 H LEU 20 H LEU 20 -10.243 5.056 -1.166 154 HA LEU 20 HA LEU 20 -9.744 5.718 1.607 155 HB2 LEU 20 HB2 LEU 20 -12.303 4.774 0.212 156 HB3 LEU 20 HB3 LEU 20 -12.222 5.549 1.745 157 HG LEU 20 HG LEU 20 -12.984 7.208 0.518 158 HD11 LEU 20 HD11 LEU 20 -11.215 8.119 1.800 159 HD12 LEU 20 HD12 LEU 20 -11.169 8.900 0.204 160 HD13 LEU 20 HD13 LEU 20 -9.971 7.673 0.662 161 HD21 LEU 20 HD21 LEU 20 -12.286 7.795 -1.689 162 HD22 LEU 20 HD22 LEU 20 -12.869 6.127 -1.593 163 HD23 LEU 20 HD23 LEU 20 -11.138 6.447 -1.772 164 H LEU 21 H LEU 21 -10.496 2.950 -0.276 165 HA LEU 21 HA LEU 21 -10.905 0.762 1.505 166 HB2 LEU 21 HB2 LEU 21 -11.385 0.553 -0.792 167 HB3 LEU 21 HB3 LEU 21 -9.890 1.302 -1.227 168 HG LEU 21 HG LEU 21 -10.039 -0.938 -2.034 169 HD11 LEU 21 HD11 LEU 21 -7.722 -0.172 -1.560 170 HD12 LEU 21 HD12 LEU 21 -7.972 -1.909 -1.534 171 HD13 LEU 21 HD13 LEU 21 -7.792 -1.048 -0.013 172 HD21 LEU 21 HD21 LEU 21 -9.841 -1.835 0.860 173 HD22 LEU 21 HD22 LEU 21 -9.976 -2.862 -0.596 174 HD23 LEU 21 HD23 LEU 21 -11.352 -1.851 -0.112 175 H LEU 22 H LEU 22 -7.793 2.209 0.116 176 HA LEU 22 HA LEU 22 -6.358 0.114 1.556 177 HB2 LEU 22 HB2 LEU 22 -5.357 1.095 -0.452 178 HB3 LEU 22 HB3 LEU 22 -5.348 2.698 0.287 179 HG LEU 22 HG LEU 22 -3.721 1.945 2.000 180 HD11 LEU 22 HD11 LEU 22 -3.794 -0.711 0.534 181 HD12 LEU 22 HD12 LEU 22 -4.277 -0.433 2.213 182 HD13 LEU 22 HD13 LEU 22 -2.586 -0.253 1.751 183 HD21 LEU 22 HD21 LEU 22 -2.973 1.414 -0.884 184 HD22 LEU 22 HD22 LEU 22 -1.793 1.514 0.445 185 HD23 LEU 22 HD23 LEU 22 -2.793 2.912 0.052 186 H ASN 23 H ASN 23 -7.043 3.482 2.003 187 HA ASN 23 HA ASN 23 -5.689 4.057 4.417 188 HB2 ASN 23 HB2 ASN 23 -7.995 5.167 2.778 189 HB3 ASN 23 HB3 ASN 23 -7.604 5.913 4.249 190 HD21 ASN 23 HD21 ASN 23 -7.405 7.195 1.865 191 HD22 ASN 23 HD22 ASN 23 -5.702 7.492 1.494 192 H ILE 24 H ILE 24 -8.701 2.300 4.076 193 HA ILE 24 HA ILE 24 -8.959 2.293 7.061 194 HB ILE 24 HB ILE 24 -11.018 1.147 6.811 195 HG12 ILE 24 HG12 ILE 24 -10.393 1.003 3.864 196 HG13 ILE 24 HG13 ILE 24 -10.651 -0.309 4.975 197 HG21 ILE 24 HG21 ILE 24 -10.999 3.551 4.959 198 HG22 ILE 24 HG22 ILE 24 -12.362 2.936 5.909 199 HG23 ILE 24 HG23 ILE 24 -10.954 3.615 6.727 200 HD11 ILE 24 HD11 ILE 24 -12.772 1.618 3.953 201 HD12 ILE 24 HD12 ILE 24 -12.596 -0.103 3.577 202 HD13 ILE 24 HD13 ILE 24 -13.052 0.394 5.220 203 H LEU 25 H LEU 25 -7.922 0.219 4.412 204 HA LEU 25 HA LEU 25 -7.955 -2.243 5.844 205 HB2 LEU 25 HB2 LEU 25 -8.052 -2.035 3.429 206 HB3 LEU 25 HB3 LEU 25 -6.470 -1.262 3.389 207 HG LEU 25 HG LEU 25 -5.406 -3.381 4.154 208 HD11 LEU 25 HD11 LEU 25 -7.312 -4.433 5.322 209 HD12 LEU 25 HD12 LEU 25 -6.722 -5.481 4.027 210 HD13 LEU 25 HD13 LEU 25 -8.210 -4.536 3.790 211 HD21 LEU 25 HD21 LEU 25 -5.689 -4.564 2.015 212 HD22 LEU 25 HD22 LEU 25 -5.564 -2.816 1.766 213 HD23 LEU 25 HD23 LEU 25 -7.150 -3.611 1.669 214 H ILE 26 H ILE 26 -5.514 0.315 5.605 215 HA ILE 26 HA ILE 26 -3.405 -1.195 6.928 216 HB ILE 26 HB ILE 26 -2.151 0.863 6.964 217 HG12 ILE 26 HG12 ILE 26 -4.503 2.337 5.719 218 HG13 ILE 26 HG13 ILE 26 -4.177 2.367 7.447 219 HG21 ILE 26 HG21 ILE 26 -2.201 -0.521 4.940 220 HG22 ILE 26 HG22 ILE 26 -3.524 0.461 4.293 221 HG23 ILE 26 HG23 ILE 26 -1.930 1.184 4.569 222 HD11 ILE 26 HD11 ILE 26 -3.199 4.328 6.438 223 HD12 ILE 26 HD12 ILE 26 -1.904 3.260 7.027 224 HD13 ILE 26 HD13 ILE 26 -2.278 3.345 5.285 225 H ASN 27 H ASN 27 -2.281 0.250 8.787 226 HA ASN 27 HA ASN 27 -3.555 -0.675 11.108 227 HB2 ASN 27 HB2 ASN 27 -1.672 0.376 12.270 228 HB3 ASN 27 HB3 ASN 27 -1.130 -0.494 10.841 229 HD21 ASN 27 HD21 ASN 27 -0.053 0.730 9.165 230 HD22 ASN 27 HD22 ASN 27 0.233 2.448 9.357 231 H HIS 28 H HIS 28 -3.794 2.565 9.735 232 HA HIS 28 HA HIS 28 -5.770 3.307 11.801 233 HB2 HIS 28 HB2 HIS 28 -3.514 4.068 12.606 234 HB3 HIS 28 HB3 HIS 28 -3.361 5.053 11.152 235 HD1 HIS 28 HD1 HIS 28 -5.679 4.787 14.270 236 HD2 HIS 28 HD2 HIS 28 -4.396 7.474 11.292 237 HE1 HIS 28 HE1 HIS 28 -6.657 7.061 14.887 238 H GLU 29 H GLU 29 -7.165 5.023 11.214 239 HA GLU 29 HA GLU 29 -7.970 4.956 8.478 240 HB2 GLU 29 HB2 GLU 29 -9.444 5.141 10.470 241 HB3 GLU 29 HB3 GLU 29 -8.901 6.807 10.699 242 HG2 GLU 29 HG2 GLU 29 -9.861 7.444 8.526 243 HG3 GLU 29 HG3 GLU 29 -10.263 5.759 8.178 244 H TYR 30 H TYR 30 -7.972 6.498 6.849 245 HA TYR 30 HA TYR 30 -6.375 8.981 7.221 246 HB2 TYR 30 HB2 TYR 30 -5.076 6.859 6.429 247 HB3 TYR 30 HB3 TYR 30 -5.826 7.190 4.893 248 HD1 TYR 30 HD2 TYR 30 -3.763 8.769 7.583 249 HD2 TYR 30 HD1 TYR 30 -4.713 8.637 3.374 250 HE1 TYR 30 HE2 TYR 30 -1.824 10.254 7.090 251 HE2 TYR 30 HE1 TYR 30 -2.815 10.134 2.898 252 HH TYR 30 HH TYR 30 -0.624 11.349 5.463 253 H ALA 31 H ALA 31 -6.796 8.772 3.883 254 HA ALA 31 HA ALA 31 -7.383 10.438 2.672 255 HB1 ALA 31 HB1 ALA 31 -9.800 10.659 2.309 256 HB2 ALA 31 HB2 ALA 31 -9.241 8.967 2.474 257 HB3 ALA 31 HB3 ALA 31 -10.105 9.774 3.813 258 H ILE 32 H ILE 32 -8.874 11.059 5.789 259 HA ILE 32 HA ILE 32 -9.349 13.796 5.366 260 HB ILE 32 HB ILE 32 -9.285 11.974 7.755 261 HG12 ILE 32 HG12 ILE 32 -11.196 11.845 6.219 262 HG13 ILE 32 HG13 ILE 32 -11.658 12.375 7.833 263 HG21 ILE 32 HG21 ILE 32 -9.908 14.930 8.034 264 HG22 ILE 32 HG22 ILE 32 -10.103 13.620 9.239 265 HG23 ILE 32 HG23 ILE 32 -8.509 14.077 8.718 266 HD11 ILE 32 HD11 ILE 32 -12.878 13.585 6.028 267 HD12 ILE 32 HD12 ILE 32 -11.960 14.683 7.058 268 HD13 ILE 32 HD13 ILE 32 -11.376 14.250 5.432 269 H GLU 33 H GLU 33 -6.465 12.322 6.777 270 HA GLU 33 HA GLU 33 -5.111 14.707 7.542 271 HB2 GLU 33 HB2 GLU 33 -4.204 12.081 6.379 272 HB3 GLU 33 HB3 GLU 33 -3.027 13.373 6.604 273 HG2 GLU 33 HG2 GLU 33 -4.825 12.541 8.907 274 HG3 GLU 33 HG3 GLU 33 -3.394 11.606 8.498 275 H LEU 34 H LEU 34 -5.538 13.269 4.298 276 HA LEU 34 HA LEU 34 -4.158 15.368 2.924 277 HB2 LEU 34 HB2 LEU 34 -6.440 13.781 1.687 278 HB3 LEU 34 HB3 LEU 34 -5.096 14.579 0.902 279 HG LEU 34 HG LEU 34 -5.022 11.989 2.486 280 HD11 LEU 34 HD11 LEU 34 -4.319 11.035 0.355 281 HD12 LEU 34 HD12 LEU 34 -4.281 12.644 -0.396 282 HD13 LEU 34 HD13 LEU 34 -5.827 11.944 0.112 283 HD21 LEU 34 HD21 LEU 34 -2.597 11.925 1.738 284 HD22 LEU 34 HD22 LEU 34 -2.963 13.035 3.059 285 HD23 LEU 34 HD23 LEU 34 -2.729 13.661 1.398 286 H LEU 35 H LEU 35 -7.670 14.926 3.657 287 HA LEU 35 HA LEU 35 -8.703 17.170 2.323 288 HB2 LEU 35 HB2 LEU 35 -9.948 15.376 3.574 289 HB3 LEU 35 HB3 LEU 35 -9.483 16.072 5.078 290 HG LEU 35 HG LEU 35 -11.861 16.424 3.887 291 HD11 LEU 35 HD11 LEU 35 -12.282 18.219 5.455 292 HD12 LEU 35 HD12 LEU 35 -10.535 18.469 5.678 293 HD13 LEU 35 HD13 LEU 35 -11.301 16.955 6.210 294 HD21 LEU 35 HD21 LEU 35 -12.229 18.583 3.021 295 HD22 LEU 35 HD22 LEU 35 -10.872 17.979 2.071 296 HD23 LEU 35 HD23 LEU 35 -10.590 19.118 3.393 297 H SER 36 H SER 36 -7.563 17.161 5.792 298 HA SER 36 HA SER 36 -7.890 19.974 6.111 299 HB2 SER 36 HB2 SER 36 -7.744 18.220 7.912 300 HB3 SER 36 HB3 SER 36 -5.998 18.210 7.647 301 HG SER 36 HG SER 36 -7.645 20.377 8.492 302 H SER 37 H SER 37 -5.018 18.035 5.145 303 HA SER 37 HA SER 37 -3.190 20.175 5.183 304 HB2 SER 37 HB2 SER 37 -2.795 17.624 4.798 305 HB3 SER 37 HB3 SER 37 -2.898 18.038 3.082 306 HG SER 37 HG SER 37 -1.177 19.467 3.373 307 H GLU 38 H GLU 38 -5.352 18.933 2.719 308 HA GLU 38 HA GLU 38 -4.626 20.550 0.455 309 HB2 GLU 38 HB2 GLU 38 -6.990 18.801 1.201 310 HB3 GLU 38 HB3 GLU 38 -7.142 19.792 -0.193 311 HG2 GLU 38 HG2 GLU 38 -4.894 17.775 0.242 312 HG3 GLU 38 HG3 GLU 38 -6.360 17.489 -0.691 313 H ILE 39 H ILE 39 -7.365 20.891 2.772 314 HA ILE 39 HA ILE 39 -8.443 23.179 1.458 315 HB ILE 39 HB ILE 39 -9.617 23.641 3.583 316 HG12 ILE 39 HG12 ILE 39 -9.521 21.295 5.039 317 HG13 ILE 39 HG13 ILE 39 -7.831 21.580 4.660 318 HG21 ILE 39 HG21 ILE 39 -11.016 21.545 3.335 319 HG22 ILE 39 HG22 ILE 39 -10.561 22.332 1.823 320 HG23 ILE 39 HG23 ILE 39 -9.701 20.874 2.337 321 HD11 ILE 39 HD11 ILE 39 -8.058 23.891 5.670 322 HD12 ILE 39 HD12 ILE 39 -9.750 23.505 6.044 323 HD13 ILE 39 HD13 ILE 39 -8.439 22.592 6.818 324 H ASN 40 H ASN 40 -6.159 22.848 4.208 325 HA ASN 40 HA ASN 40 -5.860 25.733 4.341 326 HB2 ASN 40 HB2 ASN 40 -4.457 25.521 6.047 327 HB3 ASN 40 HB3 ASN 40 -5.333 24.002 6.189 328 HD21 ASN 40 HD21 ASN 40 -4.176 22.088 5.857 329 HD22 ASN 40 HD22 ASN 40 -2.428 22.075 5.625 330 H ASP 41 H ASP 41 -4.241 23.391 2.234 331 HA ASP 41 HA ASP 41 -2.083 25.205 1.524 332 HB2 ASP 41 HB2 ASP 41 -2.200 22.643 1.217 333 HB3 ASP 41 HB3 ASP 41 -3.146 22.977 -0.233 334 H ILE 42 H ILE 42 -5.427 24.846 0.555 335 HA ILE 42 HA ILE 42 -5.141 26.832 -1.654 336 HB ILE 42 HB ILE 42 -7.493 25.285 -0.549 337 HG12 ILE 42 HG12 ILE 42 -7.665 24.655 -2.993 338 HG13 ILE 42 HG13 ILE 42 -6.184 25.549 -3.306 339 HG21 ILE 42 HG21 ILE 42 -8.916 26.431 -2.247 340 HG22 ILE 42 HG22 ILE 42 -8.403 27.524 -0.969 341 HG23 ILE 42 HG23 ILE 42 -7.599 27.583 -2.557 342 HD11 ILE 42 HD11 ILE 42 -6.526 23.086 -1.567 343 HD12 ILE 42 HD12 ILE 42 -5.712 23.158 -3.141 344 HD13 ILE 42 HD13 ILE 42 -4.976 23.932 -1.746 345 H GLU 43 H GLU 43 -6.571 26.738 1.590 346 HA GLU 43 HA GLU 43 -7.581 29.383 1.592 347 HB2 GLU 43 HB2 GLU 43 -8.064 27.456 3.201 348 HB3 GLU 43 HB3 GLU 43 -6.601 27.870 4.053 349 HG2 GLU 43 HG2 GLU 43 -8.546 28.851 5.163 350 HG3 GLU 43 HG3 GLU 43 -7.455 30.098 4.591 351 H THR 44 H THR 44 -4.525 28.212 2.946 352 HA THR 44 HA THR 44 -3.522 31.036 3.146 353 HB THR 44 HB THR 44 -3.981 30.226 5.354 354 HG1 THR 44 HG1 THR 44 -2.203 31.535 5.159 355 HG21 THR 44 HG21 THR 44 -2.086 27.925 4.749 356 HG22 THR 44 HG22 THR 44 -3.807 27.835 5.195 357 HG23 THR 44 HG23 THR 44 -2.624 28.405 6.373 358 H GLY 45 H GLY 45 -2.552 27.646 2.375 359 HA2 GLY 45 HA2 GLY 45 0.076 28.312 1.484 360 HA3 GLY 45 HA3 GLY 45 -0.884 26.942 0.933 361 H THR 46 H THR 46 -2.957 29.028 -0.021 362 HA THR 46 HA THR 46 -3.606 30.071 -1.837 363 HB THR 46 HB THR 46 -2.311 31.825 -0.785 364 HG1 THR 46 HG1 THR 46 -2.521 33.193 -2.517 365 HG21 THR 46 HG21 THR 46 0.002 31.280 -1.112 366 HG22 THR 46 HG22 THR 46 -0.343 32.782 -1.966 367 HG23 THR 46 HG23 THR 46 -0.179 31.269 -2.880 368 H LYS 47 H LYS 47 -2.809 27.517 -2.322 369 HA LYS 47 HA LYS 47 -1.854 27.251 -5.062 370 HB2 LYS 47 HB2 LYS 47 -3.847 25.589 -3.453 371 HB3 LYS 47 HB3 LYS 47 -3.214 25.148 -5.022 372 HG2 LYS 47 HG2 LYS 47 -1.713 25.302 -2.399 373 HG3 LYS 47 HG3 LYS 47 -2.080 23.876 -3.346 374 HD2 LYS 47 HD2 LYS 47 -0.124 26.090 -4.093 375 HD3 LYS 47 HD3 LYS 47 0.279 24.481 -3.495 376 HE2 LYS 47 HE2 LYS 47 -0.789 23.452 -5.493 377 HE3 LYS 47 HE3 LYS 47 -1.151 25.062 -6.128 378 HZ1 LYS 47 HZ1 LYS 47 0.904 24.179 -7.076 379 HZ2 LYS 47 HZ2 LYS 47 1.580 24.011 -5.601 380 HZ3 LYS 47 HZ3 LYS 47 1.253 25.502 -6.185 381 H ASN 48 H ASN 48 -3.046 27.249 -7.003 382 HA ASN 48 HA ASN 48 -5.856 28.037 -6.997 383 HB2 ASN 48 HB2 ASN 48 -5.591 30.062 -8.244 384 HB3 ASN 48 HB3 ASN 48 -4.635 30.210 -6.781 385 HD21 ASN 48 HD22 ASN 48 -4.577 30.690 -10.126 386 HD22 ASN 48 HD21 ASN 48 -2.833 30.770 -10.310 387 H VAL 49 H VAL 49 -6.935 27.305 -8.718 388 HA VAL 49 HA VAL 49 -5.866 26.642 -11.302 389 HB VAL 49 HB VAL 49 -4.864 24.768 -10.172 390 HG11 VAL 49 HG11 VAL 49 -6.193 24.615 -8.138 391 HG12 VAL 49 HG12 VAL 49 -7.589 24.046 -9.080 392 HG13 VAL 49 HG13 VAL 49 -6.118 23.053 -8.954 393 HG21 VAL 49 HG21 VAL 49 -5.670 22.873 -11.326 394 HG22 VAL 49 HG22 VAL 49 -7.287 23.551 -11.519 395 HG23 VAL 49 HG23 VAL 49 -5.906 24.265 -12.398 396 H ASP 50 H ASP 50 -7.591 25.466 -12.572 397 HA ASP 50 HA ASP 50 -10.321 26.390 -12.337 398 HB2 ASP 50 HB2 ASP 50 -9.176 24.007 -13.832 399 HB3 ASP 50 HB3 ASP 50 -10.675 24.846 -14.181 400 H GLY 51 H GLY 51 -12.012 24.287 -12.595 401 HA2 GLY 51 HA2 GLY 51 -12.760 23.490 -10.179 402 HA3 GLY 51 HA3 GLY 51 -13.127 22.556 -11.613 403 H THR 52 H THR 52 -9.909 22.104 -11.434 404 HA THR 52 HA THR 52 -9.898 19.429 -10.509 405 HB THR 52 HB THR 52 -7.701 21.539 -10.521 406 HG1 THR 52 HG1 THR 52 -7.167 20.507 -12.466 407 HG21 THR 52 HG21 THR 52 -7.523 18.507 -10.344 408 HG22 THR 52 HG22 THR 52 -7.069 19.649 -9.062 409 HG23 THR 52 HG23 THR 52 -6.143 19.615 -10.570 410 H THR 53 H THR 53 -8.528 22.249 -8.606 411 HA THR 53 HA THR 53 -8.473 20.691 -6.249 412 HB THR 53 HB THR 53 -7.100 22.715 -6.759 413 HG1 THR 53 HG1 THR 53 -8.438 22.552 -4.273 414 HG21 THR 53 HG21 THR 53 -7.814 24.912 -6.126 415 HG22 THR 53 HG22 THR 53 -9.391 24.333 -5.565 416 HG23 THR 53 HG23 THR 53 -9.004 24.314 -7.298 417 H TYR 54 H TYR 54 -10.978 22.854 -7.444 418 HA TYR 54 HA TYR 54 -12.744 22.994 -5.221 419 HB2 TYR 54 HB2 TYR 54 -13.282 22.685 -8.206 420 HB3 TYR 54 HB3 TYR 54 -14.538 22.956 -7.033 421 HD1 TYR 54 HD1 TYR 54 -11.478 24.550 -8.513 422 HD2 TYR 54 HD2 TYR 54 -15.040 25.083 -6.139 423 HE1 TYR 54 HE1 TYR 54 -11.178 27.016 -8.628 424 HE2 TYR 54 HE2 TYR 54 -14.742 27.556 -6.255 425 HH TYR 54 HH TYR 54 -13.464 29.287 -7.049 426 H LYS 55 H LYS 55 -12.735 20.588 -7.925 427 HA LYS 55 HA LYS 55 -14.556 18.890 -6.799 428 HB2 LYS 55 HB2 LYS 55 -13.983 19.161 -9.167 429 HB3 LYS 55 HB3 LYS 55 -12.449 18.418 -8.923 430 HG2 LYS 55 HG2 LYS 55 -13.886 16.501 -9.502 431 HG3 LYS 55 HG3 LYS 55 -14.073 16.486 -7.774 432 HD2 LYS 55 HD2 LYS 55 -15.931 18.341 -8.240 433 HD3 LYS 55 HD3 LYS 55 -15.934 17.643 -9.857 434 HE2 LYS 55 HE2 LYS 55 -16.307 15.362 -8.881 435 HE3 LYS 55 HE3 LYS 55 -16.384 16.081 -7.271 436 HZ1 LYS 55 HZ1 LYS 55 -18.334 17.367 -8.023 437 HZ2 LYS 55 HZ2 LYS 55 -18.608 15.768 -8.210 438 HZ3 LYS 55 HZ3 LYS 55 -18.254 16.688 -9.508 439 H LYS 56 H LYS 56 -10.981 18.600 -6.579 440 HA LYS 56 HA LYS 56 -10.864 16.255 -4.922 441 HB2 LYS 56 HB2 LYS 56 -9.054 18.626 -5.212 442 HB3 LYS 56 HB3 LYS 56 -8.814 17.432 -3.932 443 HG2 LYS 56 HG2 LYS 56 -7.531 16.573 -5.636 444 HG3 LYS 56 HG3 LYS 56 -9.023 15.626 -5.764 445 HD2 LYS 56 HD2 LYS 56 -9.763 17.022 -7.662 446 HD3 LYS 56 HD3 LYS 56 -8.212 17.907 -7.595 447 HE2 LYS 56 HE2 LYS 56 -6.960 15.906 -8.047 448 HE3 LYS 56 HE3 LYS 56 -8.364 14.883 -7.754 449 HZ1 LYS 56 HZ1 LYS 56 -8.113 16.706 -10.079 450 HZ2 LYS 56 HZ2 LYS 56 -9.384 15.708 -9.773 451 HZ3 LYS 56 HZ3 LYS 56 -7.925 15.086 -10.113 452 H LEU 57 H LEU 57 -11.337 19.651 -3.823 453 HA LEU 57 HA LEU 57 -11.454 18.964 -1.027 454 HB2 LEU 57 HB2 LEU 57 -10.654 20.982 -1.946 455 HB3 LEU 57 HB3 LEU 57 -12.204 21.431 -2.646 456 HG LEU 57 HG LEU 57 -11.723 21.187 0.344 457 HD11 LEU 57 HD11 LEU 57 -11.570 23.699 0.256 458 HD12 LEU 57 HD12 LEU 57 -11.657 23.621 -1.511 459 HD13 LEU 57 HD13 LEU 57 -10.265 22.922 -0.656 460 HD21 LEU 57 HD21 LEU 57 -13.696 22.762 0.469 461 HD22 LEU 57 HD22 LEU 57 -14.126 21.164 -0.110 462 HD23 LEU 57 HD23 LEU 57 -13.947 22.500 -1.266 463 H VAL 58 H VAL 58 -13.989 19.572 -3.472 464 HA VAL 58 HA VAL 58 -16.092 19.213 -1.512 465 HB VAL 58 HB VAL 58 -16.112 20.753 -3.514 466 HG11 VAL 58 HG11 VAL 58 -15.532 18.814 -5.103 467 HG12 VAL 58 HG12 VAL 58 -17.253 18.435 -5.092 468 HG13 VAL 58 HG13 VAL 58 -16.685 20.039 -5.650 469 HG21 VAL 58 HG21 VAL 58 -18.545 18.994 -3.144 470 HG22 VAL 58 HG22 VAL 58 -18.086 20.382 -2.115 471 HG23 VAL 58 HG23 VAL 58 -18.512 20.638 -3.816 472 H THR 59 H THR 59 -14.351 17.032 -3.623 473 HA THR 59 HA THR 59 -16.331 14.905 -3.443 474 HB THR 59 HB THR 59 -14.576 15.073 -5.258 475 HG1 THR 59 HG1 THR 59 -15.855 13.294 -5.055 476 HG21 THR 59 HG21 THR 59 -12.534 15.263 -4.171 477 HG22 THR 59 HG22 THR 59 -12.548 13.610 -4.771 478 HG23 THR 59 HG23 THR 59 -12.807 13.929 -3.056 479 H LEU 60 H LEU 60 -13.454 15.865 -1.621 480 HA LEU 60 HA LEU 60 -13.153 13.748 0.169 481 HB2 LEU 60 HB2 LEU 60 -12.669 16.654 0.401 482 HB3 LEU 60 HB3 LEU 60 -12.928 15.833 1.926 483 HG LEU 60 HG LEU 60 -10.608 15.956 1.439 484 HD11 LEU 60 HD11 LEU 60 -11.449 13.889 2.597 485 HD12 LEU 60 HD12 LEU 60 -9.836 13.844 1.855 486 HD13 LEU 60 HD13 LEU 60 -11.214 13.040 1.048 487 HD21 LEU 60 HD21 LEU 60 -9.607 14.594 -0.401 488 HD22 LEU 60 HD22 LEU 60 -10.375 16.130 -0.802 489 HD23 LEU 60 HD23 LEU 60 -11.237 14.603 -1.143 490 H TYR 61 H TYR 61 -15.448 16.431 0.665 491 HA TYR 61 HA TYR 61 -16.825 14.999 2.819 492 HB2 TYR 61 HB2 TYR 61 -17.921 16.829 3.315 493 HB3 TYR 61 HB3 TYR 61 -16.862 17.647 2.162 494 HD1 TYR 61 HD2 TYR 61 -17.785 18.320 -0.088 495 HD2 TYR 61 HD1 TYR 61 -20.265 16.388 2.845 496 HE1 TYR 61 HE2 TYR 61 -19.839 18.972 -1.350 497 HE2 TYR 61 HE1 TYR 61 -22.289 17.083 1.624 498 HH TYR 61 HH TYR 61 -22.122 18.855 -1.482 499 H ASP 62 H ASP 62 -17.394 15.288 -0.612 500 HA ASP 62 HA ASP 62 -19.985 14.170 -0.811 501 HB2 ASP 62 HB2 ASP 62 -18.723 15.117 -2.764 502 HB3 ASP 62 HB3 ASP 62 -17.780 13.611 -2.796 503 H ARG 63 H ARG 63 -16.945 12.484 -0.026 504 HA ARG 63 HA ARG 63 -18.764 10.129 0.433 505 HB2 ARG 63 HB2 ARG 63 -15.852 9.763 -0.290 506 HB3 ARG 63 HB3 ARG 63 -17.036 8.498 0.086 507 HG2 ARG 63 HG2 ARG 63 -17.135 10.270 -2.350 508 HG3 ARG 63 HG3 ARG 63 -16.681 8.551 -2.218 509 HD2 ARG 63 HD2 ARG 63 -18.713 7.776 -2.135 510 HD3 ARG 63 HD3 ARG 63 -19.355 9.053 -1.131 511 HE ARG 63 HE ARG 63 -19.214 10.539 -3.241 512 HH11 ARG 63 HH11 ARG 63 -20.403 7.226 -3.296 513 HH12 ARG 63 HH12 ARG 63 -21.560 7.624 -4.538 514 HH21 ARG 63 HH21 ARG 63 -20.569 10.940 -4.675 515 HH22 ARG 63 HH22 ARG 63 -21.652 9.723 -5.361 516 H PHE 64 H PHE 64 -16.303 12.073 2.053 517 HA PHE 64 HA PHE 64 -16.127 10.313 4.314 518 HB2 PHE 64 HB2 PHE 64 -14.524 12.037 4.022 519 HB3 PHE 64 HB3 PHE 64 -15.785 13.267 3.930 520 HD1 PHE 64 HD2 PHE 64 -13.945 10.941 6.231 521 HD2 PHE 64 HD1 PHE 64 -16.806 14.134 5.959 522 HE1 PHE 64 HE2 PHE 64 -13.797 11.295 8.692 523 HE2 PHE 64 HE1 PHE 64 -16.747 14.430 8.411 524 HZ PHE 64 HZ PHE 64 -15.254 12.979 9.797 525 H ARG 65 H ARG 65 -18.407 13.077 3.691 526 HA ARG 65 HA ARG 65 -19.731 12.845 6.263 527 HB2 ARG 65 HB2 ARG 65 -20.217 14.323 3.627 528 HB3 ARG 65 HB3 ARG 65 -21.242 14.533 4.955 529 HG2 ARG 65 HG2 ARG 65 -18.339 15.257 4.884 530 HG3 ARG 65 HG3 ARG 65 -19.694 16.387 4.890 531 HD2 ARG 65 HD2 ARG 65 -19.000 14.523 7.138 532 HD3 ARG 65 HD3 ARG 65 -18.556 16.223 7.081 533 HE ARG 65 HE ARG 65 -21.032 16.741 7.002 534 HH11 ARG 65 HH11 ARG 65 -20.054 13.749 8.545 535 HH12 ARG 65 HH12 ARG 65 -21.176 13.967 9.862 536 HH21 ARG 65 HH21 ARG 65 -22.585 16.821 8.588 537 HH22 ARG 65 HH22 ARG 65 -22.703 15.516 9.737 538 H PHE 66 H PHE 66 -20.387 11.857 3.076 539 HA PHE 66 HA PHE 66 -22.988 10.615 3.676 540 HB2 PHE 66 HB2 PHE 66 -21.343 10.787 1.143 541 HB3 PHE 66 HB3 PHE 66 -22.869 9.938 1.240 542 HD1 PHE 66 HD1 PHE 66 -24.968 11.234 2.020 543 HD2 PHE 66 HD2 PHE 66 -21.325 13.147 0.737 544 HE1 PHE 66 HE1 PHE 66 -26.231 13.320 1.535 545 HE2 PHE 66 HE2 PHE 66 -22.598 15.203 0.187 546 HZ PHE 66 HZ PHE 66 -25.048 15.306 0.611 547 H GLU 67 H GLU 67 -19.940 9.166 2.377 548 HA GLU 67 HA GLU 67 -21.186 6.491 2.676 549 HB2 GLU 67 HB2 GLU 67 -19.002 7.519 0.794 550 HB3 GLU 67 HB3 GLU 67 -19.390 5.821 1.029 551 HG2 GLU 67 HG2 GLU 67 -21.320 7.984 0.071 552 HG3 GLU 67 HG3 GLU 67 -20.517 6.793 -0.943 553 H ASN 68 H ASN 68 -17.864 7.622 2.816 554 HA ASN 68 HA ASN 68 -17.219 5.839 5.054 555 HB2 ASN 68 HB2 ASN 68 -15.313 4.817 3.656 556 HB3 ASN 68 HB3 ASN 68 -16.950 4.233 3.414 557 HD21 ASN 68 HD21 ASN 68 -15.264 7.035 2.086 558 HD22 ASN 68 HD22 ASN 68 -15.497 6.569 0.377 559 H1 GLY 1 H1 GLY 1 -12.056 22.019 31.954 560 H2 GLY 1 H2 GLY 1 -11.681 21.364 33.410 561 H3 GLY 1 H3 GLY 1 -12.247 22.898 33.323 562 HA2 GLY 1 HA2 GLY 1 -13.993 21.433 34.107 563 HA3 GLY 1 HA3 GLY 1 -14.391 22.154 32.539 564 H SER 2 H SER 2 -13.839 19.222 34.261 565 HA SER 2 HA SER 2 -13.368 17.515 31.934 566 HB2 SER 2 HB2 SER 2 -13.827 16.844 34.848 567 HB3 SER 2 HB3 SER 2 -13.309 15.719 33.581 568 HG SER 2 HG SER 2 -11.528 16.560 34.761 569 H HIS 3 H HIS 3 -16.828 16.622 31.340 570 HA HIS 3 HA HIS 3 -14.316 17.741 30.165 571 HB2 HIS 3 HB2 HIS 3 -15.748 15.220 29.283 572 HB3 HIS 3 HB3 HIS 3 -14.361 15.960 28.475 573 HD1 HIS 3 HD1 HIS 3 -15.301 13.536 31.194 574 HD2 HIS 3 HD2 HIS 3 -11.968 15.873 30.134 575 HE1 HIS 3 HE1 HIS 3 -13.329 12.622 32.525 576 H MET 4 H MET 4 -15.425 19.684 29.896 577 HA MET 4 HA MET 4 -17.967 19.804 28.468 578 HB2 MET 4 HB2 MET 4 -15.977 21.917 29.397 579 HB3 MET 4 HB3 MET 4 -17.413 22.311 28.456 580 HG2 MET 4 HG2 MET 4 -17.982 22.688 30.703 581 HG3 MET 4 HG3 MET 4 -18.848 21.249 30.182 582 HE1 MET 4 HE1 MET 4 -18.661 22.191 33.196 583 HE2 MET 4 HE2 MET 4 -19.512 20.720 32.667 584 HE3 MET 4 HE3 MET 4 -18.354 20.642 34.013 585 H ARG 5 H ARG 5 -18.264 21.082 26.452 586 HA ARG 5 HA ARG 5 -15.935 21.021 24.596 587 HB2 ARG 5 HB2 ARG 5 -17.862 19.118 24.403 588 HB3 ARG 5 HB3 ARG 5 -18.623 20.355 23.432 589 HG2 ARG 5 HG2 ARG 5 -16.394 20.533 22.165 590 HG3 ARG 5 HG3 ARG 5 -15.876 19.107 22.992 591 HD2 ARG 5 HD2 ARG 5 -16.569 18.348 20.947 592 HD3 ARG 5 HD3 ARG 5 -17.732 17.790 22.132 593 HE ARG 5 HE ARG 5 -18.378 20.311 20.646 594 HH11 ARG 5 HH11 ARG 5 -19.120 16.902 20.970 595 HH12 ARG 5 HH12 ARG 5 -20.655 17.087 20.170 596 HH21 ARG 5 HH21 ARG 5 -20.239 20.463 19.578 597 HH22 ARG 5 HH22 ARG 5 -21.288 19.076 19.414 598 H MET 6 H MET 6 -15.849 22.641 23.092 599 HA MET 6 HA MET 6 -18.013 24.644 23.186 600 HB2 MET 6 HB2 MET 6 -15.044 25.145 22.844 601 HB3 MET 6 HB3 MET 6 -16.280 26.404 22.942 602 HG2 MET 6 HG2 MET 6 -15.582 24.468 25.175 603 HG3 MET 6 HG3 MET 6 -15.026 26.135 25.050 604 HE1 MET 6 HE1 MET 6 -15.821 26.443 27.568 605 HE2 MET 6 HE2 MET 6 -17.482 26.138 28.122 606 HE3 MET 6 HE3 MET 6 -16.459 24.782 27.600 607 H SER 7 H SER 7 -17.251 22.476 21.163 608 HA SER 7 HA SER 7 -17.081 22.066 19.046 609 HB2 SER 7 HB2 SER 7 -19.129 24.275 18.844 610 HB3 SER 7 HB3 SER 7 -18.760 23.132 17.535 611 HG SER 7 HG SER 7 -20.529 22.592 19.069 612 H LEU 8 H LEU 8 -17.373 25.584 18.156 613 HA LEU 8 HA LEU 8 -14.537 25.404 17.240 614 HB2 LEU 8 HB2 LEU 8 -16.495 26.693 15.356 615 HB3 LEU 8 HB3 LEU 8 -14.875 26.177 15.113 616 HG LEU 8 HG LEU 8 -16.926 24.016 15.671 617 HD11 LEU 8 HD11 LEU 8 -16.458 25.292 12.969 618 HD12 LEU 8 HD12 LEU 8 -17.958 25.360 13.929 619 HD13 LEU 8 HD13 LEU 8 -17.383 23.804 13.319 620 HD21 LEU 8 HD21 LEU 8 -14.420 24.259 13.971 621 HD22 LEU 8 HD22 LEU 8 -15.364 22.772 14.219 622 HD23 LEU 8 HD23 LEU 8 -14.500 23.518 15.588 623 H ILE 9 H ILE 9 -13.860 26.653 18.931 624 HA ILE 9 HA ILE 9 -14.910 29.261 19.507 625 HB ILE 9 HB ILE 9 -12.070 28.385 20.089 626 HG12 ILE 9 HG12 ILE 9 -14.519 27.356 21.560 627 HG13 ILE 9 HG13 ILE 9 -13.415 26.389 20.634 628 HG21 ILE 9 HG21 ILE 9 -12.366 29.717 22.114 629 HG22 ILE 9 HG22 ILE 9 -12.846 30.683 20.727 630 HG23 ILE 9 HG23 ILE 9 -14.091 29.942 21.754 631 HD11 ILE 9 HD11 ILE 9 -11.561 27.064 22.172 632 HD12 ILE 9 HD12 ILE 9 -12.803 27.754 23.252 633 HD13 ILE 9 HD13 ILE 9 -12.819 26.025 22.860 634 H GLY 10 H GLY 10 -12.451 28.031 17.341 635 HA2 GLY 10 HA2 GLY 10 -11.585 29.208 15.392 636 HA3 GLY 10 HA3 GLY 10 -11.892 30.739 16.176 637 H GLU 11 H GLU 11 -10.591 28.824 18.565 638 HA GLU 11 HA GLU 11 -7.726 29.090 17.795 639 HB2 GLU 11 HB2 GLU 11 -7.348 29.562 20.321 640 HB3 GLU 11 HB3 GLU 11 -7.647 30.882 19.175 641 HG2 GLU 11 HG2 GLU 11 -10.045 30.942 19.939 642 HG3 GLU 11 HG3 GLU 11 -9.653 29.719 21.149 643 H ARG 12 H ARG 12 -9.526 27.986 20.662 644 HA ARG 12 HA ARG 12 -9.570 26.027 21.780 645 HB2 ARG 12 HB2 ARG 12 -9.119 24.266 19.469 646 HB3 ARG 12 HB3 ARG 12 -10.162 24.218 20.860 647 HG2 ARG 12 HG2 ARG 12 -11.807 24.536 19.502 648 HG3 ARG 12 HG3 ARG 12 -11.434 26.223 19.677 649 HD2 ARG 12 HD2 ARG 12 -11.762 25.665 17.307 650 HD3 ARG 12 HD3 ARG 12 -10.099 26.157 17.563 651 HE ARG 12 HE ARG 12 -11.068 23.335 17.199 652 HH11 ARG 12 HH11 ARG 12 -8.432 25.607 16.833 653 HH12 ARG 12 HH12 ARG 12 -7.603 24.563 15.711 654 HH21 ARG 12 HH21 ARG 12 -9.772 21.958 15.952 655 HH22 ARG 12 HH22 ARG 12 -8.219 22.520 15.430 656 H PHE 13 H PHE 13 -7.124 27.327 21.703 657 HA PHE 13 HA PHE 13 -4.771 25.727 21.388 658 HB2 PHE 13 HB2 PHE 13 -5.488 28.007 23.279 659 HB3 PHE 13 HB3 PHE 13 -3.870 27.439 22.961 660 HD1 PHE 13 HD2 PHE 13 -4.855 27.173 19.748 661 HD2 PHE 13 HD1 PHE 13 -4.587 30.259 22.750 662 HE1 PHE 13 HE2 PHE 13 -4.626 28.893 17.972 663 HE2 PHE 13 HE1 PHE 13 -4.382 31.975 20.965 664 HZ PHE 13 HZ PHE 13 -4.398 31.290 18.572 665 H THR 14 H THR 14 -3.423 24.933 23.241 666 HA THR 14 HA THR 14 -4.344 22.843 24.588 667 HB THR 14 HB THR 14 -2.022 23.487 24.455 668 HG1 THR 14 HG1 THR 14 -1.425 22.592 26.405 669 HG21 THR 14 HG21 THR 14 -0.916 24.919 26.029 670 HG22 THR 14 HG22 THR 14 -2.415 25.225 26.922 671 HG23 THR 14 HG23 THR 14 -2.202 25.870 25.276 672 H GLU 15 H GLU 15 -4.612 26.067 26.254 673 HA GLU 15 HA GLU 15 -5.969 24.904 28.555 674 HB2 GLU 15 HB2 GLU 15 -5.752 27.783 27.593 675 HB3 GLU 15 HB3 GLU 15 -6.445 27.271 29.138 676 HG2 GLU 15 HG2 GLU 15 -4.254 26.200 29.732 677 HG3 GLU 15 HG3 GLU 15 -3.560 26.863 28.251 678 H GLU 16 H GLU 16 -7.069 26.253 25.546 679 HA GLU 16 HA GLU 16 -9.960 26.080 26.205 680 HB2 GLU 16 HB2 GLU 16 -8.630 27.059 23.653 681 HB3 GLU 16 HB3 GLU 16 -10.312 27.242 24.111 682 HG2 GLU 16 HG2 GLU 16 -7.919 28.614 25.386 683 HG3 GLU 16 HG3 GLU 16 -9.169 29.344 24.391 684 H GLU 17 H GLU 17 -7.705 23.945 25.248 685 HA GLU 17 HA GLU 17 -8.739 22.675 23.000 686 HB2 GLU 17 HB2 GLU 17 -6.467 22.482 23.989 687 HB3 GLU 17 HB3 GLU 17 -7.124 21.421 25.245 688 HG2 GLU 17 HG2 GLU 17 -7.777 19.795 23.402 689 HG3 GLU 17 HG3 GLU 17 -7.006 20.889 22.250 690 H GLN 18 H GLN 18 -9.979 22.409 26.107 691 HA GLN 18 HA GLN 18 -11.052 20.050 26.583 692 HB2 GLN 18 HB2 GLN 18 -12.934 20.719 27.692 693 HB3 GLN 18 HB3 GLN 18 -11.698 21.916 27.966 694 HG2 GLN 18 HG2 GLN 18 -14.075 22.146 26.081 695 HG3 GLN 18 HG3 GLN 18 -13.888 22.853 27.711 696 HE21 GLN 18 HE22 GLN 18 -13.591 23.531 24.431 697 HE22 GLN 18 HE21 GLN 18 -12.286 24.720 24.501 698 H LYS 19 H LYS 19 -12.287 22.002 23.985 699 HA LYS 19 HA LYS 19 -14.345 20.432 22.867 700 HB2 LYS 19 HB2 LYS 19 -13.792 22.606 21.988 701 HB3 LYS 19 HB3 LYS 19 -12.149 22.173 21.825 702 HG2 LYS 19 HG2 LYS 19 -13.590 22.481 19.761 703 HG3 LYS 19 HG3 LYS 19 -12.274 21.292 19.921 704 HD2 LYS 19 HD2 LYS 19 -13.456 19.526 19.686 705 HD3 LYS 19 HD3 LYS 19 -14.881 20.131 20.460 706 HE2 LYS 19 HE2 LYS 19 -15.044 19.527 17.931 707 HE3 LYS 19 HE3 LYS 19 -15.635 21.113 18.357 708 HZ1 LYS 19 HZ1 LYS 19 -13.739 22.132 17.513 709 HZ2 LYS 19 HZ2 LYS 19 -14.149 21.065 16.365 710 HZ3 LYS 19 HZ3 LYS 19 -12.869 20.729 17.332 711 H LEU 20 H LEU 20 -10.925 20.203 22.031 712 HA LEU 20 HA LEU 20 -11.225 17.944 20.241 713 HB2 LEU 20 HB2 LEU 20 -8.738 19.274 21.441 714 HB3 LEU 20 HB3 LEU 20 -8.735 18.200 20.099 715 HG LEU 20 HG LEU 20 -8.418 20.095 19.045 716 HD11 LEU 20 HD11 LEU 20 -10.476 20.692 17.804 717 HD12 LEU 20 HD12 LEU 20 -11.436 19.669 18.891 718 HD13 LEU 20 HD13 LEU 20 -10.167 18.945 17.908 719 HD21 LEU 20 HD21 LEU 20 -10.343 21.481 20.934 720 HD22 LEU 20 HD22 LEU 20 -9.590 22.189 19.494 721 HD23 LEU 20 HD23 LEU 20 -8.587 21.601 20.828 722 H LEU 21 H LEU 21 -10.237 18.538 23.447 723 HA LEU 21 HA LEU 21 -9.235 16.065 24.485 724 HB2 LEU 21 HB2 LEU 21 -8.833 17.998 25.694 725 HB3 LEU 21 HB3 LEU 21 -10.405 18.625 25.390 726 HG LEU 21 HG LEU 21 -10.040 18.406 27.699 727 HD11 LEU 21 HD11 LEU 21 -12.093 16.243 27.252 728 HD12 LEU 21 HD12 LEU 21 -12.415 17.977 27.034 729 HD13 LEU 21 HD13 LEU 21 -11.906 17.387 28.588 730 HD21 LEU 21 HD21 LEU 21 -9.900 15.393 27.313 731 HD22 LEU 21 HD22 LEU 21 -9.723 16.305 28.839 732 HD23 LEU 21 HD23 LEU 21 -8.479 16.453 27.583 733 H LEU 22 H LEU 22 -12.638 17.426 24.272 734 HA LEU 22 HA LEU 22 -13.600 15.070 25.720 735 HB2 LEU 22 HB2 LEU 22 -14.807 17.127 25.917 736 HB3 LEU 22 HB3 LEU 22 -14.974 17.313 24.183 737 HG LEU 22 HG LEU 22 -17.058 16.771 25.366 738 HD11 LEU 22 HD11 LEU 22 -16.632 16.062 22.929 739 HD12 LEU 22 HD12 LEU 22 -18.005 15.350 23.798 740 HD13 LEU 22 HD13 LEU 22 -16.535 14.409 23.560 741 HD21 LEU 22 HD21 LEU 22 -16.265 15.286 27.100 742 HD22 LEU 22 HD22 LEU 22 -15.795 14.059 25.919 743 HD23 LEU 22 HD23 LEU 22 -17.508 14.472 26.149 744 H ASN 23 H ASN 23 -13.573 16.200 22.432 745 HA ASN 23 HA ASN 23 -14.857 14.107 21.068 746 HB2 ASN 23 HB2 ASN 23 -12.852 16.324 20.416 747 HB3 ASN 23 HB3 ASN 23 -13.250 15.207 19.220 748 HD21 ASN 23 HD21 ASN 23 -13.798 17.838 19.031 749 HD22 ASN 23 HD22 ASN 23 -15.538 18.074 19.052 750 H ILE 24 H ILE 24 -11.415 14.298 21.965 751 HA ILE 24 HA ILE 24 -10.891 11.703 20.624 752 HB ILE 24 HB ILE 24 -8.676 11.780 21.478 753 HG12 ILE 24 HG12 ILE 24 -9.588 14.115 23.143 754 HG13 ILE 24 HG13 ILE 24 -8.881 12.616 23.662 755 HG21 ILE 24 HG21 ILE 24 -7.840 13.638 20.187 756 HG22 ILE 24 HG22 ILE 24 -9.238 12.924 19.386 757 HG23 ILE 24 HG23 ILE 24 -9.410 14.454 20.252 758 HD11 ILE 24 HD11 ILE 24 -7.238 14.359 23.898 759 HD12 ILE 24 HD12 ILE 24 -6.711 13.284 22.586 760 HD13 ILE 24 HD13 ILE 24 -7.439 14.870 22.214 761 H LEU 25 H LEU 25 -11.695 12.781 23.913 762 HA LEU 25 HA LEU 25 -10.975 10.311 25.137 763 HB2 LEU 25 HB2 LEU 25 -11.114 12.521 26.232 764 HB3 LEU 25 HB3 LEU 25 -12.872 12.503 26.050 765 HG LEU 25 HG LEU 25 -12.970 10.483 27.542 766 HD11 LEU 25 HD11 LEU 25 -10.919 9.954 28.888 767 HD12 LEU 25 HD12 LEU 25 -9.975 11.015 27.812 768 HD13 LEU 25 HD13 LEU 25 -10.733 9.536 27.182 769 HD21 LEU 25 HD21 LEU 25 -12.436 11.691 29.608 770 HD22 LEU 25 HD22 LEU 25 -13.244 12.752 28.444 771 HD23 LEU 25 HD23 LEU 25 -11.488 12.881 28.689 772 H ILE 26 H ILE 26 -14.002 11.379 23.630 773 HA ILE 26 HA ILE 26 -15.546 9.089 24.574 774 HB ILE 26 HB ILE 26 -17.355 9.910 23.237 775 HG12 ILE 26 HG12 ILE 26 -15.590 12.143 22.173 776 HG13 ILE 26 HG13 ILE 26 -15.911 10.673 21.261 777 HG21 ILE 26 HG21 ILE 26 -15.981 12.172 24.711 778 HG22 ILE 26 HG22 ILE 26 -17.712 12.037 24.358 779 HG23 ILE 26 HG23 ILE 26 -16.939 10.878 25.443 780 HD11 ILE 26 HD11 ILE 26 -18.001 12.682 22.180 781 HD12 ILE 26 HD12 ILE 26 -17.452 12.368 20.526 782 HD13 ILE 26 HD13 ILE 26 -18.364 11.120 21.405 783 H ASN 27 H ASN 27 -16.986 8.188 22.565 784 HA ASN 27 HA ASN 27 -15.819 5.868 21.833 785 HB2 ASN 27 HB2 ASN 27 -17.914 7.305 20.134 786 HB3 ASN 27 HB3 ASN 27 -17.692 5.569 20.303 787 HD21 ASN 27 HD21 ASN 27 -19.237 8.378 21.603 788 HD22 ASN 27 HD22 ASN 27 -19.931 7.598 23.006 789 H HIS 28 H HIS 28 -15.858 8.741 19.688 790 HA HIS 28 HA HIS 28 -13.433 7.896 18.343 791 HB2 HIS 28 HB2 HIS 28 -14.327 7.928 16.074 792 HB3 HIS 28 HB3 HIS 28 -15.101 6.657 17.003 793 HD1 HIS 28 HD1 HIS 28 -15.928 10.222 15.667 794 HD2 HIS 28 HD2 HIS 28 -17.739 6.722 17.166 795 HE1 HIS 28 HE1 HIS 28 -18.435 10.499 15.303 796 H GLU 29 H GLU 29 -12.537 9.566 17.003 797 HA GLU 29 HA GLU 29 -12.775 12.202 17.937 798 HB2 GLU 29 HB2 GLU 29 -11.728 11.331 15.213 799 HB3 GLU 29 HB3 GLU 29 -11.417 12.852 16.042 800 HG2 GLU 29 HG2 GLU 29 -9.510 11.814 16.642 801 HG3 GLU 29 HG3 GLU 29 -10.498 11.245 17.978 802 H TYR 30 H TYR 30 -13.637 14.101 17.125 803 HA TYR 30 HA TYR 30 -15.992 13.827 15.287 804 HB2 TYR 30 HB2 TYR 30 -16.602 13.441 17.668 805 HB3 TYR 30 HB3 TYR 30 -15.916 15.029 18.054 806 HD1 TYR 30 HD2 TYR 30 -18.370 13.559 15.572 807 HD2 TYR 30 HD1 TYR 30 -17.413 16.791 18.264 808 HE1 TYR 30 HE2 TYR 30 -20.478 14.703 14.948 809 HE2 TYR 30 HE1 TYR 30 -19.499 17.941 17.627 810 HH TYR 30 HH TYR 30 -21.845 16.523 15.303 811 H ALA 31 H ALA 31 -13.929 16.301 16.985 812 HA ALA 31 HA ALA 31 -14.297 18.554 15.735 813 HB1 ALA 31 HB1 ALA 31 -12.431 18.073 17.198 814 HB2 ALA 31 HB2 ALA 31 -11.644 17.094 15.929 815 HB3 ALA 31 HB3 ALA 31 -11.834 18.837 15.695 816 H ILE 32 H ILE 32 -12.484 15.887 14.139 817 HA ILE 32 HA ILE 32 -12.129 16.918 11.621 818 HB ILE 32 HB ILE 32 -12.584 14.115 12.660 819 HG12 ILE 32 HG12 ILE 32 -10.189 13.775 12.074 820 HG13 ILE 32 HG13 ILE 32 -10.085 15.458 11.561 821 HG21 ILE 32 HG21 ILE 32 -11.731 13.226 10.523 822 HG22 ILE 32 HG22 ILE 32 -13.276 14.011 10.299 823 HG23 ILE 32 HG23 ILE 32 -11.808 14.898 9.845 824 HD11 ILE 32 HD11 ILE 32 -10.879 14.604 14.379 825 HD12 ILE 32 HD12 ILE 32 -9.195 14.827 13.897 826 HD13 ILE 32 HD13 ILE 32 -10.305 16.212 13.844 827 H GLU 33 H GLU 33 -14.947 15.008 12.724 828 HA GLU 33 HA GLU 33 -16.438 15.105 10.318 829 HB2 GLU 33 HB2 GLU 33 -16.966 13.762 12.411 830 HB3 GLU 33 HB3 GLU 33 -17.739 15.236 13.048 831 HG2 GLU 33 HG2 GLU 33 -19.179 15.328 11.030 832 HG3 GLU 33 HG3 GLU 33 -18.415 13.860 10.415 833 H LEU 34 H LEU 34 -16.137 17.496 12.909 834 HA LEU 34 HA LEU 34 -17.941 19.394 11.751 835 HB2 LEU 34 HB2 LEU 34 -15.512 20.184 13.419 836 HB3 LEU 34 HB3 LEU 34 -16.982 21.076 13.125 837 HG LEU 34 HG LEU 34 -16.487 18.786 15.012 838 HD11 LEU 34 HD11 LEU 34 -17.524 20.299 16.613 839 HD12 LEU 34 HD12 LEU 34 -17.963 21.430 15.316 840 HD13 LEU 34 HD13 LEU 34 -16.260 21.176 15.727 841 HD21 LEU 34 HD21 LEU 34 -18.456 17.946 14.081 842 HD22 LEU 34 HD22 LEU 34 -19.176 19.583 13.877 843 HD23 LEU 34 HD23 LEU 34 -18.979 18.863 15.486 844 H LEU 35 H LEU 35 -14.385 18.903 11.285 845 HA LEU 35 HA LEU 35 -13.913 21.138 9.646 846 HB2 LEU 35 HB2 LEU 35 -12.110 19.671 10.456 847 HB3 LEU 35 HB3 LEU 35 -12.674 18.347 9.488 848 HG LEU 35 HG LEU 35 -12.129 19.406 7.433 849 HD11 LEU 35 HD11 LEU 35 -10.895 21.775 8.849 850 HD12 LEU 35 HD12 LEU 35 -12.481 21.832 8.073 851 HD13 LEU 35 HD13 LEU 35 -11.037 21.473 7.122 852 HD21 LEU 35 HD21 LEU 35 -10.383 18.137 8.588 853 HD22 LEU 35 HD22 LEU 35 -9.845 19.607 9.432 854 HD23 LEU 35 HD23 LEU 35 -9.691 19.480 7.663 855 H SER 36 H SER 36 -14.751 17.771 8.435 856 HA SER 36 HA SER 36 -14.868 18.613 5.725 857 HB2 SER 36 HB2 SER 36 -14.586 16.285 6.552 858 HB3 SER 36 HB3 SER 36 -16.305 16.282 6.986 859 HG SER 36 HG SER 36 -15.121 16.539 4.409 860 H SER 37 H SER 37 -17.412 18.435 8.219 861 HA SER 37 HA SER 37 -19.614 19.018 6.527 862 HB2 SER 37 HB2 SER 37 -19.650 18.185 8.928 863 HB3 SER 37 HB3 SER 37 -19.400 19.870 9.428 864 HG SER 37 HG SER 37 -21.614 19.442 9.324 865 H GLU 38 H GLU 38 -17.422 21.035 8.418 866 HA GLU 38 HA GLU 38 -18.541 23.630 7.928 867 HB2 GLU 38 HB2 GLU 38 -15.856 22.613 8.906 868 HB3 GLU 38 HB3 GLU 38 -15.996 24.280 8.517 869 HG2 GLU 38 HG2 GLU 38 -17.833 22.864 10.495 870 HG3 GLU 38 HG3 GLU 38 -16.376 23.754 10.928 871 H ILE 39 H ILE 39 -15.761 21.992 6.320 872 HA ILE 39 HA ILE 39 -15.189 24.226 4.614 873 HB ILE 39 HB ILE 39 -13.929 22.619 3.240 874 HG12 ILE 39 HG12 ILE 39 -13.555 20.359 4.764 875 HG13 ILE 39 HG13 ILE 39 -15.291 20.605 4.903 876 HG21 ILE 39 HG21 ILE 39 -13.503 22.649 6.249 877 HG22 ILE 39 HG22 ILE 39 -12.247 22.196 5.077 878 HG23 ILE 39 HG23 ILE 39 -12.920 23.832 5.074 879 HD11 ILE 39 HD11 ILE 39 -13.669 20.372 2.330 880 HD12 ILE 39 HD12 ILE 39 -14.731 19.121 3.013 881 HD13 ILE 39 HD13 ILE 39 -15.423 20.624 2.373 882 H ASN 40 H ASN 40 -17.180 21.292 4.112 883 HA ASN 40 HA ASN 40 -17.992 22.289 1.505 884 HB2 ASN 40 HB2 ASN 40 -19.304 20.522 1.205 885 HB3 ASN 40 HB3 ASN 40 -18.142 19.873 2.357 886 HD21 ASN 40 HD21 ASN 40 -18.917 19.219 4.362 887 HD22 ASN 40 HD22 ASN 40 -20.630 19.239 4.767 888 H ASP 41 H ASP 41 -19.199 23.139 4.714 889 HA ASP 41 HA ASP 41 -21.606 24.420 3.720 890 HB2 ASP 41 HB2 ASP 41 -20.907 23.729 6.170 891 HB3 ASP 41 HB3 ASP 41 -20.171 25.325 6.213 892 H ILE 42 H ILE 42 -18.206 25.371 3.869 893 HA ILE 42 HA ILE 42 -18.795 28.129 2.950 894 HB ILE 42 HB ILE 42 -16.189 26.614 3.276 895 HG12 ILE 42 HG12 ILE 42 -15.722 28.578 4.822 896 HG13 ILE 42 HG13 ILE 42 -17.395 29.091 4.618 897 HG21 ILE 42 HG21 ILE 42 -15.893 28.027 1.292 898 HG22 ILE 42 HG22 ILE 42 -16.607 29.418 2.145 899 HG23 ILE 42 HG23 ILE 42 -15.044 28.741 2.654 900 HD11 ILE 42 HD11 ILE 42 -18.157 26.979 5.692 901 HD12 ILE 42 HD12 ILE 42 -16.456 26.437 5.748 902 HD13 ILE 42 HD13 ILE 42 -16.982 27.810 6.721 903 H GLU 43 H GLU 43 -17.503 25.150 1.424 904 HA GLU 43 HA GLU 43 -17.094 26.316 -1.117 905 HB2 GLU 43 HB2 GLU 43 -16.201 24.123 -0.121 906 HB3 GLU 43 HB3 GLU 43 -17.703 23.374 -0.585 907 HG2 GLU 43 HG2 GLU 43 -15.967 22.953 -2.270 908 HG3 GLU 43 HG3 GLU 43 -17.313 23.843 -2.949 909 H THR 44 H THR 44 -19.828 24.389 0.026 910 HA THR 44 HA THR 44 -21.414 25.174 -2.399 911 HB THR 44 HB THR 44 -20.756 22.855 -2.576 912 HG1 THR 44 HG1 THR 44 -22.751 23.385 -3.397 913 HG21 THR 44 HG21 THR 44 -20.477 22.104 -0.330 914 HG22 THR 44 HG22 THR 44 -21.785 21.156 -1.041 915 HG23 THR 44 HG23 THR 44 -22.166 22.474 0.090 916 H GLY 45 H GLY 45 -21.587 24.652 1.171 917 HA2 GLY 45 HA2 GLY 45 -24.319 25.533 1.383 918 HA3 GLY 45 HA3 GLY 45 -23.088 25.653 2.637 919 H THR 46 H THR 46 -21.371 27.343 0.814 920 HA THR 46 HA THR 46 -20.890 29.443 0.345 921 HB THR 46 HB THR 46 -23.746 30.248 -0.160 922 HG1 THR 46 HG1 THR 46 -23.549 29.348 -2.193 923 HG21 THR 46 HG21 THR 46 -21.082 30.809 -1.557 924 HG22 THR 46 HG22 THR 46 -21.921 31.940 -0.478 925 HG23 THR 46 HG23 THR 46 -22.660 31.492 -2.020 926 H LYS 47 H LYS 47 -21.088 28.792 2.996 927 HA LYS 47 HA LYS 47 -21.979 31.114 4.537 928 HB2 LYS 47 HB2 LYS 47 -19.813 29.022 5.051 929 HB3 LYS 47 HB3 LYS 47 -20.274 30.270 6.187 930 HG2 LYS 47 HG2 LYS 47 -21.987 27.970 5.212 931 HG3 LYS 47 HG3 LYS 47 -21.276 28.161 6.806 932 HD2 LYS 47 HD2 LYS 47 -23.533 29.806 5.596 933 HD3 LYS 47 HD3 LYS 47 -23.667 28.575 6.849 934 HE2 LYS 47 HE2 LYS 47 -22.235 29.944 8.364 935 HE3 LYS 47 HE3 LYS 47 -22.159 31.214 7.136 936 HZ1 LYS 47 HZ1 LYS 47 -24.651 30.251 8.441 937 HZ2 LYS 47 HZ2 LYS 47 -24.589 31.425 7.307 938 HZ3 LYS 47 HZ3 LYS 47 -23.903 31.662 8.769 939 H ASN 48 H ASN 48 -20.995 33.049 4.746 940 HA ASN 48 HA ASN 48 -18.224 33.503 4.365 941 HB2 ASN 48 HB2 ASN 48 -18.918 33.413 1.930 942 HB3 ASN 48 HB3 ASN 48 -20.029 34.751 2.225 943 HD21 ASN 48 HD21 ASN 48 -16.556 33.847 2.687 944 HD22 ASN 48 HD22 ASN 48 -15.947 35.454 2.358 945 H VAL 49 H VAL 49 -17.867 34.920 5.970 946 HA VAL 49 HA VAL 49 -19.509 37.358 6.304 947 HB VAL 49 HB VAL 49 -19.684 37.138 8.651 948 HG11 VAL 49 HG11 VAL 49 -20.709 34.523 7.517 949 HG12 VAL 49 HG12 VAL 49 -21.317 35.408 8.928 950 HG13 VAL 49 HG13 VAL 49 -21.493 36.110 7.314 951 HG21 VAL 49 HG21 VAL 49 -17.759 35.944 9.372 952 HG22 VAL 49 HG22 VAL 49 -19.157 35.015 9.889 953 HG23 VAL 49 HG23 VAL 49 -18.233 34.482 8.465 954 H ASP 50 H ASP 50 -18.048 38.164 8.619 955 HA ASP 50 HA ASP 50 -15.459 39.051 7.785 956 HB2 ASP 50 HB2 ASP 50 -17.053 39.800 9.710 957 HB3 ASP 50 HB3 ASP 50 -16.378 38.463 10.622 958 H GLY 51 H GLY 51 -13.420 38.320 9.277 959 HA2 GLY 51 HA2 GLY 51 -12.523 35.838 8.581 960 HA3 GLY 51 HA3 GLY 51 -11.902 36.731 9.961 961 H THR 52 H THR 52 -14.959 36.142 10.981 962 HA THR 52 HA THR 52 -14.522 34.147 12.858 963 HB THR 52 HB THR 52 -17.026 34.762 11.240 964 HG1 THR 52 HG1 THR 52 -17.483 36.064 13.036 965 HG21 THR 52 HG21 THR 52 -17.260 32.605 12.439 966 HG22 THR 52 HG22 THR 52 -18.284 33.866 13.136 967 HG23 THR 52 HG23 THR 52 -16.762 33.410 13.946 968 H THR 53 H THR 53 -16.261 33.391 9.721 969 HA THR 53 HA THR 53 -16.023 30.626 10.146 970 HB THR 53 HB THR 53 -17.740 31.814 8.826 971 HG1 THR 53 HG1 THR 53 -17.956 30.162 7.367 972 HG21 THR 53 HG21 THR 53 -17.451 32.343 6.495 973 HG22 THR 53 HG22 THR 53 -15.754 31.834 6.517 974 HG23 THR 53 HG23 THR 53 -16.265 33.284 7.413 975 H TYR 54 H TYR 54 -13.967 32.795 8.278 976 HA TYR 54 HA TYR 54 -12.164 30.998 7.024 977 HB2 TYR 54 HB2 TYR 54 -11.710 33.691 8.393 978 HB3 TYR 54 HB3 TYR 54 -10.494 32.867 7.459 979 HD1 TYR 54 HD2 TYR 54 -13.827 34.539 7.196 980 HD2 TYR 54 HD1 TYR 54 -10.499 32.809 5.071 981 HE1 TYR 54 HE2 TYR 54 -14.695 35.501 5.071 982 HE2 TYR 54 HE1 TYR 54 -11.371 33.769 2.935 983 HH TYR 54 HH TYR 54 -13.017 35.020 1.939 984 H LYS 55 H LYS 55 -11.880 32.569 10.259 985 HA LYS 55 HA LYS 55 -9.674 31.200 11.099 986 HB2 LYS 55 HB2 LYS 55 -10.512 33.366 11.891 987 HB3 LYS 55 HB3 LYS 55 -11.854 32.596 12.663 988 HG2 LYS 55 HG2 LYS 55 -10.149 32.750 14.424 989 HG3 LYS 55 HG3 LYS 55 -9.876 31.130 13.820 990 HD2 LYS 55 HD2 LYS 55 -8.375 32.470 12.002 991 HD3 LYS 55 HD3 LYS 55 -8.310 33.655 13.295 992 HE2 LYS 55 HE2 LYS 55 -7.546 31.867 14.898 993 HE3 LYS 55 HE3 LYS 55 -7.502 30.721 13.556 994 HZ1 LYS 55 HZ1 LYS 55 -5.871 33.205 13.738 995 HZ2 LYS 55 HZ2 LYS 55 -5.825 32.155 12.486 996 HZ3 LYS 55 HZ3 LYS 55 -5.308 31.693 13.965 997 H LYS 56 H LYS 56 -13.080 30.319 11.806 998 HA LYS 56 HA LYS 56 -12.592 27.896 13.267 999 HB2 LYS 56 HB2 LYS 56 -14.833 28.772 11.466 1000 HB3 LYS 56 HB3 LYS 56 -14.736 27.123 12.096 1001 HG2 LYS 56 HG2 LYS 56 -15.985 28.172 13.713 1002 HG3 LYS 56 HG3 LYS 56 -14.364 28.184 14.416 1003 HD2 LYS 56 HD2 LYS 56 -14.075 30.549 13.793 1004 HD3 LYS 56 HD3 LYS 56 -15.747 30.585 13.163 1005 HE2 LYS 56 HE2 LYS 56 -16.628 29.988 15.350 1006 HE3 LYS 56 HE3 LYS 56 -15.011 29.649 15.961 1007 HZ1 LYS 56 HZ1 LYS 56 -16.014 32.349 15.264 1008 HZ2 LYS 56 HZ2 LYS 56 -14.484 32.020 15.771 1009 HZ3 LYS 56 HZ3 LYS 56 -15.743 31.773 16.765 1010 H LEU 57 H LEU 57 -12.612 28.287 9.695 1011 HA LEU 57 HA LEU 57 -12.125 25.477 9.198 1012 HB2 LEU 57 HB2 LEU 57 -13.403 26.765 7.806 1013 HB3 LEU 57 HB3 LEU 57 -12.179 28.008 7.530 1014 HG LEU 57 HG LEU 57 -11.880 25.147 6.542 1015 HD11 LEU 57 HD11 LEU 57 -13.030 27.608 5.132 1016 HD12 LEU 57 HD12 LEU 57 -13.936 26.154 5.601 1017 HD13 LEU 57 HD13 LEU 57 -12.690 26.055 4.347 1018 HD21 LEU 57 HD21 LEU 57 -10.399 26.244 4.824 1019 HD22 LEU 57 HD22 LEU 57 -9.746 26.376 6.446 1020 HD23 LEU 57 HD23 LEU 57 -10.563 27.771 5.710 1021 H VAL 58 H VAL 58 -9.971 28.326 9.297 1022 HA VAL 58 HA VAL 58 -7.678 26.667 8.599 1023 HB VAL 58 HB VAL 58 -8.049 29.011 7.852 1024 HG11 VAL 58 HG11 VAL 58 -6.885 29.891 10.515 1025 HG12 VAL 58 HG12 VAL 58 -7.538 30.887 9.179 1026 HG13 VAL 58 HG13 VAL 58 -8.611 29.872 10.142 1027 HG21 VAL 58 HG21 VAL 58 -5.881 27.887 7.580 1028 HG22 VAL 58 HG22 VAL 58 -5.702 29.629 7.848 1029 HG23 VAL 58 HG23 VAL 58 -5.373 28.501 9.178 1030 H THR 59 H THR 59 -9.154 27.654 11.604 1031 HA THR 59 HA THR 59 -6.829 27.028 13.264 1032 HB THR 59 HB THR 59 -8.778 28.496 13.939 1033 HG1 THR 59 HG1 THR 59 -8.134 28.264 15.852 1034 HG21 THR 59 HG21 THR 59 -10.658 27.124 13.580 1035 HG22 THR 59 HG22 THR 59 -10.506 27.286 15.328 1036 HG23 THR 59 HG23 THR 59 -10.046 25.781 14.518 1037 H LEU 60 H LEU 60 -9.655 25.253 12.030 1038 HA LEU 60 HA LEU 60 -9.420 22.775 13.274 1039 HB2 LEU 60 HB2 LEU 60 -10.352 23.636 10.638 1040 HB3 LEU 60 HB3 LEU 60 -9.627 22.037 10.595 1041 HG LEU 60 HG LEU 60 -11.975 21.891 10.886 1042 HD11 LEU 60 HD11 LEU 60 -10.833 21.045 13.564 1043 HD12 LEU 60 HD12 LEU 60 -10.556 20.155 12.047 1044 HD13 LEU 60 HD13 LEU 60 -12.201 20.368 12.644 1045 HD21 LEU 60 HD21 LEU 60 -12.545 23.898 11.878 1046 HD22 LEU 60 HD22 LEU 60 -11.610 23.560 13.353 1047 HD23 LEU 60 HD23 LEU 60 -13.087 22.611 12.961 1048 H TYR 61 H TYR 61 -7.577 23.651 10.357 1049 HA TYR 61 HA TYR 61 -5.796 21.359 10.619 1050 HB2 TYR 61 HB2 TYR 61 -4.944 21.805 8.658 1051 HB3 TYR 61 HB3 TYR 61 -6.220 23.027 8.501 1052 HD1 TYR 61 HD2 TYR 61 -2.626 22.343 8.981 1053 HD2 TYR 61 HD1 TYR 61 -5.571 25.461 8.705 1054 HE1 TYR 61 HE2 TYR 61 -0.819 23.997 8.672 1055 HE2 TYR 61 HE1 TYR 61 -3.738 27.139 8.458 1056 HH TYR 61 HH TYR 61 -1.480 27.503 8.365 1057 H ASP 62 H ASP 62 -5.532 24.669 11.652 1058 HA ASP 62 HA ASP 62 -2.803 24.704 12.409 1059 HB2 ASP 62 HB2 ASP 62 -4.284 26.719 12.259 1060 HB3 ASP 62 HB3 ASP 62 -4.976 26.247 13.820 1061 H ARG 63 H ARG 63 -5.490 23.098 14.031 1062 HA ARG 63 HA ARG 63 -3.364 22.033 15.904 1063 HB2 ARG 63 HB2 ARG 63 -6.082 22.931 16.491 1064 HB3 ARG 63 HB3 ARG 63 -5.804 21.329 17.116 1065 HG2 ARG 63 HG2 ARG 63 -4.220 21.913 18.617 1066 HG3 ARG 63 HG3 ARG 63 -3.538 23.197 17.640 1067 HD2 ARG 63 HD2 ARG 63 -6.147 23.281 19.142 1068 HD3 ARG 63 HD3 ARG 63 -4.643 24.043 19.693 1069 HE ARG 63 HE ARG 63 -6.557 25.303 18.133 1070 HH11 ARG 63 HH22 ARG 63 -3.040 25.042 17.807 1071 HH12 ARG 63 HH21 ARG 63 -3.069 26.309 16.584 1072 HH21 ARG 63 HH11 ARG 63 -6.352 26.852 16.507 1073 HH22 ARG 63 HH12 ARG 63 -4.713 27.223 15.967 1074 H PHE 64 H PHE 64 -5.944 20.942 13.765 1075 HA PHE 64 HA PHE 64 -5.666 18.188 14.371 1076 HB2 PHE 64 HB2 PHE 64 -7.555 18.934 13.151 1077 HB3 PHE 64 HB3 PHE 64 -6.539 19.669 11.910 1078 HD1 PHE 64 HD2 PHE 64 -7.582 16.356 13.354 1079 HD2 PHE 64 HD1 PHE 64 -5.756 18.403 10.063 1080 HE1 PHE 64 HE2 PHE 64 -7.528 14.227 12.051 1081 HE2 PHE 64 HE1 PHE 64 -5.659 16.300 8.760 1082 HZ PHE 64 HZ PHE 64 -6.514 14.186 9.783 1083 H ARG 65 H ARG 65 -3.900 20.041 11.778 1084 HA ARG 65 HA ARG 65 -2.489 17.707 10.791 1085 HB2 ARG 65 HB2 ARG 65 -2.357 20.742 10.444 1086 HB3 ARG 65 HB3 ARG 65 -1.248 19.744 9.634 1087 HG2 ARG 65 HG2 ARG 65 -4.215 19.623 9.287 1088 HG3 ARG 65 HG3 ARG 65 -3.099 20.366 8.148 1089 HD2 ARG 65 HD2 ARG 65 -2.991 17.447 8.873 1090 HD3 ARG 65 HD3 ARG 65 -3.915 18.046 7.507 1091 HE ARG 65 HE ARG 65 -1.705 19.006 6.662 1092 HH11 ARG 65 HH11 ARG 65 -1.794 15.902 8.377 1093 HH12 ARG 65 HH12 ARG 65 -0.273 15.439 7.667 1094 HH21 ARG 65 HH21 ARG 65 -0.111 18.110 5.542 1095 HH22 ARG 65 HH22 ARG 65 0.663 16.650 6.097 1096 H PHE 66 H PHE 66 -1.818 20.232 12.912 1097 HA PHE 66 HA PHE 66 1.003 19.514 13.411 1098 HB2 PHE 66 HB2 PHE 66 -0.769 21.720 14.493 1099 HB3 PHE 66 HB3 PHE 66 0.888 21.486 15.002 1100 HD1 PHE 66 HD2 PHE 66 2.667 21.245 12.972 1101 HD2 PHE 66 HD1 PHE 66 -1.131 23.269 12.766 1102 HE1 PHE 66 HE2 PHE 66 3.504 22.628 11.086 1103 HE2 PHE 66 HE1 PHE 66 -0.274 24.694 10.927 1104 HZ PHE 66 HZ PHE 66 2.036 24.360 10.063 1105 H GLU 67 H GLU 67 -1.795 19.783 15.656 1106 HA GLU 67 HA GLU 67 -0.050 18.859 17.861 1107 HB2 GLU 67 HB2 GLU 67 -2.665 20.408 17.737 1108 HB3 GLU 67 HB3 GLU 67 -1.944 19.902 19.232 1109 HG2 GLU 67 HG2 GLU 67 -0.697 21.781 17.172 1110 HG3 GLU 67 HG3 GLU 67 -1.445 22.262 18.686 1111 H ASN 68 H ASN 68 -3.227 18.146 16.578 1112 HA ASN 68 HA ASN 68 -4.006 16.448 18.806 1113 HB2 ASN 68 HB2 ASN 68 -5.376 16.721 16.104 1114 HB3 ASN 68 HB3 ASN 68 -6.078 16.053 17.572 1115 HD21 ASN 68 HD21 ASN 68 -5.275 18.035 19.475 1116 HD22 ASN 68 HD22 ASN 68 -5.972 19.568 19.001 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 3.410 -4.883 0.213 2 H2 GLY 1 H2 GLY 1 2.730 -4.658 -1.261 3 H3 GLY 1 H3 GLY 1 2.711 -6.142 -0.567 4 HA2 GLY 1 HA2 GLY 1 1.269 -5.378 1.197 5 HA3 GLY 1 HA3 GLY 1 1.307 -3.762 0.469 6 H SER 2 H SER 2 -0.892 -5.857 0.951 7 HA SER 2 HA SER 2 -1.753 -6.826 -1.610 8 HB2 SER 2 HB2 SER 2 -3.363 -6.483 0.944 9 HB3 SER 2 HB3 SER 2 -3.744 -7.559 -0.410 10 HG SER 2 HG SER 2 -1.869 -8.751 0.056 11 H HIS 3 H HIS 3 -2.164 -3.708 -0.200 12 HA HIS 3 HA HIS 3 -4.304 -2.983 -2.149 13 HB2 HIS 3 HB2 HIS 3 -4.103 -2.240 0.785 14 HB3 HIS 3 HB3 HIS 3 -5.247 -1.483 -0.319 15 HD1 HIS 3 HD1 HIS 3 -6.802 -3.699 -1.645 16 HD2 HIS 3 HD2 HIS 3 -4.941 -4.286 2.080 17 HE1 HIS 3 HE1 HIS 3 -7.903 -5.748 -0.614 18 H MET 4 H MET 4 -4.283 -0.879 -2.929 19 HA MET 4 HA MET 4 -1.660 0.565 -2.794 20 HB2 MET 4 HB2 MET 4 -3.326 -0.118 -5.255 21 HB3 MET 4 HB3 MET 4 -1.881 0.901 -5.243 22 HG2 MET 4 HG2 MET 4 -0.540 -1.008 -4.399 23 HG3 MET 4 HG3 MET 4 -1.974 -2.040 -4.480 24 HE1 MET 4 HE1 MET 4 0.208 -3.461 -7.378 25 HE2 MET 4 HE2 MET 4 0.770 -2.834 -5.813 26 HE3 MET 4 HE3 MET 4 -0.703 -3.828 -5.897 27 H ARG 5 H ARG 5 -1.843 2.819 -3.803 28 HA ARG 5 HA ARG 5 -4.453 4.085 -3.102 29 HB2 ARG 5 HB2 ARG 5 -2.101 4.157 -1.566 30 HB3 ARG 5 HB3 ARG 5 -2.055 5.670 -2.415 31 HG2 ARG 5 HG2 ARG 5 -4.371 6.184 -1.644 32 HG3 ARG 5 HG3 ARG 5 -4.489 4.700 -0.855 33 HD2 ARG 5 HD2 ARG 5 -3.938 6.766 0.576 34 HD3 ARG 5 HD3 ARG 5 -3.409 5.136 0.953 35 HE ARG 5 HE ARG 5 -1.481 6.785 -0.571 36 HH11 ARG 5 HH11 ARG 5 -2.501 5.838 2.653 37 HH12 ARG 5 HH12 ARG 5 -0.893 6.018 3.304 38 HH21 ARG 5 HH21 ARG 5 0.538 7.033 0.352 39 HH22 ARG 5 HH22 ARG 5 0.761 6.713 2.044 40 H MET 6 H MET 6 -5.023 5.940 -4.085 41 HA MET 6 HA MET 6 -3.312 6.933 -6.285 42 HB2 MET 6 HB2 MET 6 -6.334 6.834 -6.171 43 HB3 MET 6 HB3 MET 6 -5.380 7.372 -7.559 44 HG2 MET 6 HG2 MET 6 -5.385 4.554 -6.422 45 HG3 MET 6 HG3 MET 6 -6.285 5.089 -7.841 46 HE1 MET 6 HE1 MET 6 -3.531 2.687 -9.286 47 HE2 MET 6 HE2 MET 6 -4.307 2.554 -7.693 48 HE3 MET 6 HE3 MET 6 -5.273 2.997 -9.121 49 H SER 7 H SER 7 -3.724 7.901 -3.473 50 HA SER 7 HA SER 7 -4.192 9.610 -2.223 51 HB2 SER 7 HB2 SER 7 -2.714 11.057 -4.443 52 HB3 SER 7 HB3 SER 7 -2.985 11.720 -2.815 53 HG SER 7 HG SER 7 -0.963 10.605 -3.009 54 H LEU 8 H LEU 8 -4.830 11.782 -5.130 55 HA LEU 8 HA LEU 8 -7.648 11.624 -4.400 56 HB2 LEU 8 HB2 LEU 8 -7.850 14.097 -4.701 57 HB3 LEU 8 HB3 LEU 8 -7.525 13.430 -3.160 58 HG LEU 8 HG LEU 8 -6.423 15.657 -4.074 59 HD11 LEU 8 HD11 LEU 8 -5.039 13.684 -2.262 60 HD12 LEU 8 HD12 LEU 8 -6.277 14.914 -1.853 61 HD13 LEU 8 HD13 LEU 8 -4.674 15.425 -2.386 62 HD21 LEU 8 HD21 LEU 8 -4.152 15.540 -4.744 63 HD22 LEU 8 HD22 LEU 8 -5.121 14.679 -5.936 64 HD23 LEU 8 HD23 LEU 8 -4.148 13.775 -4.745 65 H ILE 9 H ILE 9 -8.592 10.894 -6.036 66 HA ILE 9 HA ILE 9 -7.747 11.417 -8.764 67 HB ILE 9 HB ILE 9 -10.207 9.881 -7.922 68 HG12 ILE 9 HG12 ILE 9 -7.378 8.778 -7.684 69 HG13 ILE 9 HG13 ILE 9 -8.445 9.086 -6.353 70 HG21 ILE 9 HG21 ILE 9 -9.696 8.531 -9.896 71 HG22 ILE 9 HG22 ILE 9 -9.668 10.225 -10.354 72 HG23 ILE 9 HG23 ILE 9 -8.138 9.360 -10.105 73 HD11 ILE 9 HD11 ILE 9 -8.589 6.785 -6.711 74 HD12 ILE 9 HD12 ILE 9 -10.097 7.490 -7.309 75 HD13 ILE 9 HD13 ILE 9 -8.835 6.964 -8.459 76 H GLY 10 H GLY 10 -10.387 12.385 -6.663 77 HA2 GLY 10 HA2 GLY 10 -11.708 14.373 -7.061 78 HA3 GLY 10 HA3 GLY 10 -11.586 14.130 -8.790 79 H GLU 11 H GLU 11 -12.313 11.092 -7.582 80 HA GLU 11 HA GLU 11 -15.100 11.647 -6.784 81 HB2 GLU 11 HB2 GLU 11 -14.648 9.337 -8.712 82 HB3 GLU 11 HB3 GLU 11 -16.137 9.906 -7.996 83 HG2 GLU 11 HG2 GLU 11 -15.966 12.048 -9.248 84 HG3 GLU 11 HG3 GLU 11 -14.496 11.462 -10.035 85 H ARG 12 H ARG 12 -12.743 9.018 -7.367 86 HA ARG 12 HA ARG 12 -12.037 7.258 -6.132 87 HB2 ARG 12 HB2 ARG 12 -12.503 8.656 -3.534 88 HB3 ARG 12 HB3 ARG 12 -11.334 7.465 -4.052 89 HG2 ARG 12 HG2 ARG 12 -9.889 9.118 -4.098 90 HG3 ARG 12 HG3 ARG 12 -10.535 9.406 -5.699 91 HD2 ARG 12 HD2 ARG 12 -10.481 11.534 -4.462 92 HD3 ARG 12 HD3 ARG 12 -12.158 11.077 -4.730 93 HE ARG 12 HE ARG 12 -10.643 10.889 -2.154 94 HH11 ARG 12 HH11 ARG 12 -13.867 10.980 -3.660 95 HH12 ARG 12 HH12 ARG 12 -14.537 11.625 -2.205 96 HH21 ARG 12 HH21 ARG 12 -11.783 11.229 -0.253 97 HH22 ARG 12 HH22 ARG 12 -13.500 11.460 -0.331 98 H PHE 13 H PHE 13 -14.616 7.098 -6.947 99 HA PHE 13 HA PHE 13 -16.427 6.391 -4.807 100 HB2 PHE 13 HB2 PHE 13 -16.582 6.997 -7.620 101 HB3 PHE 13 HB3 PHE 13 -17.248 5.415 -7.404 102 HD1 PHE 13 HD1 PHE 13 -17.183 8.667 -5.495 103 HD2 PHE 13 HD2 PHE 13 -19.609 5.461 -7.067 104 HE1 PHE 13 HE1 PHE 13 -19.225 9.738 -4.536 105 HE2 PHE 13 HE2 PHE 13 -21.646 6.535 -6.109 106 HZ PHE 13 HZ PHE 13 -21.449 8.665 -4.836 107 H THR 14 H THR 14 -17.526 4.194 -4.856 108 HA THR 14 HA THR 14 -16.196 2.286 -3.678 109 HB THR 14 HB THR 14 -18.532 2.178 -4.068 110 HG1 THR 14 HG1 THR 14 -18.734 -0.033 -4.351 111 HG21 THR 14 HG21 THR 14 -18.577 2.777 -6.526 112 HG22 THR 14 HG22 THR 14 -19.613 1.421 -6.065 113 HG23 THR 14 HG23 THR 14 -18.072 1.108 -6.877 114 H GLU 15 H GLU 15 -16.115 2.068 -7.313 115 HA GLU 15 HA GLU 15 -14.263 -0.176 -7.283 116 HB2 GLU 15 HB2 GLU 15 -15.213 1.779 -9.415 117 HB3 GLU 15 HB3 GLU 15 -14.085 0.468 -9.770 118 HG2 GLU 15 HG2 GLU 15 -16.890 0.070 -8.641 119 HG3 GLU 15 HG3 GLU 15 -16.460 -0.040 -10.340 120 H GLU 16 H GLU 16 -13.830 3.252 -7.333 121 HA GLU 16 HA GLU 16 -10.880 3.173 -7.699 122 HB2 GLU 16 HB2 GLU 16 -12.774 5.530 -7.464 123 HB3 GLU 16 HB3 GLU 16 -11.056 5.583 -7.874 124 HG2 GLU 16 HG2 GLU 16 -11.514 4.379 -9.968 125 HG3 GLU 16 HG3 GLU 16 -13.253 4.440 -9.610 126 H GLU 17 H GLU 17 -12.880 2.685 -5.151 127 HA GLU 17 HA GLU 17 -12.036 4.663 -3.302 128 HB2 GLU 17 HB2 GLU 17 -14.161 3.323 -3.263 129 HB3 GLU 17 HB3 GLU 17 -13.237 1.970 -2.586 130 HG2 GLU 17 HG2 GLU 17 -12.655 3.358 -0.617 131 HG3 GLU 17 HG3 GLU 17 -13.387 4.762 -1.389 132 H GLN 18 H GLN 18 -10.439 1.903 -4.173 133 HA GLN 18 HA GLN 18 -8.903 0.907 -2.301 134 HB2 GLN 18 HB2 GLN 18 -7.040 0.460 -3.621 135 HB3 GLN 18 HB3 GLN 18 -8.379 0.486 -4.748 136 HG2 GLN 18 HG2 GLN 18 -6.315 2.687 -4.371 137 HG3 GLN 18 HG3 GLN 18 -6.398 1.459 -5.653 138 HE21 GLN 18 HE22 GLN 18 -7.279 4.622 -4.868 139 HE22 GLN 18 HE21 GLN 18 -8.704 4.769 -5.906 140 H LYS 19 H LYS 19 -8.429 4.191 -3.265 141 HA LYS 19 HA LYS 19 -6.287 5.022 -1.618 142 HB2 LYS 19 HB2 LYS 19 -7.218 6.462 -3.300 143 HB3 LYS 19 HB3 LYS 19 -8.803 6.228 -2.703 144 HG2 LYS 19 HG2 LYS 19 -7.629 8.470 -2.413 145 HG3 LYS 19 HG3 LYS 19 -8.772 7.756 -1.243 146 HD2 LYS 19 HD2 LYS 19 -7.394 7.535 0.390 147 HD3 LYS 19 HD3 LYS 19 -5.992 7.210 -0.570 148 HE2 LYS 19 HE2 LYS 19 -5.942 9.352 0.858 149 HE3 LYS 19 HE3 LYS 19 -5.567 9.587 -0.834 150 HZ1 LYS 19 HZ1 LYS 19 -7.652 10.500 -1.245 151 HZ2 LYS 19 HZ2 LYS 19 -7.172 11.241 0.105 152 HZ3 LYS 19 HZ3 LYS 19 -8.316 10.064 0.211 153 H LEU 20 H LEU 20 -9.714 5.169 -0.851 154 HA LEU 20 HA LEU 20 -9.329 6.120 1.854 155 HB2 LEU 20 HB2 LEU 20 -11.826 5.147 0.380 156 HB3 LEU 20 HB3 LEU 20 -11.832 6.012 1.868 157 HG LEU 20 HG LEU 20 -12.466 7.617 0.477 158 HD11 LEU 20 HD11 LEU 20 -10.722 8.512 1.832 159 HD12 LEU 20 HD12 LEU 20 -10.606 9.236 0.212 160 HD13 LEU 20 HD13 LEU 20 -9.453 7.994 0.732 161 HD21 LEU 20 HD21 LEU 20 -12.375 6.648 -1.585 162 HD22 LEU 20 HD22 LEU 20 -10.641 6.403 -1.600 163 HD23 LEU 20 HD23 LEU 20 -11.290 8.045 -1.731 164 H LEU 21 H LEU 21 -10.071 3.151 0.240 165 HA LEU 21 HA LEU 21 -10.534 1.378 2.473 166 HB2 LEU 21 HB2 LEU 21 -10.967 0.025 0.740 167 HB3 LEU 21 HB3 LEU 21 -10.149 1.074 -0.394 168 HG LEU 21 HG LEU 21 -7.990 0.008 0.098 169 HD11 LEU 21 HD11 LEU 21 -8.119 -1.051 2.332 170 HD12 LEU 21 HD12 LEU 21 -8.136 -2.370 1.216 171 HD13 LEU 21 HD13 LEU 21 -9.663 -1.817 1.922 172 HD21 LEU 21 HD21 LEU 21 -8.107 -1.817 -1.031 173 HD22 LEU 21 HD22 LEU 21 -9.502 -0.920 -1.678 174 HD23 LEU 21 HD23 LEU 21 -9.782 -2.261 -0.555 175 H LEU 22 H LEU 22 -7.434 2.479 0.755 176 HA LEU 22 HA LEU 22 -6.119 0.362 2.130 177 HB2 LEU 22 HB2 LEU 22 -5.012 1.128 0.192 178 HB3 LEU 22 HB3 LEU 22 -5.059 2.820 0.696 179 HG LEU 22 HG LEU 22 -3.375 2.368 2.458 180 HD11 LEU 22 HD11 LEU 22 -3.881 -0.101 2.806 181 HD12 LEU 22 HD12 LEU 22 -2.170 0.295 2.613 182 HD13 LEU 22 HD13 LEU 22 -3.059 -0.398 1.253 183 HD21 LEU 22 HD21 LEU 22 -2.549 1.415 -0.303 184 HD22 LEU 22 HD22 LEU 22 -1.450 1.964 0.984 185 HD23 LEU 22 HD23 LEU 22 -2.612 3.092 0.283 186 H ASN 23 H ASN 23 -6.495 3.768 2.501 187 HA ASN 23 HA ASN 23 -5.107 4.544 4.813 188 HB2 ASN 23 HB2 ASN 23 -7.463 5.527 3.152 189 HB3 ASN 23 HB3 ASN 23 -7.028 6.377 4.544 190 HD21 ASN 23 HD21 ASN 23 -6.861 7.537 2.164 191 HD22 ASN 23 HD22 ASN 23 -5.180 7.800 1.723 192 H ILE 24 H ILE 24 -8.424 3.129 4.700 193 HA ILE 24 HA ILE 24 -8.590 3.525 7.642 194 HB ILE 24 HB ILE 24 -10.631 2.372 7.661 195 HG12 ILE 24 HG12 ILE 24 -10.213 1.746 4.742 196 HG13 ILE 24 HG13 ILE 24 -10.250 0.608 6.059 197 HG21 ILE 24 HG21 ILE 24 -10.654 4.390 5.398 198 HG22 ILE 24 HG22 ILE 24 -11.999 3.969 6.473 199 HG23 ILE 24 HG23 ILE 24 -10.570 4.773 7.121 200 HD11 ILE 24 HD11 ILE 24 -12.348 0.486 4.892 201 HD12 ILE 24 HD12 ILE 24 -12.653 1.216 6.482 202 HD13 ILE 24 HD13 ILE 24 -12.602 2.233 5.017 203 H LEU 25 H LEU 25 -7.516 1.045 5.433 204 HA LEU 25 HA LEU 25 -7.769 -1.116 7.290 205 HB2 LEU 25 HB2 LEU 25 -8.034 -1.370 4.941 206 HB3 LEU 25 HB3 LEU 25 -6.414 -0.800 4.587 207 HG LEU 25 HG LEU 25 -6.718 -3.259 6.326 208 HD11 LEU 25 HD11 LEU 25 -6.769 -4.649 4.270 209 HD12 LEU 25 HD12 LEU 25 -6.972 -3.171 3.300 210 HD13 LEU 25 HD13 LEU 25 -8.232 -3.668 4.448 211 HD21 LEU 25 HD21 LEU 25 -4.726 -2.465 4.136 212 HD22 LEU 25 HD22 LEU 25 -4.652 -3.937 5.129 213 HD23 LEU 25 HD23 LEU 25 -4.418 -2.360 5.878 214 H ILE 26 H ILE 26 -5.095 0.992 6.352 215 HA ILE 26 HA ILE 26 -2.897 -0.325 7.467 216 HB ILE 26 HB ILE 26 -1.935 2.039 7.699 217 HG12 ILE 26 HG12 ILE 26 -4.420 2.902 6.185 218 HG13 ILE 26 HG13 ILE 26 -4.278 3.208 7.893 219 HG21 ILE 26 HG21 ILE 26 -3.097 1.057 5.055 220 HG22 ILE 26 HG22 ILE 26 -1.763 2.224 5.216 221 HG23 ILE 26 HG23 ILE 26 -1.562 0.567 5.793 222 HD11 ILE 26 HD11 ILE 26 -3.648 5.179 6.781 223 HD12 ILE 26 HD12 ILE 26 -2.161 4.481 7.443 224 HD13 ILE 26 HD13 ILE 26 -2.517 4.336 5.702 225 H ASN 27 H ASN 27 -4.783 2.189 9.104 226 HA ASN 27 HA ASN 27 -4.398 0.954 11.737 227 HB2 ASN 27 HB2 ASN 27 -3.570 3.199 12.679 228 HB3 ASN 27 HB3 ASN 27 -2.421 2.177 11.838 229 HD21 ASN 27 HD21 ASN 27 -1.248 3.061 10.127 230 HD22 ASN 27 HD22 ASN 27 -1.595 4.664 9.497 231 H HIS 28 H HIS 28 -5.448 4.202 10.505 232 HA HIS 28 HA HIS 28 -8.201 3.348 10.663 233 HB2 HIS 28 HB2 HIS 28 -7.698 3.957 13.072 234 HB3 HIS 28 HB3 HIS 28 -7.258 5.576 12.544 235 HD1 HIS 28 HD1 HIS 28 -9.225 7.154 13.264 236 HD2 HIS 28 HD2 HIS 28 -10.440 3.359 11.862 237 HE1 HIS 28 HE1 HIS 28 -11.767 7.150 13.300 238 H GLU 29 H GLU 29 -6.000 6.151 10.089 239 HA GLU 29 HA GLU 29 -7.844 7.135 8.001 240 HB2 GLU 29 HB2 GLU 29 -8.745 8.012 10.144 241 HB3 GLU 29 HB3 GLU 29 -7.178 8.719 10.523 242 HG2 GLU 29 HG2 GLU 29 -8.812 10.380 9.712 243 HG3 GLU 29 HG3 GLU 29 -7.375 10.300 8.704 244 H TYR 30 H TYR 30 -6.967 8.656 6.594 245 HA TYR 30 HA TYR 30 -4.426 9.899 6.965 246 HB2 TYR 30 HB2 TYR 30 -3.594 7.603 6.436 247 HB3 TYR 30 HB3 TYR 30 -4.491 7.670 4.920 248 HD1 TYR 30 HD1 TYR 30 -1.988 9.733 6.862 249 HD2 TYR 30 HD2 TYR 30 -3.295 8.314 3.008 250 HE1 TYR 30 HE1 TYR 30 -0.081 10.901 5.782 251 HE2 TYR 30 HE2 TYR 30 -1.377 9.432 1.933 252 HH TYR 30 HH TYR 30 1.045 11.309 3.820 253 H ALA 31 H ALA 31 -6.804 8.869 4.406 254 HA ALA 31 HA ALA 31 -6.690 10.775 2.551 255 HB1 ALA 31 HB1 ALA 31 -9.158 10.602 2.460 256 HB2 ALA 31 HB2 ALA 31 -8.386 9.007 2.712 257 HB3 ALA 31 HB3 ALA 31 -9.168 9.865 4.062 258 H ILE 32 H ILE 32 -8.224 11.262 5.774 259 HA ILE 32 HA ILE 32 -8.777 13.990 5.377 260 HB ILE 32 HB ILE 32 -8.537 12.155 7.734 261 HG12 ILE 32 HG12 ILE 32 -10.525 11.905 6.370 262 HG13 ILE 32 HG13 ILE 32 -10.953 12.563 7.939 263 HG21 ILE 32 HG21 ILE 32 -9.283 13.730 9.288 264 HG22 ILE 32 HG22 ILE 32 -7.760 14.250 8.656 265 HG23 ILE 32 HG23 ILE 32 -9.222 15.070 8.088 266 HD11 ILE 32 HD11 ILE 32 -12.261 13.736 6.294 267 HD12 ILE 32 HD12 ILE 32 -11.045 14.875 6.847 268 HD13 ILE 32 HD13 ILE 32 -10.865 14.033 5.283 269 H GLU 33 H GLU 33 -5.821 12.575 6.711 270 HA GLU 33 HA GLU 33 -4.425 14.971 7.394 271 HB2 GLU 33 HB2 GLU 33 -3.643 12.523 7.599 272 HB3 GLU 33 HB3 GLU 33 -3.161 12.673 5.907 273 HG2 GLU 33 HG2 GLU 33 -1.214 13.080 7.138 274 HG3 GLU 33 HG3 GLU 33 -1.734 14.648 6.536 275 H LEU 34 H LEU 34 -4.946 13.354 4.278 276 HA LEU 34 HA LEU 34 -3.617 15.320 2.682 277 HB2 LEU 34 HB2 LEU 34 -5.902 13.578 1.666 278 HB3 LEU 34 HB3 LEU 34 -4.641 14.371 0.763 279 HG LEU 34 HG LEU 34 -4.644 11.781 2.244 280 HD11 LEU 34 HD11 LEU 34 -4.913 12.011 -0.242 281 HD12 LEU 34 HD12 LEU 34 -3.526 11.008 0.242 282 HD13 LEU 34 HD13 LEU 34 -3.271 12.675 -0.313 283 HD21 LEU 34 HD21 LEU 34 -2.092 11.756 1.949 284 HD22 LEU 34 HD22 LEU 34 -2.789 12.487 3.390 285 HD23 LEU 34 HD23 LEU 34 -2.191 13.520 2.042 286 H LEU 35 H LEU 35 -7.110 14.979 3.579 287 HA LEU 35 HA LEU 35 -8.125 17.129 2.065 288 HB2 LEU 35 HB2 LEU 35 -9.420 15.429 3.443 289 HB3 LEU 35 HB3 LEU 35 -9.001 16.304 4.892 290 HG LEU 35 HG LEU 35 -10.648 17.477 2.602 291 HD11 LEU 35 HD11 LEU 35 -12.570 17.198 4.013 292 HD12 LEU 35 HD12 LEU 35 -11.580 16.592 5.355 293 HD13 LEU 35 HD13 LEU 35 -11.792 15.616 3.884 294 HD21 LEU 35 HD21 LEU 35 -11.323 19.087 4.497 295 HD22 LEU 35 HD22 LEU 35 -9.786 19.332 3.717 296 HD23 LEU 35 HD23 LEU 35 -9.839 18.532 5.302 297 H SER 36 H SER 36 -6.960 17.291 5.533 298 HA SER 36 HA SER 36 -7.427 20.092 5.724 299 HB2 SER 36 HB2 SER 36 -7.237 18.488 7.613 300 HB3 SER 36 HB3 SER 36 -5.494 18.400 7.311 301 HG SER 36 HG SER 36 -6.999 20.732 7.987 302 H SER 37 H SER 37 -4.496 18.234 4.820 303 HA SER 37 HA SER 37 -2.767 20.483 4.723 304 HB2 SER 37 HB2 SER 37 -2.244 17.910 4.543 305 HB3 SER 37 HB3 SER 37 -2.406 18.186 2.799 306 HG SER 37 HG SER 37 -0.296 18.622 3.287 307 H GLU 38 H GLU 38 -4.888 18.951 2.343 308 HA GLU 38 HA GLU 38 -4.189 20.468 0.002 309 HB2 GLU 38 HB2 GLU 38 -6.499 18.678 0.808 310 HB3 GLU 38 HB3 GLU 38 -6.650 19.588 -0.640 311 HG2 GLU 38 HG2 GLU 38 -4.304 17.720 -0.085 312 HG3 GLU 38 HG3 GLU 38 -5.778 17.248 -0.924 313 H ILE 39 H ILE 39 -6.967 20.844 2.278 314 HA ILE 39 HA ILE 39 -8.094 23.045 0.845 315 HB ILE 39 HB ILE 39 -9.303 23.571 2.920 316 HG12 ILE 39 HG12 ILE 39 -9.131 21.357 4.549 317 HG13 ILE 39 HG13 ILE 39 -7.446 21.640 4.140 318 HG21 ILE 39 HG21 ILE 39 -9.316 20.688 1.962 319 HG22 ILE 39 HG22 ILE 39 -10.667 21.487 2.811 320 HG23 ILE 39 HG23 ILE 39 -10.165 22.055 1.211 321 HD11 ILE 39 HD11 ILE 39 -7.750 24.029 4.978 322 HD12 ILE 39 HD12 ILE 39 -9.420 23.605 5.395 323 HD13 ILE 39 HD13 ILE 39 -8.069 22.799 6.216 324 H ASN 40 H ASN 40 -5.827 22.929 3.631 325 HA ASN 40 HA ASN 40 -5.623 25.826 3.580 326 HB2 ASN 40 HB2 ASN 40 -4.241 25.783 5.314 327 HB3 ASN 40 HB3 ASN 40 -5.063 24.247 5.547 328 HD21 ASN 40 HD21 ASN 40 -3.832 22.362 5.379 329 HD22 ASN 40 HD22 ASN 40 -2.082 22.398 5.176 330 H ASP 41 H ASP 41 -3.974 23.449 1.610 331 HA ASP 41 HA ASP 41 -1.851 25.222 0.687 332 HB2 ASP 41 HB2 ASP 41 -2.104 22.619 0.465 333 HB3 ASP 41 HB3 ASP 41 -3.041 22.994 -0.973 334 H ILE 42 H ILE 42 -5.242 24.704 -0.207 335 HA ILE 42 HA ILE 42 -5.065 26.613 -2.470 336 HB ILE 42 HB ILE 42 -7.361 25.066 -1.246 337 HG12 ILE 42 HG12 ILE 42 -7.524 24.267 -3.656 338 HG13 ILE 42 HG13 ILE 42 -6.051 25.159 -4.014 339 HG21 ILE 42 HG21 ILE 42 -8.825 26.045 -3.009 340 HG22 ILE 42 HG22 ILE 42 -8.334 27.243 -1.821 341 HG23 ILE 42 HG23 ILE 42 -7.543 27.206 -3.415 342 HD11 ILE 42 HD11 ILE 42 -5.547 22.788 -3.661 343 HD12 ILE 42 HD12 ILE 42 -4.842 23.680 -2.337 344 HD13 ILE 42 HD13 ILE 42 -6.386 22.826 -2.104 345 H GLU 43 H GLU 43 -6.427 26.674 0.806 346 HA GLU 43 HA GLU 43 -7.502 29.285 0.685 347 HB2 GLU 43 HB2 GLU 43 -7.866 27.426 2.417 348 HB3 GLU 43 HB3 GLU 43 -6.404 27.961 3.202 349 HG2 GLU 43 HG2 GLU 43 -8.359 28.928 4.299 350 HG3 GLU 43 HG3 GLU 43 -7.352 30.184 3.608 351 H THR 44 H THR 44 -4.365 28.274 1.991 352 HA THR 44 HA THR 44 -3.443 31.136 2.002 353 HB THR 44 HB THR 44 -3.932 30.456 4.252 354 HG1 THR 44 HG1 THR 44 -1.964 31.021 5.116 355 HG21 THR 44 HG21 THR 44 -1.895 28.234 3.835 356 HG22 THR 44 HG22 THR 44 -3.611 28.077 4.278 357 HG23 THR 44 HG23 THR 44 -2.475 28.790 5.422 358 H GLY 45 H GLY 45 -2.393 27.736 1.423 359 HA2 GLY 45 HA2 GLY 45 0.255 28.398 0.583 360 HA3 GLY 45 HA3 GLY 45 -0.676 26.995 0.066 361 H THR 46 H THR 46 -2.716 29.108 -0.992 362 HA THR 46 HA THR 46 -3.317 30.105 -2.860 363 HB THR 46 HB THR 46 -1.952 31.849 -1.882 364 HG1 THR 46 HG1 THR 46 -2.096 33.142 -3.677 365 HG21 THR 46 HG21 THR 46 0.164 31.106 -3.935 366 HG22 THR 46 HG22 THR 46 0.338 31.193 -2.169 367 HG23 THR 46 HG23 THR 46 0.060 32.666 -3.094 368 H LYS 47 H LYS 47 -2.648 27.532 -3.214 369 HA LYS 47 HA LYS 47 -1.590 27.019 -5.873 370 HB2 LYS 47 HB2 LYS 47 -3.745 25.544 -4.299 371 HB3 LYS 47 HB3 LYS 47 -2.910 24.933 -5.715 372 HG2 LYS 47 HG2 LYS 47 -1.623 25.538 -3.029 373 HG3 LYS 47 HG3 LYS 47 -2.113 23.956 -3.591 374 HD2 LYS 47 HD2 LYS 47 -0.071 25.637 -5.084 375 HD3 LYS 47 HD3 LYS 47 0.397 24.675 -3.706 376 HE2 LYS 47 HE2 LYS 47 -1.183 23.370 -5.930 377 HE3 LYS 47 HE3 LYS 47 0.553 23.637 -6.137 378 HZ1 LYS 47 HZ1 LYS 47 1.037 22.267 -4.314 379 HZ2 LYS 47 HZ2 LYS 47 -0.156 21.437 -5.061 380 HZ3 LYS 47 HZ3 LYS 47 -0.452 22.310 -3.686 381 H ASN 48 H ASN 48 -2.725 26.863 -7.878 382 HA ASN 48 HA ASN 48 -5.435 27.992 -8.058 383 HB2 ASN 48 HB2 ASN 48 -3.991 29.993 -7.949 384 HB3 ASN 48 HB3 ASN 48 -2.990 29.365 -9.259 385 HD21 ASN 48 HD21 ASN 48 -3.497 30.253 -11.243 386 HD22 ASN 48 HD22 ASN 48 -5.100 30.822 -11.683 387 H VAL 49 H VAL 49 -6.528 26.974 -9.552 388 HA VAL 49 HA VAL 49 -5.629 26.235 -12.175 389 HB VAL 49 HB VAL 49 -4.543 24.394 -11.069 390 HG11 VAL 49 HG11 VAL 49 -5.700 22.721 -9.708 391 HG12 VAL 49 HG12 VAL 49 -5.719 24.308 -8.936 392 HG13 VAL 49 HG13 VAL 49 -7.180 23.709 -9.760 393 HG21 VAL 49 HG21 VAL 49 -5.463 22.450 -12.080 394 HG22 VAL 49 HG22 VAL 49 -7.075 23.157 -12.178 395 HG23 VAL 49 HG23 VAL 49 -5.749 23.808 -13.185 396 H ASP 50 H ASP 50 -7.475 25.019 -13.288 397 HA ASP 50 HA ASP 50 -10.124 26.082 -12.814 398 HB2 ASP 50 HB2 ASP 50 -8.999 25.351 -15.000 399 HB3 ASP 50 HB3 ASP 50 -9.243 23.688 -14.471 400 H GLY 51 H GLY 51 -11.923 24.064 -12.924 401 HA2 GLY 51 HA2 GLY 51 -12.480 23.306 -10.411 402 HA3 GLY 51 HA3 GLY 51 -13.056 22.407 -11.797 403 H THR 52 H THR 52 -9.867 21.777 -11.961 404 HA THR 52 HA THR 52 -9.885 19.090 -11.092 405 HB THR 52 HB THR 52 -7.609 21.115 -11.220 406 HG1 THR 52 HG1 THR 52 -7.292 20.167 -13.256 407 HG21 THR 52 HG21 THR 52 -7.522 18.077 -11.276 408 HG22 THR 52 HG22 THR 52 -6.982 19.092 -9.919 409 HG23 THR 52 HG23 THR 52 -6.134 19.185 -11.472 410 H THR 53 H THR 53 -8.262 21.827 -9.272 411 HA THR 53 HA THR 53 -8.010 20.195 -6.968 412 HB THR 53 HB THR 53 -6.579 22.139 -7.637 413 HG1 THR 53 HG1 THR 53 -6.089 22.531 -5.545 414 HG21 THR 53 HG21 THR 53 -8.462 23.857 -7.894 415 HG22 THR 53 HG22 THR 53 -7.095 24.370 -6.886 416 HG23 THR 53 HG23 THR 53 -8.605 23.851 -6.123 417 H TYR 54 H TYR 54 -10.472 22.573 -7.820 418 HA TYR 54 HA TYR 54 -12.021 22.738 -5.457 419 HB2 TYR 54 HB2 TYR 54 -12.850 22.491 -8.385 420 HB3 TYR 54 HB3 TYR 54 -13.967 22.815 -7.091 421 HD1 TYR 54 HD2 TYR 54 -11.007 24.268 -8.893 422 HD2 TYR 54 HD1 TYR 54 -14.243 24.966 -6.124 423 HE1 TYR 54 HE2 TYR 54 -10.582 26.705 -9.027 424 HE2 TYR 54 HE1 TYR 54 -13.813 27.422 -6.259 425 HH TYR 54 HH TYR 54 -11.210 28.792 -8.315 426 H LYS 55 H LYS 55 -12.378 20.391 -8.199 427 HA LYS 55 HA LYS 55 -14.183 18.772 -6.944 428 HB2 LYS 55 HB2 LYS 55 -13.797 18.987 -9.350 429 HB3 LYS 55 HB3 LYS 55 -12.267 18.207 -9.222 430 HG2 LYS 55 HG2 LYS 55 -13.807 16.321 -9.657 431 HG3 LYS 55 HG3 LYS 55 -13.831 16.315 -7.926 432 HD2 LYS 55 HD2 LYS 55 -15.667 18.253 -8.260 433 HD3 LYS 55 HD3 LYS 55 -15.858 17.483 -9.832 434 HE2 LYS 55 HE2 LYS 55 -16.173 15.254 -8.705 435 HE3 LYS 55 HE3 LYS 55 -16.094 16.063 -7.138 436 HZ1 LYS 55 HZ1 LYS 55 -18.397 15.752 -7.855 437 HZ2 LYS 55 HZ2 LYS 55 -18.144 16.587 -9.232 438 HZ3 LYS 55 HZ3 LYS 55 -18.077 17.352 -7.789 439 H LYS 56 H LYS 56 -10.599 18.307 -6.994 440 HA LYS 56 HA LYS 56 -10.589 15.961 -5.398 441 HB2 LYS 56 HB2 LYS 56 -8.551 18.166 -5.652 442 HB3 LYS 56 HB3 LYS 56 -8.358 16.868 -4.461 443 HG2 LYS 56 HG2 LYS 56 -7.182 16.107 -6.310 444 HG3 LYS 56 HG3 LYS 56 -8.697 15.192 -6.326 445 HD2 LYS 56 HD2 LYS 56 -9.539 16.544 -8.171 446 HD3 LYS 56 HD3 LYS 56 -8.033 17.510 -8.160 447 HE2 LYS 56 HE2 LYS 56 -6.687 15.677 -8.787 448 HE3 LYS 56 HE3 LYS 56 -7.905 14.492 -8.329 449 HZ1 LYS 56 HZ1 LYS 56 -7.721 14.753 -10.746 450 HZ2 LYS 56 HZ2 LYS 56 -8.214 16.308 -10.657 451 HZ3 LYS 56 HZ3 LYS 56 -9.222 15.081 -10.230 452 H LEU 57 H LEU 57 -10.711 19.349 -4.117 453 HA LEU 57 HA LEU 57 -10.831 18.190 -1.434 454 HB2 LEU 57 HB2 LEU 57 -10.563 20.189 -0.564 455 HB3 LEU 57 HB3 LEU 57 -9.457 20.083 -1.912 456 HG LEU 57 HG LEU 57 -11.270 21.473 -3.236 457 HD11 LEU 57 HD11 LEU 57 -11.974 22.188 -0.355 458 HD12 LEU 57 HD12 LEU 57 -13.077 21.536 -1.584 459 HD13 LEU 57 HD13 LEU 57 -12.411 23.148 -1.780 460 HD21 LEU 57 HD21 LEU 57 -9.550 22.734 -1.062 461 HD22 LEU 57 HD22 LEU 57 -10.194 23.562 -2.498 462 HD23 LEU 57 HD23 LEU 57 -9.012 22.263 -2.690 463 H VAL 58 H VAL 58 -13.306 19.301 -3.649 464 HA VAL 58 HA VAL 58 -15.326 19.144 -1.530 465 HB VAL 58 HB VAL 58 -15.395 20.699 -3.518 466 HG11 VAL 58 HG11 VAL 58 -16.169 20.009 -5.616 467 HG12 VAL 58 HG12 VAL 58 -14.998 18.766 -5.159 468 HG13 VAL 58 HG13 VAL 58 -16.718 18.415 -5.019 469 HG21 VAL 58 HG21 VAL 58 -17.299 20.377 -1.993 470 HG22 VAL 58 HG22 VAL 58 -17.810 20.691 -3.661 471 HG23 VAL 58 HG23 VAL 58 -17.873 19.035 -3.023 472 H THR 59 H THR 59 -13.844 16.894 -3.749 473 HA THR 59 HA THR 59 -15.922 14.861 -3.447 474 HB THR 59 HB THR 59 -14.320 14.923 -5.384 475 HG1 THR 59 HG1 THR 59 -15.628 13.174 -5.018 476 HG21 THR 59 HG21 THR 59 -12.299 13.359 -4.970 477 HG22 THR 59 HG22 THR 59 -12.366 13.938 -3.284 478 HG23 THR 59 HG23 THR 59 -12.208 15.065 -4.601 479 H LEU 60 H LEU 60 -12.926 15.742 -1.838 480 HA LEU 60 HA LEU 60 -12.541 13.701 0.000 481 HB2 LEU 60 HB2 LEU 60 -12.083 16.609 0.104 482 HB3 LEU 60 HB3 LEU 60 -12.322 15.870 1.671 483 HG LEU 60 HG LEU 60 -10.003 15.967 1.179 484 HD11 LEU 60 HD11 LEU 60 -10.874 13.907 2.376 485 HD12 LEU 60 HD12 LEU 60 -9.260 13.832 1.651 486 HD13 LEU 60 HD13 LEU 60 -10.629 13.035 0.843 487 HD21 LEU 60 HD21 LEU 60 -9.873 16.087 -1.104 488 HD22 LEU 60 HD22 LEU 60 -10.618 14.486 -1.346 489 HD23 LEU 60 HD23 LEU 60 -8.969 14.644 -0.647 490 H TYR 61 H TYR 61 -14.838 16.361 0.534 491 HA TYR 61 HA TYR 61 -16.113 14.996 2.792 492 HB2 TYR 61 HB2 TYR 61 -17.255 16.828 3.237 493 HB3 TYR 61 HB3 TYR 61 -16.197 17.610 2.048 494 HD1 TYR 61 HD1 TYR 61 -19.572 16.173 2.690 495 HD2 TYR 61 HD2 TYR 61 -17.175 18.415 -0.089 496 HE1 TYR 61 HE1 TYR 61 -21.620 16.827 1.484 497 HE2 TYR 61 HE2 TYR 61 -19.253 19.051 -1.320 498 HH TYR 61 HH TYR 61 -21.523 18.818 -1.489 499 H ASP 62 H ASP 62 -16.816 15.218 -0.602 500 HA ASP 62 HA ASP 62 -19.388 14.047 -0.651 501 HB2 ASP 62 HB2 ASP 62 -18.175 15.120 -2.626 502 HB3 ASP 62 HB3 ASP 62 -17.380 13.544 -2.837 503 H ARG 63 H ARG 63 -16.330 12.428 0.010 504 HA ARG 63 HA ARG 63 -18.104 10.051 0.497 505 HB2 ARG 63 HB2 ARG 63 -15.307 9.901 -0.606 506 HB3 ARG 63 HB3 ARG 63 -15.968 8.602 0.378 507 HG2 ARG 63 HG2 ARG 63 -18.093 8.920 -1.258 508 HG3 ARG 63 HG3 ARG 63 -16.836 9.443 -2.344 509 HD2 ARG 63 HD2 ARG 63 -15.687 7.298 -2.110 510 HD3 ARG 63 HD3 ARG 63 -16.755 6.832 -0.780 511 HE ARG 63 HE ARG 63 -18.030 7.452 -3.378 512 HH11 ARG 63 HH12 ARG 63 -17.133 4.794 -1.205 513 HH12 ARG 63 HH11 ARG 63 -18.565 3.905 -1.652 514 HH21 ARG 63 HH22 ARG 63 -19.673 6.144 -3.992 515 HH22 ARG 63 HH21 ARG 63 -19.945 4.653 -3.150 516 H PHE 64 H PHE 64 -15.518 11.946 2.030 517 HA PHE 64 HA PHE 64 -15.345 10.314 4.345 518 HB2 PHE 64 HB2 PHE 64 -13.772 12.049 4.033 519 HB3 PHE 64 HB3 PHE 64 -15.042 13.267 3.912 520 HD1 PHE 64 HD2 PHE 64 -13.186 10.966 6.228 521 HD2 PHE 64 HD1 PHE 64 -16.043 14.163 5.961 522 HE1 PHE 64 HE2 PHE 64 -12.996 11.351 8.680 523 HE2 PHE 64 HE1 PHE 64 -15.938 14.492 8.431 524 HZ PHE 64 HZ PHE 64 -14.461 13.020 9.795 525 H ARG 65 H ARG 65 -17.718 12.994 3.679 526 HA ARG 65 HA ARG 65 -18.954 12.842 6.299 527 HB2 ARG 65 HB2 ARG 65 -19.592 14.203 3.632 528 HB3 ARG 65 HB3 ARG 65 -20.500 14.490 5.027 529 HG2 ARG 65 HG2 ARG 65 -17.624 15.208 4.689 530 HG3 ARG 65 HG3 ARG 65 -18.991 16.327 4.766 531 HD2 ARG 65 HD2 ARG 65 -18.073 14.555 7.012 532 HD3 ARG 65 HD3 ARG 65 -17.628 16.240 6.828 533 HE ARG 65 HE ARG 65 -20.008 16.863 7.110 534 HH11 ARG 65 HH21 ARG 65 -19.131 13.686 8.425 535 HH12 ARG 65 HH22 ARG 65 -20.096 14.030 9.860 536 HH21 ARG 65 HH11 ARG 65 -21.098 17.095 8.984 537 HH22 ARG 65 HH12 ARG 65 -21.073 15.782 10.165 538 H PHE 66 H PHE 66 -19.738 11.776 3.154 539 HA PHE 66 HA PHE 66 -22.334 10.607 3.930 540 HB2 PHE 66 HB2 PHE 66 -20.902 10.827 1.267 541 HB3 PHE 66 HB3 PHE 66 -22.469 10.084 1.465 542 HD1 PHE 66 HD2 PHE 66 -24.040 11.834 3.171 543 HD2 PHE 66 HD1 PHE 66 -21.132 12.864 0.158 544 HE1 PHE 66 HE2 PHE 66 -25.139 14.033 2.856 545 HE2 PHE 66 HE1 PHE 66 -22.247 15.049 -0.174 546 HZ PHE 66 HZ PHE 66 -24.249 15.647 1.183 547 H GLU 67 H GLU 67 -19.455 9.183 2.335 548 HA GLU 67 HA GLU 67 -20.837 6.570 2.328 549 HB2 GLU 67 HB2 GLU 67 -18.537 7.779 0.732 550 HB3 GLU 67 HB3 GLU 67 -18.955 6.083 0.642 551 HG2 GLU 67 HG2 GLU 67 -20.842 8.392 0.062 552 HG3 GLU 67 HG3 GLU 67 -19.973 7.498 -1.167 553 H ASN 68 H ASN 68 -17.763 7.837 3.372 554 HA ASN 68 HA ASN 68 -16.550 5.231 3.846 555 HB2 ASN 68 HB2 ASN 68 -15.532 7.940 4.809 556 HB3 ASN 68 HB3 ASN 68 -14.621 6.429 4.614 557 HD21 ASN 68 HD22 ASN 68 -15.752 5.743 1.996 558 HD22 ASN 68 HD21 ASN 68 -14.653 6.679 1.018 559 H1 GLY 1 H1 GLY 1 -14.907 8.730 32.856 560 H2 GLY 1 H2 GLY 1 -14.969 8.837 31.221 561 H3 GLY 1 H3 GLY 1 -16.286 9.217 32.118 562 HA2 GLY 1 HA2 GLY 1 -15.168 11.113 33.086 563 HA3 GLY 1 HA3 GLY 1 -13.731 10.693 32.137 564 H SER 2 H SER 2 -15.635 13.088 32.180 565 HA SER 2 HA SER 2 -15.857 13.435 29.255 566 HB2 SER 2 HB2 SER 2 -18.177 14.231 29.405 567 HB3 SER 2 HB3 SER 2 -18.041 12.530 29.866 568 HG SER 2 HG SER 2 -19.360 13.706 31.328 569 H HIS 3 H HIS 3 -16.445 15.706 28.686 570 HA HIS 3 HA HIS 3 -15.812 17.797 30.640 571 HB2 HIS 3 HB2 HIS 3 -13.604 16.806 29.670 572 HB3 HIS 3 HB3 HIS 3 -14.058 17.582 28.152 573 HD1 HIS 3 HD1 HIS 3 -13.993 20.308 28.172 574 HD2 HIS 3 HD2 HIS 3 -12.859 18.356 31.729 575 HE1 HIS 3 HE1 HIS 3 -12.912 22.087 29.664 576 H MET 4 H MET 4 -16.032 19.986 29.667 577 HA MET 4 HA MET 4 -18.215 20.259 27.764 578 HB2 MET 4 HB2 MET 4 -16.306 22.352 28.903 579 HB3 MET 4 HB3 MET 4 -17.767 22.670 27.968 580 HG2 MET 4 HG2 MET 4 -18.428 23.024 30.162 581 HG3 MET 4 HG3 MET 4 -19.074 21.433 29.774 582 HE1 MET 4 HE1 MET 4 -18.378 21.196 33.620 583 HE2 MET 4 HE2 MET 4 -18.954 22.611 32.711 584 HE3 MET 4 HE3 MET 4 -19.570 20.989 32.317 585 H ARG 5 H ARG 5 -18.141 21.140 25.699 586 HA ARG 5 HA ARG 5 -15.522 21.236 24.250 587 HB2 ARG 5 HB2 ARG 5 -17.350 19.306 23.825 588 HB3 ARG 5 HB3 ARG 5 -18.084 20.527 22.819 589 HG2 ARG 5 HG2 ARG 5 -15.808 20.744 21.644 590 HG3 ARG 5 HG3 ARG 5 -15.286 19.351 22.540 591 HD2 ARG 5 HD2 ARG 5 -15.865 18.590 20.439 592 HD3 ARG 5 HD3 ARG 5 -17.017 17.951 21.592 593 HE ARG 5 HE ARG 5 -17.804 20.435 20.122 594 HH11 ARG 5 HH11 ARG 5 -18.244 16.969 20.337 595 HH12 ARG 5 HH12 ARG 5 -19.756 17.030 19.473 596 HH21 ARG 5 HH21 ARG 5 -19.594 20.440 18.923 597 HH22 ARG 5 HH22 ARG 5 -20.502 18.970 18.671 598 H MET 6 H MET 6 -15.379 22.820 22.577 599 HA MET 6 HA MET 6 -17.554 24.822 22.569 600 HB2 MET 6 HB2 MET 6 -14.585 25.336 22.293 601 HB3 MET 6 HB3 MET 6 -15.831 26.586 22.328 602 HG2 MET 6 HG2 MET 6 -15.188 24.708 24.628 603 HG3 MET 6 HG3 MET 6 -14.642 26.379 24.484 604 HE1 MET 6 HE1 MET 6 -17.206 26.399 27.476 605 HE2 MET 6 HE2 MET 6 -16.162 25.040 27.005 606 HE3 MET 6 HE3 MET 6 -15.526 26.702 26.981 607 H SER 7 H SER 7 -16.829 22.624 20.648 608 HA SER 7 HA SER 7 -16.580 22.142 18.531 609 HB2 SER 7 HB2 SER 7 -18.655 24.317 18.295 610 HB3 SER 7 HB3 SER 7 -18.288 23.147 17.007 611 HG SER 7 HG SER 7 -20.019 22.626 18.614 612 H LEU 8 H LEU 8 -16.792 25.679 17.525 613 HA LEU 8 HA LEU 8 -13.927 25.513 17.043 614 HB2 LEU 8 HB2 LEU 8 -14.275 26.560 14.772 615 HB3 LEU 8 HB3 LEU 8 -14.152 24.862 14.967 616 HG LEU 8 HG LEU 8 -15.836 26.011 13.301 617 HD11 LEU 8 HD11 LEU 8 -15.425 23.689 13.410 618 HD12 LEU 8 HD12 LEU 8 -17.161 23.979 13.271 619 HD13 LEU 8 HD13 LEU 8 -16.474 23.501 14.848 620 HD21 LEU 8 HD21 LEU 8 -18.102 26.142 13.915 621 HD22 LEU 8 HD22 LEU 8 -17.213 27.207 15.004 622 HD23 LEU 8 HD23 LEU 8 -17.792 25.621 15.572 623 H ILE 9 H ILE 9 -13.202 26.993 18.190 624 HA ILE 9 HA ILE 9 -14.524 29.506 18.721 625 HB ILE 9 HB ILE 9 -11.683 28.837 19.500 626 HG12 ILE 9 HG12 ILE 9 -14.128 27.579 20.802 627 HG13 ILE 9 HG13 ILE 9 -12.899 26.722 19.933 628 HG21 ILE 9 HG21 ILE 9 -13.938 30.188 21.043 629 HG22 ILE 9 HG22 ILE 9 -12.230 30.098 21.521 630 HG23 ILE 9 HG23 ILE 9 -12.692 31.047 20.117 631 HD11 ILE 9 HD11 ILE 9 -12.438 26.365 22.186 632 HD12 ILE 9 HD12 ILE 9 -11.196 27.471 21.580 633 HD13 ILE 9 HD13 ILE 9 -12.532 28.086 22.596 634 H GLY 10 H GLY 10 -11.838 28.458 16.757 635 HA2 GLY 10 HA2 GLY 10 -11.046 29.803 14.827 636 HA3 GLY 10 HA3 GLY 10 -11.317 31.267 15.754 637 H GLU 11 H GLU 11 -9.914 29.217 17.937 638 HA GLU 11 HA GLU 11 -7.121 29.367 16.957 639 HB2 GLU 11 HB2 GLU 11 -6.520 29.943 19.433 640 HB3 GLU 11 HB3 GLU 11 -6.792 31.224 18.232 641 HG2 GLU 11 HG2 GLU 11 -9.077 31.577 19.142 642 HG3 GLU 11 HG3 GLU 11 -8.806 30.299 20.329 643 H ARG 12 H ARG 12 -8.950 28.493 19.894 644 HA ARG 12 HA ARG 12 -9.004 26.642 21.192 645 HB2 ARG 12 HB2 ARG 12 -8.505 24.783 18.958 646 HB3 ARG 12 HB3 ARG 12 -9.531 24.733 20.362 647 HG2 ARG 12 HG2 ARG 12 -11.189 25.007 18.964 648 HG3 ARG 12 HG3 ARG 12 -10.840 26.706 19.128 649 HD2 ARG 12 HD2 ARG 12 -11.089 26.146 16.753 650 HD3 ARG 12 HD3 ARG 12 -9.418 26.596 17.041 651 HE ARG 12 HE ARG 12 -10.478 23.825 16.628 652 HH11 ARG 12 HH11 ARG 12 -7.610 25.906 16.585 653 HH12 ARG 12 HH12 ARG 12 -6.859 24.874 15.420 654 HH21 ARG 12 HH21 ARG 12 -9.172 22.387 15.508 655 HH22 ARG 12 HH22 ARG 12 -7.559 22.867 15.085 656 H PHE 13 H PHE 13 -6.481 27.847 21.169 657 HA PHE 13 HA PHE 13 -4.354 25.876 20.998 658 HB2 PHE 13 HB2 PHE 13 -4.620 28.751 21.567 659 HB3 PHE 13 HB3 PHE 13 -3.567 27.971 22.715 660 HD1 PHE 13 HD1 PHE 13 -4.226 27.479 19.025 661 HD2 PHE 13 HD2 PHE 13 -1.327 28.259 22.127 662 HE1 PHE 13 HE1 PHE 13 -2.393 27.383 17.338 663 HE2 PHE 13 HE2 PHE 13 0.505 28.166 20.433 664 HZ PHE 13 HZ PHE 13 -0.032 27.716 18.045 665 H THR 14 H THR 14 -3.015 25.364 22.977 666 HA THR 14 HA THR 14 -4.023 23.466 24.480 667 HB THR 14 HB THR 14 -1.707 24.032 24.467 668 HG1 THR 14 HG1 THR 14 -2.302 22.701 26.124 669 HG21 THR 14 HG21 THR 14 -0.668 25.717 25.814 670 HG22 THR 14 HG22 THR 14 -2.211 26.219 26.517 671 HG23 THR 14 HG23 THR 14 -1.870 26.525 24.797 672 H GLU 15 H GLU 15 -4.324 26.814 25.865 673 HA GLU 15 HA GLU 15 -5.806 25.900 28.190 674 HB2 GLU 15 HB2 GLU 15 -5.331 28.613 26.891 675 HB3 GLU 15 HB3 GLU 15 -6.288 28.407 28.374 676 HG2 GLU 15 HG2 GLU 15 -4.328 27.314 29.468 677 HG3 GLU 15 HG3 GLU 15 -3.364 27.627 28.025 678 H GLU 16 H GLU 16 -6.762 26.929 25.029 679 HA GLU 16 HA GLU 16 -9.685 26.802 25.573 680 HB2 GLU 16 HB2 GLU 16 -8.233 27.726 23.065 681 HB3 GLU 16 HB3 GLU 16 -9.940 27.899 23.423 682 HG2 GLU 16 HG2 GLU 16 -7.645 29.345 24.792 683 HG3 GLU 16 HG3 GLU 16 -8.825 30.025 23.684 684 H GLU 17 H GLU 17 -7.442 24.584 24.979 685 HA GLU 17 HA GLU 17 -8.335 23.345 22.570 686 HB2 GLU 17 HB2 GLU 17 -6.042 23.283 23.575 687 HB3 GLU 17 HB3 GLU 17 -6.631 22.085 24.744 688 HG2 GLU 17 HG2 GLU 17 -7.101 20.516 22.920 689 HG3 GLU 17 HG3 GLU 17 -6.813 21.786 21.733 690 H GLN 18 H GLN 18 -9.515 23.003 25.647 691 HA GLN 18 HA GLN 18 -10.589 20.698 26.157 692 HB2 GLN 18 HB2 GLN 18 -12.526 21.474 27.185 693 HB3 GLN 18 HB3 GLN 18 -11.360 22.765 27.387 694 HG2 GLN 18 HG2 GLN 18 -13.687 22.720 25.436 695 HG3 GLN 18 HG3 GLN 18 -13.560 23.585 26.983 696 HE21 GLN 18 HE22 GLN 18 -13.055 23.911 23.632 697 HE22 GLN 18 HE21 GLN 18 -11.813 25.168 23.690 698 H LYS 19 H LYS 19 -11.719 22.428 23.415 699 HA LYS 19 HA LYS 19 -13.756 20.704 22.399 700 HB2 LYS 19 HB2 LYS 19 -13.366 22.865 21.398 701 HB3 LYS 19 HB3 LYS 19 -11.690 22.551 21.262 702 HG2 LYS 19 HG2 LYS 19 -13.129 22.655 19.178 703 HG3 LYS 19 HG3 LYS 19 -11.728 21.588 19.395 704 HD2 LYS 19 HD2 LYS 19 -12.758 19.725 19.185 705 HD3 LYS 19 HD3 LYS 19 -14.221 20.216 19.989 706 HE2 LYS 19 HE2 LYS 19 -14.454 19.529 17.529 707 HE3 LYS 19 HE3 LYS 19 -15.105 21.108 17.897 708 HZ1 LYS 19 HZ1 LYS 19 -13.312 22.161 16.893 709 HZ2 LYS 19 HZ2 LYS 19 -13.716 21.005 15.842 710 HZ3 LYS 19 HZ3 LYS 19 -12.368 20.804 16.768 711 H LEU 20 H LEU 20 -10.321 20.695 21.629 712 HA LEU 20 HA LEU 20 -10.415 18.349 19.931 713 HB2 LEU 20 HB2 LEU 20 -8.063 19.945 21.046 714 HB3 LEU 20 HB3 LEU 20 -7.974 18.811 19.764 715 HG LEU 20 HG LEU 20 -7.795 20.715 18.639 716 HD11 LEU 20 HD11 LEU 20 -9.395 19.379 17.504 717 HD12 LEU 20 HD12 LEU 20 -9.892 21.077 17.355 718 HD13 LEU 20 HD13 LEU 20 -10.741 19.988 18.466 719 HD21 LEU 20 HD21 LEU 20 -8.100 22.366 20.162 720 HD22 LEU 20 HD22 LEU 20 -9.743 21.931 20.589 721 HD23 LEU 20 HD23 LEU 20 -9.413 22.664 19.012 722 H LEU 21 H LEU 21 -9.472 19.166 23.184 723 HA LEU 21 HA LEU 21 -8.457 16.624 24.107 724 HB2 LEU 21 HB2 LEU 21 -8.068 17.913 25.894 725 HB3 LEU 21 HB3 LEU 21 -9.162 19.155 25.338 726 HG LEU 21 HG LEU 21 -11.065 18.024 26.419 727 HD11 LEU 21 HD11 LEU 21 -10.490 16.298 28.282 728 HD12 LEU 21 HD12 LEU 21 -8.919 16.089 27.486 729 HD13 LEU 21 HD13 LEU 21 -10.428 15.617 26.695 730 HD21 LEU 21 HD21 LEU 21 -10.783 18.524 28.542 731 HD22 LEU 21 HD22 LEU 21 -9.744 19.690 27.699 732 HD23 LEU 21 HD23 LEU 21 -8.999 18.320 28.539 733 H LEU 22 H LEU 22 -11.861 18.013 23.954 734 HA LEU 22 HA LEU 22 -12.666 15.905 25.683 735 HB2 LEU 22 HB2 LEU 22 -13.975 17.831 25.681 736 HB3 LEU 22 HB3 LEU 22 -14.225 17.842 23.943 737 HG LEU 22 HG LEU 22 -16.210 17.368 25.351 738 HD11 LEU 22 HD11 LEU 22 -15.998 16.562 22.938 739 HD12 LEU 22 HD12 LEU 22 -17.244 15.817 23.958 740 HD13 LEU 22 HD13 LEU 22 -15.754 14.943 23.611 741 HD21 LEU 22 HD21 LEU 22 -14.915 14.665 25.888 742 HD22 LEU 22 HD22 LEU 22 -16.544 15.182 26.370 743 HD23 LEU 22 HD23 LEU 22 -15.103 15.958 27.058 744 H ASN 23 H ASN 23 -12.921 16.583 22.296 745 HA ASN 23 HA ASN 23 -14.103 14.395 21.019 746 HB2 ASN 23 HB2 ASN 23 -12.061 16.572 20.430 747 HB3 ASN 23 HB3 ASN 23 -12.361 15.424 19.220 748 HD21 ASN 23 HD21 ASN 23 -12.966 17.946 18.727 749 HD22 ASN 23 HD22 ASN 23 -14.717 18.143 18.669 750 H ILE 24 H ILE 24 -10.577 14.783 21.757 751 HA ILE 24 HA ILE 24 -10.056 12.184 20.509 752 HB ILE 24 HB ILE 24 -7.858 12.199 21.343 753 HG12 ILE 24 HG12 ILE 24 -8.624 14.600 22.971 754 HG13 ILE 24 HG13 ILE 24 -8.091 13.054 23.547 755 HG21 ILE 24 HG21 ILE 24 -8.386 13.338 19.258 756 HG22 ILE 24 HG22 ILE 24 -8.571 14.872 20.111 757 HG23 ILE 24 HG23 ILE 24 -6.996 14.065 20.058 758 HD11 ILE 24 HD11 ILE 24 -5.841 13.471 22.491 759 HD12 ILE 24 HD12 ILE 24 -6.396 15.115 22.080 760 HD13 ILE 24 HD13 ILE 24 -6.274 14.618 23.775 761 H LEU 25 H LEU 25 -10.924 13.232 23.732 762 HA LEU 25 HA LEU 25 -10.135 10.827 25.021 763 HB2 LEU 25 HB2 LEU 25 -10.259 13.101 26.021 764 HB3 LEU 25 HB3 LEU 25 -12.017 13.037 25.929 765 HG LEU 25 HG LEU 25 -12.023 11.094 27.502 766 HD11 LEU 25 HD11 LEU 25 -9.785 10.169 27.106 767 HD12 LEU 25 HD12 LEU 25 -9.924 10.657 28.798 768 HD13 LEU 25 HD13 LEU 25 -9.032 11.685 27.650 769 HD21 LEU 25 HD21 LEU 25 -12.299 13.411 28.309 770 HD22 LEU 25 HD22 LEU 25 -10.538 13.558 28.501 771 HD23 LEU 25 HD23 LEU 25 -11.455 12.404 29.496 772 H ILE 26 H ILE 26 -13.220 11.885 23.607 773 HA ILE 26 HA ILE 26 -14.805 9.860 24.881 774 HB ILE 26 HB ILE 26 -16.627 10.594 23.358 775 HG12 ILE 26 HG12 ILE 26 -14.885 12.922 22.518 776 HG13 ILE 26 HG13 ILE 26 -15.002 11.538 21.476 777 HG21 ILE 26 HG21 ILE 26 -16.281 11.494 25.605 778 HG22 ILE 26 HG22 ILE 26 -15.113 12.674 24.991 779 HG23 ILE 26 HG23 ILE 26 -16.822 12.800 24.544 780 HD11 ILE 26 HD11 ILE 26 -17.476 11.822 21.377 781 HD12 ILE 26 HD12 ILE 26 -17.322 13.289 22.371 782 HD13 ILE 26 HD13 ILE 26 -16.573 13.222 20.767 783 H ASN 27 H ASN 27 -14.194 10.114 21.382 784 HA ASN 27 HA ASN 27 -14.179 7.154 21.070 785 HB2 ASN 27 HB2 ASN 27 -15.978 9.109 19.554 786 HB3 ASN 27 HB3 ASN 27 -15.777 7.409 19.153 787 HD21 ASN 27 HD21 ASN 27 -17.652 9.592 20.996 788 HD22 ASN 27 HD22 ASN 27 -18.472 8.368 21.953 789 H HIS 28 H HIS 28 -12.387 9.674 20.809 790 HA HIS 28 HA HIS 28 -10.695 10.451 19.736 791 HB2 HIS 28 HB2 HIS 28 -10.573 8.063 17.912 792 HB3 HIS 28 HB3 HIS 28 -9.255 9.099 18.438 793 HD1 HIS 28 HD1 HIS 28 -9.594 8.950 21.604 794 HD2 HIS 28 HD2 HIS 28 -10.036 5.742 18.908 795 HE1 HIS 28 HE1 HIS 28 -9.186 6.827 22.946 796 H GLU 29 H GLU 29 -9.846 11.585 18.011 797 HA GLU 29 HA GLU 29 -9.869 12.991 16.249 798 HB2 GLU 29 HB2 GLU 29 -10.817 10.469 14.861 799 HB3 GLU 29 HB3 GLU 29 -9.984 11.835 14.107 800 HG2 GLU 29 HG2 GLU 29 -8.031 11.448 15.624 801 HG3 GLU 29 HG3 GLU 29 -8.820 9.989 16.224 802 H TYR 30 H TYR 30 -12.553 13.216 17.609 803 HA TYR 30 HA TYR 30 -14.500 13.360 15.540 804 HB2 TYR 30 HB2 TYR 30 -14.952 13.036 17.974 805 HB3 TYR 30 HB3 TYR 30 -14.587 14.750 18.204 806 HD1 TYR 30 HD1 TYR 30 -16.884 12.391 16.412 807 HD2 TYR 30 HD2 TYR 30 -16.206 16.454 17.700 808 HE1 TYR 30 HE1 TYR 30 -19.217 12.997 15.774 809 HE2 TYR 30 HE2 TYR 30 -18.502 17.048 17.087 810 HH TYR 30 HH TYR 30 -20.514 16.312 16.194 811 H ALA 31 H ALA 31 -12.377 16.034 16.705 812 HA ALA 31 HA ALA 31 -13.653 18.240 15.681 813 HB1 ALA 31 HB1 ALA 31 -11.346 19.143 15.409 814 HB2 ALA 31 HB2 ALA 31 -11.522 18.220 16.933 815 HB3 ALA 31 HB3 ALA 31 -10.697 17.504 15.523 816 H ILE 32 H ILE 32 -11.799 15.866 13.835 817 HA ILE 32 HA ILE 32 -11.698 17.103 11.353 818 HB ILE 32 HB ILE 32 -11.861 14.253 12.275 819 HG12 ILE 32 HG12 ILE 32 -9.477 14.094 11.627 820 HG13 ILE 32 HG13 ILE 32 -9.482 15.803 11.192 821 HG21 ILE 32 HG21 ILE 32 -11.138 13.437 10.157 822 HG22 ILE 32 HG22 ILE 32 -12.622 14.308 9.894 823 HG23 ILE 32 HG23 ILE 32 -11.100 15.116 9.494 824 HD11 ILE 32 HD11 ILE 32 -9.644 16.443 13.495 825 HD12 ILE 32 HD12 ILE 32 -10.142 14.798 13.988 826 HD13 ILE 32 HD13 ILE 32 -8.489 15.095 13.464 827 H GLU 33 H GLU 33 -14.347 15.222 12.788 828 HA GLU 33 HA GLU 33 -16.101 14.913 10.571 829 HB2 GLU 33 HB2 GLU 33 -16.211 14.035 12.984 830 HB3 GLU 33 HB3 GLU 33 -17.020 15.537 13.397 831 HG2 GLU 33 HG2 GLU 33 -17.987 13.640 11.218 832 HG3 GLU 33 HG3 GLU 33 -18.393 13.411 12.911 833 H LEU 34 H LEU 34 -15.790 17.551 12.947 834 HA LEU 34 HA LEU 34 -17.522 19.412 11.687 835 HB2 LEU 34 HB2 LEU 34 -15.246 19.579 13.713 836 HB3 LEU 34 HB3 LEU 34 -15.923 21.041 13.052 837 HG LEU 34 HG LEU 34 -16.758 20.363 15.262 838 HD11 LEU 34 HD11 LEU 34 -18.109 21.842 13.750 839 HD12 LEU 34 HD12 LEU 34 -19.111 20.898 14.861 840 HD13 LEU 34 HD13 LEU 34 -18.971 20.409 13.161 841 HD21 LEU 34 HD21 LEU 34 -18.412 18.676 15.582 842 HD22 LEU 34 HD22 LEU 34 -16.889 17.945 15.020 843 HD23 LEU 34 HD23 LEU 34 -18.267 18.138 13.905 844 H LEU 35 H LEU 35 -13.932 18.925 11.344 845 HA LEU 35 HA LEU 35 -13.409 21.147 9.699 846 HB2 LEU 35 HB2 LEU 35 -11.794 19.474 10.732 847 HB3 LEU 35 HB3 LEU 35 -12.163 18.356 9.435 848 HG LEU 35 HG LEU 35 -10.872 21.081 9.061 849 HD11 LEU 35 HD11 LEU 35 -9.480 19.403 10.337 850 HD12 LEU 35 HD12 LEU 35 -8.804 19.827 8.769 851 HD13 LEU 35 HD13 LEU 35 -9.656 18.281 8.976 852 HD21 LEU 35 HD21 LEU 35 -11.294 18.797 7.119 853 HD22 LEU 35 HD22 LEU 35 -10.151 20.149 6.872 854 HD23 LEU 35 HD23 LEU 35 -11.863 20.477 6.965 855 H SER 36 H SER 36 -14.336 17.799 8.499 856 HA SER 36 HA SER 36 -14.309 18.696 5.766 857 HB2 SER 36 HB2 SER 36 -13.879 16.401 6.449 858 HB3 SER 36 HB3 SER 36 -15.541 16.266 7.033 859 HG SER 36 HG SER 36 -14.617 16.626 4.366 860 H SER 37 H SER 37 -16.896 18.420 8.236 861 HA SER 37 HA SER 37 -19.017 18.995 6.438 862 HB2 SER 37 HB2 SER 37 -18.915 18.360 9.088 863 HB3 SER 37 HB3 SER 37 -19.381 20.062 9.187 864 HG SER 37 HG SER 37 -21.171 19.605 7.913 865 H GLU 38 H GLU 38 -16.847 20.987 8.331 866 HA GLU 38 HA GLU 38 -18.009 23.599 7.892 867 HB2 GLU 38 HB2 GLU 38 -15.336 22.592 8.918 868 HB3 GLU 38 HB3 GLU 38 -15.502 24.266 8.556 869 HG2 GLU 38 HG2 GLU 38 -17.357 22.789 10.471 870 HG3 GLU 38 HG3 GLU 38 -15.907 23.665 10.952 871 H ILE 39 H ILE 39 -15.170 21.973 6.327 872 HA ILE 39 HA ILE 39 -14.606 24.187 4.611 873 HB ILE 39 HB ILE 39 -13.400 22.580 3.199 874 HG12 ILE 39 HG12 ILE 39 -13.087 20.304 4.762 875 HG13 ILE 39 HG13 ILE 39 -14.805 20.583 4.792 876 HG21 ILE 39 HG21 ILE 39 -11.661 22.110 4.950 877 HG22 ILE 39 HG22 ILE 39 -12.334 23.743 5.025 878 HG23 ILE 39 HG23 ILE 39 -12.869 22.522 6.194 879 HD11 ILE 39 HD11 ILE 39 -14.806 20.601 2.262 880 HD12 ILE 39 HD12 ILE 39 -13.060 20.279 2.304 881 HD13 ILE 39 HD13 ILE 39 -14.200 19.080 2.945 882 H ASN 40 H ASN 40 -16.632 21.266 4.127 883 HA ASN 40 HA ASN 40 -17.440 22.284 1.522 884 HB2 ASN 40 HB2 ASN 40 -18.725 20.521 1.190 885 HB3 ASN 40 HB3 ASN 40 -17.574 19.856 2.343 886 HD21 ASN 40 HD21 ASN 40 -18.378 19.127 4.307 887 HD22 ASN 40 HD22 ASN 40 -20.104 19.103 4.668 888 H ASP 41 H ASP 41 -18.632 23.117 4.725 889 HA ASP 41 HA ASP 41 -21.051 24.398 3.765 890 HB2 ASP 41 HB2 ASP 41 -20.359 23.741 6.204 891 HB3 ASP 41 HB3 ASP 41 -19.559 25.309 6.227 892 H ILE 42 H ILE 42 -17.648 25.405 3.904 893 HA ILE 42 HA ILE 42 -18.275 28.133 2.930 894 HB ILE 42 HB ILE 42 -15.633 26.643 3.128 895 HG12 ILE 42 HG12 ILE 42 -15.106 28.562 4.707 896 HG13 ILE 42 HG13 ILE 42 -16.798 29.048 4.626 897 HG21 ILE 42 HG21 ILE 42 -16.172 29.474 2.122 898 HG22 ILE 42 HG22 ILE 42 -14.569 28.815 2.516 899 HG23 ILE 42 HG23 ILE 42 -15.480 28.129 1.182 900 HD11 ILE 42 HD11 ILE 42 -16.142 27.663 6.647 901 HD12 ILE 42 HD12 ILE 42 -17.471 26.950 5.709 902 HD13 ILE 42 HD13 ILE 42 -15.803 26.333 5.544 903 H GLU 43 H GLU 43 -16.970 25.135 1.448 904 HA GLU 43 HA GLU 43 -16.550 26.289 -1.089 905 HB2 GLU 43 HB2 GLU 43 -15.633 24.130 0.020 906 HB3 GLU 43 HB3 GLU 43 -17.056 23.326 -0.579 907 HG2 GLU 43 HG2 GLU 43 -15.107 23.015 -2.073 908 HG3 GLU 43 HG3 GLU 43 -16.467 23.778 -2.883 909 H THR 44 H THR 44 -19.273 24.391 0.071 910 HA THR 44 HA THR 44 -20.841 25.138 -2.377 911 HB THR 44 HB THR 44 -20.168 22.797 -2.501 912 HG1 THR 44 HG1 THR 44 -22.946 23.172 -2.087 913 HG21 THR 44 HG21 THR 44 -20.081 22.040 -0.244 914 HG22 THR 44 HG22 THR 44 -21.354 21.126 -1.055 915 HG23 THR 44 HG23 THR 44 -21.783 22.449 0.053 916 H GLY 45 H GLY 45 -20.999 24.626 1.195 917 HA2 GLY 45 HA2 GLY 45 -23.769 25.359 1.416 918 HA3 GLY 45 HA3 GLY 45 -22.544 25.535 2.671 919 H THR 46 H THR 46 -20.935 27.309 0.817 920 HA THR 46 HA THR 46 -20.559 29.431 0.347 921 HB THR 46 HB THR 46 -23.469 29.997 -0.220 922 HG1 THR 46 HG1 THR 46 -22.887 28.011 -1.206 923 HG21 THR 46 HG21 THR 46 -20.828 30.813 -1.527 924 HG22 THR 46 HG22 THR 46 -21.830 31.863 -0.505 925 HG23 THR 46 HG23 THR 46 -22.448 31.314 -2.069 926 H LYS 47 H LYS 47 -20.613 28.893 2.954 927 HA LYS 47 HA LYS 47 -21.751 31.011 4.565 928 HB2 LYS 47 HB2 LYS 47 -19.166 29.406 4.798 929 HB3 LYS 47 HB3 LYS 47 -19.656 30.595 5.980 930 HG2 LYS 47 HG2 LYS 47 -21.168 28.059 5.275 931 HG3 LYS 47 HG3 LYS 47 -20.187 28.318 6.708 932 HD2 LYS 47 HD2 LYS 47 -22.819 29.689 6.018 933 HD3 LYS 47 HD3 LYS 47 -22.558 28.435 7.223 934 HE2 LYS 47 HE2 LYS 47 -21.033 29.945 8.489 935 HE3 LYS 47 HE3 LYS 47 -21.353 31.235 7.322 936 HZ1 LYS 47 HZ1 LYS 47 -22.792 31.433 9.271 937 HZ2 LYS 47 HZ2 LYS 47 -23.406 29.941 9.039 938 HZ3 LYS 47 HZ3 LYS 47 -23.712 31.127 7.958 939 H ASN 48 H ASN 48 -21.022 33.056 5.033 940 HA ASN 48 HA ASN 48 -18.654 34.205 3.782 941 HB2 ASN 48 HB2 ASN 48 -20.260 34.314 1.909 942 HB3 ASN 48 HB3 ASN 48 -21.463 35.072 2.953 943 HD21 ASN 48 HD21 ASN 48 -21.577 37.276 2.639 944 HD22 ASN 48 HD22 ASN 48 -20.204 38.278 2.191 945 H VAL 49 H VAL 49 -17.813 35.333 5.399 946 HA VAL 49 HA VAL 49 -19.207 37.333 6.944 947 HB VAL 49 HB VAL 49 -20.068 35.561 8.259 948 HG11 VAL 49 HG11 VAL 49 -18.680 33.789 9.295 949 HG12 VAL 49 HG12 VAL 49 -18.723 33.685 7.537 950 HG13 VAL 49 HG13 VAL 49 -17.290 34.388 8.338 951 HG21 VAL 49 HG21 VAL 49 -17.578 36.414 9.777 952 HG22 VAL 49 HG22 VAL 49 -19.073 37.377 9.647 953 HG23 VAL 49 HG23 VAL 49 -19.084 35.795 10.464 954 H ASP 50 H ASP 50 -17.687 38.277 8.552 955 HA ASP 50 HA ASP 50 -15.412 39.125 7.063 956 HB2 ASP 50 HB2 ASP 50 -17.049 40.580 8.282 957 HB3 ASP 50 HB3 ASP 50 -16.363 39.935 9.783 958 H GLY 51 H GLY 51 -14.613 36.879 7.402 959 HA2 GLY 51 HA2 GLY 51 -12.529 35.802 7.757 960 HA3 GLY 51 HA3 GLY 51 -12.138 36.861 9.097 961 H THR 52 H THR 52 -15.143 36.010 10.028 962 HA THR 52 HA THR 52 -14.272 34.224 12.021 963 HB THR 52 HB THR 52 -17.058 34.559 10.869 964 HG1 THR 52 HG1 THR 52 -17.242 36.041 12.598 965 HG21 THR 52 HG21 THR 52 -16.191 33.563 13.601 966 HG22 THR 52 HG22 THR 52 -16.939 32.579 12.315 967 HG23 THR 52 HG23 THR 52 -17.867 33.889 13.060 968 H THR 53 H THR 53 -16.342 33.240 9.169 969 HA THR 53 HA THR 53 -15.942 30.505 9.547 970 HB THR 53 HB THR 53 -17.701 31.651 8.208 971 HG1 THR 53 HG1 THR 53 -17.450 29.464 8.027 972 HG21 THR 53 HG21 THR 53 -16.227 33.147 6.785 973 HG22 THR 53 HG22 THR 53 -17.413 32.195 5.886 974 HG23 THR 53 HG23 THR 53 -15.716 31.690 5.899 975 H TYR 54 H TYR 54 -13.964 32.748 7.657 976 HA TYR 54 HA TYR 54 -12.111 30.979 6.424 977 HB2 TYR 54 HB2 TYR 54 -11.764 33.748 7.670 978 HB3 TYR 54 HB3 TYR 54 -10.504 32.931 6.792 979 HD1 TYR 54 HD1 TYR 54 -13.885 34.468 6.411 980 HD2 TYR 54 HD2 TYR 54 -10.486 32.714 4.415 981 HE1 TYR 54 HE1 TYR 54 -14.744 35.308 4.234 982 HE2 TYR 54 HE2 TYR 54 -11.355 33.549 2.221 983 HH TYR 54 HH TYR 54 -14.402 35.426 1.969 984 H LYS 55 H LYS 55 -11.769 32.717 9.570 985 HA LYS 55 HA LYS 55 -9.530 31.434 10.411 986 HB2 LYS 55 HB2 LYS 55 -10.405 33.592 11.147 987 HB3 LYS 55 HB3 LYS 55 -11.706 32.832 11.983 988 HG2 LYS 55 HG2 LYS 55 -9.960 33.036 13.704 989 HG3 LYS 55 HG3 LYS 55 -9.610 31.436 13.109 990 HD2 LYS 55 HD2 LYS 55 -8.237 32.800 11.234 991 HD3 LYS 55 HD3 LYS 55 -8.230 34.048 12.474 992 HE2 LYS 55 HE2 LYS 55 -7.295 32.407 14.130 993 HE3 LYS 55 HE3 LYS 55 -7.221 31.190 12.854 994 HZ1 LYS 55 HZ1 LYS 55 -5.081 32.311 13.132 995 HZ2 LYS 55 HZ2 LYS 55 -5.742 33.773 12.842 996 HZ3 LYS 55 HZ3 LYS 55 -5.670 32.659 11.649 997 H LYS 56 H LYS 56 -12.897 30.433 11.192 998 HA LYS 56 HA LYS 56 -12.065 28.165 12.738 999 HB2 LYS 56 HB2 LYS 56 -14.644 28.724 11.288 1000 HB3 LYS 56 HB3 LYS 56 -14.336 27.162 12.089 1001 HG2 LYS 56 HG2 LYS 56 -15.391 28.378 13.765 1002 HG3 LYS 56 HG3 LYS 56 -13.698 28.645 14.157 1003 HD2 LYS 56 HD2 LYS 56 -13.818 30.847 13.094 1004 HD3 LYS 56 HD3 LYS 56 -15.515 30.583 12.632 1005 HE2 LYS 56 HE2 LYS 56 -14.420 30.402 15.433 1006 HE3 LYS 56 HE3 LYS 56 -15.028 31.929 14.747 1007 HZ1 LYS 56 HZ1 LYS 56 -17.194 30.606 14.428 1008 HZ2 LYS 56 HZ2 LYS 56 -16.806 31.003 15.966 1009 HZ3 LYS 56 HZ3 LYS 56 -16.536 29.490 15.461 1010 H LEU 57 H LEU 57 -12.458 28.370 9.215 1011 HA LEU 57 HA LEU 57 -11.928 25.579 8.702 1012 HB2 LEU 57 HB2 LEU 57 -13.143 26.880 7.270 1013 HB3 LEU 57 HB3 LEU 57 -11.928 28.135 7.061 1014 HG LEU 57 HG LEU 57 -11.403 25.305 6.126 1015 HD11 LEU 57 HD11 LEU 57 -12.229 25.994 3.889 1016 HD12 LEU 57 HD12 LEU 57 -12.700 27.577 4.545 1017 HD13 LEU 57 HD13 LEU 57 -13.522 26.103 5.092 1018 HD21 LEU 57 HD21 LEU 57 -9.404 26.715 6.058 1019 HD22 LEU 57 HD22 LEU 57 -10.318 28.020 5.270 1020 HD23 LEU 57 HD23 LEU 57 -9.987 26.499 4.417 1021 H VAL 58 H VAL 58 -9.822 28.465 8.716 1022 HA VAL 58 HA VAL 58 -7.505 26.859 8.059 1023 HB VAL 58 HB VAL 58 -7.991 29.195 7.294 1024 HG11 VAL 58 HG11 VAL 58 -8.430 30.010 9.658 1025 HG12 VAL 58 HG12 VAL 58 -6.684 30.146 9.858 1026 HG13 VAL 58 HG13 VAL 58 -7.526 31.085 8.586 1027 HG21 VAL 58 HG21 VAL 58 -5.666 29.882 7.186 1028 HG22 VAL 58 HG22 VAL 58 -5.247 28.753 8.491 1029 HG23 VAL 58 HG23 VAL 58 -5.818 28.138 6.912 1030 H THR 59 H THR 59 -8.959 27.827 11.068 1031 HA THR 59 HA THR 59 -6.583 27.318 12.682 1032 HB THR 59 HB THR 59 -8.524 28.772 13.397 1033 HG1 THR 59 HG1 THR 59 -6.930 28.250 14.835 1034 HG21 THR 59 HG21 THR 59 -9.714 26.091 14.220 1035 HG22 THR 59 HG22 THR 59 -10.289 27.191 12.980 1036 HG23 THR 59 HG23 THR 59 -10.312 27.707 14.664 1037 H LEU 60 H LEU 60 -9.406 25.408 11.628 1038 HA LEU 60 HA LEU 60 -8.944 22.989 12.984 1039 HB2 LEU 60 HB2 LEU 60 -10.048 23.569 10.311 1040 HB3 LEU 60 HB3 LEU 60 -9.382 21.958 10.516 1041 HG LEU 60 HG LEU 60 -11.725 21.962 10.926 1042 HD11 LEU 60 HD11 LEU 60 -11.913 20.677 12.875 1043 HD12 LEU 60 HD12 LEU 60 -10.466 21.408 13.618 1044 HD13 LEU 60 HD13 LEU 60 -10.322 20.313 12.229 1045 HD21 LEU 60 HD21 LEU 60 -12.666 22.997 12.999 1046 HD22 LEU 60 HD22 LEU 60 -12.236 24.056 11.657 1047 HD23 LEU 60 HD23 LEU 60 -11.157 23.971 13.070 1048 H TYR 61 H TYR 61 -7.291 23.870 9.926 1049 HA TYR 61 HA TYR 61 -5.335 21.730 10.207 1050 HB2 TYR 61 HB2 TYR 61 -4.569 22.190 8.199 1051 HB3 TYR 61 HB3 TYR 61 -5.909 23.341 8.070 1052 HD1 TYR 61 HD2 TYR 61 -2.272 22.877 8.623 1053 HD2 TYR 61 HD1 TYR 61 -5.381 25.782 8.026 1054 HE1 TYR 61 HE2 TYR 61 -0.555 24.584 8.156 1055 HE2 TYR 61 HE1 TYR 61 -3.633 27.517 7.594 1056 HH TYR 61 HH TYR 61 -1.403 27.996 7.477 1057 H ASP 62 H ASP 62 -5.312 25.057 11.233 1058 HA ASP 62 HA ASP 62 -2.592 25.328 11.945 1059 HB2 ASP 62 HB2 ASP 62 -4.303 27.200 11.879 1060 HB3 ASP 62 HB3 ASP 62 -4.805 26.658 13.496 1061 H ARG 63 H ARG 63 -5.085 23.495 13.654 1062 HA ARG 63 HA ARG 63 -2.707 22.577 15.261 1063 HB2 ARG 63 HB2 ARG 63 -5.445 23.010 16.375 1064 HB3 ARG 63 HB3 ARG 63 -4.494 21.663 17.001 1065 HG2 ARG 63 HG2 ARG 63 -2.507 23.299 17.213 1066 HG3 ARG 63 HG3 ARG 63 -3.693 24.565 17.048 1067 HD2 ARG 63 HD2 ARG 63 -4.890 23.631 19.034 1068 HD3 ARG 63 HD3 ARG 63 -3.680 22.349 19.136 1069 HE ARG 63 HE ARG 63 -2.802 25.203 19.222 1070 HH11 ARG 63 HH11 ARG 63 -2.995 22.217 21.107 1071 HH12 ARG 63 HH12 ARG 63 -1.450 22.536 21.853 1072 HH21 ARG 63 HH21 ARG 63 -1.035 25.639 20.445 1073 HH22 ARG 63 HH22 ARG 63 -0.464 24.472 21.600 1074 H PHE 64 H PHE 64 -5.451 21.306 13.458 1075 HA PHE 64 HA PHE 64 -4.946 18.588 14.035 1076 HB2 PHE 64 HB2 PHE 64 -6.917 19.231 12.848 1077 HB3 PHE 64 HB3 PHE 64 -5.961 19.996 11.575 1078 HD1 PHE 64 HD2 PHE 64 -6.961 16.695 13.022 1079 HD2 PHE 64 HD1 PHE 64 -5.064 18.732 9.763 1080 HE1 PHE 64 HE2 PHE 64 -6.887 14.559 11.718 1081 HE2 PHE 64 HE1 PHE 64 -4.888 16.618 8.501 1082 HZ PHE 64 HZ PHE 64 -5.743 14.502 9.514 1083 H ARG 65 H ARG 65 -3.334 20.563 11.430 1084 HA ARG 65 HA ARG 65 -1.778 18.323 10.429 1085 HB2 ARG 65 HB2 ARG 65 -1.857 21.353 10.051 1086 HB3 ARG 65 HB3 ARG 65 -0.734 20.410 9.196 1087 HG2 ARG 65 HG2 ARG 65 -3.699 20.116 8.955 1088 HG3 ARG 65 HG3 ARG 65 -2.659 20.916 7.780 1089 HD2 ARG 65 HD2 ARG 65 -2.372 18.025 8.538 1090 HD3 ARG 65 HD3 ARG 65 -3.314 18.562 7.152 1091 HE ARG 65 HE ARG 65 -1.243 19.536 6.193 1092 HH11 ARG 65 HH11 ARG 65 -0.825 16.800 8.365 1093 HH12 ARG 65 HH12 ARG 65 0.863 16.655 7.939 1094 HH21 ARG 65 HH22 ARG 65 0.766 19.105 5.537 1095 HH22 ARG 65 HH21 ARG 65 1.714 17.869 6.316 1096 H PHE 66 H PHE 66 -1.209 21.010 12.443 1097 HA PHE 66 HA PHE 66 1.669 20.520 12.812 1098 HB2 PHE 66 HB2 PHE 66 -0.232 22.570 13.986 1099 HB3 PHE 66 HB3 PHE 66 1.459 22.478 14.420 1100 HD1 PHE 66 HD1 PHE 66 3.179 22.433 12.353 1101 HD2 PHE 66 HD2 PHE 66 -0.816 24.039 12.246 1102 HE1 PHE 66 HE1 PHE 66 3.816 23.894 10.447 1103 HE2 PHE 66 HE2 PHE 66 -0.164 25.545 10.387 1104 HZ PHE 66 HZ PHE 66 2.147 25.458 9.464 1105 H GLU 67 H GLU 67 -1.048 20.553 15.143 1106 HA GLU 67 HA GLU 67 0.716 19.446 17.268 1107 HB2 GLU 67 HB2 GLU 67 -1.789 21.170 17.302 1108 HB3 GLU 67 HB3 GLU 67 -1.240 20.284 18.722 1109 HG2 GLU 67 HG2 GLU 67 0.462 22.286 17.172 1110 HG3 GLU 67 HG3 GLU 67 -0.532 22.714 18.548 1111 H ASN 68 H ASN 68 -2.747 19.297 16.765 1112 HA ASN 68 HA ASN 68 -2.986 16.450 16.872 1113 HB2 ASN 68 HB2 ASN 68 -4.287 16.449 19.093 1114 HB3 ASN 68 HB3 ASN 68 -2.533 16.482 19.149 1115 HD21 ASN 68 HD21 ASN 68 -4.733 19.201 18.648 1116 HD22 ASN 68 HD22 ASN 68 -4.272 20.054 20.163 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 3.017 -4.988 -5.344 2 H2 GLY 1 H2 GLY 1 1.856 -4.221 -6.212 3 H3 GLY 1 H3 GLY 1 1.801 -5.847 -6.028 4 HA2 GLY 1 HA2 GLY 1 1.422 -5.640 -3.664 5 HA3 GLY 1 HA3 GLY 1 1.503 -3.879 -3.848 6 H SER 2 H SER 2 -0.707 -5.514 -2.826 7 HA SER 2 HA SER 2 -2.752 -5.581 -4.930 8 HB2 SER 2 HB2 SER 2 -2.921 -6.350 -1.999 9 HB3 SER 2 HB3 SER 2 -4.091 -6.750 -3.272 10 HG SER 2 HG SER 2 -2.622 -8.475 -2.869 11 H HIS 3 H HIS 3 -1.847 -3.161 -2.732 12 HA HIS 3 HA HIS 3 -4.585 -1.942 -2.683 13 HB2 HIS 3 HB2 HIS 3 -2.528 -1.954 -0.454 14 HB3 HIS 3 HB3 HIS 3 -4.129 -1.220 -0.378 15 HD1 HIS 3 HD1 HIS 3 -5.498 -4.029 -1.734 16 HD2 HIS 3 HD2 HIS 3 -3.035 -3.536 1.641 17 HE1 HIS 3 HE1 HIS 3 -5.967 -6.019 -0.210 18 H MET 4 H MET 4 -2.326 -1.376 -4.555 19 HA MET 4 HA MET 4 -0.729 0.777 -3.761 20 HB2 MET 4 HB2 MET 4 -1.714 0.213 -6.585 21 HB3 MET 4 HB3 MET 4 -0.315 1.189 -6.140 22 HG2 MET 4 HG2 MET 4 -0.690 -1.794 -5.786 23 HG3 MET 4 HG3 MET 4 0.434 -0.984 -6.861 24 HE1 MET 4 HE1 MET 4 1.772 1.277 -4.959 25 HE2 MET 4 HE2 MET 4 3.190 0.364 -4.405 26 HE3 MET 4 HE3 MET 4 2.656 0.230 -6.095 27 H ARG 5 H ARG 5 -1.218 2.714 -3.084 28 HA ARG 5 HA ARG 5 -3.844 3.782 -3.221 29 HB2 ARG 5 HB2 ARG 5 -1.671 4.090 -1.601 30 HB3 ARG 5 HB3 ARG 5 -1.585 5.592 -2.475 31 HG2 ARG 5 HG2 ARG 5 -3.948 6.089 -1.808 32 HG3 ARG 5 HG3 ARG 5 -4.054 4.624 -0.975 33 HD2 ARG 5 HD2 ARG 5 -3.621 6.661 0.454 34 HD3 ARG 5 HD3 ARG 5 -2.901 5.101 0.810 35 HE ARG 5 HE ARG 5 -1.201 6.948 -0.747 36 HH11 ARG 5 HH11 ARG 5 -2.065 5.925 2.501 37 HH12 ARG 5 HH12 ARG 5 -0.473 6.277 3.123 38 HH21 ARG 5 HH21 ARG 5 0.794 7.419 0.143 39 HH22 ARG 5 HH22 ARG 5 1.074 7.141 1.834 40 H MET 6 H MET 6 -4.662 5.699 -4.087 41 HA MET 6 HA MET 6 -3.113 6.847 -6.323 42 HB2 MET 6 HB2 MET 6 -6.115 6.530 -6.141 43 HB3 MET 6 HB3 MET 6 -5.233 7.136 -7.549 44 HG2 MET 6 HG2 MET 6 -5.023 4.329 -6.414 45 HG3 MET 6 HG3 MET 6 -5.972 4.803 -7.823 46 HE1 MET 6 HE1 MET 6 -4.891 2.874 -9.244 47 HE2 MET 6 HE2 MET 6 -3.138 2.622 -9.395 48 HE3 MET 6 HE3 MET 6 -3.935 2.390 -7.824 49 H SER 7 H SER 7 -3.714 7.805 -3.444 50 HA SER 7 HA SER 7 -4.158 9.556 -2.291 51 HB2 SER 7 HB2 SER 7 -2.761 11.007 -4.559 52 HB3 SER 7 HB3 SER 7 -3.057 11.681 -2.943 53 HG SER 7 HG SER 7 -1.450 9.454 -3.671 54 H LEU 8 H LEU 8 -4.828 11.606 -5.230 55 HA LEU 8 HA LEU 8 -7.667 11.720 -4.307 56 HB2 LEU 8 HB2 LEU 8 -6.189 14.274 -4.967 57 HB3 LEU 8 HB3 LEU 8 -7.791 14.063 -4.351 58 HG LEU 8 HG LEU 8 -5.455 13.133 -2.650 59 HD11 LEU 8 HD11 LEU 8 -4.974 15.458 -3.226 60 HD12 LEU 8 HD12 LEU 8 -5.432 15.256 -1.529 61 HD13 LEU 8 HD13 LEU 8 -6.607 15.930 -2.696 62 HD21 LEU 8 HD21 LEU 8 -8.268 14.166 -2.130 63 HD22 LEU 8 HD22 LEU 8 -7.125 13.593 -0.885 64 HD23 LEU 8 HD23 LEU 8 -7.776 12.460 -2.098 65 H ILE 9 H ILE 9 -8.359 10.511 -5.983 66 HA ILE 9 HA ILE 9 -7.778 11.120 -8.740 67 HB ILE 9 HB ILE 9 -10.118 9.467 -7.783 68 HG12 ILE 9 HG12 ILE 9 -7.236 8.493 -7.697 69 HG13 ILE 9 HG13 ILE 9 -8.246 8.750 -6.306 70 HG21 ILE 9 HG21 ILE 9 -9.720 9.834 -10.236 71 HG22 ILE 9 HG22 ILE 9 -8.138 9.048 -10.066 72 HG23 ILE 9 HG23 ILE 9 -9.640 8.142 -9.782 73 HD11 ILE 9 HD11 ILE 9 -9.877 7.085 -7.214 74 HD12 ILE 9 HD12 ILE 9 -8.630 6.615 -8.402 75 HD13 ILE 9 HD13 ILE 9 -8.326 6.443 -6.664 76 H GLY 10 H GLY 10 -10.327 11.970 -6.491 77 HA2 GLY 10 HA2 GLY 10 -11.757 13.858 -6.712 78 HA3 GLY 10 HA3 GLY 10 -11.649 13.778 -8.452 79 H GLU 11 H GLU 11 -12.234 10.616 -7.379 80 HA GLU 11 HA GLU 11 -15.027 11.036 -6.522 81 HB2 GLU 11 HB2 GLU 11 -14.510 8.780 -8.494 82 HB3 GLU 11 HB3 GLU 11 -16.010 9.272 -7.746 83 HG2 GLU 11 HG2 GLU 11 -15.946 11.444 -8.963 84 HG3 GLU 11 HG3 GLU 11 -14.471 10.925 -9.788 85 H ARG 12 H ARG 12 -12.572 8.523 -7.188 86 HA ARG 12 HA ARG 12 -11.748 6.793 -5.986 87 HB2 ARG 12 HB2 ARG 12 -12.235 8.157 -3.369 88 HB3 ARG 12 HB3 ARG 12 -11.034 7.009 -3.906 89 HG2 ARG 12 HG2 ARG 12 -9.657 8.735 -3.969 90 HG3 ARG 12 HG3 ARG 12 -10.327 8.962 -5.570 91 HD2 ARG 12 HD2 ARG 12 -10.361 11.110 -4.406 92 HD3 ARG 12 HD3 ARG 12 -12.024 10.578 -4.598 93 HE ARG 12 HE ARG 12 -10.413 10.610 -2.087 94 HH11 ARG 12 HH21 ARG 12 -13.688 10.285 -3.432 95 HH12 ARG 12 HH22 ARG 12 -14.354 10.929 -1.976 96 HH21 ARG 12 HH11 ARG 12 -11.488 11.016 -0.173 97 HH22 ARG 12 HH12 ARG 12 -13.227 11.006 -0.167 98 H PHE 13 H PHE 13 -14.336 6.512 -6.752 99 HA PHE 13 HA PHE 13 -16.040 5.684 -4.578 100 HB2 PHE 13 HB2 PHE 13 -16.330 6.345 -7.346 101 HB3 PHE 13 HB3 PHE 13 -16.863 4.705 -7.189 102 HD1 PHE 13 HD1 PHE 13 -16.994 7.878 -5.159 103 HD2 PHE 13 HD2 PHE 13 -19.208 4.538 -6.766 104 HE1 PHE 13 HE1 PHE 13 -19.082 8.747 -4.095 105 HE2 PHE 13 HE2 PHE 13 -21.293 5.415 -5.711 106 HZ PHE 13 HZ PHE 13 -21.224 7.511 -4.370 107 H THR 14 H THR 14 -17.079 3.431 -4.688 108 HA THR 14 HA THR 14 -15.637 1.606 -3.489 109 HB THR 14 HB THR 14 -17.966 1.367 -3.834 110 HG1 THR 14 HG1 THR 14 -18.071 -0.844 -4.160 111 HG21 THR 14 HG21 THR 14 -19.044 0.583 -5.833 112 HG22 THR 14 HG22 THR 14 -17.503 0.393 -6.681 113 HG23 THR 14 HG23 THR 14 -18.106 2.015 -6.272 114 H GLU 15 H GLU 15 -15.578 1.399 -7.124 115 HA GLU 15 HA GLU 15 -13.619 -0.762 -7.095 116 HB2 GLU 15 HB2 GLU 15 -14.724 1.076 -9.254 117 HB3 GLU 15 HB3 GLU 15 -13.520 -0.185 -9.580 118 HG2 GLU 15 HG2 GLU 15 -15.077 -1.899 -8.655 119 HG3 GLU 15 HG3 GLU 15 -16.302 -0.650 -8.428 120 H GLU 16 H GLU 16 -13.379 2.678 -7.204 121 HA GLU 16 HA GLU 16 -10.438 2.768 -7.644 122 HB2 GLU 16 HB2 GLU 16 -12.423 5.030 -7.280 123 HB3 GLU 16 HB3 GLU 16 -10.742 5.153 -7.805 124 HG2 GLU 16 HG2 GLU 16 -11.297 3.949 -9.877 125 HG3 GLU 16 HG3 GLU 16 -13.008 3.938 -9.398 126 H GLU 17 H GLU 17 -12.333 2.170 -5.036 127 HA GLU 17 HA GLU 17 -11.560 4.177 -3.202 128 HB2 GLU 17 HB2 GLU 17 -13.586 2.703 -3.105 129 HB3 GLU 17 HB3 GLU 17 -12.557 1.397 -2.492 130 HG2 GLU 17 HG2 GLU 17 -12.004 2.763 -0.497 131 HG3 GLU 17 HG3 GLU 17 -12.828 4.143 -1.217 132 H GLN 18 H GLN 18 -9.800 1.540 -4.148 133 HA GLN 18 HA GLN 18 -8.216 0.590 -2.246 134 HB2 GLN 18 HB2 GLN 18 -6.353 0.191 -3.493 135 HB3 GLN 18 HB3 GLN 18 -7.733 0.070 -4.557 136 HG2 GLN 18 HG2 GLN 18 -5.755 2.382 -4.358 137 HG3 GLN 18 HG3 GLN 18 -5.836 1.091 -5.594 138 HE21 GLN 18 HE22 GLN 18 -6.799 4.268 -4.929 139 HE22 GLN 18 HE21 GLN 18 -8.274 4.315 -5.903 140 H LYS 19 H LYS 19 -7.897 3.892 -3.290 141 HA LYS 19 HA LYS 19 -5.852 4.927 -1.669 142 HB2 LYS 19 HB2 LYS 19 -6.962 6.242 -3.336 143 HB3 LYS 19 HB3 LYS 19 -8.493 5.895 -2.662 144 HG2 LYS 19 HG2 LYS 19 -7.458 8.220 -2.432 145 HG3 LYS 19 HG3 LYS 19 -8.505 7.442 -1.220 146 HD2 LYS 19 HD2 LYS 19 -7.046 7.307 0.358 147 HD3 LYS 19 HD3 LYS 19 -5.662 7.087 -0.659 148 HE2 LYS 19 HE2 LYS 19 -5.725 9.238 0.772 149 HE3 LYS 19 HE3 LYS 19 -5.443 9.501 -0.933 150 HZ1 LYS 19 HZ1 LYS 19 -8.165 9.748 0.240 151 HZ2 LYS 19 HZ2 LYS 19 -7.622 10.210 -1.260 152 HZ3 LYS 19 HZ3 LYS 19 -7.135 11.010 0.065 153 H LEU 20 H LEU 20 -9.255 4.838 -0.771 154 HA LEU 20 HA LEU 20 -8.830 5.833 1.914 155 HB2 LEU 20 HB2 LEU 20 -11.309 4.657 0.548 156 HB3 LEU 20 HB3 LEU 20 -11.318 5.543 2.023 157 HG LEU 20 HG LEU 20 -12.114 7.080 0.648 158 HD11 LEU 20 HD11 LEU 20 -10.401 8.828 0.312 159 HD12 LEU 20 HD12 LEU 20 -9.127 7.676 0.764 160 HD13 LEU 20 HD13 LEU 20 -10.367 8.098 1.932 161 HD21 LEU 20 HD21 LEU 20 -12.050 6.141 -1.420 162 HD22 LEU 20 HD22 LEU 20 -10.313 5.939 -1.490 163 HD23 LEU 20 HD23 LEU 20 -11.003 7.564 -1.606 164 H LEU 21 H LEU 21 -9.428 2.887 0.354 165 HA LEU 21 HA LEU 21 -9.757 0.855 2.333 166 HB2 LEU 21 HB2 LEU 21 -10.204 0.442 0.045 167 HB3 LEU 21 HB3 LEU 21 -8.706 1.173 -0.426 168 HG LEU 21 HG LEU 21 -8.814 -1.132 -1.023 169 HD11 LEU 21 HD11 LEU 21 -6.533 -0.226 -0.584 170 HD12 LEU 21 HD12 LEU 21 -6.724 -1.966 -0.444 171 HD13 LEU 21 HD13 LEU 21 -6.593 -0.998 1.018 172 HD21 LEU 21 HD21 LEU 21 -10.121 -1.906 0.965 173 HD22 LEU 21 HD22 LEU 21 -8.627 -1.741 1.948 174 HD23 LEU 21 HD23 LEU 21 -8.702 -2.910 0.600 175 H LEU 22 H LEU 22 -6.701 2.325 0.837 176 HA LEU 22 HA LEU 22 -5.196 0.364 2.419 177 HB2 LEU 22 HB2 LEU 22 -4.229 1.155 0.319 178 HB3 LEU 22 HB3 LEU 22 -4.273 2.830 0.874 179 HG LEU 22 HG LEU 22 -2.612 2.307 2.648 180 HD11 LEU 22 HD11 LEU 22 -3.077 -0.089 3.028 181 HD12 LEU 22 HD12 LEU 22 -1.383 0.165 2.613 182 HD13 LEU 22 HD13 LEU 22 -2.504 -0.466 1.389 183 HD21 LEU 22 HD21 LEU 22 -0.664 1.976 1.210 184 HD22 LEU 22 HD22 LEU 22 -1.816 3.098 0.480 185 HD23 LEU 22 HD23 LEU 22 -1.714 1.427 -0.114 186 H ASN 23 H ASN 23 -5.992 3.738 2.561 187 HA ASN 23 HA ASN 23 -4.603 4.578 4.862 188 HB2 ASN 23 HB2 ASN 23 -7.026 5.471 3.237 189 HB3 ASN 23 HB3 ASN 23 -6.539 6.362 4.586 190 HD21 ASN 23 HD21 ASN 23 -6.487 7.439 2.129 191 HD22 ASN 23 HD22 ASN 23 -4.827 7.692 1.618 192 H ILE 24 H ILE 24 -7.864 3.108 4.698 193 HA ILE 24 HA ILE 24 -8.128 3.261 7.638 194 HB ILE 24 HB ILE 24 -10.106 1.957 7.466 195 HG12 ILE 24 HG12 ILE 24 -9.318 1.470 4.602 196 HG13 ILE 24 HG13 ILE 24 -9.599 0.307 5.860 197 HG21 ILE 24 HG21 ILE 24 -10.192 4.385 7.097 198 HG22 ILE 24 HG22 ILE 24 -10.146 4.128 5.349 199 HG23 ILE 24 HG23 ILE 24 -11.511 3.527 6.304 200 HD11 ILE 24 HD11 ILE 24 -11.460 0.243 4.336 201 HD12 ILE 24 HD12 ILE 24 -12.035 0.929 5.870 202 HD13 ILE 24 HD13 ILE 24 -11.720 1.989 4.470 203 H LEU 25 H LEU 25 -6.871 0.871 5.334 204 HA LEU 25 HA LEU 25 -6.845 -1.296 7.192 205 HB2 LEU 25 HB2 LEU 25 -6.954 -1.544 4.825 206 HB3 LEU 25 HB3 LEU 25 -5.391 -0.786 4.574 207 HG LEU 25 HG LEU 25 -5.540 -3.287 6.272 208 HD11 LEU 25 HD11 LEU 25 -5.297 -4.649 4.208 209 HD12 LEU 25 HD12 LEU 25 -5.588 -3.195 3.226 210 HD13 LEU 25 HD13 LEU 25 -6.864 -3.830 4.284 211 HD21 LEU 25 HD21 LEU 25 -3.331 -3.719 5.252 212 HD22 LEU 25 HD22 LEU 25 -3.332 -2.116 5.990 213 HD23 LEU 25 HD23 LEU 25 -3.492 -2.275 4.233 214 H ILE 26 H ILE 26 -4.467 1.239 6.479 215 HA ILE 26 HA ILE 26 -2.416 0.092 8.223 216 HB ILE 26 HB ILE 26 -1.070 1.997 7.685 217 HG12 ILE 26 HG12 ILE 26 -3.395 3.175 6.123 218 HG13 ILE 26 HG13 ILE 26 -2.934 3.715 7.728 219 HG21 ILE 26 HG21 ILE 26 -2.454 0.934 5.202 220 HG22 ILE 26 HG22 ILE 26 -0.821 1.622 5.302 221 HG23 ILE 26 HG23 ILE 26 -1.193 0.107 6.129 222 HD11 ILE 26 HD11 ILE 26 -0.663 4.286 6.889 223 HD12 ILE 26 HD12 ILE 26 -1.203 3.883 5.237 224 HD13 ILE 26 HD13 ILE 26 -1.969 5.214 6.120 225 H ASN 27 H ASN 27 -1.313 2.099 9.565 226 HA ASN 27 HA ASN 27 -2.637 1.862 12.038 227 HB2 ASN 27 HB2 ASN 27 -0.759 3.215 12.876 228 HB3 ASN 27 HB3 ASN 27 -0.214 1.935 11.800 229 HD21 ASN 27 HD21 ASN 27 0.923 2.550 9.860 230 HD22 ASN 27 HD22 ASN 27 1.238 4.237 9.503 231 H HIS 28 H HIS 28 -2.817 4.586 9.782 232 HA HIS 28 HA HIS 28 -4.868 5.829 11.491 233 HB2 HIS 28 HB2 HIS 28 -2.712 6.858 12.204 234 HB3 HIS 28 HB3 HIS 28 -2.421 7.371 10.539 235 HD1 HIS 28 HD1 HIS 28 -3.312 9.790 10.025 236 HD2 HIS 28 HD2 HIS 28 -5.213 7.864 13.264 237 HE1 HIS 28 HE1 HIS 28 -5.027 11.438 10.943 238 H GLU 29 H GLU 29 -6.274 7.216 10.441 239 HA GLU 29 HA GLU 29 -6.897 6.426 7.744 240 HB2 GLU 29 HB2 GLU 29 -8.261 8.358 9.649 241 HB3 GLU 29 HB3 GLU 29 -8.926 7.786 8.108 242 HG2 GLU 29 HG2 GLU 29 -8.872 5.457 8.909 243 HG3 GLU 29 HG3 GLU 29 -8.191 5.977 10.450 244 H TYR 30 H TYR 30 -4.916 7.264 6.844 245 HA TYR 30 HA TYR 30 -3.987 9.805 6.823 246 HB2 TYR 30 HB2 TYR 30 -2.843 7.768 6.098 247 HB3 TYR 30 HB3 TYR 30 -3.884 7.691 4.677 248 HD1 TYR 30 HD2 TYR 30 -1.629 10.204 6.376 249 HD2 TYR 30 HD1 TYR 30 -2.896 8.402 2.676 250 HE1 TYR 30 HE2 TYR 30 -0.023 11.629 5.141 251 HE2 TYR 30 HE1 TYR 30 -1.256 9.776 1.436 252 HH TYR 30 HH TYR 30 0.938 12.095 3.098 253 H ALA 31 H ALA 31 -6.441 8.722 4.391 254 HA ALA 31 HA ALA 31 -6.674 10.778 2.707 255 HB1 ALA 31 HB1 ALA 31 -8.143 8.866 2.763 256 HB2 ALA 31 HB2 ALA 31 -8.899 9.444 4.281 257 HB3 ALA 31 HB3 ALA 31 -9.118 10.366 2.788 258 H ILE 32 H ILE 32 -7.987 10.893 6.081 259 HA ILE 32 HA ILE 32 -8.982 13.485 5.975 260 HB ILE 32 HB ILE 32 -7.995 11.728 8.230 261 HG12 ILE 32 HG12 ILE 32 -10.374 11.574 8.860 262 HG13 ILE 32 HG13 ILE 32 -10.823 12.599 7.496 263 HG21 ILE 32 HG21 ILE 32 -9.065 13.187 9.829 264 HG22 ILE 32 HG22 ILE 32 -7.770 14.043 9.036 265 HG23 ILE 32 HG23 ILE 32 -9.436 14.359 8.513 266 HD11 ILE 32 HD11 ILE 32 -11.148 10.056 7.289 267 HD12 ILE 32 HD12 ILE 32 -10.313 10.854 5.939 268 HD13 ILE 32 HD13 ILE 32 -9.396 9.936 7.168 269 H GLU 33 H GLU 33 -5.767 12.399 7.033 270 HA GLU 33 HA GLU 33 -4.585 14.930 7.611 271 HB2 GLU 33 HB2 GLU 33 -3.262 12.506 6.374 272 HB3 GLU 33 HB3 GLU 33 -2.423 13.938 6.959 273 HG2 GLU 33 HG2 GLU 33 -3.315 13.571 9.230 274 HG3 GLU 33 HG3 GLU 33 -4.213 12.159 8.668 275 H LEU 34 H LEU 34 -5.124 13.338 4.485 276 HA LEU 34 HA LEU 34 -3.986 15.453 2.925 277 HB2 LEU 34 HB2 LEU 34 -6.234 13.642 1.933 278 HB3 LEU 34 HB3 LEU 34 -5.099 14.584 1.008 279 HG LEU 34 HG LEU 34 -4.762 11.918 2.327 280 HD11 LEU 34 HD11 LEU 34 -3.772 13.051 -0.317 281 HD12 LEU 34 HD12 LEU 34 -5.316 12.212 -0.105 282 HD13 LEU 34 HD13 LEU 34 -3.791 11.347 0.176 283 HD21 LEU 34 HD21 LEU 34 -2.518 13.886 1.872 284 HD22 LEU 34 HD22 LEU 34 -2.288 12.132 1.782 285 HD23 LEU 34 HD23 LEU 34 -2.867 12.828 3.293 286 H LEU 35 H LEU 35 -7.397 14.888 4.009 287 HA LEU 35 HA LEU 35 -8.609 17.035 2.665 288 HB2 LEU 35 HB2 LEU 35 -9.881 15.398 4.016 289 HB3 LEU 35 HB3 LEU 35 -9.125 15.946 5.478 290 HG LEU 35 HG LEU 35 -10.218 18.081 5.429 291 HD11 LEU 35 HD11 LEU 35 -11.827 17.208 3.015 292 HD12 LEU 35 HD12 LEU 35 -10.473 18.347 2.923 293 HD13 LEU 35 HD13 LEU 35 -11.899 18.738 3.886 294 HD21 LEU 35 HD21 LEU 35 -12.505 17.316 5.832 295 HD22 LEU 35 HD22 LEU 35 -11.328 16.185 6.520 296 HD23 LEU 35 HD23 LEU 35 -12.165 15.786 5.003 297 H SER 36 H SER 36 -7.262 17.214 6.039 298 HA SER 36 HA SER 36 -7.702 20.008 6.234 299 HB2 SER 36 HB2 SER 36 -7.328 18.330 8.075 300 HB3 SER 36 HB3 SER 36 -5.591 18.469 7.737 301 HG SER 36 HG SER 36 -7.023 20.024 9.260 302 H SER 37 H SER 37 -4.814 18.190 5.138 303 HA SER 37 HA SER 37 -3.080 20.418 4.906 304 HB2 SER 37 HB2 SER 37 -2.387 18.032 4.732 305 HB3 SER 37 HB3 SER 37 -3.172 17.924 3.153 306 HG SER 37 HG SER 37 -0.926 19.517 3.910 307 H GLU 38 H GLU 38 -5.325 18.902 2.652 308 HA GLU 38 HA GLU 38 -4.863 20.437 0.288 309 HB2 GLU 38 HB2 GLU 38 -7.086 18.625 1.278 310 HB3 GLU 38 HB3 GLU 38 -7.389 19.544 -0.134 311 HG2 GLU 38 HG2 GLU 38 -5.007 17.668 0.184 312 HG3 GLU 38 HG3 GLU 38 -6.538 17.254 -0.584 313 H ILE 39 H ILE 39 -7.486 20.746 2.719 314 HA ILE 39 HA ILE 39 -8.772 22.917 1.367 315 HB ILE 39 HB ILE 39 -9.886 23.360 3.518 316 HG12 ILE 39 HG12 ILE 39 -9.489 21.099 5.072 317 HG13 ILE 39 HG13 ILE 39 -7.856 21.524 4.594 318 HG21 ILE 39 HG21 ILE 39 -11.135 21.173 3.452 319 HG22 ILE 39 HG22 ILE 39 -10.790 21.830 1.843 320 HG23 ILE 39 HG23 ILE 39 -9.809 20.499 2.490 321 HD11 ILE 39 HD11 ILE 39 -8.467 22.577 6.735 322 HD12 ILE 39 HD12 ILE 39 -8.239 23.844 5.514 323 HD13 ILE 39 HD13 ILE 39 -9.877 23.346 5.978 324 H ASN 40 H ASN 40 -6.352 22.862 4.038 325 HA ASN 40 HA ASN 40 -6.251 25.756 4.004 326 HB2 ASN 40 HB2 ASN 40 -4.722 25.737 5.606 327 HB3 ASN 40 HB3 ASN 40 -5.479 24.170 5.884 328 HD21 ASN 40 HD21 ASN 40 -4.195 22.330 5.601 329 HD22 ASN 40 HD22 ASN 40 -2.464 22.430 5.285 330 H ASP 41 H ASP 41 -4.555 23.441 1.954 331 HA ASP 41 HA ASP 41 -2.584 25.370 1.020 332 HB2 ASP 41 HB2 ASP 41 -2.437 22.819 0.933 333 HB3 ASP 41 HB3 ASP 41 -3.510 22.895 -0.466 334 H ILE 42 H ILE 42 -5.918 24.683 0.221 335 HA ILE 42 HA ILE 42 -5.870 26.466 -2.167 336 HB ILE 42 HB ILE 42 -8.034 24.813 -0.840 337 HG12 ILE 42 HG12 ILE 42 -8.225 23.960 -3.224 338 HG13 ILE 42 HG13 ILE 42 -6.836 24.941 -3.655 339 HG21 ILE 42 HG21 ILE 42 -8.418 26.897 -3.039 340 HG22 ILE 42 HG22 ILE 42 -9.610 25.665 -2.575 341 HG23 ILE 42 HG23 ILE 42 -9.162 26.913 -1.421 342 HD11 ILE 42 HD11 ILE 42 -5.483 23.560 -1.956 343 HD12 ILE 42 HD12 ILE 42 -6.953 22.577 -1.760 344 HD13 ILE 42 HD13 ILE 42 -6.105 22.650 -3.310 345 H GLU 43 H GLU 43 -7.196 26.518 1.120 346 HA GLU 43 HA GLU 43 -8.432 29.057 0.952 347 HB2 GLU 43 HB2 GLU 43 -8.722 27.217 2.689 348 HB3 GLU 43 HB3 GLU 43 -7.276 27.788 3.475 349 HG2 GLU 43 HG2 GLU 43 -9.309 28.651 4.564 350 HG3 GLU 43 HG3 GLU 43 -8.283 29.942 3.958 351 H THR 44 H THR 44 -5.267 28.253 2.315 352 HA THR 44 HA THR 44 -4.497 31.159 2.269 353 HB THR 44 HB THR 44 -4.891 30.457 4.538 354 HG1 THR 44 HG1 THR 44 -3.253 31.926 4.241 355 HG21 THR 44 HG21 THR 44 -2.789 28.315 4.050 356 HG22 THR 44 HG22 THR 44 -4.483 28.099 4.553 357 HG23 THR 44 HG23 THR 44 -3.331 28.852 5.657 358 H GLY 45 H GLY 45 -3.264 27.823 1.693 359 HA2 GLY 45 HA2 GLY 45 -0.718 28.657 0.699 360 HA3 GLY 45 HA3 GLY 45 -1.572 27.184 0.243 361 H THR 46 H THR 46 -3.860 28.906 -0.779 362 HA THR 46 HA THR 46 -4.659 29.735 -2.676 363 HB THR 46 HB THR 46 -2.167 31.361 -3.155 364 HG1 THR 46 HG1 THR 46 -2.933 32.798 -1.633 365 HG21 THR 46 HG21 THR 46 -4.106 31.630 -4.731 366 HG22 THR 46 HG22 THR 46 -3.853 33.082 -3.756 367 HG23 THR 46 HG23 THR 46 -5.164 31.952 -3.344 368 H LYS 47 H LYS 47 -3.690 27.253 -3.023 369 HA LYS 47 HA LYS 47 -2.580 26.860 -5.679 370 HB2 LYS 47 HB2 LYS 47 -4.649 25.275 -4.094 371 HB3 LYS 47 HB3 LYS 47 -3.985 24.757 -5.625 372 HG2 LYS 47 HG2 LYS 47 -2.506 25.072 -2.999 373 HG3 LYS 47 HG3 LYS 47 -2.908 23.577 -3.817 374 HD2 LYS 47 HD2 LYS 47 -0.894 25.670 -4.742 375 HD3 LYS 47 HD3 LYS 47 -0.538 24.103 -4.022 376 HE2 LYS 47 HE2 LYS 47 -1.642 22.954 -5.936 377 HE3 LYS 47 HE3 LYS 47 -1.947 24.521 -6.696 378 HZ1 LYS 47 HZ1 LYS 47 0.080 23.499 -7.561 379 HZ2 LYS 47 HZ2 LYS 47 0.745 23.422 -6.074 380 HZ3 LYS 47 HZ3 LYS 47 0.472 24.874 -6.773 381 H ASN 48 H ASN 48 -3.608 26.782 -7.705 382 HA ASN 48 HA ASN 48 -6.359 27.852 -7.941 383 HB2 ASN 48 HB2 ASN 48 -4.912 29.839 -7.783 384 HB3 ASN 48 HB3 ASN 48 -3.876 29.216 -9.068 385 HD21 ASN 48 HD21 ASN 48 -4.317 30.123 -11.057 386 HD22 ASN 48 HD22 ASN 48 -5.904 30.702 -11.543 387 H VAL 49 H VAL 49 -7.411 26.745 -9.386 388 HA VAL 49 HA VAL 49 -6.518 26.028 -12.019 389 HB VAL 49 HB VAL 49 -5.345 24.241 -10.916 390 HG11 VAL 49 HG11 VAL 49 -6.416 22.537 -9.516 391 HG12 VAL 49 HG12 VAL 49 -6.477 24.133 -8.763 392 HG13 VAL 49 HG13 VAL 49 -7.930 23.473 -9.549 393 HG21 VAL 49 HG21 VAL 49 -6.560 23.574 -13.007 394 HG22 VAL 49 HG22 VAL 49 -6.193 22.247 -11.888 395 HG23 VAL 49 HG23 VAL 49 -7.837 22.875 -11.974 396 H ASP 50 H ASP 50 -8.313 24.718 -13.081 397 HA ASP 50 HA ASP 50 -11.026 25.582 -12.662 398 HB2 ASP 50 HB2 ASP 50 -9.974 23.097 -14.054 399 HB3 ASP 50 HB3 ASP 50 -11.512 23.892 -14.338 400 H GLY 51 H GLY 51 -12.671 23.432 -12.642 401 HA2 GLY 51 HA2 GLY 51 -13.165 22.812 -10.043 402 HA3 GLY 51 HA3 GLY 51 -13.727 21.829 -11.373 403 H THR 52 H THR 52 -10.504 21.357 -11.625 404 HA THR 52 HA THR 52 -10.335 18.746 -10.579 405 HB THR 52 HB THR 52 -8.177 20.869 -10.906 406 HG1 THR 52 HG1 THR 52 -7.875 19.809 -12.892 407 HG21 THR 52 HG21 THR 52 -7.975 17.839 -10.699 408 HG22 THR 52 HG22 THR 52 -7.348 19.024 -9.527 409 HG23 THR 52 HG23 THR 52 -6.639 18.945 -11.146 410 H THR 53 H THR 53 -8.872 21.712 -8.942 411 HA THR 53 HA THR 53 -8.402 20.229 -6.587 412 HB THR 53 HB THR 53 -7.221 22.294 -7.301 413 HG1 THR 53 HG1 THR 53 -6.934 21.500 -5.277 414 HG21 THR 53 HG21 THR 53 -8.003 24.480 -6.690 415 HG22 THR 53 HG22 THR 53 -9.469 23.838 -5.935 416 HG23 THR 53 HG23 THR 53 -9.274 23.767 -7.701 417 H TYR 54 H TYR 54 -11.144 22.277 -7.433 418 HA TYR 54 HA TYR 54 -12.653 22.296 -5.042 419 HB2 TYR 54 HB2 TYR 54 -13.539 21.954 -7.949 420 HB3 TYR 54 HB3 TYR 54 -14.630 22.211 -6.615 421 HD1 TYR 54 HD2 TYR 54 -11.827 23.832 -8.524 422 HD2 TYR 54 HD1 TYR 54 -15.027 24.376 -5.678 423 HE1 TYR 54 HE2 TYR 54 -11.558 26.295 -8.699 424 HE2 TYR 54 HE1 TYR 54 -14.753 26.843 -5.851 425 HH TYR 54 HH TYR 54 -13.605 28.572 -6.828 426 H LYS 55 H LYS 55 -12.863 19.927 -7.767 427 HA LYS 55 HA LYS 55 -14.498 18.154 -6.509 428 HB2 LYS 55 HB2 LYS 55 -14.146 18.365 -8.913 429 HB3 LYS 55 HB3 LYS 55 -12.533 17.761 -8.780 430 HG2 LYS 55 HG2 LYS 55 -13.995 15.815 -9.314 431 HG3 LYS 55 HG3 LYS 55 -13.679 15.644 -7.622 432 HD2 LYS 55 HD2 LYS 55 -15.906 17.492 -7.952 433 HD3 LYS 55 HD3 LYS 55 -16.216 16.047 -8.945 434 HE2 LYS 55 HE2 LYS 55 -15.753 14.597 -6.951 435 HE3 LYS 55 HE3 LYS 55 -15.541 16.046 -5.965 436 HZ1 LYS 55 HZ1 LYS 55 -18.046 15.195 -7.316 437 HZ2 LYS 55 HZ2 LYS 55 -17.884 16.626 -6.540 438 HZ3 LYS 55 HZ3 LYS 55 -17.769 15.226 -5.700 439 H LYS 56 H LYS 56 -10.898 17.944 -6.594 440 HA LYS 56 HA LYS 56 -10.555 15.633 -4.953 441 HB2 LYS 56 HB2 LYS 56 -8.896 18.077 -5.378 442 HB3 LYS 56 HB3 LYS 56 -8.506 16.930 -4.084 443 HG2 LYS 56 HG2 LYS 56 -7.314 16.026 -5.805 444 HG3 LYS 56 HG3 LYS 56 -8.820 15.122 -6.008 445 HD2 LYS 56 HD2 LYS 56 -9.533 16.614 -7.780 446 HD3 LYS 56 HD3 LYS 56 -8.042 17.585 -7.633 447 HE2 LYS 56 HE2 LYS 56 -8.083 14.597 -8.023 448 HE3 LYS 56 HE3 LYS 56 -8.197 15.694 -9.418 449 HZ1 LYS 56 HZ1 LYS 56 -5.921 15.534 -7.508 450 HZ2 LYS 56 HZ2 LYS 56 -6.009 16.604 -8.752 451 HZ3 LYS 56 HZ3 LYS 56 -5.910 14.996 -9.036 452 H LEU 57 H LEU 57 -11.021 19.005 -3.705 453 HA LEU 57 HA LEU 57 -11.024 17.859 -1.016 454 HB2 LEU 57 HB2 LEU 57 -10.836 19.851 -0.161 455 HB3 LEU 57 HB3 LEU 57 -9.796 19.852 -1.566 456 HG LEU 57 HG LEU 57 -11.710 21.152 -2.783 457 HD11 LEU 57 HD11 LEU 57 -12.969 22.685 -1.227 458 HD12 LEU 57 HD12 LEU 57 -12.502 21.634 0.123 459 HD13 LEU 57 HD13 LEU 57 -13.541 21.028 -1.185 460 HD21 LEU 57 HD21 LEU 57 -9.528 22.100 -2.174 461 HD22 LEU 57 HD22 LEU 57 -10.121 22.455 -0.536 462 HD23 LEU 57 HD23 LEU 57 -10.816 23.288 -1.946 463 H VAL 58 H VAL 58 -13.595 18.730 -3.211 464 HA VAL 58 HA VAL 58 -15.556 18.393 -1.042 465 HB VAL 58 HB VAL 58 -15.772 20.015 -2.977 466 HG11 VAL 58 HG11 VAL 58 -16.669 19.312 -5.045 467 HG12 VAL 58 HG12 VAL 58 -15.310 18.230 -4.711 468 HG13 VAL 58 HG13 VAL 58 -16.960 17.648 -4.458 469 HG21 VAL 58 HG21 VAL 58 -17.597 19.551 -1.395 470 HG22 VAL 58 HG22 VAL 58 -18.194 19.852 -3.036 471 HG23 VAL 58 HG23 VAL 58 -18.117 18.187 -2.425 472 H THR 59 H THR 59 -13.980 16.331 -3.411 473 HA THR 59 HA THR 59 -15.877 14.143 -3.136 474 HB THR 59 HB THR 59 -14.246 14.361 -5.038 475 HG1 THR 59 HG1 THR 59 -15.435 12.520 -4.720 476 HG21 THR 59 HG21 THR 59 -12.259 13.538 -2.910 477 HG22 THR 59 HG22 THR 59 -12.162 14.641 -4.248 478 HG23 THR 59 HG23 THR 59 -12.119 12.925 -4.580 479 H LEU 60 H LEU 60 -12.996 15.198 -1.439 480 HA LEU 60 HA LEU 60 -12.643 13.215 0.501 481 HB2 LEU 60 HB2 LEU 60 -12.448 16.157 0.598 482 HB3 LEU 60 HB3 LEU 60 -12.764 15.398 2.149 483 HG LEU 60 HG LEU 60 -10.423 15.736 1.804 484 HD11 LEU 60 HD11 LEU 60 -11.194 13.734 3.137 485 HD12 LEU 60 HD12 LEU 60 -9.562 13.659 2.477 486 HD13 LEU 60 HD13 LEU 60 -10.866 12.735 1.703 487 HD21 LEU 60 HD21 LEU 60 -9.140 14.434 0.169 488 HD22 LEU 60 HD22 LEU 60 -10.219 15.644 -0.536 489 HD23 LEU 60 HD23 LEU 60 -10.679 13.931 -0.597 490 H TYR 61 H TYR 61 -15.186 15.722 0.726 491 HA TYR 61 HA TYR 61 -16.498 14.274 2.909 492 HB2 TYR 61 HB2 TYR 61 -17.654 16.084 3.352 493 HB3 TYR 61 HB3 TYR 61 -16.717 16.886 2.091 494 HD1 TYR 61 HD2 TYR 61 -19.994 15.368 2.977 495 HD2 TYR 61 HD1 TYR 61 -17.791 17.499 -0.033 496 HE1 TYR 61 HE2 TYR 61 -22.116 15.981 1.883 497 HE2 TYR 61 HE1 TYR 61 -19.933 18.085 -1.158 498 HH TYR 61 HH TYR 61 -22.217 17.889 -1.146 499 H ASP 62 H ASP 62 -17.008 14.362 -0.568 500 HA ASP 62 HA ASP 62 -19.414 12.868 -0.697 501 HB2 ASP 62 HB2 ASP 62 -17.203 12.610 -2.729 502 HB3 ASP 62 HB3 ASP 62 -18.854 12.095 -2.914 503 H ARG 63 H ARG 63 -16.223 11.619 0.247 504 HA ARG 63 HA ARG 63 -17.864 9.169 0.874 505 HB2 ARG 63 HB2 ARG 63 -15.091 9.129 -0.285 506 HB3 ARG 63 HB3 ARG 63 -15.632 7.810 0.754 507 HG2 ARG 63 HG2 ARG 63 -17.817 7.830 -0.727 508 HG3 ARG 63 HG3 ARG 63 -16.783 8.593 -1.903 509 HD2 ARG 63 HD2 ARG 63 -15.266 6.644 -1.818 510 HD3 ARG 63 HD3 ARG 63 -16.218 5.950 -0.502 511 HE ARG 63 HE ARG 63 -17.569 6.554 -3.086 512 HH11 ARG 63 HH11 ARG 63 -16.597 3.936 -0.904 513 HH12 ARG 63 HH12 ARG 63 -18.116 3.111 -1.189 514 HH21 ARG 63 HH21 ARG 63 -19.244 5.231 -3.614 515 HH22 ARG 63 HH22 ARG 63 -19.453 3.734 -2.754 516 H PHE 64 H PHE 64 -15.485 11.291 2.286 517 HA PHE 64 HA PHE 64 -15.169 9.769 4.694 518 HB2 PHE 64 HB2 PHE 64 -13.675 11.569 4.235 519 HB3 PHE 64 HB3 PHE 64 -15.018 12.710 4.079 520 HD1 PHE 64 HD2 PHE 64 -13.158 10.591 6.552 521 HD2 PHE 64 HD1 PHE 64 -15.934 13.797 5.965 522 HE1 PHE 64 HE2 PHE 64 -13.058 11.120 8.989 523 HE2 PHE 64 HE1 PHE 64 -15.918 14.298 8.399 524 HZ PHE 64 HZ PHE 64 -14.507 12.911 9.925 525 H ARG 65 H ARG 65 -17.698 12.285 3.874 526 HA ARG 65 HA ARG 65 -18.903 12.204 6.528 527 HB2 ARG 65 HB2 ARG 65 -19.435 13.456 3.820 528 HB3 ARG 65 HB3 ARG 65 -20.695 13.499 4.965 529 HG2 ARG 65 HG2 ARG 65 -17.937 14.413 5.650 530 HG3 ARG 65 HG3 ARG 65 -19.092 15.532 4.923 531 HD2 ARG 65 HD2 ARG 65 -19.719 13.991 7.421 532 HD3 ARG 65 HD3 ARG 65 -18.973 15.606 7.465 533 HE ARG 65 HE ARG 65 -21.264 15.800 5.827 534 HH11 ARG 65 HH11 ARG 65 -20.657 15.094 9.212 535 HH12 ARG 65 HH12 ARG 65 -22.231 15.673 9.698 536 HH21 ARG 65 HH21 ARG 65 -23.250 16.534 6.524 537 HH22 ARG 65 HH22 ARG 65 -23.647 16.468 8.213 538 H PHE 66 H PHE 66 -19.558 10.881 3.473 539 HA PHE 66 HA PHE 66 -22.050 9.519 4.248 540 HB2 PHE 66 HB2 PHE 66 -20.530 9.600 1.625 541 HB3 PHE 66 HB3 PHE 66 -22.059 8.781 1.855 542 HD1 PHE 66 HD2 PHE 66 -24.049 10.249 2.839 543 HD2 PHE 66 HD1 PHE 66 -20.540 11.837 0.913 544 HE1 PHE 66 HE2 PHE 66 -25.283 12.342 2.310 545 HE2 PHE 66 HE1 PHE 66 -21.783 13.903 0.337 546 HZ PHE 66 HZ PHE 66 -24.154 14.170 1.051 547 H GLU 67 H GLU 67 -19.019 8.198 2.824 548 HA GLU 67 HA GLU 67 -20.180 5.497 3.089 549 HB2 GLU 67 HB2 GLU 67 -18.103 6.813 1.302 550 HB3 GLU 67 HB3 GLU 67 -18.191 5.068 1.432 551 HG2 GLU 67 HG2 GLU 67 -20.568 6.835 0.713 552 HG3 GLU 67 HG3 GLU 67 -19.492 6.140 -0.478 553 H ASN 68 H ASN 68 -17.255 7.116 4.051 554 HA ASN 68 HA ASN 68 -16.337 4.706 5.540 555 HB2 ASN 68 HB2 ASN 68 -14.581 6.671 4.023 556 HB3 ASN 68 HB3 ASN 68 -14.001 5.344 5.018 557 HD21 ASN 68 HD21 ASN 68 -14.935 6.227 1.871 558 HD22 ASN 68 HD22 ASN 68 -14.997 4.593 1.195 559 H1 GLY 1 H1 GLY 1 -14.904 10.473 34.791 560 H2 GLY 1 H2 GLY 1 -14.918 12.043 34.326 561 H3 GLY 1 H3 GLY 1 -13.954 10.968 33.551 562 HA2 GLY 1 HA2 GLY 1 -15.863 9.762 32.709 563 HA3 GLY 1 HA3 GLY 1 -16.904 10.935 33.534 564 H SER 2 H SER 2 -17.779 12.307 32.088 565 HA SER 2 HA SER 2 -16.541 12.964 29.532 566 HB2 SER 2 HB2 SER 2 -18.585 14.326 29.223 567 HB3 SER 2 HB3 SER 2 -18.929 12.650 29.673 568 HG SER 2 HG SER 2 -20.198 14.150 30.872 569 H HIS 3 H HIS 3 -16.546 15.308 28.818 570 HA HIS 3 HA HIS 3 -15.643 17.239 30.859 571 HB2 HIS 3 HB2 HIS 3 -13.642 15.929 29.918 572 HB3 HIS 3 HB3 HIS 3 -13.952 16.725 28.369 573 HD1 HIS 3 HD1 HIS 3 -13.174 17.746 32.052 574 HD2 HIS 3 HD2 HIS 3 -12.938 19.099 28.077 575 HE1 HIS 3 HE1 HIS 3 -11.954 19.985 32.135 576 H MET 4 H MET 4 -15.369 19.459 29.893 577 HA MET 4 HA MET 4 -17.711 20.202 28.374 578 HB2 MET 4 HB2 MET 4 -15.798 21.502 30.061 579 HB3 MET 4 HB3 MET 4 -15.694 22.310 28.504 580 HG2 MET 4 HG2 MET 4 -18.229 21.854 30.123 581 HG3 MET 4 HG3 MET 4 -17.322 23.361 30.015 582 HE1 MET 4 HE1 MET 4 -19.468 24.736 29.430 583 HE2 MET 4 HE2 MET 4 -20.616 24.286 28.150 584 HE3 MET 4 HE3 MET 4 -20.432 23.247 29.581 585 H ARG 5 H ARG 5 -17.819 21.249 26.335 586 HA ARG 5 HA ARG 5 -15.474 21.101 24.523 587 HB2 ARG 5 HB2 ARG 5 -17.268 19.104 24.351 588 HB3 ARG 5 HB3 ARG 5 -18.144 20.265 23.389 589 HG2 ARG 5 HG2 ARG 5 -15.966 20.566 22.043 590 HG3 ARG 5 HG3 ARG 5 -15.348 19.171 22.864 591 HD2 ARG 5 HD2 ARG 5 -16.090 18.414 20.813 592 HD3 ARG 5 HD3 ARG 5 -17.141 17.757 22.044 593 HE ARG 5 HE ARG 5 -17.966 20.220 20.510 594 HH11 ARG 5 HH21 ARG 5 -18.714 16.880 21.272 595 HH12 ARG 5 HH22 ARG 5 -20.337 17.033 20.661 596 HH21 ARG 5 HH11 ARG 5 -19.954 20.330 19.719 597 HH22 ARG 5 HH12 ARG 5 -21.036 18.961 19.814 598 H MET 6 H MET 6 -15.432 22.720 22.982 599 HA MET 6 HA MET 6 -17.687 24.617 23.061 600 HB2 MET 6 HB2 MET 6 -14.757 25.233 22.603 601 HB3 MET 6 HB3 MET 6 -16.042 26.438 22.738 602 HG2 MET 6 HG2 MET 6 -15.167 24.551 24.954 603 HG3 MET 6 HG3 MET 6 -14.714 26.248 24.811 604 HE1 MET 6 HE1 MET 6 -16.007 24.752 27.381 605 HE2 MET 6 HE2 MET 6 -15.458 26.446 27.387 606 HE3 MET 6 HE3 MET 6 -17.089 26.034 27.965 607 H SER 7 H SER 7 -16.901 22.434 21.057 608 HA SER 7 HA SER 7 -16.774 21.996 18.926 609 HB2 SER 7 HB2 SER 7 -18.924 24.110 18.769 610 HB3 SER 7 HB3 SER 7 -18.553 22.955 17.472 611 HG SER 7 HG SER 7 -20.248 22.371 19.048 612 H LEU 8 H LEU 8 -17.300 25.442 17.961 613 HA LEU 8 HA LEU 8 -14.483 25.420 16.949 614 HB2 LEU 8 HB2 LEU 8 -16.691 26.497 15.198 615 HB3 LEU 8 HB3 LEU 8 -15.035 26.167 14.828 616 HG LEU 8 HG LEU 8 -16.831 23.827 15.526 617 HD11 LEU 8 HD11 LEU 8 -17.317 23.526 13.180 618 HD12 LEU 8 HD12 LEU 8 -16.530 25.077 12.782 619 HD13 LEU 8 HD13 LEU 8 -18.012 25.041 13.769 620 HD21 LEU 8 HD21 LEU 8 -14.393 24.264 13.765 621 HD22 LEU 8 HD22 LEU 8 -15.191 22.699 14.053 622 HD23 LEU 8 HD23 LEU 8 -14.373 23.543 15.393 623 H ILE 9 H ILE 9 -13.821 26.778 18.641 624 HA ILE 9 HA ILE 9 -14.994 29.359 19.072 625 HB ILE 9 HB ILE 9 -12.108 28.726 19.697 626 HG12 ILE 9 HG12 ILE 9 -14.444 27.475 21.175 627 HG13 ILE 9 HG13 ILE 9 -13.240 26.624 20.298 628 HG21 ILE 9 HG21 ILE 9 -13.128 30.946 20.263 629 HG22 ILE 9 HG22 ILE 9 -14.284 30.106 21.318 630 HG23 ILE 9 HG23 ILE 9 -12.544 30.077 21.675 631 HD11 ILE 9 HD11 ILE 9 -12.805 28.107 22.884 632 HD12 ILE 9 HD12 ILE 9 -12.643 26.375 22.539 633 HD13 ILE 9 HD13 ILE 9 -11.480 27.518 21.843 634 H GLY 10 H GLY 10 -12.523 28.112 16.942 635 HA2 GLY 10 HA2 GLY 10 -11.674 29.217 14.952 636 HA3 GLY 10 HA3 GLY 10 -12.076 30.778 15.634 637 H GLU 11 H GLU 11 -10.630 28.847 18.000 638 HA GLU 11 HA GLU 11 -7.814 29.221 17.202 639 HB2 GLU 11 HB2 GLU 11 -7.402 29.802 19.717 640 HB3 GLU 11 HB3 GLU 11 -7.700 31.073 18.515 641 HG2 GLU 11 HG2 GLU 11 -10.070 31.217 19.290 642 HG3 GLU 11 HG3 GLU 11 -9.736 29.981 20.505 643 H ARG 12 H ARG 12 -9.618 28.199 20.114 644 HA ARG 12 HA ARG 12 -9.460 26.399 21.448 645 HB2 ARG 12 HB2 ARG 12 -9.304 24.362 19.367 646 HB3 ARG 12 HB3 ARG 12 -10.292 24.566 20.776 647 HG2 ARG 12 HG2 ARG 12 -11.993 24.923 19.524 648 HG3 ARG 12 HG3 ARG 12 -11.384 26.501 19.110 649 HD2 ARG 12 HD2 ARG 12 -11.155 23.852 17.623 650 HD3 ARG 12 HD3 ARG 12 -11.828 25.371 17.006 651 HE ARG 12 HE ARG 12 -9.228 26.059 17.440 652 HH11 ARG 12 HH11 ARG 12 -10.337 23.249 15.636 653 HH12 ARG 12 HH12 ARG 12 -8.709 22.969 15.059 654 HH21 ARG 12 HH21 ARG 12 -7.450 25.792 16.525 655 HH22 ARG 12 HH22 ARG 12 -7.263 24.675 15.207 656 H PHE 13 H PHE 13 -7.019 27.590 21.077 657 HA PHE 13 HA PHE 13 -4.786 25.852 20.624 658 HB2 PHE 13 HB2 PHE 13 -5.141 28.368 22.301 659 HB3 PHE 13 HB3 PHE 13 -3.608 27.673 21.849 660 HD1 PHE 13 HD1 PHE 13 -5.023 27.066 18.836 661 HD2 PHE 13 HD2 PHE 13 -4.244 30.490 21.355 662 HE1 PHE 13 HE1 PHE 13 -5.071 28.537 16.858 663 HE2 PHE 13 HE2 PHE 13 -4.272 31.957 19.351 664 HZ PHE 13 HZ PHE 13 -4.690 30.983 17.099 665 H THR 14 H THR 14 -3.106 25.471 22.473 666 HA THR 14 HA THR 14 -3.811 23.330 23.871 667 HB THR 14 HB THR 14 -1.538 24.138 23.574 668 HG1 THR 14 HG1 THR 14 -1.797 22.469 24.990 669 HG21 THR 14 HG21 THR 14 -1.897 25.832 26.073 670 HG22 THR 14 HG22 THR 14 -1.826 26.492 24.421 671 HG23 THR 14 HG23 THR 14 -0.436 25.628 25.095 672 H GLU 15 H GLU 15 -4.201 26.540 25.521 673 HA GLU 15 HA GLU 15 -5.323 25.288 27.917 674 HB2 GLU 15 HB2 GLU 15 -5.298 28.182 26.973 675 HB3 GLU 15 HB3 GLU 15 -5.882 27.628 28.548 676 HG2 GLU 15 HG2 GLU 15 -3.615 26.663 29.018 677 HG3 GLU 15 HG3 GLU 15 -3.032 27.363 27.506 678 H GLU 16 H GLU 16 -6.684 26.655 25.004 679 HA GLU 16 HA GLU 16 -9.498 26.276 25.871 680 HB2 GLU 16 HB2 GLU 16 -8.404 27.445 23.293 681 HB3 GLU 16 HB3 GLU 16 -10.085 27.444 23.815 682 HG2 GLU 16 HG2 GLU 16 -7.787 28.974 25.094 683 HG3 GLU 16 HG3 GLU 16 -9.093 29.634 24.125 684 H GLU 17 H GLU 17 -7.207 24.304 24.717 685 HA GLU 17 HA GLU 17 -8.306 22.903 22.617 686 HB2 GLU 17 HB2 GLU 17 -5.988 22.814 23.631 687 HB3 GLU 17 HB3 GLU 17 -6.624 21.695 24.841 688 HG2 GLU 17 HG2 GLU 17 -7.236 20.143 22.897 689 HG3 GLU 17 HG3 GLU 17 -6.420 21.287 21.831 690 H GLN 18 H GLN 18 -9.472 22.686 25.783 691 HA GLN 18 HA GLN 18 -10.483 20.338 26.325 692 HB2 GLN 18 HB2 GLN 18 -12.344 21.130 27.476 693 HB3 GLN 18 HB3 GLN 18 -11.163 22.409 27.614 694 HG2 GLN 18 HG2 GLN 18 -13.609 22.372 25.813 695 HG3 GLN 18 HG3 GLN 18 -13.396 23.206 27.366 696 HE21 GLN 18 HE22 GLN 18 -13.179 23.656 24.028 697 HE22 GLN 18 HE21 GLN 18 -11.923 24.902 24.014 698 H LYS 19 H LYS 19 -11.840 22.198 23.733 699 HA LYS 19 HA LYS 19 -13.855 20.541 22.693 700 HB2 LYS 19 HB2 LYS 19 -13.379 22.726 21.776 701 HB3 LYS 19 HB3 LYS 19 -11.736 22.322 21.556 702 HG2 LYS 19 HG2 LYS 19 -13.292 22.580 19.551 703 HG3 LYS 19 HG3 LYS 19 -11.925 21.451 19.641 704 HD2 LYS 19 HD2 LYS 19 -13.044 19.621 19.514 705 HD3 LYS 19 HD3 LYS 19 -14.478 20.206 20.284 706 HE2 LYS 19 HE2 LYS 19 -14.622 19.535 17.767 707 HE3 LYS 19 HE3 LYS 19 -15.293 21.095 18.177 708 HZ1 LYS 19 HZ1 LYS 19 -12.525 20.836 17.115 709 HZ2 LYS 19 HZ2 LYS 19 -13.450 22.199 17.303 710 HZ3 LYS 19 HZ3 LYS 19 -13.835 21.106 16.170 711 H LEU 20 H LEU 20 -10.464 20.438 21.705 712 HA LEU 20 HA LEU 20 -10.781 18.117 20.010 713 HB2 LEU 20 HB2 LEU 20 -8.236 19.454 21.038 714 HB3 LEU 20 HB3 LEU 20 -8.343 18.369 19.706 715 HG LEU 20 HG LEU 20 -8.051 20.288 18.652 716 HD11 LEU 20 HD11 LEU 20 -9.845 19.187 17.542 717 HD12 LEU 20 HD12 LEU 20 -10.188 20.932 17.532 718 HD13 LEU 20 HD13 LEU 20 -11.065 19.833 18.624 719 HD21 LEU 20 HD21 LEU 20 -8.250 21.683 20.616 720 HD22 LEU 20 HD22 LEU 20 -10.003 21.735 20.476 721 HD23 LEU 20 HD23 LEU 20 -8.968 22.366 19.163 722 H LEU 21 H LEU 21 -9.597 18.829 23.187 723 HA LEU 21 HA LEU 21 -8.574 16.272 24.023 724 HB2 LEU 21 HB2 LEU 21 -8.024 17.595 25.755 725 HB3 LEU 21 HB3 LEU 21 -9.209 18.811 25.329 726 HG LEU 21 HG LEU 21 -10.960 17.637 26.510 727 HD11 LEU 21 HD11 LEU 21 -9.526 15.747 28.202 728 HD12 LEU 21 HD12 LEU 21 -9.055 15.371 26.556 729 HD13 LEU 21 HD13 LEU 21 -10.772 15.383 27.020 730 HD21 LEU 21 HD21 LEU 21 -10.480 17.767 28.695 731 HD22 LEU 21 HD22 LEU 21 -9.806 19.181 27.874 732 HD23 LEU 21 HD23 LEU 21 -8.704 17.892 28.426 733 H LEU 22 H LEU 22 -11.974 17.706 24.080 734 HA LEU 22 HA LEU 22 -12.748 15.537 25.752 735 HB2 LEU 22 HB2 LEU 22 -14.056 17.467 25.863 736 HB3 LEU 22 HB3 LEU 22 -14.303 17.574 24.131 737 HG LEU 22 HG LEU 22 -16.317 17.051 25.447 738 HD11 LEU 22 HD11 LEU 22 -17.329 15.606 23.964 739 HD12 LEU 22 HD12 LEU 22 -15.890 14.621 23.716 740 HD13 LEU 22 HD13 LEU 22 -15.972 16.240 23.009 741 HD21 LEU 22 HD21 LEU 22 -16.692 14.782 26.334 742 HD22 LEU 22 HD22 LEU 22 -15.384 15.624 27.174 743 HD23 LEU 22 HD23 LEU 22 -14.994 14.368 26.007 744 H ASN 23 H ASN 23 -13.062 16.361 22.379 745 HA ASN 23 HA ASN 23 -14.311 14.209 21.127 746 HB2 ASN 23 HB2 ASN 23 -12.343 16.428 20.369 747 HB3 ASN 23 HB3 ASN 23 -12.718 15.263 19.219 748 HD21 ASN 23 HD21 ASN 23 -13.327 17.874 18.919 749 HD22 ASN 23 HD22 ASN 23 -15.076 18.066 18.940 750 H ILE 24 H ILE 24 -10.814 14.450 21.887 751 HA ILE 24 HA ILE 24 -10.379 11.800 20.609 752 HB ILE 24 HB ILE 24 -8.135 11.861 21.298 753 HG12 ILE 24 HG12 ILE 24 -8.803 14.298 22.932 754 HG13 ILE 24 HG13 ILE 24 -8.257 12.753 23.512 755 HG21 ILE 24 HG21 ILE 24 -7.326 13.686 19.953 756 HG22 ILE 24 HG22 ILE 24 -8.803 13.040 19.246 757 HG23 ILE 24 HG23 ILE 24 -8.852 14.565 20.136 758 HD11 ILE 24 HD11 ILE 24 -6.418 14.297 23.625 759 HD12 ILE 24 HD12 ILE 24 -6.059 13.120 22.343 760 HD13 ILE 24 HD13 ILE 24 -6.612 14.764 21.929 761 H LEU 25 H LEU 25 -11.072 12.991 23.825 762 HA LEU 25 HA LEU 25 -10.226 10.643 25.204 763 HB2 LEU 25 HB2 LEU 25 -10.291 12.914 26.144 764 HB3 LEU 25 HB3 LEU 25 -12.049 12.932 26.026 765 HG LEU 25 HG LEU 25 -12.177 11.058 27.673 766 HD11 LEU 25 HD11 LEU 25 -9.160 11.486 27.851 767 HD12 LEU 25 HD12 LEU 25 -9.986 10.000 27.331 768 HD13 LEU 25 HD13 LEU 25 -10.126 10.539 29.008 769 HD21 LEU 25 HD21 LEU 25 -11.595 12.385 29.629 770 HD22 LEU 25 HD22 LEU 25 -12.318 13.425 28.392 771 HD23 LEU 25 HD23 LEU 25 -10.557 13.441 28.647 772 H ILE 26 H ILE 26 -13.335 11.631 23.827 773 HA ILE 26 HA ILE 26 -14.861 9.420 24.951 774 HB ILE 26 HB ILE 26 -16.680 10.160 23.531 775 HG12 ILE 26 HG12 ILE 26 -14.922 12.370 22.418 776 HG13 ILE 26 HG13 ILE 26 -15.150 10.846 21.563 777 HG21 ILE 26 HG21 ILE 26 -16.316 11.216 25.695 778 HG22 ILE 26 HG22 ILE 26 -15.290 12.449 24.950 779 HG23 ILE 26 HG23 ILE 26 -17.012 12.364 24.546 780 HD11 ILE 26 HD11 ILE 26 -17.604 11.202 21.557 781 HD12 ILE 26 HD12 ILE 26 -17.360 12.796 22.317 782 HD13 ILE 26 HD13 ILE 26 -16.709 12.476 20.700 783 H ASN 27 H ASN 27 -16.339 8.317 23.097 784 HA ASN 27 HA ASN 27 -14.813 6.080 22.391 785 HB2 ASN 27 HB2 ASN 27 -16.892 5.277 21.368 786 HB3 ASN 27 HB3 ASN 27 -17.194 6.007 22.939 787 HD21 ASN 27 HD21 ASN 27 -18.617 7.852 23.026 788 HD22 ASN 27 HD22 ASN 27 -19.372 8.471 21.571 789 H HIS 28 H HIS 28 -15.544 8.848 20.313 790 HA HIS 28 HA HIS 28 -13.733 7.772 18.255 791 HB2 HIS 28 HB2 HIS 28 -16.136 7.007 17.764 792 HB3 HIS 28 HB3 HIS 28 -16.529 8.700 17.489 793 HD1 HIS 28 HD1 HIS 28 -15.008 9.840 15.321 794 HD2 HIS 28 HD2 HIS 28 -15.132 5.651 15.800 795 HE1 HIS 28 HE1 HIS 28 -14.280 8.841 13.097 796 H GLU 29 H GLU 29 -12.725 9.327 17.019 797 HA GLU 29 HA GLU 29 -12.570 12.020 18.015 798 HB2 GLU 29 HB2 GLU 29 -11.505 10.749 15.466 799 HB3 GLU 29 HB3 GLU 29 -11.124 12.391 16.008 800 HG2 GLU 29 HG2 GLU 29 -10.155 11.505 18.099 801 HG3 GLU 29 HG3 GLU 29 -10.543 9.858 17.610 802 H TYR 30 H TYR 30 -13.193 13.986 17.077 803 HA TYR 30 HA TYR 30 -15.609 13.790 15.311 804 HB2 TYR 30 HB2 TYR 30 -16.119 13.434 17.722 805 HB3 TYR 30 HB3 TYR 30 -15.413 15.018 18.057 806 HD1 TYR 30 HD1 TYR 30 -17.947 13.528 15.670 807 HD2 TYR 30 HD2 TYR 30 -16.932 16.757 18.342 808 HE1 TYR 30 HE1 TYR 30 -20.107 14.647 15.152 809 HE2 TYR 30 HE2 TYR 30 -19.051 17.875 17.819 810 HH TYR 30 HH TYR 30 -21.073 17.744 16.689 811 H ALA 31 H ALA 31 -13.430 16.269 16.881 812 HA ALA 31 HA ALA 31 -13.925 18.496 15.642 813 HB1 ALA 31 HB1 ALA 31 -12.015 18.131 17.037 814 HB2 ALA 31 HB2 ALA 31 -11.215 17.142 15.782 815 HB3 ALA 31 HB3 ALA 31 -11.467 18.867 15.500 816 H ILE 32 H ILE 32 -12.042 15.921 13.987 817 HA ILE 32 HA ILE 32 -11.868 17.000 11.456 818 HB ILE 32 HB ILE 32 -12.026 14.137 12.431 819 HG12 ILE 32 HG12 ILE 32 -9.593 14.062 11.920 820 HG13 ILE 32 HG13 ILE 32 -9.626 15.775 11.504 821 HG21 ILE 32 HG21 ILE 32 -11.124 15.074 9.699 822 HG22 ILE 32 HG22 ILE 32 -11.112 13.385 10.326 823 HG23 ILE 32 HG23 ILE 32 -12.620 14.179 9.998 824 HD11 ILE 32 HD11 ILE 32 -10.399 14.684 14.241 825 HD12 ILE 32 HD12 ILE 32 -8.735 15.102 13.807 826 HD13 ILE 32 HD13 ILE 32 -9.971 16.370 13.809 827 H GLU 33 H GLU 33 -14.474 14.933 12.721 828 HA GLU 33 HA GLU 33 -16.162 14.726 10.443 829 HB2 GLU 33 HB2 GLU 33 -16.302 13.882 13.004 830 HB3 GLU 33 HB3 GLU 33 -17.433 15.231 13.105 831 HG2 GLU 33 HG2 GLU 33 -17.573 12.908 11.140 832 HG3 GLU 33 HG3 GLU 33 -18.470 13.012 12.650 833 H LEU 34 H LEU 34 -15.838 17.307 12.869 834 HA LEU 34 HA LEU 34 -17.747 19.079 11.707 835 HB2 LEU 34 HB2 LEU 34 -15.313 20.020 13.290 836 HB3 LEU 34 HB3 LEU 34 -16.823 20.846 13.008 837 HG LEU 34 HG LEU 34 -16.164 18.648 14.946 838 HD11 LEU 34 HD11 LEU 34 -17.773 21.216 15.205 839 HD12 LEU 34 HD12 LEU 34 -16.047 21.062 15.577 840 HD13 LEU 34 HD13 LEU 34 -17.241 20.154 16.525 841 HD21 LEU 34 HD21 LEU 34 -18.916 19.227 13.838 842 HD22 LEU 34 HD22 LEU 34 -18.653 18.620 15.481 843 HD23 LEU 34 HD23 LEU 34 -18.094 17.652 14.123 844 H LEU 35 H LEU 35 -14.178 18.811 11.189 845 HA LEU 35 HA LEU 35 -13.851 20.991 9.458 846 HB2 LEU 35 HB2 LEU 35 -11.965 19.608 10.261 847 HB3 LEU 35 HB3 LEU 35 -12.525 18.232 9.378 848 HG LEU 35 HG LEU 35 -12.054 19.184 7.242 849 HD11 LEU 35 HD11 LEU 35 -12.428 21.637 7.827 850 HD12 LEU 35 HD12 LEU 35 -11.031 21.260 6.821 851 HD13 LEU 35 HD13 LEU 35 -10.805 21.621 8.529 852 HD21 LEU 35 HD21 LEU 35 -9.608 19.290 7.408 853 HD22 LEU 35 HD22 LEU 35 -10.270 17.986 8.408 854 HD23 LEU 35 HD23 LEU 35 -9.723 19.498 9.168 855 H SER 36 H SER 36 -14.599 17.574 8.381 856 HA SER 36 HA SER 36 -14.731 18.375 5.639 857 HB2 SER 36 HB2 SER 36 -14.414 16.027 6.654 858 HB3 SER 36 HB3 SER 36 -16.187 15.973 6.718 859 HG SER 36 HG SER 36 -15.962 16.692 4.374 860 H SER 37 H SER 37 -17.259 18.028 8.146 861 HA SER 37 HA SER 37 -19.487 18.433 6.435 862 HB2 SER 37 HB2 SER 37 -19.595 17.615 8.784 863 HB3 SER 37 HB3 SER 37 -19.191 19.244 9.359 864 HG SER 37 HG SER 37 -21.457 18.902 9.327 865 H GLU 38 H GLU 38 -17.435 20.628 8.284 866 HA GLU 38 HA GLU 38 -18.753 23.138 7.796 867 HB2 GLU 38 HB2 GLU 38 -15.993 22.311 8.740 868 HB3 GLU 38 HB3 GLU 38 -16.219 23.953 8.323 869 HG2 GLU 38 HG2 GLU 38 -17.943 22.480 10.362 870 HG3 GLU 38 HG3 GLU 38 -16.541 23.475 10.745 871 H ILE 39 H ILE 39 -15.850 21.726 6.204 872 HA ILE 39 HA ILE 39 -15.473 23.974 4.481 873 HB ILE 39 HB ILE 39 -14.060 22.470 3.129 874 HG12 ILE 39 HG12 ILE 39 -13.528 20.280 4.752 875 HG13 ILE 39 HG13 ILE 39 -15.283 20.356 4.769 876 HG21 ILE 39 HG21 ILE 39 -13.642 22.542 6.139 877 HG22 ILE 39 HG22 ILE 39 -12.347 22.286 4.954 878 HG23 ILE 39 HG23 ILE 39 -13.220 23.823 4.986 879 HD11 ILE 39 HD11 ILE 39 -15.253 20.323 2.239 880 HD12 ILE 39 HD12 ILE 39 -13.483 20.205 2.308 881 HD13 ILE 39 HD13 ILE 39 -14.487 18.896 2.964 882 H ASN 40 H ASN 40 -17.156 20.827 3.971 883 HA ASN 40 HA ASN 40 -17.923 21.658 1.303 884 HB2 ASN 40 HB2 ASN 40 -18.983 19.730 1.004 885 HB3 ASN 40 HB3 ASN 40 -17.875 19.244 2.282 886 HD21 ASN 40 HD21 ASN 40 -18.769 18.716 4.303 887 HD22 ASN 40 HD22 ASN 40 -20.505 18.592 4.562 888 H ASP 41 H ASP 41 -19.450 22.380 4.422 889 HA ASP 41 HA ASP 41 -21.983 23.180 3.229 890 HB2 ASP 41 HB2 ASP 41 -21.566 22.494 5.645 891 HB3 ASP 41 HB3 ASP 41 -20.854 24.091 5.896 892 H ILE 42 H ILE 42 -18.863 24.710 3.696 893 HA ILE 42 HA ILE 42 -19.880 27.375 2.834 894 HB ILE 42 HB ILE 42 -17.153 26.334 3.628 895 HG12 ILE 42 HG12 ILE 42 -17.333 28.308 5.192 896 HG13 ILE 42 HG13 ILE 42 -18.953 28.619 4.587 897 HG21 ILE 42 HG21 ILE 42 -16.677 27.777 1.702 898 HG22 ILE 42 HG22 ILE 42 -17.754 29.040 2.347 899 HG23 ILE 42 HG23 ILE 42 -16.248 28.615 3.187 900 HD11 ILE 42 HD11 ILE 42 -17.969 26.216 6.151 901 HD12 ILE 42 HD12 ILE 42 -19.114 27.451 6.704 902 HD13 ILE 42 HD13 ILE 42 -19.610 26.300 5.482 903 H GLU 43 H GLU 43 -17.870 24.802 1.472 904 HA GLU 43 HA GLU 43 -17.337 26.097 -0.997 905 HB2 GLU 43 HB2 GLU 43 -16.206 24.063 0.103 906 HB3 GLU 43 HB3 GLU 43 -17.453 23.076 -0.611 907 HG2 GLU 43 HG2 GLU 43 -15.460 23.031 -2.004 908 HG3 GLU 43 HG3 GLU 43 -16.776 23.802 -2.875 909 H THR 44 H THR 44 -19.787 23.646 -0.274 910 HA THR 44 HA THR 44 -21.172 24.263 -2.871 911 HB THR 44 HB THR 44 -20.105 22.117 -3.022 912 HG1 THR 44 HG1 THR 44 -21.912 20.997 -3.668 913 HG21 THR 44 HG21 THR 44 -21.787 21.306 -0.618 914 HG22 THR 44 HG22 THR 44 -20.014 21.288 -0.770 915 HG23 THR 44 HG23 THR 44 -20.986 20.169 -1.725 916 H GLY 45 H GLY 45 -21.732 23.451 0.599 917 HA2 GLY 45 HA2 GLY 45 -24.553 23.884 0.507 918 HA3 GLY 45 HA3 GLY 45 -23.522 24.082 1.920 919 H THR 46 H THR 46 -22.005 26.207 0.251 920 HA THR 46 HA THR 46 -21.863 28.404 0.057 921 HB THR 46 HB THR 46 -23.544 29.646 -1.228 922 HG1 THR 46 HG1 THR 46 -25.276 28.522 -2.092 923 HG21 THR 46 HG21 THR 46 -21.763 28.326 -2.316 924 HG22 THR 46 HG22 THR 46 -23.241 28.390 -3.287 925 HG23 THR 46 HG23 THR 46 -22.844 26.918 -2.377 926 H LYS 47 H LYS 47 -22.424 27.701 2.639 927 HA LYS 47 HA LYS 47 -23.871 29.810 3.997 928 HB2 LYS 47 HB2 LYS 47 -21.253 28.413 4.715 929 HB3 LYS 47 HB3 LYS 47 -22.165 29.453 5.788 930 HG2 LYS 47 HG2 LYS 47 -22.985 26.735 4.729 931 HG3 LYS 47 HG3 LYS 47 -22.535 27.142 6.367 932 HD2 LYS 47 HD2 LYS 47 -25.037 28.080 4.896 933 HD3 LYS 47 HD3 LYS 47 -24.974 26.796 6.084 934 HE2 LYS 47 HE2 LYS 47 -24.269 29.707 6.682 935 HE3 LYS 47 HE3 LYS 47 -25.855 28.982 6.951 936 HZ1 LYS 47 HZ1 LYS 47 -24.814 27.398 8.481 937 HZ2 LYS 47 HZ2 LYS 47 -24.556 28.929 8.981 938 HZ3 LYS 47 HZ3 LYS 47 -23.349 28.088 8.273 939 H ASN 48 H ASN 48 -23.142 31.896 4.685 940 HA ASN 48 HA ASN 48 -20.731 33.018 3.435 941 HB2 ASN 48 HB2 ASN 48 -22.486 33.187 1.678 942 HB3 ASN 48 HB3 ASN 48 -23.540 34.044 2.807 943 HD21 ASN 48 HD21 ASN 48 -20.212 34.252 1.385 944 HD22 ASN 48 HD22 ASN 48 -20.226 36.007 1.323 945 H VAL 49 H VAL 49 -19.788 34.382 4.751 946 HA VAL 49 HA VAL 49 -21.042 36.289 6.499 947 HB VAL 49 HB VAL 49 -21.479 34.380 7.900 948 HG11 VAL 49 HG11 VAL 49 -19.886 32.739 7.057 949 HG12 VAL 49 HG12 VAL 49 -18.542 33.677 7.751 950 HG13 VAL 49 HG13 VAL 49 -19.747 32.905 8.809 951 HG21 VAL 49 HG21 VAL 49 -19.048 35.655 9.175 952 HG22 VAL 49 HG22 VAL 49 -20.656 36.430 9.084 953 HG23 VAL 49 HG23 VAL 49 -20.435 34.906 9.964 954 H ASP 50 H ASP 50 -19.242 37.359 7.838 955 HA ASP 50 HA ASP 50 -16.822 37.976 6.361 956 HB2 ASP 50 HB2 ASP 50 -18.186 39.442 7.960 957 HB3 ASP 50 HB3 ASP 50 -17.526 38.476 9.278 958 H GLY 51 H GLY 51 -14.716 37.863 8.059 959 HA2 GLY 51 HA2 GLY 51 -13.536 35.481 7.808 960 HA3 GLY 51 HA3 GLY 51 -13.105 36.593 9.089 961 H THR 52 H THR 52 -16.084 35.710 10.055 962 HA THR 52 HA THR 52 -15.401 34.021 12.206 963 HB THR 52 HB THR 52 -17.992 34.143 10.604 964 HG1 THR 52 HG1 THR 52 -17.178 35.621 12.888 965 HG21 THR 52 HG21 THR 52 -19.068 33.476 12.700 966 HG22 THR 52 HG22 THR 52 -17.470 33.346 13.489 967 HG23 THR 52 HG23 THR 52 -17.913 32.237 12.171 968 H THR 53 H THR 53 -17.129 32.824 9.201 969 HA THR 53 HA THR 53 -16.562 30.140 9.861 970 HB THR 53 HB THR 53 -18.419 30.980 8.413 971 HG1 THR 53 HG1 THR 53 -17.972 28.820 8.559 972 HG21 THR 53 HG21 THR 53 -16.429 30.801 6.109 973 HG22 THR 53 HG22 THR 53 -16.982 32.346 6.791 974 HG23 THR 53 HG23 THR 53 -18.144 31.232 6.046 975 H TYR 54 H TYR 54 -14.798 32.360 7.762 976 HA TYR 54 HA TYR 54 -12.849 30.671 6.598 977 HB2 TYR 54 HB2 TYR 54 -12.603 33.470 7.788 978 HB3 TYR 54 HB3 TYR 54 -11.342 32.690 6.877 979 HD1 TYR 54 HD1 TYR 54 -14.835 34.036 6.561 980 HD2 TYR 54 HD2 TYR 54 -11.342 32.566 4.497 981 HE1 TYR 54 HE1 TYR 54 -15.783 34.827 4.414 982 HE2 TYR 54 HE2 TYR 54 -12.300 33.359 2.334 983 HH TYR 54 HH TYR 54 -15.483 35.005 2.148 984 H LYS 55 H LYS 55 -12.630 32.486 9.733 985 HA LYS 55 HA LYS 55 -10.310 31.301 10.564 986 HB2 LYS 55 HB2 LYS 55 -11.222 33.464 11.265 987 HB3 LYS 55 HB3 LYS 55 -12.502 32.693 12.123 988 HG2 LYS 55 HG2 LYS 55 -10.734 32.935 13.839 989 HG3 LYS 55 HG3 LYS 55 -10.371 31.343 13.256 990 HD2 LYS 55 HD2 LYS 55 -9.055 32.710 11.337 991 HD3 LYS 55 HD3 LYS 55 -9.027 33.958 12.576 992 HE2 LYS 55 HE2 LYS 55 -8.058 32.314 14.217 993 HE3 LYS 55 HE3 LYS 55 -7.991 31.107 12.930 994 HZ1 LYS 55 HZ1 LYS 55 -5.858 32.247 13.184 995 HZ2 LYS 55 HZ2 LYS 55 -6.537 33.704 12.917 996 HZ3 LYS 55 HZ3 LYS 55 -6.474 32.601 11.713 997 H LYS 56 H LYS 56 -13.646 30.263 11.404 998 HA LYS 56 HA LYS 56 -12.972 28.002 13.022 999 HB2 LYS 56 HB2 LYS 56 -15.304 28.604 11.244 1000 HB3 LYS 56 HB3 LYS 56 -15.073 26.997 11.942 1001 HG2 LYS 56 HG2 LYS 56 -16.339 28.028 13.556 1002 HG3 LYS 56 HG3 LYS 56 -14.706 28.194 14.201 1003 HD2 LYS 56 HD2 LYS 56 -14.597 30.535 13.448 1004 HD3 LYS 56 HD3 LYS 56 -16.291 30.417 12.879 1005 HE2 LYS 56 HE2 LYS 56 -17.042 29.883 15.134 1006 HE3 LYS 56 HE3 LYS 56 -15.379 29.716 15.693 1007 HZ1 LYS 56 HZ1 LYS 56 -16.616 32.276 14.864 1008 HZ2 LYS 56 HZ2 LYS 56 -15.053 32.096 15.345 1009 HZ3 LYS 56 HZ3 LYS 56 -16.267 31.825 16.390 1010 H LEU 57 H LEU 57 -13.204 27.999 9.400 1011 HA LEU 57 HA LEU 57 -12.310 25.220 9.471 1012 HB2 LEU 57 HB2 LEU 57 -12.825 25.003 7.365 1013 HB3 LEU 57 HB3 LEU 57 -14.107 25.965 8.063 1014 HG LEU 57 HG LEU 57 -12.857 28.030 7.002 1015 HD11 LEU 57 HD11 LEU 57 -10.824 26.959 6.155 1016 HD12 LEU 57 HD12 LEU 57 -11.814 27.463 4.796 1017 HD13 LEU 57 HD13 LEU 57 -11.786 25.755 5.272 1018 HD21 LEU 57 HD21 LEU 57 -15.087 27.242 6.344 1019 HD22 LEU 57 HD22 LEU 57 -14.360 26.009 5.289 1020 HD23 LEU 57 HD23 LEU 57 -14.156 27.738 4.927 1021 H VAL 58 H VAL 58 -10.612 28.245 8.968 1022 HA VAL 58 HA VAL 58 -8.206 26.794 8.123 1023 HB VAL 58 HB VAL 58 -8.866 29.122 7.371 1024 HG11 VAL 58 HG11 VAL 58 -7.408 30.106 9.847 1025 HG12 VAL 58 HG12 VAL 58 -8.388 31.018 8.663 1026 HG13 VAL 58 HG13 VAL 58 -9.157 29.907 9.804 1027 HG21 VAL 58 HG21 VAL 58 -6.674 28.096 6.886 1028 HG22 VAL 58 HG22 VAL 58 -6.569 29.851 7.117 1029 HG23 VAL 58 HG23 VAL 58 -6.048 28.762 8.418 1030 H THR 59 H THR 59 -9.636 27.765 11.182 1031 HA THR 59 HA THR 59 -7.181 27.394 12.712 1032 HB THR 59 HB THR 59 -9.189 28.683 13.543 1033 HG1 THR 59 HG1 THR 59 -7.560 28.297 14.899 1034 HG21 THR 59 HG21 THR 59 -10.368 25.915 13.798 1035 HG22 THR 59 HG22 THR 59 -11.069 27.467 13.464 1036 HG23 THR 59 HG23 THR 59 -10.607 27.088 15.115 1037 H LEU 60 H LEU 60 -9.850 25.353 11.637 1038 HA LEU 60 HA LEU 60 -9.370 22.935 12.904 1039 HB2 LEU 60 HB2 LEU 60 -10.347 23.616 10.216 1040 HB3 LEU 60 HB3 LEU 60 -9.561 22.050 10.294 1041 HG LEU 60 HG LEU 60 -11.921 21.859 10.596 1042 HD11 LEU 60 HD11 LEU 60 -12.054 20.414 12.434 1043 HD12 LEU 60 HD12 LEU 60 -10.705 21.194 13.295 1044 HD13 LEU 60 HD13 LEU 60 -10.412 20.243 11.820 1045 HD21 LEU 60 HD21 LEU 60 -12.517 23.923 11.512 1046 HD22 LEU 60 HD22 LEU 60 -11.593 23.637 13.002 1047 HD23 LEU 60 HD23 LEU 60 -13.049 22.659 12.628 1048 H TYR 61 H TYR 61 -7.589 23.930 9.988 1049 HA TYR 61 HA TYR 61 -5.589 21.820 10.342 1050 HB2 TYR 61 HB2 TYR 61 -4.812 22.266 8.333 1051 HB3 TYR 61 HB3 TYR 61 -6.207 23.346 8.166 1052 HD1 TYR 61 HD1 TYR 61 -2.547 23.101 8.685 1053 HD2 TYR 61 HD2 TYR 61 -5.849 25.817 8.216 1054 HE1 TYR 61 HE1 TYR 61 -0.955 24.934 8.226 1055 HE2 TYR 61 HE2 TYR 61 -4.236 27.675 7.811 1056 HH TYR 61 HH TYR 61 -2.036 28.300 7.657 1057 H ASP 62 H ASP 62 -5.720 25.198 11.239 1058 HA ASP 62 HA ASP 62 -3.049 25.561 12.057 1059 HB2 ASP 62 HB2 ASP 62 -4.887 27.346 11.869 1060 HB3 ASP 62 HB3 ASP 62 -5.311 26.890 13.531 1061 H ARG 63 H ARG 63 -5.489 23.611 13.699 1062 HA ARG 63 HA ARG 63 -3.144 22.856 15.427 1063 HB2 ARG 63 HB2 ARG 63 -5.984 22.950 16.459 1064 HB3 ARG 63 HB3 ARG 63 -4.683 22.081 17.249 1065 HG2 ARG 63 HG2 ARG 63 -4.757 25.095 16.835 1066 HG3 ARG 63 HG3 ARG 63 -4.969 24.168 18.345 1067 HD2 ARG 63 HD2 ARG 63 -2.781 23.378 18.358 1068 HD3 ARG 63 HD3 ARG 63 -2.370 24.084 16.794 1069 HE ARG 63 HE ARG 63 -2.067 25.243 19.304 1070 HH11 ARG 63 HH21 ARG 63 -2.773 26.105 16.006 1071 HH12 ARG 63 HH22 ARG 63 -2.476 27.796 16.233 1072 HH21 ARG 63 HH11 ARG 63 -1.493 27.401 19.547 1073 HH22 ARG 63 HH12 ARG 63 -1.591 28.472 18.178 1074 H PHE 64 H PHE 64 -5.741 21.469 13.492 1075 HA PHE 64 HA PHE 64 -5.254 18.776 14.250 1076 HB2 PHE 64 HB2 PHE 64 -7.167 19.297 12.945 1077 HB3 PHE 64 HB3 PHE 64 -6.172 20.039 11.686 1078 HD1 PHE 64 HD1 PHE 64 -7.237 16.793 13.184 1079 HD2 PHE 64 HD2 PHE 64 -5.000 18.692 10.049 1080 HE1 PHE 64 HE1 PHE 64 -6.992 14.602 12.018 1081 HE2 PHE 64 HE2 PHE 64 -4.746 16.532 8.883 1082 HZ PHE 64 HZ PHE 64 -5.706 14.458 9.897 1083 H ARG 65 H ARG 65 -3.634 20.742 11.648 1084 HA ARG 65 HA ARG 65 -1.917 18.583 10.729 1085 HB2 ARG 65 HB2 ARG 65 -2.149 21.609 10.311 1086 HB3 ARG 65 HB3 ARG 65 -0.934 20.723 9.542 1087 HG2 ARG 65 HG2 ARG 65 -3.874 20.342 9.139 1088 HG3 ARG 65 HG3 ARG 65 -2.747 21.058 7.983 1089 HD2 ARG 65 HD2 ARG 65 -2.758 18.200 8.903 1090 HD3 ARG 65 HD3 ARG 65 -3.322 18.774 7.323 1091 HE ARG 65 HE ARG 65 -0.606 19.592 7.743 1092 HH11 ARG 65 HH12 ARG 65 -2.376 16.710 6.778 1093 HH12 ARG 65 HH11 ARG 65 -0.914 15.895 6.305 1094 HH21 ARG 65 HH21 ARG 65 1.176 18.513 7.004 1095 HH22 ARG 65 HH22 ARG 65 1.013 16.914 6.350 1096 H PHE 66 H PHE 66 -1.614 21.264 12.781 1097 HA PHE 66 HA PHE 66 1.258 20.966 13.300 1098 HB2 PHE 66 HB2 PHE 66 -0.817 22.865 14.420 1099 HB3 PHE 66 HB3 PHE 66 0.861 22.869 14.925 1100 HD1 PHE 66 HD1 PHE 66 2.707 23.239 13.186 1101 HD2 PHE 66 HD2 PHE 66 -1.460 24.010 12.417 1102 HE1 PHE 66 HE1 PHE 66 3.330 24.761 11.322 1103 HE2 PHE 66 HE2 PHE 66 -0.838 25.583 10.603 1104 HZ PHE 66 HZ PHE 66 1.558 25.942 10.031 1105 H GLU 67 H GLU 67 -1.513 20.810 15.629 1106 HA GLU 67 HA GLU 67 0.431 19.871 17.690 1107 HB2 GLU 67 HB2 GLU 67 -2.155 21.497 17.799 1108 HB3 GLU 67 HB3 GLU 67 -1.456 20.727 19.220 1109 HG2 GLU 67 HG2 GLU 67 0.764 21.964 18.164 1110 HG3 GLU 67 HG3 GLU 67 -0.488 23.109 17.721 1111 H ASN 68 H ASN 68 -2.749 19.117 16.491 1112 HA ASN 68 HA ASN 68 -3.375 17.322 18.681 1113 HB2 ASN 68 HB2 ASN 68 -4.915 17.518 16.066 1114 HB3 ASN 68 HB3 ASN 68 -5.488 16.978 17.654 1115 HD21 ASN 68 HD22 ASN 68 -4.395 19.046 19.268 1116 HD22 ASN 68 HD21 ASN 68 -5.561 20.324 18.980 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 1.101 -2.813 1.013 2 H2 GLY 1 H2 GLY 1 1.187 -3.209 2.600 3 H3 GLY 1 H3 GLY 1 1.649 -1.718 2.103 4 HA2 GLY 1 HA2 GLY 1 -0.509 -1.602 3.168 5 HA3 GLY 1 HA3 GLY 1 -0.588 -1.146 1.456 6 H SER 2 H SER 2 -2.639 -2.330 3.341 7 HA SER 2 HA SER 2 -3.105 -5.056 2.663 8 HB2 SER 2 HB2 SER 2 -5.112 -3.008 3.667 9 HB3 SER 2 HB3 SER 2 -5.217 -4.768 3.827 10 HG SER 2 HG SER 2 -3.392 -4.714 5.179 11 H HIS 3 H HIS 3 -3.829 -2.245 0.794 12 HA HIS 3 HA HIS 3 -5.134 -3.850 -1.268 13 HB2 HIS 3 HB2 HIS 3 -6.951 -2.933 0.360 14 HB3 HIS 3 HB3 HIS 3 -6.596 -1.341 -0.309 15 HD1 HIS 3 HD1 HIS 3 -7.529 -0.922 -2.801 16 HD2 HIS 3 HD2 HIS 3 -8.020 -4.821 -1.288 17 HE1 HIS 3 HE1 HIS 3 -9.090 -2.139 -4.429 18 H MET 4 H MET 4 -5.544 -2.397 -3.257 19 HA MET 4 HA MET 4 -3.356 -0.473 -3.745 20 HB2 MET 4 HB2 MET 4 -5.746 -1.310 -5.441 21 HB3 MET 4 HB3 MET 4 -4.486 -0.182 -5.953 22 HG2 MET 4 HG2 MET 4 -4.035 -3.097 -5.207 23 HG3 MET 4 HG3 MET 4 -4.143 -2.454 -6.842 24 HE1 MET 4 HE1 MET 4 -0.379 -3.491 -6.550 25 HE2 MET 4 HE2 MET 4 -1.773 -4.303 -5.802 26 HE3 MET 4 HE3 MET 4 -1.893 -3.676 -7.463 27 H ARG 5 H ARG 5 -3.598 1.743 -3.918 28 HA ARG 5 HA ARG 5 -6.191 2.976 -3.060 29 HB2 ARG 5 HB2 ARG 5 -4.269 2.775 -1.329 30 HB3 ARG 5 HB3 ARG 5 -3.474 4.058 -2.207 31 HG2 ARG 5 HG2 ARG 5 -5.556 5.469 -1.868 32 HG3 ARG 5 HG3 ARG 5 -6.255 4.177 -0.988 33 HD2 ARG 5 HD2 ARG 5 -5.513 5.842 0.530 34 HD3 ARG 5 HD3 ARG 5 -4.822 4.262 0.835 35 HE ARG 5 HE ARG 5 -3.069 5.947 -0.778 36 HH11 ARG 5 HH12 ARG 5 -4.111 5.477 2.550 37 HH12 ARG 5 HH11 ARG 5 -2.556 5.943 3.187 38 HH21 ARG 5 HH21 ARG 5 -1.105 6.532 0.131 39 HH22 ARG 5 HH22 ARG 5 -0.923 6.555 1.858 40 H MET 6 H MET 6 -6.746 4.920 -4.101 41 HA MET 6 HA MET 6 -4.734 5.944 -6.015 42 HB2 MET 6 HB2 MET 6 -7.717 5.949 -6.568 43 HB3 MET 6 HB3 MET 6 -6.421 6.331 -7.693 44 HG2 MET 6 HG2 MET 6 -7.005 3.621 -6.460 45 HG3 MET 6 HG3 MET 6 -7.489 4.123 -8.079 46 HE1 MET 6 HE1 MET 6 -6.473 1.819 -8.966 47 HE2 MET 6 HE2 MET 6 -4.792 1.316 -8.679 48 HE3 MET 6 HE3 MET 6 -5.932 1.419 -7.319 49 H SER 7 H SER 7 -4.216 7.193 -4.162 50 HA SER 7 HA SER 7 -5.903 8.858 -2.811 51 HB2 SER 7 HB2 SER 7 -2.974 9.220 -3.392 52 HB3 SER 7 HB3 SER 7 -3.876 10.395 -2.405 53 HG SER 7 HG SER 7 -2.913 8.579 -1.231 54 H LEU 8 H LEU 8 -7.148 10.451 -3.231 55 HA LEU 8 HA LEU 8 -8.377 11.855 -4.331 56 HB2 LEU 8 HB2 LEU 8 -7.876 14.063 -3.968 57 HB3 LEU 8 HB3 LEU 8 -7.465 13.046 -2.658 58 HG LEU 8 HG LEU 8 -5.822 14.943 -4.233 59 HD11 LEU 8 HD11 LEU 8 -5.552 13.833 -1.404 60 HD12 LEU 8 HD12 LEU 8 -6.531 15.248 -1.864 61 HD13 LEU 8 HD13 LEU 8 -4.771 15.290 -2.050 62 HD21 LEU 8 HD21 LEU 8 -3.647 13.985 -3.691 63 HD22 LEU 8 HD22 LEU 8 -4.513 12.996 -4.861 64 HD23 LEU 8 HD23 LEU 8 -4.419 12.486 -3.147 65 H ILE 9 H ILE 9 -8.338 10.541 -6.173 66 HA ILE 9 HA ILE 9 -7.513 11.431 -8.720 67 HB ILE 9 HB ILE 9 -10.274 10.278 -8.361 68 HG12 ILE 9 HG12 ILE 9 -7.824 8.610 -7.740 69 HG13 ILE 9 HG13 ILE 9 -9.043 9.036 -6.627 70 HG21 ILE 9 HG21 ILE 9 -7.977 9.507 -10.208 71 HG22 ILE 9 HG22 ILE 9 -9.670 8.986 -10.341 72 HG23 ILE 9 HG23 ILE 9 -9.253 10.671 -10.617 73 HD11 ILE 9 HD11 ILE 9 -9.618 6.873 -7.189 74 HD12 ILE 9 HD12 ILE 9 -10.763 7.878 -8.088 75 HD13 ILE 9 HD13 ILE 9 -9.372 7.140 -8.928 76 H GLY 10 H GLY 10 -10.019 12.709 -6.598 77 HA2 GLY 10 HA2 GLY 10 -11.225 14.775 -6.968 78 HA3 GLY 10 HA3 GLY 10 -10.998 14.618 -8.701 79 H GLU 11 H GLU 11 -11.900 11.603 -7.521 80 HA GLU 11 HA GLU 11 -14.826 12.079 -7.458 81 HB2 GLU 11 HB2 GLU 11 -14.977 9.915 -8.908 82 HB3 GLU 11 HB3 GLU 11 -14.892 11.522 -9.653 83 HG2 GLU 11 HG2 GLU 11 -12.433 11.141 -10.065 84 HG3 GLU 11 HG3 GLU 11 -12.618 9.507 -9.426 85 H ARG 12 H ARG 12 -12.866 9.120 -7.673 86 HA ARG 12 HA ARG 12 -12.544 7.379 -6.332 87 HB2 ARG 12 HB2 ARG 12 -12.566 8.796 -3.756 88 HB3 ARG 12 HB3 ARG 12 -11.503 7.653 -4.487 89 HG2 ARG 12 HG2 ARG 12 -10.040 9.195 -4.728 90 HG3 ARG 12 HG3 ARG 12 -10.981 9.919 -6.004 91 HD2 ARG 12 HD2 ARG 12 -10.743 10.598 -3.041 92 HD3 ARG 12 HD3 ARG 12 -10.561 11.700 -4.409 93 HE ARG 12 HE ARG 12 -13.143 11.242 -4.683 94 HH11 ARG 12 HH12 ARG 12 -11.686 11.592 -1.500 95 HH12 ARG 12 HH11 ARG 12 -13.268 11.760 -0.775 96 HH21 ARG 12 HH21 ARG 12 -14.899 11.740 -3.794 97 HH22 ARG 12 HH22 ARG 12 -15.006 12.224 -2.133 98 H PHE 13 H PHE 13 -15.165 7.287 -7.011 99 HA PHE 13 HA PHE 13 -16.460 6.347 -4.504 100 HB2 PHE 13 HB2 PHE 13 -18.550 7.243 -5.344 101 HB3 PHE 13 HB3 PHE 13 -17.277 8.387 -4.929 102 HD1 PHE 13 HD2 PHE 13 -18.770 6.700 -7.976 103 HD2 PHE 13 HD1 PHE 13 -16.912 10.200 -6.294 104 HE1 PHE 13 HE2 PHE 13 -19.174 7.927 -10.090 105 HE2 PHE 13 HE1 PHE 13 -17.350 11.446 -8.405 106 HZ PHE 13 HZ PHE 13 -18.471 10.303 -10.309 107 H THR 14 H THR 14 -17.259 4.614 -4.366 108 HA THR 14 HA THR 14 -18.075 2.625 -4.455 109 HB THR 14 HB THR 14 -20.144 3.227 -5.137 110 HG1 THR 14 HG1 THR 14 -20.782 1.526 -6.426 111 HG21 THR 14 HG21 THR 14 -19.676 4.822 -6.877 112 HG22 THR 14 HG22 THR 14 -20.869 3.644 -7.447 113 HG23 THR 14 HG23 THR 14 -19.182 3.534 -8.003 114 H GLU 15 H GLU 15 -17.647 2.653 -7.990 115 HA GLU 15 HA GLU 15 -15.858 0.398 -7.969 116 HB2 GLU 15 HB2 GLU 15 -16.448 2.586 -10.002 117 HB3 GLU 15 HB3 GLU 15 -15.441 1.164 -10.350 118 HG2 GLU 15 HG2 GLU 15 -17.378 -0.316 -9.788 119 HG3 GLU 15 HG3 GLU 15 -18.390 1.113 -9.566 120 H GLU 16 H GLU 16 -15.335 3.869 -7.715 121 HA GLU 16 HA GLU 16 -12.377 3.490 -7.777 122 HB2 GLU 16 HB2 GLU 16 -13.965 6.049 -7.981 123 HB3 GLU 16 HB3 GLU 16 -12.226 5.886 -8.137 124 HG2 GLU 16 HG2 GLU 16 -14.344 4.771 -10.021 125 HG3 GLU 16 HG3 GLU 16 -13.281 6.137 -10.316 126 H GLU 17 H GLU 17 -14.639 3.364 -5.409 127 HA GLU 17 HA GLU 17 -13.625 5.098 -3.428 128 HB2 GLU 17 HB2 GLU 17 -15.808 3.755 -3.460 129 HB3 GLU 17 HB3 GLU 17 -14.867 2.377 -2.891 130 HG2 GLU 17 HG2 GLU 17 -14.212 3.779 -0.858 131 HG3 GLU 17 HG3 GLU 17 -15.247 5.061 -1.492 132 H GLN 18 H GLN 18 -12.187 2.199 -4.495 133 HA GLN 18 HA GLN 18 -10.901 1.026 -2.514 134 HB2 GLN 18 HB2 GLN 18 -9.076 0.327 -3.669 135 HB3 GLN 18 HB3 GLN 18 -10.418 0.403 -4.777 136 HG2 GLN 18 HG2 GLN 18 -8.100 2.364 -4.550 137 HG3 GLN 18 HG3 GLN 18 -8.340 1.074 -5.760 138 HE21 GLN 18 HE22 GLN 18 -8.854 4.397 -5.178 139 HE22 GLN 18 HE21 GLN 18 -10.220 4.642 -6.255 140 H LYS 19 H LYS 19 -9.961 4.208 -3.514 141 HA LYS 19 HA LYS 19 -7.801 4.887 -1.843 142 HB2 LYS 19 HB2 LYS 19 -8.517 6.371 -3.499 143 HB3 LYS 19 HB3 LYS 19 -10.134 6.289 -2.987 144 HG2 LYS 19 HG2 LYS 19 -8.859 8.426 -2.623 145 HG3 LYS 19 HG3 LYS 19 -9.940 7.785 -1.385 146 HD2 LYS 19 HD2 LYS 19 -8.523 7.660 0.163 147 HD3 LYS 19 HD3 LYS 19 -7.219 6.991 -0.808 148 HE2 LYS 19 HE2 LYS 19 -7.319 9.594 -1.748 149 HE3 LYS 19 HE3 LYS 19 -8.139 9.890 -0.238 150 HZ1 LYS 19 HZ1 LYS 19 -6.113 9.252 0.953 151 HZ2 LYS 19 HZ2 LYS 19 -5.723 10.341 -0.164 152 HZ3 LYS 19 HZ3 LYS 19 -5.348 8.793 -0.454 153 H LEU 20 H LEU 20 -11.187 5.441 -1.032 154 HA LEU 20 HA LEU 20 -10.652 6.263 1.685 155 HB2 LEU 20 HB2 LEU 20 -13.320 5.485 0.418 156 HB3 LEU 20 HB3 LEU 20 -13.091 6.456 1.822 157 HG LEU 20 HG LEU 20 -13.748 7.953 0.308 158 HD11 LEU 20 HD11 LEU 20 -10.721 8.175 0.536 159 HD12 LEU 20 HD12 LEU 20 -11.982 8.938 1.506 160 HD13 LEU 20 HD13 LEU 20 -11.756 9.419 -0.188 161 HD21 LEU 20 HD21 LEU 20 -13.174 8.131 -1.889 162 HD22 LEU 20 HD22 LEU 20 -13.452 6.421 -1.595 163 HD23 LEU 20 HD23 LEU 20 -11.805 6.994 -1.809 164 H LEU 21 H LEU 21 -11.662 3.455 0.051 165 HA LEU 21 HA LEU 21 -12.462 1.545 2.020 166 HB2 LEU 21 HB2 LEU 21 -12.884 1.157 -0.262 167 HB3 LEU 21 HB3 LEU 21 -11.280 1.638 -0.693 168 HG LEU 21 HG LEU 21 -11.718 -0.634 -1.271 169 HD11 LEU 21 HD11 LEU 21 -9.339 -0.118 -0.747 170 HD12 LEU 21 HD12 LEU 21 -9.826 -1.800 -0.564 171 HD13 LEU 21 HD13 LEU 21 -9.590 -0.818 0.871 172 HD21 LEU 21 HD21 LEU 21 -13.217 -1.143 0.669 173 HD22 LEU 21 HD22 LEU 21 -11.754 -1.219 1.710 174 HD23 LEU 21 HD23 LEU 21 -11.977 -2.377 0.368 175 H LEU 22 H LEU 22 -9.123 2.425 0.683 176 HA LEU 22 HA LEU 22 -8.074 0.314 2.435 177 HB2 LEU 22 HB2 LEU 22 -6.820 0.873 0.409 178 HB3 LEU 22 HB3 LEU 22 -6.598 2.536 0.954 179 HG LEU 22 HG LEU 22 -5.207 1.785 2.850 180 HD11 LEU 22 HD11 LEU 22 -5.690 -1.029 1.799 181 HD12 LEU 22 HD12 LEU 22 -6.165 -0.398 3.382 182 HD13 LEU 22 HD13 LEU 22 -4.460 -0.588 3.009 183 HD21 LEU 22 HD21 LEU 22 -4.394 0.643 0.166 184 HD22 LEU 22 HD22 LEU 22 -3.298 0.789 1.561 185 HD23 LEU 22 HD23 LEU 22 -3.996 2.234 0.845 186 H ASN 23 H ASN 23 -8.376 3.778 2.453 187 HA ASN 23 HA ASN 23 -7.041 4.419 4.864 188 HB2 ASN 23 HB2 ASN 23 -9.146 5.669 3.071 189 HB3 ASN 23 HB3 ASN 23 -8.593 6.499 4.442 190 HD21 ASN 23 HD21 ASN 23 -8.232 7.468 1.928 191 HD22 ASN 23 HD22 ASN 23 -6.537 7.363 1.506 192 H ILE 24 H ILE 24 -10.350 3.183 4.512 193 HA ILE 24 HA ILE 24 -10.773 3.517 7.444 194 HB ILE 24 HB ILE 24 -12.917 2.537 7.166 195 HG12 ILE 24 HG12 ILE 24 -12.084 1.933 4.332 196 HG13 ILE 24 HG13 ILE 24 -12.574 0.819 5.573 197 HG21 ILE 24 HG21 ILE 24 -12.550 4.648 5.019 198 HG22 ILE 24 HG22 ILE 24 -14.012 4.293 5.953 199 HG23 ILE 24 HG23 ILE 24 -12.594 4.958 6.760 200 HD11 ILE 24 HD11 ILE 24 -14.384 2.782 4.117 201 HD12 ILE 24 HD12 ILE 24 -14.365 1.017 3.982 202 HD13 ILE 24 HD13 ILE 24 -14.895 1.776 5.498 203 H LEU 25 H LEU 25 -9.775 1.009 5.164 204 HA LEU 25 HA LEU 25 -10.125 -1.194 6.935 205 HB2 LEU 25 HB2 LEU 25 -10.038 -1.320 4.502 206 HB3 LEU 25 HB3 LEU 25 -8.371 -0.755 4.498 207 HG LEU 25 HG LEU 25 -7.647 -2.837 5.648 208 HD11 LEU 25 HD11 LEU 25 -9.239 -4.753 5.736 209 HD12 LEU 25 HD12 LEU 25 -10.563 -3.659 5.267 210 HD13 LEU 25 HD13 LEU 25 -9.726 -3.446 6.821 211 HD21 LEU 25 HD21 LEU 25 -7.959 -4.313 3.707 212 HD22 LEU 25 HD22 LEU 25 -7.613 -2.655 3.186 213 HD23 LEU 25 HD23 LEU 25 -9.275 -3.276 3.110 214 H ILE 26 H ILE 26 -7.474 1.107 6.522 215 HA ILE 26 HA ILE 26 -5.671 -0.288 8.368 216 HB ILE 26 HB ILE 26 -4.141 1.519 8.044 217 HG12 ILE 26 HG12 ILE 26 -6.205 2.959 6.340 218 HG13 ILE 26 HG13 ILE 26 -5.879 3.383 8.016 219 HG21 ILE 26 HG21 ILE 26 -5.370 0.727 5.386 220 HG22 ILE 26 HG22 ILE 26 -3.697 1.237 5.683 221 HG23 ILE 26 HG23 ILE 26 -4.293 -0.279 6.366 222 HD11 ILE 26 HD11 ILE 26 -4.624 4.869 6.608 223 HD12 ILE 26 HD12 ILE 26 -3.488 3.793 7.449 224 HD13 ILE 26 HD13 ILE 26 -3.880 3.525 5.729 225 H ASN 27 H ASN 27 -4.554 1.535 9.911 226 HA ASN 27 HA ASN 27 -6.080 1.351 12.240 227 HB2 ASN 27 HB2 ASN 27 -4.202 2.645 13.248 228 HB3 ASN 27 HB3 ASN 27 -3.679 1.296 12.253 229 HD21 ASN 27 HD21 ASN 27 -2.322 1.734 10.420 230 HD22 ASN 27 HD22 ASN 27 -1.851 3.374 10.026 231 H HIS 28 H HIS 28 -5.774 4.278 10.176 232 HA HIS 28 HA HIS 28 -7.989 5.530 11.682 233 HB2 HIS 28 HB2 HIS 28 -5.265 6.824 11.248 234 HB3 HIS 28 HB3 HIS 28 -6.709 7.711 11.714 235 HD1 HIS 28 HD1 HIS 28 -7.869 6.546 14.166 236 HD2 HIS 28 HD2 HIS 28 -3.759 6.288 13.300 237 HE1 HIS 28 HE1 HIS 28 -6.699 6.114 16.386 238 H GLU 29 H GLU 29 -9.100 7.158 10.600 239 HA GLU 29 HA GLU 29 -9.517 6.639 7.824 240 HB2 GLU 29 HB2 GLU 29 -10.671 8.750 9.674 241 HB3 GLU 29 HB3 GLU 29 -11.240 8.419 8.030 242 HG2 GLU 29 HG2 GLU 29 -11.768 6.086 8.668 243 HG3 GLU 29 HG3 GLU 29 -11.209 6.392 10.311 244 H TYR 30 H TYR 30 -7.642 7.102 6.729 245 HA TYR 30 HA TYR 30 -6.131 9.406 7.138 246 HB2 TYR 30 HB2 TYR 30 -5.335 7.187 6.399 247 HB3 TYR 30 HB3 TYR 30 -6.088 7.459 4.824 248 HD1 TYR 30 HD2 TYR 30 -3.809 9.402 7.146 249 HD2 TYR 30 HD1 TYR 30 -4.593 8.048 3.125 250 HE1 TYR 30 HE2 TYR 30 -1.758 10.543 6.363 251 HE2 TYR 30 HE1 TYR 30 -2.486 9.091 2.359 252 HH TYR 30 HH TYR 30 -0.303 10.858 4.609 253 H ALA 31 H ALA 31 -8.468 8.921 4.445 254 HA ALA 31 HA ALA 31 -7.656 10.745 2.642 255 HB1 ALA 31 HB1 ALA 31 -10.520 10.293 3.549 256 HB2 ALA 31 HB2 ALA 31 -10.009 10.951 1.983 257 HB3 ALA 31 HB3 ALA 31 -9.596 9.273 2.410 258 H ILE 32 H ILE 32 -9.590 11.668 5.568 259 HA ILE 32 HA ILE 32 -9.654 14.403 4.760 260 HB ILE 32 HB ILE 32 -10.184 13.171 7.476 261 HG12 ILE 32 HG12 ILE 32 -11.747 12.425 5.694 262 HG13 ILE 32 HG13 ILE 32 -12.520 13.408 6.930 263 HG21 ILE 32 HG21 ILE 32 -10.538 16.009 6.457 264 HG22 ILE 32 HG22 ILE 32 -11.452 15.371 7.817 265 HG23 ILE 32 HG23 ILE 32 -9.642 15.449 7.876 266 HD11 ILE 32 HD11 ILE 32 -13.241 13.895 4.543 267 HD12 ILE 32 HD12 ILE 32 -12.716 15.294 5.480 268 HD13 ILE 32 HD13 ILE 32 -11.657 14.575 4.252 269 H GLU 33 H GLU 33 -7.160 12.668 6.465 270 HA GLU 33 HA GLU 33 -5.899 14.993 7.475 271 HB2 GLU 33 HB2 GLU 33 -5.189 12.634 8.029 272 HB3 GLU 33 HB3 GLU 33 -4.436 12.518 6.424 273 HG2 GLU 33 HG2 GLU 33 -3.015 14.488 6.984 274 HG3 GLU 33 HG3 GLU 33 -3.707 14.523 8.604 275 H LEU 34 H LEU 34 -5.716 13.416 4.275 276 HA LEU 34 HA LEU 34 -4.076 15.323 2.927 277 HB2 LEU 34 HB2 LEU 34 -6.137 13.250 2.120 278 HB3 LEU 34 HB3 LEU 34 -5.598 14.417 0.941 279 HG LEU 34 HG LEU 34 -4.498 12.193 0.928 280 HD11 LEU 34 HD11 LEU 34 -2.584 14.525 1.399 281 HD12 LEU 34 HD12 LEU 34 -3.430 14.190 -0.124 282 HD13 LEU 34 HD13 LEU 34 -2.232 13.041 0.492 283 HD21 LEU 34 HD21 LEU 34 -4.271 11.770 3.296 284 HD22 LEU 34 HD22 LEU 34 -3.067 13.085 3.428 285 HD23 LEU 34 HD23 LEU 34 -2.722 11.669 2.428 286 H LEU 35 H LEU 35 -7.676 15.216 3.431 287 HA LEU 35 HA LEU 35 -8.312 17.442 1.866 288 HB2 LEU 35 HB2 LEU 35 -10.016 16.077 3.070 289 HB3 LEU 35 HB3 LEU 35 -9.473 16.712 4.592 290 HG LEU 35 HG LEU 35 -10.186 18.940 4.133 291 HD11 LEU 35 HD11 LEU 35 -11.517 18.135 1.551 292 HD12 LEU 35 HD12 LEU 35 -9.914 18.888 1.572 293 HD13 LEU 35 HD13 LEU 35 -11.307 19.720 2.256 294 HD21 LEU 35 HD21 LEU 35 -11.797 17.440 5.132 295 HD22 LEU 35 HD22 LEU 35 -12.323 16.871 3.534 296 HD23 LEU 35 HD23 LEU 35 -12.624 18.542 4.031 297 H SER 36 H SER 36 -7.392 17.528 5.416 298 HA SER 36 HA SER 36 -7.480 20.326 5.709 299 HB2 SER 36 HB2 SER 36 -5.722 18.370 7.218 300 HB3 SER 36 HB3 SER 36 -6.212 19.991 7.745 301 HG SER 36 HG SER 36 -7.808 17.662 7.447 302 H SER 37 H SER 37 -4.692 18.189 4.854 303 HA SER 37 HA SER 37 -2.794 20.295 4.921 304 HB2 SER 37 HB2 SER 37 -1.268 18.916 3.744 305 HB3 SER 37 HB3 SER 37 -2.119 17.969 4.972 306 HG SER 37 HG SER 37 -1.890 16.899 2.934 307 H GLU 38 H GLU 38 -4.880 18.976 2.412 308 HA GLU 38 HA GLU 38 -3.946 20.479 0.152 309 HB2 GLU 38 HB2 GLU 38 -6.432 18.845 0.747 310 HB3 GLU 38 HB3 GLU 38 -6.335 19.702 -0.727 311 HG2 GLU 38 HG2 GLU 38 -4.167 17.748 0.109 312 HG3 GLU 38 HG3 GLU 38 -5.591 17.304 -0.827 313 H ILE 39 H ILE 39 -6.843 21.030 2.223 314 HA ILE 39 HA ILE 39 -7.752 23.333 0.763 315 HB ILE 39 HB ILE 39 -9.008 23.909 2.790 316 HG12 ILE 39 HG12 ILE 39 -9.025 21.658 4.405 317 HG13 ILE 39 HG13 ILE 39 -7.317 21.868 4.063 318 HG21 ILE 39 HG21 ILE 39 -9.949 22.395 1.046 319 HG22 ILE 39 HG22 ILE 39 -9.196 21.023 1.886 320 HG23 ILE 39 HG23 ILE 39 -10.521 21.930 2.645 321 HD11 ILE 39 HD11 ILE 39 -7.903 23.045 6.116 322 HD12 ILE 39 HD12 ILE 39 -7.542 24.275 4.891 323 HD13 ILE 39 HD13 ILE 39 -9.226 23.900 5.300 324 H ASN 40 H ASN 40 -5.621 22.986 3.641 325 HA ASN 40 HA ASN 40 -5.194 25.862 3.628 326 HB2 ASN 40 HB2 ASN 40 -3.900 25.713 5.416 327 HB3 ASN 40 HB3 ASN 40 -4.830 24.234 5.603 328 HD21 ASN 40 HD21 ASN 40 -3.723 22.273 5.449 329 HD22 ASN 40 HD22 ASN 40 -1.964 22.196 5.352 330 H ASP 41 H ASP 41 -3.583 23.341 1.743 331 HA ASP 41 HA ASP 41 -1.374 25.055 0.936 332 HB2 ASP 41 HB2 ASP 41 -1.575 22.475 0.774 333 HB3 ASP 41 HB3 ASP 41 -2.475 22.768 -0.713 334 H ILE 42 H ILE 42 -4.733 24.788 -0.019 335 HA ILE 42 HA ILE 42 -4.345 26.614 -2.346 336 HB ILE 42 HB ILE 42 -6.765 25.228 -1.176 337 HG12 ILE 42 HG12 ILE 42 -6.940 24.505 -3.609 338 HG13 ILE 42 HG13 ILE 42 -5.403 25.289 -3.916 339 HG21 ILE 42 HG21 ILE 42 -7.584 27.477 -1.723 340 HG22 ILE 42 HG22 ILE 42 -6.774 27.412 -3.309 341 HG23 ILE 42 HG23 ILE 42 -8.136 26.333 -2.938 342 HD11 ILE 42 HD11 ILE 42 -5.958 22.921 -2.103 343 HD12 ILE 42 HD12 ILE 42 -5.046 22.899 -3.625 344 HD13 ILE 42 HD13 ILE 42 -4.358 23.675 -2.212 345 H GLU 43 H GLU 43 -5.812 26.778 0.874 346 HA GLU 43 HA GLU 43 -6.719 29.452 0.701 347 HB2 GLU 43 HB2 GLU 43 -7.282 27.635 2.422 348 HB3 GLU 43 HB3 GLU 43 -5.823 28.075 3.270 349 HG2 GLU 43 HG2 GLU 43 -7.744 29.184 4.283 350 HG3 GLU 43 HG3 GLU 43 -6.639 30.368 3.617 351 H THR 44 H THR 44 -3.721 28.255 2.160 352 HA THR 44 HA THR 44 -2.613 31.049 2.182 353 HB THR 44 HB THR 44 -3.066 30.351 4.438 354 HG1 THR 44 HG1 THR 44 -1.261 31.607 4.157 355 HG21 THR 44 HG21 THR 44 -1.249 27.974 3.888 356 HG22 THR 44 HG22 THR 44 -2.955 27.957 4.394 357 HG23 THR 44 HG23 THR 44 -1.716 28.540 5.506 358 H GLY 45 H GLY 45 -1.774 27.603 1.562 359 HA2 GLY 45 HA2 GLY 45 0.873 28.133 0.613 360 HA3 GLY 45 HA3 GLY 45 -0.134 26.763 0.151 361 H THR 46 H THR 46 -2.209 28.706 -0.936 362 HA THR 46 HA THR 46 -2.862 29.681 -2.807 363 HB THR 46 HB THR 46 -0.165 30.923 -3.317 364 HG1 THR 46 HG1 THR 46 -0.674 31.128 -1.081 365 HG21 THR 46 HG21 THR 46 -1.600 32.867 -3.901 366 HG22 THR 46 HG22 THR 46 -3.051 31.917 -3.503 367 HG23 THR 46 HG23 THR 46 -2.036 31.466 -4.888 368 H LYS 47 H LYS 47 -2.204 27.050 -3.096 369 HA LYS 47 HA LYS 47 -1.215 26.574 -5.813 370 HB2 LYS 47 HB2 LYS 47 -3.148 24.994 -4.063 371 HB3 LYS 47 HB3 LYS 47 -2.513 24.452 -5.599 372 HG2 LYS 47 HG2 LYS 47 -1.007 24.851 -3.004 373 HG3 LYS 47 HG3 LYS 47 -1.342 23.344 -3.824 374 HD2 LYS 47 HD2 LYS 47 0.542 25.549 -4.751 375 HD3 LYS 47 HD3 LYS 47 1.017 24.023 -4.035 376 HE2 LYS 47 HE2 LYS 47 -0.467 24.275 -6.694 377 HE3 LYS 47 HE3 LYS 47 1.283 24.127 -6.530 378 HZ1 LYS 47 HZ1 LYS 47 0.951 21.972 -5.450 379 HZ2 LYS 47 HZ2 LYS 47 0.284 21.967 -6.938 380 HZ3 LYS 47 HZ3 LYS 47 -0.670 22.081 -5.618 381 H ASN 48 H ASN 48 -2.412 26.424 -7.728 382 HA ASN 48 HA ASN 48 -5.257 27.189 -7.768 383 HB2 ASN 48 HB2 ASN 48 -4.074 29.363 -7.677 384 HB3 ASN 48 HB3 ASN 48 -3.077 28.894 -9.055 385 HD21 ASN 48 HD22 ASN 48 -3.792 29.828 -10.951 386 HD22 ASN 48 HD21 ASN 48 -5.480 30.164 -11.303 387 H VAL 49 H VAL 49 -6.340 26.391 -9.466 388 HA VAL 49 HA VAL 49 -5.288 25.752 -12.050 389 HB VAL 49 HB VAL 49 -4.312 23.811 -11.067 390 HG11 VAL 49 HG11 VAL 49 -5.508 23.673 -8.954 391 HG12 VAL 49 HG12 VAL 49 -6.996 23.208 -9.820 392 HG13 VAL 49 HG13 VAL 49 -5.568 22.125 -9.790 393 HG21 VAL 49 HG21 VAL 49 -5.534 23.411 -13.216 394 HG22 VAL 49 HG22 VAL 49 -5.356 21.961 -12.190 395 HG23 VAL 49 HG23 VAL 49 -6.912 22.807 -12.271 396 H ASP 50 H ASP 50 -7.078 24.675 -13.393 397 HA ASP 50 HA ASP 50 -9.144 26.565 -13.231 398 HB2 ASP 50 HB2 ASP 50 -8.054 25.743 -15.304 399 HB3 ASP 50 HB3 ASP 50 -8.836 24.179 -15.079 400 H GLY 51 H GLY 51 -9.194 23.377 -12.105 401 HA2 GLY 51 HA2 GLY 51 -11.565 23.674 -10.596 402 HA3 GLY 51 HA3 GLY 51 -12.016 22.799 -12.042 403 H THR 52 H THR 52 -9.101 21.610 -11.957 404 HA THR 52 HA THR 52 -9.515 19.140 -10.806 405 HB THR 52 HB THR 52 -7.028 20.855 -11.082 406 HG1 THR 52 HG1 THR 52 -6.756 19.523 -12.905 407 HG21 THR 52 HG21 THR 52 -6.530 19.106 -9.442 408 HG22 THR 52 HG22 THR 52 -5.726 18.783 -10.986 409 HG23 THR 52 HG23 THR 52 -7.209 17.872 -10.534 410 H THR 53 H THR 53 -7.757 21.862 -9.069 411 HA THR 53 HA THR 53 -7.815 20.481 -6.620 412 HB THR 53 HB THR 53 -6.270 22.324 -7.183 413 HG1 THR 53 HG1 THR 53 -6.430 21.631 -5.113 414 HG21 THR 53 HG21 THR 53 -8.035 24.028 -7.972 415 HG22 THR 53 HG22 THR 53 -6.807 24.618 -6.837 416 HG23 THR 53 HG23 THR 53 -8.436 24.252 -6.255 417 H TYR 54 H TYR 54 -10.094 22.999 -7.788 418 HA TYR 54 HA TYR 54 -11.857 23.234 -5.629 419 HB2 TYR 54 HB2 TYR 54 -12.435 22.959 -8.622 420 HB3 TYR 54 HB3 TYR 54 -13.677 23.259 -7.443 421 HD1 TYR 54 HD2 TYR 54 -10.550 24.723 -8.905 422 HD2 TYR 54 HD1 TYR 54 -14.035 25.397 -6.450 423 HE1 TYR 54 HE2 TYR 54 -10.119 27.174 -8.975 424 HE2 TYR 54 HE1 TYR 54 -13.603 27.854 -6.520 425 HH TYR 54 HH TYR 54 -12.250 29.529 -7.305 426 H LYS 55 H LYS 55 -12.045 20.799 -8.268 427 HA LYS 55 HA LYS 55 -14.017 19.263 -7.176 428 HB2 LYS 55 HB2 LYS 55 -13.367 19.391 -9.527 429 HB3 LYS 55 HB3 LYS 55 -11.852 18.643 -9.224 430 HG2 LYS 55 HG2 LYS 55 -13.305 16.712 -9.758 431 HG3 LYS 55 HG3 LYS 55 -13.504 16.756 -8.042 432 HD2 LYS 55 HD2 LYS 55 -15.318 18.678 -8.608 433 HD3 LYS 55 HD3 LYS 55 -15.371 17.842 -10.147 434 HE2 LYS 55 HE2 LYS 55 -15.772 15.657 -8.963 435 HE3 LYS 55 HE3 LYS 55 -15.816 16.529 -7.427 436 HZ1 LYS 55 HZ1 LYS 55 -17.742 17.785 -8.282 437 HZ2 LYS 55 HZ2 LYS 55 -18.057 16.183 -8.306 438 HZ3 LYS 55 HZ3 LYS 55 -17.698 16.961 -9.693 439 H LYS 56 H LYS 56 -10.473 18.747 -6.800 440 HA LYS 56 HA LYS 56 -10.729 16.479 -5.082 441 HB2 LYS 56 HB2 LYS 56 -8.561 18.536 -5.362 442 HB3 LYS 56 HB3 LYS 56 -8.554 17.451 -3.965 443 HG2 LYS 56 HG2 LYS 56 -7.230 16.348 -5.532 444 HG3 LYS 56 HG3 LYS 56 -8.773 15.522 -5.677 445 HD2 LYS 56 HD2 LYS 56 -9.291 16.883 -7.680 446 HD3 LYS 56 HD3 LYS 56 -7.768 17.791 -7.492 447 HE2 LYS 56 HE2 LYS 56 -7.924 14.808 -7.741 448 HE3 LYS 56 HE3 LYS 56 -7.842 15.857 -9.174 449 HZ1 LYS 56 HZ1 LYS 56 -5.781 15.609 -7.047 450 HZ2 LYS 56 HZ2 LYS 56 -5.684 16.684 -8.288 451 HZ3 LYS 56 HZ3 LYS 56 -5.642 15.073 -8.569 452 H LEU 57 H LEU 57 -10.816 19.928 -4.011 453 HA LEU 57 HA LEU 57 -11.015 19.111 -1.218 454 HB2 LEU 57 HB2 LEU 57 -11.851 21.737 -2.353 455 HB3 LEU 57 HB3 LEU 57 -11.348 21.424 -0.705 456 HG LEU 57 HG LEU 57 -9.570 21.470 -3.171 457 HD11 LEU 57 HD11 LEU 57 -8.542 23.426 -2.188 458 HD12 LEU 57 HD12 LEU 57 -9.698 23.391 -0.845 459 HD13 LEU 57 HD13 LEU 57 -10.265 23.680 -2.495 460 HD21 LEU 57 HD21 LEU 57 -8.691 19.799 -1.675 461 HD22 LEU 57 HD22 LEU 57 -8.759 20.937 -0.318 462 HD23 LEU 57 HD23 LEU 57 -7.671 21.244 -1.684 463 H VAL 58 H VAL 58 -13.429 20.020 -3.711 464 HA VAL 58 HA VAL 58 -15.634 19.808 -1.844 465 HB VAL 58 HB VAL 58 -15.501 21.274 -3.906 466 HG11 VAL 58 HG11 VAL 58 -14.943 19.325 -5.438 467 HG12 VAL 58 HG12 VAL 58 -16.651 18.896 -5.413 468 HG13 VAL 58 HG13 VAL 58 -16.125 20.486 -6.036 469 HG21 VAL 58 HG21 VAL 58 -17.538 21.037 -2.557 470 HG22 VAL 58 HG22 VAL 58 -17.889 21.264 -4.277 471 HG23 VAL 58 HG23 VAL 58 -18.031 19.646 -3.563 472 H THR 59 H THR 59 -14.010 17.447 -3.912 473 HA THR 59 HA THR 59 -16.224 15.518 -3.764 474 HB THR 59 HB THR 59 -14.509 15.529 -5.598 475 HG1 THR 59 HG1 THR 59 -15.834 13.800 -5.443 476 HG21 THR 59 HG21 THR 59 -12.499 15.676 -4.364 477 HG22 THR 59 HG22 THR 59 -12.493 14.136 -5.228 478 HG23 THR 59 HG23 THR 59 -12.778 14.191 -3.480 479 H LEU 60 H LEU 60 -13.269 16.150 -1.976 480 HA LEU 60 HA LEU 60 -12.985 13.998 -0.239 481 HB2 LEU 60 HB2 LEU 60 -12.461 16.887 -0.038 482 HB3 LEU 60 HB3 LEU 60 -12.669 16.053 1.497 483 HG LEU 60 HG LEU 60 -10.393 16.240 0.963 484 HD11 LEU 60 HD11 LEU 60 -11.164 14.146 2.119 485 HD12 LEU 60 HD12 LEU 60 -9.554 14.176 1.382 486 HD13 LEU 60 HD13 LEU 60 -10.896 13.308 0.570 487 HD21 LEU 60 HD21 LEU 60 -9.343 14.860 -0.882 488 HD22 LEU 60 HD22 LEU 60 -10.061 16.426 -1.212 489 HD23 LEU 60 HD23 LEU 60 -10.976 14.940 -1.632 490 H TYR 61 H TYR 61 -15.019 16.843 0.496 491 HA TYR 61 HA TYR 61 -16.441 15.476 2.649 492 HB2 TYR 61 HB2 TYR 61 -17.381 17.399 3.210 493 HB3 TYR 61 HB3 TYR 61 -16.247 18.134 2.067 494 HD1 TYR 61 HD2 TYR 61 -17.096 18.829 -0.215 495 HD2 TYR 61 HD1 TYR 61 -19.756 17.308 2.799 496 HE1 TYR 61 HE2 TYR 61 -19.072 19.493 -1.590 497 HE2 TYR 61 HE1 TYR 61 -21.704 18.034 1.474 498 HH TYR 61 HH TYR 61 -21.362 19.495 -1.774 499 H ASP 62 H ASP 62 -17.212 16.081 -0.737 500 HA ASP 62 HA ASP 62 -19.891 15.224 -0.662 501 HB2 ASP 62 HB2 ASP 62 -18.815 16.457 -2.556 502 HB3 ASP 62 HB3 ASP 62 -18.110 14.915 -3.083 503 H ARG 63 H ARG 63 -17.072 13.174 -0.385 504 HA ARG 63 HA ARG 63 -19.114 10.970 -0.133 505 HB2 ARG 63 HB2 ARG 63 -16.198 10.533 -0.803 506 HB3 ARG 63 HB3 ARG 63 -17.353 9.279 -0.373 507 HG2 ARG 63 HG2 ARG 63 -17.442 11.014 -2.859 508 HG3 ARG 63 HG3 ARG 63 -17.074 9.279 -2.703 509 HD2 ARG 63 HD2 ARG 63 -19.247 8.660 -2.240 510 HD3 ARG 63 HD3 ARG 63 -19.807 10.309 -1.975 511 HE ARG 63 HE ARG 63 -19.435 8.951 -4.544 512 HH11 ARG 63 HH11 ARG 63 -20.092 12.009 -2.995 513 HH12 ARG 63 HH12 ARG 63 -20.337 12.850 -4.498 514 HH21 ARG 63 HH21 ARG 63 -19.917 10.053 -6.470 515 HH22 ARG 63 HH22 ARG 63 -20.459 11.702 -6.366 516 H PHE 64 H PHE 64 -16.428 12.535 1.626 517 HA PHE 64 HA PHE 64 -16.515 10.640 3.765 518 HB2 PHE 64 HB2 PHE 64 -14.633 12.038 3.567 519 HB3 PHE 64 HB3 PHE 64 -15.618 13.496 3.513 520 HD1 PHE 64 HD2 PHE 64 -14.510 10.693 5.792 521 HD2 PHE 64 HD1 PHE 64 -16.186 14.638 5.524 522 HE1 PHE 64 HE2 PHE 64 -14.286 10.965 8.254 523 HE2 PHE 64 HE1 PHE 64 -15.969 14.930 7.977 524 HZ PHE 64 HZ PHE 64 -15.013 13.072 9.354 525 H ARG 65 H ARG 65 -18.350 13.732 3.397 526 HA ARG 65 HA ARG 65 -19.552 13.563 6.030 527 HB2 ARG 65 HB2 ARG 65 -19.839 15.236 3.490 528 HB3 ARG 65 HB3 ARG 65 -20.942 15.485 4.751 529 HG2 ARG 65 HG2 ARG 65 -17.967 15.721 5.014 530 HG3 ARG 65 HG3 ARG 65 -19.047 17.101 4.835 531 HD2 ARG 65 HD2 ARG 65 -19.281 15.191 7.160 532 HD3 ARG 65 HD3 ARG 65 -18.223 16.593 7.202 533 HE ARG 65 HE ARG 65 -20.050 18.042 7.313 534 HH11 ARG 65 HH11 ARG 65 -21.390 14.777 7.073 535 HH12 ARG 65 HH12 ARG 65 -22.947 15.345 7.584 536 HH21 ARG 65 HH22 ARG 65 -21.977 18.626 7.920 537 HH22 ARG 65 HH21 ARG 65 -23.289 17.476 8.040 538 H PHE 66 H PHE 66 -20.413 12.705 2.910 539 HA PHE 66 HA PHE 66 -23.151 11.788 3.615 540 HB2 PHE 66 HB2 PHE 66 -21.787 12.041 0.925 541 HB3 PHE 66 HB3 PHE 66 -23.447 11.536 1.159 542 HD1 PHE 66 HD1 PHE 66 -24.506 13.447 3.189 543 HD2 PHE 66 HD2 PHE 66 -21.889 14.097 -0.179 544 HE1 PHE 66 HE1 PHE 66 -25.250 15.804 3.059 545 HE2 PHE 66 HE2 PHE 66 -22.646 16.445 -0.316 546 HZ PHE 66 HZ PHE 66 -24.329 17.312 1.305 547 H GLU 67 H GLU 67 -20.562 10.156 1.690 548 HA GLU 67 HA GLU 67 -22.204 7.707 1.751 549 HB2 GLU 67 HB2 GLU 67 -19.775 8.570 0.072 550 HB3 GLU 67 HB3 GLU 67 -20.434 6.954 0.061 551 HG2 GLU 67 HG2 GLU 67 -21.868 9.506 -0.721 552 HG3 GLU 67 HG3 GLU 67 -21.343 8.214 -1.800 553 H ASN 68 H ASN 68 -19.008 8.608 2.757 554 HA ASN 68 HA ASN 68 -18.067 5.878 3.140 555 HB2 ASN 68 HB2 ASN 68 -16.737 8.400 4.212 556 HB3 ASN 68 HB3 ASN 68 -16.006 6.815 3.897 557 HD21 ASN 68 HD22 ASN 68 -17.149 6.330 1.312 558 HD22 ASN 68 HD21 ASN 68 -16.065 7.294 0.329 559 H1 GLY 1 H1 GLY 1 -16.097 12.670 34.971 560 H2 GLY 1 H2 GLY 1 -16.229 11.312 34.066 561 H3 GLY 1 H3 GLY 1 -17.248 11.558 35.326 562 HA2 GLY 1 HA2 GLY 1 -18.390 11.979 33.251 563 HA3 GLY 1 HA3 GLY 1 -18.262 13.443 34.244 564 H SER 2 H SER 2 -18.655 13.387 31.408 565 HA SER 2 HA SER 2 -16.255 13.827 29.925 566 HB2 SER 2 HB2 SER 2 -19.069 14.831 29.361 567 HB3 SER 2 HB3 SER 2 -17.737 14.723 28.195 568 HG SER 2 HG SER 2 -19.157 12.904 28.092 569 H HIS 3 H HIS 3 -15.319 15.702 29.100 570 HA HIS 3 HA HIS 3 -15.336 18.049 30.812 571 HB2 HIS 3 HB2 HIS 3 -13.350 16.952 29.535 572 HB3 HIS 3 HB3 HIS 3 -13.917 17.856 28.126 573 HD1 HIS 3 HD1 HIS 3 -13.590 20.554 28.285 574 HD2 HIS 3 HD2 HIS 3 -12.357 18.315 31.634 575 HE1 HIS 3 HE1 HIS 3 -12.282 22.161 29.795 576 H MET 4 H MET 4 -15.460 20.278 29.845 577 HA MET 4 HA MET 4 -17.852 20.705 28.165 578 HB2 MET 4 HB2 MET 4 -15.876 22.631 29.456 579 HB3 MET 4 HB3 MET 4 -17.275 23.128 28.509 580 HG2 MET 4 HG2 MET 4 -17.347 21.524 31.091 581 HG3 MET 4 HG3 MET 4 -17.713 23.234 30.928 582 HE1 MET 4 HE1 MET 4 -19.575 23.446 28.317 583 HE2 MET 4 HE2 MET 4 -21.158 23.292 29.103 584 HE3 MET 4 HE3 MET 4 -19.874 24.240 29.882 585 H ARG 5 H ARG 5 -17.838 21.816 26.189 586 HA ARG 5 HA ARG 5 -15.290 21.858 24.617 587 HB2 ARG 5 HB2 ARG 5 -17.224 19.995 24.243 588 HB3 ARG 5 HB3 ARG 5 -17.903 21.247 23.253 589 HG2 ARG 5 HG2 ARG 5 -15.694 21.379 22.019 590 HG3 ARG 5 HG3 ARG 5 -15.134 19.995 22.915 591 HD2 ARG 5 HD2 ARG 5 -15.783 19.198 20.836 592 HD3 ARG 5 HD3 ARG 5 -16.878 18.568 22.034 593 HE ARG 5 HE ARG 5 -17.666 21.027 20.482 594 HH11 ARG 5 HH11 ARG 5 -18.385 17.655 21.121 595 HH12 ARG 5 HH12 ARG 5 -19.979 17.796 20.434 596 HH21 ARG 5 HH21 ARG 5 -19.615 21.127 19.603 597 HH22 ARG 5 HH22 ARG 5 -20.667 19.732 19.592 598 H MET 6 H MET 6 -15.138 23.484 23.042 599 HA MET 6 HA MET 6 -17.294 25.508 23.044 600 HB2 MET 6 HB2 MET 6 -14.332 25.964 22.646 601 HB3 MET 6 HB3 MET 6 -15.555 27.232 22.761 602 HG2 MET 6 HG2 MET 6 -14.815 25.304 24.989 603 HG3 MET 6 HG3 MET 6 -14.270 26.977 24.855 604 HE1 MET 6 HE1 MET 6 -16.685 26.920 27.975 605 HE2 MET 6 HE2 MET 6 -15.683 25.563 27.414 606 HE3 MET 6 HE3 MET 6 -15.026 27.217 27.409 607 H SER 7 H SER 7 -16.701 23.278 21.114 608 HA SER 7 HA SER 7 -16.499 22.801 18.970 609 HB2 SER 7 HB2 SER 7 -18.603 24.954 18.828 610 HB3 SER 7 HB3 SER 7 -18.297 23.751 17.553 611 HG SER 7 HG SER 7 -19.940 23.285 19.276 612 H LEU 8 H LEU 8 -16.920 26.252 17.893 613 HA LEU 8 HA LEU 8 -14.125 26.153 16.966 614 HB2 LEU 8 HB2 LEU 8 -14.698 26.862 14.802 615 HB3 LEU 8 HB3 LEU 8 -15.210 25.267 15.174 616 HG LEU 8 HG LEU 8 -16.764 27.705 14.377 617 HD11 LEU 8 HD11 LEU 8 -16.197 25.837 12.832 618 HD12 LEU 8 HD12 LEU 8 -17.944 26.076 12.984 619 HD13 LEU 8 HD13 LEU 8 -17.162 24.726 13.835 620 HD21 LEU 8 HD21 LEU 8 -18.930 26.846 15.041 621 HD22 LEU 8 HD22 LEU 8 -17.949 27.264 16.445 622 HD23 LEU 8 HD23 LEU 8 -18.161 25.546 15.975 623 H ILE 9 H ILE 9 -13.562 27.479 18.520 624 HA ILE 9 HA ILE 9 -14.522 30.134 18.916 625 HB ILE 9 HB ILE 9 -11.676 29.287 19.482 626 HG12 ILE 9 HG12 ILE 9 -14.028 28.209 21.067 627 HG13 ILE 9 HG13 ILE 9 -12.929 27.259 20.116 628 HG21 ILE 9 HG21 ILE 9 -12.541 31.574 20.089 629 HG22 ILE 9 HG22 ILE 9 -13.706 30.796 21.180 630 HG23 ILE 9 HG23 ILE 9 -11.959 30.662 21.474 631 HD11 ILE 9 HD11 ILE 9 -12.222 26.982 22.330 632 HD12 ILE 9 HD12 ILE 9 -11.036 28.040 21.550 633 HD13 ILE 9 HD13 ILE 9 -12.250 28.720 22.667 634 H GLY 10 H GLY 10 -12.279 28.688 16.645 635 HA2 GLY 10 HA2 GLY 10 -11.307 29.765 14.723 636 HA3 GLY 10 HA3 GLY 10 -11.637 31.336 15.403 637 H GLU 11 H GLU 11 -10.173 29.525 17.835 638 HA GLU 11 HA GLU 11 -7.381 29.788 16.851 639 HB2 GLU 11 HB2 GLU 11 -6.810 30.417 19.316 640 HB3 GLU 11 HB3 GLU 11 -7.174 31.670 18.109 641 HG2 GLU 11 HG2 GLU 11 -9.493 31.844 19.032 642 HG3 GLU 11 HG3 GLU 11 -9.081 30.641 20.256 643 H ARG 12 H ARG 12 -9.065 28.852 19.854 644 HA ARG 12 HA ARG 12 -9.005 26.985 21.130 645 HB2 ARG 12 HB2 ARG 12 -8.659 25.146 18.864 646 HB3 ARG 12 HB3 ARG 12 -9.651 25.130 20.296 647 HG2 ARG 12 HG2 ARG 12 -11.333 25.424 18.988 648 HG3 ARG 12 HG3 ARG 12 -10.958 27.115 19.123 649 HD2 ARG 12 HD2 ARG 12 -11.314 26.553 16.761 650 HD3 ARG 12 HD3 ARG 12 -9.633 27.000 16.979 651 HE ARG 12 HE ARG 12 -10.719 24.249 16.558 652 HH11 ARG 12 HH11 ARG 12 -7.808 26.284 16.505 653 HH12 ARG 12 HH12 ARG 12 -7.081 25.238 15.338 654 HH21 ARG 12 HH21 ARG 12 -9.456 22.809 15.399 655 HH22 ARG 12 HH22 ARG 12 -7.833 23.260 14.977 656 H PHE 13 H PHE 13 -6.461 28.213 20.785 657 HA PHE 13 HA PHE 13 -4.313 26.298 20.586 658 HB2 PHE 13 HB2 PHE 13 -4.703 29.162 21.252 659 HB3 PHE 13 HB3 PHE 13 -3.492 28.413 22.238 660 HD1 PHE 13 HD1 PHE 13 -4.522 28.024 18.623 661 HD2 PHE 13 HD2 PHE 13 -1.346 28.822 21.435 662 HE1 PHE 13 HE1 PHE 13 -2.885 28.129 16.748 663 HE2 PHE 13 HE2 PHE 13 0.291 28.916 19.554 664 HZ PHE 13 HZ PHE 13 -0.482 28.566 17.214 665 H THR 14 H THR 14 -2.837 25.933 22.548 666 HA THR 14 HA THR 14 -3.726 23.955 24.065 667 HB THR 14 HB THR 14 -1.429 24.584 23.904 668 HG1 THR 14 HG1 THR 14 -0.820 24.061 25.993 669 HG21 THR 14 HG21 THR 14 -1.663 27.078 24.307 670 HG22 THR 14 HG22 THR 14 -0.343 26.288 25.179 671 HG23 THR 14 HG23 THR 14 -1.829 26.710 26.041 672 H GLU 15 H GLU 15 -3.958 27.287 25.501 673 HA GLU 15 HA GLU 15 -5.311 26.375 27.885 674 HB2 GLU 15 HB2 GLU 15 -5.009 29.067 26.491 675 HB3 GLU 15 HB3 GLU 15 -5.870 28.892 28.028 676 HG2 GLU 15 HG2 GLU 15 -2.947 28.147 27.581 677 HG3 GLU 15 HG3 GLU 15 -3.512 29.661 28.266 678 H GLU 16 H GLU 16 -6.471 27.460 24.803 679 HA GLU 16 HA GLU 16 -9.347 27.254 25.508 680 HB2 GLU 16 HB2 GLU 16 -8.066 28.137 22.896 681 HB3 GLU 16 HB3 GLU 16 -9.745 28.319 23.375 682 HG2 GLU 16 HG2 GLU 16 -7.353 29.779 24.548 683 HG3 GLU 16 HG3 GLU 16 -8.623 30.446 23.535 684 H GLU 17 H GLU 17 -7.156 25.025 24.816 685 HA GLU 17 HA GLU 17 -8.170 23.729 22.496 686 HB2 GLU 17 HB2 GLU 17 -5.844 23.657 23.418 687 HB3 GLU 17 HB3 GLU 17 -6.410 22.529 24.660 688 HG2 GLU 17 HG2 GLU 17 -6.991 20.886 22.889 689 HG3 GLU 17 HG3 GLU 17 -6.600 22.088 21.659 690 H GLN 18 H GLN 18 -9.259 23.526 25.652 691 HA GLN 18 HA GLN 18 -10.269 21.168 26.250 692 HB2 GLN 18 HB2 GLN 18 -12.116 21.887 27.372 693 HB3 GLN 18 HB3 GLN 18 -10.874 23.098 27.552 694 HG2 GLN 18 HG2 GLN 18 -13.342 23.220 25.774 695 HG3 GLN 18 HG3 GLN 18 -13.066 24.030 27.340 696 HE21 GLN 18 HE22 GLN 18 -12.843 24.470 23.965 697 HE22 GLN 18 HE21 GLN 18 -11.563 25.685 23.949 698 H LYS 19 H LYS 19 -11.545 22.954 23.572 699 HA LYS 19 HA LYS 19 -13.627 21.307 22.605 700 HB2 LYS 19 HB2 LYS 19 -13.162 23.467 21.662 701 HB3 LYS 19 HB3 LYS 19 -11.510 23.080 21.453 702 HG2 LYS 19 HG2 LYS 19 -13.044 23.291 19.449 703 HG3 LYS 19 HG3 LYS 19 -11.686 22.152 19.560 704 HD2 LYS 19 HD2 LYS 19 -12.846 20.333 19.466 705 HD3 LYS 19 HD3 LYS 19 -14.248 20.942 20.277 706 HE2 LYS 19 HE2 LYS 19 -14.482 20.237 17.766 707 HE3 LYS 19 HE3 LYS 19 -15.115 21.814 18.169 708 HZ1 LYS 19 HZ1 LYS 19 -13.282 22.875 17.232 709 HZ2 LYS 19 HZ2 LYS 19 -13.722 21.785 16.127 710 HZ3 LYS 19 HZ3 LYS 19 -12.385 21.489 17.031 711 H LEU 20 H LEU 20 -10.229 21.144 21.666 712 HA LEU 20 HA LEU 20 -10.555 18.829 19.952 713 HB2 LEU 20 HB2 LEU 20 -8.042 20.273 20.961 714 HB3 LEU 20 HB3 LEU 20 -8.093 19.154 19.657 715 HG LEU 20 HG LEU 20 -7.896 21.046 18.538 716 HD11 LEU 20 HD11 LEU 20 -10.035 21.518 17.388 717 HD12 LEU 20 HD12 LEU 20 -10.893 20.490 18.555 718 HD13 LEU 20 HD13 LEU 20 -9.657 19.788 17.525 719 HD21 LEU 20 HD21 LEU 20 -9.663 22.367 20.609 720 HD22 LEU 20 HD22 LEU 20 -9.316 23.078 19.028 721 HD23 LEU 20 HD23 LEU 20 -8.002 22.672 20.146 722 H LEU 21 H LEU 21 -9.333 19.578 23.024 723 HA LEU 21 HA LEU 21 -8.299 17.229 24.242 724 HB2 LEU 21 HB2 LEU 21 -8.102 19.371 25.249 725 HB3 LEU 21 HB3 LEU 21 -9.792 19.680 25.024 726 HG LEU 21 HG LEU 21 -9.165 19.621 27.335 727 HD11 LEU 21 HD11 LEU 21 -11.520 18.980 26.854 728 HD12 LEU 21 HD12 LEU 21 -10.847 18.365 28.357 729 HD13 LEU 21 HD13 LEU 21 -11.038 17.272 26.994 730 HD21 LEU 21 HD21 LEU 21 -8.565 17.584 28.465 731 HD22 LEU 21 HD22 LEU 21 -7.436 17.819 27.115 732 HD23 LEU 21 HD23 LEU 21 -8.776 16.631 26.969 733 H LEU 22 H LEU 22 -11.772 18.421 23.993 734 HA LEU 22 HA LEU 22 -12.549 16.079 25.572 735 HB2 LEU 22 HB2 LEU 22 -13.970 18.068 25.696 736 HB3 LEU 22 HB3 LEU 22 -14.225 18.047 23.950 737 HG LEU 22 HG LEU 22 -15.445 15.867 24.140 738 HD11 LEU 22 HD11 LEU 22 -16.173 15.042 26.317 739 HD12 LEU 22 HD12 LEU 22 -15.232 16.306 27.131 740 HD13 LEU 22 HD13 LEU 22 -14.411 15.007 26.237 741 HD21 LEU 22 HD21 LEU 22 -16.771 17.811 24.085 742 HD22 LEU 22 HD22 LEU 22 -16.461 18.183 25.795 743 HD23 LEU 22 HD23 LEU 22 -17.451 16.776 25.338 744 H ASN 23 H ASN 23 -12.630 17.061 22.243 745 HA ASN 23 HA ASN 23 -13.965 14.887 21.018 746 HB2 ASN 23 HB2 ASN 23 -12.080 17.157 20.215 747 HB3 ASN 23 HB3 ASN 23 -12.488 16.007 19.061 748 HD21 ASN 23 HD21 ASN 23 -13.170 18.630 18.870 749 HD22 ASN 23 HD22 ASN 23 -14.916 18.788 19.004 750 H ILE 24 H ILE 24 -10.525 15.247 21.751 751 HA ILE 24 HA ILE 24 -9.934 12.558 20.648 752 HB ILE 24 HB ILE 24 -7.710 12.784 21.421 753 HG12 ILE 24 HG12 ILE 24 -8.661 15.191 22.959 754 HG13 ILE 24 HG13 ILE 24 -7.916 13.745 23.566 755 HG21 ILE 24 HG21 ILE 24 -8.554 15.374 20.088 756 HG22 ILE 24 HG22 ILE 24 -6.968 14.590 20.012 757 HG23 ILE 24 HG23 ILE 24 -8.371 13.808 19.287 758 HD11 ILE 24 HD11 ILE 24 -6.541 15.929 21.955 759 HD12 ILE 24 HD12 ILE 24 -6.306 15.532 23.664 760 HD13 ILE 24 HD13 ILE 24 -5.774 14.386 22.415 761 H LEU 25 H LEU 25 -10.738 13.848 23.851 762 HA LEU 25 HA LEU 25 -9.900 11.543 25.315 763 HB2 LEU 25 HB2 LEU 25 -10.043 13.716 26.248 764 HB3 LEU 25 HB3 LEU 25 -11.763 13.861 25.929 765 HG LEU 25 HG LEU 25 -10.770 11.668 27.770 766 HD11 LEU 25 HD11 LEU 25 -11.259 14.583 28.526 767 HD12 LEU 25 HD12 LEU 25 -9.699 13.733 28.569 768 HD13 LEU 25 HD13 LEU 25 -10.995 13.243 29.668 769 HD21 LEU 25 HD21 LEU 25 -13.302 13.393 27.763 770 HD22 LEU 25 HD22 LEU 25 -12.941 12.071 28.892 771 HD23 LEU 25 HD23 LEU 25 -13.216 11.719 27.188 772 H ILE 26 H ILE 26 -12.977 12.360 23.736 773 HA ILE 26 HA ILE 26 -14.380 10.033 24.790 774 HB ILE 26 HB ILE 26 -16.224 10.662 23.403 775 HG12 ILE 26 HG12 ILE 26 -14.629 12.967 22.230 776 HG13 ILE 26 HG13 ILE 26 -14.787 11.420 21.407 777 HG21 ILE 26 HG21 ILE 26 -15.874 11.779 25.555 778 HG22 ILE 26 HG22 ILE 26 -14.994 13.088 24.750 779 HG23 ILE 26 HG23 ILE 26 -16.715 12.825 24.407 780 HD11 ILE 26 HD11 ILE 26 -17.090 13.250 22.175 781 HD12 ILE 26 HD12 ILE 26 -16.457 12.936 20.550 782 HD13 ILE 26 HD13 ILE 26 -17.257 11.630 21.450 783 H ASN 27 H ASN 27 -15.726 8.838 22.911 784 HA ASN 27 HA ASN 27 -13.966 6.742 22.328 785 HB2 ASN 27 HB2 ASN 27 -15.937 5.656 21.363 786 HB3 ASN 27 HB3 ASN 27 -16.306 6.423 22.903 787 HD21 ASN 27 HD21 ASN 27 -17.877 8.183 22.912 788 HD22 ASN 27 HD22 ASN 27 -18.731 8.598 21.440 789 H HIS 28 H HIS 28 -14.988 9.279 20.073 790 HA HIS 28 HA HIS 28 -12.762 8.479 18.366 791 HB2 HIS 28 HB2 HIS 28 -13.906 8.406 16.284 792 HB3 HIS 28 HB3 HIS 28 -14.662 7.238 17.349 793 HD1 HIS 28 HD1 HIS 28 -15.397 10.848 16.034 794 HD2 HIS 28 HD2 HIS 28 -17.269 7.333 17.409 795 HE1 HIS 28 HE1 HIS 28 -17.895 11.184 15.684 796 H GLU 29 H GLU 29 -12.036 10.115 16.915 797 HA GLU 29 HA GLU 29 -12.119 12.773 17.923 798 HB2 GLU 29 HB2 GLU 29 -11.205 11.721 15.212 799 HB3 GLU 29 HB3 GLU 29 -10.933 13.346 15.821 800 HG2 GLU 29 HG2 GLU 29 -8.921 12.172 16.181 801 HG3 GLU 29 HG3 GLU 29 -9.668 12.442 17.751 802 H TYR 30 H TYR 30 -12.957 14.711 17.043 803 HA TYR 30 HA TYR 30 -15.375 14.385 15.309 804 HB2 TYR 30 HB2 TYR 30 -15.965 14.182 17.712 805 HB3 TYR 30 HB3 TYR 30 -15.231 15.770 17.994 806 HD1 TYR 30 HD1 TYR 30 -17.584 14.380 15.360 807 HD2 TYR 30 HD2 TYR 30 -16.885 17.387 18.377 808 HE1 TYR 30 HE1 TYR 30 -19.649 15.543 14.668 809 HE2 TYR 30 HE2 TYR 30 -18.969 18.544 17.690 810 HH TYR 30 HH TYR 30 -21.095 17.286 15.090 811 H ALA 31 H ALA 31 -13.389 17.011 16.871 812 HA ALA 31 HA ALA 31 -13.724 19.155 15.498 813 HB1 ALA 31 HB1 ALA 31 -11.260 19.474 15.492 814 HB2 ALA 31 HB2 ALA 31 -11.896 18.797 17.017 815 HB3 ALA 31 HB3 ALA 31 -11.064 17.748 15.848 816 H ILE 32 H ILE 32 -11.881 16.451 14.011 817 HA ILE 32 HA ILE 32 -11.443 17.558 11.501 818 HB ILE 32 HB ILE 32 -11.692 14.680 12.439 819 HG12 ILE 32 HG12 ILE 32 -9.213 14.642 12.151 820 HG13 ILE 32 HG13 ILE 32 -9.233 16.363 11.772 821 HG21 ILE 32 HG21 ILE 32 -10.432 14.094 10.344 822 HG22 ILE 32 HG22 ILE 32 -12.061 14.702 10.005 823 HG23 ILE 32 HG23 ILE 32 -10.658 15.792 9.842 824 HD11 ILE 32 HD11 ILE 32 -8.542 15.637 14.132 825 HD12 ILE 32 HD12 ILE 32 -9.758 16.918 14.033 826 HD13 ILE 32 HD13 ILE 32 -10.244 15.234 14.408 827 H GLU 33 H GLU 33 -14.214 15.561 12.541 828 HA GLU 33 HA GLU 33 -15.610 15.510 10.052 829 HB2 GLU 33 HB2 GLU 33 -16.191 14.211 12.163 830 HB3 GLU 33 HB3 GLU 33 -16.972 15.686 12.760 831 HG2 GLU 33 HG2 GLU 33 -18.421 15.714 10.729 832 HG3 GLU 33 HG3 GLU 33 -17.655 14.227 10.171 833 H LEU 34 H LEU 34 -15.487 17.961 12.642 834 HA LEU 34 HA LEU 34 -17.226 19.828 11.362 835 HB2 LEU 34 HB2 LEU 34 -14.878 20.724 13.067 836 HB3 LEU 34 HB3 LEU 34 -16.388 21.538 12.752 837 HG LEU 34 HG LEU 34 -15.856 19.199 14.593 838 HD11 LEU 34 HD11 LEU 34 -16.671 20.728 16.288 839 HD12 LEU 34 HD12 LEU 34 -17.170 21.908 15.058 840 HD13 LEU 34 HD13 LEU 34 -15.452 21.591 15.311 841 HD21 LEU 34 HD21 LEU 34 -18.244 19.299 15.194 842 HD22 LEU 34 HD22 LEU 34 -17.962 18.619 13.594 843 HD23 LEU 34 HD23 LEU 34 -18.555 20.307 13.757 844 H LEU 35 H LEU 35 -13.632 19.451 11.042 845 HA LEU 35 HA LEU 35 -13.123 21.610 9.325 846 HB2 LEU 35 HB2 LEU 35 -11.416 20.048 10.257 847 HB3 LEU 35 HB3 LEU 35 -11.924 18.797 9.186 848 HG LEU 35 HG LEU 35 -9.773 20.143 8.719 849 HD11 LEU 35 HD11 LEU 35 -9.919 19.657 6.361 850 HD12 LEU 35 HD12 LEU 35 -11.689 19.580 6.423 851 HD13 LEU 35 HD13 LEU 35 -10.700 18.365 7.274 852 HD21 LEU 35 HD21 LEU 35 -10.829 22.433 8.581 853 HD22 LEU 35 HD22 LEU 35 -11.683 21.883 7.149 854 HD23 LEU 35 HD23 LEU 35 -9.918 21.954 7.150 855 H SER 36 H SER 36 -14.011 18.237 8.203 856 HA SER 36 HA SER 36 -14.253 19.027 5.490 857 HB2 SER 36 HB2 SER 36 -14.174 16.680 6.453 858 HB3 SER 36 HB3 SER 36 -15.911 16.852 6.768 859 HG SER 36 HG SER 36 -14.547 16.976 4.267 860 H SER 37 H SER 37 -16.726 19.050 8.046 861 HA SER 37 HA SER 37 -18.940 19.690 6.419 862 HB2 SER 37 HB2 SER 37 -18.757 19.019 8.967 863 HB3 SER 37 HB3 SER 37 -18.799 20.773 9.219 864 HG SER 37 HG SER 37 -20.896 20.304 9.089 865 H GLU 38 H GLU 38 -16.557 21.602 8.063 866 HA GLU 38 HA GLU 38 -17.639 24.285 7.683 867 HB2 GLU 38 HB2 GLU 38 -14.990 23.150 8.637 868 HB3 GLU 38 HB3 GLU 38 -15.090 24.835 8.266 869 HG2 GLU 38 HG2 GLU 38 -16.896 23.409 10.267 870 HG3 GLU 38 HG3 GLU 38 -15.465 24.352 10.671 871 H ILE 39 H ILE 39 -14.935 22.504 6.026 872 HA ILE 39 HA ILE 39 -14.359 24.690 4.278 873 HB ILE 39 HB ILE 39 -13.273 23.037 2.827 874 HG12 ILE 39 HG12 ILE 39 -12.884 20.756 4.292 875 HG13 ILE 39 HG13 ILE 39 -14.592 21.050 4.545 876 HG21 ILE 39 HG21 ILE 39 -12.674 23.204 5.780 877 HG22 ILE 39 HG22 ILE 39 -11.529 22.459 4.634 878 HG23 ILE 39 HG23 ILE 39 -11.998 24.151 4.444 879 HD11 ILE 39 HD11 ILE 39 -14.938 21.091 2.065 880 HD12 ILE 39 HD12 ILE 39 -13.199 20.866 1.846 881 HD13 ILE 39 HD13 ILE 39 -14.180 19.584 2.595 882 H ASN 40 H ASN 40 -16.510 21.867 3.932 883 HA ASN 40 HA ASN 40 -17.331 22.802 1.303 884 HB2 ASN 40 HB2 ASN 40 -18.758 21.105 1.103 885 HB3 ASN 40 HB3 ASN 40 -17.583 20.440 2.235 886 HD21 ASN 40 HD21 ASN 40 -18.311 19.849 4.253 887 HD22 ASN 40 HD22 ASN 40 -20.000 19.980 4.738 888 H ASP 41 H ASP 41 -18.463 23.773 4.521 889 HA ASP 41 HA ASP 41 -20.777 25.201 3.554 890 HB2 ASP 41 HB2 ASP 41 -20.047 24.611 5.992 891 HB3 ASP 41 HB3 ASP 41 -19.139 26.119 5.917 892 H ILE 42 H ILE 42 -17.306 26.043 3.631 893 HA ILE 42 HA ILE 42 -17.816 28.745 2.513 894 HB ILE 42 HB ILE 42 -15.226 27.153 2.674 895 HG12 ILE 42 HG12 ILE 42 -14.564 29.015 4.246 896 HG13 ILE 42 HG13 ILE 42 -16.229 29.596 4.230 897 HG21 ILE 42 HG21 ILE 42 -15.089 28.647 0.733 898 HG22 ILE 42 HG22 ILE 42 -15.705 30.006 1.702 899 HG23 ILE 42 HG23 ILE 42 -14.113 29.294 2.039 900 HD11 ILE 42 HD11 ILE 42 -16.985 27.552 5.332 901 HD12 ILE 42 HD12 ILE 42 -15.389 26.805 5.051 902 HD13 ILE 42 HD13 ILE 42 -15.548 28.128 6.206 903 H GLU 43 H GLU 43 -16.676 25.628 1.137 904 HA GLU 43 HA GLU 43 -16.170 26.611 -1.457 905 HB2 GLU 43 HB2 GLU 43 -15.473 24.417 -0.217 906 HB3 GLU 43 HB3 GLU 43 -16.955 23.737 -0.831 907 HG2 GLU 43 HG2 GLU 43 -15.153 23.106 -2.291 908 HG3 GLU 43 HG3 GLU 43 -16.208 24.204 -3.169 909 H THR 44 H THR 44 -19.054 25.042 -0.181 910 HA THR 44 HA THR 44 -20.582 25.754 -2.652 911 HB THR 44 HB THR 44 -19.878 23.413 -2.793 912 HG1 THR 44 HG1 THR 44 -22.658 23.808 -2.414 913 HG21 THR 44 HG21 THR 44 -19.793 22.688 -0.513 914 HG22 THR 44 HG22 THR 44 -21.006 21.721 -1.356 915 HG23 THR 44 HG23 THR 44 -21.518 23.024 -0.260 916 H GLY 45 H GLY 45 -20.734 25.258 0.915 917 HA2 GLY 45 HA2 GLY 45 -23.474 26.116 1.146 918 HA3 GLY 45 HA3 GLY 45 -22.216 26.334 2.364 919 H THR 46 H THR 46 -20.537 27.909 0.459 920 HA THR 46 HA THR 46 -20.075 29.951 -0.210 921 HB THR 46 HB THR 46 -22.953 30.641 -0.793 922 HG1 THR 46 HG1 THR 46 -22.675 29.618 -2.759 923 HG21 THR 46 HG21 THR 46 -21.870 31.815 -2.703 924 HG22 THR 46 HG22 THR 46 -20.279 31.223 -2.159 925 HG23 THR 46 HG23 THR 46 -21.190 32.382 -1.171 926 H LYS 47 H LYS 47 -20.064 29.602 2.418 927 HA LYS 47 HA LYS 47 -21.106 31.758 3.978 928 HB2 LYS 47 HB2 LYS 47 -18.413 30.337 3.999 929 HB3 LYS 47 HB3 LYS 47 -18.841 31.558 5.172 930 HG2 LYS 47 HG2 LYS 47 -20.387 28.976 4.766 931 HG3 LYS 47 HG3 LYS 47 -19.129 29.204 5.971 932 HD2 LYS 47 HD2 LYS 47 -21.793 30.678 5.843 933 HD3 LYS 47 HD3 LYS 47 -21.375 29.355 6.923 934 HE2 LYS 47 HE2 LYS 47 -19.531 30.736 7.903 935 HE3 LYS 47 HE3 LYS 47 -20.058 32.102 6.910 936 HZ1 LYS 47 HZ1 LYS 47 -21.038 32.199 9.138 937 HZ2 LYS 47 HZ2 LYS 47 -21.733 30.736 8.952 938 HZ3 LYS 47 HZ3 LYS 47 -22.226 31.996 8.037 939 H ASN 48 H ASN 48 -20.708 33.838 4.055 940 HA ASN 48 HA ASN 48 -18.777 35.130 2.219 941 HB2 ASN 48 HB2 ASN 48 -20.597 36.454 1.177 942 HB3 ASN 48 HB3 ASN 48 -20.756 34.734 0.868 943 HD21 ASN 48 HD21 ASN 48 -22.549 33.571 1.777 944 HD22 ASN 48 HD22 ASN 48 -23.894 34.452 2.500 945 H VAL 49 H VAL 49 -18.617 34.982 4.910 946 HA VAL 49 HA VAL 49 -19.206 37.652 6.059 947 HB VAL 49 HB VAL 49 -19.886 35.816 7.420 948 HG11 VAL 49 HG11 VAL 49 -18.323 34.145 8.356 949 HG12 VAL 49 HG12 VAL 49 -18.500 33.986 6.609 950 HG13 VAL 49 HG13 VAL 49 -17.048 34.764 7.280 951 HG21 VAL 49 HG21 VAL 49 -17.330 36.764 8.757 952 HG22 VAL 49 HG22 VAL 49 -18.827 37.735 8.660 953 HG23 VAL 49 HG23 VAL 49 -18.811 36.181 9.515 954 H ASP 50 H ASP 50 -17.418 38.485 7.397 955 HA ASP 50 HA ASP 50 -14.878 39.009 6.108 956 HB2 ASP 50 HB2 ASP 50 -15.677 39.287 9.025 957 HB3 ASP 50 HB3 ASP 50 -14.381 40.136 8.201 958 H GLY 51 H GLY 51 -12.871 38.632 7.897 959 HA2 GLY 51 HA2 GLY 51 -11.883 36.180 7.535 960 HA3 GLY 51 HA3 GLY 51 -11.414 37.189 8.886 961 H THR 52 H THR 52 -14.501 36.510 9.729 962 HA THR 52 HA THR 52 -13.994 34.705 11.820 963 HB THR 52 HB THR 52 -16.523 35.150 10.176 964 HG1 THR 52 HG1 THR 52 -16.987 36.597 11.865 965 HG21 THR 52 HG21 THR 52 -16.665 33.105 11.596 966 HG22 THR 52 HG22 THR 52 -17.731 34.399 12.168 967 HG23 THR 52 HG23 THR 52 -16.185 34.083 13.004 968 H THR 53 H THR 53 -15.717 33.742 8.730 969 HA THR 53 HA THR 53 -15.382 31.005 9.283 970 HB THR 53 HB THR 53 -17.082 32.199 7.828 971 HG1 THR 53 HG1 THR 53 -15.858 29.854 6.883 972 HG21 THR 53 HG21 THR 53 -15.453 33.352 6.279 973 HG22 THR 53 HG22 THR 53 -16.711 32.417 5.460 974 HG23 THR 53 HG23 THR 53 -15.073 31.761 5.578 975 H TYR 54 H TYR 54 -13.324 33.176 7.404 976 HA TYR 54 HA TYR 54 -11.500 31.342 6.202 977 HB2 TYR 54 HB2 TYR 54 -11.108 34.096 7.460 978 HB3 TYR 54 HB3 TYR 54 -9.834 33.241 6.648 979 HD1 TYR 54 HD2 TYR 54 -13.154 34.865 6.085 980 HD2 TYR 54 HD1 TYR 54 -9.686 33.046 4.268 981 HE1 TYR 54 HE2 TYR 54 -13.880 35.718 3.869 982 HE2 TYR 54 HE1 TYR 54 -10.417 33.904 2.038 983 HH TYR 54 HH TYR 54 -13.410 35.840 1.627 984 H LYS 55 H LYS 55 -11.296 33.046 9.371 985 HA LYS 55 HA LYS 55 -9.105 31.744 10.330 986 HB2 LYS 55 HB2 LYS 55 -10.007 33.907 11.041 987 HB3 LYS 55 HB3 LYS 55 -11.381 33.145 11.758 988 HG2 LYS 55 HG2 LYS 55 -9.792 33.303 13.619 989 HG3 LYS 55 HG3 LYS 55 -9.427 31.705 13.013 990 HD2 LYS 55 HD2 LYS 55 -7.879 33.053 11.275 991 HD3 LYS 55 HD3 LYS 55 -7.917 34.276 12.529 992 HE2 LYS 55 HE2 LYS 55 -7.177 32.574 14.228 993 HE3 LYS 55 HE3 LYS 55 -7.044 31.379 12.936 994 HZ1 LYS 55 HZ1 LYS 55 -5.478 33.905 13.098 995 HZ2 LYS 55 HZ2 LYS 55 -5.355 32.816 11.886 996 HZ3 LYS 55 HZ3 LYS 55 -4.894 32.413 13.400 997 H LYS 56 H LYS 56 -12.531 30.807 10.881 998 HA LYS 56 HA LYS 56 -11.946 28.493 12.456 999 HB2 LYS 56 HB2 LYS 56 -14.261 29.206 10.656 1000 HB3 LYS 56 HB3 LYS 56 -14.115 27.585 11.336 1001 HG2 LYS 56 HG2 LYS 56 -15.468 28.723 12.843 1002 HG3 LYS 56 HG3 LYS 56 -13.888 28.630 13.628 1003 HD2 LYS 56 HD2 LYS 56 -13.477 31.020 12.971 1004 HD3 LYS 56 HD3 LYS 56 -15.130 31.094 12.308 1005 HE2 LYS 56 HE2 LYS 56 -16.064 30.487 14.493 1006 HE3 LYS 56 HE3 LYS 56 -14.453 30.207 15.147 1007 HZ1 LYS 56 HZ1 LYS 56 -15.256 32.343 15.864 1008 HZ2 LYS 56 HZ2 LYS 56 -15.525 32.852 14.340 1009 HZ3 LYS 56 HZ3 LYS 56 -13.992 32.600 14.872 1010 H LEU 57 H LEU 57 -11.960 28.745 8.900 1011 HA LEU 57 HA LEU 57 -11.459 25.933 8.455 1012 HB2 LEU 57 HB2 LEU 57 -12.627 27.288 6.985 1013 HB3 LEU 57 HB3 LEU 57 -11.322 28.449 6.754 1014 HG LEU 57 HG LEU 57 -11.085 25.550 5.879 1015 HD11 LEU 57 HD11 LEU 57 -13.042 26.584 4.775 1016 HD12 LEU 57 HD12 LEU 57 -11.730 26.372 3.608 1017 HD13 LEU 57 HD13 LEU 57 -12.052 27.977 4.291 1018 HD21 LEU 57 HD21 LEU 57 -8.910 26.689 5.864 1019 HD22 LEU 57 HD22 LEU 57 -9.628 28.096 5.049 1020 HD23 LEU 57 HD23 LEU 57 -9.470 26.542 4.209 1021 H VAL 58 H VAL 58 -9.312 28.798 8.514 1022 HA VAL 58 HA VAL 58 -6.985 27.166 7.974 1023 HB VAL 58 HB VAL 58 -7.353 29.522 7.223 1024 HG11 VAL 58 HG11 VAL 58 -7.995 30.372 9.499 1025 HG12 VAL 58 HG12 VAL 58 -6.285 30.380 9.937 1026 HG13 VAL 58 HG13 VAL 58 -6.880 31.389 8.588 1027 HG21 VAL 58 HG21 VAL 58 -5.007 30.164 7.334 1028 HG22 VAL 58 HG22 VAL 58 -4.721 28.972 8.619 1029 HG23 VAL 58 HG23 VAL 58 -5.193 28.441 6.978 1030 H THR 59 H THR 59 -8.563 28.190 10.924 1031 HA THR 59 HA THR 59 -6.288 27.607 12.661 1032 HB THR 59 HB THR 59 -8.235 29.125 13.266 1033 HG1 THR 59 HG1 THR 59 -6.706 28.573 14.760 1034 HG21 THR 59 HG21 THR 59 -10.072 27.624 12.814 1035 HG22 THR 59 HG22 THR 59 -10.067 28.054 14.528 1036 HG23 THR 59 HG23 THR 59 -9.529 26.458 14.007 1037 H LEU 60 H LEU 60 -9.114 25.824 11.450 1038 HA LEU 60 HA LEU 60 -8.942 23.458 12.880 1039 HB2 LEU 60 HB2 LEU 60 -9.940 24.182 10.253 1040 HB3 LEU 60 HB3 LEU 60 -9.190 22.599 10.186 1041 HG LEU 60 HG LEU 60 -11.522 22.373 10.645 1042 HD11 LEU 60 HD11 LEU 60 -11.556 20.907 12.444 1043 HD12 LEU 60 HD12 LEU 60 -10.208 21.699 13.287 1044 HD13 LEU 60 HD13 LEU 60 -9.924 20.775 11.794 1045 HD21 LEU 60 HD21 LEU 60 -11.054 24.197 12.981 1046 HD22 LEU 60 HD22 LEU 60 -12.532 23.198 12.748 1047 HD23 LEU 60 HD23 LEU 60 -12.084 24.422 11.554 1048 H TYR 61 H TYR 61 -7.085 24.026 9.925 1049 HA TYR 61 HA TYR 61 -5.319 21.757 10.415 1050 HB2 TYR 61 HB2 TYR 61 -4.488 22.015 8.388 1051 HB3 TYR 61 HB3 TYR 61 -5.738 23.228 8.154 1052 HD1 TYR 61 HD2 TYR 61 -2.120 22.667 8.766 1053 HD2 TYR 61 HD1 TYR 61 -5.150 25.650 8.124 1054 HE1 TYR 61 HE2 TYR 61 -0.357 24.336 8.344 1055 HE2 TYR 61 HE1 TYR 61 -3.355 27.351 7.770 1056 HH TYR 61 HH TYR 61 -1.111 27.778 7.710 1057 H ASP 62 H ASP 62 -5.083 25.137 11.224 1058 HA ASP 62 HA ASP 62 -2.402 25.213 12.128 1059 HB2 ASP 62 HB2 ASP 62 -4.000 27.200 11.837 1060 HB3 ASP 62 HB3 ASP 62 -4.540 26.834 13.489 1061 H ARG 63 H ARG 63 -5.143 23.674 13.739 1062 HA ARG 63 HA ARG 63 -3.030 22.757 15.698 1063 HB2 ARG 63 HB2 ARG 63 -5.990 22.721 16.325 1064 HB3 ARG 63 HB3 ARG 63 -4.684 22.058 17.302 1065 HG2 ARG 63 HG2 ARG 63 -5.160 24.988 16.804 1066 HG3 ARG 63 HG3 ARG 63 -5.450 24.006 18.265 1067 HD2 ARG 63 HD2 ARG 63 -2.670 24.054 17.311 1068 HD3 ARG 63 HD3 ARG 63 -3.315 25.561 17.979 1069 HE ARG 63 HE ARG 63 -3.900 23.257 19.673 1070 HH11 ARG 63 HH11 ARG 63 -1.477 25.732 19.092 1071 HH12 ARG 63 HH12 ARG 63 -0.594 25.298 20.529 1072 HH21 ARG 63 HH21 ARG 63 -2.793 22.816 21.467 1073 HH22 ARG 63 HH22 ARG 63 -1.222 23.546 21.718 1074 H PHE 64 H PHE 64 -5.362 21.536 13.337 1075 HA PHE 64 HA PHE 64 -5.163 18.826 14.323 1076 HB2 PHE 64 HB2 PHE 64 -7.076 19.398 13.070 1077 HB3 PHE 64 HB3 PHE 64 -6.111 20.128 11.788 1078 HD1 PHE 64 HD2 PHE 64 -6.624 16.794 13.489 1079 HD2 PHE 64 HD1 PHE 64 -5.628 18.868 9.855 1080 HE1 PHE 64 HE2 PHE 64 -6.486 14.622 12.289 1081 HE2 PHE 64 HE1 PHE 64 -5.423 16.707 8.668 1082 HZ PHE 64 HZ PHE 64 -5.887 14.569 9.879 1083 H ARG 65 H ARG 65 -3.476 20.474 11.585 1084 HA ARG 65 HA ARG 65 -1.977 18.148 10.723 1085 HB2 ARG 65 HB2 ARG 65 -1.900 21.177 10.332 1086 HB3 ARG 65 HB3 ARG 65 -0.734 20.200 9.586 1087 HG2 ARG 65 HG2 ARG 65 -3.700 19.989 9.128 1088 HG3 ARG 65 HG3 ARG 65 -2.536 20.710 8.002 1089 HD2 ARG 65 HD2 ARG 65 -2.687 17.839 8.822 1090 HD3 ARG 65 HD3 ARG 65 -3.176 18.479 7.252 1091 HE ARG 65 HE ARG 65 -0.585 19.259 7.308 1092 HH11 ARG 65 HH11 ARG 65 -1.913 16.122 8.043 1093 HH12 ARG 65 HH12 ARG 65 -0.459 15.271 7.625 1094 HH21 ARG 65 HH21 ARG 65 1.274 18.137 6.770 1095 HH22 ARG 65 HH22 ARG 65 1.304 16.406 6.918 1096 H PHE 66 H PHE 66 -1.477 20.669 12.846 1097 HA PHE 66 HA PHE 66 1.328 19.998 13.539 1098 HB2 PHE 66 HB2 PHE 66 -0.467 22.277 14.413 1099 HB3 PHE 66 HB3 PHE 66 1.190 22.069 14.936 1100 HD1 PHE 66 HD2 PHE 66 2.973 21.718 12.930 1101 HD2 PHE 66 HD1 PHE 66 -0.844 23.686 12.583 1102 HE1 PHE 66 HE2 PHE 66 3.797 22.971 10.948 1103 HE2 PHE 66 HE1 PHE 66 -0.004 24.981 10.644 1104 HZ PHE 66 HZ PHE 66 2.311 24.609 9.803 1105 H GLU 67 H GLU 67 -1.573 20.492 15.627 1106 HA GLU 67 HA GLU 67 0.102 19.681 17.930 1107 HB2 GLU 67 HB2 GLU 67 -2.312 21.585 17.662 1108 HB3 GLU 67 HB3 GLU 67 -1.672 21.017 19.178 1109 HG2 GLU 67 HG2 GLU 67 0.156 22.274 17.074 1110 HG3 GLU 67 HG3 GLU 67 -0.731 23.251 18.198 1111 H ASN 68 H ASN 68 -3.079 19.022 16.701 1112 HA ASN 68 HA ASN 68 -3.484 16.875 18.723 1113 HB2 ASN 68 HB2 ASN 68 -5.608 18.710 17.552 1114 HB3 ASN 68 HB3 ASN 68 -5.936 17.317 18.568 1115 HD21 ASN 68 HD21 ASN 68 -4.659 20.565 18.530 1116 HD22 ASN 68 HD22 ASN 68 -4.572 20.751 20.291 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -0.245 -5.732 6.057 2 H2 GLY 1 H2 GLY 1 -1.499 -6.635 6.601 3 H3 GLY 1 H3 GLY 1 -1.548 -5.002 6.728 4 HA2 GLY 1 HA2 GLY 1 -1.550 -6.512 4.195 5 HA3 GLY 1 HA3 GLY 1 -2.973 -5.752 4.929 6 H SER 2 H SER 2 -1.584 -5.276 2.309 7 HA SER 2 HA SER 2 -1.525 -2.330 2.430 8 HB2 SER 2 HB2 SER 2 0.845 -3.126 2.779 9 HB3 SER 2 HB3 SER 2 0.775 -3.867 1.168 10 HG SER 2 HG SER 2 1.661 -1.722 1.165 11 H HIS 3 H HIS 3 -1.514 -1.373 0.236 12 HA HIS 3 HA HIS 3 -2.522 -2.964 -1.996 13 HB2 HIS 3 HB2 HIS 3 -4.460 -2.617 -0.280 14 HB3 HIS 3 HB3 HIS 3 -4.444 -0.926 -0.776 15 HD1 HIS 3 HD1 HIS 3 -5.519 -0.437 -3.183 16 HD2 HIS 3 HD2 HIS 3 -5.121 -4.501 -2.150 17 HE1 HIS 3 HE1 HIS 3 -6.800 -1.768 -4.963 18 H MET 4 H MET 4 -3.331 -1.388 -3.783 19 HA MET 4 HA MET 4 -1.563 0.959 -4.109 20 HB2 MET 4 HB2 MET 4 -3.800 -0.160 -5.850 21 HB3 MET 4 HB3 MET 4 -2.781 1.227 -6.260 22 HG2 MET 4 HG2 MET 4 -0.770 -0.217 -6.163 23 HG3 MET 4 HG3 MET 4 -1.793 -1.613 -5.802 24 HE1 MET 4 HE1 MET 4 -0.579 -2.371 -9.440 25 HE2 MET 4 HE2 MET 4 0.342 -1.587 -8.138 26 HE3 MET 4 HE3 MET 4 -0.711 -2.974 -7.773 27 H ARG 5 H ARG 5 -2.281 3.092 -4.218 28 HA ARG 5 HA ARG 5 -5.021 3.751 -3.215 29 HB2 ARG 5 HB2 ARG 5 -2.799 4.041 -1.682 30 HB3 ARG 5 HB3 ARG 5 -2.716 5.557 -2.530 31 HG2 ARG 5 HG2 ARG 5 -5.083 6.037 -1.809 32 HG3 ARG 5 HG3 ARG 5 -5.086 4.571 -0.874 33 HD2 ARG 5 HD2 ARG 5 -4.750 6.229 0.661 34 HD3 ARG 5 HD3 ARG 5 -3.260 5.340 0.539 35 HE ARG 5 HE ARG 5 -3.565 7.848 -1.099 36 HH11 ARG 5 HH11 ARG 5 -1.888 6.360 1.590 37 HH12 ARG 5 HH12 ARG 5 -0.611 7.541 1.537 38 HH21 ARG 5 HH21 ARG 5 -1.993 9.310 -1.091 39 HH22 ARG 5 HH22 ARG 5 -0.672 9.186 0.043 40 H MET 6 H MET 6 -5.863 5.770 -3.939 41 HA MET 6 HA MET 6 -4.420 6.978 -6.222 42 HB2 MET 6 HB2 MET 6 -7.414 6.617 -5.979 43 HB3 MET 6 HB3 MET 6 -6.573 7.284 -7.382 44 HG2 MET 6 HG2 MET 6 -6.307 4.434 -6.371 45 HG3 MET 6 HG3 MET 6 -7.298 4.954 -7.734 46 HE1 MET 6 HE1 MET 6 -6.159 2.970 -9.103 47 HE2 MET 6 HE2 MET 6 -4.405 2.826 -9.352 48 HE3 MET 6 HE3 MET 6 -5.093 2.582 -7.732 49 H SER 7 H SER 7 -4.808 7.818 -3.354 50 HA SER 7 HA SER 7 -5.342 9.491 -2.050 51 HB2 SER 7 HB2 SER 7 -3.922 10.922 -4.286 52 HB3 SER 7 HB3 SER 7 -4.246 11.663 -2.703 53 HG SER 7 HG SER 7 -2.180 10.465 -3.012 54 H LEU 8 H LEU 8 -6.231 11.548 -4.978 55 HA LEU 8 HA LEU 8 -8.982 11.365 -4.031 56 HB2 LEU 8 HB2 LEU 8 -9.231 13.848 -4.364 57 HB3 LEU 8 HB3 LEU 8 -8.820 13.197 -2.835 58 HG LEU 8 HG LEU 8 -7.764 15.414 -3.794 59 HD11 LEU 8 HD11 LEU 8 -7.438 14.663 -1.605 60 HD12 LEU 8 HD12 LEU 8 -5.862 15.119 -2.268 61 HD13 LEU 8 HD13 LEU 8 -6.288 13.394 -2.121 62 HD21 LEU 8 HD21 LEU 8 -5.541 13.549 -4.652 63 HD22 LEU 8 HD22 LEU 8 -5.570 15.314 -4.658 64 HD23 LEU 8 HD23 LEU 8 -6.616 14.429 -5.766 65 H ILE 9 H ILE 9 -9.915 10.499 -5.618 66 HA ILE 9 HA ILE 9 -9.318 11.044 -8.401 67 HB ILE 9 HB ILE 9 -11.636 9.409 -7.353 68 HG12 ILE 9 HG12 ILE 9 -8.749 8.454 -7.351 69 HG13 ILE 9 HG13 ILE 9 -9.714 8.719 -5.933 70 HG21 ILE 9 HG21 ILE 9 -11.342 9.727 -9.824 71 HG22 ILE 9 HG22 ILE 9 -9.746 8.960 -9.706 72 HG23 ILE 9 HG23 ILE 9 -11.224 8.042 -9.345 73 HD11 ILE 9 HD11 ILE 9 -10.158 6.549 -7.977 74 HD12 ILE 9 HD12 ILE 9 -9.735 6.420 -6.261 75 HD13 ILE 9 HD13 ILE 9 -11.337 7.007 -6.713 76 H GLY 10 H GLY 10 -11.825 11.890 -6.125 77 HA2 GLY 10 HA2 GLY 10 -13.216 13.880 -6.486 78 HA3 GLY 10 HA3 GLY 10 -13.315 13.503 -8.196 79 H GLU 11 H GLU 11 -13.839 10.545 -6.833 80 HA GLU 11 HA GLU 11 -16.569 11.043 -5.775 81 HB2 GLU 11 HB2 GLU 11 -16.107 8.859 -7.851 82 HB3 GLU 11 HB3 GLU 11 -17.581 9.174 -6.987 83 HG2 GLU 11 HG2 GLU 11 -16.343 11.106 -8.992 84 HG3 GLU 11 HG3 GLU 11 -17.628 9.960 -9.332 85 H ARG 12 H ARG 12 -14.087 8.630 -6.508 86 HA ARG 12 HA ARG 12 -13.286 6.789 -5.468 87 HB2 ARG 12 HB2 ARG 12 -13.602 8.128 -2.815 88 HB3 ARG 12 HB3 ARG 12 -12.492 6.956 -3.415 89 HG2 ARG 12 HG2 ARG 12 -11.032 8.644 -3.571 90 HG3 ARG 12 HG3 ARG 12 -11.784 8.914 -5.123 91 HD2 ARG 12 HD2 ARG 12 -11.670 11.045 -3.971 92 HD3 ARG 12 HD3 ARG 12 -13.363 10.558 -3.991 93 HE ARG 12 HE ARG 12 -11.499 10.245 -1.644 94 HH11 ARG 12 HH11 ARG 12 -14.735 11.078 -2.769 95 HH12 ARG 12 HH12 ARG 12 -15.242 11.493 -1.180 96 HH21 ARG 12 HH21 ARG 12 -12.353 10.669 0.414 97 HH22 ARG 12 HH22 ARG 12 -14.024 11.103 0.550 98 H PHE 13 H PHE 13 -15.883 6.357 -6.053 99 HA PHE 13 HA PHE 13 -17.296 5.341 -3.711 100 HB2 PHE 13 HB2 PHE 13 -18.088 6.395 -6.142 101 HB3 PHE 13 HB3 PHE 13 -18.227 4.694 -6.480 102 HD1 PHE 13 HD2 PHE 13 -18.723 6.835 -3.449 103 HD2 PHE 13 HD1 PHE 13 -20.578 4.135 -6.247 104 HE1 PHE 13 HE2 PHE 13 -20.911 7.065 -2.236 105 HE2 PHE 13 HE1 PHE 13 -22.732 4.314 -5.008 106 HZ PHE 13 HZ PHE 13 -22.897 5.785 -3.008 107 H THR 14 H THR 14 -18.289 3.089 -3.928 108 HA THR 14 HA THR 14 -16.778 1.176 -3.098 109 HB THR 14 HB THR 14 -19.101 0.896 -3.345 110 HG1 THR 14 HG1 THR 14 -19.171 -1.260 -3.912 111 HG21 THR 14 HG21 THR 14 -20.276 0.302 -5.359 112 HG22 THR 14 HG22 THR 14 -18.786 0.305 -6.313 113 HG23 THR 14 HG23 THR 14 -19.430 1.825 -5.655 114 H GLU 15 H GLU 15 -16.895 1.300 -6.748 115 HA GLU 15 HA GLU 15 -14.830 -0.785 -6.915 116 HB2 GLU 15 HB2 GLU 15 -16.140 0.976 -9.020 117 HB3 GLU 15 HB3 GLU 15 -14.947 -0.282 -9.368 118 HG2 GLU 15 HG2 GLU 15 -16.431 -1.980 -8.305 119 HG3 GLU 15 HG3 GLU 15 -17.659 -0.739 -8.061 120 H GLU 16 H GLU 16 -14.788 2.624 -6.732 121 HA GLU 16 HA GLU 16 -11.932 2.950 -7.505 122 HB2 GLU 16 HB2 GLU 16 -13.968 5.118 -6.873 123 HB3 GLU 16 HB3 GLU 16 -12.410 5.302 -7.640 124 HG2 GLU 16 HG2 GLU 16 -14.885 4.027 -8.851 125 HG3 GLU 16 HG3 GLU 16 -14.154 5.562 -9.283 126 H GLU 17 H GLU 17 -13.531 2.094 -4.810 127 HA GLU 17 HA GLU 17 -12.804 4.034 -2.883 128 HB2 GLU 17 HB2 GLU 17 -14.653 2.293 -2.810 129 HB3 GLU 17 HB3 GLU 17 -13.426 1.105 -2.362 130 HG2 GLU 17 HG2 GLU 17 -12.915 2.516 -0.314 131 HG3 GLU 17 HG3 GLU 17 -14.199 3.617 -0.815 132 H GLN 18 H GLN 18 -10.975 1.588 -4.098 133 HA GLN 18 HA GLN 18 -9.226 0.558 -2.419 134 HB2 GLN 18 HB2 GLN 18 -7.419 0.360 -3.793 135 HB3 GLN 18 HB3 GLN 18 -8.859 0.214 -4.764 136 HG2 GLN 18 HG2 GLN 18 -6.985 2.606 -4.569 137 HG3 GLN 18 HG3 GLN 18 -7.096 1.392 -5.874 138 HE21 GLN 18 HE22 GLN 18 -8.187 4.476 -4.924 139 HE22 GLN 18 HE21 GLN 18 -9.725 4.485 -5.794 140 H LYS 19 H LYS 19 -9.048 3.918 -3.200 141 HA LYS 19 HA LYS 19 -6.911 4.871 -1.609 142 HB2 LYS 19 HB2 LYS 19 -8.083 6.303 -3.144 143 HB3 LYS 19 HB3 LYS 19 -9.586 5.904 -2.439 144 HG2 LYS 19 HG2 LYS 19 -8.567 8.218 -2.087 145 HG3 LYS 19 HG3 LYS 19 -9.548 7.337 -0.884 146 HD2 LYS 19 HD2 LYS 19 -8.050 7.137 0.617 147 HD3 LYS 19 HD3 LYS 19 -6.692 6.993 -0.443 148 HE2 LYS 19 HE2 LYS 19 -6.744 9.065 1.099 149 HE3 LYS 19 HE3 LYS 19 -6.509 9.421 -0.592 150 HZ1 LYS 19 HZ1 LYS 19 -9.216 9.578 0.629 151 HZ2 LYS 19 HZ2 LYS 19 -8.673 10.173 -0.824 152 HZ3 LYS 19 HZ3 LYS 19 -8.190 10.860 0.550 153 H LEU 20 H LEU 20 -10.286 4.726 -0.585 154 HA LEU 20 HA LEU 20 -9.740 5.498 2.143 155 HB2 LEU 20 HB2 LEU 20 -12.303 4.376 0.900 156 HB3 LEU 20 HB3 LEU 20 -12.193 5.217 2.391 157 HG LEU 20 HG LEU 20 -13.102 6.776 1.144 158 HD11 LEU 20 HD11 LEU 20 -11.329 7.849 2.330 159 HD12 LEU 20 HD12 LEU 20 -11.403 8.556 0.702 160 HD13 LEU 20 HD13 LEU 20 -10.121 7.415 1.143 161 HD21 LEU 20 HD21 LEU 20 -11.289 6.051 -1.186 162 HD22 LEU 20 HD22 LEU 20 -12.515 7.330 -1.108 163 HD23 LEU 20 HD23 LEU 20 -12.982 5.630 -0.936 164 H LEU 21 H LEU 21 -10.319 2.642 0.386 165 HA LEU 21 HA LEU 21 -10.502 0.477 2.238 166 HB2 LEU 21 HB2 LEU 21 -11.019 0.171 -0.043 167 HB3 LEU 21 HB3 LEU 21 -9.585 1.005 -0.532 168 HG LEU 21 HG LEU 21 -9.602 -1.271 -1.260 169 HD11 LEU 21 HD11 LEU 21 -7.335 -0.325 -0.876 170 HD12 LEU 21 HD12 LEU 21 -7.460 -2.074 -0.780 171 HD13 LEU 21 HD13 LEU 21 -7.304 -1.145 0.703 172 HD21 LEU 21 HD21 LEU 21 -10.796 -2.196 0.742 173 HD22 LEU 21 HD22 LEU 21 -9.260 -2.035 1.661 174 HD23 LEU 21 HD23 LEU 21 -9.367 -3.129 0.252 175 H LEU 22 H LEU 22 -7.557 2.114 0.721 176 HA LEU 22 HA LEU 22 -5.912 0.193 2.188 177 HB2 LEU 22 HB2 LEU 22 -5.035 1.184 0.134 178 HB3 LEU 22 HB3 LEU 22 -5.164 2.811 0.807 179 HG LEU 22 HG LEU 22 -3.428 2.298 2.493 180 HD11 LEU 22 HD11 LEU 22 -3.362 -0.442 1.188 181 HD12 LEU 22 HD12 LEU 22 -3.744 -0.088 2.876 182 HD13 LEU 22 HD13 LEU 22 -2.105 0.178 2.285 183 HD21 LEU 22 HD21 LEU 22 -1.512 1.974 0.915 184 HD22 LEU 22 HD22 LEU 22 -2.664 3.217 0.431 185 HD23 LEU 22 HD23 LEU 22 -2.695 1.636 -0.371 186 H ASN 23 H ASN 23 -6.924 3.487 2.562 187 HA ASN 23 HA ASN 23 -5.501 4.250 4.893 188 HB2 ASN 23 HB2 ASN 23 -7.942 5.158 3.320 189 HB3 ASN 23 HB3 ASN 23 -7.481 6.003 4.715 190 HD21 ASN 23 HD21 ASN 23 -7.454 7.243 2.360 191 HD22 ASN 23 HD22 ASN 23 -5.793 7.545 1.853 192 H ILE 24 H ILE 24 -8.412 2.362 4.664 193 HA ILE 24 HA ILE 24 -8.675 2.413 7.651 194 HB ILE 24 HB ILE 24 -10.599 1.053 7.454 195 HG12 ILE 24 HG12 ILE 24 -9.944 0.835 4.529 196 HG13 ILE 24 HG13 ILE 24 -10.109 -0.437 5.697 197 HG21 ILE 24 HG21 ILE 24 -12.127 2.653 6.494 198 HG22 ILE 24 HG22 ILE 24 -10.804 3.495 7.300 199 HG23 ILE 24 HG23 ILE 24 -10.830 3.389 5.536 200 HD11 ILE 24 HD11 ILE 24 -12.565 0.066 5.879 201 HD12 ILE 24 HD12 ILE 24 -12.371 1.250 4.559 202 HD13 ILE 24 HD13 ILE 24 -12.043 -0.465 4.266 203 H LEU 25 H LEU 25 -7.442 0.324 5.090 204 HA LEU 25 HA LEU 25 -7.182 -2.030 6.671 205 HB2 LEU 25 HB2 LEU 25 -7.294 -1.964 4.242 206 HB3 LEU 25 HB3 LEU 25 -5.795 -1.047 4.158 207 HG LEU 25 HG LEU 25 -4.538 -2.998 5.064 208 HD11 LEU 25 HD11 LEU 25 -6.335 -4.151 6.296 209 HD12 LEU 25 HD12 LEU 25 -5.659 -5.222 5.062 210 HD13 LEU 25 HD13 LEU 25 -7.222 -4.424 4.779 211 HD21 LEU 25 HD21 LEU 25 -6.231 -3.546 2.593 212 HD22 LEU 25 HD22 LEU 25 -4.701 -4.351 3.004 213 HD23 LEU 25 HD23 LEU 25 -4.718 -2.617 2.644 214 H ILE 26 H ILE 26 -5.085 0.790 6.260 215 HA ILE 26 HA ILE 26 -2.893 -0.339 7.852 216 HB ILE 26 HB ILE 26 -1.747 1.721 7.536 217 HG12 ILE 26 HG12 ILE 26 -4.183 2.876 6.128 218 HG13 ILE 26 HG13 ILE 26 -3.758 3.251 7.793 219 HG21 ILE 26 HG21 ILE 26 -3.063 0.915 4.924 220 HG22 ILE 26 HG22 ILE 26 -1.469 1.661 5.141 221 HG23 ILE 26 HG23 ILE 26 -1.764 0.025 5.735 222 HD11 ILE 26 HD11 ILE 26 -1.542 4.103 7.040 223 HD12 ILE 26 HD12 ILE 26 -2.059 3.867 5.348 224 HD13 ILE 26 HD13 ILE 26 -2.921 5.010 6.387 225 H ASN 27 H ASN 27 -2.005 1.583 9.438 226 HA ASN 27 HA ASN 27 -3.312 0.882 11.822 227 HB2 ASN 27 HB2 ASN 27 -1.567 2.262 12.882 228 HB3 ASN 27 HB3 ASN 27 -0.916 1.174 11.662 229 HD21 ASN 27 HD21 ASN 27 0.152 2.122 9.797 230 HD22 ASN 27 HD22 ASN 27 0.368 3.857 9.695 231 H HIS 28 H HIS 28 -3.740 3.920 10.016 232 HA HIS 28 HA HIS 28 -6.014 4.525 11.757 233 HB2 HIS 28 HB2 HIS 28 -5.397 6.705 12.411 234 HB3 HIS 28 HB3 HIS 28 -4.022 5.694 12.819 235 HD1 HIS 28 HD1 HIS 28 -1.805 6.030 11.188 236 HD2 HIS 28 HD2 HIS 28 -5.043 8.667 10.646 237 HE1 HIS 28 HE1 HIS 28 -0.918 7.985 9.799 238 H GLU 29 H GLU 29 -7.438 6.175 10.952 239 HA GLU 29 HA GLU 29 -7.992 5.910 8.161 240 HB2 GLU 29 HB2 GLU 29 -9.181 7.705 10.300 241 HB3 GLU 29 HB3 GLU 29 -9.814 7.546 8.654 242 HG2 GLU 29 HG2 GLU 29 -10.180 5.133 8.992 243 HG3 GLU 29 HG3 GLU 29 -9.519 5.235 10.624 244 H TYR 30 H TYR 30 -6.451 6.686 6.836 245 HA TYR 30 HA TYR 30 -5.042 9.095 7.398 246 HB2 TYR 30 HB2 TYR 30 -4.086 7.017 6.512 247 HB3 TYR 30 HB3 TYR 30 -4.965 7.278 5.006 248 HD1 TYR 30 HD1 TYR 30 -2.490 9.020 7.258 249 HD2 TYR 30 HD2 TYR 30 -3.904 8.426 3.225 250 HE1 TYR 30 HE1 TYR 30 -0.586 10.348 6.380 251 HE2 TYR 30 HE2 TYR 30 -2.052 9.755 2.362 252 HH TYR 30 HH TYR 30 0.398 11.265 4.528 253 H ALA 31 H ALA 31 -7.485 8.499 4.785 254 HA ALA 31 HA ALA 31 -7.254 10.424 3.049 255 HB1 ALA 31 HB1 ALA 31 -9.787 9.608 4.497 256 HB2 ALA 31 HB2 ALA 31 -9.746 10.486 2.967 257 HB3 ALA 31 HB3 ALA 31 -9.064 8.839 3.051 258 H ILE 32 H ILE 32 -8.588 11.080 6.301 259 HA ILE 32 HA ILE 32 -9.263 13.744 5.948 260 HB ILE 32 HB ILE 32 -8.298 12.239 8.376 261 HG12 ILE 32 HG12 ILE 32 -10.701 12.245 9.072 262 HG13 ILE 32 HG13 ILE 32 -11.136 12.906 7.501 263 HG21 ILE 32 HG21 ILE 32 -9.253 13.913 9.784 264 HG22 ILE 32 HG22 ILE 32 -8.146 14.750 8.741 265 HG23 ILE 32 HG23 ILE 32 -9.888 14.819 8.373 266 HD11 ILE 32 HD11 ILE 32 -11.416 10.371 7.942 267 HD12 ILE 32 HD12 ILE 32 -10.601 10.817 6.438 268 HD13 ILE 32 HD13 ILE 32 -9.655 10.265 7.855 269 H GLU 33 H GLU 33 -6.069 12.399 6.839 270 HA GLU 33 HA GLU 33 -4.765 14.861 7.440 271 HB2 GLU 33 HB2 GLU 33 -3.767 12.597 7.796 272 HB3 GLU 33 HB3 GLU 33 -3.427 12.522 6.053 273 HG2 GLU 33 HG2 GLU 33 -2.076 14.604 6.235 274 HG3 GLU 33 HG3 GLU 33 -2.446 14.706 7.953 275 H LEU 34 H LEU 34 -5.323 13.223 4.339 276 HA LEU 34 HA LEU 34 -4.114 15.161 2.652 277 HB2 LEU 34 HB2 LEU 34 -6.453 13.249 2.086 278 HB3 LEU 34 HB3 LEU 34 -5.588 14.199 0.895 279 HG LEU 34 HG LEU 34 -3.468 12.838 1.513 280 HD11 LEU 34 HD11 LEU 34 -3.769 11.815 3.545 281 HD12 LEU 34 HD12 LEU 34 -4.358 10.535 2.466 282 HD13 LEU 34 HD13 LEU 34 -5.500 11.577 3.298 283 HD21 LEU 34 HD21 LEU 34 -4.287 10.895 0.241 284 HD22 LEU 34 HD22 LEU 34 -4.897 12.405 -0.455 285 HD23 LEU 34 HD23 LEU 34 -5.966 11.417 0.570 286 H LEU 35 H LEU 35 -7.545 14.817 3.799 287 HA LEU 35 HA LEU 35 -8.669 16.969 2.424 288 HB2 LEU 35 HB2 LEU 35 -9.994 15.454 3.854 289 HB3 LEU 35 HB3 LEU 35 -9.146 15.947 5.274 290 HG LEU 35 HG LEU 35 -10.116 18.116 5.337 291 HD11 LEU 35 HD11 LEU 35 -11.955 17.433 3.036 292 HD12 LEU 35 HD12 LEU 35 -10.457 18.351 2.816 293 HD13 LEU 35 HD13 LEU 35 -11.717 18.970 3.877 294 HD21 LEU 35 HD21 LEU 35 -12.199 15.932 4.964 295 HD22 LEU 35 HD22 LEU 35 -12.431 17.472 5.825 296 HD23 LEU 35 HD23 LEU 35 -11.282 16.276 6.447 297 H SER 36 H SER 36 -7.219 17.191 5.764 298 HA SER 36 HA SER 36 -7.616 19.989 5.958 299 HB2 SER 36 HB2 SER 36 -7.126 18.311 7.816 300 HB3 SER 36 HB3 SER 36 -5.426 18.440 7.349 301 HG SER 36 HG SER 36 -7.155 20.496 8.296 302 H SER 37 H SER 37 -4.764 18.125 4.854 303 HA SER 37 HA SER 37 -3.012 20.329 4.541 304 HB2 SER 37 HB2 SER 37 -2.647 17.708 4.324 305 HB3 SER 37 HB3 SER 37 -2.816 18.048 2.596 306 HG SER 37 HG SER 37 -1.084 19.460 2.742 307 H GLU 38 H GLU 38 -5.351 18.798 2.423 308 HA GLU 38 HA GLU 38 -4.796 20.252 -0.003 309 HB2 GLU 38 HB2 GLU 38 -6.985 18.386 0.952 310 HB3 GLU 38 HB3 GLU 38 -7.158 19.162 -0.565 311 HG2 GLU 38 HG2 GLU 38 -4.742 17.462 0.153 312 HG3 GLU 38 HG3 GLU 38 -6.168 16.882 -0.700 313 H ILE 39 H ILE 39 -7.485 20.627 2.396 314 HA ILE 39 HA ILE 39 -8.736 22.783 0.965 315 HB ILE 39 HB ILE 39 -9.794 23.361 3.107 316 HG12 ILE 39 HG12 ILE 39 -9.463 21.148 4.759 317 HG13 ILE 39 HG13 ILE 39 -7.820 21.513 4.258 318 HG21 ILE 39 HG21 ILE 39 -9.857 20.441 2.342 319 HG22 ILE 39 HG22 ILE 39 -11.191 21.313 3.114 320 HG23 ILE 39 HG23 ILE 39 -10.726 21.726 1.460 321 HD11 ILE 39 HD11 ILE 39 -8.349 22.667 6.341 322 HD12 ILE 39 HD12 ILE 39 -8.155 23.884 5.066 323 HD13 ILE 39 HD13 ILE 39 -9.780 23.416 5.607 324 H ASN 40 H ASN 40 -6.268 22.748 3.586 325 HA ASN 40 HA ASN 40 -6.086 25.645 3.438 326 HB2 ASN 40 HB2 ASN 40 -4.550 25.655 5.039 327 HB3 ASN 40 HB3 ASN 40 -5.337 24.123 5.387 328 HD21 ASN 40 HD21 ASN 40 -4.108 22.252 5.197 329 HD22 ASN 40 HD22 ASN 40 -2.384 22.283 4.833 330 H ASP 41 H ASP 41 -4.568 23.193 1.412 331 HA ASP 41 HA ASP 41 -2.650 25.033 0.218 332 HB2 ASP 41 HB2 ASP 41 -2.678 22.437 0.127 333 HB3 ASP 41 HB3 ASP 41 -3.831 22.631 -1.193 334 H ILE 42 H ILE 42 -6.102 24.452 -0.210 335 HA ILE 42 HA ILE 42 -6.241 26.270 -2.555 336 HB ILE 42 HB ILE 42 -8.375 24.866 -0.929 337 HG12 ILE 42 HG12 ILE 42 -8.941 23.960 -3.220 338 HG13 ILE 42 HG13 ILE 42 -7.512 24.757 -3.865 339 HG21 ILE 42 HG21 ILE 42 -10.034 25.838 -2.521 340 HG22 ILE 42 HG22 ILE 42 -9.328 27.060 -1.474 341 HG23 ILE 42 HG23 ILE 42 -8.771 26.912 -3.159 342 HD11 ILE 42 HD11 ILE 42 -6.099 23.297 -2.347 343 HD12 ILE 42 HD12 ILE 42 -7.622 22.558 -1.780 344 HD13 ILE 42 HD13 ILE 42 -7.083 22.366 -3.452 345 H GLU 43 H GLU 43 -7.209 26.458 0.874 346 HA GLU 43 HA GLU 43 -8.274 29.061 0.747 347 HB2 GLU 43 HB2 GLU 43 -8.483 27.243 2.561 348 HB3 GLU 43 HB3 GLU 43 -6.980 27.830 3.218 349 HG2 GLU 43 HG2 GLU 43 -8.867 28.808 4.421 350 HG3 GLU 43 HG3 GLU 43 -7.943 30.056 3.611 351 H THR 44 H THR 44 -5.041 28.082 1.802 352 HA THR 44 HA THR 44 -4.120 30.939 1.633 353 HB THR 44 HB THR 44 -4.194 30.231 3.937 354 HG1 THR 44 HG1 THR 44 -2.557 31.624 3.392 355 HG21 THR 44 HG21 THR 44 -2.549 28.543 4.784 356 HG22 THR 44 HG22 THR 44 -2.303 27.998 3.110 357 HG23 THR 44 HG23 THR 44 -3.901 27.858 3.880 358 H GLY 45 H GLY 45 -3.187 27.542 0.865 359 HA2 GLY 45 HA2 GLY 45 -0.751 28.274 -0.471 360 HA3 GLY 45 HA3 GLY 45 -1.688 26.808 -0.738 361 H THR 46 H THR 46 -4.061 28.593 -1.510 362 HA THR 46 HA THR 46 -5.089 29.391 -3.290 363 HB THR 46 HB THR 46 -4.178 31.201 -4.640 364 HG1 THR 46 HG1 THR 46 -1.965 30.571 -4.597 365 HG21 THR 46 HG21 THR 46 -3.664 31.517 -1.658 366 HG22 THR 46 HG22 THR 46 -5.249 31.623 -2.455 367 HG23 THR 46 HG23 THR 46 -3.989 32.811 -2.830 368 H LYS 47 H LYS 47 -4.305 26.856 -3.643 369 HA LYS 47 HA LYS 47 -3.769 26.417 -6.490 370 HB2 LYS 47 HB2 LYS 47 -5.283 24.734 -4.443 371 HB3 LYS 47 HB3 LYS 47 -4.855 24.221 -6.059 372 HG2 LYS 47 HG2 LYS 47 -2.995 24.769 -3.737 373 HG3 LYS 47 HG3 LYS 47 -3.350 23.221 -4.467 374 HD2 LYS 47 HD2 LYS 47 -1.802 25.524 -5.724 375 HD3 LYS 47 HD3 LYS 47 -1.103 24.062 -5.059 376 HE2 LYS 47 HE2 LYS 47 -3.004 24.111 -7.451 377 HE3 LYS 47 HE3 LYS 47 -1.244 24.105 -7.568 378 HZ1 LYS 47 HZ1 LYS 47 -2.111 21.861 -7.762 379 HZ2 LYS 47 HZ2 LYS 47 -2.852 21.947 -6.309 380 HZ3 LYS 47 HZ3 LYS 47 -1.221 21.971 -6.399 381 H ASN 48 H ASN 48 -5.239 26.309 -8.165 382 HA ASN 48 HA ASN 48 -8.108 26.674 -7.780 383 HB2 ASN 48 HB2 ASN 48 -6.407 28.787 -9.199 384 HB3 ASN 48 HB3 ASN 48 -8.155 28.659 -9.356 385 HD21 ASN 48 HD21 ASN 48 -9.434 28.796 -7.218 386 HD22 ASN 48 HD22 ASN 48 -8.798 29.937 -6.048 387 H VAL 49 H VAL 49 -9.231 25.750 -9.446 388 HA VAL 49 HA VAL 49 -8.287 25.359 -12.130 389 HB VAL 49 HB VAL 49 -6.879 23.631 -11.334 390 HG11 VAL 49 HG11 VAL 49 -7.685 21.736 -9.919 391 HG12 VAL 49 HG12 VAL 49 -7.677 23.290 -9.088 392 HG13 VAL 49 HG13 VAL 49 -9.215 22.642 -9.709 393 HG21 VAL 49 HG21 VAL 49 -7.725 21.567 -12.280 394 HG22 VAL 49 HG22 VAL 49 -9.390 22.161 -12.206 395 HG23 VAL 49 HG23 VAL 49 -8.223 22.933 -13.307 396 H ASP 50 H ASP 50 -9.874 24.076 -13.396 397 HA ASP 50 HA ASP 50 -12.416 25.267 -12.930 398 HB2 ASP 50 HB2 ASP 50 -11.132 25.167 -15.085 399 HB3 ASP 50 HB3 ASP 50 -11.500 23.435 -15.110 400 H GLY 51 H GLY 51 -12.627 23.876 -11.027 401 HA2 GLY 51 HA2 GLY 51 -14.448 22.739 -9.940 402 HA3 GLY 51 HA3 GLY 51 -14.812 21.811 -11.374 403 H THR 52 H THR 52 -11.684 21.286 -11.500 404 HA THR 52 HA THR 52 -11.815 18.669 -10.452 405 HB THR 52 HB THR 52 -9.386 20.424 -10.917 406 HG1 THR 52 HG1 THR 52 -9.374 19.307 -12.904 407 HG21 THR 52 HG21 THR 52 -8.164 18.314 -11.232 408 HG22 THR 52 HG22 THR 52 -9.611 17.405 -10.695 409 HG23 THR 52 HG23 THR 52 -8.751 18.491 -9.573 410 H THR 53 H THR 53 -9.980 21.428 -8.912 411 HA THR 53 HA THR 53 -9.634 20.079 -6.476 412 HB THR 53 HB THR 53 -8.348 22.035 -7.266 413 HG1 THR 53 HG1 THR 53 -8.164 21.404 -5.182 414 HG21 THR 53 HG21 THR 53 -10.562 23.790 -6.126 415 HG22 THR 53 HG22 THR 53 -10.274 23.591 -7.870 416 HG23 THR 53 HG23 THR 53 -9.022 24.295 -6.834 417 H TYR 54 H TYR 54 -12.280 22.254 -7.424 418 HA TYR 54 HA TYR 54 -13.797 22.409 -5.049 419 HB2 TYR 54 HB2 TYR 54 -14.708 21.978 -7.935 420 HB3 TYR 54 HB3 TYR 54 -15.801 22.241 -6.615 421 HD1 TYR 54 HD1 TYR 54 -12.967 23.881 -8.476 422 HD2 TYR 54 HD2 TYR 54 -16.308 24.382 -5.792 423 HE1 TYR 54 HE1 TYR 54 -12.788 26.350 -8.723 424 HE2 TYR 54 HE2 TYR 54 -16.129 26.861 -6.040 425 HH TYR 54 HH TYR 54 -15.006 28.601 -7.026 426 H LYS 55 H LYS 55 -14.144 19.920 -7.653 427 HA LYS 55 HA LYS 55 -15.750 18.239 -6.252 428 HB2 LYS 55 HB2 LYS 55 -15.479 18.380 -8.672 429 HB3 LYS 55 HB3 LYS 55 -13.892 17.725 -8.601 430 HG2 LYS 55 HG2 LYS 55 -15.289 15.703 -8.880 431 HG3 LYS 55 HG3 LYS 55 -15.249 15.770 -7.155 432 HD2 LYS 55 HD2 LYS 55 -17.250 17.533 -7.480 433 HD3 LYS 55 HD3 LYS 55 -17.419 16.705 -9.031 434 HE2 LYS 55 HE2 LYS 55 -17.381 14.479 -7.774 435 HE3 LYS 55 HE3 LYS 55 -17.524 15.393 -6.273 436 HZ1 LYS 55 HZ1 LYS 55 -19.659 16.265 -7.120 437 HZ2 LYS 55 HZ2 LYS 55 -19.672 14.623 -7.109 438 HZ3 LYS 55 HZ3 LYS 55 -19.479 15.412 -8.512 439 H LYS 56 H LYS 56 -12.153 17.996 -6.419 440 HA LYS 56 HA LYS 56 -12.042 15.663 -4.791 441 HB2 LYS 56 HB2 LYS 56 -9.990 17.764 -5.369 442 HB3 LYS 56 HB3 LYS 56 -9.691 16.534 -4.113 443 HG2 LYS 56 HG2 LYS 56 -8.804 15.524 -6.011 444 HG3 LYS 56 HG3 LYS 56 -10.417 14.827 -5.966 445 HD2 LYS 56 HD2 LYS 56 -11.137 16.426 -7.679 446 HD3 LYS 56 HD3 LYS 56 -9.513 17.168 -7.704 447 HE2 LYS 56 HE2 LYS 56 -10.098 14.249 -8.142 448 HE3 LYS 56 HE3 LYS 56 -10.083 15.421 -9.484 449 HZ1 LYS 56 HZ1 LYS 56 -7.823 14.472 -7.831 450 HZ2 LYS 56 HZ2 LYS 56 -7.689 15.867 -8.716 451 HZ3 LYS 56 HZ3 LYS 56 -7.954 14.428 -9.444 452 H LEU 57 H LEU 57 -12.107 19.053 -3.597 453 HA LEU 57 HA LEU 57 -12.031 18.049 -0.833 454 HB2 LEU 57 HB2 LEU 57 -12.257 20.793 -2.023 455 HB3 LEU 57 HB3 LEU 57 -12.406 20.508 -0.303 456 HG LEU 57 HG LEU 57 -10.205 21.194 -0.617 457 HD11 LEU 57 HD11 LEU 57 -10.698 19.002 0.718 458 HD12 LEU 57 HD12 LEU 57 -9.038 19.494 0.432 459 HD13 LEU 57 HD13 LEU 57 -9.756 18.203 -0.557 460 HD21 LEU 57 HD21 LEU 57 -9.730 19.133 -2.789 461 HD22 LEU 57 HD22 LEU 57 -8.547 20.247 -2.088 462 HD23 LEU 57 HD23 LEU 57 -9.905 20.892 -3.007 463 H VAL 58 H VAL 58 -14.674 19.034 -3.004 464 HA VAL 58 HA VAL 58 -16.600 18.809 -0.834 465 HB VAL 58 HB VAL 58 -16.816 20.190 -2.966 466 HG11 VAL 58 HG11 VAL 58 -16.495 18.098 -4.432 467 HG12 VAL 58 HG12 VAL 58 -18.204 17.785 -4.157 468 HG13 VAL 58 HG13 VAL 58 -17.680 19.317 -4.923 469 HG21 VAL 58 HG21 VAL 58 -18.592 19.973 -1.277 470 HG22 VAL 58 HG22 VAL 58 -19.222 20.127 -2.925 471 HG23 VAL 58 HG23 VAL 58 -19.203 18.533 -2.144 472 H THR 59 H THR 59 -15.103 16.485 -3.012 473 HA THR 59 HA THR 59 -17.060 14.383 -2.422 474 HB THR 59 HB THR 59 -15.631 14.463 -4.513 475 HG1 THR 59 HG1 THR 59 -16.811 12.662 -4.079 476 HG21 THR 59 HG21 THR 59 -13.495 14.742 -3.771 477 HG22 THR 59 HG22 THR 59 -13.527 13.076 -4.331 478 HG23 THR 59 HG23 THR 59 -13.511 13.453 -2.590 479 H LEU 60 H LEU 60 -13.938 15.412 -1.102 480 HA LEU 60 HA LEU 60 -13.340 13.411 0.752 481 HB2 LEU 60 HB2 LEU 60 -12.951 16.322 0.804 482 HB3 LEU 60 HB3 LEU 60 -13.097 15.606 2.395 483 HG LEU 60 HG LEU 60 -10.826 15.806 1.778 484 HD11 LEU 60 HD11 LEU 60 -11.395 13.815 3.201 485 HD12 LEU 60 HD12 LEU 60 -9.897 13.694 2.281 486 HD13 LEU 60 HD13 LEU 60 -11.352 12.824 1.726 487 HD21 LEU 60 HD21 LEU 60 -10.868 15.786 -0.525 488 HD22 LEU 60 HD22 LEU 60 -11.473 14.115 -0.610 489 HD23 LEU 60 HD23 LEU 60 -9.806 14.466 -0.029 490 H TYR 61 H TYR 61 -15.655 16.044 1.405 491 HA TYR 61 HA TYR 61 -16.728 14.716 3.781 492 HB2 TYR 61 HB2 TYR 61 -17.894 16.509 4.265 493 HB3 TYR 61 HB3 TYR 61 -16.924 17.301 3.004 494 HD1 TYR 61 HD1 TYR 61 -20.237 15.888 3.921 495 HD2 TYR 61 HD2 TYR 61 -18.043 17.973 0.871 496 HE1 TYR 61 HE1 TYR 61 -22.364 16.524 2.865 497 HE2 TYR 61 HE2 TYR 61 -20.213 18.568 -0.228 498 HH TYR 61 HH TYR 61 -23.373 17.596 1.102 499 H ASP 62 H ASP 62 -17.764 14.887 0.454 500 HA ASP 62 HA ASP 62 -20.293 13.669 0.789 501 HB2 ASP 62 HB2 ASP 62 -19.339 14.815 -1.332 502 HB3 ASP 62 HB3 ASP 62 -18.728 13.205 -1.745 503 H ARG 63 H ARG 63 -17.174 12.135 1.058 504 HA ARG 63 HA ARG 63 -18.753 9.625 1.594 505 HB2 ARG 63 HB2 ARG 63 -15.779 9.570 1.095 506 HB3 ARG 63 HB3 ARG 63 -16.880 8.209 1.297 507 HG2 ARG 63 HG2 ARG 63 -16.742 10.091 -1.034 508 HG3 ARG 63 HG3 ARG 63 -16.256 8.374 -0.935 509 HD2 ARG 63 HD2 ARG 63 -18.376 7.591 -1.026 510 HD3 ARG 63 HD3 ARG 63 -19.118 9.092 -0.485 511 HE ARG 63 HE ARG 63 -17.692 8.920 -3.119 512 HH11 ARG 63 HH12 ARG 63 -20.403 10.235 -1.318 513 HH12 ARG 63 HH11 ARG 63 -20.898 11.159 -2.703 514 HH21 ARG 63 HH21 ARG 63 -18.550 10.001 -4.822 515 HH22 ARG 63 HH22 ARG 63 -19.982 10.951 -4.618 516 H PHE 64 H PHE 64 -16.265 11.755 3.044 517 HA PHE 64 HA PHE 64 -15.849 10.133 5.334 518 HB2 PHE 64 HB2 PHE 64 -14.348 11.912 4.828 519 HB3 PHE 64 HB3 PHE 64 -15.655 13.093 4.826 520 HD1 PHE 64 HD1 PHE 64 -16.577 13.930 6.956 521 HD2 PHE 64 HD2 PHE 64 -13.423 11.021 6.963 522 HE1 PHE 64 HE1 PHE 64 -16.279 14.299 9.389 523 HE2 PHE 64 HE2 PHE 64 -13.097 11.394 9.408 524 HZ PHE 64 HZ PHE 64 -14.565 12.983 10.630 525 H ARG 65 H ARG 65 -18.284 12.758 4.842 526 HA ARG 65 HA ARG 65 -19.352 12.654 7.543 527 HB2 ARG 65 HB2 ARG 65 -20.132 13.913 4.864 528 HB3 ARG 65 HB3 ARG 65 -21.050 14.182 6.248 529 HG2 ARG 65 HG2 ARG 65 -18.202 15.014 5.893 530 HG3 ARG 65 HG3 ARG 65 -19.609 16.084 5.944 531 HD2 ARG 65 HD2 ARG 65 -18.571 14.429 8.214 532 HD3 ARG 65 HD3 ARG 65 -18.332 16.163 8.036 533 HE ARG 65 HE ARG 65 -20.892 16.333 8.126 534 HH11 ARG 65 HH11 ARG 65 -19.262 13.774 9.886 535 HH12 ARG 65 HH12 ARG 65 -20.343 13.905 11.249 536 HH21 ARG 65 HH21 ARG 65 -22.346 16.291 9.825 537 HH22 ARG 65 HH22 ARG 65 -22.114 15.143 11.114 538 H PHE 66 H PHE 66 -20.209 11.386 4.512 539 HA PHE 66 HA PHE 66 -22.666 10.054 5.510 540 HB2 PHE 66 HB2 PHE 66 -21.593 10.419 2.702 541 HB3 PHE 66 HB3 PHE 66 -23.134 9.698 3.102 542 HD1 PHE 66 HD2 PHE 66 -24.248 11.545 5.183 543 HD2 PHE 66 HD1 PHE 66 -22.072 12.387 1.554 544 HE1 PHE 66 HE2 PHE 66 -25.297 13.785 5.068 545 HE2 PHE 66 HE1 PHE 66 -23.131 14.615 1.433 546 HZ PHE 66 HZ PHE 66 -24.749 15.328 3.195 547 H GLU 67 H GLU 67 -20.003 8.859 3.408 548 HA GLU 67 HA GLU 67 -21.170 6.174 3.491 549 HB2 GLU 67 HB2 GLU 67 -18.858 7.382 1.861 550 HB3 GLU 67 HB3 GLU 67 -19.319 5.709 1.804 551 HG2 GLU 67 HG2 GLU 67 -21.044 8.106 1.072 552 HG3 GLU 67 HG3 GLU 67 -20.331 6.941 -0.033 553 H ASN 68 H ASN 68 -18.119 7.549 4.473 554 HA ASN 68 HA ASN 68 -16.853 4.971 4.970 555 HB2 ASN 68 HB2 ASN 68 -15.858 7.746 5.727 556 HB3 ASN 68 HB3 ASN 68 -14.898 6.272 5.659 557 HD21 ASN 68 HD21 ASN 68 -15.738 5.200 3.145 558 HD22 ASN 68 HD22 ASN 68 -15.342 6.364 1.896 559 H1 GLY 1 H1 GLY 1 -16.402 11.291 32.407 560 H2 GLY 1 H2 GLY 1 -17.975 11.256 32.862 561 H3 GLY 1 H3 GLY 1 -16.796 11.004 33.972 562 HA2 GLY 1 HA2 GLY 1 -17.701 13.222 34.217 563 HA3 GLY 1 HA3 GLY 1 -15.991 13.251 33.751 564 H SER 2 H SER 2 -18.204 15.238 33.320 565 HA SER 2 HA SER 2 -18.696 15.316 30.440 566 HB2 SER 2 HB2 SER 2 -19.768 17.495 30.978 567 HB3 SER 2 HB3 SER 2 -20.410 16.125 31.896 568 HG SER 2 HG SER 2 -20.025 17.961 33.228 569 H HIS 3 H HIS 3 -18.120 17.147 29.086 570 HA HIS 3 HA HIS 3 -15.272 17.756 29.264 571 HB2 HIS 3 HB2 HIS 3 -15.792 18.956 27.059 572 HB3 HIS 3 HB3 HIS 3 -15.906 17.240 27.096 573 HD1 HIS 3 HD1 HIS 3 -18.253 16.240 26.345 574 HD2 HIS 3 HD2 HIS 3 -18.198 20.391 27.052 575 HE1 HIS 3 HE1 HIS 3 -20.487 17.139 25.510 576 H MET 4 H MET 4 -14.281 19.752 29.185 577 HA MET 4 HA MET 4 -16.023 22.119 29.299 578 HB2 MET 4 HB2 MET 4 -14.391 23.412 30.513 579 HB3 MET 4 HB3 MET 4 -14.808 21.977 31.436 580 HG2 MET 4 HG2 MET 4 -12.296 22.228 29.728 581 HG3 MET 4 HG3 MET 4 -12.376 22.636 31.434 582 HE1 MET 4 HE1 MET 4 -10.291 20.620 30.004 583 HE2 MET 4 HE2 MET 4 -10.216 21.097 31.717 584 HE3 MET 4 HE3 MET 4 -10.174 19.377 31.269 585 H ARG 5 H ARG 5 -15.343 20.712 27.070 586 HA ARG 5 HA ARG 5 -13.294 21.668 25.360 587 HB2 ARG 5 HB2 ARG 5 -14.798 19.676 25.167 588 HB3 ARG 5 HB3 ARG 5 -16.131 20.728 24.737 589 HG2 ARG 5 HG2 ARG 5 -14.700 21.409 22.717 590 HG3 ARG 5 HG3 ARG 5 -13.586 20.205 23.156 591 HD2 ARG 5 HD2 ARG 5 -15.053 19.338 21.459 592 HD3 ARG 5 HD3 ARG 5 -14.968 18.386 22.951 593 HE ARG 5 HE ARG 5 -17.272 20.142 22.948 594 HH11 ARG 5 HH11 ARG 5 -16.087 17.115 21.618 595 HH12 ARG 5 HH12 ARG 5 -17.690 16.434 21.504 596 HH21 ARG 5 HH21 ARG 5 -19.292 19.172 22.838 597 HH22 ARG 5 HH22 ARG 5 -19.451 17.575 22.171 598 H MET 6 H MET 6 -13.299 23.267 23.686 599 HA MET 6 HA MET 6 -15.605 25.109 23.700 600 HB2 MET 6 HB2 MET 6 -12.729 26.021 23.374 601 HB3 MET 6 HB3 MET 6 -14.147 27.053 23.502 602 HG2 MET 6 HG2 MET 6 -13.050 25.253 25.685 603 HG3 MET 6 HG3 MET 6 -12.746 26.982 25.539 604 HE1 MET 6 HE1 MET 6 -13.676 25.816 28.238 605 HE2 MET 6 HE2 MET 6 -13.471 27.561 27.968 606 HE3 MET 6 HE3 MET 6 -14.958 26.946 28.722 607 H SER 7 H SER 7 -15.962 23.378 22.012 608 HA SER 7 HA SER 7 -14.702 23.615 19.454 609 HB2 SER 7 HB2 SER 7 -17.514 22.668 20.086 610 HB3 SER 7 HB3 SER 7 -16.724 22.518 18.498 611 HG SER 7 HG SER 7 -16.598 20.765 20.312 612 H LEU 8 H LEU 8 -16.363 26.756 18.337 613 HA LEU 8 HA LEU 8 -13.709 25.564 18.542 614 HB2 LEU 8 HB2 LEU 8 -15.179 26.574 16.021 615 HB3 LEU 8 HB3 LEU 8 -13.466 26.419 16.119 616 HG LEU 8 HG LEU 8 -15.035 23.945 16.833 617 HD11 LEU 8 HD11 LEU 8 -15.167 23.307 14.466 618 HD12 LEU 8 HD12 LEU 8 -14.687 24.954 13.984 619 HD13 LEU 8 HD13 LEU 8 -16.229 24.670 14.843 620 HD21 LEU 8 HD21 LEU 8 -13.063 22.965 15.731 621 HD22 LEU 8 HD22 LEU 8 -12.577 24.211 16.937 622 HD23 LEU 8 HD23 LEU 8 -12.559 24.586 15.198 623 H ILE 9 H ILE 9 -12.305 27.235 19.043 624 HA ILE 9 HA ILE 9 -13.399 29.865 19.529 625 HB ILE 9 HB ILE 9 -10.491 29.158 19.849 626 HG12 ILE 9 HG12 ILE 9 -12.739 27.988 21.528 627 HG13 ILE 9 HG13 ILE 9 -11.546 27.110 20.633 628 HG21 ILE 9 HG21 ILE 9 -11.389 31.431 20.471 629 HG22 ILE 9 HG22 ILE 9 -12.441 30.645 21.666 630 HG23 ILE 9 HG23 ILE 9 -10.674 30.581 21.831 631 HD11 ILE 9 HD11 ILE 9 -10.749 26.939 22.789 632 HD12 ILE 9 HD12 ILE 9 -9.720 28.137 22.000 633 HD13 ILE 9 HD13 ILE 9 -10.991 28.663 23.144 634 H GLY 10 H GLY 10 -11.312 28.484 17.123 635 HA2 GLY 10 HA2 GLY 10 -10.639 29.489 15.049 636 HA3 GLY 10 HA3 GLY 10 -10.982 31.072 15.677 637 H GLU 11 H GLU 11 -9.213 29.338 17.981 638 HA GLU 11 HA GLU 11 -6.528 29.643 16.761 639 HB2 GLU 11 HB2 GLU 11 -5.770 30.279 19.195 640 HB3 GLU 11 HB3 GLU 11 -6.201 31.517 17.995 641 HG2 GLU 11 HG2 GLU 11 -8.455 31.725 19.058 642 HG3 GLU 11 HG3 GLU 11 -7.978 30.532 20.268 643 H ARG 12 H ARG 12 -7.906 28.723 19.921 644 HA ARG 12 HA ARG 12 -7.724 26.860 21.203 645 HB2 ARG 12 HB2 ARG 12 -7.564 25.033 18.905 646 HB3 ARG 12 HB3 ARG 12 -8.407 24.945 20.437 647 HG2 ARG 12 HG2 ARG 12 -10.244 25.296 19.301 648 HG3 ARG 12 HG3 ARG 12 -9.822 26.978 19.345 649 HD2 ARG 12 HD2 ARG 12 -10.437 26.338 17.067 650 HD3 ARG 12 HD3 ARG 12 -8.738 26.771 17.092 651 HE ARG 12 HE ARG 12 -9.892 24.020 16.866 652 HH11 ARG 12 HH12 ARG 12 -6.995 26.028 16.496 653 HH12 ARG 12 HH11 ARG 12 -6.407 24.972 15.263 654 HH21 ARG 12 HH22 ARG 12 -8.791 22.583 15.550 655 HH22 ARG 12 HH21 ARG 12 -7.191 22.987 15.003 656 H PHE 13 H PHE 13 -5.295 28.133 20.645 657 HA PHE 13 HA PHE 13 -3.053 26.469 20.046 658 HB2 PHE 13 HB2 PHE 13 -3.397 28.914 21.833 659 HB3 PHE 13 HB3 PHE 13 -1.868 28.279 21.294 660 HD1 PHE 13 HD1 PHE 13 -3.526 27.784 18.339 661 HD2 PHE 13 HD2 PHE 13 -2.454 31.070 20.928 662 HE1 PHE 13 HE1 PHE 13 -3.655 29.334 16.427 663 HE2 PHE 13 HE2 PHE 13 -2.580 32.622 18.994 664 HZ PHE 13 HZ PHE 13 -3.181 31.757 16.739 665 H THR 14 H THR 14 -1.341 25.892 21.733 666 HA THR 14 HA THR 14 -2.011 23.793 23.214 667 HB THR 14 HB THR 14 0.253 24.491 22.732 668 HG1 THR 14 HG1 THR 14 1.152 23.620 24.578 669 HG21 THR 14 HG21 THR 14 0.190 26.229 25.228 670 HG22 THR 14 HG22 THR 14 0.142 26.871 23.568 671 HG23 THR 14 HG23 THR 14 1.547 25.954 24.124 672 H GLU 15 H GLU 15 -2.101 27.026 24.887 673 HA GLU 15 HA GLU 15 -3.100 25.833 27.357 674 HB2 GLU 15 HB2 GLU 15 -3.029 28.721 26.402 675 HB3 GLU 15 HB3 GLU 15 -3.510 28.192 28.020 676 HG2 GLU 15 HG2 GLU 15 -1.257 27.122 28.308 677 HG3 GLU 15 HG3 GLU 15 -0.767 27.803 26.755 678 H GLU 16 H GLU 16 -4.626 27.203 24.542 679 HA GLU 16 HA GLU 16 -7.390 26.998 25.604 680 HB2 GLU 16 HB2 GLU 16 -6.442 27.956 22.880 681 HB3 GLU 16 HB3 GLU 16 -8.049 28.124 23.561 682 HG2 GLU 16 HG2 GLU 16 -5.523 29.537 24.495 683 HG3 GLU 16 HG3 GLU 16 -6.890 30.244 23.650 684 H GLU 17 H GLU 17 -5.263 24.876 24.334 685 HA GLU 17 HA GLU 17 -6.610 23.533 22.329 686 HB2 GLU 17 HB2 GLU 17 -4.218 23.339 23.025 687 HB3 GLU 17 HB3 GLU 17 -4.727 22.283 24.354 688 HG2 GLU 17 HG2 GLU 17 -5.649 20.687 22.598 689 HG3 GLU 17 HG3 GLU 17 -5.034 21.787 21.368 690 H GLN 18 H GLN 18 -7.473 23.343 25.609 691 HA GLN 18 HA GLN 18 -8.562 21.002 26.146 692 HB2 GLN 18 HB2 GLN 18 -10.217 21.806 27.559 693 HB3 GLN 18 HB3 GLN 18 -8.984 23.053 27.606 694 HG2 GLN 18 HG2 GLN 18 -11.587 23.161 26.027 695 HG3 GLN 18 HG3 GLN 18 -11.208 23.924 27.596 696 HE21 GLN 18 HE22 GLN 18 -11.247 24.501 24.285 697 HE22 GLN 18 HE21 GLN 18 -9.939 25.685 24.193 698 H LYS 19 H LYS 19 -10.011 23.023 23.738 699 HA LYS 19 HA LYS 19 -12.221 21.522 22.887 700 HB2 LYS 19 HB2 LYS 19 -11.784 23.580 21.881 701 HB3 LYS 19 HB3 LYS 19 -10.142 23.226 21.645 702 HG2 LYS 19 HG2 LYS 19 -11.666 23.434 19.655 703 HG3 LYS 19 HG3 LYS 19 -10.414 22.178 19.728 704 HD2 LYS 19 HD2 LYS 19 -11.779 20.473 19.580 705 HD3 LYS 19 HD3 LYS 19 -13.059 21.225 20.514 706 HE2 LYS 19 HE2 LYS 19 -13.359 22.756 18.396 707 HE3 LYS 19 HE3 LYS 19 -12.186 21.724 17.588 708 HZ1 LYS 19 HZ1 LYS 19 -13.781 19.857 17.846 709 HZ2 LYS 19 HZ2 LYS 19 -14.471 21.098 17.045 710 HZ3 LYS 19 HZ3 LYS 19 -14.848 20.860 18.611 711 H LEU 20 H LEU 20 -8.953 21.142 21.653 712 HA LEU 20 HA LEU 20 -9.519 18.803 20.062 713 HB2 LEU 20 HB2 LEU 20 -6.858 20.120 20.832 714 HB3 LEU 20 HB3 LEU 20 -7.075 19.004 19.541 715 HG LEU 20 HG LEU 20 -6.856 20.890 18.410 716 HD11 LEU 20 HD11 LEU 20 -8.704 19.781 17.473 717 HD12 LEU 20 HD12 LEU 20 -9.106 21.509 17.480 718 HD13 LEU 20 HD13 LEU 20 -9.848 20.408 18.645 719 HD21 LEU 20 HD21 LEU 20 -8.444 22.335 20.552 720 HD22 LEU 20 HD22 LEU 20 -7.968 22.991 18.978 721 HD23 LEU 20 HD23 LEU 20 -6.742 22.441 20.130 722 H LEU 21 H LEU 21 -8.040 19.560 23.088 723 HA LEU 21 HA LEU 21 -7.031 16.972 23.878 724 HB2 LEU 21 HB2 LEU 21 -6.143 18.352 25.424 725 HB3 LEU 21 HB3 LEU 21 -7.349 19.588 25.162 726 HG LEU 21 HG LEU 21 -8.940 18.350 26.589 727 HD11 LEU 21 HD11 LEU 21 -6.502 16.741 27.579 728 HD12 LEU 21 HD12 LEU 21 -7.606 16.021 26.445 729 HD13 LEU 21 HD13 LEU 21 -8.202 16.502 28.033 730 HD21 LEU 21 HD21 LEU 21 -6.563 18.875 28.291 731 HD22 LEU 21 HD22 LEU 21 -8.322 18.752 28.663 732 HD23 LEU 21 HD23 LEU 21 -7.704 20.097 27.705 733 H LEU 22 H LEU 22 -10.393 18.578 24.273 734 HA LEU 22 HA LEU 22 -10.855 16.406 26.103 735 HB2 LEU 22 HB2 LEU 22 -12.448 18.724 25.309 736 HB3 LEU 22 HB3 LEU 22 -13.443 17.306 25.243 737 HG LEU 22 HG LEU 22 -13.586 18.369 27.405 738 HD11 LEU 22 HD11 LEU 22 -12.201 15.673 27.656 739 HD12 LEU 22 HD12 LEU 22 -13.909 15.926 27.262 740 HD13 LEU 22 HD13 LEU 22 -13.276 16.431 28.838 741 HD21 LEU 22 HD21 LEU 22 -10.681 17.653 27.903 742 HD22 LEU 22 HD22 LEU 22 -11.806 18.421 29.020 743 HD23 LEU 22 HD23 LEU 22 -11.285 19.294 27.564 744 H ASN 23 H ASN 23 -11.656 17.219 22.794 745 HA ASN 23 HA ASN 23 -13.038 15.028 21.777 746 HB2 ASN 23 HB2 ASN 23 -11.059 17.101 20.720 747 HB3 ASN 23 HB3 ASN 23 -11.724 15.960 19.671 748 HD21 ASN 23 HD21 ASN 23 -12.132 18.692 19.557 749 HD22 ASN 23 HD22 ASN 23 -13.792 19.068 19.969 750 H ILE 24 H ILE 24 -9.407 15.108 22.286 751 HA ILE 24 HA ILE 24 -9.330 12.379 21.115 752 HB ILE 24 HB ILE 24 -7.055 12.250 21.624 753 HG12 ILE 24 HG12 ILE 24 -7.307 14.833 23.161 754 HG13 ILE 24 HG13 ILE 24 -6.952 13.261 23.819 755 HG21 ILE 24 HG21 ILE 24 -6.191 13.931 20.140 756 HG22 ILE 24 HG22 ILE 24 -7.802 13.465 19.594 757 HG23 ILE 24 HG23 ILE 24 -7.572 14.996 20.449 758 HD11 ILE 24 HD11 ILE 24 -4.807 13.228 22.507 759 HD12 ILE 24 HD12 ILE 24 -5.143 14.906 22.008 760 HD13 ILE 24 HD13 ILE 24 -4.907 14.522 23.720 761 H LEU 25 H LEU 25 -9.704 13.800 24.283 762 HA LEU 25 HA LEU 25 -8.946 11.463 25.730 763 HB2 LEU 25 HB2 LEU 25 -8.678 13.769 26.522 764 HB3 LEU 25 HB3 LEU 25 -10.428 13.974 26.579 765 HG LEU 25 HG LEU 25 -10.598 12.261 28.361 766 HD11 LEU 25 HD11 LEU 25 -8.646 10.848 27.872 767 HD12 LEU 25 HD12 LEU 25 -8.516 11.495 29.509 768 HD13 LEU 25 HD13 LEU 25 -7.548 12.210 28.199 769 HD21 LEU 25 HD21 LEU 25 -10.277 14.661 28.924 770 HD22 LEU 25 HD22 LEU 25 -8.520 14.389 28.995 771 HD23 LEU 25 HD23 LEU 25 -9.598 13.574 30.146 772 H ILE 26 H ILE 26 -12.088 12.670 24.606 773 HA ILE 26 HA ILE 26 -13.667 10.709 26.075 774 HB ILE 26 HB ILE 26 -15.577 11.561 24.905 775 HG12 ILE 26 HG12 ILE 26 -13.804 13.410 23.273 776 HG13 ILE 26 HG13 ILE 26 -14.392 11.875 22.652 777 HG21 ILE 26 HG21 ILE 26 -15.573 13.841 25.739 778 HG22 ILE 26 HG22 ILE 26 -14.780 12.742 26.869 779 HG23 ILE 26 HG23 ILE 26 -13.809 13.828 25.871 780 HD11 ILE 26 HD11 ILE 26 -16.118 14.219 23.531 781 HD12 ILE 26 HD12 ILE 26 -15.869 13.607 21.887 782 HD13 ILE 26 HD13 ILE 26 -16.745 12.614 23.076 783 H ASN 27 H ASN 27 -15.510 9.816 24.338 784 HA ASN 27 HA ASN 27 -14.745 7.271 23.804 785 HB2 ASN 27 HB2 ASN 27 -16.863 8.739 22.168 786 HB3 ASN 27 HB3 ASN 27 -16.849 7.044 22.635 787 HD21 ASN 27 HD22 ASN 27 -17.889 10.194 23.486 788 HD22 ASN 27 HD21 ASN 27 -18.390 9.853 25.126 789 H HIS 28 H HIS 28 -14.696 9.880 21.348 790 HA HIS 28 HA HIS 28 -12.683 8.500 19.784 791 HB2 HIS 28 HB2 HIS 28 -13.936 8.467 17.680 792 HB3 HIS 28 HB3 HIS 28 -14.730 7.453 18.871 793 HD1 HIS 28 HD1 HIS 28 -15.204 10.936 17.202 794 HD2 HIS 28 HD2 HIS 28 -17.249 8.018 19.456 795 HE1 HIS 28 HE1 HIS 28 -17.659 11.621 17.205 796 H GLU 29 H GLU 29 -11.852 9.832 18.018 797 HA GLU 29 HA GLU 29 -11.431 12.570 18.684 798 HB2 GLU 29 HB2 GLU 29 -11.015 11.075 16.068 799 HB3 GLU 29 HB3 GLU 29 -10.436 12.714 16.396 800 HG2 GLU 29 HG2 GLU 29 -9.062 11.892 18.269 801 HG3 GLU 29 HG3 GLU 29 -9.641 10.248 18.007 802 H TYR 30 H TYR 30 -12.210 14.491 17.841 803 HA TYR 30 HA TYR 30 -14.795 14.345 16.330 804 HB2 TYR 30 HB2 TYR 30 -15.088 14.258 18.837 805 HB3 TYR 30 HB3 TYR 30 -14.308 15.848 18.890 806 HD1 TYR 30 HD1 TYR 30 -17.067 14.198 16.896 807 HD2 TYR 30 HD2 TYR 30 -15.742 17.675 19.079 808 HE1 TYR 30 HE1 TYR 30 -19.213 15.322 16.407 809 HE2 TYR 30 HE2 TYR 30 -17.905 18.782 18.640 810 HH TYR 30 HH TYR 30 -20.539 17.165 16.795 811 H ALA 31 H ALA 31 -12.110 16.636 17.319 812 HA ALA 31 HA ALA 31 -13.031 18.901 16.084 813 HB1 ALA 31 HB1 ALA 31 -10.220 17.765 15.961 814 HB2 ALA 31 HB2 ALA 31 -10.681 19.463 15.746 815 HB3 ALA 31 HB3 ALA 31 -10.935 18.676 17.328 816 H ILE 32 H ILE 32 -11.344 16.194 14.500 817 HA ILE 32 HA ILE 32 -11.325 17.014 11.889 818 HB ILE 32 HB ILE 32 -11.584 14.314 13.229 819 HG12 ILE 32 HG12 ILE 32 -9.277 13.963 12.354 820 HG13 ILE 32 HG13 ILE 32 -9.300 15.596 11.687 821 HG21 ILE 32 HG21 ILE 32 -10.958 13.267 11.060 822 HG22 ILE 32 HG22 ILE 32 -12.581 13.938 11.044 823 HG23 ILE 32 HG23 ILE 32 -11.268 14.856 10.277 824 HD11 ILE 32 HD11 ILE 32 -9.235 16.541 13.911 825 HD12 ILE 32 HD12 ILE 32 -9.680 14.973 14.651 826 HD13 ILE 32 HD13 ILE 32 -8.085 15.191 13.926 827 H GLU 33 H GLU 33 -14.006 15.316 13.522 828 HA GLU 33 HA GLU 33 -15.758 15.133 11.296 829 HB2 GLU 33 HB2 GLU 33 -16.076 14.063 13.557 830 HB3 GLU 33 HB3 GLU 33 -16.746 15.621 14.113 831 HG2 GLU 33 HG2 GLU 33 -18.423 15.541 12.296 832 HG3 GLU 33 HG3 GLU 33 -17.714 14.041 11.693 833 H LEU 34 H LEU 34 -15.258 17.863 13.559 834 HA LEU 34 HA LEU 34 -17.132 19.605 12.264 835 HB2 LEU 34 HB2 LEU 34 -14.780 19.979 14.150 836 HB3 LEU 34 HB3 LEU 34 -15.471 21.356 13.354 837 HG LEU 34 HG LEU 34 -16.271 20.829 15.671 838 HD11 LEU 34 HD11 LEU 34 -17.472 22.386 14.139 839 HD12 LEU 34 HD12 LEU 34 -18.583 21.540 15.226 840 HD13 LEU 34 HD13 LEU 34 -18.438 21.026 13.533 841 HD21 LEU 34 HD21 LEU 34 -16.636 18.426 15.528 842 HD22 LEU 34 HD22 LEU 34 -17.966 18.687 14.369 843 HD23 LEU 34 HD23 LEU 34 -18.097 19.306 16.017 844 H LEU 35 H LEU 35 -13.609 18.966 11.670 845 HA LEU 35 HA LEU 35 -13.214 21.076 9.828 846 HB2 LEU 35 HB2 LEU 35 -11.364 19.613 10.586 847 HB3 LEU 35 HB3 LEU 35 -12.091 18.227 9.833 848 HG LEU 35 HG LEU 35 -11.742 19.065 7.598 849 HD11 LEU 35 HD11 LEU 35 -10.411 20.988 7.079 850 HD12 LEU 35 HD12 LEU 35 -10.152 21.355 8.785 851 HD13 LEU 35 HD13 LEU 35 -11.764 21.536 8.078 852 HD21 LEU 35 HD21 LEU 35 -10.044 17.664 8.678 853 HD22 LEU 35 HD22 LEU 35 -9.219 19.116 9.287 854 HD23 LEU 35 HD23 LEU 35 -9.332 18.810 7.535 855 H SER 36 H SER 36 -14.238 17.656 8.992 856 HA SER 36 HA SER 36 -14.600 18.304 6.250 857 HB2 SER 36 HB2 SER 36 -14.330 16.027 7.259 858 HB3 SER 36 HB3 SER 36 -16.024 16.133 7.779 859 HG SER 36 HG SER 36 -14.961 16.156 5.137 860 H SER 37 H SER 37 -16.878 18.416 8.983 861 HA SER 37 HA SER 37 -19.227 18.919 7.491 862 HB2 SER 37 HB2 SER 37 -19.129 18.292 9.895 863 HB3 SER 37 HB3 SER 37 -18.587 19.940 10.280 864 HG SER 37 HG SER 37 -20.876 19.690 10.466 865 H GLU 38 H GLU 38 -16.826 21.059 8.960 866 HA GLU 38 HA GLU 38 -17.978 23.606 8.305 867 HB2 GLU 38 HB2 GLU 38 -15.295 22.661 9.335 868 HB3 GLU 38 HB3 GLU 38 -15.361 24.246 8.747 869 HG2 GLU 38 HG2 GLU 38 -17.141 23.121 10.950 870 HG3 GLU 38 HG3 GLU 38 -15.758 24.191 11.171 871 H ILE 39 H ILE 39 -15.290 21.809 6.717 872 HA ILE 39 HA ILE 39 -14.813 23.844 4.741 873 HB ILE 39 HB ILE 39 -13.749 22.076 3.432 874 HG12 ILE 39 HG12 ILE 39 -13.377 19.920 5.125 875 HG13 ILE 39 HG13 ILE 39 -15.081 20.273 5.318 876 HG21 ILE 39 HG21 ILE 39 -12.464 23.340 5.019 877 HG22 ILE 39 HG22 ILE 39 -13.052 22.377 6.379 878 HG23 ILE 39 HG23 ILE 39 -11.942 21.659 5.196 879 HD11 ILE 39 HD11 ILE 39 -13.646 19.778 2.672 880 HD12 ILE 39 HD12 ILE 39 -14.673 18.610 3.530 881 HD13 ILE 39 HD13 ILE 39 -15.385 20.080 2.836 882 H ASN 40 H ASN 40 -16.946 20.965 4.720 883 HA ASN 40 HA ASN 40 -18.006 21.812 2.147 884 HB2 ASN 40 HB2 ASN 40 -19.395 20.104 2.107 885 HB3 ASN 40 HB3 ASN 40 -18.137 19.476 3.169 886 HD21 ASN 40 HD21 ASN 40 -18.749 18.870 5.228 887 HD22 ASN 40 HD22 ASN 40 -20.413 18.962 5.796 888 H ASP 41 H ASP 41 -18.805 22.957 5.367 889 HA ASP 41 HA ASP 41 -21.277 24.298 4.672 890 HB2 ASP 41 HB2 ASP 41 -19.966 23.762 6.979 891 HB3 ASP 41 HB3 ASP 41 -19.425 25.395 6.729 892 H ILE 42 H ILE 42 -17.847 25.090 4.193 893 HA ILE 42 HA ILE 42 -18.544 27.711 2.983 894 HB ILE 42 HB ILE 42 -15.903 26.233 3.198 895 HG12 ILE 42 HG12 ILE 42 -15.284 28.342 4.473 896 HG13 ILE 42 HG13 ILE 42 -16.976 28.829 4.425 897 HG21 ILE 42 HG21 ILE 42 -14.866 28.288 2.237 898 HG22 ILE 42 HG22 ILE 42 -15.856 27.439 1.063 899 HG23 ILE 42 HG23 ILE 42 -16.484 28.908 1.847 900 HD11 ILE 42 HD11 ILE 42 -17.585 26.890 5.820 901 HD12 ILE 42 HD12 ILE 42 -15.938 26.254 5.650 902 HD13 ILE 42 HD13 ILE 42 -16.212 27.734 6.567 903 H GLU 43 H GLU 43 -17.356 24.561 1.750 904 HA GLU 43 HA GLU 43 -17.119 25.346 -0.929 905 HB2 GLU 43 HB2 GLU 43 -16.285 23.252 0.408 906 HB3 GLU 43 HB3 GLU 43 -17.792 22.509 -0.068 907 HG2 GLU 43 HG2 GLU 43 -16.058 21.826 -1.576 908 HG3 GLU 43 HG3 GLU 43 -17.189 22.842 -2.465 909 H THR 44 H THR 44 -19.848 23.796 0.659 910 HA THR 44 HA THR 44 -21.600 24.450 -1.698 911 HB THR 44 HB THR 44 -21.129 22.081 -1.706 912 HG1 THR 44 HG1 THR 44 -23.254 21.411 -1.781 913 HG21 THR 44 HG21 THR 44 -20.729 21.546 0.608 914 HG22 THR 44 HG22 THR 44 -22.108 20.597 0.050 915 HG23 THR 44 HG23 THR 44 -22.375 22.027 1.072 916 H GLY 45 H GLY 45 -21.492 24.194 1.898 917 HA2 GLY 45 HA2 GLY 45 -24.198 24.995 2.320 918 HA3 GLY 45 HA3 GLY 45 -22.866 25.208 3.459 919 H THR 46 H THR 46 -21.378 26.891 1.489 920 HA THR 46 HA THR 46 -20.972 29.014 1.020 921 HB THR 46 HB THR 46 -23.888 29.607 0.490 922 HG1 THR 46 HG1 THR 46 -23.318 27.610 -0.497 923 HG21 THR 46 HG21 THR 46 -21.253 30.396 -0.846 924 HG22 THR 46 HG22 THR 46 -22.231 31.455 0.193 925 HG23 THR 46 HG23 THR 46 -22.874 30.919 -1.366 926 H LYS 47 H LYS 47 -20.993 28.458 3.600 927 HA LYS 47 HA LYS 47 -22.227 29.830 5.582 928 HB2 LYS 47 HB2 LYS 47 -19.313 29.212 4.998 929 HB3 LYS 47 HB3 LYS 47 -19.667 30.225 6.394 930 HG2 LYS 47 HG2 LYS 47 -21.019 27.564 5.972 931 HG3 LYS 47 HG3 LYS 47 -19.491 27.739 6.853 932 HD2 LYS 47 HD2 LYS 47 -21.623 29.626 7.611 933 HD3 LYS 47 HD3 LYS 47 -22.061 27.956 7.923 934 HE2 LYS 47 HE2 LYS 47 -19.585 29.379 9.010 935 HE3 LYS 47 HE3 LYS 47 -21.084 29.041 9.882 936 HZ1 LYS 47 HZ1 LYS 47 -19.705 27.254 10.474 937 HZ2 LYS 47 HZ2 LYS 47 -19.013 27.103 9.031 938 HZ3 LYS 47 HZ3 LYS 47 -20.560 26.596 9.234 939 H ASN 48 H ASN 48 -19.464 31.274 4.118 940 HA ASN 48 HA ASN 48 -18.783 33.419 3.631 941 HB2 ASN 48 HB2 ASN 48 -20.268 32.566 1.800 942 HB3 ASN 48 HB3 ASN 48 -21.602 33.478 2.504 943 HD21 ASN 48 HD21 ASN 48 -21.949 35.251 1.187 944 HD22 ASN 48 HD22 ASN 48 -20.662 36.254 0.534 945 H VAL 49 H VAL 49 -19.245 33.565 6.245 946 HA VAL 49 HA VAL 49 -20.595 36.184 6.727 947 HB VAL 49 HB VAL 49 -20.508 35.832 9.008 948 HG11 VAL 49 HG11 VAL 49 -21.114 33.065 7.917 949 HG12 VAL 49 HG12 VAL 49 -21.757 33.827 9.383 950 HG13 VAL 49 HG13 VAL 49 -22.201 34.466 7.792 951 HG21 VAL 49 HG21 VAL 49 -19.442 33.798 10.095 952 HG22 VAL 49 HG22 VAL 49 -18.556 33.558 8.568 953 HG23 VAL 49 HG23 VAL 49 -18.345 35.047 9.526 954 H ASP 50 H ASP 50 -18.939 37.182 8.732 955 HA ASP 50 HA ASP 50 -16.599 38.293 7.514 956 HB2 ASP 50 HB2 ASP 50 -18.040 38.968 9.602 957 HB3 ASP 50 HB3 ASP 50 -17.058 37.811 10.478 958 H GLY 51 H GLY 51 -14.283 37.889 8.741 959 HA2 GLY 51 HA2 GLY 51 -13.201 35.521 8.138 960 HA3 GLY 51 HA3 GLY 51 -12.578 36.547 9.412 961 H THR 52 H THR 52 -15.429 35.638 10.763 962 HA THR 52 HA THR 52 -14.478 33.785 12.642 963 HB THR 52 HB THR 52 -17.246 34.183 11.446 964 HG1 THR 52 HG1 THR 52 -17.525 35.383 13.339 965 HG21 THR 52 HG21 THR 52 -17.259 32.012 12.501 966 HG22 THR 52 HG22 THR 52 -18.078 33.158 13.563 967 HG23 THR 52 HG23 THR 52 -16.399 32.652 13.928 968 H THR 53 H THR 53 -16.535 32.819 9.756 969 HA THR 53 HA THR 53 -16.038 30.092 10.175 970 HB THR 53 HB THR 53 -17.924 31.232 8.957 971 HG1 THR 53 HG1 THR 53 -16.640 28.977 7.876 972 HG21 THR 53 HG21 THR 53 -16.571 32.560 7.313 973 HG22 THR 53 HG22 THR 53 -17.831 31.563 6.581 974 HG23 THR 53 HG23 THR 53 -16.145 31.035 6.496 975 H TYR 54 H TYR 54 -14.302 32.389 8.141 976 HA TYR 54 HA TYR 54 -12.501 30.681 6.741 977 HB2 TYR 54 HB2 TYR 54 -12.191 33.477 7.932 978 HB3 TYR 54 HB3 TYR 54 -10.963 32.714 6.960 979 HD1 TYR 54 HD2 TYR 54 -14.435 34.068 6.846 980 HD2 TYR 54 HD1 TYR 54 -11.123 32.473 4.585 981 HE1 TYR 54 HE2 TYR 54 -15.512 34.838 4.733 982 HE2 TYR 54 HE1 TYR 54 -12.202 33.238 2.470 983 HH TYR 54 HH TYR 54 -13.998 34.304 1.524 984 H LYS 55 H LYS 55 -12.003 32.457 9.837 985 HA LYS 55 HA LYS 55 -9.628 31.308 10.520 986 HB2 LYS 55 HB2 LYS 55 -10.591 33.442 11.280 987 HB3 LYS 55 HB3 LYS 55 -11.747 32.592 12.249 988 HG2 LYS 55 HG2 LYS 55 -9.872 32.982 13.786 989 HG3 LYS 55 HG3 LYS 55 -9.473 31.387 13.183 990 HD2 LYS 55 HD2 LYS 55 -8.345 32.754 11.183 991 HD3 LYS 55 HD3 LYS 55 -8.348 34.071 12.343 992 HE2 LYS 55 HE2 LYS 55 -7.153 32.629 14.007 993 HE3 LYS 55 HE3 LYS 55 -7.096 31.328 12.817 994 HZ1 LYS 55 HZ1 LYS 55 -5.817 33.997 12.495 995 HZ2 LYS 55 HZ2 LYS 55 -5.760 32.801 11.382 996 HZ3 LYS 55 HZ3 LYS 55 -5.028 32.611 12.829 997 H LYS 56 H LYS 56 -12.871 30.211 11.606 998 HA LYS 56 HA LYS 56 -11.978 27.905 13.072 999 HB2 LYS 56 HB2 LYS 56 -14.539 28.518 11.655 1000 HB3 LYS 56 HB3 LYS 56 -14.198 26.886 12.259 1001 HG2 LYS 56 HG2 LYS 56 -15.157 27.755 14.127 1002 HG3 LYS 56 HG3 LYS 56 -13.496 28.225 14.479 1003 HD2 LYS 56 HD2 LYS 56 -13.862 30.460 13.663 1004 HD3 LYS 56 HD3 LYS 56 -15.529 30.104 13.161 1005 HE2 LYS 56 HE2 LYS 56 -14.480 29.672 15.966 1006 HE3 LYS 56 HE3 LYS 56 -15.084 31.256 15.448 1007 HZ1 LYS 56 HZ1 LYS 56 -16.705 28.760 15.434 1008 HZ2 LYS 56 HZ2 LYS 56 -17.252 30.256 15.057 1009 HZ3 LYS 56 HZ3 LYS 56 -16.783 29.908 16.583 1010 H LEU 57 H LEU 57 -12.453 28.132 9.500 1011 HA LEU 57 HA LEU 57 -11.783 25.339 9.087 1012 HB2 LEU 57 HB2 LEU 57 -13.241 26.388 7.711 1013 HB3 LEU 57 HB3 LEU 57 -12.197 27.757 7.316 1014 HG LEU 57 HG LEU 57 -11.584 24.912 6.423 1015 HD11 LEU 57 HD11 LEU 57 -13.097 27.130 4.968 1016 HD12 LEU 57 HD12 LEU 57 -13.783 25.609 5.574 1017 HD13 LEU 57 HD13 LEU 57 -12.609 25.582 4.250 1018 HD21 LEU 57 HD21 LEU 57 -10.361 26.125 4.568 1019 HD22 LEU 57 HD22 LEU 57 -9.627 26.379 6.138 1020 HD23 LEU 57 HD23 LEU 57 -10.653 27.647 5.432 1021 H VAL 58 H VAL 58 -9.870 28.347 8.838 1022 HA VAL 58 HA VAL 58 -7.531 26.841 7.999 1023 HB VAL 58 HB VAL 58 -8.151 29.133 7.231 1024 HG11 VAL 58 HG11 VAL 58 -6.801 30.141 9.760 1025 HG12 VAL 58 HG12 VAL 58 -7.590 31.078 8.458 1026 HG13 VAL 58 HG13 VAL 58 -8.549 30.043 9.516 1027 HG21 VAL 58 HG21 VAL 58 -5.966 28.159 6.742 1028 HG22 VAL 58 HG22 VAL 58 -5.861 29.910 6.981 1029 HG23 VAL 58 HG23 VAL 58 -5.324 28.817 8.274 1030 H THR 59 H THR 59 -8.793 27.841 11.101 1031 HA THR 59 HA THR 59 -6.301 27.406 12.543 1032 HB THR 59 HB THR 59 -8.263 28.786 13.392 1033 HG1 THR 59 HG1 THR 59 -6.534 28.359 14.685 1034 HG21 THR 59 HG21 THR 59 -10.038 27.206 13.188 1035 HG22 THR 59 HG22 THR 59 -9.817 27.556 14.901 1036 HG23 THR 59 HG23 THR 59 -9.269 26.021 14.224 1037 H LEU 60 H LEU 60 -9.107 25.412 11.679 1038 HA LEU 60 HA LEU 60 -8.618 23.014 13.015 1039 HB2 LEU 60 HB2 LEU 60 -9.805 23.649 10.403 1040 HB3 LEU 60 HB3 LEU 60 -9.048 22.069 10.479 1041 HG LEU 60 HG LEU 60 -11.367 21.921 10.939 1042 HD11 LEU 60 HD11 LEU 60 -11.468 20.601 12.867 1043 HD12 LEU 60 HD12 LEU 60 -10.025 21.347 13.591 1044 HD13 LEU 60 HD13 LEU 60 -9.878 20.310 12.151 1045 HD21 LEU 60 HD21 LEU 60 -12.025 23.932 11.791 1046 HD22 LEU 60 HD22 LEU 60 -10.859 23.893 13.136 1047 HD23 LEU 60 HD23 LEU 60 -12.294 22.817 13.128 1048 H TYR 61 H TYR 61 -7.114 23.842 9.884 1049 HA TYR 61 HA TYR 61 -5.134 21.725 10.126 1050 HB2 TYR 61 HB2 TYR 61 -4.502 22.089 8.074 1051 HB3 TYR 61 HB3 TYR 61 -5.889 23.184 7.956 1052 HD1 TYR 61 HD2 TYR 61 -2.216 22.850 8.176 1053 HD2 TYR 61 HD1 TYR 61 -5.454 25.666 7.877 1054 HE1 TYR 61 HE2 TYR 61 -0.607 24.603 7.517 1055 HE2 TYR 61 HE1 TYR 61 -3.811 27.449 7.271 1056 HH TYR 61 HH TYR 61 -1.615 27.989 6.931 1057 H ASP 62 H ASP 62 -5.031 25.129 10.959 1058 HA ASP 62 HA ASP 62 -2.280 25.457 11.463 1059 HB2 ASP 62 HB2 ASP 62 -3.970 27.309 11.569 1060 HB3 ASP 62 HB3 ASP 62 -4.468 26.680 13.153 1061 H ARG 63 H ARG 63 -4.637 23.638 13.432 1062 HA ARG 63 HA ARG 63 -2.190 22.790 14.978 1063 HB2 ARG 63 HB2 ARG 63 -4.948 22.782 16.212 1064 HB3 ARG 63 HB3 ARG 63 -3.411 22.319 16.962 1065 HG2 ARG 63 HG2 ARG 63 -4.121 25.127 16.113 1066 HG3 ARG 63 HG3 ARG 63 -4.090 24.439 17.752 1067 HD2 ARG 63 HD2 ARG 63 -1.908 24.513 17.998 1068 HD3 ARG 63 HD3 ARG 63 -1.534 24.129 16.328 1069 HE ARG 63 HE ARG 63 -2.368 26.530 15.809 1070 HH11 ARG 63 HH21 ARG 63 -0.212 25.723 18.474 1071 HH12 ARG 63 HH22 ARG 63 0.643 27.230 18.283 1072 HH21 ARG 63 HH11 ARG 63 -1.314 28.235 15.614 1073 HH22 ARG 63 HH12 ARG 63 0.015 28.689 16.686 1074 H PHE 64 H PHE 64 -4.938 21.446 13.225 1075 HA PHE 64 HA PHE 64 -4.452 18.742 14.035 1076 HB2 PHE 64 HB2 PHE 64 -6.514 19.325 12.977 1077 HB3 PHE 64 HB3 PHE 64 -5.668 20.039 11.605 1078 HD1 PHE 64 HD2 PHE 64 -6.614 16.800 13.212 1079 HD2 PHE 64 HD1 PHE 64 -4.891 18.706 9.776 1080 HE1 PHE 64 HE2 PHE 64 -6.720 14.647 11.955 1081 HE2 PHE 64 HE1 PHE 64 -4.961 16.578 8.523 1082 HZ PHE 64 HZ PHE 64 -5.869 14.522 9.628 1083 H ARG 65 H ARG 65 -3.046 20.635 11.257 1084 HA ARG 65 HA ARG 65 -1.578 18.352 10.231 1085 HB2 ARG 65 HB2 ARG 65 -1.706 21.367 9.726 1086 HB3 ARG 65 HB3 ARG 65 -0.573 20.433 8.891 1087 HG2 ARG 65 HG2 ARG 65 -3.529 20.015 8.782 1088 HG3 ARG 65 HG3 ARG 65 -2.583 20.804 7.522 1089 HD2 ARG 65 HD2 ARG 65 -2.092 17.943 8.347 1090 HD3 ARG 65 HD3 ARG 65 -3.226 18.379 7.085 1091 HE ARG 65 HE ARG 65 -1.487 19.045 5.656 1092 HH11 ARG 65 HH21 ARG 65 0.050 17.943 8.645 1093 HH12 ARG 65 HH22 ARG 65 1.536 17.644 7.803 1094 HH21 ARG 65 HH11 ARG 65 0.328 18.605 4.727 1095 HH22 ARG 65 HH12 ARG 65 1.718 18.045 5.636 1096 H PHE 66 H PHE 66 -0.917 21.019 12.184 1097 HA PHE 66 HA PHE 66 1.970 20.445 12.478 1098 HB2 PHE 66 HB2 PHE 66 0.264 22.738 13.472 1099 HB3 PHE 66 HB3 PHE 66 1.983 22.596 13.769 1100 HD1 PHE 66 HD1 PHE 66 3.438 22.070 11.512 1101 HD2 PHE 66 HD2 PHE 66 -0.342 24.135 11.684 1102 HE1 PHE 66 HE1 PHE 66 3.971 23.232 9.383 1103 HE2 PHE 66 HE2 PHE 66 0.220 25.340 9.596 1104 HZ PHE 66 HZ PHE 66 2.366 24.874 8.422 1105 H GLU 67 H GLU 67 -0.566 21.031 14.995 1106 HA GLU 67 HA GLU 67 1.472 20.324 17.018 1107 HB2 GLU 67 HB2 GLU 67 -1.137 21.928 17.133 1108 HB3 GLU 67 HB3 GLU 67 -0.251 21.428 18.555 1109 HG2 GLU 67 HG2 GLU 67 0.840 23.158 16.293 1110 HG3 GLU 67 HG3 GLU 67 0.315 23.729 17.871 1111 H ASN 68 H ASN 68 -1.792 19.376 16.255 1112 HA ASN 68 HA ASN 68 -1.617 17.111 18.149 1113 HB2 ASN 68 HB2 ASN 68 -4.072 17.543 18.779 1114 HB3 ASN 68 HB3 ASN 68 -2.808 18.507 19.504 1115 HD21 ASN 68 HD22 ASN 68 -3.348 20.598 19.769 1116 HD22 ASN 68 HD21 ASN 68 -4.418 21.469 18.676 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -2.708 -6.376 2.029 2 H2 GLY 1 H2 GLY 1 -3.042 -5.512 3.383 3 H3 GLY 1 H3 GLY 1 -2.046 -6.813 3.465 4 HA2 GLY 1 HA2 GLY 1 -0.742 -4.798 3.575 5 HA3 GLY 1 HA3 GLY 1 -0.393 -5.718 2.096 6 H SER 2 H SER 2 0.325 -3.820 1.033 7 HA SER 2 HA SER 2 -1.196 -1.427 0.736 8 HB2 SER 2 HB2 SER 2 0.981 -2.551 -1.063 9 HB3 SER 2 HB3 SER 2 0.422 -0.867 -1.010 10 HG SER 2 HG SER 2 2.319 -1.207 0.256 11 H HIS 3 H HIS 3 -2.109 -0.513 -1.201 12 HA HIS 3 HA HIS 3 -2.989 -2.335 -3.349 13 HB2 HIS 3 HB2 HIS 3 -4.769 -2.301 -1.545 14 HB3 HIS 3 HB3 HIS 3 -4.992 -0.575 -1.849 15 HD1 HIS 3 HD1 HIS 3 -5.384 -3.985 -3.660 16 HD2 HIS 3 HD2 HIS 3 -6.448 0.072 -3.985 17 HE1 HIS 3 HE1 HIS 3 -7.016 -3.828 -5.615 18 H MET 4 H MET 4 -4.019 -1.070 -5.164 19 HA MET 4 HA MET 4 -2.457 1.307 -5.856 20 HB2 MET 4 HB2 MET 4 -4.688 -0.175 -7.297 21 HB3 MET 4 HB3 MET 4 -3.783 1.193 -7.964 22 HG2 MET 4 HG2 MET 4 -1.670 -0.072 -7.701 23 HG3 MET 4 HG3 MET 4 -2.572 -1.469 -7.115 24 HE1 MET 4 HE1 MET 4 -5.128 -1.681 -9.012 25 HE2 MET 4 HE2 MET 4 -4.464 -2.752 -10.260 26 HE3 MET 4 HE3 MET 4 -4.059 -3.027 -8.552 27 H ARG 5 H ARG 5 -3.183 2.560 -3.980 28 HA ARG 5 HA ARG 5 -5.820 3.680 -3.735 29 HB2 ARG 5 HB2 ARG 5 -3.514 3.857 -2.301 30 HB3 ARG 5 HB3 ARG 5 -3.429 5.386 -3.114 31 HG2 ARG 5 HG2 ARG 5 -5.736 5.945 -2.222 32 HG3 ARG 5 HG3 ARG 5 -5.744 4.467 -1.342 33 HD2 ARG 5 HD2 ARG 5 -5.193 5.967 0.230 34 HD3 ARG 5 HD3 ARG 5 -3.710 5.087 -0.105 35 HE ARG 5 HE ARG 5 -3.783 7.459 -1.744 36 HH11 ARG 5 HH11 ARG 5 -3.296 6.561 1.611 37 HH12 ARG 5 HH12 ARG 5 -2.102 7.802 1.857 38 HH21 ARG 5 HH22 ARG 5 -2.472 9.125 -1.339 39 HH22 ARG 5 HH21 ARG 5 -1.585 9.214 0.163 40 H MET 6 H MET 6 -6.653 5.663 -4.463 41 HA MET 6 HA MET 6 -5.249 6.831 -6.786 42 HB2 MET 6 HB2 MET 6 -8.232 6.613 -6.326 43 HB3 MET 6 HB3 MET 6 -7.471 7.273 -7.776 44 HG2 MET 6 HG2 MET 6 -7.242 4.408 -6.804 45 HG3 MET 6 HG3 MET 6 -8.285 4.963 -8.107 46 HE1 MET 6 HE1 MET 6 -5.817 5.797 -11.007 47 HE2 MET 6 HE2 MET 6 -7.510 5.695 -10.480 48 HE3 MET 6 HE3 MET 6 -6.448 6.972 -9.838 49 H SER 7 H SER 7 -5.423 7.691 -3.872 50 HA SER 7 HA SER 7 -5.791 9.388 -2.559 51 HB2 SER 7 HB2 SER 7 -4.240 10.675 -4.787 52 HB3 SER 7 HB3 SER 7 -4.538 11.486 -3.233 53 HG SER 7 HG SER 7 -2.567 10.106 -3.458 54 H LEU 8 H LEU 8 -6.383 11.590 -5.388 55 HA LEU 8 HA LEU 8 -9.119 12.034 -4.248 56 HB2 LEU 8 HB2 LEU 8 -7.600 14.401 -5.306 57 HB3 LEU 8 HB3 LEU 8 -8.995 14.323 -4.298 58 HG LEU 8 HG LEU 8 -6.336 13.348 -3.185 59 HD11 LEU 8 HD11 LEU 8 -5.957 15.557 -2.283 60 HD12 LEU 8 HD12 LEU 8 -7.344 16.204 -3.201 61 HD13 LEU 8 HD13 LEU 8 -5.907 15.578 -4.048 62 HD21 LEU 8 HD21 LEU 8 -8.853 14.590 -2.031 63 HD22 LEU 8 HD22 LEU 8 -7.452 14.045 -1.085 64 HD23 LEU 8 HD23 LEU 8 -8.441 12.859 -1.969 65 H ILE 9 H ILE 9 -9.966 10.640 -5.884 66 HA ILE 9 HA ILE 9 -9.654 11.243 -8.663 67 HB ILE 9 HB ILE 9 -12.094 9.902 -7.479 68 HG12 ILE 9 HG12 ILE 9 -9.347 8.618 -7.684 69 HG13 ILE 9 HG13 ILE 9 -10.225 8.912 -6.218 70 HG21 ILE 9 HG21 ILE 9 -11.944 10.307 -9.943 71 HG22 ILE 9 HG22 ILE 9 -10.474 9.312 -9.990 72 HG23 ILE 9 HG23 ILE 9 -12.038 8.599 -9.539 73 HD11 ILE 9 HD11 ILE 9 -10.960 6.914 -8.352 74 HD12 ILE 9 HD12 ILE 9 -10.546 6.641 -6.648 75 HD13 ILE 9 HD13 ILE 9 -12.071 7.439 -7.058 76 H GLY 10 H GLY 10 -11.911 12.315 -6.189 77 HA2 GLY 10 HA2 GLY 10 -13.252 14.353 -6.310 78 HA3 GLY 10 HA3 GLY 10 -13.220 14.276 -8.050 79 H GLU 11 H GLU 11 -13.801 11.165 -6.837 80 HA GLU 11 HA GLU 11 -16.661 11.496 -6.185 81 HB2 GLU 11 HB2 GLU 11 -16.991 9.259 -7.518 82 HB3 GLU 11 HB3 GLU 11 -17.231 10.842 -8.281 83 HG2 GLU 11 HG2 GLU 11 -14.960 10.660 -9.311 84 HG3 GLU 11 HG3 GLU 11 -14.768 9.068 -8.574 85 H ARG 12 H ARG 12 -14.358 8.834 -6.785 86 HA ARG 12 HA ARG 12 -13.709 7.042 -5.550 87 HB2 ARG 12 HB2 ARG 12 -13.896 8.448 -2.974 88 HB3 ARG 12 HB3 ARG 12 -12.743 7.312 -3.641 89 HG2 ARG 12 HG2 ARG 12 -11.373 8.993 -3.758 90 HG3 ARG 12 HG3 ARG 12 -12.157 9.330 -5.276 91 HD2 ARG 12 HD2 ARG 12 -11.983 11.395 -3.993 92 HD3 ARG 12 HD3 ARG 12 -13.679 10.964 -4.133 93 HE ARG 12 HE ARG 12 -11.962 10.700 -1.698 94 HH11 ARG 12 HH11 ARG 12 -15.274 10.846 -2.950 95 HH12 ARG 12 HH12 ARG 12 -15.821 11.528 -1.460 96 HH21 ARG 12 HH21 ARG 12 -12.928 11.135 0.279 97 HH22 ARG 12 HH22 ARG 12 -14.640 11.418 0.333 98 H PHE 13 H PHE 13 -16.446 7.110 -6.104 99 HA PHE 13 HA PHE 13 -18.166 6.369 -3.910 100 HB2 PHE 13 HB2 PHE 13 -18.251 5.773 -6.895 101 HB3 PHE 13 HB3 PHE 13 -19.575 5.547 -5.784 102 HD1 PHE 13 HD1 PHE 13 -18.545 8.510 -4.431 103 HD2 PHE 13 HD2 PHE 13 -19.939 7.035 -8.249 104 HE1 PHE 13 HE1 PHE 13 -19.295 10.777 -5.034 105 HE2 PHE 13 HE2 PHE 13 -20.698 9.322 -8.840 106 HZ PHE 13 HZ PHE 13 -20.378 11.198 -7.235 107 H THR 14 H THR 14 -19.156 4.109 -3.777 108 HA THR 14 HA THR 14 -17.590 2.299 -2.677 109 HB THR 14 HB THR 14 -19.991 2.191 -2.737 110 HG1 THR 14 HG1 THR 14 -20.128 -0.032 -2.632 111 HG21 THR 14 HG21 THR 14 -19.820 0.687 -5.376 112 HG22 THR 14 HG22 THR 14 -20.364 2.377 -5.228 113 HG23 THR 14 HG23 THR 14 -21.267 1.080 -4.435 114 H GLU 15 H GLU 15 -17.997 1.989 -6.287 115 HA GLU 15 HA GLU 15 -16.166 -0.275 -6.411 116 HB2 GLU 15 HB2 GLU 15 -17.212 1.584 -8.581 117 HB3 GLU 15 HB3 GLU 15 -16.259 0.121 -8.862 118 HG2 GLU 15 HG2 GLU 15 -18.028 -1.223 -7.697 119 HG3 GLU 15 HG3 GLU 15 -19.014 0.236 -7.568 120 H GLU 16 H GLU 16 -15.757 3.170 -6.681 121 HA GLU 16 HA GLU 16 -12.864 3.053 -7.344 122 HB2 GLU 16 HB2 GLU 16 -14.666 5.478 -6.994 123 HB3 GLU 16 HB3 GLU 16 -13.045 5.444 -7.662 124 HG2 GLU 16 HG2 GLU 16 -15.554 4.285 -8.929 125 HG3 GLU 16 HG3 GLU 16 -14.653 5.701 -9.445 126 H GLU 17 H GLU 17 -14.697 2.878 -4.602 127 HA GLU 17 HA GLU 17 -13.510 4.614 -2.797 128 HB2 GLU 17 HB2 GLU 17 -15.604 3.250 -2.579 129 HB3 GLU 17 HB3 GLU 17 -14.603 1.858 -2.141 130 HG2 GLU 17 HG2 GLU 17 -13.789 3.136 -0.144 131 HG3 GLU 17 HG3 GLU 17 -14.766 4.510 -0.660 132 H GLN 18 H GLN 18 -12.024 1.784 -3.948 133 HA GLN 18 HA GLN 18 -10.338 0.808 -2.222 134 HB2 GLN 18 HB2 GLN 18 -8.752 0.208 -3.761 135 HB3 GLN 18 HB3 GLN 18 -10.184 0.359 -4.748 136 HG2 GLN 18 HG2 GLN 18 -7.935 2.405 -4.564 137 HG3 GLN 18 HG3 GLN 18 -8.209 1.182 -5.824 138 HE21 GLN 18 HE22 GLN 18 -8.863 4.391 -4.982 139 HE22 GLN 18 HE21 GLN 18 -10.381 4.598 -5.874 140 H LYS 19 H LYS 19 -9.905 4.053 -3.284 141 HA LYS 19 HA LYS 19 -7.596 4.856 -1.891 142 HB2 LYS 19 HB2 LYS 19 -8.677 6.341 -3.391 143 HB3 LYS 19 HB3 LYS 19 -10.206 6.068 -2.695 144 HG2 LYS 19 HG2 LYS 19 -9.050 8.318 -2.412 145 HG3 LYS 19 HG3 LYS 19 -10.029 7.556 -1.133 146 HD2 LYS 19 HD2 LYS 19 -8.470 7.335 0.311 147 HD3 LYS 19 HD3 LYS 19 -7.178 7.032 -0.795 148 HE2 LYS 19 HE2 LYS 19 -7.035 9.173 0.655 149 HE3 LYS 19 HE3 LYS 19 -6.814 9.436 -1.058 150 HZ1 LYS 19 HZ1 LYS 19 -8.356 11.047 0.042 151 HZ2 LYS 19 HZ2 LYS 19 -9.466 9.849 0.216 152 HZ3 LYS 19 HZ3 LYS 19 -8.936 10.319 -1.283 153 H LEU 20 H LEU 20 -10.892 4.975 -0.680 154 HA LEU 20 HA LEU 20 -10.172 5.860 1.985 155 HB2 LEU 20 HB2 LEU 20 -12.837 4.899 0.814 156 HB3 LEU 20 HB3 LEU 20 -12.646 5.739 2.302 157 HG LEU 20 HG LEU 20 -13.464 7.353 1.036 158 HD11 LEU 20 HD11 LEU 20 -11.641 8.987 0.520 159 HD12 LEU 20 HD12 LEU 20 -10.436 7.763 0.972 160 HD13 LEU 20 HD13 LEU 20 -11.618 8.285 2.150 161 HD21 LEU 20 HD21 LEU 20 -13.587 6.304 -1.025 162 HD22 LEU 20 HD22 LEU 20 -11.849 6.298 -1.303 163 HD23 LEU 20 HD23 LEU 20 -12.730 7.835 -1.270 164 H LEU 21 H LEU 21 -11.131 2.950 0.357 165 HA LEU 21 HA LEU 21 -11.331 1.105 2.566 166 HB2 LEU 21 HB2 LEU 21 -12.107 -0.106 0.829 167 HB3 LEU 21 HB3 LEU 21 -11.308 0.899 -0.355 168 HG LEU 21 HG LEU 21 -9.188 -0.326 0.022 169 HD11 LEU 21 HD11 LEU 21 -9.939 -1.359 2.381 170 HD12 LEU 21 HD12 LEU 21 -9.125 -2.440 1.252 171 HD13 LEU 21 HD13 LEU 21 -10.891 -2.468 1.439 172 HD21 LEU 21 HD21 LEU 21 -10.522 -1.124 -1.839 173 HD22 LEU 21 HD22 LEU 21 -11.185 -2.379 -0.787 174 HD23 LEU 21 HD23 LEU 21 -9.411 -2.241 -1.060 175 H LEU 22 H LEU 22 -8.449 2.232 0.498 176 HA LEU 22 HA LEU 22 -7.004 0.053 1.641 177 HB2 LEU 22 HB2 LEU 22 -6.150 0.913 -0.413 178 HB3 LEU 22 HB3 LEU 22 -6.020 2.559 0.216 179 HG LEU 22 HG LEU 22 -4.200 1.841 1.760 180 HD11 LEU 22 HD11 LEU 22 -4.764 -0.533 2.088 181 HD12 LEU 22 HD12 LEU 22 -3.121 -0.347 1.491 182 HD13 LEU 22 HD13 LEU 22 -4.412 -0.871 0.389 183 HD21 LEU 22 HD21 LEU 22 -2.477 1.427 0.028 184 HD22 LEU 22 HD22 LEU 22 -3.568 2.768 -0.318 185 HD23 LEU 22 HD23 LEU 22 -3.786 1.230 -1.169 186 H ASN 23 H ASN 23 -7.153 3.501 2.116 187 HA ASN 23 HA ASN 23 -5.531 4.154 4.287 188 HB2 ASN 23 HB2 ASN 23 -8.114 5.142 3.017 189 HB3 ASN 23 HB3 ASN 23 -7.556 5.920 4.409 190 HD21 ASN 23 HD21 ASN 23 -7.741 7.132 1.938 191 HD22 ASN 23 HD22 ASN 23 -6.111 7.513 1.373 192 H ILE 24 H ILE 24 -8.941 2.887 4.525 193 HA ILE 24 HA ILE 24 -8.731 3.056 7.451 194 HB ILE 24 HB ILE 24 -10.818 1.966 7.647 195 HG12 ILE 24 HG12 ILE 24 -10.701 1.494 4.677 196 HG13 ILE 24 HG13 ILE 24 -10.732 0.302 5.936 197 HG21 ILE 24 HG21 ILE 24 -10.703 4.390 7.301 198 HG22 ILE 24 HG22 ILE 24 -10.984 4.166 5.571 199 HG23 ILE 24 HG23 ILE 24 -12.226 3.700 6.744 200 HD11 ILE 24 HD11 ILE 24 -13.024 2.151 5.158 201 HD12 ILE 24 HD12 ILE 24 -12.918 0.400 4.924 202 HD13 ILE 24 HD13 ILE 24 -13.048 1.060 6.568 203 H LEU 25 H LEU 25 -8.057 0.637 5.015 204 HA LEU 25 HA LEU 25 -8.147 -1.597 6.783 205 HB2 LEU 25 HB2 LEU 25 -8.611 -1.681 4.388 206 HB3 LEU 25 HB3 LEU 25 -6.953 -1.220 4.010 207 HG LEU 25 HG LEU 25 -6.106 -3.336 4.967 208 HD11 LEU 25 HD11 LEU 25 -7.798 -3.798 6.666 209 HD12 LEU 25 HD12 LEU 25 -7.766 -5.139 5.516 210 HD13 LEU 25 HD13 LEU 25 -9.064 -3.918 5.424 211 HD21 LEU 25 HD21 LEU 25 -8.374 -3.805 2.996 212 HD22 LEU 25 HD22 LEU 25 -6.946 -4.830 3.241 213 HD23 LEU 25 HD23 LEU 25 -6.755 -3.201 2.567 214 H ILE 26 H ILE 26 -5.530 0.571 5.781 215 HA ILE 26 HA ILE 26 -3.367 -1.061 6.638 216 HB ILE 26 HB ILE 26 -2.028 1.057 6.597 217 HG12 ILE 26 HG12 ILE 26 -4.388 2.427 5.277 218 HG13 ILE 26 HG13 ILE 26 -4.111 2.645 6.989 219 HG21 ILE 26 HG21 ILE 26 -2.192 1.148 4.091 220 HG22 ILE 26 HG22 ILE 26 -2.225 -0.504 4.722 221 HG23 ILE 26 HG23 ILE 26 -3.729 0.263 4.190 222 HD11 ILE 26 HD11 ILE 26 -2.160 3.354 4.768 223 HD12 ILE 26 HD12 ILE 26 -3.123 4.466 5.758 224 HD13 ILE 26 HD13 ILE 26 -1.832 3.510 6.511 225 H ASN 27 H ASN 27 -4.589 1.799 8.354 226 HA ASN 27 HA ASN 27 -3.918 0.599 11.004 227 HB2 ASN 27 HB2 ASN 27 -3.005 3.321 9.955 228 HB3 ASN 27 HB3 ASN 27 -2.823 2.780 11.618 229 HD21 ASN 27 HD21 ASN 27 -1.301 2.854 8.561 230 HD22 ASN 27 HD22 ASN 27 -0.013 1.729 8.964 231 H HIS 28 H HIS 28 -6.402 1.578 9.290 232 HA HIS 28 HA HIS 28 -8.229 2.801 9.382 233 HB2 HIS 28 HB2 HIS 28 -8.520 1.186 11.294 234 HB3 HIS 28 HB3 HIS 28 -8.197 2.534 12.384 235 HD1 HIS 28 HD1 HIS 28 -10.036 4.677 12.036 236 HD2 HIS 28 HD2 HIS 28 -10.952 0.928 10.363 237 HE1 HIS 28 HE1 HIS 28 -12.545 4.714 11.529 238 H GLU 29 H GLU 29 -6.700 4.481 8.564 239 HA GLU 29 HA GLU 29 -7.063 7.035 10.064 240 HB2 GLU 29 HB2 GLU 29 -4.437 6.061 8.845 241 HB3 GLU 29 HB3 GLU 29 -4.723 7.660 9.537 242 HG2 GLU 29 HG2 GLU 29 -5.217 6.565 11.747 243 HG3 GLU 29 HG3 GLU 29 -4.663 5.040 11.045 244 H TYR 30 H TYR 30 -5.870 8.765 8.400 245 HA TYR 30 HA TYR 30 -5.715 9.809 6.440 246 HB2 TYR 30 HB2 TYR 30 -4.796 7.181 6.146 247 HB3 TYR 30 HB3 TYR 30 -5.706 7.493 4.705 248 HD1 TYR 30 HD1 TYR 30 -2.943 8.718 6.861 249 HD2 TYR 30 HD2 TYR 30 -4.783 8.902 2.968 250 HE1 TYR 30 HE1 TYR 30 -0.981 9.995 5.985 251 HE2 TYR 30 HE2 TYR 30 -2.854 10.172 2.104 252 HH TYR 30 HH TYR 30 -0.795 11.106 2.581 253 H ALA 31 H ALA 31 -6.862 8.863 3.696 254 HA ALA 31 HA ALA 31 -7.732 10.407 2.478 255 HB1 ALA 31 HB1 ALA 31 -10.164 10.541 2.507 256 HB2 ALA 31 HB2 ALA 31 -9.560 8.874 2.775 257 HB3 ALA 31 HB3 ALA 31 -10.203 9.840 4.134 258 H ILE 32 H ILE 32 -8.827 11.159 5.707 259 HA ILE 32 HA ILE 32 -9.300 13.906 5.338 260 HB ILE 32 HB ILE 32 -8.860 12.090 7.711 261 HG12 ILE 32 HG12 ILE 32 -10.943 11.793 6.468 262 HG13 ILE 32 HG13 ILE 32 -11.233 12.377 8.099 263 HG21 ILE 32 HG21 ILE 32 -9.525 13.690 9.277 264 HG22 ILE 32 HG22 ILE 32 -8.083 14.281 8.509 265 HG23 ILE 32 HG23 ILE 32 -9.650 14.994 8.060 266 HD11 ILE 32 HD11 ILE 32 -11.785 14.603 7.296 267 HD12 ILE 32 HD12 ILE 32 -11.328 14.168 5.626 268 HD13 ILE 32 HD13 ILE 32 -12.717 13.426 6.374 269 H GLU 33 H GLU 33 -6.311 12.317 6.219 270 HA GLU 33 HA GLU 33 -4.782 14.581 6.993 271 HB2 GLU 33 HB2 GLU 33 -4.211 11.987 6.717 272 HB3 GLU 33 HB3 GLU 33 -3.600 12.496 5.146 273 HG2 GLU 33 HG2 GLU 33 -2.750 13.524 7.891 274 HG3 GLU 33 HG3 GLU 33 -1.846 12.393 6.892 275 H LEU 34 H LEU 34 -5.585 13.273 3.791 276 HA LEU 34 HA LEU 34 -4.375 15.348 2.245 277 HB2 LEU 34 HB2 LEU 34 -6.783 13.746 1.330 278 HB3 LEU 34 HB3 LEU 34 -5.582 14.566 0.374 279 HG LEU 34 HG LEU 34 -5.247 11.957 1.897 280 HD11 LEU 34 HD11 LEU 34 -4.750 11.088 -0.327 281 HD12 LEU 34 HD12 LEU 34 -4.785 12.727 -1.015 282 HD13 LEU 34 HD13 LEU 34 -6.278 11.994 -0.401 283 HD21 LEU 34 HD21 LEU 34 -2.900 11.987 0.908 284 HD22 LEU 34 HD22 LEU 34 -3.172 13.013 2.323 285 HD23 LEU 34 HD23 LEU 34 -3.104 13.738 0.687 286 H LEU 35 H LEU 35 -7.769 14.943 3.463 287 HA LEU 35 HA LEU 35 -8.881 17.233 2.307 288 HB2 LEU 35 HB2 LEU 35 -10.195 15.664 3.708 289 HB3 LEU 35 HB3 LEU 35 -9.347 16.175 5.137 290 HG LEU 35 HG LEU 35 -10.273 18.386 5.100 291 HD11 LEU 35 HD11 LEU 35 -10.599 18.588 2.556 292 HD12 LEU 35 HD12 LEU 35 -11.847 19.239 3.611 293 HD13 LEU 35 HD13 LEU 35 -12.113 17.698 2.803 294 HD21 LEU 35 HD21 LEU 35 -11.528 16.682 6.267 295 HD22 LEU 35 HD22 LEU 35 -12.406 16.248 4.778 296 HD23 LEU 35 HD23 LEU 35 -12.632 17.841 5.526 297 H SER 36 H SER 36 -7.277 17.193 5.577 298 HA SER 36 HA SER 36 -7.565 19.999 5.969 299 HB2 SER 36 HB2 SER 36 -7.081 18.190 7.696 300 HB3 SER 36 HB3 SER 36 -5.385 18.307 7.185 301 HG SER 36 HG SER 36 -7.044 20.343 8.297 302 H SER 37 H SER 37 -4.879 18.088 4.591 303 HA SER 37 HA SER 37 -3.047 20.231 4.320 304 HB2 SER 37 HB2 SER 37 -2.499 17.815 4.076 305 HB3 SER 37 HB3 SER 37 -3.340 17.799 2.512 306 HG SER 37 HG SER 37 -1.089 18.163 2.255 307 H GLU 38 H GLU 38 -5.518 18.905 2.186 308 HA GLU 38 HA GLU 38 -5.124 20.516 -0.157 309 HB2 GLU 38 HB2 GLU 38 -7.388 18.797 0.908 310 HB3 GLU 38 HB3 GLU 38 -7.701 19.787 -0.456 311 HG2 GLU 38 HG2 GLU 38 -5.436 17.750 -0.332 312 HG3 GLU 38 HG3 GLU 38 -7.028 17.461 -1.029 313 H ILE 39 H ILE 39 -7.534 20.877 2.494 314 HA ILE 39 HA ILE 39 -8.775 23.178 1.307 315 HB ILE 39 HB ILE 39 -9.721 23.581 3.551 316 HG12 ILE 39 HG12 ILE 39 -9.393 21.210 4.952 317 HG13 ILE 39 HG13 ILE 39 -7.760 21.567 4.411 318 HG21 ILE 39 HG21 ILE 39 -11.140 21.535 3.399 319 HG22 ILE 39 HG22 ILE 39 -10.753 22.212 1.820 320 HG23 ILE 39 HG23 ILE 39 -9.895 20.774 2.385 321 HD11 ILE 39 HD11 ILE 39 -7.980 23.860 5.465 322 HD12 ILE 39 HD12 ILE 39 -9.599 23.387 6.023 323 HD13 ILE 39 HD13 ILE 39 -8.168 22.532 6.628 324 H ASN 40 H ASN 40 -6.193 22.854 3.775 325 HA ASN 40 HA ASN 40 -5.900 25.742 3.846 326 HB2 ASN 40 HB2 ASN 40 -4.242 25.569 5.309 327 HB3 ASN 40 HB3 ASN 40 -5.077 24.049 5.605 328 HD21 ASN 40 HD21 ASN 40 -3.960 22.141 5.153 329 HD22 ASN 40 HD22 ASN 40 -2.283 22.127 4.620 330 H ASP 41 H ASP 41 -4.618 23.400 1.525 331 HA ASP 41 HA ASP 41 -2.690 25.252 0.392 332 HB2 ASP 41 HB2 ASP 41 -2.901 22.644 0.122 333 HB3 ASP 41 HB3 ASP 41 -3.996 23.043 -1.197 334 H ILE 42 H ILE 42 -6.172 24.821 0.047 335 HA ILE 42 HA ILE 42 -6.339 26.791 -2.167 336 HB ILE 42 HB ILE 42 -8.446 25.343 -0.541 337 HG12 ILE 42 HG12 ILE 42 -9.142 24.621 -2.881 338 HG13 ILE 42 HG13 ILE 42 -7.687 25.389 -3.508 339 HG21 ILE 42 HG21 ILE 42 -8.883 27.539 -2.614 340 HG22 ILE 42 HG22 ILE 42 -10.146 26.462 -1.980 341 HG23 ILE 42 HG23 ILE 42 -9.352 27.593 -0.897 342 HD11 ILE 42 HD11 ILE 42 -6.312 23.776 -2.150 343 HD12 ILE 42 HD12 ILE 42 -7.841 23.083 -1.543 344 HD13 ILE 42 HD13 ILE 42 -7.411 22.950 -3.252 345 H GLU 43 H GLU 43 -7.091 26.767 1.320 346 HA GLU 43 HA GLU 43 -8.076 29.415 1.417 347 HB2 GLU 43 HB2 GLU 43 -8.316 27.474 3.079 348 HB3 GLU 43 HB3 GLU 43 -6.761 27.919 3.728 349 HG2 GLU 43 HG2 GLU 43 -8.577 28.866 5.074 350 HG3 GLU 43 HG3 GLU 43 -7.582 30.131 4.372 351 H THR 44 H THR 44 -4.852 28.221 2.251 352 HA THR 44 HA THR 44 -3.813 31.042 2.270 353 HB THR 44 HB THR 44 -3.839 30.197 4.512 354 HG1 THR 44 HG1 THR 44 -1.694 30.597 4.963 355 HG21 THR 44 HG21 THR 44 -2.248 28.384 5.205 356 HG22 THR 44 HG22 THR 44 -2.077 27.936 3.492 357 HG23 THR 44 HG23 THR 44 -3.655 27.818 4.305 358 H GLY 45 H GLY 45 -3.064 27.664 1.235 359 HA2 GLY 45 HA2 GLY 45 -0.629 28.367 -0.117 360 HA3 GLY 45 HA3 GLY 45 -1.675 27.004 -0.506 361 H THR 46 H THR 46 -3.964 28.938 -1.007 362 HA THR 46 HA THR 46 -4.982 30.046 -2.617 363 HB THR 46 HB THR 46 -2.464 31.380 -3.595 364 HG1 THR 46 HG1 THR 46 -2.517 31.435 -1.287 365 HG21 THR 46 HG21 THR 46 -4.624 31.960 -4.713 366 HG22 THR 46 HG22 THR 46 -4.022 33.316 -3.752 367 HG23 THR 46 HG23 THR 46 -5.342 32.301 -3.126 368 H LYS 47 H LYS 47 -4.325 27.441 -3.161 369 HA LYS 47 HA LYS 47 -3.898 27.132 -6.044 370 HB2 LYS 47 HB2 LYS 47 -5.317 25.363 -4.000 371 HB3 LYS 47 HB3 LYS 47 -5.022 24.930 -5.668 372 HG2 LYS 47 HG2 LYS 47 -2.972 25.324 -3.479 373 HG3 LYS 47 HG3 LYS 47 -3.423 23.822 -4.263 374 HD2 LYS 47 HD2 LYS 47 -1.888 26.140 -5.506 375 HD3 LYS 47 HD3 LYS 47 -1.231 24.589 -4.988 376 HE2 LYS 47 HE2 LYS 47 -2.653 23.409 -6.657 377 HE3 LYS 47 HE3 LYS 47 -3.274 24.963 -7.225 378 HZ1 LYS 47 HZ1 LYS 47 -0.423 24.126 -7.328 379 HZ2 LYS 47 HZ2 LYS 47 -0.989 25.567 -7.852 380 HZ3 LYS 47 HZ3 LYS 47 -1.432 24.190 -8.607 381 H ASN 48 H ASN 48 -5.387 27.260 -7.657 382 HA ASN 48 HA ASN 48 -8.230 27.326 -7.247 383 HB2 ASN 48 HB2 ASN 48 -7.691 29.658 -6.528 384 HB3 ASN 48 HB3 ASN 48 -6.844 29.939 -8.050 385 HD21 ASN 48 HD21 ASN 48 -10.081 28.867 -6.819 386 HD22 ASN 48 HD22 ASN 48 -10.962 29.687 -8.097 387 H VAL 49 H VAL 49 -8.969 26.258 -9.015 388 HA VAL 49 HA VAL 49 -8.078 26.980 -11.725 389 HB VAL 49 HB VAL 49 -7.765 24.768 -12.458 390 HG11 VAL 49 HG11 VAL 49 -5.739 24.049 -11.396 391 HG12 VAL 49 HG12 VAL 49 -5.775 25.815 -11.446 392 HG13 VAL 49 HG13 VAL 49 -6.121 24.958 -9.923 393 HG21 VAL 49 HG21 VAL 49 -9.299 23.423 -11.257 394 HG22 VAL 49 HG22 VAL 49 -7.700 22.771 -10.934 395 HG23 VAL 49 HG23 VAL 49 -8.498 23.770 -9.697 396 H ASP 50 H ASP 50 -9.615 25.026 -13.033 397 HA ASP 50 HA ASP 50 -12.370 25.741 -12.886 398 HB2 ASP 50 HB2 ASP 50 -10.860 24.567 -14.698 399 HB3 ASP 50 HB3 ASP 50 -11.224 23.092 -13.828 400 H GLY 51 H GLY 51 -14.060 23.721 -12.598 401 HA2 GLY 51 HA2 GLY 51 -14.481 23.130 -9.996 402 HA3 GLY 51 HA3 GLY 51 -15.077 22.124 -11.302 403 H THR 52 H THR 52 -11.891 21.591 -11.666 404 HA THR 52 HA THR 52 -11.711 19.033 -10.513 405 HB THR 52 HB THR 52 -9.539 21.108 -11.001 406 HG1 THR 52 HG1 THR 52 -9.295 19.932 -12.918 407 HG21 THR 52 HG21 THR 52 -8.009 19.161 -11.145 408 HG22 THR 52 HG22 THR 52 -9.334 18.100 -10.595 409 HG23 THR 52 HG23 THR 52 -8.673 19.356 -9.520 410 H THR 53 H THR 53 -10.161 22.027 -9.003 411 HA THR 53 HA THR 53 -9.626 20.644 -6.625 412 HB THR 53 HB THR 53 -8.443 22.622 -7.473 413 HG1 THR 53 HG1 THR 53 -8.098 23.480 -5.454 414 HG21 THR 53 HG21 THR 53 -10.392 24.096 -8.075 415 HG22 THR 53 HG22 THR 53 -9.182 24.880 -7.048 416 HG23 THR 53 HG23 THR 53 -10.704 24.322 -6.338 417 H TYR 54 H TYR 54 -12.380 22.686 -7.452 418 HA TYR 54 HA TYR 54 -13.839 22.789 -5.030 419 HB2 TYR 54 HB2 TYR 54 -14.779 22.348 -7.902 420 HB3 TYR 54 HB3 TYR 54 -15.856 22.631 -6.566 421 HD1 TYR 54 HD1 TYR 54 -13.067 24.234 -8.498 422 HD2 TYR 54 HD2 TYR 54 -16.378 24.787 -5.792 423 HE1 TYR 54 HE1 TYR 54 -12.924 26.689 -8.847 424 HE2 TYR 54 HE2 TYR 54 -16.240 27.262 -6.145 425 HH TYR 54 HH TYR 54 -13.820 28.743 -8.336 426 H LYS 55 H LYS 55 -14.142 20.313 -7.650 427 HA LYS 55 HA LYS 55 -15.745 18.610 -6.269 428 HB2 LYS 55 HB2 LYS 55 -15.481 18.818 -8.690 429 HB3 LYS 55 HB3 LYS 55 -13.915 18.097 -8.624 430 HG2 LYS 55 HG2 LYS 55 -15.378 16.159 -8.981 431 HG3 LYS 55 HG3 LYS 55 -15.346 16.173 -7.244 432 HD2 LYS 55 HD2 LYS 55 -17.287 17.983 -7.507 433 HD3 LYS 55 HD3 LYS 55 -17.475 17.251 -9.100 434 HE2 LYS 55 HE2 LYS 55 -17.677 14.986 -8.042 435 HE3 LYS 55 HE3 LYS 55 -17.561 15.736 -6.449 436 HZ1 LYS 55 HZ1 LYS 55 -19.715 16.262 -8.436 437 HZ2 LYS 55 HZ2 LYS 55 -19.616 16.972 -6.967 438 HZ3 LYS 55 HZ3 LYS 55 -19.880 15.364 -7.085 439 H LYS 56 H LYS 56 -12.162 18.363 -6.457 440 HA LYS 56 HA LYS 56 -11.832 16.038 -4.788 441 HB2 LYS 56 HB2 LYS 56 -10.100 18.452 -5.222 442 HB3 LYS 56 HB3 LYS 56 -9.722 17.222 -4.015 443 HG2 LYS 56 HG2 LYS 56 -8.589 16.403 -5.821 444 HG3 LYS 56 HG3 LYS 56 -10.091 15.465 -5.904 445 HD2 LYS 56 HD2 LYS 56 -10.930 16.867 -7.706 446 HD3 LYS 56 HD3 LYS 56 -9.475 17.888 -7.608 447 HE2 LYS 56 HE2 LYS 56 -8.243 16.478 -8.823 448 HE3 LYS 56 HE3 LYS 56 -8.697 15.110 -7.819 449 HZ1 LYS 56 HZ1 LYS 56 -9.359 14.856 -10.164 450 HZ2 LYS 56 HZ2 LYS 56 -10.393 16.112 -10.047 451 HZ3 LYS 56 HZ3 LYS 56 -10.639 14.738 -9.181 452 H LEU 57 H LEU 57 -12.195 19.451 -3.707 453 HA LEU 57 HA LEU 57 -11.989 18.790 -0.906 454 HB2 LEU 57 HB2 LEU 57 -11.206 20.755 -1.878 455 HB3 LEU 57 HB3 LEU 57 -12.782 21.268 -2.476 456 HG LEU 57 HG LEU 57 -12.061 21.069 0.470 457 HD11 LEU 57 HD11 LEU 57 -10.641 22.722 -0.710 458 HD12 LEU 57 HD12 LEU 57 -11.826 23.571 0.296 459 HD13 LEU 57 HD13 LEU 57 -12.080 23.453 -1.453 460 HD21 LEU 57 HD21 LEU 57 -13.960 22.742 0.702 461 HD22 LEU 57 HD22 LEU 57 -14.485 21.128 0.266 462 HD23 LEU 57 HD23 LEU 57 -14.382 22.386 -0.984 463 H VAL 58 H VAL 58 -14.785 19.347 -3.053 464 HA VAL 58 HA VAL 58 -16.644 19.034 -0.842 465 HB VAL 58 HB VAL 58 -16.926 20.514 -2.877 466 HG11 VAL 58 HG11 VAL 58 -18.194 18.118 -4.224 467 HG12 VAL 58 HG12 VAL 58 -17.767 19.722 -4.895 468 HG13 VAL 58 HG13 VAL 58 -16.504 18.558 -4.467 469 HG21 VAL 58 HG21 VAL 58 -19.340 20.363 -2.864 470 HG22 VAL 58 HG22 VAL 58 -19.265 18.735 -2.159 471 HG23 VAL 58 HG23 VAL 58 -18.705 20.150 -1.224 472 H THR 59 H THR 59 -15.140 16.815 -3.091 473 HA THR 59 HA THR 59 -17.100 14.690 -2.678 474 HB THR 59 HB THR 59 -15.548 14.829 -4.667 475 HG1 THR 59 HG1 THR 59 -16.787 13.057 -4.320 476 HG21 THR 59 HG21 THR 59 -13.534 13.793 -2.638 477 HG22 THR 59 HG22 THR 59 -13.396 15.030 -3.878 478 HG23 THR 59 HG23 THR 59 -13.476 13.343 -4.347 479 H LEU 60 H LEU 60 -14.072 15.692 -1.174 480 HA LEU 60 HA LEU 60 -13.515 13.639 0.610 481 HB2 LEU 60 HB2 LEU 60 -13.214 16.572 0.788 482 HB3 LEU 60 HB3 LEU 60 -13.296 15.750 2.333 483 HG LEU 60 HG LEU 60 -11.043 16.048 1.672 484 HD11 LEU 60 HD11 LEU 60 -11.510 13.080 1.378 485 HD12 LEU 60 HD12 LEU 60 -11.645 13.955 2.924 486 HD13 LEU 60 HD13 LEU 60 -10.104 13.958 2.042 487 HD21 LEU 60 HD21 LEU 60 -11.075 16.185 -0.621 488 HD22 LEU 60 HD22 LEU 60 -11.695 14.526 -0.827 489 HD23 LEU 60 HD23 LEU 60 -10.038 14.820 -0.207 490 H TYR 61 H TYR 61 -15.873 16.212 1.306 491 HA TYR 61 HA TYR 61 -16.976 14.756 3.601 492 HB2 TYR 61 HB2 TYR 61 -18.066 16.576 4.195 493 HB3 TYR 61 HB3 TYR 61 -17.124 17.397 2.946 494 HD1 TYR 61 HD2 TYR 61 -20.446 16.073 3.908 495 HD2 TYR 61 HD1 TYR 61 -18.239 18.083 0.810 496 HE1 TYR 61 HE2 TYR 61 -22.572 16.762 2.875 497 HE2 TYR 61 HE1 TYR 61 -20.404 18.736 -0.260 498 HH TYR 61 HH TYR 61 -23.573 17.837 1.114 499 H ASP 62 H ASP 62 -17.902 15.073 0.252 500 HA ASP 62 HA ASP 62 -20.458 13.873 0.364 501 HB2 ASP 62 HB2 ASP 62 -19.420 15.016 -1.667 502 HB3 ASP 62 HB3 ASP 62 -18.632 13.459 -1.996 503 H ARG 63 H ARG 63 -17.345 12.272 0.784 504 HA ARG 63 HA ARG 63 -19.094 9.901 1.406 505 HB2 ARG 63 HB2 ARG 63 -16.365 9.693 0.147 506 HB3 ARG 63 HB3 ARG 63 -17.134 8.358 0.985 507 HG2 ARG 63 HG2 ARG 63 -18.173 9.672 -1.548 508 HG3 ARG 63 HG3 ARG 63 -17.482 8.044 -1.319 509 HD2 ARG 63 HD2 ARG 63 -19.286 7.254 -0.095 510 HD3 ARG 63 HD3 ARG 63 -20.086 8.823 0.005 511 HE ARG 63 HE ARG 63 -20.231 6.905 -2.145 512 HH11 ARG 63 HH12 ARG 63 -20.546 10.324 -1.466 513 HH12 ARG 63 HH11 ARG 63 -21.284 10.694 -2.999 514 HH21 ARG 63 HH21 ARG 63 -21.572 7.336 -3.910 515 HH22 ARG 63 HH22 ARG 63 -22.089 8.972 -4.203 516 H PHE 64 H PHE 64 -16.472 11.837 2.734 517 HA PHE 64 HA PHE 64 -16.046 10.087 4.975 518 HB2 PHE 64 HB2 PHE 64 -14.504 11.849 4.572 519 HB3 PHE 64 HB3 PHE 64 -15.794 13.052 4.591 520 HD1 PHE 64 HD1 PHE 64 -16.713 13.834 6.731 521 HD2 PHE 64 HD2 PHE 64 -13.628 10.844 6.685 522 HE1 PHE 64 HE1 PHE 64 -16.409 14.145 9.168 523 HE2 PHE 64 HE2 PHE 64 -13.220 11.243 9.109 524 HZ PHE 64 HZ PHE 64 -14.690 12.802 10.375 525 H ARG 65 H ARG 65 -18.390 12.854 4.638 526 HA ARG 65 HA ARG 65 -19.436 12.594 7.319 527 HB2 ARG 65 HB2 ARG 65 -20.250 14.013 4.731 528 HB3 ARG 65 HB3 ARG 65 -21.153 14.200 6.149 529 HG2 ARG 65 HG2 ARG 65 -18.300 15.026 5.794 530 HG3 ARG 65 HG3 ARG 65 -19.688 16.109 5.913 531 HD2 ARG 65 HD2 ARG 65 -18.716 14.311 8.115 532 HD3 ARG 65 HD3 ARG 65 -18.331 16.019 7.986 533 HE ARG 65 HE ARG 65 -20.840 16.440 8.118 534 HH11 ARG 65 HH11 ARG 65 -19.555 13.576 9.676 535 HH12 ARG 65 HH12 ARG 65 -20.545 13.801 11.096 536 HH21 ARG 65 HH21 ARG 65 -22.222 16.526 9.871 537 HH22 ARG 65 HH22 ARG 65 -22.137 15.276 11.081 538 H PHE 66 H PHE 66 -20.368 11.498 4.266 539 HA PHE 66 HA PHE 66 -22.871 10.208 5.076 540 HB2 PHE 66 HB2 PHE 66 -21.337 10.253 2.464 541 HB3 PHE 66 HB3 PHE 66 -22.837 9.379 2.685 542 HD1 PHE 66 HD1 PHE 66 -24.965 10.631 3.300 543 HD2 PHE 66 HD2 PHE 66 -21.343 12.640 2.115 544 HE1 PHE 66 HE1 PHE 66 -26.268 12.687 2.794 545 HE2 PHE 66 HE2 PHE 66 -22.648 14.672 1.558 546 HZ PHE 66 HZ PHE 66 -25.111 14.711 1.919 547 H GLU 67 H GLU 67 -19.838 8.740 3.752 548 HA GLU 67 HA GLU 67 -21.023 6.064 4.336 549 HB2 GLU 67 HB2 GLU 67 -19.253 7.094 2.060 550 HB3 GLU 67 HB3 GLU 67 -19.541 5.394 2.370 551 HG2 GLU 67 HG2 GLU 67 -21.655 7.485 1.715 552 HG3 GLU 67 HG3 GLU 67 -21.064 6.225 0.640 553 H ASN 68 H ASN 68 -17.913 7.662 4.381 554 HA ASN 68 HA ASN 68 -16.681 5.338 5.778 555 HB2 ASN 68 HB2 ASN 68 -15.418 7.329 3.859 556 HB3 ASN 68 HB3 ASN 68 -14.528 6.111 4.760 557 HD21 ASN 68 HD21 ASN 68 -16.452 6.668 1.924 558 HD22 ASN 68 HD22 ASN 68 -16.442 4.988 1.376 559 H1 GLY 1 H1 GLY 1 -17.932 9.885 34.326 560 H2 GLY 1 H2 GLY 1 -16.786 9.374 33.271 561 H3 GLY 1 H3 GLY 1 -18.104 10.181 32.723 562 HA2 GLY 1 HA2 GLY 1 -17.430 12.194 33.857 563 HA3 GLY 1 HA3 GLY 1 -16.013 11.319 34.472 564 H SER 2 H SER 2 -16.539 13.682 32.513 565 HA SER 2 HA SER 2 -14.550 12.893 30.438 566 HB2 SER 2 HB2 SER 2 -17.191 14.289 29.835 567 HB3 SER 2 HB3 SER 2 -15.906 13.928 28.674 568 HG SER 2 HG SER 2 -16.273 11.682 29.088 569 H HIS 3 H HIS 3 -13.387 14.640 29.530 570 HA HIS 3 HA HIS 3 -13.090 16.947 31.271 571 HB2 HIS 3 HB2 HIS 3 -11.236 15.653 30.011 572 HB3 HIS 3 HB3 HIS 3 -11.690 16.616 28.594 573 HD1 HIS 3 HD1 HIS 3 -10.342 17.103 32.209 574 HD2 HIS 3 HD2 HIS 3 -10.879 19.136 28.573 575 HE1 HIS 3 HE1 HIS 3 -9.169 19.352 32.472 576 H MET 4 H MET 4 -12.971 19.174 30.440 577 HA MET 4 HA MET 4 -15.394 20.082 29.163 578 HB2 MET 4 HB2 MET 4 -12.771 21.509 29.773 579 HB3 MET 4 HB3 MET 4 -14.261 22.308 29.259 580 HG2 MET 4 HG2 MET 4 -15.433 21.485 31.255 581 HG3 MET 4 HG3 MET 4 -13.971 20.672 31.812 582 HE1 MET 4 HE1 MET 4 -11.584 22.715 31.334 583 HE2 MET 4 HE2 MET 4 -11.614 23.550 32.899 584 HE3 MET 4 HE3 MET 4 -11.889 21.796 32.827 585 H ARG 5 H ARG 5 -15.622 21.225 27.178 586 HA ARG 5 HA ARG 5 -13.447 21.058 25.167 587 HB2 ARG 5 HB2 ARG 5 -15.329 19.124 25.116 588 HB3 ARG 5 HB3 ARG 5 -16.223 20.346 24.251 589 HG2 ARG 5 HG2 ARG 5 -14.172 20.572 22.723 590 HG3 ARG 5 HG3 ARG 5 -13.525 19.156 23.481 591 HD2 ARG 5 HD2 ARG 5 -14.453 18.434 21.497 592 HD3 ARG 5 HD3 ARG 5 -15.386 17.775 22.813 593 HE ARG 5 HE ARG 5 -16.286 20.217 21.262 594 HH11 ARG 5 HH11 ARG 5 -17.171 17.063 22.520 595 HH12 ARG 5 HH12 ARG 5 -18.856 17.324 22.166 596 HH21 ARG 5 HH21 ARG 5 -18.375 20.474 20.849 597 HH22 ARG 5 HH22 ARG 5 -19.524 19.216 21.236 598 H MET 6 H MET 6 -13.521 22.679 23.619 599 HA MET 6 HA MET 6 -15.686 24.656 23.930 600 HB2 MET 6 HB2 MET 6 -12.786 25.148 23.210 601 HB3 MET 6 HB3 MET 6 -13.997 26.410 23.437 602 HG2 MET 6 HG2 MET 6 -13.013 24.499 25.584 603 HG3 MET 6 HG3 MET 6 -12.510 26.174 25.398 604 HE1 MET 6 HE1 MET 6 -13.926 28.269 25.962 605 HE2 MET 6 HE2 MET 6 -15.218 27.804 24.829 606 HE3 MET 6 HE3 MET 6 -15.618 28.236 26.502 607 H SER 7 H SER 7 -15.265 22.471 21.859 608 HA SER 7 HA SER 7 -15.314 22.047 19.723 609 HB2 SER 7 HB2 SER 7 -17.405 24.223 19.791 610 HB3 SER 7 HB3 SER 7 -17.181 23.104 18.429 611 HG SER 7 HG SER 7 -18.746 22.484 20.099 612 H LEU 8 H LEU 8 -15.820 25.513 18.767 613 HA LEU 8 HA LEU 8 -13.099 25.388 17.532 614 HB2 LEU 8 HB2 LEU 8 -15.416 26.426 15.904 615 HB3 LEU 8 HB3 LEU 8 -13.781 26.096 15.427 616 HG LEU 8 HG LEU 8 -15.531 23.783 16.315 617 HD11 LEU 8 HD11 LEU 8 -16.836 24.915 14.624 618 HD12 LEU 8 HD12 LEU 8 -16.147 23.415 13.993 619 HD13 LEU 8 HD13 LEU 8 -15.424 24.981 13.537 620 HD21 LEU 8 HD21 LEU 8 -13.078 23.492 16.028 621 HD22 LEU 8 HD22 LEU 8 -13.214 24.103 14.369 622 HD23 LEU 8 HD23 LEU 8 -14.004 22.573 14.811 623 H ILE 9 H ILE 9 -12.387 26.711 19.215 624 HA ILE 9 HA ILE 9 -13.387 29.349 19.673 625 HB ILE 9 HB ILE 9 -10.474 28.656 20.040 626 HG12 ILE 9 HG12 ILE 9 -12.685 27.406 21.688 627 HG13 ILE 9 HG13 ILE 9 -11.517 26.570 20.735 628 HG21 ILE 9 HG21 ILE 9 -11.409 30.891 20.711 629 HG22 ILE 9 HG22 ILE 9 -12.479 30.062 21.859 630 HG23 ILE 9 HG23 ILE 9 -10.715 30.009 22.064 631 HD11 ILE 9 HD11 ILE 9 -10.986 28.024 23.315 632 HD12 ILE 9 HD12 ILE 9 -10.753 26.311 22.908 633 HD13 ILE 9 HD13 ILE 9 -9.693 27.535 22.187 634 H GLY 10 H GLY 10 -11.182 27.996 17.309 635 HA2 GLY 10 HA2 GLY 10 -10.494 29.063 15.255 636 HA3 GLY 10 HA3 GLY 10 -10.817 30.633 15.942 637 H GLU 11 H GLU 11 -9.194 28.687 18.181 638 HA GLU 11 HA GLU 11 -6.436 29.093 17.205 639 HB2 GLU 11 HB2 GLU 11 -5.906 29.737 19.691 640 HB3 GLU 11 HB3 GLU 11 -6.268 30.974 18.473 641 HG2 GLU 11 HG2 GLU 11 -8.593 31.135 19.354 642 HG3 GLU 11 HG3 GLU 11 -8.213 29.909 20.567 643 H ARG 12 H ARG 12 -8.063 28.113 20.227 644 HA ARG 12 HA ARG 12 -7.907 26.305 21.562 645 HB2 ARG 12 HB2 ARG 12 -7.652 24.349 19.350 646 HB3 ARG 12 HB3 ARG 12 -8.552 24.368 20.818 647 HG2 ARG 12 HG2 ARG 12 -10.405 24.770 19.731 648 HG3 ARG 12 HG3 ARG 12 -9.844 26.379 19.363 649 HD2 ARG 12 HD2 ARG 12 -9.757 23.829 17.715 650 HD3 ARG 12 HD3 ARG 12 -10.395 25.405 17.232 651 HE ARG 12 HE ARG 12 -7.802 26.042 17.445 652 HH11 ARG 12 HH11 ARG 12 -9.003 23.186 15.807 653 HH12 ARG 12 HH12 ARG 12 -7.426 22.887 15.111 654 HH21 ARG 12 HH22 ARG 12 -6.005 25.659 16.535 655 HH22 ARG 12 HH21 ARG 12 -5.920 24.508 15.230 656 H PHE 13 H PHE 13 -5.519 27.512 21.441 657 HA PHE 13 HA PHE 13 -3.526 25.612 20.520 658 HB2 PHE 13 HB2 PHE 13 -3.902 28.288 20.162 659 HB3 PHE 13 HB3 PHE 13 -2.741 28.291 21.480 660 HD1 PHE 13 HD2 PHE 13 -3.499 26.711 18.171 661 HD2 PHE 13 HD1 PHE 13 -0.418 28.026 20.891 662 HE1 PHE 13 HE2 PHE 13 -1.755 26.217 16.442 663 HE2 PHE 13 HE1 PHE 13 1.319 27.526 19.170 664 HZ PHE 13 HZ PHE 13 0.644 26.619 16.949 665 H THR 14 H THR 14 -3.078 24.131 21.985 666 HA THR 14 HA THR 14 -2.062 23.035 23.594 667 HB THR 14 HB THR 14 -0.038 23.751 22.884 668 HG1 THR 14 HG1 THR 14 1.153 23.829 24.772 669 HG21 THR 14 HG21 THR 14 -0.345 26.382 24.379 670 HG22 THR 14 HG22 THR 14 -0.347 26.142 22.616 671 HG23 THR 14 HG23 THR 14 1.118 25.813 23.548 672 H GLU 15 H GLU 15 -2.011 26.204 25.284 673 HA GLU 15 HA GLU 15 -3.151 25.200 27.744 674 HB2 GLU 15 HB2 GLU 15 -2.986 27.976 26.488 675 HB3 GLU 15 HB3 GLU 15 -3.591 27.651 28.124 676 HG2 GLU 15 HG2 GLU 15 -1.391 26.608 28.705 677 HG3 GLU 15 HG3 GLU 15 -0.777 27.052 27.110 678 H GLU 16 H GLU 16 -4.569 26.441 24.718 679 HA GLU 16 HA GLU 16 -7.312 26.038 25.839 680 HB2 GLU 16 HB2 GLU 16 -6.600 27.363 23.232 681 HB3 GLU 16 HB3 GLU 16 -8.165 27.318 24.014 682 HG2 GLU 16 HG2 GLU 16 -5.688 28.809 24.950 683 HG3 GLU 16 HG3 GLU 16 -7.143 29.493 24.237 684 H GLU 17 H GLU 17 -5.165 24.087 24.477 685 HA GLU 17 HA GLU 17 -6.581 22.822 22.364 686 HB2 GLU 17 HB2 GLU 17 -4.154 22.631 22.910 687 HB3 GLU 17 HB3 GLU 17 -4.562 21.541 24.244 688 HG2 GLU 17 HG2 GLU 17 -5.461 19.908 22.595 689 HG3 GLU 17 HG3 GLU 17 -5.178 21.083 21.306 690 H GLN 18 H GLN 18 -7.311 22.602 25.645 691 HA GLN 18 HA GLN 18 -8.195 20.200 26.287 692 HB2 GLN 18 HB2 GLN 18 -9.899 20.823 27.663 693 HB3 GLN 18 HB3 GLN 18 -8.677 22.051 27.745 694 HG2 GLN 18 HG2 GLN 18 -11.354 22.180 26.276 695 HG3 GLN 18 HG3 GLN 18 -10.911 22.918 27.840 696 HE21 GLN 18 HE22 GLN 18 -11.135 23.552 24.512 697 HE22 GLN 18 HE21 GLN 18 -9.889 24.799 24.397 698 H LYS 19 H LYS 19 -9.876 22.077 23.905 699 HA LYS 19 HA LYS 19 -12.047 20.472 23.132 700 HB2 LYS 19 HB2 LYS 19 -11.687 22.638 22.163 701 HB3 LYS 19 HB3 LYS 19 -10.069 22.243 21.766 702 HG2 LYS 19 HG2 LYS 19 -11.777 22.521 19.931 703 HG3 LYS 19 HG3 LYS 19 -10.440 21.358 19.890 704 HD2 LYS 19 HD2 LYS 19 -11.636 19.561 19.857 705 HD3 LYS 19 HD3 LYS 19 -12.938 20.191 20.812 706 HE2 LYS 19 HE2 LYS 19 -13.447 19.544 18.332 707 HE3 LYS 19 HE3 LYS 19 -13.965 21.140 18.809 708 HZ1 LYS 19 HZ1 LYS 19 -11.379 20.702 17.401 709 HZ2 LYS 19 HZ2 LYS 19 -12.162 22.127 17.716 710 HZ3 LYS 19 HZ3 LYS 19 -12.778 21.077 16.642 711 H LEU 20 H LEU 20 -8.799 20.290 21.782 712 HA LEU 20 HA LEU 20 -9.343 18.018 20.057 713 HB2 LEU 20 HB2 LEU 20 -6.736 19.438 20.810 714 HB3 LEU 20 HB3 LEU 20 -6.918 18.337 19.506 715 HG LEU 20 HG LEU 20 -6.837 20.251 18.398 716 HD11 LEU 20 HD11 LEU 20 -9.056 20.718 17.455 717 HD12 LEU 20 HD12 LEU 20 -9.820 19.723 18.721 718 HD13 LEU 20 HD13 LEU 20 -8.710 18.982 17.586 719 HD21 LEU 20 HD21 LEU 20 -8.184 22.286 19.076 720 HD22 LEU 20 HD22 LEU 20 -6.768 21.846 20.051 721 HD23 LEU 20 HD23 LEU 20 -8.362 21.537 20.672 722 H LEU 21 H LEU 21 -7.840 18.674 23.041 723 HA LEU 21 HA LEU 21 -6.643 16.241 23.951 724 HB2 LEU 21 HB2 LEU 21 -6.193 18.266 25.055 725 HB3 LEU 21 HB3 LEU 21 -7.857 18.723 25.028 726 HG LEU 21 HG LEU 21 -7.060 18.529 27.249 727 HD11 LEU 21 HD11 LEU 21 -9.467 17.946 27.002 728 HD12 LEU 21 HD12 LEU 21 -8.649 17.267 28.406 729 HD13 LEU 21 HD13 LEU 21 -9.010 16.226 27.041 730 HD21 LEU 21 HD21 LEU 21 -6.792 15.547 26.761 731 HD22 LEU 21 HD22 LEU 21 -6.409 16.453 28.256 732 HD23 LEU 21 HD23 LEU 21 -5.412 16.703 26.809 733 H LEU 22 H LEU 22 -10.096 17.514 24.230 734 HA LEU 22 HA LEU 22 -10.726 15.131 25.793 735 HB2 LEU 22 HB2 LEU 22 -11.964 17.146 26.175 736 HB3 LEU 22 HB3 LEU 22 -12.430 17.305 24.494 737 HG LEU 22 HG LEU 22 -14.243 16.683 26.054 738 HD11 LEU 22 HD11 LEU 22 -15.403 15.205 24.676 739 HD12 LEU 22 HD12 LEU 22 -13.948 14.395 24.100 740 HD13 LEU 22 HD13 LEU 22 -14.291 16.052 23.584 741 HD21 LEU 22 HD21 LEU 22 -12.818 14.002 26.288 742 HD22 LEU 22 HD22 LEU 22 -14.449 14.377 26.881 743 HD23 LEU 22 HD23 LEU 22 -13.037 15.197 27.565 744 H ASN 23 H ASN 23 -11.232 16.241 22.541 745 HA ASN 23 HA ASN 23 -12.647 14.118 21.362 746 HB2 ASN 23 HB2 ASN 23 -10.813 16.386 20.476 747 HB3 ASN 23 HB3 ASN 23 -11.406 15.304 19.314 748 HD21 ASN 23 HD21 ASN 23 -12.079 17.889 19.212 749 HD22 ASN 23 HD22 ASN 23 -13.796 18.055 19.559 750 H ILE 24 H ILE 24 -9.165 14.355 21.849 751 HA ILE 24 HA ILE 24 -8.757 11.748 20.460 752 HB ILE 24 HB ILE 24 -6.450 11.898 20.973 753 HG12 ILE 24 HG12 ILE 24 -7.171 14.241 22.714 754 HG13 ILE 24 HG13 ILE 24 -6.362 12.771 23.152 755 HG21 ILE 24 HG21 ILE 24 -5.851 13.748 19.545 756 HG22 ILE 24 HG22 ILE 24 -7.335 12.993 18.966 757 HG23 ILE 24 HG23 ILE 24 -7.412 14.535 19.826 758 HD11 ILE 24 HD11 ILE 24 -5.195 15.024 21.470 759 HD12 ILE 24 HD12 ILE 24 -4.743 14.556 23.117 760 HD13 ILE 24 HD13 ILE 24 -4.384 13.463 21.763 761 H LEU 25 H LEU 25 -9.128 12.904 23.782 762 HA LEU 25 HA LEU 25 -8.230 10.499 25.020 763 HB2 LEU 25 HB2 LEU 25 -8.280 12.726 26.045 764 HB3 LEU 25 HB3 LEU 25 -10.043 12.736 25.995 765 HG LEU 25 HG LEU 25 -10.080 10.819 27.602 766 HD11 LEU 25 HD11 LEU 25 -7.892 9.803 27.121 767 HD12 LEU 25 HD12 LEU 25 -7.954 10.297 28.817 768 HD13 LEU 25 HD13 LEU 25 -7.062 11.288 27.636 769 HD21 LEU 25 HD21 LEU 25 -10.229 13.154 28.385 770 HD22 LEU 25 HD22 LEU 25 -8.458 13.241 28.494 771 HD23 LEU 25 HD23 LEU 25 -9.367 12.140 29.554 772 H ILE 26 H ILE 26 -11.387 11.485 23.772 773 HA ILE 26 HA ILE 26 -12.806 9.142 24.805 774 HB ILE 26 HB ILE 26 -14.730 9.953 23.619 775 HG12 ILE 26 HG12 ILE 26 -13.056 12.218 22.482 776 HG13 ILE 26 HG13 ILE 26 -13.464 10.777 21.564 777 HG21 ILE 26 HG21 ILE 26 -13.298 12.218 25.042 778 HG22 ILE 26 HG22 ILE 26 -15.048 12.046 24.822 779 HG23 ILE 26 HG23 ILE 26 -14.166 10.883 25.816 780 HD11 ILE 26 HD11 ILE 26 -15.460 12.770 22.696 781 HD12 ILE 26 HD12 ILE 26 -15.023 12.522 20.999 782 HD13 ILE 26 HD13 ILE 26 -15.875 11.237 21.886 783 H ASN 27 H ASN 27 -14.368 8.208 22.876 784 HA ASN 27 HA ASN 27 -12.653 6.175 21.827 785 HB2 ASN 27 HB2 ASN 27 -14.674 5.095 21.162 786 HB3 ASN 27 HB3 ASN 27 -14.931 5.787 22.761 787 HD21 ASN 27 HD21 ASN 27 -16.472 7.648 22.909 788 HD22 ASN 27 HD22 ASN 27 -17.504 7.995 21.534 789 H HIS 28 H HIS 28 -14.123 8.939 20.243 790 HA HIS 28 HA HIS 28 -12.835 8.171 17.665 791 HB2 HIS 28 HB2 HIS 28 -14.795 9.087 16.472 792 HB3 HIS 28 HB3 HIS 28 -15.136 7.642 17.410 793 HD1 HIS 28 HD1 HIS 28 -15.218 11.210 18.914 794 HD2 HIS 28 HD2 HIS 28 -17.704 8.002 17.829 795 HE1 HIS 28 HE1 HIS 28 -17.566 11.812 19.745 796 H GLU 29 H GLU 29 -11.846 9.711 16.483 797 HA GLU 29 HA GLU 29 -10.958 12.088 17.868 798 HB2 GLU 29 HB2 GLU 29 -10.392 11.011 15.086 799 HB3 GLU 29 HB3 GLU 29 -9.599 12.426 15.801 800 HG2 GLU 29 HG2 GLU 29 -8.722 11.051 17.646 801 HG3 GLU 29 HG3 GLU 29 -9.526 9.619 16.998 802 H TYR 30 H TYR 30 -12.906 13.195 18.192 803 HA TYR 30 HA TYR 30 -14.777 13.642 16.184 804 HB2 TYR 30 HB2 TYR 30 -15.160 13.490 18.612 805 HB3 TYR 30 HB3 TYR 30 -14.341 15.041 18.811 806 HD1 TYR 30 HD1 TYR 30 -17.076 13.715 16.545 807 HD2 TYR 30 HD2 TYR 30 -15.814 16.767 19.324 808 HE1 TYR 30 HE1 TYR 30 -19.201 14.934 16.176 809 HE2 TYR 30 HE2 TYR 30 -17.915 17.992 18.941 810 HH TYR 30 HH TYR 30 -19.986 17.982 17.910 811 H ALA 31 H ALA 31 -12.347 16.089 17.278 812 HA ALA 31 HA ALA 31 -13.027 18.340 16.033 813 HB1 ALA 31 HB1 ALA 31 -10.996 18.002 17.282 814 HB2 ALA 31 HB2 ALA 31 -10.315 16.988 15.969 815 HB3 ALA 31 HB3 ALA 31 -10.614 18.707 15.683 816 H ILE 32 H ILE 32 -11.413 15.608 14.313 817 HA ILE 32 HA ILE 32 -11.377 16.636 11.759 818 HB ILE 32 HB ILE 32 -11.597 13.845 12.868 819 HG12 ILE 32 HG12 ILE 32 -9.317 13.559 11.954 820 HG13 ILE 32 HG13 ILE 32 -9.357 15.221 11.363 821 HG21 ILE 32 HG21 ILE 32 -11.022 12.947 10.625 822 HG22 ILE 32 HG22 ILE 32 -12.647 13.595 10.711 823 HG23 ILE 32 HG23 ILE 32 -11.376 14.585 9.961 824 HD11 ILE 32 HD11 ILE 32 -8.113 14.714 13.578 825 HD12 ILE 32 HD12 ILE 32 -9.265 16.066 13.629 826 HD13 ILE 32 HD13 ILE 32 -9.703 14.468 14.303 827 H GLU 33 H GLU 33 -14.045 14.805 13.268 828 HA GLU 33 HA GLU 33 -15.838 14.857 11.046 829 HB2 GLU 33 HB2 GLU 33 -16.151 13.593 13.230 830 HB3 GLU 33 HB3 GLU 33 -16.773 15.117 13.914 831 HG2 GLU 33 HG2 GLU 33 -18.451 15.227 12.084 832 HG3 GLU 33 HG3 GLU 33 -17.824 13.716 11.421 833 H LEU 34 H LEU 34 -15.115 17.294 13.503 834 HA LEU 34 HA LEU 34 -17.017 19.205 12.544 835 HB2 LEU 34 HB2 LEU 34 -14.415 19.958 13.950 836 HB3 LEU 34 HB3 LEU 34 -15.892 20.876 13.810 837 HG LEU 34 HG LEU 34 -15.188 18.636 15.669 838 HD11 LEU 34 HD11 LEU 34 -16.769 21.206 16.049 839 HD12 LEU 34 HD12 LEU 34 -15.024 21.049 16.308 840 HD13 LEU 34 HD13 LEU 34 -16.154 20.134 17.323 841 HD21 LEU 34 HD21 LEU 34 -18.006 19.213 14.747 842 HD22 LEU 34 HD22 LEU 34 -17.625 18.604 16.368 843 HD23 LEU 34 HD23 LEU 34 -17.160 17.641 14.975 844 H LEU 35 H LEU 35 -13.572 18.624 11.654 845 HA LEU 35 HA LEU 35 -13.236 20.821 9.910 846 HB2 LEU 35 HB2 LEU 35 -11.373 19.327 10.511 847 HB3 LEU 35 HB3 LEU 35 -12.133 17.979 9.721 848 HG LEU 35 HG LEU 35 -11.850 18.926 7.526 849 HD11 LEU 35 HD11 LEU 35 -11.911 21.368 8.103 850 HD12 LEU 35 HD12 LEU 35 -10.568 20.897 7.056 851 HD13 LEU 35 HD13 LEU 35 -10.281 21.200 8.769 852 HD21 LEU 35 HD21 LEU 35 -10.081 17.519 8.487 853 HD22 LEU 35 HD22 LEU 35 -9.277 18.960 9.144 854 HD23 LEU 35 HD23 LEU 35 -9.420 18.735 7.385 855 H SER 36 H SER 36 -14.325 17.466 8.917 856 HA SER 36 HA SER 36 -14.746 18.280 6.227 857 HB2 SER 36 HB2 SER 36 -14.413 15.953 7.065 858 HB3 SER 36 HB3 SER 36 -16.086 15.993 7.656 859 HG SER 36 HG SER 36 -15.135 16.204 4.979 860 H SER 37 H SER 37 -16.963 18.194 9.006 861 HA SER 37 HA SER 37 -19.337 18.811 7.582 862 HB2 SER 37 HB2 SER 37 -19.151 17.989 9.957 863 HB3 SER 37 HB3 SER 37 -18.715 19.645 10.434 864 HG SER 37 HG SER 37 -20.968 19.302 10.613 865 H GLU 38 H GLU 38 -16.876 20.805 9.161 866 HA GLU 38 HA GLU 38 -18.023 23.412 8.731 867 HB2 GLU 38 HB2 GLU 38 -15.292 22.387 9.519 868 HB3 GLU 38 HB3 GLU 38 -15.364 23.997 8.948 869 HG2 GLU 38 HG2 GLU 38 -17.121 22.973 11.217 870 HG3 GLU 38 HG3 GLU 38 -15.571 23.786 11.427 871 H ILE 39 H ILE 39 -15.461 21.686 6.866 872 HA ILE 39 HA ILE 39 -15.058 23.861 5.040 873 HB ILE 39 HB ILE 39 -14.012 22.188 3.573 874 HG12 ILE 39 HG12 ILE 39 -13.552 19.947 5.109 875 HG13 ILE 39 HG13 ILE 39 -15.249 20.255 5.409 876 HG21 ILE 39 HG21 ILE 39 -12.169 21.671 5.297 877 HG22 ILE 39 HG22 ILE 39 -12.679 23.361 5.160 878 HG23 ILE 39 HG23 ILE 39 -13.250 22.371 6.511 879 HD11 ILE 39 HD11 ILE 39 -14.893 18.708 3.501 880 HD12 ILE 39 HD12 ILE 39 -15.659 20.202 2.925 881 HD13 ILE 39 HD13 ILE 39 -13.924 19.946 2.676 882 H ASN 40 H ASN 40 -17.168 20.976 4.862 883 HA ASN 40 HA ASN 40 -18.277 21.949 2.353 884 HB2 ASN 40 HB2 ASN 40 -19.654 20.219 2.252 885 HB3 ASN 40 HB3 ASN 40 -18.379 19.557 3.269 886 HD21 ASN 40 HD21 ASN 40 -18.934 18.925 5.346 887 HD22 ASN 40 HD22 ASN 40 -20.587 18.993 5.950 888 H ASP 41 H ASP 41 -19.039 22.886 5.663 889 HA ASP 41 HA ASP 41 -21.510 24.268 5.037 890 HB2 ASP 41 HB2 ASP 41 -20.330 23.609 7.331 891 HB3 ASP 41 HB3 ASP 41 -19.630 25.205 7.178 892 H ILE 42 H ILE 42 -18.061 25.144 4.675 893 HA ILE 42 HA ILE 42 -18.732 27.848 3.689 894 HB ILE 42 HB ILE 42 -16.137 26.273 3.579 895 HG12 ILE 42 HG12 ILE 42 -15.334 28.179 5.030 896 HG13 ILE 42 HG13 ILE 42 -16.992 28.765 5.147 897 HG21 ILE 42 HG21 ILE 42 -16.707 29.096 2.570 898 HG22 ILE 42 HG22 ILE 42 -15.090 28.391 2.778 899 HG23 ILE 42 HG23 ILE 42 -16.185 27.704 1.591 900 HD11 ILE 42 HD11 ILE 42 -17.644 26.745 6.373 901 HD12 ILE 42 HD12 ILE 42 -16.065 26.008 5.996 902 HD13 ILE 42 HD13 ILE 42 -16.150 27.377 7.102 903 H GLU 43 H GLU 43 -17.738 24.781 2.122 904 HA GLU 43 HA GLU 43 -17.631 25.846 -0.483 905 HB2 GLU 43 HB2 GLU 43 -16.678 23.658 0.565 906 HB3 GLU 43 HB3 GLU 43 -18.216 22.937 0.193 907 HG2 GLU 43 HG2 GLU 43 -16.684 22.384 -1.553 908 HG3 GLU 43 HG3 GLU 43 -17.916 23.445 -2.217 909 H THR 44 H THR 44 -20.252 24.112 1.092 910 HA THR 44 HA THR 44 -22.111 24.823 -1.152 911 HB THR 44 HB THR 44 -21.485 22.496 -1.367 912 HG1 THR 44 HG1 THR 44 -23.557 21.677 -1.424 913 HG21 THR 44 HG21 THR 44 -20.956 21.791 0.855 914 HG22 THR 44 HG22 THR 44 -22.332 20.828 0.316 915 HG23 THR 44 HG23 THR 44 -22.585 22.175 1.451 916 H GLY 45 H GLY 45 -21.803 24.388 2.417 917 HA2 GLY 45 HA2 GLY 45 -24.509 25.211 2.976 918 HA3 GLY 45 HA3 GLY 45 -23.125 25.396 4.053 919 H THR 46 H THR 46 -21.679 27.057 2.021 920 HA THR 46 HA THR 46 -21.296 29.141 1.423 921 HB THR 46 HB THR 46 -24.208 29.895 1.244 922 HG1 THR 46 HG1 THR 46 -24.217 28.981 -0.792 923 HG21 THR 46 HG21 THR 46 -22.457 31.618 0.734 924 HG22 THR 46 HG22 THR 46 -23.347 31.155 -0.722 925 HG23 THR 46 HG23 THR 46 -21.718 30.498 -0.427 926 H LYS 47 H LYS 47 -21.049 28.569 4.016 927 HA LYS 47 HA LYS 47 -21.900 30.571 5.885 928 HB2 LYS 47 HB2 LYS 47 -19.285 29.046 5.565 929 HB3 LYS 47 HB3 LYS 47 -19.643 30.070 6.947 930 HG2 LYS 47 HG2 LYS 47 -21.519 27.823 6.164 931 HG3 LYS 47 HG3 LYS 47 -20.068 27.502 7.107 932 HD2 LYS 47 HD2 LYS 47 -22.127 29.571 7.923 933 HD3 LYS 47 HD3 LYS 47 -22.369 27.890 8.291 934 HE2 LYS 47 HE2 LYS 47 -19.916 29.474 9.192 935 HE3 LYS 47 HE3 LYS 47 -21.370 29.184 10.153 936 HZ1 LYS 47 HZ1 LYS 47 -19.395 27.164 9.259 937 HZ2 LYS 47 HZ2 LYS 47 -20.895 26.710 9.664 938 HZ3 LYS 47 HZ3 LYS 47 -19.918 27.437 10.772 939 H ASN 48 H ASN 48 -21.268 32.664 6.238 940 HA ASN 48 HA ASN 48 -19.007 33.875 4.850 941 HB2 ASN 48 HB2 ASN 48 -20.806 33.968 3.124 942 HB3 ASN 48 HB3 ASN 48 -21.869 34.792 4.268 943 HD21 ASN 48 HD21 ASN 48 -18.561 35.112 2.809 944 HD22 ASN 48 HD22 ASN 48 -18.648 36.863 2.719 945 H VAL 49 H VAL 49 -18.055 34.966 6.415 946 HA VAL 49 HA VAL 49 -19.332 36.931 8.098 947 HB VAL 49 HB VAL 49 -20.084 35.128 9.441 948 HG11 VAL 49 HG11 VAL 49 -18.783 33.272 8.587 949 HG12 VAL 49 HG12 VAL 49 -17.301 33.974 9.293 950 HG13 VAL 49 HG13 VAL 49 -18.614 33.348 10.338 951 HG21 VAL 49 HG21 VAL 49 -17.490 35.980 10.769 952 HG22 VAL 49 HG22 VAL 49 -18.995 36.933 10.770 953 HG23 VAL 49 HG23 VAL 49 -18.935 35.342 11.565 954 H ASP 50 H ASP 50 -17.699 37.872 9.583 955 HA ASP 50 HA ASP 50 -15.545 38.717 7.918 956 HB2 ASP 50 HB2 ASP 50 -17.088 40.184 9.232 957 HB3 ASP 50 HB3 ASP 50 -16.300 39.552 10.689 958 H GLY 51 H GLY 51 -14.689 36.520 8.170 959 HA2 GLY 51 HA2 GLY 51 -12.578 35.462 8.376 960 HA3 GLY 51 HA3 GLY 51 -12.113 36.509 9.706 961 H THR 52 H THR 52 -15.043 35.611 10.799 962 HA THR 52 HA THR 52 -14.018 33.811 12.710 963 HB THR 52 HB THR 52 -16.889 34.122 11.789 964 HG1 THR 52 HG1 THR 52 -16.944 35.607 13.525 965 HG21 THR 52 HG21 THR 52 -17.490 33.456 14.061 966 HG22 THR 52 HG22 THR 52 -15.769 33.123 14.425 967 HG23 THR 52 HG23 THR 52 -16.647 32.153 13.212 968 H THR 53 H THR 53 -16.294 32.817 10.017 969 HA THR 53 HA THR 53 -15.820 30.086 10.309 970 HB THR 53 HB THR 53 -17.679 31.201 9.122 971 HG1 THR 53 HG1 THR 53 -17.128 28.968 8.891 972 HG21 THR 53 HG21 THR 53 -17.570 31.813 6.802 973 HG22 THR 53 HG22 THR 53 -15.862 31.362 6.683 974 HG23 THR 53 HG23 THR 53 -16.353 32.778 7.645 975 H TYR 54 H TYR 54 -14.010 32.397 8.338 976 HA TYR 54 HA TYR 54 -12.220 30.688 6.942 977 HB2 TYR 54 HB2 TYR 54 -11.788 33.422 8.235 978 HB3 TYR 54 HB3 TYR 54 -10.619 32.641 7.216 979 HD1 TYR 54 HD1 TYR 54 -14.071 34.110 7.196 980 HD2 TYR 54 HD2 TYR 54 -10.768 32.627 4.855 981 HE1 TYR 54 HE1 TYR 54 -15.118 35.040 5.136 982 HE2 TYR 54 HE2 TYR 54 -11.819 33.549 2.789 983 HH TYR 54 HH TYR 54 -13.596 34.689 1.906 984 H LYS 55 H LYS 55 -11.676 32.362 10.093 985 HA LYS 55 HA LYS 55 -9.393 31.067 10.769 986 HB2 LYS 55 HB2 LYS 55 -10.212 33.209 11.581 987 HB3 LYS 55 HB3 LYS 55 -11.449 32.446 12.506 988 HG2 LYS 55 HG2 LYS 55 -9.583 32.644 14.090 989 HG3 LYS 55 HG3 LYS 55 -9.280 31.038 13.458 990 HD2 LYS 55 HD2 LYS 55 -8.035 32.410 11.505 991 HD3 LYS 55 HD3 LYS 55 -7.950 33.660 12.742 992 HE2 LYS 55 HE2 LYS 55 -6.913 32.018 14.336 993 HE3 LYS 55 HE3 LYS 55 -6.909 30.804 13.055 994 HZ1 LYS 55 HZ1 LYS 55 -5.440 33.391 12.970 995 HZ2 LYS 55 HZ2 LYS 55 -5.437 32.286 11.765 996 HZ3 LYS 55 HZ3 LYS 55 -4.762 31.929 13.209 997 H LYS 56 H LYS 56 -12.682 30.050 11.803 998 HA LYS 56 HA LYS 56 -11.939 27.692 13.258 999 HB2 LYS 56 HB2 LYS 56 -14.388 28.423 11.694 1000 HB3 LYS 56 HB3 LYS 56 -14.158 26.790 12.344 1001 HG2 LYS 56 HG2 LYS 56 -15.232 27.779 14.102 1002 HG3 LYS 56 HG3 LYS 56 -13.557 28.110 14.579 1003 HD2 LYS 56 HD2 LYS 56 -13.714 30.359 13.730 1004 HD3 LYS 56 HD3 LYS 56 -15.387 30.089 13.158 1005 HE2 LYS 56 HE2 LYS 56 -14.438 29.644 15.981 1006 HE3 LYS 56 HE3 LYS 56 -14.995 31.241 15.441 1007 HZ1 LYS 56 HZ1 LYS 56 -17.176 30.226 14.967 1008 HZ2 LYS 56 HZ2 LYS 56 -16.771 29.993 16.533 1009 HZ3 LYS 56 HZ3 LYS 56 -16.643 28.763 15.483 1010 H LEU 57 H LEU 57 -12.325 27.993 9.700 1011 HA LEU 57 HA LEU 57 -11.753 25.200 9.193 1012 HB2 LEU 57 HB2 LEU 57 -13.172 26.411 7.869 1013 HB3 LEU 57 HB3 LEU 57 -12.018 27.691 7.484 1014 HG LEU 57 HG LEU 57 -11.649 24.809 6.571 1015 HD11 LEU 57 HD11 LEU 57 -12.961 27.168 5.144 1016 HD12 LEU 57 HD12 LEU 57 -13.778 25.698 5.716 1017 HD13 LEU 57 HD13 LEU 57 -12.602 25.598 4.397 1018 HD21 LEU 57 HD21 LEU 57 -9.563 26.085 6.282 1019 HD22 LEU 57 HD22 LEU 57 -10.466 27.453 5.601 1020 HD23 LEU 57 HD23 LEU 57 -10.325 25.922 4.717 1021 H VAL 58 H VAL 58 -9.731 28.150 9.039 1022 HA VAL 58 HA VAL 58 -7.437 26.577 8.197 1023 HB VAL 58 HB VAL 58 -7.997 28.888 7.452 1024 HG11 VAL 58 HG11 VAL 58 -8.341 29.783 9.766 1025 HG12 VAL 58 HG12 VAL 58 -6.584 29.877 9.949 1026 HG13 VAL 58 HG13 VAL 58 -7.413 30.810 8.665 1027 HG21 VAL 58 HG21 VAL 58 -5.685 29.599 7.209 1028 HG22 VAL 58 HG22 VAL 58 -5.185 28.495 8.508 1029 HG23 VAL 58 HG23 VAL 58 -5.827 27.847 6.973 1030 H THR 59 H THR 59 -8.682 27.521 11.294 1031 HA THR 59 HA THR 59 -6.202 27.006 12.746 1032 HB THR 59 HB THR 59 -8.154 28.405 13.575 1033 HG1 THR 59 HG1 THR 59 -6.480 28.031 14.899 1034 HG21 THR 59 HG21 THR 59 -10.006 27.011 13.433 1035 HG22 THR 59 HG22 THR 59 -9.655 27.089 15.159 1036 HG23 THR 59 HG23 THR 59 -9.254 25.643 14.223 1037 H LEU 60 H LEU 60 -9.049 25.088 11.772 1038 HA LEU 60 HA LEU 60 -8.512 22.628 12.987 1039 HB2 LEU 60 HB2 LEU 60 -9.747 23.350 10.419 1040 HB3 LEU 60 HB3 LEU 60 -8.958 21.781 10.395 1041 HG LEU 60 HG LEU 60 -11.280 21.591 10.926 1042 HD11 LEU 60 HD11 LEU 60 -9.681 19.912 11.930 1043 HD12 LEU 60 HD12 LEU 60 -11.238 20.085 12.730 1044 HD13 LEU 60 HD13 LEU 60 -9.788 20.820 13.455 1045 HD21 LEU 60 HD21 LEU 60 -11.747 23.628 11.973 1046 HD22 LEU 60 HD22 LEU 60 -10.669 23.285 13.340 1047 HD23 LEU 60 HD23 LEU 60 -12.169 22.333 13.102 1048 H TYR 61 H TYR 61 -6.997 23.629 9.925 1049 HA TYR 61 HA TYR 61 -5.026 21.471 10.042 1050 HB2 TYR 61 HB2 TYR 61 -4.433 21.954 7.982 1051 HB3 TYR 61 HB3 TYR 61 -5.740 23.138 7.978 1052 HD1 TYR 61 HD1 TYR 61 -2.091 22.583 8.092 1053 HD2 TYR 61 HD2 TYR 61 -5.180 25.573 8.104 1054 HE1 TYR 61 HE1 TYR 61 -0.406 24.296 7.540 1055 HE2 TYR 61 HE2 TYR 61 -3.458 27.320 7.618 1056 HH TYR 61 HH TYR 61 -0.006 26.524 7.158 1057 H ASP 62 H ASP 62 -4.970 24.778 11.139 1058 HA ASP 62 HA ASP 62 -2.229 25.037 11.782 1059 HB2 ASP 62 HB2 ASP 62 -4.009 26.868 11.838 1060 HB3 ASP 62 HB3 ASP 62 -4.388 26.280 13.472 1061 H ARG 63 H ARG 63 -4.650 23.084 13.479 1062 HA ARG 63 HA ARG 63 -2.201 22.108 14.937 1063 HB2 ARG 63 HB2 ARG 63 -4.872 22.539 16.227 1064 HB3 ARG 63 HB3 ARG 63 -3.854 21.230 16.808 1065 HG2 ARG 63 HG2 ARG 63 -1.889 22.893 16.866 1066 HG3 ARG 63 HG3 ARG 63 -3.105 24.139 16.771 1067 HD2 ARG 63 HD2 ARG 63 -4.141 23.242 18.840 1068 HD3 ARG 63 HD3 ARG 63 -2.959 21.937 18.870 1069 HE ARG 63 HE ARG 63 -2.144 24.820 18.995 1070 HH11 ARG 63 HH22 ARG 63 -1.591 21.600 20.375 1071 HH12 ARG 63 HH21 ARG 63 0.146 21.916 20.377 1072 HH21 ARG 63 HH11 ARG 63 -0.046 25.199 19.555 1073 HH22 ARG 63 HH12 ARG 63 0.880 23.909 20.281 1074 H PHE 64 H PHE 64 -5.027 20.932 13.249 1075 HA PHE 64 HA PHE 64 -4.548 18.171 13.773 1076 HB2 PHE 64 HB2 PHE 64 -6.589 18.844 12.754 1077 HB3 PHE 64 HB3 PHE 64 -5.733 19.631 11.426 1078 HD1 PHE 64 HD2 PHE 64 -6.723 16.318 12.840 1079 HD2 PHE 64 HD1 PHE 64 -4.869 18.371 9.574 1080 HE1 PHE 64 HE2 PHE 64 -6.769 14.218 11.489 1081 HE2 PHE 64 HE1 PHE 64 -4.866 16.304 8.222 1082 HZ PHE 64 HZ PHE 64 -5.807 14.194 9.198 1083 H ARG 65 H ARG 65 -3.129 20.224 11.101 1084 HA ARG 65 HA ARG 65 -1.656 18.017 9.910 1085 HB2 ARG 65 HB2 ARG 65 -1.898 21.026 9.617 1086 HB3 ARG 65 HB3 ARG 65 -0.572 20.276 8.848 1087 HG2 ARG 65 HG2 ARG 65 -3.387 19.345 8.474 1088 HG3 ARG 65 HG3 ARG 65 -2.683 20.569 7.421 1089 HD2 ARG 65 HD2 ARG 65 -1.419 17.856 7.819 1090 HD3 ARG 65 HD3 ARG 65 -2.586 18.185 6.520 1091 HE ARG 65 HE ARG 65 -0.578 20.177 6.380 1092 HH11 ARG 65 HH11 ARG 65 -0.705 16.693 5.943 1093 HH12 ARG 65 HH12 ARG 65 0.640 16.707 4.830 1094 HH21 ARG 65 HH21 ARG 65 1.137 20.107 4.949 1095 HH22 ARG 65 HH22 ARG 65 1.652 18.579 4.304 1096 H PHE 66 H PHE 66 -0.958 20.586 11.994 1097 HA PHE 66 HA PHE 66 1.926 20.096 12.221 1098 HB2 PHE 66 HB2 PHE 66 0.069 22.056 13.597 1099 HB3 PHE 66 HB3 PHE 66 1.782 21.963 13.942 1100 HD1 PHE 66 HD1 PHE 66 3.438 22.155 11.900 1101 HD2 PHE 66 HD2 PHE 66 -0.663 23.468 11.851 1102 HE1 PHE 66 HE1 PHE 66 3.952 23.695 10.017 1103 HE2 PHE 66 HE2 PHE 66 -0.140 25.048 10.013 1104 HZ PHE 66 HZ PHE 66 2.164 25.147 9.071 1105 H GLU 67 H GLU 67 -0.647 19.957 14.720 1106 HA GLU 67 HA GLU 67 1.399 19.024 16.669 1107 HB2 GLU 67 HB2 GLU 67 -1.028 20.843 16.758 1108 HB3 GLU 67 HB3 GLU 67 -0.454 20.080 18.228 1109 HG2 GLU 67 HG2 GLU 67 1.401 21.654 16.394 1110 HG3 GLU 67 HG3 GLU 67 0.429 22.435 17.621 1111 H ASN 68 H ASN 68 -1.839 18.254 15.649 1112 HA ASN 68 HA ASN 68 -1.880 15.864 17.425 1113 HB2 ASN 68 HB2 ASN 68 -4.244 17.658 16.765 1114 HB3 ASN 68 HB3 ASN 68 -4.326 16.160 17.679 1115 HD21 ASN 68 HD21 ASN 68 -3.750 19.536 17.896 1116 HD22 ASN 68 HD22 ASN 68 -3.238 19.549 19.589 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -9.813 -8.730 -1.968 2 H2 GLY 1 H2 GLY 1 -9.232 -8.408 -3.469 3 H3 GLY 1 H3 GLY 1 -9.494 -7.183 -2.412 4 HA2 GLY 1 HA2 GLY 1 -7.767 -7.961 -0.949 5 HA3 GLY 1 HA3 GLY 1 -7.491 -9.318 -2.058 6 H SER 2 H SER 2 -5.333 -7.902 -1.510 7 HA SER 2 HA SER 2 -3.632 -6.599 -2.264 8 HB2 SER 2 HB2 SER 2 -4.696 -7.468 -4.967 9 HB3 SER 2 HB3 SER 2 -3.055 -6.893 -4.614 10 HG SER 2 HG SER 2 -3.196 -9.192 -4.613 11 H HIS 3 H HIS 3 -5.567 -4.923 -1.479 12 HA HIS 3 HA HIS 3 -6.583 -3.114 -3.414 13 HB2 HIS 3 HB2 HIS 3 -6.200 -2.816 -0.422 14 HB3 HIS 3 HB3 HIS 3 -7.235 -1.764 -1.382 15 HD1 HIS 3 HD1 HIS 3 -7.898 -4.172 0.984 16 HD2 HIS 3 HD2 HIS 3 -8.697 -4.128 -3.143 17 HE1 HIS 3 HE1 HIS 3 -9.777 -5.844 0.607 18 H MET 4 H MET 4 -5.503 -1.796 -4.647 19 HA MET 4 HA MET 4 -3.023 -0.412 -3.796 20 HB2 MET 4 HB2 MET 4 -4.550 -0.394 -6.435 21 HB3 MET 4 HB3 MET 4 -3.004 0.407 -6.140 22 HG2 MET 4 HG2 MET 4 -3.505 -2.588 -6.003 23 HG3 MET 4 HG3 MET 4 -2.714 -1.724 -7.315 24 HE1 MET 4 HE1 MET 4 0.112 -3.914 -5.633 25 HE2 MET 4 HE2 MET 4 -1.617 -4.317 -5.717 26 HE3 MET 4 HE3 MET 4 -0.801 -3.595 -7.124 27 H ARG 5 H ARG 5 -2.913 1.997 -4.376 28 HA ARG 5 HA ARG 5 -5.461 3.383 -3.645 29 HB2 ARG 5 HB2 ARG 5 -3.459 3.146 -1.903 30 HB3 ARG 5 HB3 ARG 5 -2.825 4.543 -2.744 31 HG2 ARG 5 HG2 ARG 5 -5.088 5.674 -2.358 32 HG3 ARG 5 HG3 ARG 5 -5.590 4.296 -1.496 33 HD2 ARG 5 HD2 ARG 5 -5.029 5.922 0.076 34 HD3 ARG 5 HD3 ARG 5 -4.041 4.479 0.238 35 HE ARG 5 HE ARG 5 -2.734 6.582 -1.318 36 HH11 ARG 5 HH21 ARG 5 -3.418 5.595 1.981 37 HH12 ARG 5 HH22 ARG 5 -1.882 6.174 2.571 38 HH21 ARG 5 HH11 ARG 5 -0.757 7.275 -0.485 39 HH22 ARG 5 HH12 ARG 5 -0.438 7.128 1.216 40 H MET 6 H MET 6 -6.014 5.126 -4.773 41 HA MET 6 HA MET 6 -3.998 6.307 -6.584 42 HB2 MET 6 HB2 MET 6 -6.966 6.099 -7.234 43 HB3 MET 6 HB3 MET 6 -5.681 6.583 -8.321 44 HG2 MET 6 HG2 MET 6 -6.104 3.828 -7.107 45 HG3 MET 6 HG3 MET 6 -6.564 4.299 -8.738 46 HE1 MET 6 HE1 MET 6 -3.188 4.588 -10.651 47 HE2 MET 6 HE2 MET 6 -4.960 4.653 -10.749 48 HE3 MET 6 HE3 MET 6 -4.066 5.930 -9.891 49 H SER 7 H SER 7 -3.758 7.523 -4.565 50 HA SER 7 HA SER 7 -5.526 9.037 -3.292 51 HB2 SER 7 HB2 SER 7 -2.655 9.766 -3.857 52 HB3 SER 7 HB3 SER 7 -3.696 10.751 -2.800 53 HG SER 7 HG SER 7 -2.478 9.029 -1.736 54 H LEU 8 H LEU 8 -6.985 10.388 -3.850 55 HA LEU 8 HA LEU 8 -8.317 11.795 -4.782 56 HB2 LEU 8 HB2 LEU 8 -6.281 13.947 -4.918 57 HB3 LEU 8 HB3 LEU 8 -7.904 13.955 -4.356 58 HG LEU 8 HG LEU 8 -5.721 12.473 -2.804 59 HD11 LEU 8 HD11 LEU 8 -5.164 14.818 -2.851 60 HD12 LEU 8 HD12 LEU 8 -5.668 14.229 -1.258 61 HD13 LEU 8 HD13 LEU 8 -6.797 15.219 -2.239 62 HD21 LEU 8 HD21 LEU 8 -8.017 11.716 -2.405 63 HD22 LEU 8 HD22 LEU 8 -8.549 13.411 -2.293 64 HD23 LEU 8 HD23 LEU 8 -7.495 12.707 -1.025 65 H ILE 9 H ILE 9 -8.475 10.413 -6.638 66 HA ILE 9 HA ILE 9 -7.555 11.223 -9.209 67 HB ILE 9 HB ILE 9 -10.273 9.988 -8.720 68 HG12 ILE 9 HG12 ILE 9 -7.657 8.507 -8.322 69 HG13 ILE 9 HG13 ILE 9 -8.879 8.774 -7.118 70 HG21 ILE 9 HG21 ILE 9 -8.094 9.330 -10.755 71 HG22 ILE 9 HG22 ILE 9 -9.780 8.775 -10.785 72 HG23 ILE 9 HG23 ILE 9 -9.420 10.473 -11.061 73 HD11 ILE 9 HD11 ILE 9 -10.508 7.490 -8.539 74 HD12 ILE 9 HD12 ILE 9 -9.109 6.955 -9.509 75 HD13 ILE 9 HD13 ILE 9 -9.198 6.573 -7.781 76 H GLY 10 H GLY 10 -10.122 12.371 -7.143 77 HA2 GLY 10 HA2 GLY 10 -11.225 14.484 -7.312 78 HA3 GLY 10 HA3 GLY 10 -10.939 14.528 -9.037 79 H GLU 11 H GLU 11 -12.052 11.436 -8.380 80 HA GLU 11 HA GLU 11 -14.936 12.120 -8.081 81 HB2 GLU 11 HB2 GLU 11 -13.937 10.147 -10.178 82 HB3 GLU 11 HB3 GLU 11 -15.614 10.463 -9.741 83 HG2 GLU 11 HG2 GLU 11 -15.359 12.833 -10.494 84 HG3 GLU 11 HG3 GLU 11 -13.716 12.466 -11.032 85 H ARG 12 H ARG 12 -12.777 9.296 -8.510 86 HA ARG 12 HA ARG 12 -12.400 7.421 -7.287 87 HB2 ARG 12 HB2 ARG 12 -13.218 8.832 -4.777 88 HB3 ARG 12 HB3 ARG 12 -12.131 7.526 -5.062 89 HG2 ARG 12 HG2 ARG 12 -10.453 9.019 -4.919 90 HG3 ARG 12 HG3 ARG 12 -10.870 9.463 -6.550 91 HD2 ARG 12 HD2 ARG 12 -10.761 11.492 -5.260 92 HD3 ARG 12 HD3 ARG 12 -12.463 11.213 -5.590 93 HE ARG 12 HE ARG 12 -11.032 10.783 -2.987 94 HH11 ARG 12 HH11 ARG 12 -14.079 11.477 -4.568 95 HH12 ARG 12 HH12 ARG 12 -14.865 11.758 -3.065 96 HH21 ARG 12 HH21 ARG 12 -12.204 11.086 -1.090 97 HH22 ARG 12 HH22 ARG 12 -13.904 11.421 -1.194 98 H PHE 13 H PHE 13 -14.765 7.375 -8.514 99 HA PHE 13 HA PHE 13 -16.933 6.947 -6.667 100 HB2 PHE 13 HB2 PHE 13 -16.679 8.180 -9.043 101 HB3 PHE 13 HB3 PHE 13 -17.181 6.610 -9.629 102 HD1 PHE 13 HD2 PHE 13 -17.889 9.042 -6.896 103 HD2 PHE 13 HD1 PHE 13 -19.596 6.388 -9.825 104 HE1 PHE 13 HE2 PHE 13 -20.204 9.840 -6.288 105 HE2 PHE 13 HE1 PHE 13 -21.887 7.147 -9.200 106 HZ PHE 13 HZ PHE 13 -22.184 8.876 -7.436 107 H THR 14 H THR 14 -16.646 5.052 -5.650 108 HA THR 14 HA THR 14 -17.103 2.981 -5.076 109 HB THR 14 HB THR 14 -19.290 3.308 -5.598 110 HG1 THR 14 HG1 THR 14 -19.952 1.261 -6.184 111 HG21 THR 14 HG21 THR 14 -19.221 4.267 -7.819 112 HG22 THR 14 HG22 THR 14 -20.355 2.913 -7.779 113 HG23 THR 14 HG23 THR 14 -18.758 2.701 -8.529 114 H GLU 15 H GLU 15 -16.855 2.369 -8.616 115 HA GLU 15 HA GLU 15 -15.027 0.120 -8.270 116 HB2 GLU 15 HB2 GLU 15 -15.729 1.885 -10.652 117 HB3 GLU 15 HB3 GLU 15 -14.670 0.480 -10.743 118 HG2 GLU 15 HG2 GLU 15 -17.598 0.387 -9.888 119 HG3 GLU 15 HG3 GLU 15 -17.001 0.041 -11.503 120 H GLU 16 H GLU 16 -14.669 3.638 -8.544 121 HA GLU 16 HA GLU 16 -11.702 3.370 -8.661 122 HB2 GLU 16 HB2 GLU 16 -13.227 5.952 -8.879 123 HB3 GLU 16 HB3 GLU 16 -11.575 5.621 -9.320 124 HG2 GLU 16 HG2 GLU 16 -14.064 4.612 -10.753 125 HG3 GLU 16 HG3 GLU 16 -12.969 5.869 -11.300 126 H GLU 17 H GLU 17 -13.904 3.326 -6.315 127 HA GLU 17 HA GLU 17 -12.919 5.198 -4.401 128 HB2 GLU 17 HB2 GLU 17 -15.152 4.016 -4.458 129 HB3 GLU 17 HB3 GLU 17 -14.341 2.587 -3.799 130 HG2 GLU 17 HG2 GLU 17 -13.723 3.922 -1.780 131 HG3 GLU 17 HG3 GLU 17 -14.466 5.343 -2.519 132 H GLN 18 H GLN 18 -11.430 2.270 -5.340 133 HA GLN 18 HA GLN 18 -10.261 1.124 -3.281 134 HB2 GLN 18 HB2 GLN 18 -8.382 0.434 -4.478 135 HB3 GLN 18 HB3 GLN 18 -9.652 0.595 -5.673 136 HG2 GLN 18 HG2 GLN 18 -7.374 2.557 -5.232 137 HG3 GLN 18 HG3 GLN 18 -7.532 1.315 -6.496 138 HE21 GLN 18 HE22 GLN 18 -8.172 4.584 -5.784 139 HE22 GLN 18 HE21 GLN 18 -9.513 4.828 -6.906 140 H LYS 19 H LYS 19 -9.275 4.310 -4.229 141 HA LYS 19 HA LYS 19 -7.167 4.849 -2.453 142 HB2 LYS 19 HB2 LYS 19 -7.695 6.466 -4.063 143 HB3 LYS 19 HB3 LYS 19 -9.364 6.380 -3.714 144 HG2 LYS 19 HG2 LYS 19 -8.182 8.505 -3.186 145 HG3 LYS 19 HG3 LYS 19 -9.356 7.816 -2.063 146 HD2 LYS 19 HD2 LYS 19 -8.014 7.587 -0.400 147 HD3 LYS 19 HD3 LYS 19 -6.647 7.063 -1.345 148 HE2 LYS 19 HE2 LYS 19 -6.868 9.744 -2.091 149 HE3 LYS 19 HE3 LYS 19 -7.693 9.855 -0.558 150 HZ1 LYS 19 HZ1 LYS 19 -4.861 8.906 -0.886 151 HZ2 LYS 19 HZ2 LYS 19 -5.625 9.238 0.558 152 HZ3 LYS 19 HZ3 LYS 19 -5.286 10.412 -0.486 153 H LEU 20 H LEU 20 -10.565 5.386 -1.853 154 HA LEU 20 HA LEU 20 -10.238 6.205 0.900 155 HB2 LEU 20 HB2 LEU 20 -12.764 5.535 -0.708 156 HB3 LEU 20 HB3 LEU 20 -12.737 6.410 0.766 157 HG LEU 20 HG LEU 20 -13.151 8.031 -0.692 158 HD11 LEU 20 HD11 LEU 20 -10.166 8.105 -0.093 159 HD12 LEU 20 HD12 LEU 20 -11.505 8.848 0.764 160 HD13 LEU 20 HD13 LEU 20 -11.041 9.435 -0.849 161 HD21 LEU 20 HD21 LEU 20 -11.998 8.342 -2.827 162 HD22 LEU 20 HD22 LEU 20 -12.912 6.835 -2.704 163 HD23 LEU 20 HD23 LEU 20 -11.169 6.799 -2.638 164 H LEU 21 H LEU 21 -11.261 3.389 -0.858 165 HA LEU 21 HA LEU 21 -12.076 1.663 1.297 166 HB2 LEU 21 HB2 LEU 21 -12.582 0.403 -0.480 167 HB3 LEU 21 HB3 LEU 21 -11.565 1.345 -1.544 168 HG LEU 21 HG LEU 21 -9.603 0.002 -0.933 169 HD11 LEU 21 HD11 LEU 21 -9.721 -1.161 1.107 170 HD12 LEU 21 HD12 LEU 21 -10.480 -2.410 0.167 171 HD13 LEU 21 HD13 LEU 21 -11.496 -1.264 1.046 172 HD21 LEU 21 HD21 LEU 21 -10.967 -0.731 -2.835 173 HD22 LEU 21 HD22 LEU 21 -11.655 -1.970 -1.762 174 HD23 LEU 21 HD23 LEU 21 -9.876 -1.860 -2.008 175 H LEU 22 H LEU 22 -8.752 2.396 -0.154 176 HA LEU 22 HA LEU 22 -7.780 0.085 1.231 177 HB2 LEU 22 HB2 LEU 22 -6.575 0.770 -0.652 178 HB3 LEU 22 HB3 LEU 22 -6.389 2.431 -0.113 179 HG LEU 22 HG LEU 22 -4.314 1.122 -0.175 180 HD11 LEU 22 HD11 LEU 22 -4.714 3.009 1.570 181 HD12 LEU 22 HD12 LEU 22 -3.301 1.946 1.729 182 HD13 LEU 22 HD13 LEU 22 -4.712 1.704 2.755 183 HD21 LEU 22 HD21 LEU 22 -5.497 -0.525 2.097 184 HD22 LEU 22 HD22 LEU 22 -3.822 -0.595 1.509 185 HD23 LEU 22 HD23 LEU 22 -5.150 -1.077 0.449 186 H ASN 23 H ASN 23 -7.743 3.527 1.620 187 HA ASN 23 HA ASN 23 -6.452 4.067 4.053 188 HB2 ASN 23 HB2 ASN 23 -8.577 5.352 2.299 189 HB3 ASN 23 HB3 ASN 23 -8.181 6.087 3.765 190 HD21 ASN 23 HD21 ASN 23 -7.736 7.298 1.382 191 HD22 ASN 23 HD22 ASN 23 -6.012 7.389 1.091 192 H ILE 24 H ILE 24 -10.010 3.328 3.652 193 HA ILE 24 HA ILE 24 -10.341 3.627 6.566 194 HB ILE 24 HB ILE 24 -12.558 2.817 6.353 195 HG12 ILE 24 HG12 ILE 24 -11.846 2.071 3.522 196 HG13 ILE 24 HG13 ILE 24 -12.344 1.018 4.808 197 HG21 ILE 24 HG21 ILE 24 -13.518 4.618 5.099 198 HG22 ILE 24 HG22 ILE 24 -12.040 5.184 5.875 199 HG23 ILE 24 HG23 ILE 24 -12.042 4.829 4.145 200 HD11 ILE 24 HD11 ILE 24 -14.091 3.058 3.379 201 HD12 ILE 24 HD12 ILE 24 -14.191 1.293 3.284 202 HD13 ILE 24 HD13 ILE 24 -14.608 2.117 4.802 203 H LEU 25 H LEU 25 -9.522 0.984 4.434 204 HA LEU 25 HA LEU 25 -10.146 -1.090 6.293 205 HB2 LEU 25 HB2 LEU 25 -10.116 -1.279 3.812 206 HB3 LEU 25 HB3 LEU 25 -8.362 -1.096 3.832 207 HG LEU 25 HG LEU 25 -8.191 -3.213 5.189 208 HD11 LEU 25 HD11 LEU 25 -11.182 -3.356 4.597 209 HD12 LEU 25 HD12 LEU 25 -10.426 -3.275 6.204 210 HD13 LEU 25 HD13 LEU 25 -10.195 -4.711 5.201 211 HD21 LEU 25 HD21 LEU 25 -9.676 -3.443 2.548 212 HD22 LEU 25 HD22 LEU 25 -8.674 -4.704 3.311 213 HD23 LEU 25 HD23 LEU 25 -7.921 -3.195 2.754 214 H ILE 26 H ILE 26 -7.188 0.748 5.612 215 HA ILE 26 HA ILE 26 -5.495 -0.832 7.394 216 HB ILE 26 HB ILE 26 -3.764 0.758 6.947 217 HG12 ILE 26 HG12 ILE 26 -5.593 2.415 5.193 218 HG13 ILE 26 HG13 ILE 26 -5.367 2.817 6.897 219 HG21 ILE 26 HG21 ILE 26 -3.516 0.408 4.546 220 HG22 ILE 26 HG22 ILE 26 -4.152 -1.030 5.350 221 HG23 ILE 26 HG23 ILE 26 -5.230 -0.005 4.398 222 HD11 ILE 26 HD11 ILE 26 -3.842 4.130 5.556 223 HD12 ILE 26 HD12 ILE 26 -2.905 2.968 6.520 224 HD13 ILE 26 HD13 ILE 26 -3.175 2.681 4.784 225 H ASN 27 H ASN 27 -4.047 0.984 8.768 226 HA ASN 27 HA ASN 27 -5.119 0.907 11.268 227 HB2 ASN 27 HB2 ASN 27 -3.134 3.007 10.272 228 HB3 ASN 27 HB3 ASN 27 -3.281 2.390 11.914 229 HD21 ASN 27 HD21 ASN 27 -1.803 1.896 8.821 230 HD22 ASN 27 HD22 ASN 27 -1.058 0.360 9.208 231 H HIS 28 H HIS 28 -5.421 3.754 9.090 232 HA HIS 28 HA HIS 28 -7.705 4.720 10.591 233 HB2 HIS 28 HB2 HIS 28 -6.752 6.989 11.004 234 HB3 HIS 28 HB3 HIS 28 -5.973 5.736 11.954 235 HD1 HIS 28 HD1 HIS 28 -3.358 5.574 11.712 236 HD2 HIS 28 HD2 HIS 28 -5.271 7.877 8.756 237 HE1 HIS 28 HE1 HIS 28 -1.502 6.659 10.338 238 H GLU 29 H GLU 29 -8.889 6.318 9.572 239 HA GLU 29 HA GLU 29 -9.153 6.010 6.787 240 HB2 GLU 29 HB2 GLU 29 -10.507 8.090 8.550 241 HB3 GLU 29 HB3 GLU 29 -11.035 7.499 6.977 242 HG2 GLU 29 HG2 GLU 29 -12.377 6.191 8.218 243 HG3 GLU 29 HG3 GLU 29 -10.982 5.125 8.251 244 H TYR 30 H TYR 30 -6.939 6.670 6.262 245 HA TYR 30 HA TYR 30 -5.773 9.071 6.632 246 HB2 TYR 30 HB2 TYR 30 -4.751 6.943 5.846 247 HB3 TYR 30 HB3 TYR 30 -5.475 7.235 4.256 248 HD1 TYR 30 HD2 TYR 30 -3.351 9.117 6.748 249 HD2 TYR 30 HD1 TYR 30 -4.101 8.131 2.621 250 HE1 TYR 30 HE2 TYR 30 -1.432 10.536 6.056 251 HE2 TYR 30 HE1 TYR 30 -2.128 9.440 1.932 252 HH TYR 30 HH TYR 30 -0.326 10.719 2.642 253 H ALA 31 H ALA 31 -8.055 8.533 3.929 254 HA ALA 31 HA ALA 31 -7.421 10.554 2.185 255 HB1 ALA 31 HB1 ALA 31 -9.809 10.582 1.654 256 HB2 ALA 31 HB2 ALA 31 -9.242 8.919 1.943 257 HB3 ALA 31 HB3 ALA 31 -10.190 9.774 3.188 258 H ILE 32 H ILE 32 -9.216 10.873 5.259 259 HA ILE 32 HA ILE 32 -9.761 13.631 4.982 260 HB ILE 32 HB ILE 32 -9.655 11.926 7.496 261 HG12 ILE 32 HG12 ILE 32 -11.106 10.799 6.009 262 HG13 ILE 32 HG13 ILE 32 -12.129 11.690 7.112 263 HG21 ILE 32 HG21 ILE 32 -10.919 14.616 6.869 264 HG22 ILE 32 HG22 ILE 32 -11.363 13.596 8.247 265 HG23 ILE 32 HG23 ILE 32 -9.687 14.222 8.101 266 HD11 ILE 32 HD11 ILE 32 -12.639 13.353 5.388 267 HD12 ILE 32 HD12 ILE 32 -11.467 12.617 4.262 268 HD13 ILE 32 HD13 ILE 32 -12.869 11.712 4.732 269 H GLU 33 H GLU 33 -6.978 12.064 6.462 270 HA GLU 33 HA GLU 33 -5.972 14.446 7.599 271 HB2 GLU 33 HB2 GLU 33 -5.006 12.180 8.017 272 HB3 GLU 33 HB3 GLU 33 -4.237 12.233 6.417 273 HG2 GLU 33 HG2 GLU 33 -2.965 14.248 7.085 274 HG3 GLU 33 HG3 GLU 33 -3.778 14.267 8.649 275 H LEU 34 H LEU 34 -5.632 13.149 4.266 276 HA LEU 34 HA LEU 34 -4.185 15.328 3.158 277 HB2 LEU 34 HB2 LEU 34 -6.111 13.234 2.076 278 HB3 LEU 34 HB3 LEU 34 -5.680 14.570 1.055 279 HG LEU 34 HG LEU 34 -4.443 12.430 0.754 280 HD11 LEU 34 HD11 LEU 34 -2.694 14.849 1.418 281 HD12 LEU 34 HD12 LEU 34 -3.572 14.618 -0.107 282 HD13 LEU 34 HD13 LEU 34 -2.264 13.510 0.335 283 HD21 LEU 34 HD21 LEU 34 -4.086 11.773 3.032 284 HD22 LEU 34 HD22 LEU 34 -2.982 13.159 3.282 285 HD23 LEU 34 HD23 LEU 34 -2.568 11.898 2.110 286 H LEU 35 H LEU 35 -7.755 14.851 3.497 287 HA LEU 35 HA LEU 35 -8.650 17.142 2.191 288 HB2 LEU 35 HB2 LEU 35 -9.989 15.290 3.289 289 HB3 LEU 35 HB3 LEU 35 -9.733 16.050 4.840 290 HG LEU 35 HG LEU 35 -11.276 17.323 2.550 291 HD11 LEU 35 HD11 LEU 35 -12.232 16.085 5.167 292 HD12 LEU 35 HD12 LEU 35 -12.310 15.263 3.600 293 HD13 LEU 35 HD13 LEU 35 -13.226 16.752 3.849 294 HD21 LEU 35 HD21 LEU 35 -10.718 18.179 5.391 295 HD22 LEU 35 HD22 LEU 35 -12.154 18.736 4.499 296 HD23 LEU 35 HD23 LEU 35 -10.552 19.125 3.895 297 H SER 36 H SER 36 -7.847 17.039 5.757 298 HA SER 36 HA SER 36 -8.103 19.835 6.140 299 HB2 SER 36 HB2 SER 36 -7.031 19.539 8.232 300 HB3 SER 36 HB3 SER 36 -7.989 18.074 7.925 301 HG SER 36 HG SER 36 -6.038 17.089 7.157 302 H SER 37 H SER 37 -5.220 17.925 5.233 303 HA SER 37 HA SER 37 -3.360 19.987 5.457 304 HB2 SER 37 HB2 SER 37 -3.046 17.437 5.009 305 HB3 SER 37 HB3 SER 37 -3.068 17.893 3.295 306 HG SER 37 HG SER 37 -0.976 18.102 3.880 307 H GLU 38 H GLU 38 -5.349 18.876 2.827 308 HA GLU 38 HA GLU 38 -4.492 20.539 0.626 309 HB2 GLU 38 HB2 GLU 38 -6.883 18.752 1.178 310 HB3 GLU 38 HB3 GLU 38 -6.915 19.740 -0.230 311 HG2 GLU 38 HG2 GLU 38 -4.659 17.781 0.394 312 HG3 GLU 38 HG3 GLU 38 -6.067 17.401 -0.591 313 H ILE 39 H ILE 39 -7.385 20.798 2.770 314 HA ILE 39 HA ILE 39 -8.382 23.145 1.478 315 HB ILE 39 HB ILE 39 -9.679 23.534 3.524 316 HG12 ILE 39 HG12 ILE 39 -9.646 21.187 4.966 317 HG13 ILE 39 HG13 ILE 39 -7.942 21.470 4.672 318 HG21 ILE 39 HG21 ILE 39 -9.715 20.741 2.314 319 HG22 ILE 39 HG22 ILE 39 -11.075 21.476 3.204 320 HG23 ILE 39 HG23 ILE 39 -10.508 22.196 1.695 321 HD11 ILE 39 HD11 ILE 39 -8.650 22.458 6.810 322 HD12 ILE 39 HD12 ILE 39 -8.216 23.772 5.699 323 HD13 ILE 39 HD13 ILE 39 -9.922 23.383 5.989 324 H ASN 40 H ASN 40 -6.263 22.722 4.332 325 HA ASN 40 HA ASN 40 -5.983 25.593 4.588 326 HB2 ASN 40 HB2 ASN 40 -4.639 25.322 6.345 327 HB3 ASN 40 HB3 ASN 40 -5.516 23.798 6.388 328 HD21 ASN 40 HD21 ASN 40 -4.335 21.908 6.063 329 HD22 ASN 40 HD22 ASN 40 -2.583 21.901 5.881 330 H ASP 41 H ASP 41 -4.212 23.340 2.492 331 HA ASP 41 HA ASP 41 -2.037 25.182 1.926 332 HB2 ASP 41 HB2 ASP 41 -2.236 22.619 1.486 333 HB3 ASP 41 HB3 ASP 41 -3.079 23.077 0.012 334 H ILE 42 H ILE 42 -5.331 24.790 0.737 335 HA ILE 42 HA ILE 42 -4.947 26.823 -1.401 336 HB ILE 42 HB ILE 42 -7.272 25.117 -0.509 337 HG12 ILE 42 HG12 ILE 42 -7.231 24.481 -2.917 338 HG13 ILE 42 HG13 ILE 42 -5.900 25.595 -3.204 339 HG21 ILE 42 HG21 ILE 42 -8.330 27.288 -0.917 340 HG22 ILE 42 HG22 ILE 42 -7.437 27.469 -2.447 341 HG23 ILE 42 HG23 ILE 42 -8.670 26.204 -2.261 342 HD11 ILE 42 HD11 ILE 42 -5.054 23.312 -3.056 343 HD12 ILE 42 HD12 ILE 42 -4.470 24.180 -1.653 344 HD13 ILE 42 HD13 ILE 42 -5.853 23.095 -1.484 345 H GLU 43 H GLU 43 -6.581 26.648 1.714 346 HA GLU 43 HA GLU 43 -7.685 29.257 1.688 347 HB2 GLU 43 HB2 GLU 43 -8.227 27.280 3.205 348 HB3 GLU 43 HB3 GLU 43 -6.847 27.709 4.179 349 HG2 GLU 43 HG2 GLU 43 -8.915 28.582 5.156 350 HG3 GLU 43 HG3 GLU 43 -7.819 29.884 4.720 351 H THR 44 H THR 44 -4.723 28.170 3.314 352 HA THR 44 HA THR 44 -3.864 31.032 3.669 353 HB THR 44 HB THR 44 -4.551 30.100 5.769 354 HG1 THR 44 HG1 THR 44 -2.687 30.570 6.889 355 HG21 THR 44 HG21 THR 44 -4.189 27.734 5.554 356 HG22 THR 44 HG22 THR 44 -3.194 28.321 6.885 357 HG23 THR 44 HG23 THR 44 -2.440 27.955 5.317 358 H GLY 45 H GLY 45 -2.668 27.740 2.879 359 HA2 GLY 45 HA2 GLY 45 -0.004 28.544 2.234 360 HA3 GLY 45 HA3 GLY 45 -0.869 27.177 1.528 361 H THR 46 H THR 46 -2.967 29.109 0.486 362 HA THR 46 HA THR 46 -3.536 30.196 -1.363 363 HB THR 46 HB THR 46 -0.944 31.736 -1.417 364 HG1 THR 46 HG1 THR 46 -1.803 33.038 0.176 365 HG21 THR 46 HG21 THR 46 -2.712 32.257 -3.128 366 HG22 THR 46 HG22 THR 46 -2.493 33.589 -1.986 367 HG23 THR 46 HG23 THR 46 -3.883 32.490 -1.815 368 H LYS 47 H LYS 47 -2.679 27.745 -1.890 369 HA LYS 47 HA LYS 47 -1.163 27.472 -4.335 370 HB2 LYS 47 HB2 LYS 47 -3.584 25.928 -3.318 371 HB3 LYS 47 HB3 LYS 47 -2.572 25.420 -4.657 372 HG2 LYS 47 HG2 LYS 47 -1.568 25.782 -1.814 373 HG3 LYS 47 HG3 LYS 47 -2.155 24.270 -2.452 374 HD2 LYS 47 HD2 LYS 47 0.184 25.804 -3.661 375 HD3 LYS 47 HD3 LYS 47 0.388 24.691 -2.338 376 HE2 LYS 47 HE2 LYS 47 -0.701 23.924 -5.081 377 HE3 LYS 47 HE3 LYS 47 0.930 23.633 -4.467 378 HZ1 LYS 47 HZ1 LYS 47 -1.568 22.356 -3.573 379 HZ2 LYS 47 HZ2 LYS 47 -0.314 22.438 -2.547 380 HZ3 LYS 47 HZ3 LYS 47 -0.157 21.646 -3.989 381 H ASN 48 H ASN 48 -1.892 27.392 -6.523 382 HA ASN 48 HA ASN 48 -4.489 28.679 -7.159 383 HB2 ASN 48 HB2 ASN 48 -2.870 30.522 -6.934 384 HB3 ASN 48 HB3 ASN 48 -1.766 29.718 -8.051 385 HD21 ASN 48 HD21 ASN 48 -1.901 30.492 -10.141 386 HD22 ASN 48 HD22 ASN 48 -3.351 31.204 -10.833 387 H VAL 49 H VAL 49 -5.473 27.436 -8.557 388 HA VAL 49 HA VAL 49 -4.319 26.481 -11.027 389 HB VAL 49 HB VAL 49 -3.445 24.740 -9.581 390 HG11 VAL 49 HG11 VAL 49 -5.001 24.843 -7.689 391 HG12 VAL 49 HG12 VAL 49 -6.286 24.166 -8.715 392 HG13 VAL 49 HG13 VAL 49 -4.849 23.197 -8.313 393 HG21 VAL 49 HG21 VAL 49 -5.781 23.485 -11.052 394 HG22 VAL 49 HG22 VAL 49 -4.278 24.044 -11.836 395 HG23 VAL 49 HG23 VAL 49 -4.233 22.749 -10.625 396 H ASP 50 H ASP 50 -6.001 25.267 -12.270 397 HA ASP 50 HA ASP 50 -8.659 26.416 -12.228 398 HB2 ASP 50 HB2 ASP 50 -7.236 25.644 -14.215 399 HB3 ASP 50 HB3 ASP 50 -7.592 23.991 -13.722 400 H GLY 51 H GLY 51 -10.468 24.414 -12.602 401 HA2 GLY 51 HA2 GLY 51 -11.394 23.672 -10.201 402 HA3 GLY 51 HA3 GLY 51 -11.774 22.799 -11.670 403 H THR 52 H THR 52 -8.601 22.082 -11.370 404 HA THR 52 HA THR 52 -8.758 19.421 -10.559 405 HB THR 52 HB THR 52 -6.478 21.412 -10.174 406 HG1 THR 52 HG1 THR 52 -5.852 20.661 -12.230 407 HG21 THR 52 HG21 THR 52 -6.177 19.203 -9.037 408 HG22 THR 52 HG22 THR 52 -5.024 19.480 -10.358 409 HG23 THR 52 HG23 THR 52 -6.436 18.415 -10.617 410 H THR 53 H THR 53 -7.427 22.071 -8.415 411 HA THR 53 HA THR 53 -7.567 20.407 -6.133 412 HB THR 53 HB THR 53 -6.063 22.368 -6.446 413 HG1 THR 53 HG1 THR 53 -6.285 21.410 -4.461 414 HG21 THR 53 HG21 THR 53 -8.364 24.074 -5.407 415 HG22 THR 53 HG22 THR 53 -7.854 24.071 -7.110 416 HG23 THR 53 HG23 THR 53 -6.726 24.584 -5.842 417 H TYR 54 H TYR 54 -9.872 22.807 -7.331 418 HA TYR 54 HA TYR 54 -11.773 22.890 -5.239 419 HB2 TYR 54 HB2 TYR 54 -12.111 22.820 -8.268 420 HB3 TYR 54 HB3 TYR 54 -13.437 23.090 -7.171 421 HD1 TYR 54 HD2 TYR 54 -10.270 24.583 -8.431 422 HD2 TYR 54 HD1 TYR 54 -13.749 25.128 -5.934 423 HE1 TYR 54 HE2 TYR 54 -9.770 27.016 -8.282 424 HE2 TYR 54 HE1 TYR 54 -13.244 27.574 -5.781 425 HH TYR 54 HH TYR 54 -10.419 29.045 -7.432 426 H LYS 55 H LYS 55 -11.713 20.643 -8.080 427 HA LYS 55 HA LYS 55 -13.751 19.043 -7.195 428 HB2 LYS 55 HB2 LYS 55 -12.981 19.390 -9.502 429 HB3 LYS 55 HB3 LYS 55 -11.525 18.521 -9.174 430 HG2 LYS 55 HG2 LYS 55 -13.051 16.746 -9.957 431 HG3 LYS 55 HG3 LYS 55 -13.360 16.669 -8.250 432 HD2 LYS 55 HD2 LYS 55 -15.044 18.675 -8.754 433 HD3 LYS 55 HD3 LYS 55 -14.992 18.034 -10.393 434 HE2 LYS 55 HE2 LYS 55 -15.575 15.749 -9.525 435 HE3 LYS 55 HE3 LYS 55 -15.713 16.424 -7.899 436 HZ1 LYS 55 HZ1 LYS 55 -17.387 17.222 -10.228 437 HZ2 LYS 55 HZ2 LYS 55 -17.519 17.860 -8.729 438 HZ3 LYS 55 HZ3 LYS 55 -17.886 16.290 -8.987 439 H LYS 56 H LYS 56 -10.220 18.477 -6.771 440 HA LYS 56 HA LYS 56 -10.379 16.079 -5.167 441 HB2 LYS 56 HB2 LYS 56 -8.407 18.334 -5.207 442 HB3 LYS 56 HB3 LYS 56 -8.387 17.096 -3.947 443 HG2 LYS 56 HG2 LYS 56 -7.078 16.013 -5.427 444 HG3 LYS 56 HG3 LYS 56 -8.613 15.381 -5.951 445 HD2 LYS 56 HD2 LYS 56 -8.804 16.938 -7.798 446 HD3 LYS 56 HD3 LYS 56 -7.254 17.713 -7.389 447 HE2 LYS 56 HE2 LYS 56 -6.143 15.472 -7.656 448 HE3 LYS 56 HE3 LYS 56 -7.717 14.757 -8.008 449 HZ1 LYS 56 HZ1 LYS 56 -6.321 16.724 -9.716 450 HZ2 LYS 56 HZ2 LYS 56 -7.837 16.147 -10.010 451 HZ3 LYS 56 HZ3 LYS 56 -6.551 15.147 -10.040 452 H LEU 57 H LEU 57 -10.754 19.477 -4.034 453 HA LEU 57 HA LEU 57 -11.067 18.754 -1.272 454 HB2 LEU 57 HB2 LEU 57 -10.095 20.703 -2.042 455 HB3 LEU 57 HB3 LEU 57 -11.503 21.242 -2.957 456 HG LEU 57 HG LEU 57 -11.461 21.069 0.073 457 HD11 LEU 57 HD11 LEU 57 -9.726 22.641 -0.743 458 HD12 LEU 57 HD12 LEU 57 -11.081 23.562 -0.068 459 HD13 LEU 57 HD13 LEU 57 -10.906 23.412 -1.823 460 HD21 LEU 57 HD21 LEU 57 -13.762 21.228 -0.728 461 HD22 LEU 57 HD22 LEU 57 -13.297 22.471 -1.912 462 HD23 LEU 57 HD23 LEU 57 -13.287 22.821 -0.171 463 H VAL 58 H VAL 58 -13.434 19.472 -3.835 464 HA VAL 58 HA VAL 58 -15.650 19.171 -1.985 465 HB VAL 58 HB VAL 58 -15.521 20.788 -3.882 466 HG11 VAL 58 HG11 VAL 58 -14.814 18.996 -5.551 467 HG12 VAL 58 HG12 VAL 58 -16.522 18.576 -5.695 468 HG13 VAL 58 HG13 VAL 58 -15.948 20.225 -6.102 469 HG21 VAL 58 HG21 VAL 58 -18.005 19.060 -3.784 470 HG22 VAL 58 HG22 VAL 58 -17.594 20.407 -2.682 471 HG23 VAL 58 HG23 VAL 58 -17.896 20.724 -4.397 472 H THR 59 H THR 59 -13.912 16.998 -4.083 473 HA THR 59 HA THR 59 -16.004 14.945 -4.117 474 HB THR 59 HB THR 59 -14.173 15.203 -5.859 475 HG1 THR 59 HG1 THR 59 -15.410 13.530 -6.091 476 HG21 THR 59 HG21 THR 59 -12.221 13.645 -5.445 477 HG22 THR 59 HG22 THR 59 -12.554 13.799 -3.702 478 HG23 THR 59 HG23 THR 59 -12.191 15.214 -4.658 479 H LEU 60 H LEU 60 -13.187 15.693 -2.154 480 HA LEU 60 HA LEU 60 -12.884 13.564 -0.397 481 HB2 LEU 60 HB2 LEU 60 -12.542 16.488 -0.135 482 HB3 LEU 60 HB3 LEU 60 -12.822 15.646 1.368 483 HG LEU 60 HG LEU 60 -10.543 15.904 1.091 484 HD11 LEU 60 HD11 LEU 60 -11.259 13.704 2.038 485 HD12 LEU 60 HD12 LEU 60 -9.612 13.841 1.391 486 HD13 LEU 60 HD13 LEU 60 -10.864 12.984 0.452 487 HD21 LEU 60 HD21 LEU 60 -9.201 14.846 -0.684 488 HD22 LEU 60 HD22 LEU 60 -10.149 16.256 -1.116 489 HD23 LEU 60 HD23 LEU 60 -10.736 14.630 -1.594 490 H TYR 61 H TYR 61 -15.138 16.255 0.161 491 HA TYR 61 HA TYR 61 -16.572 14.810 2.263 492 HB2 TYR 61 HB2 TYR 61 -17.581 16.691 2.834 493 HB3 TYR 61 HB3 TYR 61 -16.451 17.478 1.737 494 HD1 TYR 61 HD1 TYR 61 -17.244 18.234 -0.529 495 HD2 TYR 61 HD2 TYR 61 -19.949 16.459 2.303 496 HE1 TYR 61 HE1 TYR 61 -19.207 19.021 -1.862 497 HE2 TYR 61 HE2 TYR 61 -21.879 17.297 1.021 498 HH TYR 61 HH TYR 61 -22.578 18.433 -0.850 499 H ASP 62 H ASP 62 -17.172 15.360 -1.123 500 HA ASP 62 HA ASP 62 -19.794 14.338 -1.354 501 HB2 ASP 62 HB2 ASP 62 -18.558 15.433 -3.223 502 HB3 ASP 62 HB3 ASP 62 -17.656 13.919 -3.439 503 H ARG 63 H ARG 63 -16.838 12.483 -0.760 504 HA ARG 63 HA ARG 63 -18.665 10.078 -0.572 505 HB2 ARG 63 HB2 ARG 63 -16.119 10.330 -1.850 506 HB3 ARG 63 HB3 ARG 63 -15.903 9.201 -0.553 507 HG2 ARG 63 HG2 ARG 63 -17.333 7.613 -1.339 508 HG3 ARG 63 HG3 ARG 63 -18.419 8.724 -2.118 509 HD2 ARG 63 HD2 ARG 63 -15.704 7.858 -3.043 510 HD3 ARG 63 HD3 ARG 63 -17.238 7.363 -3.770 511 HE ARG 63 HE ARG 63 -15.766 9.437 -4.749 512 HH11 ARG 63 HH12 ARG 63 -19.092 9.574 -3.469 513 HH12 ARG 63 HH11 ARG 63 -19.291 11.143 -4.237 514 HH21 ARG 63 HH21 ARG 63 -16.327 11.308 -5.723 515 HH22 ARG 63 HH22 ARG 63 -17.929 12.010 -5.380 516 H PHE 64 H PHE 64 -16.236 11.826 1.247 517 HA PHE 64 HA PHE 64 -16.255 10.038 3.485 518 HB2 PHE 64 HB2 PHE 64 -14.576 11.682 3.329 519 HB3 PHE 64 HB3 PHE 64 -15.749 12.987 3.238 520 HD1 PHE 64 HD2 PHE 64 -14.700 10.163 5.565 521 HD2 PHE 64 HD1 PHE 64 -16.306 14.134 5.236 522 HE1 PHE 64 HE2 PHE 64 -14.716 10.361 8.036 523 HE2 PHE 64 HE1 PHE 64 -16.344 14.336 7.706 524 HZ PHE 64 HZ PHE 64 -15.532 12.447 9.119 525 H ARG 65 H ARG 65 -18.273 13.060 3.086 526 HA ARG 65 HA ARG 65 -19.648 12.734 5.595 527 HB2 ARG 65 HB2 ARG 65 -20.027 14.391 3.052 528 HB3 ARG 65 HB3 ARG 65 -21.046 14.592 4.393 529 HG2 ARG 65 HG2 ARG 65 -18.093 15.110 4.384 530 HG3 ARG 65 HG3 ARG 65 -19.356 16.339 4.393 531 HD2 ARG 65 HD2 ARG 65 -18.893 14.361 6.605 532 HD3 ARG 65 HD3 ARG 65 -18.234 15.985 6.592 533 HE ARG 65 HE ARG 65 -20.513 16.896 6.666 534 HH11 ARG 65 HH11 ARG 65 -20.315 13.536 7.712 535 HH12 ARG 65 HH12 ARG 65 -21.678 13.739 8.773 536 HH21 ARG 65 HH22 ARG 65 -22.082 17.079 8.068 537 HH22 ARG 65 HH21 ARG 65 -22.696 15.691 8.943 538 H PHE 66 H PHE 66 -20.327 11.964 2.397 539 HA PHE 66 HA PHE 66 -23.032 10.881 2.804 540 HB2 PHE 66 HB2 PHE 66 -21.205 10.926 0.396 541 HB3 PHE 66 HB3 PHE 66 -22.765 10.130 0.385 542 HD1 PHE 66 HD2 PHE 66 -24.885 11.429 0.769 543 HD2 PHE 66 HD1 PHE 66 -21.067 13.341 0.206 544 HE1 PHE 66 HE2 PHE 66 -26.036 13.549 0.167 545 HE2 PHE 66 HE1 PHE 66 -22.216 15.438 -0.463 546 HZ PHE 66 HZ PHE 66 -24.702 15.555 -0.458 547 H GLU 67 H GLU 67 -20.007 9.174 1.758 548 HA GLU 67 HA GLU 67 -21.527 6.628 1.946 549 HB2 GLU 67 HB2 GLU 67 -19.034 7.372 0.344 550 HB3 GLU 67 HB3 GLU 67 -19.791 5.798 0.376 551 HG2 GLU 67 HG2 GLU 67 -21.066 8.386 -0.615 552 HG3 GLU 67 HG3 GLU 67 -20.415 7.102 -1.621 553 H ASN 68 H ASN 68 -18.345 7.837 2.725 554 HA ASN 68 HA ASN 68 -17.682 5.373 4.240 555 HB2 ASN 68 HB2 ASN 68 -15.843 7.466 3.032 556 HB3 ASN 68 HB3 ASN 68 -15.323 6.012 3.871 557 HD21 ASN 68 HD21 ASN 68 -16.221 7.283 0.828 558 HD22 ASN 68 HD22 ASN 68 -16.326 5.738 -0.026 559 H1 GLY 1 H1 GLY 1 -15.977 9.708 30.456 560 H2 GLY 1 H2 GLY 1 -17.513 10.114 30.854 561 H3 GLY 1 H3 GLY 1 -16.254 10.911 31.534 562 HA2 GLY 1 HA2 GLY 1 -15.599 11.830 29.399 563 HA3 GLY 1 HA3 GLY 1 -16.981 10.987 28.674 564 H SER 2 H SER 2 -18.397 12.553 28.119 565 HA SER 2 HA SER 2 -19.752 14.364 28.171 566 HB2 SER 2 HB2 SER 2 -20.266 13.388 30.991 567 HB3 SER 2 HB3 SER 2 -21.357 14.366 29.988 568 HG SER 2 HG SER 2 -21.870 12.129 29.889 569 H HIS 3 H HIS 3 -17.207 15.329 28.530 570 HA HIS 3 HA HIS 3 -17.051 17.283 30.658 571 HB2 HIS 3 HB2 HIS 3 -15.135 16.241 29.308 572 HB3 HIS 3 HB3 HIS 3 -15.533 17.362 28.006 573 HD1 HIS 3 HD1 HIS 3 -14.997 20.041 28.621 574 HD2 HIS 3 HD2 HIS 3 -13.931 17.133 31.481 575 HE1 HIS 3 HE1 HIS 3 -13.470 21.202 30.293 576 H MET 4 H MET 4 -17.004 19.670 30.287 577 HA MET 4 HA MET 4 -19.168 20.689 28.576 578 HB2 MET 4 HB2 MET 4 -16.981 22.135 30.130 579 HB3 MET 4 HB3 MET 4 -18.315 22.913 29.269 580 HG2 MET 4 HG2 MET 4 -18.616 20.994 31.609 581 HG3 MET 4 HG3 MET 4 -18.722 22.749 31.690 582 HE1 MET 4 HE1 MET 4 -20.907 20.779 32.889 583 HE2 MET 4 HE2 MET 4 -21.003 22.553 32.987 584 HE3 MET 4 HE3 MET 4 -22.398 21.618 32.407 585 H ARG 5 H ARG 5 -18.935 20.761 26.435 586 HA ARG 5 HA ARG 5 -16.236 20.984 25.177 587 HB2 ARG 5 HB2 ARG 5 -18.073 19.187 24.677 588 HB3 ARG 5 HB3 ARG 5 -18.824 20.429 23.709 589 HG2 ARG 5 HG2 ARG 5 -16.686 20.617 22.376 590 HG3 ARG 5 HG3 ARG 5 -15.986 19.421 23.349 591 HD2 ARG 5 HD2 ARG 5 -16.524 18.342 21.392 592 HD3 ARG 5 HD3 ARG 5 -17.466 17.666 22.695 593 HE ARG 5 HE ARG 5 -18.999 19.721 21.368 594 HH11 ARG 5 HH11 ARG 5 -17.889 16.430 20.743 595 HH12 ARG 5 HH12 ARG 5 -19.373 16.008 19.933 596 HH21 ARG 5 HH21 ARG 5 -20.866 19.073 20.321 597 HH22 ARG 5 HH22 ARG 5 -20.976 17.473 19.658 598 H MET 6 H MET 6 -15.713 22.696 23.781 599 HA MET 6 HA MET 6 -17.825 24.753 23.519 600 HB2 MET 6 HB2 MET 6 -14.867 25.388 23.676 601 HB3 MET 6 HB3 MET 6 -16.217 26.504 23.823 602 HG2 MET 6 HG2 MET 6 -15.449 24.320 25.791 603 HG3 MET 6 HG3 MET 6 -15.072 26.031 25.962 604 HE1 MET 6 HE1 MET 6 -16.391 24.188 28.192 605 HE2 MET 6 HE2 MET 6 -15.972 25.899 28.433 606 HE3 MET 6 HE3 MET 6 -17.592 25.313 28.867 607 H SER 7 H SER 7 -18.242 23.340 21.670 608 HA SER 7 HA SER 7 -16.653 22.823 19.612 609 HB2 SER 7 HB2 SER 7 -19.593 23.520 19.472 610 HB3 SER 7 HB3 SER 7 -18.679 22.899 18.076 611 HG SER 7 HG SER 7 -19.742 21.287 19.474 612 H LEU 8 H LEU 8 -15.363 23.990 18.470 613 HA LEU 8 HA LEU 8 -14.283 25.483 17.347 614 HB2 LEU 8 HB2 LEU 8 -16.706 26.300 15.822 615 HB3 LEU 8 HB3 LEU 8 -15.082 25.986 15.297 616 HG LEU 8 HG LEU 8 -16.928 23.747 16.268 617 HD11 LEU 8 HD11 LEU 8 -17.159 23.140 13.989 618 HD12 LEU 8 HD12 LEU 8 -16.255 24.594 13.464 619 HD13 LEU 8 HD13 LEU 8 -17.832 24.751 14.300 620 HD21 LEU 8 HD21 LEU 8 -14.546 23.261 16.498 621 HD22 LEU 8 HD22 LEU 8 -14.255 23.931 14.865 622 HD23 LEU 8 HD23 LEU 8 -15.166 22.401 15.075 623 H ILE 9 H ILE 9 -14.012 26.637 19.429 624 HA ILE 9 HA ILE 9 -15.054 29.249 19.802 625 HB ILE 9 HB ILE 9 -12.189 28.479 20.405 626 HG12 ILE 9 HG12 ILE 9 -14.588 27.389 21.906 627 HG13 ILE 9 HG13 ILE 9 -13.392 26.466 21.054 628 HG21 ILE 9 HG21 ILE 9 -14.265 30.008 22.047 629 HG22 ILE 9 HG22 ILE 9 -12.525 29.882 22.388 630 HG23 ILE 9 HG23 ILE 9 -13.070 30.779 20.982 631 HD11 ILE 9 HD11 ILE 9 -12.766 26.233 23.265 632 HD12 ILE 9 HD12 ILE 9 -11.634 27.416 22.591 633 HD13 ILE 9 HD13 ILE 9 -12.977 27.956 23.634 634 H GLY 10 H GLY 10 -12.656 27.996 17.609 635 HA2 GLY 10 HA2 GLY 10 -11.819 29.080 15.652 636 HA3 GLY 10 HA3 GLY 10 -12.105 30.649 16.367 637 H GLU 11 H GLU 11 -10.620 28.768 18.729 638 HA GLU 11 HA GLU 11 -7.845 28.896 17.667 639 HB2 GLU 11 HB2 GLU 11 -8.567 29.948 20.432 640 HB3 GLU 11 HB3 GLU 11 -6.946 29.738 19.775 641 HG2 GLU 11 HG2 GLU 11 -7.462 31.397 17.976 642 HG3 GLU 11 HG3 GLU 11 -9.040 31.682 18.719 643 H ARG 12 H ARG 12 -9.685 28.037 20.612 644 HA ARG 12 HA ARG 12 -9.855 26.167 21.870 645 HB2 ARG 12 HB2 ARG 12 -9.275 24.404 19.541 646 HB3 ARG 12 HB3 ARG 12 -10.264 24.176 20.954 647 HG2 ARG 12 HG2 ARG 12 -12.024 24.626 19.639 648 HG3 ARG 12 HG3 ARG 12 -11.593 26.298 19.867 649 HD2 ARG 12 HD2 ARG 12 -11.892 25.898 17.493 650 HD3 ARG 12 HD3 ARG 12 -10.179 26.178 17.764 651 HE ARG 12 HE ARG 12 -11.509 23.554 17.197 652 HH11 ARG 12 HH12 ARG 12 -8.474 25.365 17.216 653 HH12 ARG 12 HH11 ARG 12 -7.773 24.255 16.104 654 HH21 ARG 12 HH22 ARG 12 -10.365 22.070 15.993 655 HH22 ARG 12 HH21 ARG 12 -8.683 22.354 15.660 656 H PHE 13 H PHE 13 -7.406 27.332 22.076 657 HA PHE 13 HA PHE 13 -5.368 25.384 21.481 658 HB2 PHE 13 HB2 PHE 13 -5.588 28.048 21.112 659 HB3 PHE 13 HB3 PHE 13 -4.713 28.035 22.630 660 HD1 PHE 13 HD1 PHE 13 -4.841 26.540 19.204 661 HD2 PHE 13 HD2 PHE 13 -2.307 27.660 22.512 662 HE1 PHE 13 HE1 PHE 13 -2.814 25.996 17.841 663 HE2 PHE 13 HE2 PHE 13 -0.287 27.112 21.154 664 HZ PHE 13 HZ PHE 13 -0.545 26.278 18.822 665 H THR 14 H THR 14 -5.128 23.857 22.905 666 HA THR 14 HA THR 14 -4.451 22.671 24.608 667 HB THR 14 HB THR 14 -2.332 23.388 24.206 668 HG1 THR 14 HG1 THR 14 -1.406 23.283 26.236 669 HG21 THR 14 HG21 THR 14 -2.777 25.903 25.859 670 HG22 THR 14 HG22 THR 14 -2.558 25.804 24.096 671 HG23 THR 14 HG23 THR 14 -1.234 25.355 25.173 672 H GLU 15 H GLU 15 -4.575 25.751 26.474 673 HA GLU 15 HA GLU 15 -6.099 24.601 28.666 674 HB2 GLU 15 HB2 GLU 15 -5.632 27.447 27.672 675 HB3 GLU 15 HB3 GLU 15 -6.511 27.063 29.155 676 HG2 GLU 15 HG2 GLU 15 -3.596 26.332 28.613 677 HG3 GLU 15 HG3 GLU 15 -4.141 27.725 29.534 678 H GLU 16 H GLU 16 -6.911 26.090 25.581 679 HA GLU 16 HA GLU 16 -9.838 25.978 26.117 680 HB2 GLU 16 HB2 GLU 16 -8.061 27.360 24.121 681 HB3 GLU 16 HB3 GLU 16 -9.773 27.138 23.773 682 HG2 GLU 16 HG2 GLU 16 -10.403 28.362 25.770 683 HG3 GLU 16 HG3 GLU 16 -8.713 28.452 26.296 684 H GLU 17 H GLU 17 -7.630 23.817 25.116 685 HA GLU 17 HA GLU 17 -8.849 22.653 22.829 686 HB2 GLU 17 HB2 GLU 17 -6.504 22.338 23.695 687 HB3 GLU 17 HB3 GLU 17 -7.154 21.205 24.891 688 HG2 GLU 17 HG2 GLU 17 -7.914 19.728 23.044 689 HG3 GLU 17 HG3 GLU 17 -7.407 20.951 21.874 690 H GLN 18 H GLN 18 -10.092 22.544 25.984 691 HA GLN 18 HA GLN 18 -11.064 20.120 26.514 692 HB2 GLN 18 HB2 GLN 18 -12.900 20.813 27.664 693 HB3 GLN 18 HB3 GLN 18 -11.637 21.993 27.895 694 HG2 GLN 18 HG2 GLN 18 -14.093 22.252 26.103 695 HG3 GLN 18 HG3 GLN 18 -13.815 22.973 27.713 696 HE21 GLN 18 HE22 GLN 18 -13.507 23.575 24.364 697 HE22 GLN 18 HE21 GLN 18 -12.181 24.734 24.437 698 H LYS 19 H LYS 19 -12.386 22.052 23.933 699 HA LYS 19 HA LYS 19 -14.472 20.484 22.931 700 HB2 LYS 19 HB2 LYS 19 -14.119 22.611 22.062 701 HB3 LYS 19 HB3 LYS 19 -12.447 22.346 21.838 702 HG2 LYS 19 HG2 LYS 19 -13.867 22.602 19.823 703 HG3 LYS 19 HG3 LYS 19 -12.620 21.343 19.898 704 HD2 LYS 19 HD2 LYS 19 -13.893 19.718 19.520 705 HD3 LYS 19 HD3 LYS 19 -15.188 20.178 20.573 706 HE2 LYS 19 HE2 LYS 19 -15.324 22.038 18.431 707 HE3 LYS 19 HE3 LYS 19 -14.644 20.658 17.609 708 HZ1 LYS 19 HZ1 LYS 19 -16.649 19.394 18.122 709 HZ2 LYS 19 HZ2 LYS 19 -17.122 20.820 17.534 710 HZ3 LYS 19 HZ3 LYS 19 -17.244 20.580 19.121 711 H LEU 20 H LEU 20 -11.134 20.277 21.903 712 HA LEU 20 HA LEU 20 -11.515 18.010 20.143 713 HB2 LEU 20 HB2 LEU 20 -8.957 19.383 21.122 714 HB3 LEU 20 HB3 LEU 20 -9.072 18.346 19.762 715 HG LEU 20 HG LEU 20 -8.882 20.318 18.772 716 HD11 LEU 20 HD11 LEU 20 -11.855 19.634 18.793 717 HD12 LEU 20 HD12 LEU 20 -10.603 19.173 17.666 718 HD13 LEU 20 HD13 LEU 20 -11.137 20.866 17.757 719 HD21 LEU 20 HD21 LEU 20 -10.129 22.344 19.396 720 HD22 LEU 20 HD22 LEU 20 -8.974 21.765 20.608 721 HD23 LEU 20 HD23 LEU 20 -10.686 21.559 20.875 722 H LEU 21 H LEU 21 -10.297 18.667 23.275 723 HA LEU 21 HA LEU 21 -9.223 16.246 24.330 724 HB2 LEU 21 HB2 LEU 21 -8.985 18.309 25.472 725 HB3 LEU 21 HB3 LEU 21 -10.669 18.656 25.266 726 HG LEU 21 HG LEU 21 -10.050 18.472 27.566 727 HD11 LEU 21 HD11 LEU 21 -12.416 17.885 27.035 728 HD12 LEU 21 HD12 LEU 21 -11.770 17.210 28.522 729 HD13 LEU 21 HD13 LEU 21 -11.954 16.168 27.116 730 HD21 LEU 21 HD21 LEU 21 -8.340 16.681 27.271 731 HD22 LEU 21 HD22 LEU 21 -9.677 15.503 27.047 732 HD23 LEU 21 HD23 LEU 21 -9.479 16.372 28.596 733 H LEU 22 H LEU 22 -12.746 17.457 24.179 734 HA LEU 22 HA LEU 22 -13.425 14.990 25.611 735 HB2 LEU 22 HB2 LEU 22 -14.830 16.991 25.862 736 HB3 LEU 22 HB3 LEU 22 -15.222 16.974 24.142 737 HG LEU 22 HG LEU 22 -16.396 14.812 24.383 738 HD11 LEU 22 HD11 LEU 22 -15.646 15.014 27.331 739 HD12 LEU 22 HD12 LEU 22 -15.166 13.742 26.204 740 HD13 LEU 22 HD13 LEU 22 -16.859 13.891 26.654 741 HD21 LEU 22 HD21 LEU 22 -18.272 15.576 25.815 742 HD22 LEU 22 HD22 LEU 22 -17.704 16.821 24.704 743 HD23 LEU 22 HD23 LEU 22 -17.243 16.900 26.409 744 H ASN 23 H ASN 23 -13.532 16.191 22.377 745 HA ASN 23 HA ASN 23 -14.686 14.038 20.955 746 HB2 ASN 23 HB2 ASN 23 -12.899 16.430 20.360 747 HB3 ASN 23 HB3 ASN 23 -13.377 15.398 19.105 748 HD21 ASN 23 HD21 ASN 23 -14.125 18.005 19.128 749 HD22 ASN 23 HD22 ASN 23 -15.847 18.110 19.495 750 H ILE 24 H ILE 24 -11.396 14.187 22.173 751 HA ILE 24 HA ILE 24 -10.848 11.634 20.698 752 HB ILE 24 HB ILE 24 -8.606 11.760 21.467 753 HG12 ILE 24 HG12 ILE 24 -9.459 14.178 23.061 754 HG13 ILE 24 HG13 ILE 24 -8.794 12.682 23.646 755 HG21 ILE 24 HG21 ILE 24 -7.831 13.585 20.094 756 HG22 ILE 24 HG22 ILE 24 -9.279 12.883 19.369 757 HG23 ILE 24 HG23 ILE 24 -9.386 14.422 20.237 758 HD11 ILE 24 HD11 ILE 24 -7.297 14.814 22.074 759 HD12 ILE 24 HD12 ILE 24 -7.091 14.376 23.777 760 HD13 ILE 24 HD13 ILE 24 -6.618 13.223 22.511 761 H LEU 25 H LEU 25 -11.613 12.835 23.913 762 HA LEU 25 HA LEU 25 -10.795 10.508 25.336 763 HB2 LEU 25 HB2 LEU 25 -10.967 12.749 26.275 764 HB3 LEU 25 HB3 LEU 25 -12.708 12.770 25.991 765 HG LEU 25 HG LEU 25 -13.006 10.954 27.666 766 HD11 LEU 25 HD11 LEU 25 -10.795 9.860 27.551 767 HD12 LEU 25 HD12 LEU 25 -11.122 10.416 29.195 768 HD13 LEU 25 HD13 LEU 25 -10.016 11.341 28.154 769 HD21 LEU 25 HD21 LEU 25 -11.452 13.377 28.657 770 HD22 LEU 25 HD22 LEU 25 -12.529 12.352 29.633 771 HD23 LEU 25 HD23 LEU 25 -13.193 13.324 28.307 772 H ILE 26 H ILE 26 -13.848 11.330 23.730 773 HA ILE 26 HA ILE 26 -15.343 9.109 24.878 774 HB ILE 26 HB ILE 26 -17.126 9.697 23.384 775 HG12 ILE 26 HG12 ILE 26 -15.444 11.911 22.147 776 HG13 ILE 26 HG13 ILE 26 -15.576 10.309 21.417 777 HG21 ILE 26 HG21 ILE 26 -17.610 11.919 24.242 778 HG22 ILE 26 HG22 ILE 26 -16.836 10.927 25.485 779 HG23 ILE 26 HG23 ILE 26 -15.902 12.169 24.636 780 HD11 ILE 26 HD11 ILE 26 -17.903 12.186 21.959 781 HD12 ILE 26 HD12 ILE 26 -17.202 11.761 20.387 782 HD13 ILE 26 HD13 ILE 26 -18.045 10.520 21.341 783 H ASN 27 H ASN 27 -16.675 7.822 23.088 784 HA ASN 27 HA ASN 27 -15.010 5.656 22.488 785 HB2 ASN 27 HB2 ASN 27 -17.034 4.687 21.497 786 HB3 ASN 27 HB3 ASN 27 -17.369 5.437 23.054 787 HD21 ASN 27 HD21 ASN 27 -18.881 7.240 23.089 788 HD22 ASN 27 HD22 ASN 27 -19.713 7.721 21.628 789 H HIS 28 H HIS 28 -15.810 8.288 20.311 790 HA HIS 28 HA HIS 28 -13.994 7.107 18.295 791 HB2 HIS 28 HB2 HIS 28 -15.437 7.600 16.442 792 HB3 HIS 28 HB3 HIS 28 -16.306 6.558 17.561 793 HD1 HIS 28 HD1 HIS 28 -18.403 7.705 18.862 794 HD2 HIS 28 HD2 HIS 28 -16.388 10.095 16.047 795 HE1 HIS 28 HE1 HIS 28 -19.897 9.742 18.446 796 H GLU 29 H GLU 29 -12.958 8.599 16.888 797 HA GLU 29 HA GLU 29 -12.333 11.124 18.123 798 HB2 GLU 29 HB2 GLU 29 -11.550 9.954 15.432 799 HB3 GLU 29 HB3 GLU 29 -10.978 11.495 16.057 800 HG2 GLU 29 HG2 GLU 29 -9.286 9.875 16.500 801 HG3 GLU 29 HG3 GLU 29 -9.995 10.393 18.026 802 H TYR 30 H TYR 30 -13.205 13.062 17.874 803 HA TYR 30 HA TYR 30 -14.961 13.630 15.520 804 HB2 TYR 30 HB2 TYR 30 -15.944 13.281 17.917 805 HB3 TYR 30 HB3 TYR 30 -15.392 14.918 18.180 806 HD1 TYR 30 HD2 TYR 30 -17.242 12.996 15.510 807 HD2 TYR 30 HD1 TYR 30 -17.077 16.506 18.010 808 HE1 TYR 30 HE2 TYR 30 -19.445 13.734 14.629 809 HE2 TYR 30 HE1 TYR 30 -19.271 17.248 17.134 810 HH TYR 30 HH TYR 30 -21.111 15.286 14.741 811 H ALA 31 H ALA 31 -14.826 16.610 16.943 812 HA ALA 31 HA ALA 31 -14.652 18.388 15.731 813 HB1 ALA 31 HB1 ALA 31 -11.731 17.617 15.867 814 HB2 ALA 31 HB2 ALA 31 -12.375 19.249 15.572 815 HB3 ALA 31 HB3 ALA 31 -12.726 18.418 17.104 816 H ILE 32 H ILE 32 -12.790 15.962 14.013 817 HA ILE 32 HA ILE 32 -12.510 17.429 11.612 818 HB ILE 32 HB ILE 32 -11.894 14.638 12.545 819 HG12 ILE 32 HG12 ILE 32 -9.588 15.322 12.062 820 HG13 ILE 32 HG13 ILE 32 -10.134 16.851 11.370 821 HG21 ILE 32 HG21 ILE 32 -10.751 14.163 10.442 822 HG22 ILE 32 HG22 ILE 32 -12.509 14.257 10.219 823 HG23 ILE 32 HG23 ILE 32 -11.473 15.622 9.713 824 HD11 ILE 32 HD11 ILE 32 -10.534 16.024 14.265 825 HD12 ILE 32 HD12 ILE 32 -9.211 17.034 13.687 826 HD13 ILE 32 HD13 ILE 32 -10.859 17.635 13.549 827 H GLU 33 H GLU 33 -14.933 14.972 12.398 828 HA GLU 33 HA GLU 33 -16.124 14.831 9.821 829 HB2 GLU 33 HB2 GLU 33 -16.792 13.439 11.790 830 HB3 GLU 33 HB3 GLU 33 -17.614 14.848 12.483 831 HG2 GLU 33 HG2 GLU 33 -19.094 14.954 10.481 832 HG3 GLU 33 HG3 GLU 33 -18.252 13.572 9.780 833 H LEU 34 H LEU 34 -16.506 17.249 12.399 834 HA LEU 34 HA LEU 34 -18.299 19.003 11.029 835 HB2 LEU 34 HB2 LEU 34 -16.182 20.052 12.915 836 HB3 LEU 34 HB3 LEU 34 -17.780 20.664 12.592 837 HG LEU 34 HG LEU 34 -17.160 18.103 14.131 838 HD11 LEU 34 HD11 LEU 34 -16.546 20.150 15.319 839 HD12 LEU 34 HD12 LEU 34 -17.984 19.368 16.048 840 HD13 LEU 34 HD13 LEU 34 -18.175 20.822 15.037 841 HD21 LEU 34 HD21 LEU 34 -19.556 18.204 14.757 842 HD22 LEU 34 HD22 LEU 34 -19.327 17.878 13.037 843 HD23 LEU 34 HD23 LEU 34 -19.807 19.509 13.578 844 H LEU 35 H LEU 35 -14.675 18.950 11.135 845 HA LEU 35 HA LEU 35 -14.098 21.152 9.542 846 HB2 LEU 35 HB2 LEU 35 -12.504 19.457 10.607 847 HB3 LEU 35 HB3 LEU 35 -12.727 18.431 9.216 848 HG LEU 35 HG LEU 35 -11.508 21.208 9.085 849 HD11 LEU 35 HD11 LEU 35 -9.399 20.030 8.837 850 HD12 LEU 35 HD12 LEU 35 -10.221 18.449 8.889 851 HD13 LEU 35 HD13 LEU 35 -10.154 19.472 10.333 852 HD21 LEU 35 HD21 LEU 35 -11.925 19.043 7.026 853 HD22 LEU 35 HD22 LEU 35 -10.654 20.282 6.864 854 HD23 LEU 35 HD23 LEU 35 -12.338 20.769 6.918 855 H SER 36 H SER 36 -14.694 17.802 8.140 856 HA SER 36 HA SER 36 -14.684 18.709 5.448 857 HB2 SER 36 HB2 SER 36 -14.405 16.373 6.129 858 HB3 SER 36 HB3 SER 36 -16.082 16.332 6.693 859 HG SER 36 HG SER 36 -15.184 16.784 4.021 860 H SER 37 H SER 37 -17.406 18.353 7.747 861 HA SER 37 HA SER 37 -19.472 18.884 5.909 862 HB2 SER 37 HB2 SER 37 -19.467 18.139 8.466 863 HB3 SER 37 HB3 SER 37 -19.840 19.848 8.723 864 HG SER 37 HG SER 37 -21.647 19.610 7.401 865 H GLU 38 H GLU 38 -17.500 20.918 7.893 866 HA GLU 38 HA GLU 38 -18.745 23.528 7.533 867 HB2 GLU 38 HB2 GLU 38 -16.111 22.535 8.670 868 HB3 GLU 38 HB3 GLU 38 -16.314 24.225 8.429 869 HG2 GLU 38 HG2 GLU 38 -18.230 22.524 10.086 870 HG3 GLU 38 HG3 GLU 38 -16.862 23.415 10.741 871 H ILE 39 H ILE 39 -15.729 22.095 6.119 872 HA ILE 39 HA ILE 39 -15.152 24.417 4.569 873 HB ILE 39 HB ILE 39 -13.742 22.957 3.186 874 HG12 ILE 39 HG12 ILE 39 -13.349 20.636 4.624 875 HG13 ILE 39 HG13 ILE 39 -15.092 20.773 4.606 876 HG21 ILE 39 HG21 ILE 39 -12.925 24.111 5.183 877 HG22 ILE 39 HG22 ILE 39 -13.438 22.752 6.205 878 HG23 ILE 39 HG23 ILE 39 -12.116 22.545 5.033 879 HD11 ILE 39 HD11 ILE 39 -14.324 19.425 2.723 880 HD12 ILE 39 HD12 ILE 39 -15.005 20.932 2.083 881 HD13 ILE 39 HD13 ILE 39 -13.245 20.729 2.186 882 H ASN 40 H ASN 40 -16.955 21.426 3.796 883 HA ASN 40 HA ASN 40 -17.524 22.411 1.125 884 HB2 ASN 40 HB2 ASN 40 -18.646 20.548 0.659 885 HB3 ASN 40 HB3 ASN 40 -17.603 19.957 1.948 886 HD21 ASN 40 HD21 ASN 40 -18.587 19.274 3.855 887 HD22 ASN 40 HD22 ASN 40 -20.339 19.188 4.042 888 H ASP 41 H ASP 41 -19.266 22.998 4.189 889 HA ASP 41 HA ASP 41 -21.658 23.950 2.853 890 HB2 ASP 41 HB2 ASP 41 -21.426 23.176 5.269 891 HB3 ASP 41 HB3 ASP 41 -20.676 24.736 5.617 892 H ILE 42 H ILE 42 -18.547 25.359 3.640 893 HA ILE 42 HA ILE 42 -19.411 28.090 2.836 894 HB ILE 42 HB ILE 42 -16.843 26.882 3.847 895 HG12 ILE 42 HG12 ILE 42 -17.087 28.622 5.546 896 HG13 ILE 42 HG13 ILE 42 -18.470 29.324 4.703 897 HG21 ILE 42 HG21 ILE 42 -15.759 29.113 3.632 898 HG22 ILE 42 HG22 ILE 42 -16.046 28.358 2.067 899 HG23 ILE 42 HG23 ILE 42 -17.116 29.666 2.627 900 HD11 ILE 42 HD11 ILE 42 -18.416 26.569 5.968 901 HD12 ILE 42 HD12 ILE 42 -19.156 28.012 6.692 902 HD13 ILE 42 HD13 ILE 42 -19.822 27.322 5.224 903 H GLU 43 H GLU 43 -17.475 25.487 1.461 904 HA GLU 43 HA GLU 43 -16.705 26.832 -0.935 905 HB2 GLU 43 HB2 GLU 43 -15.777 24.672 0.040 906 HB3 GLU 43 HB3 GLU 43 -17.136 23.829 -0.650 907 HG2 GLU 43 HG2 GLU 43 -15.228 23.616 -2.128 908 HG3 GLU 43 HG3 GLU 43 -16.481 24.537 -2.925 909 H THR 44 H THR 44 -19.362 24.512 -0.479 910 HA THR 44 HA THR 44 -20.528 25.316 -3.129 911 HB THR 44 HB THR 44 -19.499 23.167 -3.343 912 HG1 THR 44 HG1 THR 44 -21.290 22.088 -4.117 913 HG21 THR 44 HG21 THR 44 -21.306 22.220 -1.080 914 HG22 THR 44 HG22 THR 44 -19.527 22.218 -1.125 915 HG23 THR 44 HG23 THR 44 -20.433 21.157 -2.201 916 H GLY 45 H GLY 45 -21.343 24.280 0.209 917 HA2 GLY 45 HA2 GLY 45 -24.139 24.766 0.049 918 HA3 GLY 45 HA3 GLY 45 -23.151 24.950 1.501 919 H THR 46 H THR 46 -21.517 27.065 0.048 920 HA THR 46 HA THR 46 -21.349 29.255 -0.214 921 HB THR 46 HB THR 46 -24.144 29.436 -1.341 922 HG1 THR 46 HG1 THR 46 -23.088 27.599 -2.230 923 HG21 THR 46 HG21 THR 46 -22.994 30.957 -2.935 924 HG22 THR 46 HG22 THR 46 -21.451 30.671 -2.097 925 HG23 THR 46 HG23 THR 46 -22.771 31.529 -1.277 926 H LYS 47 H LYS 47 -21.917 28.547 2.335 927 HA LYS 47 HA LYS 47 -23.530 30.549 3.685 928 HB2 LYS 47 HB2 LYS 47 -20.897 29.233 4.475 929 HB3 LYS 47 HB3 LYS 47 -21.865 30.224 5.539 930 HG2 LYS 47 HG2 LYS 47 -22.610 27.513 4.402 931 HG3 LYS 47 HG3 LYS 47 -22.209 27.892 6.062 932 HD2 LYS 47 HD2 LYS 47 -24.703 28.822 4.567 933 HD3 LYS 47 HD3 LYS 47 -24.612 27.531 5.762 934 HE2 LYS 47 HE2 LYS 47 -23.868 29.163 7.488 935 HE3 LYS 47 HE3 LYS 47 -24.010 30.472 6.308 936 HZ1 LYS 47 HZ1 LYS 47 -26.007 30.301 7.678 937 HZ2 LYS 47 HZ2 LYS 47 -26.255 28.754 7.226 938 HZ3 LYS 47 HZ3 LYS 47 -26.393 29.958 6.130 939 H ASN 48 H ASN 48 -22.921 32.597 4.518 940 HA ASN 48 HA ASN 48 -20.492 33.883 3.405 941 HB2 ASN 48 HB2 ASN 48 -22.336 34.242 1.767 942 HB3 ASN 48 HB3 ASN 48 -23.328 34.959 3.041 943 HD21 ASN 48 HD21 ASN 48 -20.083 35.331 1.473 944 HD22 ASN 48 HD22 ASN 48 -20.084 37.081 1.622 945 H VAL 49 H VAL 49 -19.456 34.829 4.982 946 HA VAL 49 HA VAL 49 -20.614 36.608 6.932 947 HB VAL 49 HB VAL 49 -21.205 34.539 8.048 948 HG11 VAL 49 HG11 VAL 49 -18.283 33.764 7.953 949 HG12 VAL 49 HG12 VAL 49 -19.569 32.899 8.827 950 HG13 VAL 49 HG13 VAL 49 -19.602 32.970 7.061 951 HG21 VAL 49 HG21 VAL 49 -20.377 36.411 9.493 952 HG22 VAL 49 HG22 VAL 49 -20.227 34.792 10.202 953 HG23 VAL 49 HG23 VAL 49 -18.793 35.590 9.553 954 H ASP 50 H ASP 50 -18.839 37.406 8.397 955 HA ASP 50 HA ASP 50 -16.345 38.057 7.065 956 HB2 ASP 50 HB2 ASP 50 -17.735 39.461 8.697 957 HB3 ASP 50 HB3 ASP 50 -17.166 38.391 9.975 958 H GLY 51 H GLY 51 -14.317 37.763 8.853 959 HA2 GLY 51 HA2 GLY 51 -13.236 35.330 8.491 960 HA3 GLY 51 HA3 GLY 51 -12.785 36.380 9.822 961 H THR 52 H THR 52 -15.841 35.577 10.672 962 HA THR 52 HA THR 52 -15.330 33.833 12.789 963 HB THR 52 HB THR 52 -17.816 34.038 11.033 964 HG1 THR 52 HG1 THR 52 -18.435 35.590 12.580 965 HG21 THR 52 HG21 THR 52 -19.035 33.334 12.996 966 HG22 THR 52 HG22 THR 52 -17.533 33.317 13.961 967 HG23 THR 52 HG23 THR 52 -17.780 32.124 12.658 968 H THR 53 H THR 53 -16.912 32.733 9.671 969 HA THR 53 HA THR 53 -16.451 30.020 10.329 970 HB THR 53 HB THR 53 -18.237 30.922 8.839 971 HG1 THR 53 HG1 THR 53 -17.837 28.749 8.940 972 HG21 THR 53 HG21 THR 53 -17.880 31.249 6.497 973 HG22 THR 53 HG22 THR 53 -16.176 30.782 6.598 974 HG23 THR 53 HG23 THR 53 -16.723 32.313 7.316 975 H TYR 54 H TYR 54 -14.561 32.233 8.332 976 HA TYR 54 HA TYR 54 -12.619 30.516 7.200 977 HB2 TYR 54 HB2 TYR 54 -12.363 33.287 8.443 978 HB3 TYR 54 HB3 TYR 54 -11.075 32.496 7.575 979 HD1 TYR 54 HD2 TYR 54 -14.501 33.954 7.133 980 HD2 TYR 54 HD1 TYR 54 -11.000 32.332 5.201 981 HE1 TYR 54 HE2 TYR 54 -15.343 34.763 4.938 982 HE2 TYR 54 HE1 TYR 54 -11.846 33.138 3.000 983 HH TYR 54 HH TYR 54 -13.524 34.240 1.890 984 H LYS 55 H LYS 55 -12.462 32.260 10.381 985 HA LYS 55 HA LYS 55 -10.179 31.017 11.242 986 HB2 LYS 55 HB2 LYS 55 -11.076 33.187 11.956 987 HB3 LYS 55 HB3 LYS 55 -12.379 32.412 12.779 988 HG2 LYS 55 HG2 LYS 55 -10.642 32.556 14.535 989 HG3 LYS 55 HG3 LYS 55 -10.258 31.000 13.877 990 HD2 LYS 55 HD2 LYS 55 -8.908 32.408 12.059 991 HD3 LYS 55 HD3 LYS 55 -8.937 33.656 13.299 992 HE2 LYS 55 HE2 LYS 55 -7.982 32.036 14.965 993 HE3 LYS 55 HE3 LYS 55 -7.872 30.820 13.690 994 HZ1 LYS 55 HZ1 LYS 55 -6.444 33.432 13.688 995 HZ2 LYS 55 HZ2 LYS 55 -6.340 32.318 12.497 996 HZ3 LYS 55 HZ3 LYS 55 -5.757 31.984 13.986 997 H LYS 56 H LYS 56 -13.570 30.054 11.973 998 HA LYS 56 HA LYS 56 -12.990 27.712 13.540 999 HB2 LYS 56 HB2 LYS 56 -15.280 28.428 11.745 1000 HB3 LYS 56 HB3 LYS 56 -15.092 26.811 12.429 1001 HG2 LYS 56 HG2 LYS 56 -16.249 27.709 14.132 1002 HG3 LYS 56 HG3 LYS 56 -14.643 28.094 14.706 1003 HD2 LYS 56 HD2 LYS 56 -14.755 30.381 13.928 1004 HD3 LYS 56 HD3 LYS 56 -16.400 30.141 13.278 1005 HE2 LYS 56 HE2 LYS 56 -17.130 29.479 15.595 1006 HE3 LYS 56 HE3 LYS 56 -15.476 29.728 16.159 1007 HZ1 LYS 56 HZ1 LYS 56 -15.692 32.087 15.573 1008 HZ2 LYS 56 HZ2 LYS 56 -16.788 31.634 16.691 1009 HZ3 LYS 56 HZ3 LYS 56 -17.268 31.851 15.152 1010 H LEU 57 H LEU 57 -13.072 27.920 9.903 1011 HA LEU 57 HA LEU 57 -12.352 25.091 9.866 1012 HB2 LEU 57 HB2 LEU 57 -12.700 25.034 7.710 1013 HB3 LEU 57 HB3 LEU 57 -13.999 25.989 8.390 1014 HG LEU 57 HG LEU 57 -12.644 28.076 7.556 1015 HD11 LEU 57 HD11 LEU 57 -11.464 25.908 5.768 1016 HD12 LEU 57 HD12 LEU 57 -10.567 27.042 6.798 1017 HD13 LEU 57 HD13 LEU 57 -11.443 27.643 5.402 1018 HD21 LEU 57 HD21 LEU 57 -14.826 27.383 6.682 1019 HD22 LEU 57 HD22 LEU 57 -14.038 26.218 5.596 1020 HD23 LEU 57 HD23 LEU 57 -13.782 27.963 5.381 1021 H VAL 58 H VAL 58 -10.452 28.021 9.630 1022 HA VAL 58 HA VAL 58 -8.086 26.470 8.850 1023 HB VAL 58 HB VAL 58 -8.574 28.810 8.109 1024 HG11 VAL 58 HG11 VAL 58 -8.166 30.686 9.442 1025 HG12 VAL 58 HG12 VAL 58 -9.068 29.592 10.491 1026 HG13 VAL 58 HG13 VAL 58 -7.327 29.744 10.712 1027 HG21 VAL 58 HG21 VAL 58 -6.253 29.492 8.046 1028 HG22 VAL 58 HG22 VAL 58 -5.855 28.387 9.376 1029 HG23 VAL 58 HG23 VAL 58 -6.373 27.741 7.795 1030 H THR 59 H THR 59 -9.610 27.371 11.836 1031 HA THR 59 HA THR 59 -7.249 26.831 13.494 1032 HB THR 59 HB THR 59 -9.172 28.277 14.238 1033 HG1 THR 59 HG1 THR 59 -7.624 27.630 15.672 1034 HG21 THR 59 HG21 THR 59 -10.539 25.577 14.558 1035 HG22 THR 59 HG22 THR 59 -11.066 27.071 13.836 1036 HG23 THR 59 HG23 THR 59 -10.918 26.992 15.576 1037 H LEU 60 H LEU 60 -10.016 25.034 12.276 1038 HA LEU 60 HA LEU 60 -9.839 22.537 13.462 1039 HB2 LEU 60 HB2 LEU 60 -10.629 23.465 10.784 1040 HB3 LEU 60 HB3 LEU 60 -10.033 21.822 10.805 1041 HG LEU 60 HG LEU 60 -12.380 21.815 10.997 1042 HD11 LEU 60 HD11 LEU 60 -12.816 20.420 12.762 1043 HD12 LEU 60 HD12 LEU 60 -11.535 21.102 13.798 1044 HD13 LEU 60 HD13 LEU 60 -11.111 20.114 12.378 1045 HD21 LEU 60 HD21 LEU 60 -12.081 23.643 13.334 1046 HD22 LEU 60 HD22 LEU 60 -13.567 22.688 12.999 1047 HD23 LEU 60 HD23 LEU 60 -12.988 23.845 11.808 1048 H TYR 61 H TYR 61 -7.910 23.439 10.615 1049 HA TYR 61 HA TYR 61 -6.105 21.150 10.930 1050 HB2 TYR 61 HB2 TYR 61 -5.306 21.550 8.911 1051 HB3 TYR 61 HB3 TYR 61 -6.588 22.762 8.770 1052 HD1 TYR 61 HD1 TYR 61 -6.012 25.198 9.033 1053 HD2 TYR 61 HD2 TYR 61 -2.971 22.163 9.115 1054 HE1 TYR 61 HE1 TYR 61 -4.237 26.946 8.884 1055 HE2 TYR 61 HE2 TYR 61 -1.217 23.889 8.905 1056 HH TYR 61 HH TYR 61 -1.988 27.385 8.808 1057 H ASP 62 H ASP 62 -5.919 24.500 11.844 1058 HA ASP 62 HA ASP 62 -3.255 24.666 12.728 1059 HB2 ASP 62 HB2 ASP 62 -4.892 26.595 12.620 1060 HB3 ASP 62 HB3 ASP 62 -5.484 26.048 14.205 1061 H ARG 63 H ARG 63 -5.860 22.875 14.314 1062 HA ARG 63 HA ARG 63 -3.606 21.885 16.052 1063 HB2 ARG 63 HB2 ARG 63 -6.360 22.552 16.956 1064 HB3 ARG 63 HB3 ARG 63 -5.627 21.128 17.681 1065 HG2 ARG 63 HG2 ARG 63 -3.488 22.485 18.058 1066 HG3 ARG 63 HG3 ARG 63 -4.454 23.902 17.751 1067 HD2 ARG 63 HD2 ARG 63 -5.948 23.223 19.625 1068 HD3 ARG 63 HD3 ARG 63 -4.981 21.776 19.870 1069 HE ARG 63 HE ARG 63 -3.873 24.550 20.145 1070 HH11 ARG 63 HH11 ARG 63 -3.733 21.229 21.397 1071 HH12 ARG 63 HH12 ARG 63 -2.004 21.431 21.687 1072 HH21 ARG 63 HH21 ARG 63 -1.855 24.747 21.014 1073 HH22 ARG 63 HH22 ARG 63 -1.124 23.352 21.769 1074 H PHE 64 H PHE 64 -6.237 20.735 14.057 1075 HA PHE 64 HA PHE 64 -5.816 17.975 14.670 1076 HB2 PHE 64 HB2 PHE 64 -7.689 18.608 13.356 1077 HB3 PHE 64 HB3 PHE 64 -6.666 19.380 12.155 1078 HD1 PHE 64 HD2 PHE 64 -7.167 15.979 13.790 1079 HD2 PHE 64 HD1 PHE 64 -6.055 18.118 10.237 1080 HE1 PHE 64 HE2 PHE 64 -6.857 13.830 12.595 1081 HE2 PHE 64 HE1 PHE 64 -5.586 15.964 9.074 1082 HZ PHE 64 HZ PHE 64 -6.047 13.811 10.244 1083 H ARG 65 H ARG 65 -4.178 19.913 12.055 1084 HA ARG 65 HA ARG 65 -2.571 17.701 11.120 1085 HB2 ARG 65 HB2 ARG 65 -2.853 20.686 10.671 1086 HB3 ARG 65 HB3 ARG 65 -1.465 19.953 10.014 1087 HG2 ARG 65 HG2 ARG 65 -4.250 18.994 9.528 1088 HG3 ARG 65 HG3 ARG 65 -3.441 20.105 8.422 1089 HD2 ARG 65 HD2 ARG 65 -2.290 17.386 9.086 1090 HD3 ARG 65 HD3 ARG 65 -3.438 17.612 7.778 1091 HE ARG 65 HE ARG 65 -1.853 18.729 6.496 1092 HH11 ARG 65 HH21 ARG 65 -0.284 17.923 9.561 1093 HH12 ARG 65 HH22 ARG 65 1.283 18.224 8.876 1094 HH21 ARG 65 HH11 ARG 65 0.089 19.074 5.762 1095 HH22 ARG 65 HH12 ARG 65 1.501 18.879 6.775 1096 H PHE 66 H PHE 66 -2.163 20.153 13.277 1097 HA PHE 66 HA PHE 66 0.740 19.789 13.802 1098 HB2 PHE 66 HB2 PHE 66 -1.301 21.717 14.932 1099 HB3 PHE 66 HB3 PHE 66 0.338 21.614 15.540 1100 HD1 PHE 66 HD1 PHE 66 2.308 21.994 13.956 1101 HD2 PHE 66 HD2 PHE 66 -1.760 22.976 12.940 1102 HE1 PHE 66 HE1 PHE 66 3.124 23.569 12.213 1103 HE2 PHE 66 HE2 PHE 66 -0.945 24.603 11.249 1104 HZ PHE 66 HZ PHE 66 1.496 24.883 10.862 1105 H GLU 67 H GLU 67 -2.125 19.567 15.976 1106 HA GLU 67 HA GLU 67 -0.312 18.542 18.111 1107 HB2 GLU 67 HB2 GLU 67 -2.665 20.448 17.992 1108 HB3 GLU 67 HB3 GLU 67 -2.312 19.607 19.489 1109 HG2 GLU 67 HG2 GLU 67 -0.161 21.140 17.983 1110 HG3 GLU 67 HG3 GLU 67 -1.274 21.951 19.062 1111 H ASN 68 H ASN 68 -3.434 17.912 16.714 1112 HA ASN 68 HA ASN 68 -3.808 15.531 18.467 1113 HB2 ASN 68 HB2 ASN 68 -5.952 17.369 17.348 1114 HB3 ASN 68 HB3 ASN 68 -6.254 15.901 18.266 1115 HD21 ASN 68 HD21 ASN 68 -5.681 19.259 18.530 1116 HD22 ASN 68 HD22 ASN 68 -5.412 19.291 20.279 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -4.937 -10.398 -4.028 2 H2 GLY 1 H2 GLY 1 -3.517 -11.213 -3.988 3 H3 GLY 1 H3 GLY 1 -4.357 -11.098 -5.391 4 HA2 GLY 1 HA2 GLY 1 -2.481 -9.607 -5.459 5 HA3 GLY 1 HA3 GLY 1 -4.014 -8.717 -5.476 6 H SER 2 H SER 2 -2.971 -6.855 -4.630 7 HA SER 2 HA SER 2 -2.661 -6.820 -1.688 8 HB2 SER 2 HB2 SER 2 -0.534 -5.579 -1.840 9 HB3 SER 2 HB3 SER 2 -0.395 -7.228 -2.462 10 HG SER 2 HG SER 2 0.613 -5.700 -3.847 11 H HIS 3 H HIS 3 -2.567 -4.613 -0.807 12 HA HIS 3 HA HIS 3 -4.619 -2.961 -1.970 13 HB2 HIS 3 HB2 HIS 3 -2.777 -2.240 0.327 14 HB3 HIS 3 HB3 HIS 3 -4.395 -1.605 0.023 15 HD1 HIS 3 HD1 HIS 3 -2.738 -4.062 2.152 16 HD2 HIS 3 HD2 HIS 3 -6.303 -3.965 -0.079 17 HE1 HIS 3 HE1 HIS 3 -4.204 -5.940 3.058 18 H MET 4 H MET 4 -4.513 -0.908 -2.837 19 HA MET 4 HA MET 4 -1.896 0.344 -3.490 20 HB2 MET 4 HB2 MET 4 -4.113 -0.258 -5.500 21 HB3 MET 4 HB3 MET 4 -2.719 0.785 -5.807 22 HG2 MET 4 HG2 MET 4 -1.202 -1.138 -5.359 23 HG3 MET 4 HG3 MET 4 -2.607 -2.193 -5.198 24 HE1 MET 4 HE1 MET 4 -4.138 -2.986 -7.125 25 HE2 MET 4 HE2 MET 4 -4.602 -1.316 -7.530 26 HE3 MET 4 HE3 MET 4 -4.038 -2.415 -8.804 27 H ARG 5 H ARG 5 -2.212 2.651 -4.192 28 HA ARG 5 HA ARG 5 -4.750 3.845 -3.166 29 HB2 ARG 5 HB2 ARG 5 -2.414 3.928 -1.719 30 HB3 ARG 5 HB3 ARG 5 -2.252 5.388 -2.655 31 HG2 ARG 5 HG2 ARG 5 -4.618 5.994 -1.916 32 HG3 ARG 5 HG3 ARG 5 -4.576 4.648 -0.824 33 HD2 ARG 5 HD2 ARG 5 -4.131 6.577 0.416 34 HD3 ARG 5 HD3 ARG 5 -2.752 5.521 0.451 35 HE ARG 5 HE ARG 5 -2.922 7.942 -1.369 36 HH11 ARG 5 HH21 ARG 5 -0.969 6.125 0.909 37 HH12 ARG 5 HH22 ARG 5 0.441 7.087 0.568 38 HH21 ARG 5 HH11 ARG 5 -1.154 9.094 -1.740 39 HH22 ARG 5 HH12 ARG 5 0.337 8.742 -0.900 40 H MET 6 H MET 6 -5.489 5.645 -4.149 41 HA MET 6 HA MET 6 -3.899 6.743 -6.376 42 HB2 MET 6 HB2 MET 6 -6.909 6.532 -6.158 43 HB3 MET 6 HB3 MET 6 -6.029 7.102 -7.580 44 HG2 MET 6 HG2 MET 6 -5.886 4.287 -6.442 45 HG3 MET 6 HG3 MET 6 -6.845 4.783 -7.835 46 HE1 MET 6 HE1 MET 6 -4.713 2.337 -7.667 47 HE2 MET 6 HE2 MET 6 -5.754 2.675 -9.071 48 HE3 MET 6 HE3 MET 6 -4.003 2.464 -9.291 49 H SER 7 H SER 7 -4.249 7.725 -3.559 50 HA SER 7 HA SER 7 -4.706 9.482 -2.340 51 HB2 SER 7 HB2 SER 7 -3.310 10.838 -4.649 52 HB3 SER 7 HB3 SER 7 -3.576 11.596 -3.065 53 HG SER 7 HG SER 7 -1.528 10.433 -3.411 54 H LEU 8 H LEU 8 -5.373 11.639 -5.170 55 HA LEU 8 HA LEU 8 -8.181 11.810 -4.147 56 HB2 LEU 8 HB2 LEU 8 -6.911 14.371 -5.039 57 HB3 LEU 8 HB3 LEU 8 -8.280 14.071 -4.055 58 HG LEU 8 HG LEU 8 -5.577 13.294 -2.913 59 HD11 LEU 8 HD11 LEU 8 -5.253 15.576 -3.698 60 HD12 LEU 8 HD12 LEU 8 -5.339 15.477 -1.934 61 HD13 LEU 8 HD13 LEU 8 -6.740 16.087 -2.862 62 HD21 LEU 8 HD21 LEU 8 -6.774 13.841 -0.834 63 HD22 LEU 8 HD22 LEU 8 -7.713 12.671 -1.797 64 HD23 LEU 8 HD23 LEU 8 -8.171 14.391 -1.791 65 H ILE 9 H ILE 9 -8.845 10.425 -5.814 66 HA ILE 9 HA ILE 9 -8.502 11.042 -8.578 67 HB ILE 9 HB ILE 9 -10.909 9.585 -7.460 68 HG12 ILE 9 HG12 ILE 9 -8.112 8.411 -7.577 69 HG13 ILE 9 HG13 ILE 9 -9.023 8.700 -6.126 70 HG21 ILE 9 HG21 ILE 9 -9.154 9.031 -9.887 71 HG22 ILE 9 HG22 ILE 9 -10.701 8.253 -9.494 72 HG23 ILE 9 HG23 ILE 9 -10.670 9.955 -9.932 73 HD11 ILE 9 HD11 ILE 9 -9.646 6.633 -8.234 74 HD12 ILE 9 HD12 ILE 9 -9.238 6.409 -6.524 75 HD13 ILE 9 HD13 ILE 9 -10.794 7.130 -6.961 76 H GLY 10 H GLY 10 -10.820 12.065 -6.154 77 HA2 GLY 10 HA2 GLY 10 -12.216 14.044 -6.292 78 HA3 GLY 10 HA3 GLY 10 -12.198 13.947 -8.037 79 H GLU 11 H GLU 11 -12.654 10.811 -6.990 80 HA GLU 11 HA GLU 11 -15.571 10.993 -6.418 81 HB2 GLU 11 HB2 GLU 11 -15.713 8.761 -7.734 82 HB3 GLU 11 HB3 GLU 11 -15.910 10.323 -8.553 83 HG2 GLU 11 HG2 GLU 11 -13.526 10.161 -9.340 84 HG3 GLU 11 HG3 GLU 11 -13.431 8.555 -8.614 85 H ARG 12 H ARG 12 -13.180 8.388 -6.839 86 HA ARG 12 HA ARG 12 -12.499 6.705 -5.498 87 HB2 ARG 12 HB2 ARG 12 -12.801 8.161 -2.954 88 HB3 ARG 12 HB3 ARG 12 -11.616 7.063 -3.600 89 HG2 ARG 12 HG2 ARG 12 -10.271 8.754 -3.702 90 HG3 ARG 12 HG3 ARG 12 -11.019 9.068 -5.239 91 HD2 ARG 12 HD2 ARG 12 -10.879 11.143 -3.947 92 HD3 ARG 12 HD3 ARG 12 -12.568 10.713 -4.148 93 HE ARG 12 HE ARG 12 -10.936 10.392 -1.649 94 HH11 ARG 12 HH11 ARG 12 -14.125 10.802 -3.034 95 HH12 ARG 12 HH12 ARG 12 -14.790 11.297 -1.502 96 HH21 ARG 12 HH21 ARG 12 -11.969 10.804 0.319 97 HH22 ARG 12 HH22 ARG 12 -13.680 11.083 0.319 98 H PHE 13 H PHE 13 -15.214 6.746 -6.161 99 HA PHE 13 HA PHE 13 -17.080 5.959 -4.153 100 HB2 PHE 13 HB2 PHE 13 -16.741 5.146 -7.071 101 HB3 PHE 13 HB3 PHE 13 -18.186 4.909 -6.125 102 HD1 PHE 13 HD1 PHE 13 -17.607 7.964 -4.846 103 HD2 PHE 13 HD2 PHE 13 -18.209 6.223 -8.748 104 HE1 PHE 13 HE1 PHE 13 -18.476 10.129 -5.688 105 HE2 PHE 13 HE2 PHE 13 -19.059 8.401 -9.585 106 HZ PHE 13 HZ PHE 13 -19.196 10.356 -8.053 107 H THR 14 H THR 14 -17.956 3.695 -3.931 108 HA THR 14 HA THR 14 -16.353 1.990 -2.651 109 HB THR 14 HB THR 14 -18.777 1.838 -2.765 110 HG1 THR 14 HG1 THR 14 -17.740 0.124 -1.847 111 HG21 THR 14 HG21 THR 14 -18.478 0.191 -5.304 112 HG22 THR 14 HG22 THR 14 -19.072 1.869 -5.266 113 HG23 THR 14 HG23 THR 14 -19.965 0.590 -4.430 114 H GLU 15 H GLU 15 -16.676 1.584 -6.250 115 HA GLU 15 HA GLU 15 -14.802 -0.650 -6.297 116 HB2 GLU 15 HB2 GLU 15 -15.836 1.163 -8.512 117 HB3 GLU 15 HB3 GLU 15 -14.841 -0.279 -8.755 118 HG2 GLU 15 HG2 GLU 15 -16.601 -1.660 -7.633 119 HG3 GLU 15 HG3 GLU 15 -17.625 -0.227 -7.519 120 H GLU 16 H GLU 16 -14.480 2.801 -6.690 121 HA GLU 16 HA GLU 16 -11.573 2.748 -7.270 122 HB2 GLU 16 HB2 GLU 16 -13.433 5.132 -6.953 123 HB3 GLU 16 HB3 GLU 16 -11.800 5.142 -7.594 124 HG2 GLU 16 HG2 GLU 16 -14.257 3.909 -8.890 125 HG3 GLU 16 HG3 GLU 16 -13.380 5.341 -9.403 126 H GLU 17 H GLU 17 -13.331 2.437 -4.554 127 HA GLU 17 HA GLU 17 -12.270 4.276 -2.756 128 HB2 GLU 17 HB2 GLU 17 -14.311 2.855 -2.525 129 HB3 GLU 17 HB3 GLU 17 -13.272 1.484 -2.101 130 HG2 GLU 17 HG2 GLU 17 -12.500 2.738 -0.080 131 HG3 GLU 17 HG3 GLU 17 -13.467 4.120 -0.598 132 H GLN 18 H GLN 18 -10.605 1.625 -3.968 133 HA GLN 18 HA GLN 18 -8.961 0.582 -2.155 134 HB2 GLN 18 HB2 GLN 18 -7.162 0.207 -3.514 135 HB3 GLN 18 HB3 GLN 18 -8.603 0.078 -4.485 136 HG2 GLN 18 HG2 GLN 18 -6.630 2.401 -4.419 137 HG3 GLN 18 HG3 GLN 18 -6.776 1.107 -5.640 138 HE21 GLN 18 HE22 GLN 18 -7.663 4.281 -4.969 139 HE22 GLN 18 HE21 GLN 18 -9.208 4.336 -5.827 140 H LYS 19 H LYS 19 -8.575 3.889 -3.207 141 HA LYS 19 HA LYS 19 -6.405 4.835 -1.715 142 HB2 LYS 19 HB2 LYS 19 -7.611 6.231 -3.273 143 HB3 LYS 19 HB3 LYS 19 -9.096 5.875 -2.506 144 HG2 LYS 19 HG2 LYS 19 -8.085 8.186 -2.311 145 HG3 LYS 19 HG3 LYS 19 -9.027 7.368 -1.036 146 HD2 LYS 19 HD2 LYS 19 -7.469 7.284 0.441 147 HD3 LYS 19 HD3 LYS 19 -6.164 7.078 -0.666 148 HE2 LYS 19 HE2 LYS 19 -6.200 9.251 0.760 149 HE3 LYS 19 HE3 LYS 19 -5.973 9.482 -0.958 150 HZ1 LYS 19 HZ1 LYS 19 -8.660 9.726 0.290 151 HZ2 LYS 19 HZ2 LYS 19 -8.163 10.176 -1.232 152 HZ3 LYS 19 HZ3 LYS 19 -7.651 10.998 0.068 153 H LEU 20 H LEU 20 -9.740 4.769 -0.565 154 HA LEU 20 HA LEU 20 -9.125 5.746 2.097 155 HB2 LEU 20 HB2 LEU 20 -11.675 4.591 0.866 156 HB3 LEU 20 HB3 LEU 20 -11.608 5.435 2.362 157 HG LEU 20 HG LEU 20 -12.485 7.009 1.108 158 HD11 LEU 20 HD11 LEU 20 -10.624 7.992 2.281 159 HD12 LEU 20 HD12 LEU 20 -10.819 8.775 0.700 160 HD13 LEU 20 HD13 LEU 20 -9.501 7.625 0.990 161 HD21 LEU 20 HD21 LEU 20 -10.802 6.013 -1.204 162 HD22 LEU 20 HD22 LEU 20 -11.664 7.561 -1.201 163 HD23 LEU 20 HD23 LEU 20 -12.544 6.039 -0.983 164 H LEU 21 H LEU 21 -9.824 2.795 0.549 165 HA LEU 21 HA LEU 21 -10.033 0.787 2.582 166 HB2 LEU 21 HB2 LEU 21 -10.717 0.266 0.415 167 HB3 LEU 21 HB3 LEU 21 -9.370 1.072 -0.290 168 HG LEU 21 HG LEU 21 -9.379 -1.197 -0.893 169 HD11 LEU 21 HD11 LEU 21 -6.968 -1.076 0.917 170 HD12 LEU 21 HD12 LEU 21 -7.082 -0.254 -0.656 171 HD13 LEU 21 HD13 LEU 21 -7.229 -1.991 -0.569 172 HD21 LEU 21 HD21 LEU 21 -8.891 -1.877 2.029 173 HD22 LEU 21 HD22 LEU 21 -9.055 -3.015 0.662 174 HD23 LEU 21 HD23 LEU 21 -10.463 -2.069 1.184 175 H LEU 22 H LEU 22 -7.125 2.176 0.793 176 HA LEU 22 HA LEU 22 -5.469 0.269 2.266 177 HB2 LEU 22 HB2 LEU 22 -4.838 1.017 0.054 178 HB3 LEU 22 HB3 LEU 22 -4.701 2.694 0.570 179 HG LEU 22 HG LEU 22 -3.024 0.561 1.939 180 HD11 LEU 22 HD11 LEU 22 -2.330 1.893 -0.708 181 HD12 LEU 22 HD12 LEU 22 -2.702 0.179 -0.466 182 HD13 LEU 22 HD13 LEU 22 -1.250 0.868 0.265 183 HD21 LEU 22 HD21 LEU 22 -1.367 2.385 2.105 184 HD22 LEU 22 HD22 LEU 22 -2.889 2.914 2.812 185 HD23 LEU 22 HD23 LEU 22 -2.438 3.464 1.191 186 H ASN 23 H ASN 23 -6.155 3.685 2.424 187 HA ASN 23 HA ASN 23 -4.625 4.532 4.604 188 HB2 ASN 23 HB2 ASN 23 -7.185 5.414 3.186 189 HB3 ASN 23 HB3 ASN 23 -6.661 6.254 4.553 190 HD21 ASN 23 HD21 ASN 23 -6.801 7.433 2.146 191 HD22 ASN 23 HD22 ASN 23 -5.165 7.850 1.639 192 H ILE 24 H ILE 24 -7.753 2.901 4.737 193 HA ILE 24 HA ILE 24 -7.764 3.143 7.697 194 HB ILE 24 HB ILE 24 -9.756 1.878 7.758 195 HG12 ILE 24 HG12 ILE 24 -9.349 1.391 4.818 196 HG13 ILE 24 HG13 ILE 24 -9.483 0.224 6.102 197 HG21 ILE 24 HG21 ILE 24 -10.003 4.056 5.666 198 HG22 ILE 24 HG22 ILE 24 -11.257 3.486 6.779 199 HG23 ILE 24 HG23 ILE 24 -9.830 4.309 7.407 200 HD11 ILE 24 HD11 ILE 24 -11.736 1.949 5.005 201 HD12 ILE 24 HD12 ILE 24 -11.526 0.199 4.833 202 HD13 ILE 24 HD13 ILE 24 -11.882 0.887 6.431 203 H LEU 25 H LEU 25 -6.817 0.709 5.293 204 HA LEU 25 HA LEU 25 -6.730 -1.463 7.143 205 HB2 LEU 25 HB2 LEU 25 -7.039 -1.668 4.767 206 HB3 LEU 25 HB3 LEU 25 -5.474 -0.965 4.420 207 HG LEU 25 HG LEU 25 -5.712 -3.409 4.063 208 HD11 LEU 25 HD11 LEU 25 -3.510 -2.787 6.057 209 HD12 LEU 25 HD12 LEU 25 -3.495 -2.324 4.342 210 HD13 LEU 25 HD13 LEU 25 -3.532 -4.033 4.815 211 HD21 LEU 25 HD21 LEU 25 -7.059 -3.966 6.055 212 HD22 LEU 25 HD22 LEU 25 -5.641 -3.673 7.088 213 HD23 LEU 25 HD23 LEU 25 -5.615 -4.982 5.892 214 H ILE 26 H ILE 26 -4.274 0.880 6.091 215 HA ILE 26 HA ILE 26 -1.953 -0.320 6.989 216 HB ILE 26 HB ILE 26 -1.059 2.050 7.242 217 HG12 ILE 26 HG12 ILE 26 -3.615 2.985 5.927 218 HG13 ILE 26 HG13 ILE 26 -3.485 3.092 7.663 219 HG21 ILE 26 HG21 ILE 26 -0.822 0.695 5.228 220 HG22 ILE 26 HG22 ILE 26 -2.442 1.149 4.677 221 HG23 ILE 26 HG23 ILE 26 -1.150 2.366 4.757 222 HD11 ILE 26 HD11 ILE 26 -1.425 4.477 7.412 223 HD12 ILE 26 HD12 ILE 26 -1.641 4.434 5.644 224 HD13 ILE 26 HD13 ILE 26 -2.866 5.198 6.671 225 H ASN 27 H ASN 27 -3.759 2.015 8.935 226 HA ASN 27 HA ASN 27 -2.889 0.836 11.492 227 HB2 ASN 27 HB2 ASN 27 -2.184 3.706 10.678 228 HB3 ASN 27 HB3 ASN 27 -2.131 3.095 12.326 229 HD21 ASN 27 HD21 ASN 27 -0.306 3.470 9.449 230 HD22 ASN 27 HD22 ASN 27 1.037 2.458 9.953 231 H HIS 28 H HIS 28 -4.379 3.886 10.206 232 HA HIS 28 HA HIS 28 -6.997 2.971 10.948 233 HB2 HIS 28 HB2 HIS 28 -6.223 3.711 13.190 234 HB3 HIS 28 HB3 HIS 28 -5.740 5.269 12.531 235 HD1 HIS 28 HD1 HIS 28 -7.474 7.082 13.186 236 HD2 HIS 28 HD2 HIS 28 -9.125 3.255 12.589 237 HE1 HIS 28 HE1 HIS 28 -9.976 7.312 13.605 238 H GLU 29 H GLU 29 -5.155 5.958 10.043 239 HA GLU 29 HA GLU 29 -7.206 6.608 8.020 240 HB2 GLU 29 HB2 GLU 29 -8.076 7.417 10.222 241 HB3 GLU 29 HB3 GLU 29 -6.628 8.401 10.423 242 HG2 GLU 29 HG2 GLU 29 -7.263 9.793 8.519 243 HG3 GLU 29 HG3 GLU 29 -8.588 8.697 8.108 244 H TYR 30 H TYR 30 -6.533 8.164 6.490 245 HA TYR 30 HA TYR 30 -4.089 9.705 6.912 246 HB2 TYR 30 HB2 TYR 30 -3.170 7.553 6.098 247 HB3 TYR 30 HB3 TYR 30 -4.207 7.682 4.677 248 HD1 TYR 30 HD2 TYR 30 -1.785 9.951 6.503 249 HD2 TYR 30 HD1 TYR 30 -3.081 8.296 2.735 250 HE1 TYR 30 HE2 TYR 30 -0.066 11.291 5.310 251 HE2 TYR 30 HE1 TYR 30 -1.387 9.629 1.554 252 HH TYR 30 HH TYR 30 0.372 11.117 1.753 253 H ALA 31 H ALA 31 -6.390 8.796 4.204 254 HA ALA 31 HA ALA 31 -6.739 10.750 2.684 255 HB1 ALA 31 HB1 ALA 31 -8.335 8.960 2.909 256 HB2 ALA 31 HB2 ALA 31 -8.983 9.665 4.418 257 HB3 ALA 31 HB3 ALA 31 -9.209 10.515 2.886 258 H ILE 32 H ILE 32 -8.012 11.189 6.042 259 HA ILE 32 HA ILE 32 -8.722 13.882 5.690 260 HB ILE 32 HB ILE 32 -8.264 12.070 8.042 261 HG12 ILE 32 HG12 ILE 32 -10.327 11.803 6.756 262 HG13 ILE 32 HG13 ILE 32 -10.648 12.353 8.396 263 HG21 ILE 32 HG21 ILE 32 -7.510 14.195 8.941 264 HG22 ILE 32 HG22 ILE 32 -9.012 14.982 8.412 265 HG23 ILE 32 HG23 ILE 32 -9.010 13.660 9.624 266 HD11 ILE 32 HD11 ILE 32 -11.087 14.649 7.575 267 HD12 ILE 32 HD12 ILE 32 -10.749 14.126 5.905 268 HD13 ILE 32 HD13 ILE 32 -12.118 13.475 6.764 269 H GLU 33 H GLU 33 -5.606 12.623 6.745 270 HA GLU 33 HA GLU 33 -4.378 15.145 7.366 271 HB2 GLU 33 HB2 GLU 33 -3.348 12.844 7.661 272 HB3 GLU 33 HB3 GLU 33 -2.943 12.907 5.931 273 HG2 GLU 33 HG2 GLU 33 -1.703 15.027 6.309 274 HG3 GLU 33 HG3 GLU 33 -2.117 14.974 8.022 275 H LEU 34 H LEU 34 -4.983 13.485 4.292 276 HA LEU 34 HA LEU 34 -3.853 15.501 2.630 277 HB2 LEU 34 HB2 LEU 34 -6.214 13.783 1.762 278 HB3 LEU 34 HB3 LEU 34 -4.964 14.512 0.783 279 HG LEU 34 HG LEU 34 -4.747 12.090 2.595 280 HD11 LEU 34 HD11 LEU 34 -4.257 12.469 -0.389 281 HD12 LEU 34 HD12 LEU 34 -5.755 11.847 0.320 282 HD13 LEU 34 HD13 LEU 34 -4.236 10.936 0.510 283 HD21 LEU 34 HD21 LEU 34 -2.536 13.539 1.104 284 HD22 LEU 34 HD22 LEU 34 -2.443 11.876 1.737 285 HD23 LEU 34 HD23 LEU 34 -2.641 13.211 2.865 286 H LEU 35 H LEU 35 -7.246 15.091 3.815 287 HA LEU 35 HA LEU 35 -8.420 17.222 2.423 288 HB2 LEU 35 HB2 LEU 35 -9.699 15.648 3.825 289 HB3 LEU 35 HB3 LEU 35 -8.967 16.264 5.273 290 HG LEU 35 HG LEU 35 -10.028 18.392 5.109 291 HD11 LEU 35 HD11 LEU 35 -11.625 17.603 2.663 292 HD12 LEU 35 HD12 LEU 35 -10.151 18.579 2.545 293 HD13 LEU 35 HD13 LEU 35 -11.526 19.150 3.490 294 HD21 LEU 35 HD21 LEU 35 -12.390 17.714 5.325 295 HD22 LEU 35 HD22 LEU 35 -11.292 16.615 6.163 296 HD23 LEU 35 HD23 LEU 35 -12.002 16.136 4.610 297 H SER 36 H SER 36 -6.943 17.395 5.755 298 HA SER 36 HA SER 36 -7.381 20.190 6.043 299 HB2 SER 36 HB2 SER 36 -6.954 18.531 7.865 300 HB3 SER 36 HB3 SER 36 -5.249 18.530 7.384 301 HG SER 36 HG SER 36 -6.796 20.744 8.310 302 H SER 37 H SER 37 -4.547 18.375 4.819 303 HA SER 37 HA SER 37 -2.845 20.624 4.578 304 HB2 SER 37 HB2 SER 37 -2.407 18.019 4.282 305 HB3 SER 37 HB3 SER 37 -2.569 18.413 2.563 306 HG SER 37 HG SER 37 -0.879 19.865 2.778 307 H GLU 38 H GLU 38 -5.187 19.130 2.458 308 HA GLU 38 HA GLU 38 -4.772 20.667 0.029 309 HB2 GLU 38 HB2 GLU 38 -6.963 18.844 1.062 310 HB3 GLU 38 HB3 GLU 38 -7.280 19.778 -0.349 311 HG2 GLU 38 HG2 GLU 38 -4.903 17.889 -0.066 312 HG3 GLU 38 HG3 GLU 38 -6.443 17.478 -0.814 313 H ILE 39 H ILE 39 -7.300 20.981 2.592 314 HA ILE 39 HA ILE 39 -8.620 23.163 1.313 315 HB ILE 39 HB ILE 39 -9.585 23.659 3.526 316 HG12 ILE 39 HG12 ILE 39 -9.192 21.399 5.076 317 HG13 ILE 39 HG13 ILE 39 -7.572 21.768 4.513 318 HG21 ILE 39 HG21 ILE 39 -10.919 21.542 3.540 319 HG22 ILE 39 HG22 ILE 39 -10.599 22.156 1.915 320 HG23 ILE 39 HG23 ILE 39 -9.657 20.791 2.536 321 HD11 ILE 39 HD11 ILE 39 -8.020 22.848 6.672 322 HD12 ILE 39 HD12 ILE 39 -7.850 24.110 5.437 323 HD13 ILE 39 HD13 ILE 39 -9.463 23.640 6.009 324 H ASN 40 H ASN 40 -6.046 23.058 3.829 325 HA ASN 40 HA ASN 40 -5.922 25.954 3.845 326 HB2 ASN 40 HB2 ASN 40 -4.355 25.891 5.412 327 HB3 ASN 40 HB3 ASN 40 -5.107 24.323 5.681 328 HD21 ASN 40 HD21 ASN 40 -3.852 22.484 5.313 329 HD22 ASN 40 HD22 ASN 40 -2.133 22.578 4.926 330 H ASP 41 H ASP 41 -4.322 23.626 1.681 331 HA ASP 41 HA ASP 41 -2.399 25.565 0.697 332 HB2 ASP 41 HB2 ASP 41 -2.322 23.013 0.491 333 HB3 ASP 41 HB3 ASP 41 -3.479 23.178 -0.832 334 H ILE 42 H ILE 42 -5.795 24.934 0.070 335 HA ILE 42 HA ILE 42 -5.870 26.840 -2.217 336 HB ILE 42 HB ILE 42 -7.978 25.198 -0.801 337 HG12 ILE 42 HG12 ILE 42 -8.369 24.437 -3.170 338 HG13 ILE 42 HG13 ILE 42 -7.012 25.424 -3.698 339 HG21 ILE 42 HG21 ILE 42 -9.086 27.349 -1.207 340 HG22 ILE 42 HG22 ILE 42 -8.462 27.387 -2.875 341 HG23 ILE 42 HG23 ILE 42 -9.653 26.166 -2.377 342 HD11 ILE 42 HD11 ILE 42 -6.304 23.098 -3.505 343 HD12 ILE 42 HD12 ILE 42 -5.509 23.972 -2.210 344 HD13 ILE 42 HD13 ILE 42 -6.958 23.010 -1.860 345 H GLU 43 H GLU 43 -6.956 26.805 1.152 346 HA GLU 43 HA GLU 43 -8.166 29.367 1.134 347 HB2 GLU 43 HB2 GLU 43 -8.369 27.450 2.824 348 HB3 GLU 43 HB3 GLU 43 -6.904 28.030 3.568 349 HG2 GLU 43 HG2 GLU 43 -8.897 28.841 4.756 350 HG3 GLU 43 HG3 GLU 43 -7.934 30.166 4.120 351 H THR 44 H THR 44 -4.931 28.464 2.231 352 HA THR 44 HA THR 44 -4.119 31.358 2.249 353 HB THR 44 HB THR 44 -4.334 30.610 4.519 354 HG1 THR 44 HG1 THR 44 -2.679 32.032 4.125 355 HG21 THR 44 HG21 THR 44 -2.330 28.428 3.830 356 HG22 THR 44 HG22 THR 44 -3.998 28.231 4.420 357 HG23 THR 44 HG23 THR 44 -2.770 28.928 5.477 358 H GLY 45 H GLY 45 -2.980 28.017 1.517 359 HA2 GLY 45 HA2 GLY 45 -0.484 28.805 0.382 360 HA3 GLY 45 HA3 GLY 45 -1.413 27.377 -0.073 361 H THR 46 H THR 46 -3.715 29.169 -0.897 362 HA THR 46 HA THR 46 -4.599 30.169 -2.655 363 HB THR 46 HB THR 46 -2.067 31.703 -3.240 364 HG1 THR 46 HG1 THR 46 -2.476 31.741 -0.976 365 HG21 THR 46 HG21 THR 46 -3.721 33.514 -3.648 366 HG22 THR 46 HG22 THR 46 -5.044 32.398 -3.235 367 HG23 THR 46 HG23 THR 46 -4.061 32.125 -4.689 368 H LYS 47 H LYS 47 -3.827 27.661 -3.158 369 HA LYS 47 HA LYS 47 -2.965 27.390 -5.944 370 HB2 LYS 47 HB2 LYS 47 -4.780 25.666 -4.198 371 HB3 LYS 47 HB3 LYS 47 -4.236 25.232 -5.802 372 HG2 LYS 47 HG2 LYS 47 -2.553 25.511 -3.298 373 HG3 LYS 47 HG3 LYS 47 -2.951 24.037 -4.154 374 HD2 LYS 47 HD2 LYS 47 -1.122 26.271 -5.135 375 HD3 LYS 47 HD3 LYS 47 -0.633 24.692 -4.526 376 HE2 LYS 47 HE2 LYS 47 -1.839 23.578 -6.400 377 HE3 LYS 47 HE3 LYS 47 -2.281 25.161 -7.052 378 HZ1 LYS 47 HZ1 LYS 47 -0.290 24.287 -8.133 379 HZ2 LYS 47 HZ2 LYS 47 0.502 24.172 -6.713 380 HZ3 LYS 47 HZ3 LYS 47 0.103 25.640 -7.310 381 H ASN 48 H ASN 48 -4.204 27.484 -7.798 382 HA ASN 48 HA ASN 48 -7.096 28.119 -7.628 383 HB2 ASN 48 HB2 ASN 48 -5.050 29.757 -9.200 384 HB3 ASN 48 HB3 ASN 48 -6.799 29.910 -9.343 385 HD21 ASN 48 HD21 ASN 48 -7.906 30.254 -6.994 386 HD22 ASN 48 HD22 ASN 48 -7.099 31.510 -6.075 387 H VAL 49 H VAL 49 -8.245 27.023 -9.067 388 HA VAL 49 HA VAL 49 -7.393 26.250 -11.707 389 HB VAL 49 HB VAL 49 -6.165 24.533 -10.536 390 HG11 VAL 49 HG11 VAL 49 -8.747 23.713 -9.189 391 HG12 VAL 49 HG12 VAL 49 -7.204 22.830 -9.116 392 HG13 VAL 49 HG13 VAL 49 -7.330 24.437 -8.395 393 HG21 VAL 49 HG21 VAL 49 -8.608 23.094 -11.609 394 HG22 VAL 49 HG22 VAL 49 -7.346 23.825 -12.636 395 HG23 VAL 49 HG23 VAL 49 -6.943 22.519 -11.508 396 H ASP 50 H ASP 50 -9.125 24.945 -12.749 397 HA ASP 50 HA ASP 50 -11.876 25.690 -12.328 398 HB2 ASP 50 HB2 ASP 50 -10.691 23.307 -13.793 399 HB3 ASP 50 HB3 ASP 50 -12.267 24.026 -14.061 400 H GLY 51 H GLY 51 -13.416 23.458 -12.393 401 HA2 GLY 51 HA2 GLY 51 -13.943 22.767 -9.851 402 HA3 GLY 51 HA3 GLY 51 -14.396 21.760 -11.208 403 H THR 52 H THR 52 -11.146 21.475 -11.290 404 HA THR 52 HA THR 52 -10.958 18.827 -10.238 405 HB THR 52 HB THR 52 -8.903 21.002 -10.755 406 HG1 THR 52 HG1 THR 52 -9.881 19.966 -12.539 407 HG21 THR 52 HG21 THR 52 -7.185 19.193 -10.583 408 HG22 THR 52 HG22 THR 52 -8.421 18.148 -9.835 409 HG23 THR 52 HG23 THR 52 -7.886 19.632 -9.021 410 H THR 53 H THR 53 -9.587 21.821 -8.591 411 HA THR 53 HA THR 53 -9.225 20.376 -6.201 412 HB THR 53 HB THR 53 -8.036 22.448 -6.898 413 HG1 THR 53 HG1 THR 53 -7.756 23.043 -4.790 414 HG21 THR 53 HG21 THR 53 -8.849 24.630 -6.302 415 HG22 THR 53 HG22 THR 53 -10.324 23.973 -5.574 416 HG23 THR 53 HG23 THR 53 -10.095 23.909 -7.334 417 H TYR 54 H TYR 54 -11.954 22.379 -7.195 418 HA TYR 54 HA TYR 54 -13.555 22.430 -4.864 419 HB2 TYR 54 HB2 TYR 54 -14.273 22.020 -7.801 420 HB3 TYR 54 HB3 TYR 54 -15.470 22.215 -6.551 421 HD1 TYR 54 HD2 TYR 54 -12.702 23.994 -8.320 422 HD2 TYR 54 HD1 TYR 54 -15.970 24.311 -5.521 423 HE1 TYR 54 HE2 TYR 54 -12.550 26.471 -8.441 424 HE2 TYR 54 HE1 TYR 54 -15.816 26.807 -5.638 425 HH TYR 54 HH TYR 54 -13.403 28.470 -7.707 426 H LYS 55 H LYS 55 -13.617 19.964 -7.507 427 HA LYS 55 HA LYS 55 -15.222 18.181 -6.207 428 HB2 LYS 55 HB2 LYS 55 -14.835 18.409 -8.617 429 HB3 LYS 55 HB3 LYS 55 -13.237 17.780 -8.459 430 HG2 LYS 55 HG2 LYS 55 -14.578 15.765 -8.897 431 HG3 LYS 55 HG3 LYS 55 -14.621 15.776 -7.158 432 HD2 LYS 55 HD2 LYS 55 -16.648 17.492 -7.533 433 HD3 LYS 55 HD3 LYS 55 -16.728 16.707 -9.110 434 HE2 LYS 55 HE2 LYS 55 -16.834 14.459 -7.989 435 HE3 LYS 55 HE3 LYS 55 -16.852 15.264 -6.419 436 HZ1 LYS 55 HZ1 LYS 55 -18.924 15.591 -8.530 437 HZ2 LYS 55 HZ2 LYS 55 -18.948 16.350 -7.083 438 HZ3 LYS 55 HZ3 LYS 55 -19.105 14.726 -7.160 439 H LYS 56 H LYS 56 -11.624 18.136 -6.237 440 HA LYS 56 HA LYS 56 -11.245 15.820 -4.566 441 HB2 LYS 56 HB2 LYS 56 -9.597 18.276 -5.054 442 HB3 LYS 56 HB3 LYS 56 -9.187 17.136 -3.767 443 HG2 LYS 56 HG2 LYS 56 -7.996 16.301 -5.553 444 HG3 LYS 56 HG3 LYS 56 -9.430 15.271 -5.527 445 HD2 LYS 56 HD2 LYS 56 -10.425 16.598 -7.377 446 HD3 LYS 56 HD3 LYS 56 -8.907 17.536 -7.481 447 HE2 LYS 56 HE2 LYS 56 -7.647 15.514 -7.968 448 HE3 LYS 56 HE3 LYS 56 -9.038 14.503 -7.585 449 HZ1 LYS 56 HZ1 LYS 56 -8.852 16.283 -9.951 450 HZ2 LYS 56 HZ2 LYS 56 -10.178 15.402 -9.547 451 HZ3 LYS 56 HZ3 LYS 56 -8.796 14.654 -9.952 452 H LEU 57 H LEU 57 -11.845 19.196 -3.498 453 HA LEU 57 HA LEU 57 -11.711 18.561 -0.684 454 HB2 LEU 57 HB2 LEU 57 -11.068 20.598 -1.679 455 HB3 LEU 57 HB3 LEU 57 -12.664 20.954 -2.302 456 HG LEU 57 HG LEU 57 -11.982 20.871 0.661 457 HD11 LEU 57 HD11 LEU 57 -10.811 22.684 -0.572 458 HD12 LEU 57 HD12 LEU 57 -12.076 23.353 0.470 459 HD13 LEU 57 HD13 LEU 57 -12.356 23.209 -1.275 460 HD21 LEU 57 HD21 LEU 57 -14.357 20.594 0.530 461 HD22 LEU 57 HD22 LEU 57 -14.486 21.680 -0.864 462 HD23 LEU 57 HD23 LEU 57 -14.130 22.315 0.760 463 H VAL 58 H VAL 58 -14.454 19.001 -2.945 464 HA VAL 58 HA VAL 58 -16.383 18.576 -0.833 465 HB VAL 58 HB VAL 58 -16.631 20.027 -2.891 466 HG11 VAL 58 HG11 VAL 58 -17.753 17.581 -4.279 467 HG12 VAL 58 HG12 VAL 58 -17.321 19.186 -4.945 468 HG13 VAL 58 HG13 VAL 58 -16.062 18.052 -4.439 469 HG21 VAL 58 HG21 VAL 58 -18.924 18.167 -2.238 470 HG22 VAL 58 HG22 VAL 58 -18.463 19.648 -1.346 471 HG23 VAL 58 HG23 VAL 58 -19.038 19.759 -3.017 472 H THR 59 H THR 59 -14.681 16.422 -3.002 473 HA THR 59 HA THR 59 -16.516 14.173 -2.616 474 HB THR 59 HB THR 59 -14.958 14.491 -4.586 475 HG1 THR 59 HG1 THR 59 -15.254 12.525 -4.977 476 HG21 THR 59 HG21 THR 59 -12.938 13.406 -2.582 477 HG22 THR 59 HG22 THR 59 -12.837 14.772 -3.671 478 HG23 THR 59 HG23 THR 59 -12.811 13.139 -4.329 479 H LEU 60 H LEU 60 -13.549 15.377 -1.097 480 HA LEU 60 HA LEU 60 -12.870 13.374 0.707 481 HB2 LEU 60 HB2 LEU 60 -12.628 16.292 0.708 482 HB3 LEU 60 HB3 LEU 60 -12.791 15.637 2.325 483 HG LEU 60 HG LEU 60 -10.514 15.900 1.761 484 HD11 LEU 60 HD11 LEU 60 -11.136 13.910 3.160 485 HD12 LEU 60 HD12 LEU 60 -9.559 13.885 2.347 486 HD13 LEU 60 HD13 LEU 60 -10.910 12.910 1.700 487 HD21 LEU 60 HD21 LEU 60 -11.064 14.214 -0.640 488 HD22 LEU 60 HD22 LEU 60 -9.420 14.469 0.048 489 HD23 LEU 60 HD23 LEU 60 -10.366 15.851 -0.499 490 H TYR 61 H TYR 61 -15.278 15.890 1.402 491 HA TYR 61 HA TYR 61 -16.301 14.456 3.738 492 HB2 TYR 61 HB2 TYR 61 -17.475 16.231 4.311 493 HB3 TYR 61 HB3 TYR 61 -16.539 17.067 3.069 494 HD1 TYR 61 HD1 TYR 61 -17.647 17.646 0.882 495 HD2 TYR 61 HD2 TYR 61 -19.846 15.713 4.035 496 HE1 TYR 61 HE1 TYR 61 -19.820 18.241 -0.210 497 HE2 TYR 61 HE2 TYR 61 -21.973 16.369 2.988 498 HH TYR 61 HH TYR 61 -22.980 17.410 1.205 499 H ASP 62 H ASP 62 -17.348 14.679 0.431 500 HA ASP 62 HA ASP 62 -19.839 13.347 0.623 501 HB2 ASP 62 HB2 ASP 62 -18.999 14.481 -1.441 502 HB3 ASP 62 HB3 ASP 62 -17.999 13.047 -1.739 503 H ARG 63 H ARG 63 -16.630 11.917 0.958 504 HA ARG 63 HA ARG 63 -18.128 9.360 1.560 505 HB2 ARG 63 HB2 ARG 63 -15.702 9.753 -0.002 506 HB3 ARG 63 HB3 ARG 63 -15.423 8.586 1.264 507 HG2 ARG 63 HG2 ARG 63 -16.884 7.029 0.500 508 HG3 ARG 63 HG3 ARG 63 -18.024 8.182 -0.156 509 HD2 ARG 63 HD2 ARG 63 -15.355 7.436 -1.326 510 HD3 ARG 63 HD3 ARG 63 -16.916 6.835 -1.914 511 HE ARG 63 HE ARG 63 -15.663 9.110 -2.874 512 HH11 ARG 63 HH21 ARG 63 -18.981 8.537 -1.772 513 HH12 ARG 63 HH22 ARG 63 -19.462 10.092 -2.443 514 HH21 ARG 63 HH11 ARG 63 -16.501 11.076 -3.603 515 HH22 ARG 63 HH12 ARG 63 -18.234 11.328 -3.380 516 H PHE 64 H PHE 64 -15.660 11.486 2.920 517 HA PHE 64 HA PHE 64 -15.186 9.912 5.252 518 HB2 PHE 64 HB2 PHE 64 -13.757 11.715 4.766 519 HB3 PHE 64 HB3 PHE 64 -15.099 12.857 4.735 520 HD1 PHE 64 HD1 PHE 64 -12.998 10.680 6.981 521 HD2 PHE 64 HD2 PHE 64 -15.922 13.819 6.797 522 HE1 PHE 64 HE1 PHE 64 -12.647 11.165 9.397 523 HE2 PHE 64 HE2 PHE 64 -15.662 14.246 9.225 524 HZ PHE 64 HZ PHE 64 -14.039 12.878 10.539 525 H ARG 65 H ARG 65 -17.685 12.560 4.831 526 HA ARG 65 HA ARG 65 -18.679 12.364 7.540 527 HB2 ARG 65 HB2 ARG 65 -19.539 13.691 4.921 528 HB3 ARG 65 HB3 ARG 65 -20.505 13.839 6.301 529 HG2 ARG 65 HG2 ARG 65 -17.660 14.755 6.166 530 HG3 ARG 65 HG3 ARG 65 -19.049 15.815 5.989 531 HD2 ARG 65 HD2 ARG 65 -18.603 14.176 8.455 532 HD3 ARG 65 HD3 ARG 65 -17.993 15.825 8.296 533 HE ARG 65 HE ARG 65 -20.490 16.386 7.773 534 HH11 ARG 65 HH11 ARG 65 -19.506 14.069 10.243 535 HH12 ARG 65 HH12 ARG 65 -21.028 14.248 11.087 536 HH21 ARG 65 HH21 ARG 65 -22.295 16.649 8.995 537 HH22 ARG 65 HH22 ARG 65 -22.537 15.681 10.417 538 H PHE 66 H PHE 66 -19.565 11.132 4.561 539 HA PHE 66 HA PHE 66 -22.077 9.831 5.423 540 HB2 PHE 66 HB2 PHE 66 -20.668 9.953 2.749 541 HB3 PHE 66 HB3 PHE 66 -22.136 9.037 3.016 542 HD1 PHE 66 HD1 PHE 66 -24.242 10.243 3.850 543 HD2 PHE 66 HD2 PHE 66 -20.776 12.311 2.346 544 HE1 PHE 66 HE1 PHE 66 -25.634 12.256 3.409 545 HE2 PHE 66 HE2 PHE 66 -22.177 14.294 1.841 546 HZ PHE 66 HZ PHE 66 -24.604 14.284 2.397 547 H GLU 67 H GLU 67 -19.095 8.430 3.952 548 HA GLU 67 HA GLU 67 -20.289 5.737 4.328 549 HB2 GLU 67 HB2 GLU 67 -18.150 6.807 2.445 550 HB3 GLU 67 HB3 GLU 67 -18.674 5.143 2.506 551 HG2 GLU 67 HG2 GLU 67 -20.415 7.541 1.775 552 HG3 GLU 67 HG3 GLU 67 -19.704 6.403 0.643 553 H ASN 68 H ASN 68 -17.205 7.323 4.726 554 HA ASN 68 HA ASN 68 -16.081 4.987 6.197 555 HB2 ASN 68 HB2 ASN 68 -14.649 6.870 4.287 556 HB3 ASN 68 HB3 ASN 68 -13.861 5.633 5.253 557 HD21 ASN 68 HD21 ASN 68 -15.235 6.233 2.221 558 HD22 ASN 68 HD22 ASN 68 -15.361 4.544 1.715 559 H1 GLY 1 H1 GLY 1 -10.986 11.789 32.258 560 H2 GLY 1 H2 GLY 1 -11.476 10.349 32.871 561 H3 GLY 1 H3 GLY 1 -10.913 11.520 33.874 562 HA2 GLY 1 HA2 GLY 1 -13.379 11.696 32.268 563 HA3 GLY 1 HA3 GLY 1 -13.320 11.367 34.010 564 H SER 2 H SER 2 -14.838 13.406 33.321 565 HA SER 2 HA SER 2 -15.314 15.594 33.556 566 HB2 SER 2 HB2 SER 2 -13.046 15.563 35.561 567 HB3 SER 2 HB3 SER 2 -14.384 16.725 35.489 568 HG SER 2 HG SER 2 -14.779 15.037 37.000 569 H HIS 3 H HIS 3 -13.577 15.140 31.330 570 HA HIS 3 HA HIS 3 -11.661 17.308 31.118 571 HB2 HIS 3 HB2 HIS 3 -12.936 15.550 28.998 572 HB3 HIS 3 HB3 HIS 3 -11.522 16.574 28.731 573 HD1 HIS 3 HD1 HIS 3 -9.510 15.838 30.870 574 HD2 HIS 3 HD2 HIS 3 -12.340 13.080 29.422 575 HE1 HIS 3 HE1 HIS 3 -8.668 13.534 31.545 576 H MET 4 H MET 4 -11.831 19.255 30.048 577 HA MET 4 HA MET 4 -14.584 20.310 29.559 578 HB2 MET 4 HB2 MET 4 -11.959 21.748 30.109 579 HB3 MET 4 HB3 MET 4 -13.504 22.535 29.758 580 HG2 MET 4 HG2 MET 4 -14.511 21.458 31.750 581 HG3 MET 4 HG3 MET 4 -12.954 20.713 32.131 582 HE1 MET 4 HE1 MET 4 -13.358 23.369 34.973 583 HE2 MET 4 HE2 MET 4 -14.648 22.416 34.209 584 HE3 MET 4 HE3 MET 4 -13.082 21.658 34.580 585 H ARG 5 H ARG 5 -15.076 21.464 27.664 586 HA ARG 5 HA ARG 5 -13.092 21.458 25.454 587 HB2 ARG 5 HB2 ARG 5 -14.989 19.484 25.633 588 HB3 ARG 5 HB3 ARG 5 -15.878 20.651 24.709 589 HG2 ARG 5 HG2 ARG 5 -13.932 20.781 23.094 590 HG3 ARG 5 HG3 ARG 5 -13.109 19.587 23.975 591 HD2 ARG 5 HD2 ARG 5 -14.165 18.711 21.947 592 HD3 ARG 5 HD3 ARG 5 -14.316 17.813 23.443 593 HE ARG 5 HE ARG 5 -16.630 19.520 22.945 594 HH11 ARG 5 HH11 ARG 5 -15.227 16.416 22.066 595 HH12 ARG 5 HH12 ARG 5 -16.793 15.666 21.902 596 HH21 ARG 5 HH21 ARG 5 -18.597 18.490 22.648 597 HH22 ARG 5 HH22 ARG 5 -18.635 16.819 22.178 598 H MET 6 H MET 6 -13.244 23.140 24.097 599 HA MET 6 HA MET 6 -15.491 24.996 24.465 600 HB2 MET 6 HB2 MET 6 -12.654 25.605 23.622 601 HB3 MET 6 HB3 MET 6 -13.895 26.815 23.972 602 HG2 MET 6 HG2 MET 6 -12.709 24.875 25.985 603 HG3 MET 6 HG3 MET 6 -12.294 26.580 25.826 604 HE1 MET 6 HE1 MET 6 -12.640 26.748 28.461 605 HE2 MET 6 HE2 MET 6 -14.152 26.309 29.287 606 HE3 MET 6 HE3 MET 6 -13.156 25.046 28.532 607 H SER 7 H SER 7 -15.437 22.890 22.515 608 HA SER 7 HA SER 7 -15.385 22.378 20.386 609 HB2 SER 7 HB2 SER 7 -17.324 23.248 19.097 610 HB3 SER 7 HB3 SER 7 -17.716 22.759 20.752 611 HG SER 7 HG SER 7 -17.807 24.901 21.367 612 H LEU 8 H LEU 8 -16.136 25.646 19.139 613 HA LEU 8 HA LEU 8 -13.446 25.677 17.890 614 HB2 LEU 8 HB2 LEU 8 -14.331 26.334 15.824 615 HB3 LEU 8 HB3 LEU 8 -14.767 24.744 16.286 616 HG LEU 8 HG LEU 8 -16.444 27.154 15.683 617 HD11 LEU 8 HD11 LEU 8 -16.114 25.245 14.115 618 HD12 LEU 8 HD12 LEU 8 -17.817 25.489 14.527 619 HD13 LEU 8 HD13 LEU 8 -16.907 24.166 15.290 620 HD21 LEU 8 HD21 LEU 8 -17.589 25.032 17.515 621 HD22 LEU 8 HD22 LEU 8 -18.483 26.321 16.686 622 HD23 LEU 8 HD23 LEU 8 -17.304 26.749 17.925 623 H ILE 9 H ILE 9 -12.735 27.039 19.410 624 HA ILE 9 HA ILE 9 -13.713 29.693 19.797 625 HB ILE 9 HB ILE 9 -10.790 29.028 20.065 626 HG12 ILE 9 HG12 ILE 9 -12.840 27.821 21.957 627 HG13 ILE 9 HG13 ILE 9 -11.813 26.930 20.881 628 HG21 ILE 9 HG21 ILE 9 -12.729 30.445 21.936 629 HG22 ILE 9 HG22 ILE 9 -10.956 30.438 22.044 630 HG23 ILE 9 HG23 ILE 9 -11.743 31.256 20.702 631 HD11 ILE 9 HD11 ILE 9 -9.806 27.934 22.031 632 HD12 ILE 9 HD12 ILE 9 -10.925 28.493 23.301 633 HD13 ILE 9 HD13 ILE 9 -10.757 26.762 22.956 634 H GLY 10 H GLY 10 -11.676 28.200 17.301 635 HA2 GLY 10 HA2 GLY 10 -10.915 29.221 15.293 636 HA3 GLY 10 HA3 GLY 10 -11.264 30.812 15.925 637 H GLU 11 H GLU 11 -9.525 29.004 18.238 638 HA GLU 11 HA GLU 11 -6.826 29.536 17.127 639 HB2 GLU 11 HB2 GLU 11 -6.230 30.260 19.570 640 HB3 GLU 11 HB3 GLU 11 -6.737 31.438 18.344 641 HG2 GLU 11 HG2 GLU 11 -9.047 31.410 19.334 642 HG3 GLU 11 HG3 GLU 11 -8.467 30.309 20.585 643 H ARG 12 H ARG 12 -7.987 28.560 20.349 644 HA ARG 12 HA ARG 12 -7.872 26.641 21.527 645 HB2 ARG 12 HB2 ARG 12 -7.753 24.944 19.095 646 HB3 ARG 12 HB3 ARG 12 -8.563 24.752 20.632 647 HG2 ARG 12 HG2 ARG 12 -10.410 25.174 19.634 648 HG3 ARG 12 HG3 ARG 12 -9.947 26.864 19.727 649 HD2 ARG 12 HD2 ARG 12 -10.656 26.321 17.432 650 HD3 ARG 12 HD3 ARG 12 -8.953 26.742 17.441 651 HE ARG 12 HE ARG 12 -10.125 24.029 17.071 652 HH11 ARG 12 HH11 ARG 12 -7.187 26.006 16.778 653 HH12 ARG 12 HH12 ARG 12 -6.624 24.999 15.492 654 HH21 ARG 12 HH22 ARG 12 -9.046 22.639 15.687 655 HH22 ARG 12 HH21 ARG 12 -7.438 23.049 15.166 656 H PHE 13 H PHE 13 -5.301 27.726 21.372 657 HA PHE 13 HA PHE 13 -3.625 25.273 21.194 658 HB2 PHE 13 HB2 PHE 13 -1.831 26.698 20.371 659 HB3 PHE 13 HB3 PHE 13 -3.240 26.457 19.345 660 HD1 PHE 13 HD2 PHE 13 -1.873 29.010 21.777 661 HD2 PHE 13 HD1 PHE 13 -4.053 28.243 18.138 662 HE1 PHE 13 HE2 PHE 13 -1.978 31.448 21.327 663 HE2 PHE 13 HE1 PHE 13 -4.120 30.683 17.667 664 HZ PHE 13 HZ PHE 13 -3.097 32.289 19.269 665 H THR 14 H THR 14 -2.556 24.683 22.669 666 HA THR 14 HA THR 14 -1.420 24.231 24.441 667 HB THR 14 HB THR 14 0.435 25.362 23.831 668 HG1 THR 14 HG1 THR 14 1.253 26.109 25.766 669 HG21 THR 14 HG21 THR 14 -0.461 27.448 23.016 670 HG22 THR 14 HG22 THR 14 0.873 27.759 24.137 671 HG23 THR 14 HG23 THR 14 -0.805 28.006 24.671 672 H GLU 15 H GLU 15 -2.241 27.495 25.628 673 HA GLU 15 HA GLU 15 -3.510 26.487 28.016 674 HB2 GLU 15 HB2 GLU 15 -3.591 29.166 26.576 675 HB3 GLU 15 HB3 GLU 15 -4.326 28.874 28.166 676 HG2 GLU 15 HG2 GLU 15 -2.084 28.198 29.052 677 HG3 GLU 15 HG3 GLU 15 -1.360 28.622 27.499 678 H GLU 16 H GLU 16 -4.693 27.218 24.778 679 HA GLU 16 HA GLU 16 -7.517 26.778 25.637 680 HB2 GLU 16 HB2 GLU 16 -6.475 27.968 23.060 681 HB3 GLU 16 HB3 GLU 16 -8.144 27.894 23.587 682 HG2 GLU 16 HG2 GLU 16 -5.900 29.521 24.840 683 HG3 GLU 16 HG3 GLU 16 -7.251 30.127 23.896 684 H GLU 17 H GLU 17 -5.113 24.854 24.467 685 HA GLU 17 HA GLU 17 -6.413 23.382 22.417 686 HB2 GLU 17 HB2 GLU 17 -3.958 23.448 23.019 687 HB3 GLU 17 HB3 GLU 17 -4.314 22.351 24.355 688 HG2 GLU 17 HG2 GLU 17 -5.114 20.640 22.684 689 HG3 GLU 17 HG3 GLU 17 -4.825 21.812 21.399 690 H GLN 18 H GLN 18 -7.101 23.239 25.753 691 HA GLN 18 HA GLN 18 -7.762 20.738 26.395 692 HB2 GLN 18 HB2 GLN 18 -9.452 21.244 27.856 693 HB3 GLN 18 HB3 GLN 18 -8.287 22.540 27.891 694 HG2 GLN 18 HG2 GLN 18 -11.023 22.555 26.550 695 HG3 GLN 18 HG3 GLN 18 -10.538 23.323 28.086 696 HE21 GLN 18 HE22 GLN 18 -10.937 23.903 24.758 697 HE22 GLN 18 HE21 GLN 18 -9.773 25.215 24.576 698 H LYS 19 H LYS 19 -9.644 22.551 24.083 699 HA LYS 19 HA LYS 19 -11.720 20.816 23.377 700 HB2 LYS 19 HB2 LYS 19 -11.543 22.998 22.468 701 HB3 LYS 19 HB3 LYS 19 -9.920 22.738 21.985 702 HG2 LYS 19 HG2 LYS 19 -11.713 22.937 20.259 703 HG3 LYS 19 HG3 LYS 19 -10.347 21.807 20.110 704 HD2 LYS 19 HD2 LYS 19 -11.473 20.004 20.039 705 HD3 LYS 19 HD3 LYS 19 -12.680 20.476 21.189 706 HE2 LYS 19 HE2 LYS 19 -13.457 19.945 18.771 707 HE3 LYS 19 HE3 LYS 19 -14.012 21.477 19.417 708 HZ1 LYS 19 HZ1 LYS 19 -13.135 21.663 17.132 709 HZ2 LYS 19 HZ2 LYS 19 -11.625 21.268 17.647 710 HZ3 LYS 19 HZ3 LYS 19 -12.401 22.639 18.185 711 H LEU 20 H LEU 20 -8.501 20.817 21.927 712 HA LEU 20 HA LEU 20 -9.017 18.531 20.208 713 HB2 LEU 20 HB2 LEU 20 -6.432 20.050 20.838 714 HB3 LEU 20 HB3 LEU 20 -6.660 18.965 19.519 715 HG LEU 20 HG LEU 20 -6.727 20.896 18.454 716 HD11 LEU 20 HD11 LEU 20 -9.069 21.336 17.726 717 HD12 LEU 20 HD12 LEU 20 -9.654 20.189 18.940 718 HD13 LEU 20 HD13 LEU 20 -8.582 19.627 17.669 719 HD21 LEU 20 HD21 LEU 20 -6.644 22.355 20.283 720 HD22 LEU 20 HD22 LEU 20 -8.309 22.119 20.747 721 HD23 LEU 20 HD23 LEU 20 -7.936 22.871 19.189 722 H LEU 21 H LEU 21 -7.418 19.249 23.109 723 HA LEU 21 HA LEU 21 -6.051 16.898 23.984 724 HB2 LEU 21 HB2 LEU 21 -5.720 18.936 25.104 725 HB3 LEU 21 HB3 LEU 21 -7.412 19.274 25.121 726 HG LEU 21 HG LEU 21 -6.524 19.113 27.318 727 HD11 LEU 21 HD11 LEU 21 -8.910 18.422 27.139 728 HD12 LEU 21 HD12 LEU 21 -8.030 17.774 28.513 729 HD13 LEU 21 HD13 LEU 21 -8.370 16.725 27.143 730 HD21 LEU 21 HD21 LEU 21 -5.734 17.061 28.283 731 HD22 LEU 21 HD22 LEU 21 -4.797 17.385 26.811 732 HD23 LEU 21 HD23 LEU 21 -6.106 16.154 26.788 733 H LEU 22 H LEU 22 -9.578 17.923 24.350 734 HA LEU 22 HA LEU 22 -10.011 15.489 25.926 735 HB2 LEU 22 HB2 LEU 22 -11.383 17.486 26.242 736 HB3 LEU 22 HB3 LEU 22 -12.001 17.409 24.596 737 HG LEU 22 HG LEU 22 -12.474 15.243 26.696 738 HD11 LEU 22 HD11 LEU 22 -14.614 16.240 27.146 739 HD12 LEU 22 HD12 LEU 22 -14.416 17.408 25.831 740 HD13 LEU 22 HD13 LEU 22 -13.419 17.539 27.292 741 HD21 LEU 22 HD21 LEU 22 -13.835 15.797 24.022 742 HD22 LEU 22 HD22 LEU 22 -14.532 14.761 25.282 743 HD23 LEU 22 HD23 LEU 22 -13.024 14.315 24.523 744 H ASN 23 H ASN 23 -10.687 16.614 22.714 745 HA ASN 23 HA ASN 23 -12.002 14.408 21.574 746 HB2 ASN 23 HB2 ASN 23 -10.401 16.823 20.617 747 HB3 ASN 23 HB3 ASN 23 -11.012 15.735 19.488 748 HD21 ASN 23 HD21 ASN 23 -11.825 18.298 19.544 749 HD22 ASN 23 HD22 ASN 23 -13.495 18.394 20.070 750 H ILE 24 H ILE 24 -8.457 14.921 21.805 751 HA ILE 24 HA ILE 24 -7.992 12.403 20.312 752 HB ILE 24 HB ILE 24 -5.667 12.693 20.683 753 HG12 ILE 24 HG12 ILE 24 -6.409 14.929 22.566 754 HG13 ILE 24 HG13 ILE 24 -5.502 13.483 22.900 755 HG21 ILE 24 HG21 ILE 24 -6.772 13.826 18.801 756 HG22 ILE 24 HG22 ILE 24 -6.865 15.317 19.746 757 HG23 ILE 24 HG23 ILE 24 -5.292 14.632 19.311 758 HD11 ILE 24 HD11 ILE 24 -3.981 15.348 22.836 759 HD12 ILE 24 HD12 ILE 24 -3.650 14.318 21.428 760 HD13 ILE 24 HD13 ILE 24 -4.553 15.844 21.236 761 H LEU 25 H LEU 25 -8.210 13.392 23.714 762 HA LEU 25 HA LEU 25 -7.022 10.988 24.698 763 HB2 LEU 25 HB2 LEU 25 -7.060 13.174 25.836 764 HB3 LEU 25 HB3 LEU 25 -8.805 13.028 26.072 765 HG LEU 25 HG LEU 25 -8.446 11.099 27.574 766 HD11 LEU 25 HD11 LEU 25 -5.489 11.590 26.988 767 HD12 LEU 25 HD12 LEU 25 -6.408 10.109 26.639 768 HD13 LEU 25 HD13 LEU 25 -6.100 10.572 28.315 769 HD21 LEU 25 HD21 LEU 25 -8.403 13.423 28.446 770 HD22 LEU 25 HD22 LEU 25 -6.640 13.465 28.244 771 HD23 LEU 25 HD23 LEU 25 -7.380 12.332 29.400 772 H ILE 26 H ILE 26 -10.345 11.797 23.836 773 HA ILE 26 HA ILE 26 -11.473 9.353 25.000 774 HB ILE 26 HB ILE 26 -13.582 10.037 24.112 775 HG12 ILE 26 HG12 ILE 26 -12.311 12.468 22.812 776 HG13 ILE 26 HG13 ILE 26 -12.653 10.992 21.921 777 HG21 ILE 26 HG21 ILE 26 -12.131 12.365 25.419 778 HG22 ILE 26 HG22 ILE 26 -13.883 12.087 25.395 779 HG23 ILE 26 HG23 ILE 26 -12.820 10.956 26.235 780 HD11 ILE 26 HD11 ILE 26 -14.467 12.548 21.593 781 HD12 ILE 26 HD12 ILE 26 -15.051 11.156 22.530 782 HD13 ILE 26 HD13 ILE 26 -14.724 12.709 23.339 783 H ASN 27 H ASN 27 -13.185 8.317 23.336 784 HA ASN 27 HA ASN 27 -11.661 6.343 22.081 785 HB2 ASN 27 HB2 ASN 27 -13.852 5.448 21.386 786 HB3 ASN 27 HB3 ASN 27 -13.826 5.923 23.080 787 HD21 ASN 27 HD21 ASN 27 -15.326 7.574 23.769 788 HD22 ASN 27 HD22 ASN 27 -16.452 8.287 22.634 789 H HIS 28 H HIS 28 -12.997 9.216 20.480 790 HA HIS 28 HA HIS 28 -11.452 8.461 18.099 791 HB2 HIS 28 HB2 HIS 28 -13.174 8.755 16.502 792 HB3 HIS 28 HB3 HIS 28 -13.778 7.603 17.682 793 HD1 HIS 28 HD1 HIS 28 -15.747 8.581 19.365 794 HD2 HIS 28 HD2 HIS 28 -14.506 11.036 16.179 795 HE1 HIS 28 HE1 HIS 28 -17.523 10.407 19.128 796 H GLU 29 H GLU 29 -10.843 10.130 16.742 797 HA GLU 29 HA GLU 29 -10.241 12.578 18.136 798 HB2 GLU 29 HB2 GLU 29 -9.578 11.600 15.344 799 HB3 GLU 29 HB3 GLU 29 -8.937 13.079 16.078 800 HG2 GLU 29 HG2 GLU 29 -7.887 11.801 17.879 801 HG3 GLU 29 HG3 GLU 29 -8.580 10.298 17.278 802 H TYR 30 H TYR 30 -12.290 13.492 18.473 803 HA TYR 30 HA TYR 30 -14.220 13.768 16.527 804 HB2 TYR 30 HB2 TYR 30 -14.575 13.705 18.944 805 HB3 TYR 30 HB3 TYR 30 -13.844 15.304 19.088 806 HD1 TYR 30 HD2 TYR 30 -16.490 13.781 16.842 807 HD2 TYR 30 HD1 TYR 30 -15.431 16.942 19.575 808 HE1 TYR 30 HE2 TYR 30 -18.708 14.820 16.488 809 HE2 TYR 30 HE1 TYR 30 -17.678 17.953 19.277 810 HH TYR 30 HH TYR 30 -20.157 16.495 17.124 811 H ALA 31 H ALA 31 -12.225 16.627 17.631 812 HA ALA 31 HA ALA 31 -12.905 18.669 16.265 813 HB1 ALA 31 HB1 ALA 31 -10.516 19.180 15.866 814 HB2 ALA 31 HB2 ALA 31 -10.840 18.501 17.484 815 HB3 ALA 31 HB3 ALA 31 -10.114 17.490 16.197 816 H ILE 32 H ILE 32 -11.178 16.021 14.540 817 HA ILE 32 HA ILE 32 -11.150 17.077 11.978 818 HB ILE 32 HB ILE 32 -11.244 14.278 13.075 819 HG12 ILE 32 HG12 ILE 32 -8.904 14.120 12.270 820 HG13 ILE 32 HG13 ILE 32 -8.984 15.793 11.722 821 HG21 ILE 32 HG21 ILE 32 -10.599 13.363 10.937 822 HG22 ILE 32 HG22 ILE 32 -12.164 14.109 10.781 823 HG23 ILE 32 HG23 ILE 32 -10.749 14.999 10.190 824 HD11 ILE 32 HD11 ILE 32 -9.035 16.588 13.993 825 HD12 ILE 32 HD12 ILE 32 -9.445 14.964 14.617 826 HD13 ILE 32 HD13 ILE 32 -7.832 15.282 13.974 827 H GLU 33 H GLU 33 -13.704 15.061 13.438 828 HA GLU 33 HA GLU 33 -15.520 14.799 11.256 829 HB2 GLU 33 HB2 GLU 33 -15.664 13.796 13.603 830 HB3 GLU 33 HB3 GLU 33 -16.308 15.359 14.119 831 HG2 GLU 33 HG2 GLU 33 -18.163 13.935 13.793 832 HG3 GLU 33 HG3 GLU 33 -18.176 15.113 12.488 833 H LEU 34 H LEU 34 -15.091 17.382 13.624 834 HA LEU 34 HA LEU 34 -17.017 19.178 12.575 835 HB2 LEU 34 HB2 LEU 34 -14.474 20.138 13.940 836 HB3 LEU 34 HB3 LEU 34 -16.062 20.868 13.944 837 HG LEU 34 HG LEU 34 -15.153 18.387 15.439 838 HD11 LEU 34 HD11 LEU 34 -14.395 20.583 16.278 839 HD12 LEU 34 HD12 LEU 34 -15.498 19.764 17.414 840 HD13 LEU 34 HD13 LEU 34 -16.084 21.114 16.412 841 HD21 LEU 34 HD21 LEU 34 -17.489 18.040 14.873 842 HD22 LEU 34 HD22 LEU 34 -17.893 19.693 15.438 843 HD23 LEU 34 HD23 LEU 34 -17.294 18.456 16.574 844 H LEU 35 H LEU 35 -13.483 18.889 11.837 845 HA LEU 35 HA LEU 35 -13.226 21.107 10.119 846 HB2 LEU 35 HB2 LEU 35 -11.418 19.528 10.971 847 HB3 LEU 35 HB3 LEU 35 -11.897 18.359 9.766 848 HG LEU 35 HG LEU 35 -10.785 21.121 9.137 849 HD11 LEU 35 HD11 LEU 35 -9.159 19.586 10.276 850 HD12 LEU 35 HD12 LEU 35 -8.727 19.933 8.601 851 HD13 LEU 35 HD13 LEU 35 -9.466 18.372 9.021 852 HD21 LEU 35 HD21 LEU 35 -11.368 18.728 7.366 853 HD22 LEU 35 HD22 LEU 35 -10.300 20.070 6.893 854 HD23 LEU 35 HD23 LEU 35 -11.994 20.384 7.202 855 H SER 36 H SER 36 -14.026 17.688 9.075 856 HA SER 36 HA SER 36 -14.408 18.402 6.357 857 HB2 SER 36 HB2 SER 36 -15.707 16.128 7.873 858 HB3 SER 36 HB3 SER 36 -15.448 16.224 6.115 859 HG SER 36 HG SER 36 -13.827 15.024 7.412 860 H SER 37 H SER 37 -16.757 18.185 9.042 861 HA SER 37 HA SER 37 -19.074 18.611 7.469 862 HB2 SER 37 HB2 SER 37 -18.944 17.814 9.877 863 HB3 SER 37 HB3 SER 37 -18.736 19.512 10.352 864 HG SER 37 HG SER 37 -20.940 18.931 10.381 865 H GLU 38 H GLU 38 -16.852 20.749 9.119 866 HA GLU 38 HA GLU 38 -18.166 23.310 8.741 867 HB2 GLU 38 HB2 GLU 38 -15.371 22.438 9.535 868 HB3 GLU 38 HB3 GLU 38 -15.627 24.093 9.165 869 HG2 GLU 38 HG2 GLU 38 -17.273 22.583 11.243 870 HG3 GLU 38 HG3 GLU 38 -15.821 23.510 11.604 871 H ILE 39 H ILE 39 -15.381 21.826 6.970 872 HA ILE 39 HA ILE 39 -15.077 24.057 5.202 873 HB ILE 39 HB ILE 39 -13.818 22.523 3.759 874 HG12 ILE 39 HG12 ILE 39 -13.209 20.289 5.244 875 HG13 ILE 39 HG13 ILE 39 -14.940 20.420 5.498 876 HG21 ILE 39 HG21 ILE 39 -13.132 22.507 6.724 877 HG22 ILE 39 HG22 ILE 39 -11.970 22.235 5.412 878 HG23 ILE 39 HG23 ILE 39 -12.775 23.805 5.565 879 HD11 ILE 39 HD11 ILE 39 -15.238 20.410 2.984 880 HD12 ILE 39 HD12 ILE 39 -13.478 20.284 2.827 881 HD13 ILE 39 HD13 ILE 39 -14.398 18.967 3.583 882 H ASN 40 H ASN 40 -16.889 20.987 4.849 883 HA ASN 40 HA ASN 40 -17.833 21.838 2.242 884 HB2 ASN 40 HB2 ASN 40 -18.966 19.938 2.021 885 HB3 ASN 40 HB3 ASN 40 -17.768 19.425 3.204 886 HD21 ASN 40 HD21 ASN 40 -18.502 18.933 5.303 887 HD22 ASN 40 HD22 ASN 40 -20.217 18.838 5.695 888 H ASP 41 H ASP 41 -19.148 22.541 5.474 889 HA ASP 41 HA ASP 41 -21.714 23.441 4.448 890 HB2 ASP 41 HB2 ASP 41 -21.185 22.709 6.815 891 HB3 ASP 41 HB3 ASP 41 -20.392 24.270 7.051 892 H ILE 42 H ILE 42 -18.530 24.898 4.719 893 HA ILE 42 HA ILE 42 -19.534 27.598 3.999 894 HB ILE 42 HB ILE 42 -16.779 26.458 4.525 895 HG12 ILE 42 HG12 ILE 42 -16.762 28.406 6.143 896 HG13 ILE 42 HG13 ILE 42 -18.428 28.751 5.705 897 HG21 ILE 42 HG21 ILE 42 -17.413 29.215 3.374 898 HG22 ILE 42 HG22 ILE 42 -15.851 28.728 4.066 899 HG23 ILE 42 HG23 ILE 42 -16.432 27.944 2.604 900 HD11 ILE 42 HD11 ILE 42 -18.427 27.528 7.795 901 HD12 ILE 42 HD12 ILE 42 -19.008 26.396 6.595 902 HD13 ILE 42 HD13 ILE 42 -17.315 26.323 7.133 903 H GLU 43 H GLU 43 -17.705 25.006 2.409 904 HA GLU 43 HA GLU 43 -17.398 26.443 -0.040 905 HB2 GLU 43 HB2 GLU 43 -16.137 24.343 0.934 906 HB3 GLU 43 HB3 GLU 43 -17.339 23.412 0.084 907 HG2 GLU 43 HG2 GLU 43 -15.369 23.665 -1.333 908 HG3 GLU 43 HG3 GLU 43 -16.733 24.489 -2.059 909 H THR 44 H THR 44 -19.734 23.929 0.817 910 HA THR 44 HA THR 44 -21.288 24.552 -1.678 911 HB THR 44 HB THR 44 -20.274 22.380 -1.902 912 HG1 THR 44 HG1 THR 44 -22.273 22.636 -2.823 913 HG21 THR 44 HG21 THR 44 -20.008 21.560 0.329 914 HG22 THR 44 HG22 THR 44 -21.093 20.458 -0.523 915 HG23 THR 44 HG23 THR 44 -21.760 21.624 0.640 916 H GLY 45 H GLY 45 -21.611 23.758 1.826 917 HA2 GLY 45 HA2 GLY 45 -24.430 24.228 1.923 918 HA3 GLY 45 HA3 GLY 45 -23.305 24.408 3.266 919 H THR 46 H THR 46 -21.841 26.514 1.575 920 HA THR 46 HA THR 46 -21.680 28.705 1.348 921 HB THR 46 HB THR 46 -23.394 29.989 0.162 922 HG1 THR 46 HG1 THR 46 -25.194 28.915 -0.621 923 HG21 THR 46 HG21 THR 46 -21.702 28.636 -1.025 924 HG22 THR 46 HG22 THR 46 -23.225 28.744 -1.920 925 HG23 THR 46 HG23 THR 46 -22.819 27.255 -1.042 926 H LYS 47 H LYS 47 -22.033 28.028 3.920 927 HA LYS 47 HA LYS 47 -23.420 30.063 5.431 928 HB2 LYS 47 HB2 LYS 47 -20.705 28.735 5.858 929 HB3 LYS 47 HB3 LYS 47 -21.476 29.786 7.022 930 HG2 LYS 47 HG2 LYS 47 -22.425 27.054 6.112 931 HG3 LYS 47 HG3 LYS 47 -21.766 27.482 7.674 932 HD2 LYS 47 HD2 LYS 47 -24.455 28.365 6.537 933 HD3 LYS 47 HD3 LYS 47 -24.180 27.149 7.780 934 HE2 LYS 47 HE2 LYS 47 -23.183 28.875 9.272 935 HE3 LYS 47 HE3 LYS 47 -23.508 30.113 8.053 936 HZ1 LYS 47 HZ1 LYS 47 -25.270 30.035 9.721 937 HZ2 LYS 47 HZ2 LYS 47 -25.580 28.466 9.406 938 HZ3 LYS 47 HZ3 LYS 47 -25.889 29.604 8.275 939 H ASN 48 H ASN 48 -22.818 32.174 6.003 940 HA ASN 48 HA ASN 48 -20.660 33.485 4.432 941 HB2 ASN 48 HB2 ASN 48 -22.765 33.472 3.086 942 HB3 ASN 48 HB3 ASN 48 -23.600 34.300 4.401 943 HD21 ASN 48 HD21 ASN 48 -23.963 35.749 2.383 944 HD22 ASN 48 HD22 ASN 48 -22.773 37.025 2.167 945 H VAL 49 H VAL 49 -19.496 34.652 5.757 946 HA VAL 49 HA VAL 49 -20.488 36.580 7.647 947 HB VAL 49 HB VAL 49 -20.831 34.662 9.067 948 HG11 VAL 49 HG11 VAL 49 -17.938 33.903 8.613 949 HG12 VAL 49 HG12 VAL 49 -19.048 33.144 9.780 950 HG13 VAL 49 HG13 VAL 49 -19.364 33.000 8.049 951 HG21 VAL 49 HG21 VAL 49 -19.565 35.147 11.017 952 HG22 VAL 49 HG22 VAL 49 -18.252 35.875 10.093 953 HG23 VAL 49 HG23 VAL 49 -19.845 36.683 10.176 954 H ASP 50 H ASP 50 -18.560 37.603 8.784 955 HA ASP 50 HA ASP 50 -16.288 38.195 7.086 956 HB2 ASP 50 HB2 ASP 50 -17.491 39.657 8.819 957 HB3 ASP 50 HB3 ASP 50 -16.698 38.689 10.059 958 H GLY 51 H GLY 51 -14.045 38.083 8.615 959 HA2 GLY 51 HA2 GLY 51 -12.885 35.693 8.220 960 HA3 GLY 51 HA3 GLY 51 -12.341 36.793 9.468 961 H THR 52 H THR 52 -15.224 35.932 10.693 962 HA THR 52 HA THR 52 -14.337 34.255 12.781 963 HB THR 52 HB THR 52 -17.072 34.387 11.435 964 HG1 THR 52 HG1 THR 52 -16.036 35.857 13.633 965 HG21 THR 52 HG21 THR 52 -16.279 33.579 14.255 966 HG22 THR 52 HG22 THR 52 -16.871 32.482 12.986 967 HG23 THR 52 HG23 THR 52 -17.946 33.736 13.632 968 H THR 53 H THR 53 -16.296 33.092 9.908 969 HA THR 53 HA THR 53 -15.723 30.392 10.535 970 HB THR 53 HB THR 53 -17.704 31.326 9.320 971 HG1 THR 53 HG1 THR 53 -17.962 29.433 8.262 972 HG21 THR 53 HG21 THR 53 -16.005 31.002 6.805 973 HG22 THR 53 HG22 THR 53 -16.423 32.583 7.503 974 HG23 THR 53 HG23 THR 53 -17.701 31.501 6.917 975 H TYR 54 H TYR 54 -14.139 32.598 8.284 976 HA TYR 54 HA TYR 54 -12.320 30.883 6.935 977 HB2 TYR 54 HB2 TYR 54 -11.952 33.672 8.124 978 HB3 TYR 54 HB3 TYR 54 -10.749 32.876 7.157 979 HD1 TYR 54 HD2 TYR 54 -14.244 34.258 7.006 980 HD2 TYR 54 HD1 TYR 54 -10.846 32.786 4.788 981 HE1 TYR 54 HE2 TYR 54 -15.270 35.079 4.898 982 HE2 TYR 54 HE1 TYR 54 -11.876 33.608 2.674 983 HH TYR 54 HH TYR 54 -13.664 34.678 1.714 984 H LYS 55 H LYS 55 -11.850 32.680 10.043 985 HA LYS 55 HA LYS 55 -9.504 31.473 10.741 986 HB2 LYS 55 HB2 LYS 55 -10.372 33.620 11.537 987 HB3 LYS 55 HB3 LYS 55 -11.621 32.841 12.430 988 HG2 LYS 55 HG2 LYS 55 -9.804 32.978 14.093 989 HG3 LYS 55 HG3 LYS 55 -9.434 31.435 13.405 990 HD2 LYS 55 HD2 LYS 55 -8.217 32.869 11.502 991 HD3 LYS 55 HD3 LYS 55 -8.165 34.098 12.756 992 HE2 LYS 55 HE2 LYS 55 -7.099 32.457 14.336 993 HE3 LYS 55 HE3 LYS 55 -7.066 31.262 13.036 994 HZ1 LYS 55 HZ1 LYS 55 -4.942 32.435 13.212 995 HZ2 LYS 55 HZ2 LYS 55 -5.656 33.883 12.984 996 HZ3 LYS 55 HZ3 LYS 55 -5.625 32.789 11.770 997 H LYS 56 H LYS 56 -12.811 30.440 11.719 998 HA LYS 56 HA LYS 56 -12.014 28.239 13.311 999 HB2 LYS 56 HB2 LYS 56 -14.484 28.798 11.707 1000 HB3 LYS 56 HB3 LYS 56 -14.207 27.169 12.322 1001 HG2 LYS 56 HG2 LYS 56 -15.482 28.247 13.963 1002 HG3 LYS 56 HG3 LYS 56 -13.841 28.138 14.616 1003 HD2 LYS 56 HD2 LYS 56 -13.491 30.551 14.006 1004 HD3 LYS 56 HD3 LYS 56 -15.202 30.620 13.488 1005 HE2 LYS 56 HE2 LYS 56 -15.943 29.976 15.718 1006 HE3 LYS 56 HE3 LYS 56 -14.282 29.677 16.227 1007 HZ1 LYS 56 HZ1 LYS 56 -15.370 32.352 15.551 1008 HZ2 LYS 56 HZ2 LYS 56 -13.824 32.053 16.022 1009 HZ3 LYS 56 HZ3 LYS 56 -15.055 31.801 17.052 1010 H LEU 57 H LEU 57 -12.474 28.125 9.714 1011 HA LEU 57 HA LEU 57 -11.539 25.356 9.837 1012 HB2 LEU 57 HB2 LEU 57 -12.132 25.073 7.728 1013 HB3 LEU 57 HB3 LEU 57 -13.403 26.020 8.468 1014 HG LEU 57 HG LEU 57 -12.203 28.092 7.334 1015 HD11 LEU 57 HD11 LEU 57 -11.269 25.793 5.551 1016 HD12 LEU 57 HD12 LEU 57 -10.225 26.955 6.395 1017 HD13 LEU 57 HD13 LEU 57 -11.269 27.506 5.094 1018 HD21 LEU 57 HD21 LEU 57 -14.470 27.307 6.810 1019 HD22 LEU 57 HD22 LEU 57 -13.808 26.063 5.726 1020 HD23 LEU 57 HD23 LEU 57 -13.616 27.788 5.340 1021 H VAL 58 H VAL 58 -9.914 28.395 9.108 1022 HA VAL 58 HA VAL 58 -7.539 26.957 8.197 1023 HB VAL 58 HB VAL 58 -8.236 29.291 7.511 1024 HG11 VAL 58 HG11 VAL 58 -6.664 30.260 9.920 1025 HG12 VAL 58 HG12 VAL 58 -7.712 31.173 8.796 1026 HG13 VAL 58 HG13 VAL 58 -8.409 30.042 9.963 1027 HG21 VAL 58 HG21 VAL 58 -5.960 30.033 7.151 1028 HG22 VAL 58 HG22 VAL 58 -5.368 28.932 8.411 1029 HG23 VAL 58 HG23 VAL 58 -6.070 28.281 6.905 1030 H THR 59 H THR 59 -8.839 27.829 11.316 1031 HA THR 59 HA THR 59 -6.314 27.419 12.722 1032 HB THR 59 HB THR 59 -8.221 28.793 13.612 1033 HG1 THR 59 HG1 THR 59 -6.484 28.351 14.865 1034 HG21 THR 59 HG21 THR 59 -10.130 27.650 13.683 1035 HG22 THR 59 HG22 THR 59 -9.591 27.299 15.311 1036 HG23 THR 59 HG23 THR 59 -9.464 26.080 14.022 1037 H LEU 60 H LEU 60 -9.089 25.443 11.815 1038 HA LEU 60 HA LEU 60 -8.518 23.018 13.097 1039 HB2 LEU 60 HB2 LEU 60 -9.756 23.630 10.486 1040 HB3 LEU 60 HB3 LEU 60 -9.050 22.030 10.607 1041 HG LEU 60 HG LEU 60 -11.359 21.965 11.149 1042 HD11 LEU 60 HD11 LEU 60 -11.369 20.644 13.082 1043 HD12 LEU 60 HD12 LEU 60 -9.930 21.430 13.766 1044 HD13 LEU 60 HD13 LEU 60 -9.797 20.369 12.350 1045 HD21 LEU 60 HD21 LEU 60 -10.746 23.900 13.366 1046 HD22 LEU 60 HD22 LEU 60 -12.268 22.962 13.210 1047 HD23 LEU 60 HD23 LEU 60 -11.798 24.106 11.948 1048 H TYR 61 H TYR 61 -7.029 24.008 10.004 1049 HA TYR 61 HA TYR 61 -5.029 21.881 10.179 1050 HB2 TYR 61 HB2 TYR 61 -4.375 22.337 8.145 1051 HB3 TYR 61 HB3 TYR 61 -5.757 23.444 8.060 1052 HD1 TYR 61 HD2 TYR 61 -2.091 23.082 8.288 1053 HD2 TYR 61 HD1 TYR 61 -5.316 25.923 8.147 1054 HE1 TYR 61 HE2 TYR 61 -0.475 24.867 7.744 1055 HE2 TYR 61 HE1 TYR 61 -3.668 27.738 7.678 1056 HH TYR 61 HH TYR 61 -1.464 28.289 7.376 1057 H ASP 62 H ASP 62 -5.016 25.235 11.119 1058 HA ASP 62 HA ASP 62 -2.294 25.619 11.728 1059 HB2 ASP 62 HB2 ASP 62 -4.048 27.416 11.877 1060 HB3 ASP 62 HB3 ASP 62 -4.537 26.707 13.433 1061 H ARG 63 H ARG 63 -4.655 23.689 13.596 1062 HA ARG 63 HA ARG 63 -2.247 22.832 15.197 1063 HB2 ARG 63 HB2 ARG 63 -5.055 22.862 16.317 1064 HB3 ARG 63 HB3 ARG 63 -3.575 22.365 17.159 1065 HG2 ARG 63 HG2 ARG 63 -4.227 25.183 16.308 1066 HG3 ARG 63 HG3 ARG 63 -4.190 24.464 17.938 1067 HD2 ARG 63 HD2 ARG 63 -2.018 24.536 18.187 1068 HD3 ARG 63 HD3 ARG 63 -1.628 24.204 16.511 1069 HE ARG 63 HE ARG 63 -2.549 26.640 16.117 1070 HH11 ARG 63 HH11 ARG 63 -0.167 25.665 18.519 1071 HH12 ARG 63 HH12 ARG 63 0.663 27.189 18.368 1072 HH21 ARG 63 HH21 ARG 63 -1.510 28.363 15.948 1073 HH22 ARG 63 HH22 ARG 63 -0.107 28.756 16.947 1074 H PHE 64 H PHE 64 -4.821 21.543 13.254 1075 HA PHE 64 HA PHE 64 -4.369 18.803 14.089 1076 HB2 PHE 64 HB2 PHE 64 -6.410 19.342 12.993 1077 HB3 PHE 64 HB3 PHE 64 -5.550 20.111 11.655 1078 HD1 PHE 64 HD1 PHE 64 -6.354 16.799 13.200 1079 HD2 PHE 64 HD2 PHE 64 -4.690 18.859 9.830 1080 HE1 PHE 64 HE1 PHE 64 -6.295 14.660 11.914 1081 HE2 PHE 64 HE2 PHE 64 -4.566 16.754 8.557 1082 HZ PHE 64 HZ PHE 64 -5.349 14.620 9.615 1083 H ARG 65 H ARG 65 -3.015 20.739 11.296 1084 HA ARG 65 HA ARG 65 -1.456 18.535 10.270 1085 HB2 ARG 65 HB2 ARG 65 -1.636 21.560 9.847 1086 HB3 ARG 65 HB3 ARG 65 -0.459 20.679 9.015 1087 HG2 ARG 65 HG2 ARG 65 -3.400 20.206 8.815 1088 HG3 ARG 65 HG3 ARG 65 -2.440 21.050 7.607 1089 HD2 ARG 65 HD2 ARG 65 -1.915 18.169 8.342 1090 HD3 ARG 65 HD3 ARG 65 -3.046 18.630 7.087 1091 HE ARG 65 HE ARG 65 -1.314 19.357 5.690 1092 HH11 ARG 65 HH11 ARG 65 0.229 18.237 8.667 1093 HH12 ARG 65 HH12 ARG 65 1.727 17.984 7.830 1094 HH21 ARG 65 HH21 ARG 65 0.519 18.979 4.764 1095 HH22 ARG 65 HH22 ARG 65 1.914 18.431 5.671 1096 H PHE 66 H PHE 66 -0.913 21.094 12.327 1097 HA PHE 66 HA PHE 66 1.991 20.600 12.710 1098 HB2 PHE 66 HB2 PHE 66 0.186 22.815 13.704 1099 HB3 PHE 66 HB3 PHE 66 1.887 22.695 14.097 1100 HD1 PHE 66 HD2 PHE 66 3.490 22.293 11.924 1101 HD2 PHE 66 HD1 PHE 66 -0.365 24.223 11.902 1102 HE1 PHE 66 HE2 PHE 66 4.105 23.503 9.845 1103 HE2 PHE 66 HE1 PHE 66 0.278 25.484 9.872 1104 HZ PHE 66 HZ PHE 66 2.502 25.105 8.815 1105 H GLU 67 H GLU 67 -0.670 20.991 15.135 1106 HA GLU 67 HA GLU 67 1.332 20.289 17.199 1107 HB2 GLU 67 HB2 GLU 67 -1.300 21.863 17.257 1108 HB3 GLU 67 HB3 GLU 67 -0.491 21.305 18.699 1109 HG2 GLU 67 HG2 GLU 67 0.752 23.092 16.559 1110 HG3 GLU 67 HG3 GLU 67 0.094 23.633 18.096 1111 H ASN 68 H ASN 68 -1.812 19.212 16.253 1112 HA ASN 68 HA ASN 68 -1.790 17.015 18.266 1113 HB2 ASN 68 HB2 ASN 68 -4.196 18.522 17.168 1114 HB3 ASN 68 HB3 ASN 68 -4.281 17.125 18.227 1115 HD21 ASN 68 HD21 ASN 68 -3.362 20.496 18.053 1116 HD22 ASN 68 HD22 ASN 68 -3.173 20.730 19.799 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -3.798 -11.232 -1.286 2 H2 GLY 1 H2 GLY 1 -2.208 -11.532 -1.532 3 H3 GLY 1 H3 GLY 1 -3.325 -12.137 -2.568 4 HA2 GLY 1 HA2 GLY 1 -2.219 -10.264 -3.581 5 HA3 GLY 1 HA3 GLY 1 -3.937 -9.931 -3.304 6 H SER 2 H SER 2 -3.045 -7.679 -3.535 7 HA SER 2 HA SER 2 -2.549 -6.480 -0.881 8 HB2 SER 2 HB2 SER 2 -0.660 -5.139 -1.705 9 HB3 SER 2 HB3 SER 2 -0.294 -6.868 -1.736 10 HG SER 2 HG SER 2 0.355 -5.822 -3.672 11 H HIS 3 H HIS 3 -2.650 -4.075 -0.977 12 HA HIS 3 HA HIS 3 -4.578 -3.083 -3.031 13 HB2 HIS 3 HB2 HIS 3 -4.560 -2.662 -0.031 14 HB3 HIS 3 HB3 HIS 3 -5.556 -1.688 -1.108 15 HD1 HIS 3 HD1 HIS 3 -5.971 -4.544 1.028 16 HD2 HIS 3 HD2 HIS 3 -6.910 -3.762 -2.996 17 HE1 HIS 3 HE1 HIS 3 -7.763 -6.231 0.374 18 H MET 4 H MET 4 -4.496 -0.928 -3.596 19 HA MET 4 HA MET 4 -1.903 0.493 -3.185 20 HB2 MET 4 HB2 MET 4 -1.950 -0.976 -5.245 21 HB3 MET 4 HB3 MET 4 -3.290 0.000 -5.854 22 HG2 MET 4 HG2 MET 4 -1.814 1.993 -5.884 23 HG3 MET 4 HG3 MET 4 -0.517 1.045 -5.148 24 HE1 MET 4 HE1 MET 4 -2.004 0.758 -9.528 25 HE2 MET 4 HE2 MET 4 -3.061 0.287 -8.182 26 HE3 MET 4 HE3 MET 4 -2.515 1.974 -8.338 27 H ARG 5 H ARG 5 -2.038 2.808 -3.886 28 HA ARG 5 HA ARG 5 -4.761 3.932 -3.369 29 HB2 ARG 5 HB2 ARG 5 -2.411 4.147 -1.830 30 HB3 ARG 5 HB3 ARG 5 -2.497 5.672 -2.663 31 HG2 ARG 5 HG2 ARG 5 -4.795 6.040 -1.864 32 HG3 ARG 5 HG3 ARG 5 -4.854 4.518 -1.118 33 HD2 ARG 5 HD2 ARG 5 -4.481 6.366 0.462 34 HD3 ARG 5 HD3 ARG 5 -3.533 4.900 0.634 35 HE ARG 5 HE ARG 5 -2.113 6.947 -0.885 36 HH11 ARG 5 HH12 ARG 5 -2.942 6.012 2.396 37 HH12 ARG 5 HH11 ARG 5 -1.470 6.682 3.048 38 HH21 ARG 5 HH21 ARG 5 -0.258 7.806 0.039 39 HH22 ARG 5 HH22 ARG 5 -0.005 7.668 1.751 40 H MET 6 H MET 6 -5.438 5.748 -4.361 41 HA MET 6 HA MET 6 -3.765 6.863 -6.531 42 HB2 MET 6 HB2 MET 6 -6.773 6.627 -6.409 43 HB3 MET 6 HB3 MET 6 -5.855 7.231 -7.789 44 HG2 MET 6 HG2 MET 6 -5.738 4.403 -6.681 45 HG3 MET 6 HG3 MET 6 -6.626 4.901 -8.119 46 HE1 MET 6 HE1 MET 6 -4.606 6.829 -9.708 47 HE2 MET 6 HE2 MET 6 -3.838 5.613 -10.747 48 HE3 MET 6 HE3 MET 6 -5.582 5.521 -10.419 49 H SER 7 H SER 7 -4.145 7.765 -3.727 50 HA SER 7 HA SER 7 -4.598 9.432 -2.459 51 HB2 SER 7 HB2 SER 7 -3.382 11.539 -2.930 52 HB3 SER 7 HB3 SER 7 -2.430 10.074 -3.227 53 HG SER 7 HG SER 7 -2.158 11.551 -4.923 54 H LEU 8 H LEU 8 -5.101 11.726 -5.174 55 HA LEU 8 HA LEU 8 -7.964 11.898 -4.353 56 HB2 LEU 8 HB2 LEU 8 -6.333 14.436 -4.646 57 HB3 LEU 8 HB3 LEU 8 -7.986 14.251 -4.177 58 HG LEU 8 HG LEU 8 -5.854 12.949 -2.440 59 HD11 LEU 8 HD11 LEU 8 -5.869 14.888 -1.010 60 HD12 LEU 8 HD12 LEU 8 -6.769 15.814 -2.246 61 HD13 LEU 8 HD13 LEU 8 -5.117 15.212 -2.575 62 HD21 LEU 8 HD21 LEU 8 -8.632 14.083 -2.014 63 HD22 LEU 8 HD22 LEU 8 -7.634 13.287 -0.762 64 HD23 LEU 8 HD23 LEU 8 -8.238 12.362 -2.162 65 H ILE 9 H ILE 9 -8.440 10.744 -6.159 66 HA ILE 9 HA ILE 9 -7.930 11.601 -8.833 67 HB ILE 9 HB ILE 9 -10.449 10.118 -8.087 68 HG12 ILE 9 HG12 ILE 9 -7.696 8.874 -7.806 69 HG13 ILE 9 HG13 ILE 9 -8.835 9.097 -6.550 70 HG21 ILE 9 HG21 ILE 9 -9.849 10.616 -10.465 71 HG22 ILE 9 HG22 ILE 9 -8.383 9.635 -10.269 72 HG23 ILE 9 HG23 ILE 9 -9.993 8.894 -10.141 73 HD11 ILE 9 HD11 ILE 9 -8.999 6.836 -7.105 74 HD12 ILE 9 HD12 ILE 9 -10.455 7.603 -7.762 75 HD13 ILE 9 HD13 ILE 9 -9.106 7.163 -8.845 76 H GLY 10 H GLY 10 -10.373 12.440 -6.440 77 HA2 GLY 10 HA2 GLY 10 -11.686 14.450 -6.442 78 HA3 GLY 10 HA3 GLY 10 -11.511 14.592 -8.181 79 H GLU 11 H GLU 11 -12.176 11.384 -7.365 80 HA GLU 11 HA GLU 11 -15.094 11.630 -7.029 81 HB2 GLU 11 HB2 GLU 11 -15.223 9.511 -8.565 82 HB3 GLU 11 HB3 GLU 11 -15.369 11.146 -9.234 83 HG2 GLU 11 HG2 GLU 11 -13.004 11.056 -9.984 84 HG3 GLU 11 HG3 GLU 11 -12.850 9.431 -9.317 85 H ARG 12 H ARG 12 -12.787 8.973 -7.608 86 HA ARG 12 HA ARG 12 -12.284 7.100 -6.442 87 HB2 ARG 12 HB2 ARG 12 -12.622 8.405 -3.801 88 HB3 ARG 12 HB3 ARG 12 -11.489 7.235 -4.379 89 HG2 ARG 12 HG2 ARG 12 -9.891 8.640 -4.685 90 HG3 ARG 12 HG3 ARG 12 -10.824 9.663 -5.756 91 HD2 ARG 12 HD2 ARG 12 -10.571 9.720 -2.724 92 HD3 ARG 12 HD3 ARG 12 -10.106 10.999 -3.855 93 HE ARG 12 HE ARG 12 -12.772 10.876 -4.315 94 HH11 ARG 12 HH11 ARG 12 -11.251 10.979 -1.145 95 HH12 ARG 12 HH12 ARG 12 -12.783 11.289 -0.374 96 HH21 ARG 12 HH21 ARG 12 -14.417 11.787 -3.328 97 HH22 ARG 12 HH22 ARG 12 -14.515 11.883 -1.619 98 H PHE 13 H PHE 13 -14.837 7.240 -7.256 99 HA PHE 13 HA PHE 13 -16.916 6.514 -5.418 100 HB2 PHE 13 HB2 PHE 13 -16.379 5.862 -8.348 101 HB3 PHE 13 HB3 PHE 13 -17.895 5.591 -7.536 102 HD1 PHE 13 HD1 PHE 13 -17.296 8.561 -6.015 103 HD2 PHE 13 HD2 PHE 13 -17.760 7.063 -10.036 104 HE1 PHE 13 HE1 PHE 13 -18.096 10.788 -6.764 105 HE2 PHE 13 HE2 PHE 13 -18.523 9.307 -10.780 106 HZ PHE 13 HZ PHE 13 -18.697 11.170 -9.140 107 H THR 14 H THR 14 -17.957 4.307 -5.408 108 HA THR 14 HA THR 14 -16.611 2.450 -4.085 109 HB THR 14 HB THR 14 -19.009 2.440 -4.471 110 HG1 THR 14 HG1 THR 14 -18.166 0.649 -3.510 111 HG21 THR 14 HG21 THR 14 -20.068 1.308 -6.297 112 HG22 THR 14 HG22 THR 14 -18.516 0.860 -7.021 113 HG23 THR 14 HG23 THR 14 -19.030 2.565 -6.985 114 H GLU 15 H GLU 15 -16.550 2.185 -7.711 115 HA GLU 15 HA GLU 15 -14.773 -0.131 -7.620 116 HB2 GLU 15 HB2 GLU 15 -15.506 1.755 -9.893 117 HB3 GLU 15 HB3 GLU 15 -14.552 0.275 -10.061 118 HG2 GLU 15 HG2 GLU 15 -16.476 -1.040 -9.135 119 HG3 GLU 15 HG3 GLU 15 -17.445 0.436 -9.123 120 H GLU 16 H GLU 16 -14.267 3.307 -7.795 121 HA GLU 16 HA GLU 16 -11.318 3.117 -8.095 122 HB2 GLU 16 HB2 GLU 16 -13.090 5.582 -7.987 123 HB3 GLU 16 HB3 GLU 16 -11.386 5.525 -8.406 124 HG2 GLU 16 HG2 GLU 16 -13.699 4.398 -10.031 125 HG3 GLU 16 HG3 GLU 16 -12.728 5.813 -10.401 126 H GLU 17 H GLU 17 -13.340 2.783 -5.610 127 HA GLU 17 HA GLU 17 -12.455 4.538 -3.636 128 HB2 GLU 17 HB2 GLU 17 -14.522 3.130 -3.725 129 HB3 GLU 17 HB3 GLU 17 -13.552 1.739 -3.219 130 HG2 GLU 17 HG2 GLU 17 -13.015 3.023 -1.090 131 HG3 GLU 17 HG3 GLU 17 -14.099 4.296 -1.658 132 H GLN 18 H GLN 18 -10.775 1.837 -4.688 133 HA GLN 18 HA GLN 18 -9.270 0.743 -2.849 134 HB2 GLN 18 HB2 GLN 18 -7.372 0.408 -4.171 135 HB3 GLN 18 HB3 GLN 18 -8.707 0.462 -5.301 136 HG2 GLN 18 HG2 GLN 18 -6.706 2.698 -4.799 137 HG3 GLN 18 HG3 GLN 18 -6.746 1.535 -6.142 138 HE21 GLN 18 HE22 GLN 18 -7.717 4.624 -5.206 139 HE22 GLN 18 HE21 GLN 18 -9.151 4.782 -6.232 140 H LYS 19 H LYS 19 -8.778 4.061 -3.623 141 HA LYS 19 HA LYS 19 -6.680 4.816 -1.878 142 HB2 LYS 19 HB2 LYS 19 -7.571 6.342 -3.512 143 HB3 LYS 19 HB3 LYS 19 -9.164 6.079 -2.965 144 HG2 LYS 19 HG2 LYS 19 -8.036 8.300 -2.550 145 HG3 LYS 19 HG3 LYS 19 -9.162 7.527 -1.413 146 HD2 LYS 19 HD2 LYS 19 -7.843 7.390 0.243 147 HD3 LYS 19 HD3 LYS 19 -6.437 6.935 -0.671 148 HE2 LYS 19 HE2 LYS 19 -6.159 9.062 0.628 149 HE3 LYS 19 HE3 LYS 19 -5.901 9.279 -1.094 150 HZ1 LYS 19 HZ1 LYS 19 -7.313 11.009 -0.026 151 HZ2 LYS 19 HZ2 LYS 19 -8.512 9.906 0.189 152 HZ3 LYS 19 HZ3 LYS 19 -7.970 10.297 -1.331 153 H LEU 20 H LEU 20 -10.142 4.933 -1.170 154 HA LEU 20 HA LEU 20 -9.806 5.740 1.593 155 HB2 LEU 20 HB2 LEU 20 -12.298 4.757 0.114 156 HB3 LEU 20 HB3 LEU 20 -12.274 5.608 1.605 157 HG LEU 20 HG LEU 20 -12.977 7.198 0.254 158 HD11 LEU 20 HD11 LEU 20 -9.973 7.661 0.499 159 HD12 LEU 20 HD12 LEU 20 -11.260 8.133 1.609 160 HD13 LEU 20 HD13 LEU 20 -11.154 8.877 -0.001 161 HD21 LEU 20 HD21 LEU 20 -12.139 7.716 -1.908 162 HD22 LEU 20 HD22 LEU 20 -12.690 6.040 -1.809 163 HD23 LEU 20 HD23 LEU 20 -10.959 6.390 -1.871 164 H LEU 21 H LEU 21 -10.469 2.835 -0.182 165 HA LEU 21 HA LEU 21 -10.882 0.956 1.970 166 HB2 LEU 21 HB2 LEU 21 -11.327 -0.303 0.173 167 HB3 LEU 21 HB3 LEU 21 -10.520 0.806 -0.912 168 HG LEU 21 HG LEU 21 -8.357 -0.275 -0.503 169 HD11 LEU 21 HD11 LEU 21 -8.387 -1.454 1.647 170 HD12 LEU 21 HD12 LEU 21 -8.540 -2.734 0.498 171 HD13 LEU 21 HD13 LEU 21 -9.992 -2.135 1.312 172 HD21 LEU 21 HD21 LEU 21 -10.169 -2.503 -1.239 173 HD22 LEU 21 HD22 LEU 21 -8.497 -2.050 -1.711 174 HD23 LEU 21 HD23 LEU 21 -9.888 -1.109 -2.298 175 H LEU 22 H LEU 22 -7.802 2.162 0.291 176 HA LEU 22 HA LEU 22 -6.476 -0.024 1.540 177 HB2 LEU 22 HB2 LEU 22 -5.403 0.830 -0.378 178 HB3 LEU 22 HB3 LEU 22 -5.415 2.494 0.218 179 HG LEU 22 HG LEU 22 -3.710 1.906 1.929 180 HD11 LEU 22 HD11 LEU 22 -3.519 -0.793 0.546 181 HD12 LEU 22 HD12 LEU 22 -4.242 -0.555 2.154 182 HD13 LEU 22 HD13 LEU 22 -2.530 -0.208 1.889 183 HD21 LEU 22 HD21 LEU 22 -2.934 1.100 -0.890 184 HD22 LEU 22 HD22 LEU 22 -1.823 1.600 0.405 185 HD23 LEU 22 HD23 LEU 22 -3.001 2.751 -0.235 186 H ASN 23 H ASN 23 -6.815 3.374 2.067 187 HA ASN 23 HA ASN 23 -5.437 4.055 4.403 188 HB2 ASN 23 HB2 ASN 23 -7.853 5.063 2.847 189 HB3 ASN 23 HB3 ASN 23 -7.458 5.812 4.303 190 HD21 ASN 23 HD21 ASN 23 -7.366 7.172 2.019 191 HD22 ASN 23 HD22 ASN 23 -5.704 7.519 1.570 192 H ILE 24 H ILE 24 -8.788 2.658 4.265 193 HA ILE 24 HA ILE 24 -8.919 2.873 7.214 194 HB ILE 24 HB ILE 24 -10.933 1.675 7.200 195 HG12 ILE 24 HG12 ILE 24 -10.489 1.157 4.271 196 HG13 ILE 24 HG13 ILE 24 -10.562 -0.015 5.551 197 HG21 ILE 24 HG21 ILE 24 -11.017 3.808 5.050 198 HG22 ILE 24 HG22 ILE 24 -12.345 3.296 6.102 199 HG23 ILE 24 HG23 ILE 24 -10.937 4.098 6.793 200 HD11 ILE 24 HD11 ILE 24 -12.633 -0.093 4.329 201 HD12 ILE 24 HD12 ILE 24 -12.975 0.593 5.932 202 HD13 ILE 24 HD13 ILE 24 -12.882 1.651 4.500 203 H LEU 25 H LEU 25 -7.846 0.491 4.881 204 HA LEU 25 HA LEU 25 -7.913 -1.709 6.691 205 HB2 LEU 25 HB2 LEU 25 -8.154 -1.824 4.234 206 HB3 LEU 25 HB3 LEU 25 -6.477 -1.323 4.042 207 HG LEU 25 HG LEU 25 -5.721 -3.407 5.200 208 HD11 LEU 25 HD11 LEU 25 -8.683 -4.139 5.070 209 HD12 LEU 25 HD12 LEU 25 -7.712 -3.938 6.547 210 HD13 LEU 25 HD13 LEU 25 -7.360 -5.269 5.442 211 HD21 LEU 25 HD21 LEU 25 -7.554 -3.837 2.813 212 HD22 LEU 25 HD22 LEU 25 -6.224 -4.904 3.334 213 HD23 LEU 25 HD23 LEU 25 -5.867 -3.262 2.756 214 H ILE 26 H ILE 26 -5.440 0.656 5.866 215 HA ILE 26 HA ILE 26 -3.311 -0.608 7.438 216 HB ILE 26 HB ILE 26 -1.954 1.308 6.843 217 HG12 ILE 26 HG12 ILE 26 -4.394 2.420 5.402 218 HG13 ILE 26 HG13 ILE 26 -3.690 3.130 6.822 219 HG21 ILE 26 HG21 ILE 26 -1.771 0.812 4.498 220 HG22 ILE 26 HG22 ILE 26 -2.230 -0.663 5.349 221 HG23 ILE 26 HG23 ILE 26 -3.451 0.233 4.425 222 HD11 ILE 26 HD11 ILE 26 -2.952 4.406 4.962 223 HD12 ILE 26 HD12 ILE 26 -1.549 3.488 5.547 224 HD13 ILE 26 HD13 ILE 26 -2.416 2.973 4.076 225 H ASN 27 H ASN 27 -2.641 2.303 8.374 226 HA ASN 27 HA ASN 27 -3.361 2.051 11.112 227 HB2 ASN 27 HB2 ASN 27 -2.293 4.457 9.564 228 HB3 ASN 27 HB3 ASN 27 -2.194 4.212 11.303 229 HD21 ASN 27 HD21 ASN 27 -0.635 3.531 8.256 230 HD22 ASN 27 HD22 ASN 27 0.606 2.504 8.943 231 H HIS 28 H HIS 28 -5.599 2.562 8.972 232 HA HIS 28 HA HIS 28 -7.649 3.279 8.858 233 HB2 HIS 28 HB2 HIS 28 -7.578 4.215 11.710 234 HB3 HIS 28 HB3 HIS 28 -8.966 3.698 10.766 235 HD1 HIS 28 HD1 HIS 28 -8.134 0.844 9.764 236 HD2 HIS 28 HD2 HIS 28 -7.152 2.452 13.534 237 HE1 HIS 28 HE1 HIS 28 -7.660 -1.136 11.282 238 H GLU 29 H GLU 29 -8.968 4.879 8.272 239 HA GLU 29 HA GLU 29 -9.635 6.895 7.481 240 HB2 GLU 29 HB2 GLU 29 -8.952 7.593 10.350 241 HB3 GLU 29 HB3 GLU 29 -10.029 8.522 9.297 242 HG2 GLU 29 HG2 GLU 29 -11.503 6.550 9.030 243 HG3 GLU 29 HG3 GLU 29 -10.475 5.625 10.124 244 H TYR 30 H TYR 30 -6.851 6.564 6.720 245 HA TYR 30 HA TYR 30 -5.422 8.968 7.191 246 HB2 TYR 30 HB2 TYR 30 -4.439 6.808 6.493 247 HB3 TYR 30 HB3 TYR 30 -5.154 7.038 4.899 248 HD1 TYR 30 HD1 TYR 30 -2.673 8.438 7.312 249 HD2 TYR 30 HD2 TYR 30 -4.128 8.487 3.246 250 HE1 TYR 30 HE1 TYR 30 -0.703 9.787 6.614 251 HE2 TYR 30 HE2 TYR 30 -2.122 9.734 2.540 252 HH TYR 30 HH TYR 30 0.422 10.756 4.861 253 H ALA 31 H ALA 31 -7.839 8.376 4.585 254 HA ALA 31 HA ALA 31 -7.259 10.375 2.829 255 HB1 ALA 31 HB1 ALA 31 -9.102 8.797 2.598 256 HB2 ALA 31 HB2 ALA 31 -9.978 9.592 3.946 257 HB3 ALA 31 HB3 ALA 31 -9.711 10.470 2.437 258 H ILE 32 H ILE 32 -8.858 10.774 5.998 259 HA ILE 32 HA ILE 32 -9.532 13.463 5.846 260 HB ILE 32 HB ILE 32 -8.765 11.679 8.160 261 HG12 ILE 32 HG12 ILE 32 -11.166 11.716 8.738 262 HG13 ILE 32 HG13 ILE 32 -11.511 12.702 7.319 263 HG21 ILE 32 HG21 ILE 32 -8.425 14.035 8.890 264 HG22 ILE 32 HG22 ILE 32 -10.091 14.389 8.377 265 HG23 ILE 32 HG23 ILE 32 -9.742 13.240 9.708 266 HD11 ILE 32 HD11 ILE 32 -11.108 10.855 5.862 267 HD12 ILE 32 HD12 ILE 32 -10.261 9.939 7.140 268 HD13 ILE 32 HD13 ILE 32 -11.999 10.173 7.240 269 H GLU 33 H GLU 33 -6.422 12.021 6.737 270 HA GLU 33 HA GLU 33 -5.022 14.310 7.670 271 HB2 GLU 33 HB2 GLU 33 -4.228 11.896 7.635 272 HB3 GLU 33 HB3 GLU 33 -3.858 12.124 5.922 273 HG2 GLU 33 HG2 GLU 33 -1.830 12.376 7.144 274 HG3 GLU 33 HG3 GLU 33 -2.281 13.950 6.504 275 H LEU 34 H LEU 34 -5.453 13.076 4.335 276 HA LEU 34 HA LEU 34 -4.244 15.257 2.975 277 HB2 LEU 34 HB2 LEU 34 -6.215 13.051 2.284 278 HB3 LEU 34 HB3 LEU 34 -6.005 14.374 1.165 279 HG LEU 34 HG LEU 34 -4.723 12.332 0.690 280 HD11 LEU 34 HD11 LEU 34 -2.592 13.398 0.092 281 HD12 LEU 34 HD12 LEU 34 -2.858 14.687 1.280 282 HD13 LEU 34 HD13 LEU 34 -3.886 14.573 -0.155 283 HD21 LEU 34 HD21 LEU 34 -3.011 13.001 3.063 284 HD22 LEU 34 HD22 LEU 34 -2.737 11.752 1.837 285 HD23 LEU 34 HD23 LEU 34 -4.150 11.628 2.917 286 H LEU 35 H LEU 35 -7.707 14.735 3.966 287 HA LEU 35 HA LEU 35 -8.789 17.033 2.774 288 HB2 LEU 35 HB2 LEU 35 -9.965 15.171 4.070 289 HB3 LEU 35 HB3 LEU 35 -9.512 15.964 5.557 290 HG LEU 35 HG LEU 35 -11.319 17.197 3.442 291 HD11 LEU 35 HD11 LEU 35 -12.268 15.163 4.574 292 HD12 LEU 35 HD12 LEU 35 -13.124 16.653 4.973 293 HD13 LEU 35 HD13 LEU 35 -11.986 15.942 6.142 294 HD21 LEU 35 HD21 LEU 35 -10.553 18.076 6.238 295 HD22 LEU 35 HD22 LEU 35 -12.014 18.648 5.406 296 HD23 LEU 35 HD23 LEU 35 -10.441 19.005 4.721 297 H SER 36 H SER 36 -7.424 16.947 6.173 298 HA SER 36 HA SER 36 -7.823 19.756 6.534 299 HB2 SER 36 HB2 SER 36 -7.509 17.986 8.310 300 HB3 SER 36 HB3 SER 36 -5.778 18.025 7.927 301 HG SER 36 HG SER 36 -7.424 20.126 8.923 302 H SER 37 H SER 37 -4.995 17.879 5.406 303 HA SER 37 HA SER 37 -3.154 20.029 5.331 304 HB2 SER 37 HB2 SER 37 -2.632 17.581 5.099 305 HB3 SER 37 HB3 SER 37 -3.221 17.660 3.426 306 HG SER 37 HG SER 37 -0.955 18.000 3.539 307 H GLU 38 H GLU 38 -5.433 18.755 2.994 308 HA GLU 38 HA GLU 38 -4.833 20.368 0.685 309 HB2 GLU 38 HB2 GLU 38 -7.173 18.634 1.538 310 HB3 GLU 38 HB3 GLU 38 -7.367 19.627 0.156 311 HG2 GLU 38 HG2 GLU 38 -5.098 17.612 0.459 312 HG3 GLU 38 HG3 GLU 38 -6.636 17.292 -0.338 313 H ILE 39 H ILE 39 -7.505 20.684 3.094 314 HA ILE 39 HA ILE 39 -8.628 22.991 1.820 315 HB ILE 39 HB ILE 39 -9.791 23.376 3.951 316 HG12 ILE 39 HG12 ILE 39 -9.567 21.057 5.429 317 HG13 ILE 39 HG13 ILE 39 -7.897 21.380 5.002 318 HG21 ILE 39 HG21 ILE 39 -10.689 21.954 2.168 319 HG22 ILE 39 HG22 ILE 39 -9.836 20.544 2.829 320 HG23 ILE 39 HG23 ILE 39 -11.156 21.292 3.741 321 HD11 ILE 39 HD11 ILE 39 -8.461 22.403 7.157 322 HD12 ILE 39 HD12 ILE 39 -8.180 23.707 5.986 323 HD13 ILE 39 HD13 ILE 39 -9.837 23.252 6.425 324 H ASN 40 H ASN 40 -6.290 22.673 4.513 325 HA ASN 40 HA ASN 40 -6.005 25.561 4.626 326 HB2 ASN 40 HB2 ASN 40 -4.527 25.367 6.260 327 HB3 ASN 40 HB3 ASN 40 -5.373 23.836 6.446 328 HD21 ASN 40 HD21 ASN 40 -4.197 21.940 6.083 329 HD22 ASN 40 HD22 ASN 40 -2.467 21.952 5.758 330 H ASP 41 H ASP 41 -4.465 23.224 2.472 331 HA ASP 41 HA ASP 41 -2.411 25.044 1.543 332 HB2 ASP 41 HB2 ASP 41 -2.578 22.482 1.215 333 HB3 ASP 41 HB3 ASP 41 -3.636 22.852 -0.145 334 H ILE 42 H ILE 42 -5.851 24.686 0.788 335 HA ILE 42 HA ILE 42 -5.711 26.750 -1.356 336 HB ILE 42 HB ILE 42 -8.128 25.571 0.058 337 HG12 ILE 42 HG12 ILE 42 -8.635 24.751 -2.294 338 HG13 ILE 42 HG13 ILE 42 -7.017 25.251 -2.782 339 HG21 ILE 42 HG21 ILE 42 -7.998 27.620 -2.201 340 HG22 ILE 42 HG22 ILE 42 -9.466 26.770 -1.674 341 HG23 ILE 42 HG23 ILE 42 -8.669 27.880 -0.573 342 HD11 ILE 42 HD11 ILE 42 -6.018 23.598 -1.299 343 HD12 ILE 42 HD12 ILE 42 -7.610 23.311 -0.530 344 HD13 ILE 42 HD13 ILE 42 -7.317 22.782 -2.181 345 H GLU 43 H GLU 43 -6.848 26.680 2.059 346 HA GLU 43 HA GLU 43 -7.770 29.353 2.030 347 HB2 GLU 43 HB2 GLU 43 -8.279 27.375 3.622 348 HB3 GLU 43 HB3 GLU 43 -6.856 27.841 4.515 349 HG2 GLU 43 HG2 GLU 43 -8.864 28.793 5.546 350 HG3 GLU 43 HG3 GLU 43 -7.793 30.062 4.978 351 H THR 44 H THR 44 -4.723 28.050 3.210 352 HA THR 44 HA THR 44 -3.609 30.829 3.451 353 HB THR 44 HB THR 44 -3.974 29.925 5.657 354 HG1 THR 44 HG1 THR 44 -1.906 30.289 6.404 355 HG21 THR 44 HG21 THR 44 -2.515 28.074 6.503 356 HG22 THR 44 HG22 THR 44 -2.102 27.676 4.820 357 HG23 THR 44 HG23 THR 44 -3.780 27.549 5.393 358 H GLY 45 H GLY 45 -2.860 27.435 2.435 359 HA2 GLY 45 HA2 GLY 45 -0.246 28.082 1.448 360 HA3 GLY 45 HA3 GLY 45 -1.270 26.765 0.885 361 H THR 46 H THR 46 -3.370 28.845 0.140 362 HA THR 46 HA THR 46 -4.135 29.940 -1.624 363 HB THR 46 HB THR 46 -2.934 31.833 -2.602 364 HG1 THR 46 HG1 THR 46 -0.793 31.021 -2.375 365 HG21 THR 46 HG21 THR 46 -2.878 33.177 -0.577 366 HG22 THR 46 HG22 THR 46 -2.808 31.719 0.435 367 HG23 THR 46 HG23 THR 46 -4.257 32.065 -0.533 368 H LYS 47 H LYS 47 -3.501 27.457 -2.206 369 HA LYS 47 HA LYS 47 -2.452 27.071 -4.863 370 HB2 LYS 47 HB2 LYS 47 -4.760 25.761 -3.356 371 HB3 LYS 47 HB3 LYS 47 -4.274 25.261 -4.957 372 HG2 LYS 47 HG2 LYS 47 -2.581 25.115 -2.443 373 HG3 LYS 47 HG3 LYS 47 -3.361 23.773 -3.261 374 HD2 LYS 47 HD2 LYS 47 -1.033 25.442 -4.299 375 HD3 LYS 47 HD3 LYS 47 -0.970 23.794 -3.689 376 HE2 LYS 47 HE2 LYS 47 -2.457 23.033 -5.537 377 HE3 LYS 47 HE3 LYS 47 -2.466 24.674 -6.198 378 HZ1 LYS 47 HZ1 LYS 47 -0.045 22.978 -5.875 379 HZ2 LYS 47 HZ2 LYS 47 -0.043 24.496 -6.479 380 HZ3 LYS 47 HZ3 LYS 47 -0.792 23.293 -7.290 381 H ASN 48 H ASN 48 -3.341 27.325 -6.867 382 HA ASN 48 HA ASN 48 -5.960 28.614 -7.226 383 HB2 ASN 48 HB2 ASN 48 -4.396 30.501 -6.808 384 HB3 ASN 48 HB3 ASN 48 -3.337 29.923 -8.098 385 HD21 ASN 48 HD21 ASN 48 -6.804 30.857 -7.563 386 HD22 ASN 48 HD22 ASN 48 -6.958 31.613 -9.140 387 H VAL 49 H VAL 49 -6.907 27.504 -8.757 388 HA VAL 49 HA VAL 49 -5.788 26.770 -11.318 389 HB VAL 49 HB VAL 49 -4.700 25.035 -10.057 390 HG11 VAL 49 HG11 VAL 49 -6.015 24.974 -8.007 391 HG12 VAL 49 HG12 VAL 49 -7.388 24.275 -8.898 392 HG13 VAL 49 HG13 VAL 49 -5.873 23.360 -8.707 393 HG21 VAL 49 HG21 VAL 49 -7.076 23.616 -11.287 394 HG22 VAL 49 HG22 VAL 49 -5.707 24.286 -12.221 395 HG23 VAL 49 HG23 VAL 49 -5.447 22.997 -11.030 396 H ASP 50 H ASP 50 -7.484 25.392 -12.488 397 HA ASP 50 HA ASP 50 -10.214 26.345 -12.244 398 HB2 ASP 50 HB2 ASP 50 -8.917 25.607 -14.328 399 HB3 ASP 50 HB3 ASP 50 -9.095 23.951 -13.753 400 H GLY 51 H GLY 51 -11.885 24.225 -12.373 401 HA2 GLY 51 HA2 GLY 51 -12.520 23.508 -9.868 402 HA3 GLY 51 HA3 GLY 51 -12.986 22.547 -11.255 403 H THR 52 H THR 52 -9.728 22.073 -11.193 404 HA THR 52 HA THR 52 -9.660 19.440 -10.195 405 HB THR 52 HB THR 52 -7.493 21.580 -10.252 406 HG1 THR 52 HG1 THR 52 -6.988 20.584 -12.228 407 HG21 THR 52 HG21 THR 52 -7.282 18.547 -10.154 408 HG22 THR 52 HG22 THR 52 -6.824 19.671 -8.851 409 HG23 THR 52 HG23 THR 52 -5.923 19.692 -10.375 410 H THR 53 H THR 53 -8.300 22.328 -8.361 411 HA THR 53 HA THR 53 -8.088 20.822 -5.996 412 HB THR 53 HB THR 53 -6.837 22.888 -6.661 413 HG1 THR 53 HG1 THR 53 -6.596 22.080 -4.646 414 HG21 THR 53 HG21 THR 53 -7.616 25.071 -6.030 415 HG22 THR 53 HG22 THR 53 -9.130 24.429 -5.376 416 HG23 THR 53 HG23 THR 53 -8.827 24.392 -7.129 417 H TYR 54 H TYR 54 -10.707 22.902 -7.087 418 HA TYR 54 HA TYR 54 -12.438 22.955 -4.847 419 HB2 TYR 54 HB2 TYR 54 -13.018 22.665 -7.832 420 HB3 TYR 54 HB3 TYR 54 -14.238 22.958 -6.623 421 HD1 TYR 54 HD1 TYR 54 -11.224 24.498 -8.250 422 HD2 TYR 54 HD2 TYR 54 -14.656 25.110 -5.706 423 HE1 TYR 54 HE1 TYR 54 -10.888 26.955 -8.394 424 HE2 TYR 54 HE2 TYR 54 -14.316 27.574 -5.849 425 HH TYR 54 HH TYR 54 -13.047 29.276 -6.715 426 H LYS 55 H LYS 55 -12.453 20.612 -7.615 427 HA LYS 55 HA LYS 55 -14.258 18.894 -6.510 428 HB2 LYS 55 HB2 LYS 55 -13.693 19.177 -8.883 429 HB3 LYS 55 HB3 LYS 55 -12.159 18.420 -8.636 430 HG2 LYS 55 HG2 LYS 55 -13.616 16.535 -9.253 431 HG3 LYS 55 HG3 LYS 55 -13.775 16.479 -7.523 432 HD2 LYS 55 HD2 LYS 55 -15.642 18.346 -7.929 433 HD3 LYS 55 HD3 LYS 55 -15.664 17.680 -9.557 434 HE2 LYS 55 HE2 LYS 55 -16.017 15.376 -8.614 435 HE3 LYS 55 HE3 LYS 55 -16.094 16.075 -6.994 436 HZ1 LYS 55 HZ1 LYS 55 -18.318 15.765 -7.931 437 HZ2 LYS 55 HZ2 LYS 55 -17.971 16.703 -9.218 438 HZ3 LYS 55 HZ3 LYS 55 -18.049 17.362 -7.724 439 H LYS 56 H LYS 56 -10.672 18.561 -6.333 440 HA LYS 56 HA LYS 56 -10.550 16.214 -4.706 441 HB2 LYS 56 HB2 LYS 56 -8.792 18.646 -4.834 442 HB3 LYS 56 HB3 LYS 56 -8.580 17.421 -3.574 443 HG2 LYS 56 HG2 LYS 56 -7.210 16.539 -5.135 444 HG3 LYS 56 HG3 LYS 56 -8.696 15.739 -5.655 445 HD2 LYS 56 HD2 LYS 56 -9.054 17.312 -7.412 446 HD3 LYS 56 HD3 LYS 56 -7.694 18.345 -6.905 447 HE2 LYS 56 HE2 LYS 56 -7.458 15.427 -7.629 448 HE3 LYS 56 HE3 LYS 56 -7.335 16.703 -8.851 449 HZ1 LYS 56 HZ1 LYS 56 -5.511 16.386 -6.520 450 HZ2 LYS 56 HZ2 LYS 56 -5.397 17.574 -7.642 451 HZ3 LYS 56 HZ3 LYS 56 -5.142 16.018 -8.061 452 H LEU 57 H LEU 57 -11.009 19.592 -3.389 453 HA LEU 57 HA LEU 57 -11.302 18.297 -0.788 454 HB2 LEU 57 HB2 LEU 57 -11.089 20.212 0.206 455 HB3 LEU 57 HB3 LEU 57 -10.036 20.374 -1.182 456 HG LEU 57 HG LEU 57 -12.111 21.665 -2.263 457 HD11 LEU 57 HD11 LEU 57 -12.584 22.047 0.735 458 HD12 LEU 57 HD12 LEU 57 -13.748 21.403 -0.437 459 HD13 LEU 57 HD13 LEU 57 -13.252 23.084 -0.534 460 HD21 LEU 57 HD21 LEU 57 -9.906 22.629 -1.850 461 HD22 LEU 57 HD22 LEU 57 -10.306 22.886 -0.135 462 HD23 LEU 57 HD23 LEU 57 -11.173 23.779 -1.406 463 H VAL 58 H VAL 58 -13.637 19.486 -3.127 464 HA VAL 58 HA VAL 58 -15.817 19.187 -1.210 465 HB VAL 58 HB VAL 58 -15.748 20.769 -3.198 466 HG11 VAL 58 HG11 VAL 58 -16.377 20.074 -5.340 467 HG12 VAL 58 HG12 VAL 58 -15.234 18.831 -4.808 468 HG13 VAL 58 HG13 VAL 58 -16.960 18.480 -4.778 469 HG21 VAL 58 HG21 VAL 58 -18.236 19.082 -2.844 470 HG22 VAL 58 HG22 VAL 58 -17.737 20.440 -1.797 471 HG23 VAL 58 HG23 VAL 58 -18.153 20.732 -3.494 472 H THR 59 H THR 59 -14.072 17.015 -3.364 473 HA THR 59 HA THR 59 -16.110 14.931 -3.247 474 HB THR 59 HB THR 59 -14.325 15.114 -5.020 475 HG1 THR 59 HG1 THR 59 -15.467 13.400 -5.185 476 HG21 THR 59 HG21 THR 59 -12.550 14.188 -2.787 477 HG22 THR 59 HG22 THR 59 -12.253 15.150 -4.205 478 HG23 THR 59 HG23 THR 59 -12.383 13.415 -4.389 479 H LEU 60 H LEU 60 -13.262 15.837 -1.342 480 HA LEU 60 HA LEU 60 -13.054 13.694 0.436 481 HB2 LEU 60 HB2 LEU 60 -12.574 16.599 0.778 482 HB3 LEU 60 HB3 LEU 60 -12.856 15.709 2.258 483 HG LEU 60 HG LEU 60 -10.540 15.879 1.829 484 HD11 LEU 60 HD11 LEU 60 -9.773 13.700 2.168 485 HD12 LEU 60 HD12 LEU 60 -11.166 12.958 1.349 486 HD13 LEU 60 HD13 LEU 60 -11.361 13.754 2.927 487 HD21 LEU 60 HD21 LEU 60 -9.420 14.760 -0.007 488 HD22 LEU 60 HD22 LEU 60 -10.446 16.109 -0.490 489 HD23 LEU 60 HD23 LEU 60 -11.017 14.445 -0.764 490 H TYR 61 H TYR 61 -15.357 16.396 0.876 491 HA TYR 61 HA TYR 61 -16.756 14.962 3.015 492 HB2 TYR 61 HB2 TYR 61 -17.865 16.786 3.502 493 HB3 TYR 61 HB3 TYR 61 -16.764 17.602 2.381 494 HD1 TYR 61 HD2 TYR 61 -20.200 16.342 2.941 495 HD2 TYR 61 HD1 TYR 61 -17.618 18.332 0.134 496 HE1 TYR 61 HE2 TYR 61 -22.183 17.130 1.711 497 HE2 TYR 61 HE1 TYR 61 -19.637 19.085 -1.138 498 HH TYR 61 HH TYR 61 -22.960 18.284 -0.112 499 H ASP 62 H ASP 62 -17.281 15.270 -0.422 500 HA ASP 62 HA ASP 62 -19.859 14.095 -0.634 501 HB2 ASP 62 HB2 ASP 62 -18.600 15.142 -2.541 502 HB3 ASP 62 HB3 ASP 62 -17.628 13.660 -2.624 503 H ARG 63 H ARG 63 -16.804 12.508 0.169 504 HA ARG 63 HA ARG 63 -18.411 9.962 0.405 505 HB2 ARG 63 HB2 ARG 63 -15.923 10.387 -0.876 506 HB3 ARG 63 HB3 ARG 63 -15.539 9.433 0.514 507 HG2 ARG 63 HG2 ARG 63 -16.741 7.594 -0.108 508 HG3 ARG 63 HG3 ARG 63 -17.957 8.483 -0.990 509 HD2 ARG 63 HD2 ARG 63 -15.137 7.915 -1.853 510 HD3 ARG 63 HD3 ARG 63 -16.588 7.146 -2.515 511 HE ARG 63 HE ARG 63 -15.396 9.299 -3.671 512 HH11 ARG 63 HH11 ARG 63 -18.744 9.145 -2.443 513 HH12 ARG 63 HH12 ARG 63 -19.083 10.651 -3.286 514 HH21 ARG 63 HH22 ARG 63 -16.112 11.051 -4.717 515 HH22 ARG 63 HH21 ARG 63 -17.776 11.614 -4.422 516 H PHE 64 H PHE 64 -16.066 11.921 2.170 517 HA PHE 64 HA PHE 64 -15.992 10.311 4.492 518 HB2 PHE 64 HB2 PHE 64 -14.430 12.099 4.185 519 HB3 PHE 64 HB3 PHE 64 -15.735 13.288 4.120 520 HD1 PHE 64 HD2 PHE 64 -13.841 10.987 6.352 521 HD2 PHE 64 HD1 PHE 64 -16.780 14.099 6.165 522 HE1 PHE 64 HE2 PHE 64 -13.742 11.232 8.836 523 HE2 PHE 64 HE1 PHE 64 -16.740 14.326 8.625 524 HZ PHE 64 HZ PHE 64 -15.232 12.860 9.978 525 H ARG 65 H ARG 65 -18.324 13.035 3.847 526 HA ARG 65 HA ARG 65 -19.616 12.806 6.432 527 HB2 ARG 65 HB2 ARG 65 -20.156 14.240 3.780 528 HB3 ARG 65 HB3 ARG 65 -21.187 14.434 5.101 529 HG2 ARG 65 HG2 ARG 65 -18.306 15.216 5.045 530 HG3 ARG 65 HG3 ARG 65 -19.681 16.322 5.015 531 HD2 ARG 65 HD2 ARG 65 -18.954 14.520 7.306 532 HD3 ARG 65 HD3 ARG 65 -18.574 16.233 7.219 533 HE ARG 65 HE ARG 65 -21.074 16.647 7.106 534 HH11 ARG 65 HH11 ARG 65 -19.969 13.751 8.744 535 HH12 ARG 65 HH12 ARG 65 -21.136 13.929 10.029 536 HH21 ARG 65 HH21 ARG 65 -22.660 16.684 8.667 537 HH22 ARG 65 HH22 ARG 65 -22.721 15.409 9.852 538 H PHE 66 H PHE 66 -20.246 11.711 3.313 539 HA PHE 66 HA PHE 66 -22.862 10.484 3.898 540 HB2 PHE 66 HB2 PHE 66 -21.181 10.618 1.381 541 HB3 PHE 66 HB3 PHE 66 -22.729 9.807 1.469 542 HD1 PHE 66 HD1 PHE 66 -24.803 11.179 2.220 543 HD2 PHE 66 HD2 PHE 66 -21.083 12.965 0.978 544 HE1 PHE 66 HE1 PHE 66 -25.985 13.313 1.739 545 HE2 PHE 66 HE2 PHE 66 -22.271 15.072 0.441 546 HZ PHE 66 HZ PHE 66 -24.722 15.262 0.842 547 H GLU 67 H GLU 67 -19.805 9.041 2.656 548 HA GLU 67 HA GLU 67 -21.093 6.378 2.740 549 HB2 GLU 67 HB2 GLU 67 -18.710 7.534 1.238 550 HB3 GLU 67 HB3 GLU 67 -19.150 5.857 1.159 551 HG2 GLU 67 HG2 GLU 67 -20.858 8.229 0.279 552 HG3 GLU 67 HG3 GLU 67 -19.996 7.123 -0.778 553 H ASN 68 H ASN 68 -18.083 7.840 3.755 554 HA ASN 68 HA ASN 68 -16.813 5.297 4.400 555 HB2 ASN 68 HB2 ASN 68 -15.848 8.090 5.115 556 HB3 ASN 68 HB3 ASN 68 -14.889 6.615 5.122 557 HD21 ASN 68 HD21 ASN 68 -15.574 5.460 2.619 558 HD22 ASN 68 HD22 ASN 68 -15.175 6.596 1.349 559 H1 GLY 1 H1 GLY 1 -15.332 15.887 37.435 560 H2 GLY 1 H2 GLY 1 -13.737 16.262 37.425 561 H3 GLY 1 H3 GLY 1 -14.211 14.696 37.342 562 HA2 GLY 1 HA2 GLY 1 -13.492 15.451 35.170 563 HA3 GLY 1 HA3 GLY 1 -15.214 15.029 35.187 564 H SER 2 H SER 2 -13.134 17.252 34.036 565 HA SER 2 HA SER 2 -15.055 19.549 34.183 566 HB2 SER 2 HB2 SER 2 -12.028 19.706 34.358 567 HB3 SER 2 HB3 SER 2 -13.172 21.060 34.442 568 HG SER 2 HG SER 2 -12.489 20.368 36.524 569 H HIS 3 H HIS 3 -14.583 17.517 32.018 570 HA HIS 3 HA HIS 3 -12.971 18.836 29.989 571 HB2 HIS 3 HB2 HIS 3 -14.597 16.293 29.807 572 HB3 HIS 3 HB3 HIS 3 -13.264 16.760 28.748 573 HD1 HIS 3 HD1 HIS 3 -13.429 14.063 30.633 574 HD2 HIS 3 HD2 HIS 3 -11.285 17.611 31.360 575 HE1 HIS 3 HE1 HIS 3 -11.550 13.449 32.241 576 H MET 4 H MET 4 -16.005 19.680 30.748 577 HA MET 4 HA MET 4 -17.776 19.205 28.739 578 HB2 MET 4 HB2 MET 4 -17.418 21.853 30.208 579 HB3 MET 4 HB3 MET 4 -18.835 21.384 29.276 580 HG2 MET 4 HG2 MET 4 -19.419 20.964 31.501 581 HG3 MET 4 HG3 MET 4 -19.126 19.394 30.775 582 HE1 MET 4 HE1 MET 4 -16.490 21.472 33.990 583 HE2 MET 4 HE2 MET 4 -16.509 22.079 32.323 584 HE3 MET 4 HE3 MET 4 -17.993 22.119 33.305 585 H ARG 5 H ARG 5 -17.928 19.521 26.631 586 HA ARG 5 HA ARG 5 -15.716 20.518 25.220 587 HB2 ARG 5 HB2 ARG 5 -17.744 18.844 24.631 588 HB3 ARG 5 HB3 ARG 5 -18.328 20.220 23.740 589 HG2 ARG 5 HG2 ARG 5 -16.135 20.317 22.507 590 HG3 ARG 5 HG3 ARG 5 -15.550 19.011 23.428 591 HD2 ARG 5 HD2 ARG 5 -16.170 18.229 21.283 592 HD3 ARG 5 HD3 ARG 5 -16.964 17.391 22.608 593 HE ARG 5 HE ARG 5 -18.541 19.564 21.351 594 HH11 ARG 5 HH21 ARG 5 -17.691 16.185 21.010 595 HH12 ARG 5 HH22 ARG 5 -19.274 15.742 20.429 596 HH21 ARG 5 HH11 ARG 5 -20.577 18.914 20.649 597 HH22 ARG 5 HH12 ARG 5 -20.853 17.257 20.202 598 H MET 6 H MET 6 -15.299 22.264 23.889 599 HA MET 6 HA MET 6 -17.384 24.375 23.746 600 HB2 MET 6 HB2 MET 6 -14.390 24.847 23.772 601 HB3 MET 6 HB3 MET 6 -15.661 26.067 23.866 602 HG2 MET 6 HG2 MET 6 -15.056 23.934 25.942 603 HG3 MET 6 HG3 MET 6 -14.502 25.611 26.019 604 HE1 MET 6 HE1 MET 6 -15.401 25.979 28.438 605 HE2 MET 6 HE2 MET 6 -17.047 25.556 28.958 606 HE3 MET 6 HE3 MET 6 -15.919 24.278 28.459 607 H SER 7 H SER 7 -17.969 22.959 21.986 608 HA SER 7 HA SER 7 -16.548 22.327 19.776 609 HB2 SER 7 HB2 SER 7 -19.396 23.331 19.639 610 HB3 SER 7 HB3 SER 7 -18.555 22.384 18.390 611 HG SER 7 HG SER 7 -19.863 21.138 19.883 612 H LEU 8 H LEU 8 -15.285 23.400 18.501 613 HA LEU 8 HA LEU 8 -14.131 24.997 17.592 614 HB2 LEU 8 HB2 LEU 8 -14.694 25.498 15.418 615 HB3 LEU 8 HB3 LEU 8 -15.016 23.878 15.852 616 HG LEU 8 HG LEU 8 -16.780 25.967 14.721 617 HD11 LEU 8 HD11 LEU 8 -16.945 22.933 14.771 618 HD12 LEU 8 HD12 LEU 8 -16.014 23.884 13.581 619 HD13 LEU 8 HD13 LEU 8 -17.780 24.019 13.634 620 HD21 LEU 8 HD21 LEU 8 -18.909 25.036 15.457 621 HD22 LEU 8 HD22 LEU 8 -18.051 25.801 16.787 622 HD23 LEU 8 HD23 LEU 8 -18.082 24.016 16.646 623 H ILE 9 H ILE 9 -14.065 26.251 19.405 624 HA ILE 9 HA ILE 9 -15.143 28.859 19.621 625 HB ILE 9 HB ILE 9 -12.264 28.339 20.364 626 HG12 ILE 9 HG12 ILE 9 -14.523 26.946 21.808 627 HG13 ILE 9 HG13 ILE 9 -13.257 26.185 20.937 628 HG21 ILE 9 HG21 ILE 9 -14.576 29.589 21.904 629 HG22 ILE 9 HG22 ILE 9 -12.850 29.669 22.319 630 HG23 ILE 9 HG23 ILE 9 -13.439 30.491 20.880 631 HD11 ILE 9 HD11 ILE 9 -11.568 27.256 22.492 632 HD12 ILE 9 HD12 ILE 9 -12.955 27.658 23.540 633 HD13 ILE 9 HD13 ILE 9 -12.586 25.966 23.145 634 H GLY 10 H GLY 10 -12.603 27.558 17.543 635 HA2 GLY 10 HA2 GLY 10 -11.670 28.705 15.631 636 HA3 GLY 10 HA3 GLY 10 -12.017 30.253 16.368 637 H GLU 11 H GLU 11 -10.708 28.489 18.858 638 HA GLU 11 HA GLU 11 -7.845 28.719 18.031 639 HB2 GLU 11 HB2 GLU 11 -7.431 29.211 20.545 640 HB3 GLU 11 HB3 GLU 11 -7.681 30.519 19.396 641 HG2 GLU 11 HG2 GLU 11 -10.081 29.503 20.930 642 HG3 GLU 11 HG3 GLU 11 -8.857 30.403 21.800 643 H ARG 12 H ARG 12 -9.664 27.649 20.902 644 HA ARG 12 HA ARG 12 -9.542 25.792 22.164 645 HB2 ARG 12 HB2 ARG 12 -9.423 23.842 20.001 646 HB3 ARG 12 HB3 ARG 12 -10.435 24.024 21.399 647 HG2 ARG 12 HG2 ARG 12 -12.091 24.489 20.134 648 HG3 ARG 12 HG3 ARG 12 -11.421 26.051 19.764 649 HD2 ARG 12 HD2 ARG 12 -11.274 23.425 18.228 650 HD3 ARG 12 HD3 ARG 12 -11.856 24.989 17.626 651 HE ARG 12 HE ARG 12 -9.239 25.535 18.114 652 HH11 ARG 12 HH11 ARG 12 -10.447 22.783 16.274 653 HH12 ARG 12 HH12 ARG 12 -8.828 22.443 15.709 654 HH21 ARG 12 HH21 ARG 12 -7.478 25.235 17.154 655 HH22 ARG 12 HH22 ARG 12 -7.301 24.055 15.893 656 H PHE 13 H PHE 13 -7.106 26.964 21.900 657 HA PHE 13 HA PHE 13 -4.867 25.251 21.318 658 HB2 PHE 13 HB2 PHE 13 -5.221 27.699 23.095 659 HB3 PHE 13 HB3 PHE 13 -3.685 27.006 22.656 660 HD1 PHE 13 HD1 PHE 13 -5.146 26.555 19.596 661 HD2 PHE 13 HD2 PHE 13 -4.179 29.824 22.250 662 HE1 PHE 13 HE1 PHE 13 -5.094 28.098 17.676 663 HE2 PHE 13 HE2 PHE 13 -4.130 31.371 20.307 664 HZ PHE 13 HZ PHE 13 -4.588 30.511 18.017 665 H THR 14 H THR 14 -3.177 24.814 23.172 666 HA THR 14 HA THR 14 -3.879 22.598 24.485 667 HB THR 14 HB THR 14 -1.617 23.388 24.225 668 HG1 THR 14 HG1 THR 14 -0.839 22.494 26.112 669 HG21 THR 14 HG21 THR 14 -1.953 25.048 26.752 670 HG22 THR 14 HG22 THR 14 -1.886 25.738 25.112 671 HG23 THR 14 HG23 THR 14 -0.499 24.853 25.760 672 H GLU 15 H GLU 15 -4.212 25.743 26.298 673 HA GLU 15 HA GLU 15 -5.410 24.408 28.589 674 HB2 GLU 15 HB2 GLU 15 -5.349 27.340 27.771 675 HB3 GLU 15 HB3 GLU 15 -5.947 26.725 29.318 676 HG2 GLU 15 HG2 GLU 15 -3.694 25.723 29.764 677 HG3 GLU 15 HG3 GLU 15 -3.094 26.468 28.280 678 H GLU 16 H GLU 16 -6.730 25.944 25.742 679 HA GLU 16 HA GLU 16 -9.555 25.555 26.553 680 HB2 GLU 16 HB2 GLU 16 -8.411 26.774 24.020 681 HB3 GLU 16 HB3 GLU 16 -10.099 26.788 24.516 682 HG2 GLU 16 HG2 GLU 16 -7.792 28.242 25.867 683 HG3 GLU 16 HG3 GLU 16 -9.059 28.951 24.881 684 H GLU 17 H GLU 17 -7.298 23.554 25.398 685 HA GLU 17 HA GLU 17 -8.375 22.296 23.200 686 HB2 GLU 17 HB2 GLU 17 -6.077 22.102 24.220 687 HB3 GLU 17 HB3 GLU 17 -6.743 20.926 25.361 688 HG2 GLU 17 HG2 GLU 17 -7.380 19.505 23.324 689 HG3 GLU 17 HG3 GLU 17 -6.541 20.699 22.331 690 H GLN 18 H GLN 18 -9.552 21.868 26.362 691 HA GLN 18 HA GLN 18 -10.664 19.490 26.625 692 HB2 GLN 18 HB2 GLN 18 -12.417 20.213 27.957 693 HB3 GLN 18 HB3 GLN 18 -11.195 21.455 28.159 694 HG2 GLN 18 HG2 GLN 18 -13.671 21.653 26.418 695 HG3 GLN 18 HG3 GLN 18 -13.402 22.349 28.036 696 HE21 GLN 18 HE22 GLN 18 -13.171 23.025 24.723 697 HE22 GLN 18 HE21 GLN 18 -11.908 24.256 24.785 698 H LYS 19 H LYS 19 -11.882 21.641 24.214 699 HA LYS 19 HA LYS 19 -13.973 20.116 23.085 700 HB2 LYS 19 HB2 LYS 19 -13.521 22.293 22.261 701 HB3 LYS 19 HB3 LYS 19 -11.874 21.953 22.065 702 HG2 LYS 19 HG2 LYS 19 -13.338 22.253 20.007 703 HG3 LYS 19 HG3 LYS 19 -12.059 21.027 20.091 704 HD2 LYS 19 HD2 LYS 19 -13.283 19.343 19.741 705 HD3 LYS 19 HD3 LYS 19 -14.602 19.858 20.762 706 HE2 LYS 19 HE2 LYS 19 -15.330 19.587 18.393 707 HE3 LYS 19 HE3 LYS 19 -15.446 21.267 18.841 708 HZ1 LYS 19 HZ1 LYS 19 -13.189 20.104 17.282 709 HZ2 LYS 19 HZ2 LYS 19 -13.337 21.683 17.657 710 HZ3 LYS 19 HZ3 LYS 19 -14.412 20.976 16.652 711 H LEU 20 H LEU 20 -10.580 19.930 22.105 712 HA LEU 20 HA LEU 20 -10.981 17.668 20.342 713 HB2 LEU 20 HB2 LEU 20 -8.364 18.822 21.399 714 HB3 LEU 20 HB3 LEU 20 -8.572 17.848 19.996 715 HG LEU 20 HG LEU 20 -8.163 19.857 19.118 716 HD11 LEU 20 HD11 LEU 20 -11.181 19.444 19.013 717 HD12 LEU 20 HD12 LEU 20 -9.936 18.902 17.893 718 HD13 LEU 20 HD13 LEU 20 -10.293 20.639 18.039 719 HD21 LEU 20 HD21 LEU 20 -10.160 21.311 20.875 720 HD22 LEU 20 HD22 LEU 20 -8.831 21.898 19.825 721 HD23 LEU 20 HD23 LEU 20 -8.472 21.023 21.294 722 H LEU 21 H LEU 21 -9.804 18.249 23.549 723 HA LEU 21 HA LEU 21 -8.821 15.626 24.257 724 HB2 LEU 21 HB2 LEU 21 -8.134 16.896 25.985 725 HB3 LEU 21 HB3 LEU 21 -9.313 18.143 25.662 726 HG LEU 21 HG LEU 21 -11.047 16.828 26.864 727 HD11 LEU 21 HD11 LEU 21 -10.327 15.010 28.435 728 HD12 LEU 21 HD12 LEU 21 -8.655 15.145 27.853 729 HD13 LEU 21 HD13 LEU 21 -9.899 14.484 26.817 730 HD21 LEU 21 HD21 LEU 21 -10.681 17.303 28.910 731 HD22 LEU 21 HD22 LEU 21 -9.710 18.547 28.099 732 HD23 LEU 21 HD23 LEU 21 -8.890 17.182 28.862 733 H LEU 22 H LEU 22 -12.206 17.185 24.427 734 HA LEU 22 HA LEU 22 -12.875 14.936 26.076 735 HB2 LEU 22 HB2 LEU 22 -14.175 16.918 26.355 736 HB3 LEU 22 HB3 LEU 22 -14.714 16.913 24.671 737 HG LEU 22 HG LEU 22 -15.997 14.833 25.064 738 HD11 LEU 22 HD11 LEU 22 -16.333 13.963 27.356 739 HD12 LEU 22 HD12 LEU 22 -15.079 15.067 27.956 740 HD13 LEU 22 HD13 LEU 22 -14.664 13.758 26.830 741 HD21 LEU 22 HD21 LEU 22 -17.716 15.731 26.572 742 HD22 LEU 22 HD22 LEU 22 -17.122 16.937 25.429 743 HD23 LEU 22 HD23 LEU 22 -16.580 16.984 27.123 744 H ASN 23 H ASN 23 -13.344 15.932 22.755 745 HA ASN 23 HA ASN 23 -14.660 13.839 21.472 746 HB2 ASN 23 HB2 ASN 23 -12.607 15.976 20.740 747 HB3 ASN 23 HB3 ASN 23 -13.092 14.872 19.567 748 HD21 ASN 23 HD21 ASN 23 -13.536 17.552 19.400 749 HD22 ASN 23 HD22 ASN 23 -15.255 17.866 19.493 750 H ILE 24 H ILE 24 -11.067 13.935 22.162 751 HA ILE 24 HA ILE 24 -10.836 11.293 20.846 752 HB ILE 24 HB ILE 24 -8.583 11.197 21.505 753 HG12 ILE 24 HG12 ILE 24 -9.081 13.631 23.212 754 HG13 ILE 24 HG13 ILE 24 -8.653 12.038 23.756 755 HG21 ILE 24 HG21 ILE 24 -9.237 12.522 19.508 756 HG22 ILE 24 HG22 ILE 24 -9.105 13.996 20.471 757 HG23 ILE 24 HG23 ILE 24 -7.681 12.984 20.195 758 HD11 ILE 24 HD11 ILE 24 -6.701 13.440 23.894 759 HD12 ILE 24 HD12 ILE 24 -6.434 12.262 22.591 760 HD13 ILE 24 HD13 ILE 24 -6.861 13.950 22.206 761 H LEU 25 H LEU 25 -11.454 12.431 24.087 762 HA LEU 25 HA LEU 25 -10.710 10.022 25.425 763 HB2 LEU 25 HB2 LEU 25 -10.607 12.200 26.401 764 HB3 LEU 25 HB3 LEU 25 -12.339 12.448 26.271 765 HG LEU 25 HG LEU 25 -11.308 10.106 27.896 766 HD11 LEU 25 HD11 LEU 25 -11.513 12.983 28.875 767 HD12 LEU 25 HD12 LEU 25 -10.011 12.056 28.671 768 HD13 LEU 25 HD13 LEU 25 -11.195 11.554 29.886 769 HD21 LEU 25 HD21 LEU 25 -13.689 11.997 28.263 770 HD22 LEU 25 HD22 LEU 25 -13.309 10.584 29.269 771 HD23 LEU 25 HD23 LEU 25 -13.792 10.364 27.590 772 H ILE 26 H ILE 26 -13.793 11.176 24.103 773 HA ILE 26 HA ILE 26 -15.380 8.976 25.159 774 HB ILE 26 HB ILE 26 -17.197 9.857 23.834 775 HG12 ILE 26 HG12 ILE 26 -15.352 12.001 22.726 776 HG13 ILE 26 HG13 ILE 26 -15.736 10.534 21.827 777 HG21 ILE 26 HG21 ILE 26 -17.428 12.003 24.943 778 HG22 ILE 26 HG22 ILE 26 -16.693 10.815 26.023 779 HG23 ILE 26 HG23 ILE 26 -15.686 12.060 25.270 780 HD11 ILE 26 HD11 ILE 26 -17.211 12.291 21.094 781 HD12 ILE 26 HD12 ILE 26 -18.169 11.090 21.989 782 HD13 ILE 26 HD13 ILE 26 -17.730 12.639 22.752 783 H ASN 27 H ASN 27 -16.948 8.123 23.188 784 HA ASN 27 HA ASN 27 -15.967 5.720 22.481 785 HB2 ASN 27 HB2 ASN 27 -17.961 7.289 20.777 786 HB3 ASN 27 HB3 ASN 27 -17.858 5.542 20.947 787 HD21 ASN 27 HD21 ASN 27 -19.223 8.440 22.240 788 HD22 ASN 27 HD22 ASN 27 -19.953 7.707 23.651 789 H HIS 28 H HIS 28 -15.812 8.538 20.256 790 HA HIS 28 HA HIS 28 -13.417 7.508 19.009 791 HB2 HIS 28 HB2 HIS 28 -14.226 7.500 16.710 792 HB3 HIS 28 HB3 HIS 28 -15.120 6.321 17.654 793 HD1 HIS 28 HD1 HIS 28 -15.643 9.857 16.119 794 HD2 HIS 28 HD2 HIS 28 -17.756 6.592 17.747 795 HE1 HIS 28 HE1 HIS 28 -18.112 10.292 15.650 796 H GLU 29 H GLU 29 -12.366 9.057 17.660 797 HA GLU 29 HA GLU 29 -12.450 11.743 18.470 798 HB2 GLU 29 HB2 GLU 29 -11.418 10.703 15.798 799 HB3 GLU 29 HB3 GLU 29 -10.999 12.215 16.596 800 HG2 GLU 29 HG2 GLU 29 -9.194 11.045 17.267 801 HG3 GLU 29 HG3 GLU 29 -10.254 10.568 18.585 802 H TYR 30 H TYR 30 -13.270 13.640 17.633 803 HA TYR 30 HA TYR 30 -15.582 13.348 15.743 804 HB2 TYR 30 HB2 TYR 30 -16.182 13.067 18.153 805 HB3 TYR 30 HB3 TYR 30 -15.554 14.695 18.441 806 HD1 TYR 30 HD2 TYR 30 -17.975 12.932 16.141 807 HD2 TYR 30 HD1 TYR 30 -17.055 16.483 18.407 808 HE1 TYR 30 HE2 TYR 30 -20.141 13.940 15.452 809 HE2 TYR 30 HE1 TYR 30 -19.232 17.461 17.778 810 HH TYR 30 HH TYR 30 -21.219 17.152 16.634 811 H ALA 31 H ALA 31 -13.228 15.775 17.087 812 HA ALA 31 HA ALA 31 -14.222 18.068 16.074 813 HB1 ALA 31 HB1 ALA 31 -11.346 17.071 16.010 814 HB2 ALA 31 HB2 ALA 31 -11.828 18.763 15.874 815 HB3 ALA 31 HB3 ALA 31 -12.180 17.863 17.382 816 H ILE 32 H ILE 32 -12.383 15.641 14.257 817 HA ILE 32 HA ILE 32 -12.122 16.791 11.777 818 HB ILE 32 HB ILE 32 -12.550 13.946 12.698 819 HG12 ILE 32 HG12 ILE 32 -10.152 13.630 12.090 820 HG13 ILE 32 HG13 ILE 32 -10.041 15.342 11.690 821 HG21 ILE 32 HG21 ILE 32 -11.732 13.124 10.548 822 HG22 ILE 32 HG22 ILE 32 -13.226 13.997 10.310 823 HG23 ILE 32 HG23 ILE 32 -11.694 14.811 9.930 824 HD11 ILE 32 HD11 ILE 32 -10.262 15.935 14.024 825 HD12 ILE 32 HD12 ILE 32 -10.821 14.286 14.444 826 HD13 ILE 32 HD13 ILE 32 -9.143 14.562 13.964 827 H GLU 33 H GLU 33 -14.962 14.989 12.996 828 HA GLU 33 HA GLU 33 -16.441 14.969 10.570 829 HB2 GLU 33 HB2 GLU 33 -17.003 13.684 12.654 830 HB3 GLU 33 HB3 GLU 33 -17.730 15.177 13.304 831 HG2 GLU 33 HG2 GLU 33 -19.216 15.312 11.335 832 HG3 GLU 33 HG3 GLU 33 -18.450 13.884 10.636 833 H LEU 34 H LEU 34 -16.257 17.437 13.116 834 HA LEU 34 HA LEU 34 -18.012 19.317 11.876 835 HB2 LEU 34 HB2 LEU 34 -15.841 19.423 14.007 836 HB3 LEU 34 HB3 LEU 34 -16.506 20.905 13.377 837 HG LEU 34 HG LEU 34 -17.495 20.084 15.492 838 HD11 LEU 34 HD11 LEU 34 -19.547 20.256 13.238 839 HD12 LEU 34 HD12 LEU 34 -18.737 21.654 13.966 840 HD13 LEU 34 HD13 LEU 34 -19.807 20.645 14.949 841 HD21 LEU 34 HD21 LEU 34 -18.880 17.945 13.857 842 HD22 LEU 34 HD22 LEU 34 -19.178 18.374 15.542 843 HD23 LEU 34 HD23 LEU 34 -17.609 17.681 15.081 844 H LEU 35 H LEU 35 -14.455 18.740 11.520 845 HA LEU 35 HA LEU 35 -13.904 21.044 9.947 846 HB2 LEU 35 HB2 LEU 35 -12.127 19.530 10.782 847 HB3 LEU 35 HB3 LEU 35 -12.724 18.221 9.823 848 HG LEU 35 HG LEU 35 -12.089 19.164 7.768 849 HD11 LEU 35 HD11 LEU 35 -12.400 21.627 8.332 850 HD12 LEU 35 HD12 LEU 35 -10.964 21.198 7.401 851 HD13 LEU 35 HD13 LEU 35 -10.820 21.559 9.116 852 HD21 LEU 35 HD21 LEU 35 -10.406 17.900 8.998 853 HD22 LEU 35 HD22 LEU 35 -9.863 19.368 9.835 854 HD23 LEU 35 HD23 LEU 35 -9.635 19.206 8.081 855 H SER 36 H SER 36 -14.771 17.707 8.684 856 HA SER 36 HA SER 36 -14.781 18.551 5.978 857 HB2 SER 36 HB2 SER 36 -14.607 16.210 6.786 858 HB3 SER 36 HB3 SER 36 -16.312 16.279 7.257 859 HG SER 36 HG SER 36 -15.210 16.524 4.637 860 H SER 37 H SER 37 -17.376 18.392 8.409 861 HA SER 37 HA SER 37 -19.540 19.021 6.700 862 HB2 SER 37 HB2 SER 37 -19.649 18.163 9.072 863 HB3 SER 37 HB3 SER 37 -19.307 19.816 9.623 864 HG SER 37 HG SER 37 -21.554 19.457 9.508 865 H GLU 38 H GLU 38 -17.373 21.045 8.670 866 HA GLU 38 HA GLU 38 -18.527 23.607 8.077 867 HB2 GLU 38 HB2 GLU 38 -15.982 22.653 9.354 868 HB3 GLU 38 HB3 GLU 38 -15.899 24.226 8.713 869 HG2 GLU 38 HG2 GLU 38 -18.141 23.373 10.597 870 HG3 GLU 38 HG3 GLU 38 -16.611 24.052 11.141 871 H ILE 39 H ILE 39 -15.656 21.993 6.606 872 HA ILE 39 HA ILE 39 -15.027 24.237 4.942 873 HB ILE 39 HB ILE 39 -13.714 22.633 3.596 874 HG12 ILE 39 HG12 ILE 39 -13.406 20.404 5.207 875 HG13 ILE 39 HG13 ILE 39 -15.145 20.624 5.207 876 HG21 ILE 39 HG21 ILE 39 -13.397 22.660 6.618 877 HG22 ILE 39 HG22 ILE 39 -12.087 22.279 5.485 878 HG23 ILE 39 HG23 ILE 39 -12.815 23.893 5.482 879 HD11 ILE 39 HD11 ILE 39 -13.337 20.334 2.764 880 HD12 ILE 39 HD12 ILE 39 -14.445 19.105 3.405 881 HD13 ILE 39 HD13 ILE 39 -15.093 20.589 2.678 882 H ASN 40 H ASN 40 -16.980 21.296 4.316 883 HA ASN 40 HA ASN 40 -17.715 22.320 1.696 884 HB2 ASN 40 HB2 ASN 40 -19.022 20.560 1.351 885 HB3 ASN 40 HB3 ASN 40 -17.902 19.892 2.533 886 HD21 ASN 40 HD21 ASN 40 -18.751 19.245 4.525 887 HD22 ASN 40 HD22 ASN 40 -20.477 19.270 4.864 888 H ASP 41 H ASP 41 -19.021 23.107 4.877 889 HA ASP 41 HA ASP 41 -21.397 24.410 3.870 890 HB2 ASP 41 HB2 ASP 41 -20.764 23.673 6.303 891 HB3 ASP 41 HB3 ASP 41 -20.030 25.266 6.405 892 H ILE 42 H ILE 42 -18.006 25.457 4.116 893 HA ILE 42 HA ILE 42 -18.674 28.209 3.209 894 HB ILE 42 HB ILE 42 -15.984 26.775 3.226 895 HG12 ILE 42 HG12 ILE 42 -15.408 28.548 4.932 896 HG13 ILE 42 HG13 ILE 42 -17.109 28.995 5.006 897 HG21 ILE 42 HG21 ILE 42 -15.025 29.032 2.758 898 HG22 ILE 42 HG22 ILE 42 -15.986 28.437 1.418 899 HG23 ILE 42 HG23 ILE 42 -16.667 29.663 2.512 900 HD11 ILE 42 HD11 ILE 42 -17.683 26.828 5.919 901 HD12 ILE 42 HD12 ILE 42 -16.050 26.213 5.556 902 HD13 ILE 42 HD13 ILE 42 -16.284 27.416 6.829 903 H GLU 43 H GLU 43 -17.309 25.259 1.673 904 HA GLU 43 HA GLU 43 -16.846 26.472 -0.830 905 HB2 GLU 43 HB2 GLU 43 -15.920 24.306 0.232 906 HB3 GLU 43 HB3 GLU 43 -17.340 23.497 -0.371 907 HG2 GLU 43 HG2 GLU 43 -15.418 23.199 -1.886 908 HG3 GLU 43 HG3 GLU 43 -16.762 24.005 -2.678 909 H THR 44 H THR 44 -19.559 24.500 0.221 910 HA THR 44 HA THR 44 -21.108 25.302 -2.223 911 HB THR 44 HB THR 44 -20.451 22.997 -2.459 912 HG1 THR 44 HG1 THR 44 -22.496 22.193 -2.827 913 HG21 THR 44 HG21 THR 44 -21.920 22.513 0.163 914 HG22 THR 44 HG22 THR 44 -20.212 22.187 -0.211 915 HG23 THR 44 HG23 THR 44 -21.475 21.239 -0.996 916 H GLY 45 H GLY 45 -21.321 24.643 1.329 917 HA2 GLY 45 HA2 GLY 45 -24.122 25.240 1.493 918 HA3 GLY 45 HA3 GLY 45 -22.956 25.373 2.806 919 H THR 46 H THR 46 -21.384 27.350 1.172 920 HA THR 46 HA THR 46 -21.054 29.509 0.936 921 HB THR 46 HB THR 46 -23.966 30.075 0.368 922 HG1 THR 46 HG1 THR 46 -23.261 28.242 -0.843 923 HG21 THR 46 HG21 THR 46 -21.309 31.114 -0.730 924 HG22 THR 46 HG22 THR 46 -22.354 31.990 0.409 925 HG23 THR 46 HG23 THR 46 -22.926 31.664 -1.237 926 H LYS 47 H LYS 47 -20.943 28.810 3.426 927 HA LYS 47 HA LYS 47 -22.074 30.555 5.377 928 HB2 LYS 47 HB2 LYS 47 -19.218 29.646 4.889 929 HB3 LYS 47 HB3 LYS 47 -19.690 30.548 6.310 930 HG2 LYS 47 HG2 LYS 47 -21.008 27.914 5.601 931 HG3 LYS 47 HG3 LYS 47 -19.494 27.972 6.482 932 HD2 LYS 47 HD2 LYS 47 -22.094 29.250 7.390 933 HD3 LYS 47 HD3 LYS 47 -21.543 27.659 7.875 934 HE2 LYS 47 HE2 LYS 47 -20.096 30.259 8.510 935 HE3 LYS 47 HE3 LYS 47 -21.122 29.328 9.601 936 HZ1 LYS 47 HZ1 LYS 47 -19.462 27.413 9.203 937 HZ2 LYS 47 HZ2 LYS 47 -18.911 28.670 10.072 938 HZ3 LYS 47 HZ3 LYS 47 -18.479 28.542 8.523 939 H ASN 48 H ASN 48 -21.863 32.677 5.784 940 HA ASN 48 HA ASN 48 -20.375 34.459 3.904 941 HB2 ASN 48 HB2 ASN 48 -22.640 33.976 2.987 942 HB3 ASN 48 HB3 ASN 48 -23.370 34.579 4.474 943 HD21 ASN 48 HD21 ASN 48 -24.435 35.939 2.661 944 HD22 ASN 48 HD22 ASN 48 -23.618 37.449 2.282 945 H VAL 49 H VAL 49 -18.988 34.976 5.584 946 HA VAL 49 HA VAL 49 -19.857 37.001 7.497 947 HB VAL 49 HB VAL 49 -20.459 35.006 8.720 948 HG11 VAL 49 HG11 VAL 49 -18.845 33.306 9.433 949 HG12 VAL 49 HG12 VAL 49 -19.035 33.315 7.676 950 HG13 VAL 49 HG13 VAL 49 -17.599 34.062 8.410 951 HG21 VAL 49 HG21 VAL 49 -19.411 36.886 10.023 952 HG22 VAL 49 HG22 VAL 49 -19.329 35.287 10.781 953 HG23 VAL 49 HG23 VAL 49 -17.886 35.961 10.013 954 H ASP 50 H ASP 50 -18.009 37.767 8.769 955 HA ASP 50 HA ASP 50 -15.520 38.323 7.406 956 HB2 ASP 50 HB2 ASP 50 -16.266 38.516 10.345 957 HB3 ASP 50 HB3 ASP 50 -14.973 39.378 9.534 958 H GLY 51 H GLY 51 -13.506 37.934 9.194 959 HA2 GLY 51 HA2 GLY 51 -12.441 35.512 8.744 960 HA3 GLY 51 HA3 GLY 51 -12.007 36.489 10.130 961 H THR 52 H THR 52 -15.073 35.738 10.937 962 HA THR 52 HA THR 52 -14.545 33.849 12.945 963 HB THR 52 HB THR 52 -17.099 34.267 11.336 964 HG1 THR 52 HG1 THR 52 -17.581 35.682 13.048 965 HG21 THR 52 HG21 THR 52 -18.232 33.460 13.376 966 HG22 THR 52 HG22 THR 52 -16.645 33.170 14.135 967 HG23 THR 52 HG23 THR 52 -17.159 32.207 12.729 968 H THR 53 H THR 53 -16.218 32.980 9.804 969 HA THR 53 HA THR 53 -15.856 30.219 10.264 970 HB THR 53 HB THR 53 -17.577 31.348 8.834 971 HG1 THR 53 HG1 THR 53 -16.152 29.225 7.651 972 HG21 THR 53 HG21 THR 53 -17.213 31.736 6.496 973 HG22 THR 53 HG22 THR 53 -15.525 31.211 6.588 974 HG23 THR 53 HG23 THR 53 -16.032 32.721 7.376 975 H TYR 54 H TYR 54 -13.837 32.474 8.461 976 HA TYR 54 HA TYR 54 -11.937 30.742 7.245 977 HB2 TYR 54 HB2 TYR 54 -11.592 33.438 8.641 978 HB3 TYR 54 HB3 TYR 54 -10.326 32.636 7.763 979 HD1 TYR 54 HD2 TYR 54 -13.732 34.172 7.312 980 HD2 TYR 54 HD1 TYR 54 -10.125 32.760 5.411 981 HE1 TYR 54 HE2 TYR 54 -14.469 35.192 5.171 982 HE2 TYR 54 HE1 TYR 54 -10.864 33.784 3.263 983 HH TYR 54 HH TYR 54 -12.492 34.986 2.183 984 H LYS 55 H LYS 55 -11.781 32.357 10.478 985 HA LYS 55 HA LYS 55 -9.600 31.000 11.393 986 HB2 LYS 55 HB2 LYS 55 -10.477 33.147 12.208 987 HB3 LYS 55 HB3 LYS 55 -11.853 32.363 12.898 988 HG2 LYS 55 HG2 LYS 55 -10.235 32.370 14.762 989 HG3 LYS 55 HG3 LYS 55 -9.884 30.826 14.060 990 HD2 LYS 55 HD2 LYS 55 -8.359 32.282 12.383 991 HD3 LYS 55 HD3 LYS 55 -8.373 33.415 13.725 992 HE2 LYS 55 HE2 LYS 55 -7.609 31.597 15.284 993 HE3 LYS 55 HE3 LYS 55 -7.515 30.489 13.913 994 HZ1 LYS 55 HZ1 LYS 55 -5.834 31.976 12.923 995 HZ2 LYS 55 HZ2 LYS 55 -5.345 31.474 14.398 996 HZ3 LYS 55 HZ3 LYS 55 -5.922 32.987 14.204 997 H LYS 56 H LYS 56 -13.045 30.119 11.972 998 HA LYS 56 HA LYS 56 -12.544 27.797 13.497 999 HB2 LYS 56 HB2 LYS 56 -14.791 28.521 11.641 1000 HB3 LYS 56 HB3 LYS 56 -14.644 26.865 12.227 1001 HG2 LYS 56 HG2 LYS 56 -16.067 27.912 13.753 1002 HG3 LYS 56 HG3 LYS 56 -14.519 27.763 14.599 1003 HD2 LYS 56 HD2 LYS 56 -14.083 30.197 14.022 1004 HD3 LYS 56 HD3 LYS 56 -15.731 30.278 13.350 1005 HE2 LYS 56 HE2 LYS 56 -16.682 29.610 15.503 1006 HE3 LYS 56 HE3 LYS 56 -15.073 29.311 16.156 1007 HZ1 LYS 56 HZ1 LYS 56 -14.604 31.695 15.973 1008 HZ2 LYS 56 HZ2 LYS 56 -15.867 31.410 16.947 1009 HZ3 LYS 56 HZ3 LYS 56 -16.137 31.984 15.443 1010 H LEU 57 H LEU 57 -12.576 27.871 9.859 1011 HA LEU 57 HA LEU 57 -11.820 25.049 9.958 1012 HB2 LEU 57 HB2 LEU 57 -12.160 24.874 7.827 1013 HB3 LEU 57 HB3 LEU 57 -13.378 26.036 8.312 1014 HG LEU 57 HG LEU 57 -11.524 27.811 7.455 1015 HD11 LEU 57 HD11 LEU 57 -10.476 26.986 5.353 1016 HD12 LEU 57 HD12 LEU 57 -11.007 25.342 5.725 1017 HD13 LEU 57 HD13 LEU 57 -9.812 26.153 6.752 1018 HD21 LEU 57 HD21 LEU 57 -13.810 27.657 6.642 1019 HD22 LEU 57 HD22 LEU 57 -13.397 26.251 5.632 1020 HD23 LEU 57 HD23 LEU 57 -12.694 27.847 5.286 1021 H VAL 58 H VAL 58 -9.955 28.028 9.554 1022 HA VAL 58 HA VAL 58 -7.562 26.532 8.836 1023 HB VAL 58 HB VAL 58 -8.104 28.935 8.220 1024 HG11 VAL 58 HG11 VAL 58 -6.704 29.701 10.800 1025 HG12 VAL 58 HG12 VAL 58 -7.621 30.717 9.649 1026 HG13 VAL 58 HG13 VAL 58 -8.455 29.560 10.696 1027 HG21 VAL 58 HG21 VAL 58 -5.947 27.867 7.737 1028 HG22 VAL 58 HG22 VAL 58 -5.779 29.592 8.107 1029 HG23 VAL 58 HG23 VAL 58 -5.347 28.386 9.337 1030 H THR 59 H THR 59 -9.150 27.322 11.850 1031 HA THR 59 HA THR 59 -6.820 26.707 13.491 1032 HB THR 59 HB THR 59 -8.749 28.162 14.175 1033 HG1 THR 59 HG1 THR 59 -8.065 27.930 16.076 1034 HG21 THR 59 HG21 THR 59 -10.718 27.131 14.072 1035 HG22 THR 59 HG22 THR 59 -10.341 26.700 15.734 1036 HG23 THR 59 HG23 THR 59 -10.162 25.522 14.413 1037 H LEU 60 H LEU 60 -9.620 24.908 12.252 1038 HA LEU 60 HA LEU 60 -9.299 22.418 13.503 1039 HB2 LEU 60 HB2 LEU 60 -10.209 23.160 10.789 1040 HB3 LEU 60 HB3 LEU 60 -9.662 21.509 11.011 1041 HG LEU 60 HG LEU 60 -12.022 21.698 11.222 1042 HD11 LEU 60 HD11 LEU 60 -12.480 20.395 13.110 1043 HD12 LEU 60 HD12 LEU 60 -11.044 20.983 13.995 1044 HD13 LEU 60 HD13 LEU 60 -10.868 19.915 12.583 1045 HD21 LEU 60 HD21 LEU 60 -11.525 23.568 13.507 1046 HD22 LEU 60 HD22 LEU 60 -13.090 22.744 13.205 1047 HD23 LEU 60 HD23 LEU 60 -12.415 23.820 11.984 1048 H TYR 61 H TYR 61 -7.466 23.460 10.590 1049 HA TYR 61 HA TYR 61 -5.607 21.217 10.858 1050 HB2 TYR 61 HB2 TYR 61 -4.770 21.681 8.899 1051 HB3 TYR 61 HB3 TYR 61 -6.083 22.852 8.733 1052 HD1 TYR 61 HD1 TYR 61 -2.457 22.350 9.311 1053 HD2 TYR 61 HD2 TYR 61 -5.559 25.298 8.886 1054 HE1 TYR 61 HE1 TYR 61 -0.739 24.062 8.893 1055 HE2 TYR 61 HE2 TYR 61 -3.803 27.044 8.526 1056 HH TYR 61 HH TYR 61 -0.316 26.284 8.511 1057 H ASP 62 H ASP 62 -5.511 24.528 11.963 1058 HA ASP 62 HA ASP 62 -2.832 24.717 12.842 1059 HB2 ASP 62 HB2 ASP 62 -4.479 26.615 12.935 1060 HB3 ASP 62 HB3 ASP 62 -5.159 25.864 14.393 1061 H ARG 63 H ARG 63 -5.451 22.780 14.304 1062 HA ARG 63 HA ARG 63 -3.236 21.720 16.057 1063 HB2 ARG 63 HB2 ARG 63 -6.127 21.732 16.948 1064 HB3 ARG 63 HB3 ARG 63 -4.730 21.099 17.836 1065 HG2 ARG 63 HG2 ARG 63 -5.190 24.010 17.197 1066 HG3 ARG 63 HG3 ARG 63 -5.385 23.163 18.752 1067 HD2 ARG 63 HD2 ARG 63 -3.244 23.101 19.242 1068 HD3 ARG 63 HD3 ARG 63 -2.689 22.898 17.590 1069 HE ARG 63 HE ARG 63 -3.339 25.337 17.209 1070 HH11 ARG 63 HH11 ARG 63 -1.776 24.288 20.182 1071 HH12 ARG 63 HH12 ARG 63 -0.975 25.829 20.345 1072 HH21 ARG 63 HH21 ARG 63 -2.392 27.088 17.445 1073 HH22 ARG 63 HH22 ARG 63 -1.342 27.456 18.819 1074 H PHE 64 H PHE 64 -5.769 20.646 13.855 1075 HA PHE 64 HA PHE 64 -5.471 17.878 14.504 1076 HB2 PHE 64 HB2 PHE 64 -7.343 18.627 13.229 1077 HB3 PHE 64 HB3 PHE 64 -6.290 19.371 12.026 1078 HD1 PHE 64 HD1 PHE 64 -7.539 16.101 13.352 1079 HD2 PHE 64 HD2 PHE 64 -5.291 18.051 10.265 1080 HE1 PHE 64 HE1 PHE 64 -7.482 13.979 12.042 1081 HE2 PHE 64 HE2 PHE 64 -5.213 15.964 8.950 1082 HZ PHE 64 HZ PHE 64 -6.287 13.894 9.863 1083 H ARG 65 H ARG 65 -3.711 19.893 12.056 1084 HA ARG 65 HA ARG 65 -2.127 17.692 11.030 1085 HB2 ARG 65 HB2 ARG 65 -2.169 20.742 10.810 1086 HB3 ARG 65 HB3 ARG 65 -0.985 19.847 9.997 1087 HG2 ARG 65 HG2 ARG 65 -3.933 19.493 9.567 1088 HG3 ARG 65 HG3 ARG 65 -2.886 20.426 8.509 1089 HD2 ARG 65 HD2 ARG 65 -2.421 17.513 9.053 1090 HD3 ARG 65 HD3 ARG 65 -3.407 18.079 7.697 1091 HE ARG 65 HE ARG 65 -1.176 19.488 7.235 1092 HH11 ARG 65 HH11 ARG 65 -1.363 16.061 8.032 1093 HH12 ARG 65 HH12 ARG 65 0.152 15.736 7.217 1094 HH21 ARG 65 HH21 ARG 65 0.664 18.950 6.147 1095 HH22 ARG 65 HH22 ARG 65 1.251 17.316 6.185 1096 H PHE 66 H PHE 66 -1.690 20.173 13.277 1097 HA PHE 66 HA PHE 66 1.130 19.557 13.893 1098 HB2 PHE 66 HB2 PHE 66 -0.759 21.679 14.937 1099 HB3 PHE 66 HB3 PHE 66 0.895 21.499 15.482 1100 HD1 PHE 66 HD1 PHE 66 2.791 21.564 13.694 1101 HD2 PHE 66 HD2 PHE 66 -1.214 23.002 13.008 1102 HE1 PHE 66 HE1 PHE 66 3.622 23.003 11.845 1103 HE2 PHE 66 HE2 PHE 66 -0.375 24.486 11.212 1104 HZ PHE 66 HZ PHE 66 2.041 24.472 10.605 1105 H GLU 67 H GLU 67 -1.752 19.737 16.071 1106 HA GLU 67 HA GLU 67 0.002 18.789 18.266 1107 HB2 GLU 67 HB2 GLU 67 -2.537 20.513 18.184 1108 HB3 GLU 67 HB3 GLU 67 -1.879 19.851 19.656 1109 HG2 GLU 67 HG2 GLU 67 -0.472 21.740 17.729 1110 HG3 GLU 67 HG3 GLU 67 -1.122 22.153 19.308 1111 H ASN 68 H ASN 68 -3.150 18.076 16.972 1112 HA ASN 68 HA ASN 68 -3.974 16.387 19.194 1113 HB2 ASN 68 HB2 ASN 68 -5.273 16.649 16.455 1114 HB3 ASN 68 HB3 ASN 68 -6.017 16.006 17.915 1115 HD21 ASN 68 HD21 ASN 68 -5.093 18.078 19.750 1116 HD22 ASN 68 HD22 ASN 68 -5.875 19.569 19.263 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 0.067 -7.824 2.175 2 H2 GLY 1 H2 GLY 1 -1.118 -8.939 2.383 3 H3 GLY 1 H3 GLY 1 -1.482 -7.339 2.388 4 HA2 GLY 1 HA2 GLY 1 -0.470 -8.851 0.069 5 HA3 GLY 1 HA3 GLY 1 -2.152 -8.339 0.303 6 H SER 2 H SER 2 -0.796 -7.615 -1.979 7 HA SER 2 HA SER 2 0.185 -4.847 -1.712 8 HB2 SER 2 HB2 SER 2 -0.274 -6.557 -4.179 9 HB3 SER 2 HB3 SER 2 0.498 -4.960 -4.139 10 HG SER 2 HG SER 2 2.033 -6.681 -4.099 11 H HIS 3 H HIS 3 -0.882 -3.020 -2.244 12 HA HIS 3 HA HIS 3 -3.641 -3.134 -3.362 13 HB2 HIS 3 HB2 HIS 3 -2.771 -1.700 -0.827 14 HB3 HIS 3 HB3 HIS 3 -4.344 -1.467 -1.592 15 HD1 HIS 3 HD1 HIS 3 -5.827 -3.940 -1.763 16 HD2 HIS 3 HD2 HIS 3 -2.543 -3.690 0.855 17 HE1 HIS 3 HE1 HIS 3 -6.012 -5.936 -0.193 18 H MET 4 H MET 4 -4.286 -1.331 -4.507 19 HA MET 4 HA MET 4 -2.115 0.495 -5.424 20 HB2 MET 4 HB2 MET 4 -3.177 -0.967 -7.109 21 HB3 MET 4 HB3 MET 4 -4.757 -0.295 -6.714 22 HG2 MET 4 HG2 MET 4 -3.817 0.666 -8.775 23 HG3 MET 4 HG3 MET 4 -4.124 1.884 -7.551 24 HE1 MET 4 HE1 MET 4 -0.984 -0.620 -7.933 25 HE2 MET 4 HE2 MET 4 -1.458 -0.130 -9.578 26 HE3 MET 4 HE3 MET 4 0.082 0.427 -8.890 27 H ARG 5 H ARG 5 -2.461 2.750 -5.564 28 HA ARG 5 HA ARG 5 -4.952 3.858 -4.388 29 HB2 ARG 5 HB2 ARG 5 -2.600 3.718 -2.936 30 HB3 ARG 5 HB3 ARG 5 -2.445 5.290 -3.650 31 HG2 ARG 5 HG2 ARG 5 -4.750 5.866 -2.794 32 HG3 ARG 5 HG3 ARG 5 -4.887 4.348 -2.083 33 HD2 ARG 5 HD2 ARG 5 -4.369 6.023 -0.425 34 HD3 ARG 5 HD3 ARG 5 -3.431 4.547 -0.407 35 HE ARG 5 HE ARG 5 -2.051 6.649 -1.863 36 HH11 ARG 5 HH11 ARG 5 -2.754 5.587 1.417 37 HH12 ARG 5 HH12 ARG 5 -1.200 6.114 2.005 38 HH21 ARG 5 HH21 ARG 5 -0.107 7.356 -1.004 39 HH22 ARG 5 HH22 ARG 5 0.230 7.117 0.683 40 H MET 6 H MET 6 -5.652 5.708 -5.274 41 HA MET 6 HA MET 6 -3.995 6.918 -7.391 42 HB2 MET 6 HB2 MET 6 -7.005 6.625 -7.304 43 HB3 MET 6 HB3 MET 6 -6.096 7.279 -8.664 44 HG2 MET 6 HG2 MET 6 -6.002 4.416 -7.652 45 HG3 MET 6 HG3 MET 6 -6.839 4.978 -9.090 46 HE1 MET 6 HE1 MET 6 -5.711 5.697 -11.329 47 HE2 MET 6 HE2 MET 6 -4.734 6.951 -10.527 48 HE3 MET 6 HE3 MET 6 -3.956 5.770 -11.598 49 H SER 7 H SER 7 -4.225 7.798 -4.669 50 HA SER 7 HA SER 7 -4.838 9.341 -3.287 51 HB2 SER 7 HB2 SER 7 -3.779 11.582 -3.718 52 HB3 SER 7 HB3 SER 7 -2.734 10.182 -4.035 53 HG SER 7 HG SER 7 -2.572 11.687 -5.721 54 H LEU 8 H LEU 8 -5.544 11.688 -5.942 55 HA LEU 8 HA LEU 8 -8.360 11.807 -4.907 56 HB2 LEU 8 HB2 LEU 8 -7.153 14.416 -5.690 57 HB3 LEU 8 HB3 LEU 8 -8.433 14.046 -4.610 58 HG LEU 8 HG LEU 8 -5.622 13.277 -3.751 59 HD11 LEU 8 HD11 LEU 8 -6.809 16.050 -3.502 60 HD12 LEU 8 HD12 LEU 8 -5.409 15.578 -4.502 61 HD13 LEU 8 HD13 LEU 8 -5.314 15.432 -2.746 62 HD21 LEU 8 HD21 LEU 8 -6.581 13.671 -1.551 63 HD22 LEU 8 HD22 LEU 8 -7.680 12.609 -2.468 64 HD23 LEU 8 HD23 LEU 8 -8.059 14.335 -2.293 65 H ILE 9 H ILE 9 -9.072 10.563 -6.662 66 HA ILE 9 HA ILE 9 -8.664 11.377 -9.378 67 HB ILE 9 HB ILE 9 -11.025 9.738 -8.459 68 HG12 ILE 9 HG12 ILE 9 -8.167 8.697 -8.496 69 HG13 ILE 9 HG13 ILE 9 -9.173 8.848 -7.086 70 HG21 ILE 9 HG21 ILE 9 -10.682 10.280 -10.885 71 HG22 ILE 9 HG22 ILE 9 -9.128 9.425 -10.825 72 HG23 ILE 9 HG23 ILE 9 -10.655 8.554 -10.563 73 HD11 ILE 9 HD11 ILE 9 -9.574 6.902 -9.356 74 HD12 ILE 9 HD12 ILE 9 -9.276 6.589 -7.635 75 HD13 ILE 9 HD13 ILE 9 -10.821 7.283 -8.137 76 H GLY 10 H GLY 10 -11.133 12.086 -6.964 77 HA2 GLY 10 HA2 GLY 10 -12.500 14.059 -6.974 78 HA3 GLY 10 HA3 GLY 10 -12.423 14.131 -8.716 79 H GLU 11 H GLU 11 -12.990 10.905 -7.922 80 HA GLU 11 HA GLU 11 -15.877 11.158 -7.276 81 HB2 GLU 11 HB2 GLU 11 -14.863 9.401 -9.547 82 HB3 GLU 11 HB3 GLU 11 -16.492 9.395 -8.871 83 HG2 GLU 11 HG2 GLU 11 -16.772 11.787 -9.550 84 HG3 GLU 11 HG3 GLU 11 -15.186 11.732 -10.325 85 H ARG 12 H ARG 12 -13.439 8.647 -8.064 86 HA ARG 12 HA ARG 12 -12.658 6.840 -6.940 87 HB2 ARG 12 HB2 ARG 12 -13.284 8.080 -4.282 88 HB3 ARG 12 HB3 ARG 12 -12.098 6.933 -4.785 89 HG2 ARG 12 HG2 ARG 12 -10.626 8.595 -4.748 90 HG3 ARG 12 HG3 ARG 12 -11.258 8.979 -6.333 91 HD2 ARG 12 HD2 ARG 12 -11.221 11.016 -5.024 92 HD3 ARG 12 HD3 ARG 12 -12.912 10.558 -5.196 93 HE ARG 12 HE ARG 12 -11.198 10.247 -2.753 94 HH11 ARG 12 HH11 ARG 12 -14.447 10.658 -4.014 95 HH12 ARG 12 HH12 ARG 12 -15.099 10.842 -2.433 96 HH21 ARG 12 HH21 ARG 12 -12.206 10.385 -0.739 97 HH22 ARG 12 HH22 ARG 12 -13.930 10.559 -0.674 98 H PHE 13 H PHE 13 -15.110 6.453 -7.885 99 HA PHE 13 HA PHE 13 -16.926 5.637 -5.753 100 HB2 PHE 13 HB2 PHE 13 -17.247 7.110 -7.977 101 HB3 PHE 13 HB3 PHE 13 -17.617 5.541 -8.661 102 HD1 PHE 13 HD2 PHE 13 -18.215 7.613 -5.628 103 HD2 PHE 13 HD1 PHE 13 -19.952 4.893 -8.475 104 HE1 PHE 13 HE2 PHE 13 -20.482 7.945 -4.576 105 HE2 PHE 13 HE1 PHE 13 -22.189 5.192 -7.417 106 HZ PHE 13 HZ PHE 13 -22.449 6.722 -5.472 107 H THR 14 H THR 14 -16.239 3.695 -5.021 108 HA THR 14 HA THR 14 -16.368 1.540 -4.627 109 HB THR 14 HB THR 14 -18.616 1.527 -4.872 110 HG1 THR 14 HG1 THR 14 -19.011 -0.526 -5.650 111 HG21 THR 14 HG21 THR 14 -18.970 2.727 -6.939 112 HG22 THR 14 HG22 THR 14 -19.867 1.204 -6.965 113 HG23 THR 14 HG23 THR 14 -18.359 1.354 -7.895 114 H GLU 15 H GLU 15 -16.438 1.353 -8.216 115 HA GLU 15 HA GLU 15 -14.285 -0.624 -8.311 116 HB2 GLU 15 HB2 GLU 15 -15.548 1.166 -10.428 117 HB3 GLU 15 HB3 GLU 15 -14.335 -0.082 -10.752 118 HG2 GLU 15 HG2 GLU 15 -15.874 -1.802 -9.781 119 HG3 GLU 15 HG3 GLU 15 -17.113 -0.559 -9.586 120 H GLU 16 H GLU 16 -14.472 2.884 -8.193 121 HA GLU 16 HA GLU 16 -11.528 3.154 -8.669 122 HB2 GLU 16 HB2 GLU 16 -13.800 5.141 -8.708 123 HB3 GLU 16 HB3 GLU 16 -12.107 5.616 -8.748 124 HG2 GLU 16 HG2 GLU 16 -11.769 4.316 -10.803 125 HG3 GLU 16 HG3 GLU 16 -13.486 3.872 -10.814 126 H GLU 17 H GLU 17 -13.489 2.567 -6.120 127 HA GLU 17 HA GLU 17 -12.581 4.423 -4.148 128 HB2 GLU 17 HB2 GLU 17 -14.606 2.910 -4.102 129 HB3 GLU 17 HB3 GLU 17 -13.531 1.579 -3.660 130 HG2 GLU 17 HG2 GLU 17 -12.903 2.863 -1.588 131 HG3 GLU 17 HG3 GLU 17 -14.010 4.147 -2.090 132 H GLN 18 H GLN 18 -10.871 1.808 -5.449 133 HA GLN 18 HA GLN 18 -9.354 0.632 -3.650 134 HB2 GLN 18 HB2 GLN 18 -7.493 0.290 -4.931 135 HB3 GLN 18 HB3 GLN 18 -8.884 0.285 -5.980 136 HG2 GLN 18 HG2 GLN 18 -6.834 2.521 -5.649 137 HG3 GLN 18 HG3 GLN 18 -6.968 1.325 -6.968 138 HE21 GLN 18 HE22 GLN 18 -7.862 4.476 -6.045 139 HE22 GLN 18 HE21 GLN 18 -9.330 4.628 -7.017 140 H LYS 19 H LYS 19 -8.843 3.981 -4.393 141 HA LYS 19 HA LYS 19 -6.668 4.709 -2.759 142 HB2 LYS 19 HB2 LYS 19 -7.604 6.273 -4.271 143 HB3 LYS 19 HB3 LYS 19 -9.190 5.983 -3.697 144 HG2 LYS 19 HG2 LYS 19 -8.109 8.194 -3.242 145 HG3 LYS 19 HG3 LYS 19 -9.139 7.364 -2.062 146 HD2 LYS 19 HD2 LYS 19 -7.696 7.136 -0.523 147 HD3 LYS 19 HD3 LYS 19 -6.332 6.846 -1.549 148 HE2 LYS 19 HE2 LYS 19 -6.189 8.929 -0.075 149 HE3 LYS 19 HE3 LYS 19 -5.961 9.257 -1.780 150 HZ1 LYS 19 HZ1 LYS 19 -8.600 9.638 -0.460 151 HZ2 LYS 19 HZ2 LYS 19 -8.107 10.129 -1.966 152 HZ3 LYS 19 HZ3 LYS 19 -7.492 10.833 -0.644 153 H LEU 20 H LEU 20 -10.049 4.799 -1.825 154 HA LEU 20 HA LEU 20 -9.559 5.545 0.932 155 HB2 LEU 20 HB2 LEU 20 -12.100 4.597 -0.490 156 HB3 LEU 20 HB3 LEU 20 -12.058 5.389 1.036 157 HG LEU 20 HG LEU 20 -12.795 7.036 -0.243 158 HD11 LEU 20 HD11 LEU 20 -11.057 7.965 1.063 159 HD12 LEU 20 HD12 LEU 20 -10.931 8.700 -0.555 160 HD13 LEU 20 HD13 LEU 20 -9.784 7.461 -0.035 161 HD21 LEU 20 HD21 LEU 20 -12.631 5.946 -2.340 162 HD22 LEU 20 HD22 LEU 20 -10.904 6.193 -2.466 163 HD23 LEU 20 HD23 LEU 20 -11.983 7.592 -2.467 164 H LEU 21 H LEU 21 -10.318 2.756 -0.864 165 HA LEU 21 HA LEU 21 -10.762 0.627 0.988 166 HB2 LEU 21 HB2 LEU 21 -11.262 0.312 -1.277 167 HB3 LEU 21 HB3 LEU 21 -9.792 1.061 -1.775 168 HG LEU 21 HG LEU 21 -9.899 -1.178 -2.523 169 HD11 LEU 21 HD11 LEU 21 -7.580 -0.415 -2.036 170 HD12 LEU 21 HD12 LEU 21 -7.838 -2.150 -2.009 171 HD13 LEU 21 HD13 LEU 21 -7.671 -1.286 -0.486 172 HD21 LEU 21 HD21 LEU 21 -9.850 -3.085 -1.056 173 HD22 LEU 21 HD22 LEU 21 -11.230 -2.067 -0.603 174 HD23 LEU 21 HD23 LEU 21 -9.731 -2.035 0.385 175 H LEU 22 H LEU 22 -7.634 2.001 -0.432 176 HA LEU 22 HA LEU 22 -6.197 -0.133 0.961 177 HB2 LEU 22 HB2 LEU 22 -5.337 0.858 -1.083 178 HB3 LEU 22 HB3 LEU 22 -5.228 2.459 -0.362 179 HG LEU 22 HG LEU 22 -3.603 0.043 0.560 180 HD11 LEU 22 HD11 LEU 22 -2.706 2.351 -1.202 181 HD12 LEU 22 HD12 LEU 22 -3.169 0.763 -1.832 182 HD13 LEU 22 HD13 LEU 22 -1.771 0.912 -0.757 183 HD21 LEU 22 HD21 LEU 22 -3.317 3.024 1.152 184 HD22 LEU 22 HD22 LEU 22 -2.013 1.845 1.408 185 HD23 LEU 22 HD23 LEU 22 -3.500 1.708 2.317 186 H ASN 23 H ASN 23 -6.732 3.276 1.357 187 HA ASN 23 HA ASN 23 -5.329 3.865 3.717 188 HB2 ASN 23 HB2 ASN 23 -7.712 4.953 2.168 189 HB3 ASN 23 HB3 ASN 23 -7.246 5.719 3.602 190 HD21 ASN 23 HD21 ASN 23 -7.146 6.984 1.204 191 HD22 ASN 23 HD22 ASN 23 -5.474 7.263 0.750 192 H ILE 24 H ILE 24 -8.712 2.600 3.473 193 HA ILE 24 HA ILE 24 -8.945 2.690 6.420 194 HB ILE 24 HB ILE 24 -11.081 1.666 6.209 195 HG12 ILE 24 HG12 ILE 24 -10.375 1.204 3.313 196 HG13 ILE 24 HG13 ILE 24 -10.803 0.039 4.527 197 HG21 ILE 24 HG21 ILE 24 -10.837 3.926 4.198 198 HG22 ILE 24 HG22 ILE 24 -12.265 3.466 5.138 199 HG23 ILE 24 HG23 ILE 24 -10.840 4.100 5.956 200 HD11 ILE 24 HD11 ILE 24 -12.663 0.297 3.019 201 HD12 ILE 24 HD12 ILE 24 -13.132 0.982 4.589 202 HD13 ILE 24 HD13 ILE 24 -12.683 2.054 3.236 203 H LEU 25 H LEU 25 -8.023 0.269 4.006 204 HA LEU 25 HA LEU 25 -8.276 -1.927 5.818 205 HB2 LEU 25 HB2 LEU 25 -8.444 -2.027 3.353 206 HB3 LEU 25 HB3 LEU 25 -6.716 -1.678 3.222 207 HG LEU 25 HG LEU 25 -6.201 -3.835 4.329 208 HD11 LEU 25 HD11 LEU 25 -8.080 -5.482 4.654 209 HD12 LEU 25 HD12 LEU 25 -9.238 -4.155 4.381 210 HD13 LEU 25 HD13 LEU 25 -8.147 -4.127 5.785 211 HD21 LEU 25 HD21 LEU 25 -6.953 -5.284 2.507 212 HD22 LEU 25 HD22 LEU 25 -6.501 -3.692 1.871 213 HD23 LEU 25 HD23 LEU 25 -8.216 -4.114 2.055 214 H ILE 26 H ILE 26 -5.637 0.313 5.150 215 HA ILE 26 HA ILE 26 -3.672 -1.184 6.735 216 HB ILE 26 HB ILE 26 -2.145 0.586 6.325 217 HG12 ILE 26 HG12 ILE 26 -4.217 2.196 4.806 218 HG13 ILE 26 HG13 ILE 26 -3.899 2.488 6.511 219 HG21 ILE 26 HG21 ILE 26 -3.643 -0.123 3.782 220 HG22 ILE 26 HG22 ILE 26 -1.962 0.428 3.907 221 HG23 ILE 26 HG23 ILE 26 -2.442 -1.114 4.619 222 HD11 ILE 26 HD11 ILE 26 -2.585 4.023 5.192 223 HD12 ILE 26 HD12 ILE 26 -1.490 2.873 5.991 224 HD13 ILE 26 HD13 ILE 26 -1.863 2.703 4.258 225 H ASN 27 H ASN 27 -2.376 0.663 8.173 226 HA ASN 27 HA ASN 27 -3.372 0.345 10.697 227 HB2 ASN 27 HB2 ASN 27 -1.565 2.642 9.804 228 HB3 ASN 27 HB3 ASN 27 -1.611 1.884 11.389 229 HD21 ASN 27 HD21 ASN 27 -0.222 1.759 8.221 230 HD22 ASN 27 HD22 ASN 27 0.647 0.257 8.445 231 H HIS 28 H HIS 28 -3.932 3.268 8.686 232 HA HIS 28 HA HIS 28 -6.156 4.078 10.386 233 HB2 HIS 28 HB2 HIS 28 -4.256 5.082 11.583 234 HB3 HIS 28 HB3 HIS 28 -3.666 5.804 10.089 235 HD1 HIS 28 HD1 HIS 28 -7.356 6.076 11.389 236 HD2 HIS 28 HD2 HIS 28 -3.879 8.336 10.600 237 HE1 HIS 28 HE1 HIS 28 -7.980 8.510 11.761 238 H GLU 29 H GLU 29 -7.565 5.386 9.442 239 HA GLU 29 HA GLU 29 -8.017 5.226 6.685 240 HB2 GLU 29 HB2 GLU 29 -9.428 7.006 8.710 241 HB3 GLU 29 HB3 GLU 29 -10.040 6.430 7.161 242 HG2 GLU 29 HG2 GLU 29 -11.062 4.884 8.426 243 HG3 GLU 29 HG3 GLU 29 -9.538 4.023 8.291 244 H TYR 30 H TYR 30 -5.919 6.206 6.063 245 HA TYR 30 HA TYR 30 -5.000 8.648 6.543 246 HB2 TYR 30 HB2 TYR 30 -3.832 6.817 5.391 247 HB3 TYR 30 HB3 TYR 30 -4.784 7.132 3.944 248 HD1 TYR 30 HD2 TYR 30 -2.829 9.448 6.235 249 HD2 TYR 30 HD1 TYR 30 -3.427 7.923 2.249 250 HE1 TYR 30 HE2 TYR 30 -1.070 10.970 5.376 251 HE2 TYR 30 HE1 TYR 30 -1.674 9.412 1.393 252 HH TYR 30 HH TYR 30 -0.107 11.032 1.918 253 H ALA 31 H ALA 31 -7.227 8.146 3.730 254 HA ALA 31 HA ALA 31 -7.111 10.231 2.215 255 HB1 ALA 31 HB1 ALA 31 -9.571 10.045 1.945 256 HB2 ALA 31 HB2 ALA 31 -8.724 8.477 2.000 257 HB3 ALA 31 HB3 ALA 31 -9.628 9.057 3.418 258 H ILE 32 H ILE 32 -8.848 10.524 5.362 259 HA ILE 32 HA ILE 32 -9.631 13.210 4.937 260 HB ILE 32 HB ILE 32 -9.463 11.480 7.421 261 HG12 ILE 32 HG12 ILE 32 -11.915 11.491 7.288 262 HG13 ILE 32 HG13 ILE 32 -11.881 12.517 5.854 263 HG21 ILE 32 HG21 ILE 32 -9.292 13.764 8.201 264 HG22 ILE 32 HG22 ILE 32 -10.604 14.276 7.095 265 HG23 ILE 32 HG23 ILE 32 -10.963 13.173 8.430 266 HD11 ILE 32 HD11 ILE 32 -12.344 10.047 5.478 267 HD12 ILE 32 HD12 ILE 32 -11.045 10.723 4.506 268 HD13 ILE 32 HD13 ILE 32 -10.670 9.731 5.953 269 H GLU 33 H GLU 33 -6.676 11.909 6.358 270 HA GLU 33 HA GLU 33 -5.721 14.379 7.400 271 HB2 GLU 33 HB2 GLU 33 -4.652 12.123 7.816 272 HB3 GLU 33 HB3 GLU 33 -3.967 12.197 6.176 273 HG2 GLU 33 HG2 GLU 33 -2.884 14.373 6.784 274 HG3 GLU 33 HG3 GLU 33 -3.483 14.189 8.433 275 H LEU 34 H LEU 34 -5.461 12.929 4.119 276 HA LEU 34 HA LEU 34 -4.128 15.077 2.825 277 HB2 LEU 34 HB2 LEU 34 -6.243 13.190 1.663 278 HB3 LEU 34 HB3 LEU 34 -5.179 14.255 0.769 279 HG LEU 34 HG LEU 34 -3.192 12.846 1.654 280 HD11 LEU 34 HD11 LEU 34 -3.826 11.587 3.448 281 HD12 LEU 34 HD12 LEU 34 -4.312 10.445 2.176 282 HD13 LEU 34 HD13 LEU 34 -5.503 11.484 2.916 283 HD21 LEU 34 HD21 LEU 34 -3.682 11.054 0.055 284 HD22 LEU 34 HD22 LEU 34 -4.232 12.606 -0.600 285 HD23 LEU 34 HD23 LEU 34 -5.415 11.477 0.109 286 H LEU 35 H LEU 35 -7.679 14.476 3.271 287 HA LEU 35 HA LEU 35 -8.769 16.644 1.973 288 HB2 LEU 35 HB2 LEU 35 -9.939 14.819 3.247 289 HB3 LEU 35 HB3 LEU 35 -9.600 15.646 4.739 290 HG LEU 35 HG LEU 35 -11.419 16.775 2.600 291 HD11 LEU 35 HD11 LEU 35 -13.189 16.066 4.139 292 HD12 LEU 35 HD12 LEU 35 -11.979 15.487 5.305 293 HD13 LEU 35 HD13 LEU 35 -12.191 14.650 3.771 294 HD21 LEU 35 HD21 LEU 35 -12.215 18.144 4.597 295 HD22 LEU 35 HD22 LEU 35 -10.676 18.637 3.906 296 HD23 LEU 35 HD23 LEU 35 -10.709 17.682 5.406 297 H SER 36 H SER 36 -7.679 16.804 5.501 298 HA SER 36 HA SER 36 -8.172 19.597 5.735 299 HB2 SER 36 HB2 SER 36 -8.062 18.081 7.610 300 HB3 SER 36 HB3 SER 36 -6.342 17.778 7.301 301 HG SER 36 HG SER 36 -7.130 19.560 8.871 302 H SER 37 H SER 37 -5.199 17.789 4.906 303 HA SER 37 HA SER 37 -3.433 19.985 4.888 304 HB2 SER 37 HB2 SER 37 -3.149 17.321 4.456 305 HB3 SER 37 HB3 SER 37 -2.935 17.913 2.805 306 HG SER 37 HG SER 37 -1.246 19.205 3.525 307 H GLU 38 H GLU 38 -5.612 18.658 2.547 308 HA GLU 38 HA GLU 38 -4.849 20.223 0.196 309 HB2 GLU 38 HB2 GLU 38 -7.040 18.235 0.842 310 HB3 GLU 38 HB3 GLU 38 -7.117 19.125 -0.632 311 HG2 GLU 38 HG2 GLU 38 -4.791 17.350 0.204 312 HG3 GLU 38 HG3 GLU 38 -6.067 16.919 -0.927 313 H ILE 39 H ILE 39 -7.731 20.424 2.422 314 HA ILE 39 HA ILE 39 -8.940 22.580 1.005 315 HB ILE 39 HB ILE 39 -10.061 23.159 3.114 316 HG12 ILE 39 HG12 ILE 39 -9.870 20.978 4.781 317 HG13 ILE 39 HG13 ILE 39 -8.207 21.234 4.314 318 HG21 ILE 39 HG21 ILE 39 -10.135 20.251 2.298 319 HG22 ILE 39 HG22 ILE 39 -11.444 21.105 3.136 320 HG23 ILE 39 HG23 ILE 39 -11.018 21.576 1.486 321 HD11 ILE 39 HD11 ILE 39 -8.380 23.609 5.150 322 HD12 ILE 39 HD12 ILE 39 -10.056 23.282 5.604 323 HD13 ILE 39 HD13 ILE 39 -8.734 22.403 6.399 324 H ASN 40 H ASN 40 -6.567 22.483 3.701 325 HA ASN 40 HA ASN 40 -6.393 25.386 3.715 326 HB2 ASN 40 HB2 ASN 40 -4.978 25.304 5.431 327 HB3 ASN 40 HB3 ASN 40 -5.795 23.763 5.642 328 HD21 ASN 40 HD21 ASN 40 -4.563 21.891 5.448 329 HD22 ASN 40 HD22 ASN 40 -2.817 21.932 5.205 330 H ASP 41 H ASP 41 -4.655 22.991 1.725 331 HA ASP 41 HA ASP 41 -2.661 24.875 0.816 332 HB2 ASP 41 HB2 ASP 41 -2.717 22.298 0.565 333 HB3 ASP 41 HB3 ASP 41 -3.756 22.578 -0.830 334 H ILE 42 H ILE 42 -6.054 24.363 0.012 335 HA ILE 42 HA ILE 42 -5.952 26.289 -2.247 336 HB ILE 42 HB ILE 42 -8.219 24.786 -0.917 337 HG12 ILE 42 HG12 ILE 42 -8.541 24.021 -3.296 338 HG13 ILE 42 HG13 ILE 42 -7.077 24.881 -3.756 339 HG21 ILE 42 HG21 ILE 42 -9.739 25.832 -2.599 340 HG22 ILE 42 HG22 ILE 42 -9.159 26.997 -1.420 341 HG23 ILE 42 HG23 ILE 42 -8.443 26.961 -3.050 342 HD11 ILE 42 HD11 ILE 42 -7.337 22.529 -1.859 343 HD12 ILE 42 HD12 ILE 42 -6.606 22.495 -3.473 344 HD13 ILE 42 HD13 ILE 42 -5.789 23.345 -2.169 345 H GLU 43 H GLU 43 -7.205 26.322 1.086 346 HA GLU 43 HA GLU 43 -8.283 28.949 0.972 347 HB2 GLU 43 HB2 GLU 43 -8.646 27.086 2.710 348 HB3 GLU 43 HB3 GLU 43 -7.186 27.624 3.489 349 HG2 GLU 43 HG2 GLU 43 -9.099 28.647 4.589 350 HG3 GLU 43 HG3 GLU 43 -8.125 29.882 3.840 351 H THR 44 H THR 44 -5.132 27.886 2.180 352 HA THR 44 HA THR 44 -4.200 30.730 2.323 353 HB THR 44 HB THR 44 -4.659 29.971 4.563 354 HG1 THR 44 HG1 THR 44 -2.915 31.324 4.335 355 HG21 THR 44 HG21 THR 44 -4.419 27.582 4.454 356 HG22 THR 44 HG22 THR 44 -3.263 28.211 5.627 357 HG23 THR 44 HG23 THR 44 -2.697 27.711 4.018 358 H GLY 45 H GLY 45 -3.201 27.335 1.607 359 HA2 GLY 45 HA2 GLY 45 -0.621 28.061 0.573 360 HA3 GLY 45 HA3 GLY 45 -1.574 26.660 0.092 361 H THR 46 H THR 46 -3.804 28.526 -0.791 362 HA THR 46 HA THR 46 -4.623 29.534 -2.566 363 HB THR 46 HB THR 46 -3.546 31.448 -3.629 364 HG1 THR 46 HG1 THR 46 -1.359 30.772 -3.410 365 HG21 THR 46 HG21 THR 46 -3.539 32.870 -1.660 366 HG22 THR 46 HG22 THR 46 -3.368 31.461 -0.593 367 HG23 THR 46 HG23 THR 46 -4.850 31.683 -1.548 368 H LYS 47 H LYS 47 -3.755 27.022 -3.055 369 HA LYS 47 HA LYS 47 -2.896 26.756 -5.824 370 HB2 LYS 47 HB2 LYS 47 -4.810 25.083 -4.134 371 HB3 LYS 47 HB3 LYS 47 -4.227 24.635 -5.721 372 HG2 LYS 47 HG2 LYS 47 -2.622 24.859 -3.162 373 HG3 LYS 47 HG3 LYS 47 -3.029 23.400 -4.041 374 HD2 LYS 47 HD2 LYS 47 -1.110 25.588 -4.949 375 HD3 LYS 47 HD3 LYS 47 -0.683 23.996 -4.324 376 HE2 LYS 47 HE2 LYS 47 -1.853 22.915 -6.239 377 HE3 LYS 47 HE3 LYS 47 -2.229 24.509 -6.905 378 HZ1 LYS 47 HZ1 LYS 47 0.512 23.444 -6.470 379 HZ2 LYS 47 HZ2 LYS 47 0.175 24.922 -7.080 380 HZ3 LYS 47 HZ3 LYS 47 -0.227 23.580 -7.917 381 H ASN 48 H ASN 48 -4.077 26.911 -7.701 382 HA ASN 48 HA ASN 48 -6.890 27.898 -7.564 383 HB2 ASN 48 HB2 ASN 48 -5.405 29.862 -7.522 384 HB3 ASN 48 HB3 ASN 48 -4.565 29.284 -8.961 385 HD21 ASN 48 HD21 ASN 48 -5.269 30.261 -10.840 386 HD22 ASN 48 HD22 ASN 48 -6.898 30.877 -11.074 387 H VAL 49 H VAL 49 -8.164 26.959 -8.949 388 HA VAL 49 HA VAL 49 -7.576 26.297 -11.684 389 HB VAL 49 HB VAL 49 -6.436 24.394 -10.701 390 HG11 VAL 49 HG11 VAL 49 -7.497 24.252 -8.504 391 HG12 VAL 49 HG12 VAL 49 -9.013 23.717 -9.263 392 HG13 VAL 49 HG13 VAL 49 -7.556 22.697 -9.340 393 HG21 VAL 49 HG21 VAL 49 -7.782 23.966 -12.767 394 HG22 VAL 49 HG22 VAL 49 -7.471 22.540 -11.760 395 HG23 VAL 49 HG23 VAL 49 -9.068 23.297 -11.723 396 H ASP 50 H ASP 50 -9.567 25.204 -12.656 397 HA ASP 50 HA ASP 50 -12.114 26.270 -11.710 398 HB2 ASP 50 HB2 ASP 50 -11.235 25.839 -14.141 399 HB3 ASP 50 HB3 ASP 50 -11.720 24.173 -13.850 400 H GLY 51 H GLY 51 -13.822 23.989 -12.242 401 HA2 GLY 51 HA2 GLY 51 -14.303 23.175 -9.689 402 HA3 GLY 51 HA3 GLY 51 -14.870 22.324 -11.109 403 H THR 52 H THR 52 -11.679 21.836 -11.441 404 HA THR 52 HA THR 52 -11.570 19.138 -10.619 405 HB THR 52 HB THR 52 -9.332 21.191 -10.817 406 HG1 THR 52 HG1 THR 52 -9.116 20.302 -12.895 407 HG21 THR 52 HG21 THR 52 -8.544 19.222 -9.629 408 HG22 THR 52 HG22 THR 52 -7.905 19.199 -11.279 409 HG23 THR 52 HG23 THR 52 -9.286 18.148 -10.841 410 H THR 53 H THR 53 -10.085 21.977 -8.765 411 HA THR 53 HA THR 53 -9.589 20.286 -6.545 412 HB THR 53 HB THR 53 -8.371 22.352 -7.132 413 HG1 THR 53 HG1 THR 53 -7.924 22.733 -5.022 414 HG21 THR 53 HG21 THR 53 -9.059 24.507 -6.318 415 HG22 THR 53 HG22 THR 53 -10.533 23.847 -5.588 416 HG23 THR 53 HG23 THR 53 -10.368 23.920 -7.358 417 H TYR 54 H TYR 54 -12.306 22.466 -7.192 418 HA TYR 54 HA TYR 54 -13.787 22.302 -4.787 419 HB2 TYR 54 HB2 TYR 54 -14.699 22.159 -7.698 420 HB3 TYR 54 HB3 TYR 54 -15.798 22.238 -6.352 421 HD1 TYR 54 HD2 TYR 54 -13.048 24.169 -8.046 422 HD2 TYR 54 HD1 TYR 54 -16.355 24.263 -5.273 423 HE1 TYR 54 HE2 TYR 54 -12.932 26.652 -7.998 424 HE2 TYR 54 HE1 TYR 54 -16.234 26.754 -5.222 425 HH TYR 54 HH TYR 54 -15.171 28.627 -6.010 426 H LYS 55 H LYS 55 -14.011 20.112 -7.645 427 HA LYS 55 HA LYS 55 -15.553 18.199 -6.478 428 HB2 LYS 55 HB2 LYS 55 -15.261 18.660 -8.863 429 HB3 LYS 55 HB3 LYS 55 -13.652 18.046 -8.836 430 HG2 LYS 55 HG2 LYS 55 -14.971 16.046 -9.397 431 HG3 LYS 55 HG3 LYS 55 -14.965 15.906 -7.666 432 HD2 LYS 55 HD2 LYS 55 -17.014 17.606 -7.782 433 HD3 LYS 55 HD3 LYS 55 -17.142 17.034 -9.437 434 HE2 LYS 55 HE2 LYS 55 -17.190 14.654 -8.619 435 HE3 LYS 55 HE3 LYS 55 -17.174 15.251 -6.958 436 HZ1 LYS 55 HZ1 LYS 55 -19.298 16.385 -7.425 437 HZ2 LYS 55 HZ2 LYS 55 -19.442 14.783 -7.710 438 HZ3 LYS 55 HZ3 LYS 55 -19.303 15.822 -8.959 439 H LYS 56 H LYS 56 -11.949 18.151 -6.628 440 HA LYS 56 HA LYS 56 -11.511 15.719 -5.186 441 HB2 LYS 56 HB2 LYS 56 -9.926 18.235 -5.451 442 HB3 LYS 56 HB3 LYS 56 -9.506 17.054 -4.197 443 HG2 LYS 56 HG2 LYS 56 -8.233 16.354 -5.976 444 HG3 LYS 56 HG3 LYS 56 -9.649 15.299 -6.127 445 HD2 LYS 56 HD2 LYS 56 -10.561 16.765 -7.867 446 HD3 LYS 56 HD3 LYS 56 -9.130 17.828 -7.756 447 HE2 LYS 56 HE2 LYS 56 -8.963 14.857 -8.164 448 HE3 LYS 56 HE3 LYS 56 -9.238 15.928 -9.554 449 HZ1 LYS 56 HZ1 LYS 56 -6.868 16.042 -7.755 450 HZ2 LYS 56 HZ2 LYS 56 -7.104 16.997 -9.067 451 HZ3 LYS 56 HZ3 LYS 56 -6.878 15.388 -9.240 452 H LEU 57 H LEU 57 -12.087 18.966 -3.667 453 HA LEU 57 HA LEU 57 -11.966 17.712 -1.026 454 HB2 LEU 57 HB2 LEU 57 -12.372 20.489 -2.023 455 HB3 LEU 57 HB3 LEU 57 -12.582 20.098 -0.323 456 HG LEU 57 HG LEU 57 -10.417 20.944 -0.491 457 HD11 LEU 57 HD11 LEU 57 -9.793 17.979 -0.580 458 HD12 LEU 57 HD12 LEU 57 -10.744 18.682 0.749 459 HD13 LEU 57 HD13 LEU 57 -9.107 19.254 0.441 460 HD21 LEU 57 HD21 LEU 57 -9.705 19.067 -2.751 461 HD22 LEU 57 HD22 LEU 57 -8.641 20.228 -1.938 462 HD23 LEU 57 HD23 LEU 57 -10.006 20.817 -2.875 463 H VAL 58 H VAL 58 -14.667 18.618 -3.154 464 HA VAL 58 HA VAL 58 -16.570 17.970 -1.021 465 HB VAL 58 HB VAL 58 -16.948 19.673 -2.826 466 HG11 VAL 58 HG11 VAL 58 -17.726 19.089 -4.966 467 HG12 VAL 58 HG12 VAL 58 -16.321 18.059 -4.681 468 HG13 VAL 58 HG13 VAL 58 -17.937 17.368 -4.537 469 HG21 VAL 58 HG21 VAL 58 -19.362 19.288 -2.932 470 HG22 VAL 58 HG22 VAL 58 -19.140 17.607 -2.400 471 HG23 VAL 58 HG23 VAL 58 -18.739 18.950 -1.311 472 H THR 59 H THR 59 -14.898 16.127 -3.461 473 HA THR 59 HA THR 59 -16.757 13.851 -3.291 474 HB THR 59 HB THR 59 -15.247 14.306 -5.256 475 HG1 THR 59 HG1 THR 59 -16.303 12.480 -5.284 476 HG21 THR 59 HG21 THR 59 -13.142 13.246 -3.360 477 HG22 THR 59 HG22 THR 59 -13.115 14.565 -4.513 478 HG23 THR 59 HG23 THR 59 -13.084 12.911 -5.103 479 H LEU 60 H LEU 60 -13.782 14.874 -1.718 480 HA LEU 60 HA LEU 60 -13.102 12.782 -0.020 481 HB2 LEU 60 HB2 LEU 60 -12.958 15.718 0.186 482 HB3 LEU 60 HB3 LEU 60 -13.019 14.898 1.723 483 HG LEU 60 HG LEU 60 -10.784 15.306 1.144 484 HD11 LEU 60 HD11 LEU 60 -9.683 13.302 1.410 485 HD12 LEU 60 HD12 LEU 60 -10.988 12.343 0.655 486 HD13 LEU 60 HD13 LEU 60 -11.229 13.089 2.254 487 HD21 LEU 60 HD21 LEU 60 -11.301 13.937 -1.450 488 HD22 LEU 60 HD22 LEU 60 -9.661 14.217 -0.770 489 HD23 LEU 60 HD23 LEU 60 -10.711 15.589 -1.096 490 H TYR 61 H TYR 61 -15.564 15.229 0.773 491 HA TYR 61 HA TYR 61 -16.560 13.582 2.980 492 HB2 TYR 61 HB2 TYR 61 -17.450 15.308 3.904 493 HB3 TYR 61 HB3 TYR 61 -16.551 16.214 2.709 494 HD1 TYR 61 HD1 TYR 61 -18.528 15.945 0.330 495 HD2 TYR 61 HD2 TYR 61 -19.095 16.811 4.495 496 HE1 TYR 61 HE1 TYR 61 -20.611 17.157 -0.217 497 HE2 TYR 61 HE2 TYR 61 -21.212 18.000 3.952 498 HH TYR 61 HH TYR 61 -22.433 18.283 0.605 499 H ASP 62 H ASP 62 -17.554 14.041 -0.229 500 HA ASP 62 HA ASP 62 -20.118 12.763 -0.164 501 HB2 ASP 62 HB2 ASP 62 -19.201 13.914 -2.190 502 HB3 ASP 62 HB3 ASP 62 -18.157 12.505 -2.451 503 H ARG 63 H ARG 63 -16.876 11.345 0.138 504 HA ARG 63 HA ARG 63 -18.281 8.700 0.526 505 HB2 ARG 63 HB2 ARG 63 -15.907 9.325 -0.907 506 HB3 ARG 63 HB3 ARG 63 -15.395 8.361 0.441 507 HG2 ARG 63 HG2 ARG 63 -16.415 6.463 -0.213 508 HG3 ARG 63 HG3 ARG 63 -17.822 7.245 -0.880 509 HD2 ARG 63 HD2 ARG 63 -15.090 7.077 -2.093 510 HD3 ARG 63 HD3 ARG 63 -16.499 6.150 -2.634 511 HE ARG 63 HE ARG 63 -15.765 8.416 -3.870 512 HH11 ARG 63 HH12 ARG 63 -18.815 8.018 -2.058 513 HH12 ARG 63 HH11 ARG 63 -19.415 9.482 -2.824 514 HH21 ARG 63 HH21 ARG 63 -16.801 10.082 -4.780 515 HH22 ARG 63 HH22 ARG 63 -18.435 10.501 -4.208 516 H PHE 64 H PHE 64 -15.907 10.761 2.163 517 HA PHE 64 HA PHE 64 -15.535 9.117 4.413 518 HB2 PHE 64 HB2 PHE 64 -14.120 10.976 4.152 519 HB3 PHE 64 HB3 PHE 64 -15.470 12.085 3.999 520 HD1 PHE 64 HD1 PHE 64 -14.296 9.526 6.550 521 HD2 PHE 64 HD2 PHE 64 -15.791 13.506 5.871 522 HE1 PHE 64 HE1 PHE 64 -14.235 9.960 8.988 523 HE2 PHE 64 HE2 PHE 64 -15.785 13.920 8.347 524 HZ PHE 64 HZ PHE 64 -14.977 12.151 9.885 525 H ARG 65 H ARG 65 -18.090 11.655 4.083 526 HA ARG 65 HA ARG 65 -19.127 11.440 6.753 527 HB2 ARG 65 HB2 ARG 65 -20.334 12.415 4.108 528 HB3 ARG 65 HB3 ARG 65 -20.857 12.893 5.663 529 HG2 ARG 65 HG2 ARG 65 -18.229 13.576 4.608 530 HG3 ARG 65 HG3 ARG 65 -19.680 14.588 4.608 531 HD2 ARG 65 HD2 ARG 65 -17.945 13.702 6.861 532 HD3 ARG 65 HD3 ARG 65 -18.259 15.359 6.381 533 HE ARG 65 HE ARG 65 -19.499 14.039 8.456 534 HH11 ARG 65 HH21 ARG 65 -20.955 15.676 5.677 535 HH12 ARG 65 HH22 ARG 65 -22.182 16.350 6.714 536 HH21 ARG 65 HH11 ARG 65 -20.972 14.801 9.544 537 HH22 ARG 65 HH12 ARG 65 -22.253 15.819 8.879 538 H PHE 66 H PHE 66 -19.968 10.242 3.752 539 HA PHE 66 HA PHE 66 -22.453 8.866 4.516 540 HB2 PHE 66 HB2 PHE 66 -21.100 9.322 1.842 541 HB3 PHE 66 HB3 PHE 66 -22.628 8.497 2.028 542 HD1 PHE 66 HD2 PHE 66 -24.564 9.794 3.243 543 HD2 PHE 66 HD1 PHE 66 -21.027 11.693 1.683 544 HE1 PHE 66 HE2 PHE 66 -25.725 11.991 3.274 545 HE2 PHE 66 HE1 PHE 66 -22.181 13.891 1.720 546 HZ PHE 66 HZ PHE 66 -24.536 14.042 2.518 547 H GLU 67 H GLU 67 -19.547 7.677 2.759 548 HA GLU 67 HA GLU 67 -20.683 4.940 2.794 549 HB2 GLU 67 HB2 GLU 67 -18.386 6.189 1.222 550 HB3 GLU 67 HB3 GLU 67 -18.916 4.534 1.078 551 HG2 GLU 67 HG2 GLU 67 -20.511 7.033 0.407 552 HG3 GLU 67 HG3 GLU 67 -19.822 5.895 -0.740 553 H ASN 68 H ASN 68 -17.689 6.521 3.629 554 HA ASN 68 HA ASN 68 -16.228 4.075 4.178 555 HB2 ASN 68 HB2 ASN 68 -15.421 6.888 5.034 556 HB3 ASN 68 HB3 ASN 68 -14.384 5.466 4.822 557 HD21 ASN 68 HD22 ASN 68 -15.373 4.532 2.330 558 HD22 ASN 68 HD21 ASN 68 -14.559 5.632 1.236 559 H1 GLY 1 H1 GLY 1 -14.057 7.981 30.778 560 H2 GLY 1 H2 GLY 1 -15.012 8.390 32.045 561 H3 GLY 1 H3 GLY 1 -13.567 7.666 32.310 562 HA2 GLY 1 HA2 GLY 1 -13.413 10.016 32.814 563 HA3 GLY 1 HA3 GLY 1 -12.369 9.562 31.455 564 H SER 2 H SER 2 -14.241 11.984 32.406 565 HA SER 2 HA SER 2 -15.210 12.725 29.682 566 HB2 SER 2 HB2 SER 2 -16.851 12.916 32.239 567 HB3 SER 2 HB3 SER 2 -17.327 13.521 30.642 568 HG SER 2 HG SER 2 -18.229 11.455 31.104 569 H HIS 3 H HIS 3 -15.588 14.988 29.388 570 HA HIS 3 HA HIS 3 -14.677 16.911 31.399 571 HB2 HIS 3 HB2 HIS 3 -12.613 15.992 30.109 572 HB3 HIS 3 HB3 HIS 3 -13.232 16.871 28.709 573 HD1 HIS 3 HD1 HIS 3 -13.103 19.597 28.914 574 HD2 HIS 3 HD2 HIS 3 -11.638 17.385 32.185 575 HE1 HIS 3 HE1 HIS 3 -11.813 21.248 30.384 576 H MET 4 H MET 4 -15.023 19.158 30.697 577 HA MET 4 HA MET 4 -17.360 19.628 29.039 578 HB2 MET 4 HB2 MET 4 -15.293 21.591 30.136 579 HB3 MET 4 HB3 MET 4 -16.838 22.003 29.393 580 HG2 MET 4 HG2 MET 4 -17.251 22.189 31.666 581 HG3 MET 4 HG3 MET 4 -17.970 20.643 31.229 582 HE1 MET 4 HE1 MET 4 -18.191 20.020 33.784 583 HE2 MET 4 HE2 MET 4 -16.854 20.113 34.952 584 HE3 MET 4 HE3 MET 4 -17.493 21.599 34.216 585 H ARG 5 H ARG 5 -17.466 20.591 27.006 586 HA ARG 5 HA ARG 5 -14.959 20.686 25.361 587 HB2 ARG 5 HB2 ARG 5 -16.719 18.779 25.012 588 HB3 ARG 5 HB3 ARG 5 -17.688 19.998 24.210 589 HG2 ARG 5 HG2 ARG 5 -15.678 20.438 22.683 590 HG3 ARG 5 HG3 ARG 5 -14.870 19.149 23.493 591 HD2 ARG 5 HD2 ARG 5 -15.534 18.121 21.619 592 HD3 ARG 5 HD3 ARG 5 -16.626 17.544 22.869 593 HE ARG 5 HE ARG 5 -17.719 19.826 21.374 594 HH11 ARG 5 HH11 ARG 5 -17.343 16.344 21.230 595 HH12 ARG 5 HH12 ARG 5 -18.839 16.132 20.364 596 HH21 ARG 5 HH21 ARG 5 -19.472 19.527 20.169 597 HH22 ARG 5 HH22 ARG 5 -20.069 17.922 19.800 598 H MET 6 H MET 6 -14.745 22.413 23.914 599 HA MET 6 HA MET 6 -17.041 24.292 23.812 600 HB2 MET 6 HB2 MET 6 -14.135 25.153 23.651 601 HB3 MET 6 HB3 MET 6 -15.552 26.179 23.831 602 HG2 MET 6 HG2 MET 6 -14.531 24.179 25.875 603 HG3 MET 6 HG3 MET 6 -14.206 25.913 25.910 604 HE1 MET 6 HE1 MET 6 -14.960 25.812 28.478 605 HE2 MET 6 HE2 MET 6 -16.558 25.244 29.008 606 HE3 MET 6 HE3 MET 6 -15.394 24.094 28.316 607 H SER 7 H SER 7 -17.629 22.888 22.075 608 HA SER 7 HA SER 7 -16.320 22.285 19.840 609 HB2 SER 7 HB2 SER 7 -19.172 23.269 19.699 610 HB3 SER 7 HB3 SER 7 -18.353 22.144 18.598 611 HG SER 7 HG SER 7 -19.507 21.692 21.039 612 H LEU 8 H LEU 8 -15.115 23.354 18.485 613 HA LEU 8 HA LEU 8 -14.040 24.935 17.496 614 HB2 LEU 8 HB2 LEU 8 -14.732 25.428 15.324 615 HB3 LEU 8 HB3 LEU 8 -14.834 23.792 15.769 616 HG LEU 8 HG LEU 8 -16.826 25.576 14.599 617 HD11 LEU 8 HD11 LEU 8 -16.787 22.551 14.942 618 HD12 LEU 8 HD12 LEU 8 -15.971 23.458 13.638 619 HD13 LEU 8 HD13 LEU 8 -17.737 23.478 13.762 620 HD21 LEU 8 HD21 LEU 8 -18.863 24.659 15.512 621 HD22 LEU 8 HD22 LEU 8 -17.985 25.550 16.752 622 HD23 LEU 8 HD23 LEU 8 -17.962 23.760 16.741 623 H ILE 9 H ILE 9 -13.949 26.269 19.258 624 HA ILE 9 HA ILE 9 -15.096 28.828 19.465 625 HB ILE 9 HB ILE 9 -12.166 28.467 20.051 626 HG12 ILE 9 HG12 ILE 9 -14.253 26.984 21.677 627 HG13 ILE 9 HG13 ILE 9 -13.022 26.244 20.717 628 HG21 ILE 9 HG21 ILE 9 -13.435 30.552 20.633 629 HG22 ILE 9 HG22 ILE 9 -14.450 29.590 21.725 630 HG23 ILE 9 HG23 ILE 9 -12.711 29.778 22.034 631 HD11 ILE 9 HD11 ILE 9 -12.584 27.812 23.252 632 HD12 ILE 9 HD12 ILE 9 -12.178 26.126 22.877 633 HD13 ILE 9 HD13 ILE 9 -11.274 27.434 22.100 634 H GLY 10 H GLY 10 -12.622 27.671 17.211 635 HA2 GLY 10 HA2 GLY 10 -11.856 28.959 15.291 636 HA3 GLY 10 HA3 GLY 10 -12.182 30.447 16.145 637 H GLU 11 H GLU 11 -10.593 28.409 18.313 638 HA GLU 11 HA GLU 11 -7.827 28.984 17.389 639 HB2 GLU 11 HB2 GLU 11 -7.419 29.677 19.893 640 HB3 GLU 11 HB3 GLU 11 -7.838 30.860 18.641 641 HG2 GLU 11 HG2 GLU 11 -10.229 30.777 19.463 642 HG3 GLU 11 HG3 GLU 11 -9.697 29.709 20.764 643 H ARG 12 H ARG 12 -9.191 27.944 20.487 644 HA ARG 12 HA ARG 12 -9.203 26.032 21.640 645 HB2 ARG 12 HB2 ARG 12 -8.907 24.321 19.248 646 HB3 ARG 12 HB3 ARG 12 -9.860 24.173 20.703 647 HG2 ARG 12 HG2 ARG 12 -11.592 24.656 19.481 648 HG3 ARG 12 HG3 ARG 12 -11.106 26.325 19.654 649 HD2 ARG 12 HD2 ARG 12 -11.594 25.765 17.281 650 HD3 ARG 12 HD3 ARG 12 -9.903 26.190 17.454 651 HE ARG 12 HE ARG 12 -10.985 23.410 17.152 652 HH11 ARG 12 HH11 ARG 12 -8.270 25.596 16.648 653 HH12 ARG 12 HH12 ARG 12 -7.554 24.517 15.506 654 HH21 ARG 12 HH21 ARG 12 -9.775 21.971 15.920 655 HH22 ARG 12 HH22 ARG 12 -8.226 22.469 15.321 656 H PHE 13 H PHE 13 -6.640 27.056 21.789 657 HA PHE 13 HA PHE 13 -4.935 24.618 21.683 658 HB2 PHE 13 HB2 PHE 13 -3.068 26.059 21.126 659 HB3 PHE 13 HB3 PHE 13 -4.365 25.944 19.951 660 HD1 PHE 13 HD2 PHE 13 -3.042 28.231 22.632 661 HD2 PHE 13 HD1 PHE 13 -5.203 27.866 18.925 662 HE1 PHE 13 HE2 PHE 13 -3.047 30.702 22.395 663 HE2 PHE 13 HE1 PHE 13 -5.168 30.339 18.663 664 HZ PHE 13 HZ PHE 13 -4.106 31.760 20.407 665 H THR 14 H THR 14 -4.100 23.941 23.320 666 HA THR 14 HA THR 14 -3.205 23.460 25.221 667 HB THR 14 HB THR 14 -1.243 24.484 24.771 668 HG1 THR 14 HG1 THR 14 -0.567 25.195 26.767 669 HG21 THR 14 HG21 THR 14 -2.415 27.200 25.468 670 HG22 THR 14 HG22 THR 14 -1.926 26.602 23.863 671 HG23 THR 14 HG23 THR 14 -0.705 26.858 25.116 672 H GLU 15 H GLU 15 -3.943 26.781 26.303 673 HA GLU 15 HA GLU 15 -5.505 25.897 28.560 674 HB2 GLU 15 HB2 GLU 15 -5.312 28.527 27.042 675 HB3 GLU 15 HB3 GLU 15 -6.222 28.342 28.545 676 HG2 GLU 15 HG2 GLU 15 -3.217 27.872 28.268 677 HG3 GLU 15 HG3 GLU 15 -3.961 29.355 28.842 678 H GLU 16 H GLU 16 -6.313 26.644 25.209 679 HA GLU 16 HA GLU 16 -9.226 26.310 25.759 680 HB2 GLU 16 HB2 GLU 16 -7.868 27.399 23.284 681 HB3 GLU 16 HB3 GLU 16 -9.586 27.383 23.616 682 HG2 GLU 16 HG2 GLU 16 -7.453 28.984 25.083 683 HG3 GLU 16 HG3 GLU 16 -8.668 29.599 23.976 684 H GLU 17 H GLU 17 -6.750 24.296 24.862 685 HA GLU 17 HA GLU 17 -7.855 22.800 22.752 686 HB2 GLU 17 HB2 GLU 17 -5.513 22.736 23.767 687 HB3 GLU 17 HB3 GLU 17 -6.166 21.667 25.007 688 HG2 GLU 17 HG2 GLU 17 -6.828 20.055 23.150 689 HG3 GLU 17 HG3 GLU 17 -6.080 21.167 21.999 690 H GLN 18 H GLN 18 -9.001 22.777 25.981 691 HA GLN 18 HA GLN 18 -9.866 20.343 26.576 692 HB2 GLN 18 HB2 GLN 18 -11.684 20.948 27.786 693 HB3 GLN 18 HB3 GLN 18 -10.491 22.212 27.938 694 HG2 GLN 18 HG2 GLN 18 -13.019 22.259 26.248 695 HG3 GLN 18 HG3 GLN 18 -12.733 23.042 27.829 696 HE21 GLN 18 HE22 GLN 18 -12.624 23.583 24.461 697 HE22 GLN 18 HE21 GLN 18 -11.388 24.836 24.440 698 H LYS 19 H LYS 19 -11.363 22.140 23.985 699 HA LYS 19 HA LYS 19 -13.435 20.425 23.137 700 HB2 LYS 19 HB2 LYS 19 -13.191 22.538 22.126 701 HB3 LYS 19 HB3 LYS 19 -11.533 22.299 21.845 702 HG2 LYS 19 HG2 LYS 19 -13.084 22.389 19.874 703 HG3 LYS 19 HG3 LYS 19 -11.738 21.231 19.969 704 HD2 LYS 19 HD2 LYS 19 -12.879 19.496 19.706 705 HD3 LYS 19 HD3 LYS 19 -14.166 19.941 20.795 706 HE2 LYS 19 HE2 LYS 19 -15.046 19.559 18.515 707 HE3 LYS 19 HE3 LYS 19 -15.217 21.249 18.900 708 HZ1 LYS 19 HZ1 LYS 19 -14.338 20.914 16.655 709 HZ2 LYS 19 HZ2 LYS 19 -13.030 20.126 17.219 710 HZ3 LYS 19 HZ3 LYS 19 -13.225 21.712 17.544 711 H LEU 20 H LEU 20 -10.093 20.312 22.015 712 HA LEU 20 HA LEU 20 -10.437 17.958 20.353 713 HB2 LEU 20 HB2 LEU 20 -7.888 19.365 21.277 714 HB3 LEU 20 HB3 LEU 20 -8.030 18.303 19.930 715 HG LEU 20 HG LEU 20 -7.823 20.241 18.911 716 HD11 LEU 20 HD11 LEU 20 -9.565 19.139 17.797 717 HD12 LEU 20 HD12 LEU 20 -10.066 20.843 17.914 718 HD13 LEU 20 HD13 LEU 20 -10.800 19.622 18.964 719 HD21 LEU 20 HD21 LEU 20 -9.818 21.616 20.744 720 HD22 LEU 20 HD22 LEU 20 -8.784 22.276 19.461 721 HD23 LEU 20 HD23 LEU 20 -8.059 21.596 20.910 722 H LEU 21 H LEU 21 -9.304 18.738 23.462 723 HA LEU 21 HA LEU 21 -8.064 16.361 24.504 724 HB2 LEU 21 HB2 LEU 21 -7.650 18.385 25.580 725 HB3 LEU 21 HB3 LEU 21 -9.285 18.898 25.404 726 HG LEU 21 HG LEU 21 -8.680 18.782 27.684 727 HD11 LEU 21 HD11 LEU 21 -10.686 16.536 27.428 728 HD12 LEU 21 HD12 LEU 21 -11.073 18.269 27.291 729 HD13 LEU 21 HD13 LEU 21 -10.383 17.624 28.771 730 HD21 LEU 21 HD21 LEU 21 -8.462 15.767 27.358 731 HD22 LEU 21 HD22 LEU 21 -8.164 16.728 28.834 732 HD23 LEU 21 HD23 LEU 21 -7.055 16.879 27.456 733 H LEU 22 H LEU 22 -11.546 17.591 24.475 734 HA LEU 22 HA LEU 22 -12.268 15.252 26.070 735 HB2 LEU 22 HB2 LEU 22 -13.589 17.247 26.242 736 HB3 LEU 22 HB3 LEU 22 -13.928 17.290 24.520 737 HG LEU 22 HG LEU 22 -15.822 16.651 25.983 738 HD11 LEU 22 HD11 LEU 22 -16.801 15.069 24.600 739 HD12 LEU 22 HD12 LEU 22 -15.285 14.244 24.249 740 HD13 LEU 22 HD13 LEU 22 -15.591 15.826 23.542 741 HD21 LEU 22 HD21 LEU 22 -14.542 15.338 27.635 742 HD22 LEU 22 HD22 LEU 22 -14.315 14.048 26.462 743 HD23 LEU 22 HD23 LEU 22 -15.954 14.455 27.016 744 H ASN 23 H ASN 23 -12.520 16.231 22.720 745 HA ASN 23 HA ASN 23 -13.692 13.986 21.542 746 HB2 ASN 23 HB2 ASN 23 -11.871 16.259 20.691 747 HB3 ASN 23 HB3 ASN 23 -12.346 15.095 19.548 748 HD21 ASN 23 HD21 ASN 23 -13.047 17.731 19.366 749 HD22 ASN 23 HD22 ASN 23 -14.780 17.883 19.587 750 H ILE 24 H ILE 24 -10.263 14.293 22.452 751 HA ILE 24 HA ILE 24 -9.714 11.632 21.241 752 HB ILE 24 HB ILE 24 -7.485 11.808 22.023 753 HG12 ILE 24 HG12 ILE 24 -8.412 14.249 23.514 754 HG13 ILE 24 HG13 ILE 24 -7.658 12.816 24.139 755 HG21 ILE 24 HG21 ILE 24 -8.121 12.788 19.860 756 HG22 ILE 24 HG22 ILE 24 -8.295 14.375 20.622 757 HG23 ILE 24 HG23 ILE 24 -6.715 13.577 20.570 758 HD11 ILE 24 HD11 ILE 24 -5.525 13.442 22.966 759 HD12 ILE 24 HD12 ILE 24 -6.296 14.977 22.485 760 HD13 ILE 24 HD13 ILE 24 -6.051 14.607 24.199 761 H LEU 25 H LEU 25 -10.476 12.985 24.421 762 HA LEU 25 HA LEU 25 -9.772 10.676 25.929 763 HB2 LEU 25 HB2 LEU 25 -9.982 12.962 26.786 764 HB3 LEU 25 HB3 LEU 25 -11.708 12.961 26.444 765 HG LEU 25 HG LEU 25 -12.042 11.159 28.139 766 HD11 LEU 25 HD11 LEU 25 -9.799 10.147 28.144 767 HD12 LEU 25 HD12 LEU 25 -10.191 10.746 29.761 768 HD13 LEU 25 HD13 LEU 25 -9.089 11.674 28.716 769 HD21 LEU 25 HD21 LEU 25 -12.353 13.530 28.709 770 HD22 LEU 25 HD22 LEU 25 -10.630 13.675 29.117 771 HD23 LEU 25 HD23 LEU 25 -11.694 12.635 30.089 772 H ILE 26 H ILE 26 -12.681 11.537 24.139 773 HA ILE 26 HA ILE 26 -14.186 9.155 25.003 774 HB ILE 26 HB ILE 26 -15.995 9.972 23.665 775 HG12 ILE 26 HG12 ILE 26 -14.363 12.393 22.841 776 HG13 ILE 26 HG13 ILE 26 -14.524 11.022 21.780 777 HG21 ILE 26 HG21 ILE 26 -15.627 10.841 25.947 778 HG22 ILE 26 HG22 ILE 26 -14.743 12.225 25.278 779 HG23 ILE 26 HG23 ILE 26 -16.468 12.005 24.918 780 HD11 ILE 26 HD11 ILE 26 -16.136 12.701 21.160 781 HD12 ILE 26 HD12 ILE 26 -17.002 11.292 21.805 782 HD13 ILE 26 HD13 ILE 26 -16.806 12.756 22.797 783 H ASN 27 H ASN 27 -15.335 8.931 22.216 784 HA ASN 27 HA ASN 27 -13.960 6.630 21.286 785 HB2 ASN 27 HB2 ASN 27 -16.054 8.382 19.936 786 HB3 ASN 27 HB3 ASN 27 -15.689 6.709 19.521 787 HD21 ASN 27 HD21 ASN 27 -17.619 8.733 21.585 788 HD22 ASN 27 HD22 ASN 27 -18.261 7.415 22.545 789 H HIS 28 H HIS 28 -12.388 9.230 21.165 790 HA HIS 28 HA HIS 28 -10.729 10.169 20.084 791 HB2 HIS 28 HB2 HIS 28 -10.760 7.911 18.090 792 HB3 HIS 28 HB3 HIS 28 -9.424 8.982 18.473 793 HD1 HIS 28 HD1 HIS 28 -10.791 5.685 19.454 794 HD2 HIS 28 HD2 HIS 28 -8.483 8.755 21.175 795 HE1 HIS 28 HE1 HIS 28 -9.597 4.645 21.456 796 H GLU 29 H GLU 29 -9.991 11.475 18.509 797 HA GLU 29 HA GLU 29 -10.047 13.075 16.950 798 HB2 GLU 29 HB2 GLU 29 -9.784 12.183 14.759 799 HB3 GLU 29 HB3 GLU 29 -9.078 11.112 15.957 800 HG2 GLU 29 HG2 GLU 29 -11.030 9.590 15.775 801 HG3 GLU 29 HG3 GLU 29 -11.771 10.672 14.592 802 H TYR 30 H TYR 30 -12.886 12.890 18.044 803 HA TYR 30 HA TYR 30 -14.721 13.153 15.990 804 HB2 TYR 30 HB2 TYR 30 -15.256 12.939 18.415 805 HB3 TYR 30 HB3 TYR 30 -14.777 14.635 18.623 806 HD1 TYR 30 HD2 TYR 30 -17.036 12.606 16.370 807 HD2 TYR 30 HD1 TYR 30 -16.442 16.266 18.577 808 HE1 TYR 30 HE2 TYR 30 -19.250 13.429 15.606 809 HE2 TYR 30 HE1 TYR 30 -18.685 17.045 17.904 810 HH TYR 30 HH TYR 30 -20.841 15.078 15.800 811 H ALA 31 H ALA 31 -12.665 15.819 17.204 812 HA ALA 31 HA ALA 31 -13.785 18.040 16.071 813 HB1 ALA 31 HB1 ALA 31 -10.854 17.177 16.117 814 HB2 ALA 31 HB2 ALA 31 -11.405 18.835 15.858 815 HB3 ALA 31 HB3 ALA 31 -11.731 18.016 17.413 816 H ILE 32 H ILE 32 -11.887 15.575 14.326 817 HA ILE 32 HA ILE 32 -11.751 16.935 11.869 818 HB ILE 32 HB ILE 32 -11.382 14.067 12.721 819 HG12 ILE 32 HG12 ILE 32 -9.002 14.468 12.259 820 HG13 ILE 32 HG13 ILE 32 -9.344 16.132 11.782 821 HG21 ILE 32 HG21 ILE 32 -12.014 13.968 10.377 822 HG22 ILE 32 HG22 ILE 32 -10.828 15.254 10.000 823 HG23 ILE 32 HG23 ILE 32 -10.281 13.655 10.573 824 HD11 ILE 32 HD11 ILE 32 -9.818 16.753 14.039 825 HD12 ILE 32 HD12 ILE 32 -9.942 15.041 14.558 826 HD13 ILE 32 HD13 ILE 32 -8.380 15.732 14.126 827 H GLU 33 H GLU 33 -14.179 14.625 13.043 828 HA GLU 33 HA GLU 33 -15.650 14.311 10.635 829 HB2 GLU 33 HB2 GLU 33 -15.959 13.176 12.909 830 HB3 GLU 33 HB3 GLU 33 -16.978 14.540 13.353 831 HG2 GLU 33 HG2 GLU 33 -17.403 12.711 10.941 832 HG3 GLU 33 HG3 GLU 33 -18.149 12.452 12.510 833 H LEU 34 H LEU 34 -15.856 16.858 13.129 834 HA LEU 34 HA LEU 34 -17.740 18.545 11.816 835 HB2 LEU 34 HB2 LEU 34 -15.537 18.970 13.875 836 HB3 LEU 34 HB3 LEU 34 -16.312 20.348 13.158 837 HG LEU 34 HG LEU 34 -17.151 19.597 15.380 838 HD11 LEU 34 HD11 LEU 34 -19.511 20.061 14.880 839 HD12 LEU 34 HD12 LEU 34 -19.265 19.634 13.175 840 HD13 LEU 34 HD13 LEU 34 -18.485 21.074 13.855 841 HD21 LEU 34 HD21 LEU 34 -18.781 17.855 15.572 842 HD22 LEU 34 HD22 LEU 34 -17.202 17.194 15.098 843 HD23 LEU 34 HD23 LEU 34 -18.517 17.347 13.900 844 H LEU 35 H LEU 35 -14.101 18.513 11.677 845 HA LEU 35 HA LEU 35 -13.722 20.684 10.011 846 HB2 LEU 35 HB2 LEU 35 -11.989 19.148 11.028 847 HB3 LEU 35 HB3 LEU 35 -12.262 17.997 9.741 848 HG LEU 35 HG LEU 35 -11.289 20.816 9.210 849 HD11 LEU 35 HD11 LEU 35 -9.731 19.441 10.684 850 HD12 LEU 35 HD12 LEU 35 -9.076 19.900 9.116 851 HD13 LEU 35 HD13 LEU 35 -9.668 18.236 9.389 852 HD21 LEU 35 HD21 LEU 35 -10.345 19.706 7.133 853 HD22 LEU 35 HD22 LEU 35 -12.088 19.870 7.143 854 HD23 LEU 35 HD23 LEU 35 -11.357 18.293 7.520 855 H SER 36 H SER 36 -14.290 17.292 8.710 856 HA SER 36 HA SER 36 -14.420 18.126 6.018 857 HB2 SER 36 HB2 SER 36 -15.938 15.819 7.258 858 HB3 SER 36 HB3 SER 36 -15.383 15.972 5.576 859 HG SER 36 HG SER 36 -13.994 14.669 6.965 860 H SER 37 H SER 37 -17.105 17.666 8.406 861 HA SER 37 HA SER 37 -19.118 18.177 6.471 862 HB2 SER 37 HB2 SER 37 -19.412 17.192 8.807 863 HB3 SER 37 HB3 SER 37 -19.313 18.831 9.463 864 HG SER 37 HG SER 37 -21.181 19.369 8.273 865 H GLU 38 H GLU 38 -17.188 20.227 8.500 866 HA GLU 38 HA GLU 38 -18.578 22.749 8.187 867 HB2 GLU 38 HB2 GLU 38 -15.881 21.919 9.322 868 HB3 GLU 38 HB3 GLU 38 -16.216 23.588 9.112 869 HG2 GLU 38 HG2 GLU 38 -17.968 21.714 10.760 870 HG3 GLU 38 HG3 GLU 38 -16.699 22.747 11.407 871 H ILE 39 H ILE 39 -15.524 21.492 6.669 872 HA ILE 39 HA ILE 39 -15.117 23.874 5.121 873 HB ILE 39 HB ILE 39 -13.785 22.493 3.624 874 HG12 ILE 39 HG12 ILE 39 -13.094 20.185 4.794 875 HG13 ILE 39 HG13 ILE 39 -14.782 20.196 5.204 876 HG21 ILE 39 HG21 ILE 39 -12.016 22.066 5.289 877 HG22 ILE 39 HG22 ILE 39 -12.887 23.566 5.630 878 HG23 ILE 39 HG23 ILE 39 -13.226 22.119 6.593 879 HD11 ILE 39 HD11 ILE 39 -14.421 18.971 3.138 880 HD12 ILE 39 HD12 ILE 39 -15.276 20.470 2.701 881 HD13 ILE 39 HD13 ILE 39 -13.530 20.341 2.434 882 H ASN 40 H ASN 40 -16.950 20.926 4.500 883 HA ASN 40 HA ASN 40 -17.891 21.937 1.925 884 HB2 ASN 40 HB2 ASN 40 -19.118 19.797 3.675 885 HB3 ASN 40 HB3 ASN 40 -19.585 20.189 2.016 886 HD21 ASN 40 HD22 ASN 40 -17.168 18.764 3.966 887 HD22 ASN 40 HD21 ASN 40 -16.305 18.017 2.634 888 H ASP 41 H ASP 41 -19.112 22.533 5.209 889 HA ASP 41 HA ASP 41 -21.614 23.708 4.355 890 HB2 ASP 41 HB2 ASP 41 -20.844 23.056 6.740 891 HB3 ASP 41 HB3 ASP 41 -20.037 24.624 6.770 892 H ILE 42 H ILE 42 -18.281 24.963 4.513 893 HA ILE 42 HA ILE 42 -19.093 27.659 3.594 894 HB ILE 42 HB ILE 42 -16.343 26.353 3.710 895 HG12 ILE 42 HG12 ILE 42 -15.922 28.183 5.406 896 HG13 ILE 42 HG13 ILE 42 -17.641 28.565 5.383 897 HG21 ILE 42 HG21 ILE 42 -15.456 28.634 3.230 898 HG22 ILE 42 HG22 ILE 42 -16.339 27.974 1.865 899 HG23 ILE 42 HG23 ILE 42 -17.109 29.196 2.904 900 HD11 ILE 42 HD11 ILE 42 -18.156 26.345 6.318 901 HD12 ILE 42 HD12 ILE 42 -16.444 25.878 6.117 902 HD13 ILE 42 HD13 ILE 42 -16.894 27.103 7.303 903 H GLU 43 H GLU 43 -17.561 24.804 2.019 904 HA GLU 43 HA GLU 43 -17.238 26.047 -0.494 905 HB2 GLU 43 HB2 GLU 43 -16.151 23.918 0.549 906 HB3 GLU 43 HB3 GLU 43 -17.521 23.046 -0.089 907 HG2 GLU 43 HG2 GLU 43 -15.782 22.803 -1.676 908 HG3 GLU 43 HG3 GLU 43 -16.929 23.920 -2.398 909 H THR 44 H THR 44 -19.771 23.774 0.555 910 HA THR 44 HA THR 44 -21.370 24.445 -1.890 911 HB THR 44 HB THR 44 -20.563 22.203 -2.078 912 HG1 THR 44 HG1 THR 44 -22.634 22.530 -2.817 913 HG21 THR 44 HG21 THR 44 -21.329 20.414 -0.505 914 HG22 THR 44 HG22 THR 44 -21.833 21.689 0.633 915 HG23 THR 44 HG23 THR 44 -20.123 21.513 0.166 916 H GLY 45 H GLY 45 -21.551 23.972 1.697 917 HA2 GLY 45 HA2 GLY 45 -24.368 24.565 1.831 918 HA3 GLY 45 HA3 GLY 45 -23.190 24.776 3.124 919 H THR 46 H THR 46 -21.629 26.626 1.293 920 HA THR 46 HA THR 46 -21.315 28.779 0.854 921 HB THR 46 HB THR 46 -22.994 30.153 -0.281 922 HG1 THR 46 HG1 THR 46 -24.864 29.163 0.669 923 HG21 THR 46 HG21 THR 46 -21.489 28.643 -1.522 924 HG22 THR 46 HG22 THR 46 -23.062 28.816 -2.318 925 HG23 THR 46 HG23 THR 46 -22.692 27.340 -1.403 926 H LYS 47 H LYS 47 -21.199 28.470 3.294 927 HA LYS 47 HA LYS 47 -22.609 30.152 5.088 928 HB2 LYS 47 HB2 LYS 47 -19.644 29.519 4.830 929 HB3 LYS 47 HB3 LYS 47 -20.273 30.486 6.140 930 HG2 LYS 47 HG2 LYS 47 -21.219 27.665 5.580 931 HG3 LYS 47 HG3 LYS 47 -19.894 28.033 6.666 932 HD2 LYS 47 HD2 LYS 47 -22.768 29.003 6.987 933 HD3 LYS 47 HD3 LYS 47 -22.101 27.595 7.773 934 HE2 LYS 47 HE2 LYS 47 -21.069 30.430 8.206 935 HE3 LYS 47 HE3 LYS 47 -22.213 29.581 9.249 936 HZ1 LYS 47 HZ1 LYS 47 -20.463 27.840 9.543 937 HZ2 LYS 47 HZ2 LYS 47 -20.047 29.289 10.167 938 HZ3 LYS 47 HZ3 LYS 47 -19.388 28.804 8.754 939 H ASN 48 H ASN 48 -22.496 32.239 5.654 940 HA ASN 48 HA ASN 48 -21.226 34.239 3.848 941 HB2 ASN 48 HB2 ASN 48 -23.447 33.608 2.904 942 HB3 ASN 48 HB3 ASN 48 -24.219 34.063 4.423 943 HD21 ASN 48 HD21 ASN 48 -25.407 35.421 2.686 944 HD22 ASN 48 HD22 ASN 48 -24.727 37.015 2.389 945 H VAL 49 H VAL 49 -19.889 34.718 5.593 946 HA VAL 49 HA VAL 49 -20.882 36.611 7.577 947 HB VAL 49 HB VAL 49 -21.377 34.555 8.740 948 HG11 VAL 49 HG11 VAL 49 -19.893 32.970 7.609 949 HG12 VAL 49 HG12 VAL 49 -18.483 33.747 8.367 950 HG13 VAL 49 HG13 VAL 49 -19.693 32.899 9.363 951 HG21 VAL 49 HG21 VAL 49 -20.415 36.388 10.137 952 HG22 VAL 49 HG22 VAL 49 -20.167 34.761 10.802 953 HG23 VAL 49 HG23 VAL 49 -18.824 35.591 10.016 954 H ASP 50 H ASP 50 -19.024 37.453 8.869 955 HA ASP 50 HA ASP 50 -16.655 38.133 7.358 956 HB2 ASP 50 HB2 ASP 50 -17.931 39.473 9.136 957 HB3 ASP 50 HB3 ASP 50 -17.221 38.396 10.335 958 H GLY 51 H GLY 51 -14.505 37.864 8.990 959 HA2 GLY 51 HA2 GLY 51 -13.358 35.492 8.469 960 HA3 GLY 51 HA3 GLY 51 -12.860 36.493 9.814 961 H THR 52 H THR 52 -15.816 35.565 10.854 962 HA THR 52 HA THR 52 -15.031 33.700 12.820 963 HB THR 52 HB THR 52 -17.699 34.085 11.403 964 HG1 THR 52 HG1 THR 52 -18.119 35.378 13.220 965 HG21 THR 52 HG21 THR 52 -17.687 31.955 12.627 966 HG22 THR 52 HG22 THR 52 -18.704 33.152 13.443 967 HG23 THR 52 HG23 THR 52 -17.069 32.779 14.079 968 H THR 53 H THR 53 -16.873 32.816 9.751 969 HA THR 53 HA THR 53 -16.401 30.072 10.170 970 HB THR 53 HB THR 53 -18.224 31.240 8.884 971 HG1 THR 53 HG1 THR 53 -16.952 29.025 7.713 972 HG21 THR 53 HG21 THR 53 -16.798 32.546 7.285 973 HG22 THR 53 HG22 THR 53 -18.031 31.540 6.507 974 HG23 THR 53 HG23 THR 53 -16.341 31.011 6.504 975 H TYR 54 H TYR 54 -14.541 32.428 8.327 976 HA TYR 54 HA TYR 54 -12.684 30.724 6.969 977 HB2 TYR 54 HB2 TYR 54 -12.394 33.467 8.278 978 HB3 TYR 54 HB3 TYR 54 -11.109 32.705 7.385 979 HD1 TYR 54 HD1 TYR 54 -14.521 34.168 7.031 980 HD2 TYR 54 HD2 TYR 54 -11.110 32.480 4.982 981 HE1 TYR 54 HE1 TYR 54 -15.420 34.993 4.859 982 HE2 TYR 54 HE2 TYR 54 -12.015 33.307 2.811 983 HH TYR 54 HH TYR 54 -13.709 34.436 1.756 984 H LYS 55 H LYS 55 -12.400 32.356 10.174 985 HA LYS 55 HA LYS 55 -10.114 31.116 10.972 986 HB2 LYS 55 HB2 LYS 55 -11.055 33.227 11.775 987 HB3 LYS 55 HB3 LYS 55 -12.340 32.397 12.571 988 HG2 LYS 55 HG2 LYS 55 -10.620 32.558 14.321 989 HG3 LYS 55 HG3 LYS 55 -10.205 31.011 13.638 990 HD2 LYS 55 HD2 LYS 55 -8.870 32.492 11.849 991 HD3 LYS 55 HD3 LYS 55 -8.920 33.699 13.127 992 HE2 LYS 55 HE2 LYS 55 -7.950 32.036 14.745 993 HE3 LYS 55 HE3 LYS 55 -7.809 30.870 13.427 994 HZ1 LYS 55 HZ1 LYS 55 -5.718 32.064 13.780 995 HZ2 LYS 55 HZ2 LYS 55 -6.433 33.507 13.531 996 HZ3 LYS 55 HZ3 LYS 55 -6.299 32.440 12.301 997 H LYS 56 H LYS 56 -13.469 30.007 11.689 998 HA LYS 56 HA LYS 56 -12.650 27.683 13.164 999 HB2 LYS 56 HB2 LYS 56 -15.136 28.311 11.596 1000 HB3 LYS 56 HB3 LYS 56 -14.841 26.660 12.163 1001 HG2 LYS 56 HG2 LYS 56 -16.107 27.623 13.870 1002 HG3 LYS 56 HG3 LYS 56 -14.475 27.711 14.505 1003 HD2 LYS 56 HD2 LYS 56 -14.389 30.107 13.772 1004 HD3 LYS 56 HD3 LYS 56 -16.036 29.982 13.112 1005 HE2 LYS 56 HE2 LYS 56 -15.277 29.297 15.939 1006 HE3 LYS 56 HE3 LYS 56 -15.715 30.957 15.472 1007 HZ1 LYS 56 HZ1 LYS 56 -17.630 29.817 16.370 1008 HZ2 LYS 56 HZ2 LYS 56 -17.462 28.555 15.368 1009 HZ3 LYS 56 HZ3 LYS 56 -17.910 30.024 14.773 1010 H LEU 57 H LEU 57 -12.943 28.063 9.638 1011 HA LEU 57 HA LEU 57 -12.354 25.321 9.010 1012 HB2 LEU 57 HB2 LEU 57 -13.649 26.713 7.701 1013 HB3 LEU 57 HB3 LEU 57 -12.421 27.951 7.482 1014 HG LEU 57 HG LEU 57 -11.869 25.170 6.471 1015 HD11 LEU 57 HD11 LEU 57 -13.420 27.343 4.977 1016 HD12 LEU 57 HD12 LEU 57 -14.114 25.828 5.583 1017 HD13 LEU 57 HD13 LEU 57 -12.895 25.786 4.299 1018 HD21 LEU 57 HD21 LEU 57 -10.008 26.766 6.329 1019 HD22 LEU 57 HD22 LEU 57 -11.066 27.937 5.513 1020 HD23 LEU 57 HD23 LEU 57 -10.620 26.414 4.717 1021 H VAL 58 H VAL 58 -10.312 28.245 9.129 1022 HA VAL 58 HA VAL 58 -7.961 26.745 8.356 1023 HB VAL 58 HB VAL 58 -8.523 29.116 7.731 1024 HG11 VAL 58 HG11 VAL 58 -8.942 29.793 10.147 1025 HG12 VAL 58 HG12 VAL 58 -7.192 29.940 10.329 1026 HG13 VAL 58 HG13 VAL 58 -8.064 30.937 9.127 1027 HG21 VAL 58 HG21 VAL 58 -6.211 29.866 7.643 1028 HG22 VAL 58 HG22 VAL 58 -5.746 28.638 8.840 1029 HG23 VAL 58 HG23 VAL 58 -6.353 28.151 7.229 1030 H THR 59 H THR 59 -9.413 27.523 11.419 1031 HA THR 59 HA THR 59 -7.004 27.043 12.999 1032 HB THR 59 HB THR 59 -8.980 28.408 13.788 1033 HG1 THR 59 HG1 THR 59 -7.398 27.972 15.193 1034 HG21 THR 59 HG21 THR 59 -10.098 25.640 14.427 1035 HG22 THR 59 HG22 THR 59 -10.774 26.893 13.407 1036 HG23 THR 59 HG23 THR 59 -10.645 27.159 15.144 1037 H LEU 60 H LEU 60 -9.784 25.120 11.893 1038 HA LEU 60 HA LEU 60 -9.364 22.712 13.239 1039 HB2 LEU 60 HB2 LEU 60 -10.540 23.403 10.630 1040 HB3 LEU 60 HB3 LEU 60 -9.851 21.802 10.684 1041 HG LEU 60 HG LEU 60 -12.131 21.631 11.200 1042 HD11 LEU 60 HD11 LEU 60 -10.900 21.299 13.940 1043 HD12 LEU 60 HD12 LEU 60 -10.664 20.135 12.620 1044 HD13 LEU 60 HD13 LEU 60 -12.292 20.463 13.222 1045 HD21 LEU 60 HD21 LEU 60 -11.668 23.757 13.256 1046 HD22 LEU 60 HD22 LEU 60 -13.138 22.723 13.226 1047 HD23 LEU 60 HD23 LEU 60 -12.747 23.740 11.838 1048 H TYR 61 H TYR 61 -7.788 23.524 10.147 1049 HA TYR 61 HA TYR 61 -5.884 21.323 10.384 1050 HB2 TYR 61 HB2 TYR 61 -5.242 21.688 8.306 1051 HB3 TYR 61 HB3 TYR 61 -6.587 22.824 8.217 1052 HD1 TYR 61 HD1 TYR 61 -6.115 25.305 8.294 1053 HD2 TYR 61 HD2 TYR 61 -2.927 22.422 8.411 1054 HE1 TYR 61 HE1 TYR 61 -4.433 27.097 7.844 1055 HE2 TYR 61 HE2 TYR 61 -1.281 24.186 7.912 1056 HH TYR 61 HH TYR 61 -2.219 27.626 7.593 1057 H ASP 62 H ASP 62 -5.709 24.692 11.224 1058 HA ASP 62 HA ASP 62 -2.979 24.968 11.905 1059 HB2 ASP 62 HB2 ASP 62 -4.606 26.855 11.951 1060 HB3 ASP 62 HB3 ASP 62 -5.238 26.192 13.475 1061 H ARG 63 H ARG 63 -5.479 23.178 13.668 1062 HA ARG 63 HA ARG 63 -3.404 22.455 15.746 1063 HB2 ARG 63 HB2 ARG 63 -6.028 23.184 16.083 1064 HB3 ARG 63 HB3 ARG 63 -6.188 21.498 16.055 1065 HG2 ARG 63 HG2 ARG 63 -5.886 21.481 18.204 1066 HG3 ARG 63 HG3 ARG 63 -4.160 21.540 17.841 1067 HD2 ARG 63 HD2 ARG 63 -6.002 23.850 18.020 1068 HD3 ARG 63 HD3 ARG 63 -5.105 23.301 19.467 1069 HE ARG 63 HE ARG 63 -2.996 23.845 18.293 1070 HH11 ARG 63 HH12 ARG 63 -5.798 25.798 17.264 1071 HH12 ARG 63 HH11 ARG 63 -4.736 26.701 16.179 1072 HH21 ARG 63 HH21 ARG 63 -1.848 25.282 17.010 1073 HH22 ARG 63 HH22 ARG 63 -2.751 26.503 16.135 1074 H PHE 64 H PHE 64 -5.757 20.946 13.544 1075 HA PHE 64 HA PHE 64 -5.114 18.282 14.228 1076 HB2 PHE 64 HB2 PHE 64 -7.131 18.739 13.087 1077 HB3 PHE 64 HB3 PHE 64 -6.281 19.545 11.769 1078 HD1 PHE 64 HD1 PHE 64 -6.336 16.183 13.522 1079 HD2 PHE 64 HD2 PHE 64 -5.833 18.274 9.810 1080 HE1 PHE 64 HE1 PHE 64 -6.171 14.012 12.325 1081 HE2 PHE 64 HE2 PHE 64 -5.638 16.119 8.606 1082 HZ PHE 64 HZ PHE 64 -5.833 13.971 9.864 1083 H ARG 65 H ARG 65 -3.750 20.201 11.464 1084 HA ARG 65 HA ARG 65 -2.108 18.017 10.476 1085 HB2 ARG 65 HB2 ARG 65 -2.350 21.023 9.979 1086 HB3 ARG 65 HB3 ARG 65 -1.284 20.059 9.093 1087 HG2 ARG 65 HG2 ARG 65 -4.275 19.822 9.083 1088 HG3 ARG 65 HG3 ARG 65 -3.265 20.401 7.754 1089 HD2 ARG 65 HD2 ARG 65 -3.298 17.604 8.836 1090 HD3 ARG 65 HD3 ARG 65 -4.162 18.128 7.404 1091 HE ARG 65 HE ARG 65 -1.982 18.622 6.324 1092 HH11 ARG 65 HH11 ARG 65 -1.854 16.301 8.961 1093 HH12 ARG 65 HH12 ARG 65 -0.785 15.257 8.061 1094 HH21 ARG 65 HH21 ARG 65 -0.551 17.363 5.364 1095 HH22 ARG 65 HH22 ARG 65 0.130 15.973 6.197 1096 H PHE 66 H PHE 66 -1.646 20.759 12.410 1097 HA PHE 66 HA PHE 66 1.258 20.360 12.794 1098 HB2 PHE 66 HB2 PHE 66 -0.647 22.447 13.851 1099 HB3 PHE 66 HB3 PHE 66 1.041 22.380 14.303 1100 HD1 PHE 66 HD1 PHE 66 2.820 22.378 12.379 1101 HD2 PHE 66 HD2 PHE 66 -1.263 23.655 11.915 1102 HE1 PHE 66 HE1 PHE 66 3.474 23.747 10.408 1103 HE2 PHE 66 HE2 PHE 66 -0.599 25.089 9.994 1104 HZ PHE 66 HZ PHE 66 1.765 25.112 9.218 1105 H GLU 67 H GLU 67 -1.432 20.534 15.268 1106 HA GLU 67 HA GLU 67 0.637 19.893 17.300 1107 HB2 GLU 67 HB2 GLU 67 -2.170 21.062 17.401 1108 HB3 GLU 67 HB3 GLU 67 -1.240 20.679 18.828 1109 HG2 GLU 67 HG2 GLU 67 -0.530 22.670 16.645 1110 HG3 GLU 67 HG3 GLU 67 -1.122 23.068 18.248 1111 H ASN 68 H ASN 68 -2.442 18.697 16.247 1112 HA ASN 68 HA ASN 68 -2.850 16.899 18.509 1113 HB2 ASN 68 HB2 ASN 68 -4.399 16.910 15.884 1114 HB3 ASN 68 HB3 ASN 68 -4.897 16.237 17.447 1115 HD21 ASN 68 HD22 ASN 68 -4.078 18.438 19.103 1116 HD22 ASN 68 HD21 ASN 68 -5.475 19.475 18.889 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -4.244 -7.830 1.973 2 H2 GLY 1 H2 GLY 1 -4.311 -7.177 3.474 3 H3 GLY 1 H3 GLY 1 -3.566 -8.618 3.240 4 HA2 GLY 1 HA2 GLY 1 -1.916 -6.902 3.531 5 HA3 GLY 1 HA3 GLY 1 -1.854 -7.589 1.898 6 H SER 2 H SER 2 -0.952 -5.734 0.969 7 HA SER 2 HA SER 2 -2.202 -3.105 1.181 8 HB2 SER 2 HB2 SER 2 -0.405 -2.473 -0.440 9 HB3 SER 2 HB3 SER 2 0.174 -3.231 1.046 10 HG SER 2 HG SER 2 -0.006 -4.382 -1.552 11 H HIS 3 H HIS 3 -2.624 -1.836 -0.843 12 HA HIS 3 HA HIS 3 -3.805 -3.329 -3.095 13 HB2 HIS 3 HB2 HIS 3 -5.569 -2.850 -1.246 14 HB3 HIS 3 HB3 HIS 3 -5.445 -1.149 -1.711 15 HD1 HIS 3 HD1 HIS 3 -6.570 -0.523 -4.070 16 HD2 HIS 3 HD2 HIS 3 -6.603 -4.606 -3.045 17 HE1 HIS 3 HE1 HIS 3 -8.160 -1.675 -5.723 18 H MET 4 H MET 4 -4.431 -1.779 -4.893 19 HA MET 4 HA MET 4 -2.534 0.445 -5.225 20 HB2 MET 4 HB2 MET 4 -3.632 0.834 -7.357 21 HB3 MET 4 HB3 MET 4 -3.128 -0.847 -7.191 22 HG2 MET 4 HG2 MET 4 -5.416 -1.548 -6.736 23 HG3 MET 4 HG3 MET 4 -5.968 0.131 -6.698 24 HE1 MET 4 HE1 MET 4 -7.430 -2.103 -8.360 25 HE2 MET 4 HE2 MET 4 -7.941 -0.398 -8.332 26 HE3 MET 4 HE3 MET 4 -7.739 -1.240 -9.883 27 H ARG 5 H ARG 5 -3.072 2.640 -5.310 28 HA ARG 5 HA ARG 5 -5.684 3.533 -4.161 29 HB2 ARG 5 HB2 ARG 5 -3.902 3.249 -2.440 30 HB3 ARG 5 HB3 ARG 5 -2.929 4.467 -3.238 31 HG2 ARG 5 HG2 ARG 5 -4.907 6.061 -2.866 32 HG3 ARG 5 HG3 ARG 5 -5.667 4.859 -1.968 33 HD2 ARG 5 HD2 ARG 5 -4.628 6.447 -0.499 34 HD3 ARG 5 HD3 ARG 5 -4.240 4.754 -0.209 35 HE ARG 5 HE ARG 5 -2.209 6.074 -1.821 36 HH11 ARG 5 HH11 ARG 5 -3.323 5.692 1.495 37 HH12 ARG 5 HH12 ARG 5 -1.734 5.988 2.150 38 HH21 ARG 5 HH21 ARG 5 -0.202 6.444 -0.892 39 HH22 ARG 5 HH22 ARG 5 -0.023 6.392 0.836 40 H MET 6 H MET 6 -6.381 5.548 -4.938 41 HA MET 6 HA MET 6 -4.492 6.928 -6.744 42 HB2 MET 6 HB2 MET 6 -7.483 6.761 -7.222 43 HB3 MET 6 HB3 MET 6 -6.276 7.417 -8.321 44 HG2 MET 6 HG2 MET 6 -6.592 4.516 -7.486 45 HG3 MET 6 HG3 MET 6 -7.146 5.210 -9.005 46 HE1 MET 6 HE1 MET 6 -4.227 2.719 -9.960 47 HE2 MET 6 HE2 MET 6 -5.311 2.562 -8.562 48 HE3 MET 6 HE3 MET 6 -5.958 3.078 -10.136 49 H SER 7 H SER 7 -4.025 7.987 -4.697 50 HA SER 7 HA SER 7 -5.966 9.779 -3.550 51 HB2 SER 7 HB2 SER 7 -2.954 9.689 -3.240 52 HB3 SER 7 HB3 SER 7 -4.020 10.801 -2.351 53 HG SER 7 HG SER 7 -3.404 8.497 -1.528 54 H LEU 8 H LEU 8 -5.365 12.471 -6.060 55 HA LEU 8 HA LEU 8 -7.544 10.993 -4.797 56 HB2 LEU 8 HB2 LEU 8 -7.108 14.052 -4.936 57 HB3 LEU 8 HB3 LEU 8 -8.595 13.307 -4.533 58 HG LEU 8 HG LEU 8 -6.320 12.350 -2.834 59 HD11 LEU 8 HD11 LEU 8 -5.701 14.690 -2.987 60 HD12 LEU 8 HD12 LEU 8 -6.430 14.351 -1.411 61 HD13 LEU 8 HD13 LEU 8 -7.390 15.182 -2.671 62 HD21 LEU 8 HD21 LEU 8 -8.111 12.540 -1.175 63 HD22 LEU 8 HD22 LEU 8 -8.711 11.742 -2.673 64 HD23 LEU 8 HD23 LEU 8 -9.100 13.446 -2.351 65 H ILE 9 H ILE 9 -9.149 10.717 -6.403 66 HA ILE 9 HA ILE 9 -8.534 11.612 -9.080 67 HB ILE 9 HB ILE 9 -11.088 10.224 -8.291 68 HG12 ILE 9 HG12 ILE 9 -8.301 9.029 -8.183 69 HG13 ILE 9 HG13 ILE 9 -9.502 9.034 -6.934 70 HG21 ILE 9 HG21 ILE 9 -10.588 10.883 -10.688 71 HG22 ILE 9 HG22 ILE 9 -9.164 9.821 -10.629 72 HG23 ILE 9 HG23 ILE 9 -10.802 9.152 -10.470 73 HD11 ILE 9 HD11 ILE 9 -9.619 7.351 -9.420 74 HD12 ILE 9 HD12 ILE 9 -9.654 6.879 -7.706 75 HD13 ILE 9 HD13 ILE 9 -11.047 7.702 -8.402 76 H GLY 10 H GLY 10 -10.895 12.538 -6.654 77 HA2 GLY 10 HA2 GLY 10 -12.122 14.605 -6.617 78 HA3 GLY 10 HA3 GLY 10 -11.960 14.757 -8.345 79 H GLU 11 H GLU 11 -12.811 11.548 -7.759 80 HA GLU 11 HA GLU 11 -15.705 12.018 -7.249 81 HB2 GLU 11 HB2 GLU 11 -14.699 10.224 -9.495 82 HB3 GLU 11 HB3 GLU 11 -16.361 10.348 -8.920 83 HG2 GLU 11 HG2 GLU 11 -16.396 12.768 -9.552 84 HG3 GLU 11 HG3 GLU 11 -14.772 12.597 -10.226 85 H ARG 12 H ARG 12 -13.457 9.319 -7.962 86 HA ARG 12 HA ARG 12 -12.836 7.477 -6.805 87 HB2 ARG 12 HB2 ARG 12 -13.549 8.728 -4.180 88 HB3 ARG 12 HB3 ARG 12 -12.404 7.514 -4.618 89 HG2 ARG 12 HG2 ARG 12 -10.823 9.114 -4.533 90 HG3 ARG 12 HG3 ARG 12 -11.406 9.593 -6.104 91 HD2 ARG 12 HD2 ARG 12 -11.288 11.562 -4.723 92 HD3 ARG 12 HD3 ARG 12 -12.992 11.208 -4.968 93 HE ARG 12 HE ARG 12 -11.393 10.718 -2.473 94 HH11 ARG 12 HH21 ARG 12 -14.541 11.395 -3.860 95 HH12 ARG 12 HH22 ARG 12 -15.231 11.683 -2.311 96 HH21 ARG 12 HH12 ARG 12 -12.438 11.051 -0.506 97 HH22 ARG 12 HH11 ARG 12 -14.146 11.364 -0.502 98 H PHE 13 H PHE 13 -15.265 7.292 -7.870 99 HA PHE 13 HA PHE 13 -17.259 6.652 -5.872 100 HB2 PHE 13 HB2 PHE 13 -17.292 8.074 -8.138 101 HB3 PHE 13 HB3 PHE 13 -17.733 6.527 -8.828 102 HD1 PHE 13 HD1 PHE 13 -18.387 8.692 -5.871 103 HD2 PHE 13 HD2 PHE 13 -20.128 6.097 -8.832 104 HE1 PHE 13 HE1 PHE 13 -20.695 9.239 -5.010 105 HE2 PHE 13 HE2 PHE 13 -22.408 6.609 -7.961 106 HZ PHE 13 HZ PHE 13 -22.685 8.183 -6.054 107 H THR 14 H THR 14 -16.753 4.698 -5.025 108 HA THR 14 HA THR 14 -17.079 2.573 -4.570 109 HB THR 14 HB THR 14 -19.323 2.912 -4.843 110 HG1 THR 14 HG1 THR 14 -18.927 0.788 -4.588 111 HG21 THR 14 HG21 THR 14 -19.507 3.952 -6.998 112 HG22 THR 14 HG22 THR 14 -20.583 2.549 -6.927 113 HG23 THR 14 HG23 THR 14 -19.054 2.442 -7.827 114 H GLU 15 H GLU 15 -17.181 2.202 -8.171 115 HA GLU 15 HA GLU 15 -15.193 0.050 -8.133 116 HB2 GLU 15 HB2 GLU 15 -16.441 1.807 -10.276 117 HB3 GLU 15 HB3 GLU 15 -15.010 0.848 -10.620 118 HG2 GLU 15 HG2 GLU 15 -16.853 -0.433 -11.341 119 HG3 GLU 15 HG3 GLU 15 -16.162 -1.220 -9.931 120 H GLU 16 H GLU 16 -15.119 3.566 -8.146 121 HA GLU 16 HA GLU 16 -12.164 3.642 -8.545 122 HB2 GLU 16 HB2 GLU 16 -14.407 5.623 -8.797 123 HB3 GLU 16 HB3 GLU 16 -12.767 6.201 -8.510 124 HG2 GLU 16 HG2 GLU 16 -11.978 5.053 -10.525 125 HG3 GLU 16 HG3 GLU 16 -13.592 4.372 -10.793 126 H GLU 17 H GLU 17 -14.134 3.155 -5.998 127 HA GLU 17 HA GLU 17 -13.121 4.974 -4.045 128 HB2 GLU 17 HB2 GLU 17 -15.213 3.588 -3.914 129 HB3 GLU 17 HB3 GLU 17 -14.207 2.176 -3.552 130 HG2 GLU 17 HG2 GLU 17 -13.427 3.327 -1.463 131 HG3 GLU 17 HG3 GLU 17 -14.380 4.739 -1.925 132 H GLN 18 H GLN 18 -11.461 2.372 -5.419 133 HA GLN 18 HA GLN 18 -9.960 1.141 -3.590 134 HB2 GLN 18 HB2 GLN 18 -8.142 0.756 -4.892 135 HB3 GLN 18 HB3 GLN 18 -9.544 0.759 -5.924 136 HG2 GLN 18 HG2 GLN 18 -7.459 2.969 -5.632 137 HG3 GLN 18 HG3 GLN 18 -7.612 1.757 -6.937 138 HE21 GLN 18 HE22 GLN 18 -8.478 4.931 -6.067 139 HE22 GLN 18 HE21 GLN 18 -9.964 5.060 -7.006 140 H LYS 19 H LYS 19 -9.394 4.481 -4.411 141 HA LYS 19 HA LYS 19 -7.284 5.306 -2.805 142 HB2 LYS 19 HB2 LYS 19 -8.283 6.799 -4.267 143 HB3 LYS 19 HB3 LYS 19 -9.854 6.443 -3.704 144 HG2 LYS 19 HG2 LYS 19 -8.866 8.700 -3.234 145 HG3 LYS 19 HG3 LYS 19 -9.812 7.824 -2.012 146 HD2 LYS 19 HD2 LYS 19 -8.262 7.747 -0.515 147 HD3 LYS 19 HD3 LYS 19 -6.953 7.460 -1.653 148 HE2 LYS 19 HE2 LYS 19 -7.349 10.002 -2.292 149 HE3 LYS 19 HE3 LYS 19 -8.435 10.077 -0.913 150 HZ1 LYS 19 HZ1 LYS 19 -6.503 9.577 0.538 151 HZ2 LYS 19 HZ2 LYS 19 -6.212 10.900 -0.367 152 HZ3 LYS 19 HZ3 LYS 19 -5.516 9.490 -0.785 153 H LEU 20 H LEU 20 -10.630 5.337 -1.756 154 HA LEU 20 HA LEU 20 -10.071 6.059 0.985 155 HB2 LEU 20 HB2 LEU 20 -12.644 5.121 -0.394 156 HB3 LEU 20 HB3 LEU 20 -12.585 5.902 1.135 157 HG LEU 20 HG LEU 20 -13.343 7.556 -0.107 158 HD11 LEU 20 HD11 LEU 20 -11.587 8.458 1.189 159 HD12 LEU 20 HD12 LEU 20 -11.487 9.226 -0.410 160 HD13 LEU 20 HD13 LEU 20 -10.333 7.981 0.055 161 HD21 LEU 20 HD21 LEU 20 -11.560 6.614 -2.375 162 HD22 LEU 20 HD22 LEU 20 -12.431 8.154 -2.335 163 HD23 LEU 20 HD23 LEU 20 -13.296 6.611 -2.228 164 H LEU 21 H LEU 21 -10.804 3.286 -0.812 165 HA LEU 21 HA LEU 21 -11.290 1.162 1.045 166 HB2 LEU 21 HB2 LEU 21 -11.837 0.908 -1.232 167 HB3 LEU 21 HB3 LEU 21 -10.317 1.576 -1.717 168 HG LEU 21 HG LEU 21 -10.554 -0.666 -2.456 169 HD11 LEU 21 HD11 LEU 21 -8.319 -0.815 -0.425 170 HD12 LEU 21 HD12 LEU 21 -8.213 0.035 -1.987 171 HD13 LEU 21 HD13 LEU 21 -8.536 -1.698 -1.921 172 HD21 LEU 21 HD21 LEU 21 -11.899 -1.476 -0.502 173 HD22 LEU 21 HD22 LEU 21 -10.384 -1.485 0.465 174 HD23 LEU 21 HD23 LEU 21 -10.562 -2.552 -0.957 175 H LEU 22 H LEU 22 -8.118 2.497 -0.417 176 HA LEU 22 HA LEU 22 -6.803 0.327 1.075 177 HB2 LEU 22 HB2 LEU 22 -5.681 1.173 -0.939 178 HB3 LEU 22 HB3 LEU 22 -5.608 2.801 -0.260 179 HG LEU 22 HG LEU 22 -4.101 2.001 1.561 180 HD11 LEU 22 HD11 LEU 22 -3.073 -0.252 1.415 181 HD12 LEU 22 HD12 LEU 22 -4.211 -0.672 0.118 182 HD13 LEU 22 HD13 LEU 22 -4.796 -0.353 1.757 183 HD21 LEU 22 HD21 LEU 22 -2.107 1.465 0.178 184 HD22 LEU 22 HD22 LEU 22 -3.006 2.872 -0.373 185 HD23 LEU 22 HD23 LEU 22 -3.174 1.326 -1.236 186 H ASN 23 H ASN 23 -7.381 3.726 1.397 187 HA ASN 23 HA ASN 23 -5.997 4.300 3.783 188 HB2 ASN 23 HB2 ASN 23 -8.341 5.489 2.243 189 HB3 ASN 23 HB3 ASN 23 -7.698 6.270 3.606 190 HD21 ASN 23 HD21 ASN 23 -7.651 7.369 1.128 191 HD22 ASN 23 HD22 ASN 23 -6.026 7.366 0.471 192 H ILE 24 H ILE 24 -9.245 2.840 3.512 193 HA ILE 24 HA ILE 24 -9.488 2.903 6.481 194 HB ILE 24 HB ILE 24 -11.544 1.724 6.251 195 HG12 ILE 24 HG12 ILE 24 -10.847 1.463 3.331 196 HG13 ILE 24 HG13 ILE 24 -11.162 0.204 4.485 197 HG21 ILE 24 HG21 ILE 24 -11.487 4.181 6.099 198 HG22 ILE 24 HG22 ILE 24 -11.499 4.073 4.333 199 HG23 ILE 24 HG23 ILE 24 -12.875 3.474 5.273 200 HD11 ILE 24 HD11 ILE 24 -13.558 0.951 4.622 201 HD12 ILE 24 HD12 ILE 24 -13.218 2.121 3.319 202 HD13 ILE 24 HD13 ILE 24 -13.059 0.384 3.014 203 H LEU 25 H LEU 25 -8.415 0.673 3.970 204 HA LEU 25 HA LEU 25 -8.493 -1.675 5.577 205 HB2 LEU 25 HB2 LEU 25 -8.567 -1.605 3.139 206 HB3 LEU 25 HB3 LEU 25 -6.934 -0.945 3.077 207 HG LEU 25 HG LEU 25 -6.031 -3.068 3.998 208 HD11 LEU 25 HD11 LEU 25 -7.520 -5.068 4.041 209 HD12 LEU 25 HD12 LEU 25 -8.926 -4.015 3.760 210 HD13 LEU 25 HD13 LEU 25 -7.985 -3.879 5.263 211 HD21 LEU 25 HD21 LEU 25 -7.825 -3.376 1.551 212 HD22 LEU 25 HD22 LEU 25 -6.437 -4.407 1.967 213 HD23 LEU 25 HD23 LEU 25 -6.179 -2.703 1.568 214 H ILE 26 H ILE 26 -6.021 0.831 5.184 215 HA ILE 26 HA ILE 26 -4.027 -0.629 6.778 216 HB ILE 26 HB ILE 26 -2.544 1.175 6.422 217 HG12 ILE 26 HG12 ILE 26 -4.656 2.779 4.941 218 HG13 ILE 26 HG13 ILE 26 -4.326 3.042 6.651 219 HG21 ILE 26 HG21 ILE 26 -2.313 1.088 4.018 220 HG22 ILE 26 HG22 ILE 26 -2.840 -0.480 4.640 221 HG23 ILE 26 HG23 ILE 26 -4.004 0.585 3.837 222 HD11 ILE 26 HD11 ILE 26 -2.320 3.361 4.387 223 HD12 ILE 26 HD12 ILE 26 -3.033 4.630 5.396 224 HD13 ILE 26 HD13 ILE 26 -1.917 3.448 6.120 225 H ASN 27 H ASN 27 -2.806 1.131 8.281 226 HA ASN 27 HA ASN 27 -3.913 0.851 10.776 227 HB2 ASN 27 HB2 ASN 27 -1.981 3.085 10.002 228 HB3 ASN 27 HB3 ASN 27 -2.091 2.245 11.541 229 HD21 ASN 27 HD21 ASN 27 -0.659 2.258 8.394 230 HD22 ASN 27 HD22 ASN 27 0.156 0.719 8.523 231 H HIS 28 H HIS 28 -4.130 3.821 8.767 232 HA HIS 28 HA HIS 28 -6.154 4.971 10.600 233 HB2 HIS 28 HB2 HIS 28 -3.665 6.448 9.651 234 HB3 HIS 28 HB3 HIS 28 -4.959 7.121 10.636 235 HD1 HIS 28 HD1 HIS 28 -1.609 5.790 11.089 236 HD2 HIS 28 HD2 HIS 28 -5.280 5.573 13.137 237 HE1 HIS 28 HE1 HIS 28 -1.054 5.086 13.476 238 H GLU 29 H GLU 29 -7.460 6.583 9.727 239 HA GLU 29 HA GLU 29 -8.273 6.035 7.035 240 HB2 GLU 29 HB2 GLU 29 -9.332 7.969 9.114 241 HB3 GLU 29 HB3 GLU 29 -10.125 7.599 7.573 242 HG2 GLU 29 HG2 GLU 29 -10.287 5.218 8.186 243 HG3 GLU 29 HG3 GLU 29 -9.479 5.529 9.721 244 H TYR 30 H TYR 30 -6.281 6.709 6.033 245 HA TYR 30 HA TYR 30 -5.097 9.142 6.174 246 HB2 TYR 30 HB2 TYR 30 -4.191 7.024 5.243 247 HB3 TYR 30 HB3 TYR 30 -5.178 7.286 3.800 248 HD1 TYR 30 HD1 TYR 30 -2.655 9.175 5.882 249 HD2 TYR 30 HD2 TYR 30 -4.116 8.216 1.939 250 HE1 TYR 30 HE1 TYR 30 -0.849 10.546 4.879 251 HE2 TYR 30 HE2 TYR 30 -2.283 9.537 0.932 252 HH TYR 30 HH TYR 30 0.185 11.217 2.937 253 H ALA 31 H ALA 31 -7.825 8.541 3.869 254 HA ALA 31 HA ALA 31 -7.496 10.735 2.203 255 HB1 ALA 31 HB1 ALA 31 -9.251 9.046 1.993 256 HB2 ALA 31 HB2 ALA 31 -10.062 9.704 3.452 257 HB3 ALA 31 HB3 ALA 31 -9.933 10.695 1.986 258 H ILE 32 H ILE 32 -8.840 10.769 5.533 259 HA ILE 32 HA ILE 32 -9.453 13.518 5.470 260 HB ILE 32 HB ILE 32 -9.168 11.425 7.611 261 HG12 ILE 32 HG12 ILE 32 -11.207 11.390 6.306 262 HG13 ILE 32 HG13 ILE 32 -11.559 11.882 7.953 263 HG21 ILE 32 HG21 ILE 32 -9.870 12.907 9.352 264 HG22 ILE 32 HG22 ILE 32 -8.297 13.362 8.750 265 HG23 ILE 32 HG23 ILE 32 -9.702 14.330 8.272 266 HD11 ILE 32 HD11 ILE 32 -12.891 13.256 6.489 267 HD12 ILE 32 HD12 ILE 32 -11.634 14.302 7.132 268 HD13 ILE 32 HD13 ILE 32 -11.526 13.649 5.474 269 H GLU 33 H GLU 33 -6.443 11.968 6.407 270 HA GLU 33 HA GLU 33 -5.069 14.325 7.314 271 HB2 GLU 33 HB2 GLU 33 -3.985 11.905 5.846 272 HB3 GLU 33 HB3 GLU 33 -2.999 13.283 6.332 273 HG2 GLU 33 HG2 GLU 33 -4.031 12.898 8.715 274 HG3 GLU 33 HG3 GLU 33 -4.436 11.293 8.100 275 H LEU 34 H LEU 34 -5.560 13.085 3.970 276 HA LEU 34 HA LEU 34 -4.406 15.354 2.693 277 HB2 LEU 34 HB2 LEU 34 -6.356 13.187 1.873 278 HB3 LEU 34 HB3 LEU 34 -6.145 14.574 0.845 279 HG LEU 34 HG LEU 34 -4.806 12.542 0.306 280 HD11 LEU 34 HD11 LEU 34 -4.218 14.807 -0.575 281 HD12 LEU 34 HD12 LEU 34 -2.794 13.777 -0.365 282 HD13 LEU 34 HD13 LEU 34 -3.147 15.052 0.817 283 HD21 LEU 34 HD21 LEU 34 -3.043 13.308 2.637 284 HD22 LEU 34 HD22 LEU 34 -2.715 12.101 1.389 285 HD23 LEU 34 HD23 LEU 34 -4.066 11.852 2.513 286 H LEU 35 H LEU 35 -7.862 14.794 3.738 287 HA LEU 35 HA LEU 35 -8.916 17.095 2.504 288 HB2 LEU 35 HB2 LEU 35 -10.184 15.284 3.742 289 HB3 LEU 35 HB3 LEU 35 -9.712 16.001 5.266 290 HG LEU 35 HG LEU 35 -11.372 17.435 3.137 291 HD11 LEU 35 HD11 LEU 35 -12.502 15.403 4.140 292 HD12 LEU 35 HD12 LEU 35 -13.306 16.944 4.469 293 HD13 LEU 35 HD13 LEU 35 -12.326 16.167 5.732 294 HD21 LEU 35 HD21 LEU 35 -12.101 18.812 5.162 295 HD22 LEU 35 HD22 LEU 35 -10.481 19.116 4.584 296 HD23 LEU 35 HD23 LEU 35 -10.720 18.102 6.025 297 H SER 36 H SER 36 -7.630 16.931 5.913 298 HA SER 36 HA SER 36 -7.905 19.728 6.356 299 HB2 SER 36 HB2 SER 36 -7.634 17.903 8.071 300 HB3 SER 36 HB3 SER 36 -5.905 17.903 7.679 301 HG SER 36 HG SER 36 -7.486 20.029 8.731 302 H SER 37 H SER 37 -5.130 17.834 5.118 303 HA SER 37 HA SER 37 -3.238 19.924 5.119 304 HB2 SER 37 HB2 SER 37 -2.727 17.532 4.798 305 HB3 SER 37 HB3 SER 37 -3.415 17.609 3.161 306 HG SER 37 HG SER 37 -1.121 17.917 3.194 307 H GLU 38 H GLU 38 -5.557 18.808 2.767 308 HA GLU 38 HA GLU 38 -4.956 20.490 0.485 309 HB2 GLU 38 HB2 GLU 38 -7.294 18.724 1.286 310 HB3 GLU 38 HB3 GLU 38 -7.480 19.737 -0.079 311 HG2 GLU 38 HG2 GLU 38 -5.198 17.732 0.211 312 HG3 GLU 38 HG3 GLU 38 -6.721 17.405 -0.608 313 H ILE 39 H ILE 39 -7.589 20.727 2.942 314 HA ILE 39 HA ILE 39 -8.724 23.088 1.790 315 HB ILE 39 HB ILE 39 -9.801 23.439 3.957 316 HG12 ILE 39 HG12 ILE 39 -9.589 21.088 5.382 317 HG13 ILE 39 HG13 ILE 39 -7.927 21.395 4.911 318 HG21 ILE 39 HG21 ILE 39 -11.228 21.400 3.758 319 HG22 ILE 39 HG22 ILE 39 -10.783 22.077 2.186 320 HG23 ILE 39 HG23 ILE 39 -9.954 20.635 2.776 321 HD11 ILE 39 HD11 ILE 39 -8.130 23.693 5.965 322 HD12 ILE 39 HD12 ILE 39 -9.794 23.277 6.421 323 HD13 ILE 39 HD13 ILE 39 -8.432 22.373 7.112 324 H ASN 40 H ASN 40 -6.304 22.639 4.404 325 HA ASN 40 HA ASN 40 -6.023 25.503 4.653 326 HB2 ASN 40 HB2 ASN 40 -4.491 25.237 6.231 327 HB3 ASN 40 HB3 ASN 40 -5.358 23.709 6.370 328 HD21 ASN 40 HD21 ASN 40 -4.203 21.823 5.949 329 HD22 ASN 40 HD22 ASN 40 -2.476 21.822 5.607 330 H ASP 41 H ASP 41 -4.466 23.290 2.354 331 HA ASP 41 HA ASP 41 -2.400 25.181 1.578 332 HB2 ASP 41 HB2 ASP 41 -2.520 22.646 1.149 333 HB3 ASP 41 HB3 ASP 41 -3.578 23.043 -0.206 334 H ILE 42 H ILE 42 -5.797 24.778 0.779 335 HA ILE 42 HA ILE 42 -5.678 26.864 -1.346 336 HB ILE 42 HB ILE 42 -7.861 25.093 -0.252 337 HG12 ILE 42 HG12 ILE 42 -8.068 24.496 -2.656 338 HG13 ILE 42 HG13 ILE 42 -6.807 25.650 -3.073 339 HG21 ILE 42 HG21 ILE 42 -8.269 27.485 -2.104 340 HG22 ILE 42 HG22 ILE 42 -9.455 26.193 -1.818 341 HG23 ILE 42 HG23 ILE 42 -8.988 27.253 -0.492 342 HD11 ILE 42 HD11 ILE 42 -5.162 24.254 -1.754 343 HD12 ILE 42 HD12 ILE 42 -6.485 23.142 -1.393 344 HD13 ILE 42 HD13 ILE 42 -5.912 23.368 -3.059 345 H GLU 43 H GLU 43 -6.948 26.581 1.925 346 HA GLU 43 HA GLU 43 -8.099 29.167 2.106 347 HB2 GLU 43 HB2 GLU 43 -8.413 27.130 3.619 348 HB3 GLU 43 HB3 GLU 43 -6.937 27.580 4.434 349 HG2 GLU 43 HG2 GLU 43 -8.814 28.367 5.712 350 HG3 GLU 43 HG3 GLU 43 -7.948 29.759 5.077 351 H THR 44 H THR 44 -4.937 28.092 3.307 352 HA THR 44 HA THR 44 -4.066 30.957 3.603 353 HB THR 44 HB THR 44 -4.498 30.025 5.767 354 HG1 THR 44 HG1 THR 44 -2.515 30.506 6.656 355 HG21 THR 44 HG21 THR 44 -3.039 28.255 6.730 356 HG22 THR 44 HG22 THR 44 -2.428 27.891 5.104 357 HG23 THR 44 HG23 THR 44 -4.146 27.649 5.498 358 H GLY 45 H GLY 45 -2.938 27.668 2.720 359 HA2 GLY 45 HA2 GLY 45 -0.360 28.422 1.787 360 HA3 GLY 45 HA3 GLY 45 -1.328 27.086 1.156 361 H THR 46 H THR 46 -3.486 29.094 0.379 362 HA THR 46 HA THR 46 -4.200 30.316 -1.321 363 HB THR 46 HB THR 46 -1.549 31.750 -1.543 364 HG1 THR 46 HG1 THR 46 -2.159 31.577 0.674 365 HG21 THR 46 HG21 THR 46 -3.070 33.684 -1.893 366 HG22 THR 46 HG22 THR 46 -4.478 32.612 -1.699 367 HG23 THR 46 HG23 THR 46 -3.395 32.425 -3.095 368 H LYS 47 H LYS 47 -3.563 27.882 -2.011 369 HA LYS 47 HA LYS 47 -2.175 27.577 -4.505 370 HB2 LYS 47 HB2 LYS 47 -4.493 26.110 -3.189 371 HB3 LYS 47 HB3 LYS 47 -3.962 25.664 -4.797 372 HG2 LYS 47 HG2 LYS 47 -2.276 25.562 -2.281 373 HG3 LYS 47 HG3 LYS 47 -2.953 24.210 -3.179 374 HD2 LYS 47 HD2 LYS 47 -0.966 24.109 -4.208 375 HD3 LYS 47 HD3 LYS 47 -1.528 25.437 -5.179 376 HE2 LYS 47 HE2 LYS 47 0.597 26.143 -4.466 377 HE3 LYS 47 HE3 LYS 47 -0.497 26.997 -3.369 378 HZ1 LYS 47 HZ1 LYS 47 1.336 25.967 -2.161 379 HZ2 LYS 47 HZ2 LYS 47 0.953 24.482 -2.730 380 HZ3 LYS 47 HZ3 LYS 47 -0.057 25.241 -1.703 381 H ASN 48 H ASN 48 -3.029 27.153 -6.585 382 HA ASN 48 HA ASN 48 -5.391 28.764 -7.386 383 HB2 ASN 48 HB2 ASN 48 -3.548 30.395 -7.285 384 HB3 ASN 48 HB3 ASN 48 -2.550 29.367 -8.313 385 HD21 ASN 48 HD21 ASN 48 -2.569 29.972 -10.461 386 HD22 ASN 48 HD22 ASN 48 -3.905 30.813 -11.234 387 H VAL 49 H VAL 49 -6.513 27.339 -8.504 388 HA VAL 49 HA VAL 49 -5.597 26.347 -11.047 389 HB VAL 49 HB VAL 49 -4.644 24.572 -9.696 390 HG11 VAL 49 HG11 VAL 49 -7.417 24.043 -8.605 391 HG12 VAL 49 HG12 VAL 49 -5.969 23.047 -8.331 392 HG13 VAL 49 HG13 VAL 49 -6.041 24.690 -7.682 393 HG21 VAL 49 HG21 VAL 49 -7.121 23.385 -10.996 394 HG22 VAL 49 HG22 VAL 49 -5.677 23.926 -11.886 395 HG23 VAL 49 HG23 VAL 49 -5.559 22.615 -10.698 396 H ASP 50 H ASP 50 -7.340 25.261 -12.183 397 HA ASP 50 HA ASP 50 -10.013 26.298 -12.030 398 HB2 ASP 50 HB2 ASP 50 -8.949 23.786 -13.370 399 HB3 ASP 50 HB3 ASP 50 -10.407 24.656 -13.795 400 H GLY 51 H GLY 51 -11.824 24.300 -12.228 401 HA2 GLY 51 HA2 GLY 51 -12.612 23.600 -9.759 402 HA3 GLY 51 HA3 GLY 51 -13.085 22.717 -11.197 403 H THR 52 H THR 52 -9.904 22.008 -11.091 404 HA THR 52 HA THR 52 -10.117 19.325 -10.182 405 HB THR 52 HB THR 52 -7.783 21.254 -10.393 406 HG1 THR 52 HG1 THR 52 -8.710 20.435 -12.311 407 HG21 THR 52 HG21 THR 52 -6.321 19.219 -10.201 408 HG22 THR 52 HG22 THR 52 -7.742 18.339 -9.571 409 HG23 THR 52 HG23 THR 52 -7.067 19.716 -8.677 410 H THR 53 H THR 53 -8.612 22.055 -8.232 411 HA THR 53 HA THR 53 -8.593 20.432 -5.917 412 HB THR 53 HB THR 53 -7.114 22.383 -6.356 413 HG1 THR 53 HG1 THR 53 -7.214 21.457 -4.344 414 HG21 THR 53 HG21 THR 53 -8.930 24.090 -6.929 415 HG22 THR 53 HG22 THR 53 -7.730 24.611 -5.735 416 HG23 THR 53 HG23 THR 53 -9.341 24.112 -5.200 417 H TYR 54 H TYR 54 -10.980 22.804 -6.991 418 HA TYR 54 HA TYR 54 -12.753 22.908 -4.785 419 HB2 TYR 54 HB2 TYR 54 -13.261 22.769 -7.789 420 HB3 TYR 54 HB3 TYR 54 -14.538 23.000 -6.627 421 HD1 TYR 54 HD1 TYR 54 -11.472 24.607 -8.034 422 HD2 TYR 54 HD2 TYR 54 -14.920 25.043 -5.475 423 HE1 TYR 54 HE1 TYR 54 -11.087 27.062 -7.951 424 HE2 TYR 54 HE2 TYR 54 -14.531 27.515 -5.388 425 HH TYR 54 HH TYR 54 -11.811 29.077 -7.131 426 H LYS 55 H LYS 55 -12.865 20.636 -7.585 427 HA LYS 55 HA LYS 55 -14.753 18.955 -6.549 428 HB2 LYS 55 HB2 LYS 55 -14.131 19.312 -8.905 429 HB3 LYS 55 HB3 LYS 55 -12.636 18.477 -8.659 430 HG2 LYS 55 HG2 LYS 55 -14.153 16.659 -9.324 431 HG3 LYS 55 HG3 LYS 55 -14.366 16.611 -7.599 432 HD2 LYS 55 HD2 LYS 55 -16.140 18.539 -8.025 433 HD3 LYS 55 HD3 LYS 55 -16.152 17.899 -9.667 434 HE2 LYS 55 HE2 LYS 55 -16.613 15.598 -8.776 435 HE3 LYS 55 HE3 LYS 55 -16.673 16.261 -7.141 436 HZ1 LYS 55 HZ1 LYS 55 -18.903 16.058 -8.097 437 HZ2 LYS 55 HZ2 LYS 55 -18.512 17.014 -9.358 438 HZ3 LYS 55 HZ3 LYS 55 -18.574 17.638 -7.849 439 H LYS 56 H LYS 56 -11.175 18.529 -6.337 440 HA LYS 56 HA LYS 56 -11.168 16.138 -4.749 441 HB2 LYS 56 HB2 LYS 56 -9.254 18.431 -4.948 442 HB3 LYS 56 HB3 LYS 56 -9.116 17.260 -3.637 443 HG2 LYS 56 HG2 LYS 56 -7.796 16.261 -5.219 444 HG3 LYS 56 HG3 LYS 56 -9.320 15.416 -5.449 445 HD2 LYS 56 HD2 LYS 56 -9.864 16.792 -7.405 446 HD3 LYS 56 HD3 LYS 56 -8.332 17.689 -7.224 447 HE2 LYS 56 HE2 LYS 56 -7.032 15.676 -7.577 448 HE3 LYS 56 HE3 LYS 56 -8.458 14.656 -7.417 449 HZ1 LYS 56 HZ1 LYS 56 -7.991 16.501 -9.693 450 HZ2 LYS 56 HZ2 LYS 56 -9.288 15.505 -9.519 451 HZ3 LYS 56 HZ3 LYS 56 -7.801 14.884 -9.721 452 H LEU 57 H LEU 57 -11.593 19.518 -3.567 453 HA LEU 57 HA LEU 57 -11.707 18.741 -0.795 454 HB2 LEU 57 HB2 LEU 57 -10.833 20.741 -1.585 455 HB3 LEU 57 HB3 LEU 57 -12.324 21.262 -2.372 456 HG LEU 57 HG LEU 57 -12.024 20.989 0.645 457 HD11 LEU 57 HD11 LEU 57 -10.425 22.651 -0.267 458 HD12 LEU 57 HD12 LEU 57 -11.739 23.481 0.584 459 HD13 LEU 57 HD13 LEU 57 -11.733 23.424 -1.187 460 HD21 LEU 57 HD21 LEU 57 -14.069 22.400 -1.119 461 HD22 LEU 57 HD22 LEU 57 -13.927 22.666 0.630 462 HD23 LEU 57 HD23 LEU 57 -14.394 21.085 0.032 463 H VAL 58 H VAL 58 -14.254 19.457 -3.200 464 HA VAL 58 HA VAL 58 -16.340 19.044 -1.231 465 HB VAL 58 HB VAL 58 -16.399 20.648 -3.136 466 HG11 VAL 58 HG11 VAL 58 -16.917 20.057 -5.327 467 HG12 VAL 58 HG12 VAL 58 -15.692 18.891 -4.832 468 HG13 VAL 58 HG13 VAL 58 -17.381 18.382 -4.888 469 HG21 VAL 58 HG21 VAL 58 -18.786 18.802 -2.887 470 HG22 VAL 58 HG22 VAL 58 -18.388 20.199 -1.843 471 HG23 VAL 58 HG23 VAL 58 -18.795 20.452 -3.546 472 H THR 59 H THR 59 -14.642 16.930 -3.419 473 HA THR 59 HA THR 59 -16.633 14.779 -3.284 474 HB THR 59 HB THR 59 -14.921 15.103 -5.149 475 HG1 THR 59 HG1 THR 59 -16.121 13.384 -5.282 476 HG21 THR 59 HG21 THR 59 -13.123 13.767 -3.088 477 HG22 THR 59 HG22 THR 59 -12.868 15.184 -4.078 478 HG23 THR 59 HG23 THR 59 -12.902 13.598 -4.838 479 H LEU 60 H LEU 60 -13.731 15.700 -1.518 480 HA LEU 60 HA LEU 60 -13.250 13.563 0.199 481 HB2 LEU 60 HB2 LEU 60 -12.893 16.480 0.415 482 HB3 LEU 60 HB3 LEU 60 -13.112 15.689 1.956 483 HG LEU 60 HG LEU 60 -10.837 15.898 1.549 484 HD11 LEU 60 HD11 LEU 60 -11.276 12.963 1.011 485 HD12 LEU 60 HD12 LEU 60 -11.540 13.730 2.599 486 HD13 LEU 60 HD13 LEU 60 -9.937 13.793 1.840 487 HD21 LEU 60 HD21 LEU 60 -9.670 14.698 -0.325 488 HD22 LEU 60 HD22 LEU 60 -10.565 16.167 -0.693 489 HD23 LEU 60 HD23 LEU 60 -11.290 14.582 -1.092 490 H TYR 61 H TYR 61 -15.580 16.169 0.861 491 HA TYR 61 HA TYR 61 -16.842 14.681 3.037 492 HB2 TYR 61 HB2 TYR 61 -18.003 16.444 3.580 493 HB3 TYR 61 HB3 TYR 61 -16.939 17.329 2.490 494 HD1 TYR 61 HD2 TYR 61 -20.326 16.017 3.121 495 HD2 TYR 61 HD1 TYR 61 -17.873 18.118 0.280 496 HE1 TYR 61 HE2 TYR 61 -22.365 16.815 1.984 497 HE2 TYR 61 HE1 TYR 61 -19.945 18.872 -0.902 498 HH TYR 61 HH TYR 61 -23.219 18.015 0.223 499 H ASP 62 H ASP 62 -17.617 15.095 -0.322 500 HA ASP 62 HA ASP 62 -20.167 13.870 -0.403 501 HB2 ASP 62 HB2 ASP 62 -19.052 14.989 -2.364 502 HB3 ASP 62 HB3 ASP 62 -18.126 13.492 -2.593 503 H ARG 63 H ARG 63 -17.052 12.274 0.131 504 HA ARG 63 HA ARG 63 -18.660 9.734 0.443 505 HB2 ARG 63 HB2 ARG 63 -16.208 10.154 -0.957 506 HB3 ARG 63 HB3 ARG 63 -15.831 9.092 0.360 507 HG2 ARG 63 HG2 ARG 63 -17.107 7.354 -0.335 508 HG3 ARG 63 HG3 ARG 63 -18.361 8.327 -1.045 509 HD2 ARG 63 HD2 ARG 63 -15.631 7.766 -2.152 510 HD3 ARG 63 HD3 ARG 63 -17.139 7.065 -2.759 511 HE ARG 63 HE ARG 63 -16.008 9.264 -3.885 512 HH11 ARG 63 HH11 ARG 63 -19.224 9.075 -2.358 513 HH12 ARG 63 HH12 ARG 63 -19.641 10.601 -3.124 514 HH21 ARG 63 HH22 ARG 63 -16.831 11.041 -4.835 515 HH22 ARG 63 HH21 ARG 63 -18.471 11.574 -4.388 516 H PHE 64 H PHE 64 -16.249 11.676 2.116 517 HA PHE 64 HA PHE 64 -16.052 9.984 4.411 518 HB2 PHE 64 HB2 PHE 64 -14.491 11.739 4.112 519 HB3 PHE 64 HB3 PHE 64 -15.775 12.947 4.056 520 HD1 PHE 64 HD2 PHE 64 -13.986 10.501 6.295 521 HD2 PHE 64 HD1 PHE 64 -16.645 13.871 6.116 522 HE1 PHE 64 HE2 PHE 64 -13.728 10.844 8.748 523 HE2 PHE 64 HE1 PHE 64 -16.463 14.173 8.568 524 HZ PHE 64 HZ PHE 64 -15.017 12.631 9.898 525 H ARG 65 H ARG 65 -18.376 12.772 3.941 526 HA ARG 65 HA ARG 65 -19.587 12.433 6.544 527 HB2 ARG 65 HB2 ARG 65 -20.229 13.964 3.973 528 HB3 ARG 65 HB3 ARG 65 -21.212 14.103 5.344 529 HG2 ARG 65 HG2 ARG 65 -18.330 14.901 5.207 530 HG3 ARG 65 HG3 ARG 65 -19.702 16.004 5.232 531 HD2 ARG 65 HD2 ARG 65 -19.017 14.136 7.496 532 HD3 ARG 65 HD3 ARG 65 -18.446 15.788 7.400 533 HE ARG 65 HE ARG 65 -20.747 16.598 7.534 534 HH11 ARG 65 HH11 ARG 65 -20.430 13.261 8.623 535 HH12 ARG 65 HH12 ARG 65 -21.706 13.476 9.786 536 HH21 ARG 65 HH21 ARG 65 -22.204 16.793 9.049 537 HH22 ARG 65 HH22 ARG 65 -22.739 15.412 9.983 538 H PHE 66 H PHE 66 -20.316 11.467 3.421 539 HA PHE 66 HA PHE 66 -22.919 10.211 3.997 540 HB2 PHE 66 HB2 PHE 66 -21.247 10.365 1.482 541 HB3 PHE 66 HB3 PHE 66 -22.753 9.479 1.568 542 HD1 PHE 66 HD1 PHE 66 -24.918 10.668 2.098 543 HD2 PHE 66 HD2 PHE 66 -21.255 12.781 1.275 544 HE1 PHE 66 HE1 PHE 66 -26.218 12.725 1.588 545 HE2 PHE 66 HE2 PHE 66 -22.556 14.814 0.704 546 HZ PHE 66 HZ PHE 66 -25.039 14.801 0.883 547 H GLU 67 H GLU 67 -19.849 8.734 2.783 548 HA GLU 67 HA GLU 67 -21.148 6.074 3.035 549 HB2 GLU 67 HB2 GLU 67 -18.831 7.045 1.304 550 HB3 GLU 67 HB3 GLU 67 -19.441 5.406 1.349 551 HG2 GLU 67 HG2 GLU 67 -20.996 7.875 0.465 552 HG3 GLU 67 HG3 GLU 67 -20.292 6.657 -0.587 553 H ASN 68 H ASN 68 -18.018 7.527 3.627 554 HA ASN 68 HA ASN 68 -17.151 5.153 5.206 555 HB2 ASN 68 HB2 ASN 68 -15.443 6.980 3.484 556 HB3 ASN 68 HB3 ASN 68 -14.849 5.634 4.442 557 HD21 ASN 68 HD21 ASN 68 -15.842 6.506 1.357 558 HD22 ASN 68 HD22 ASN 68 -16.130 4.880 0.730 559 H1 GLY 1 H1 GLY 1 -17.549 9.722 32.266 560 H2 GLY 1 H2 GLY 1 -16.793 9.722 30.811 561 H3 GLY 1 H3 GLY 1 -18.397 9.400 30.902 562 HA2 GLY 1 HA2 GLY 1 -18.073 11.626 30.071 563 HA3 GLY 1 HA3 GLY 1 -18.872 11.641 31.653 564 H SER 2 H SER 2 -18.053 13.102 33.017 565 HA SER 2 HA SER 2 -16.721 14.533 34.107 566 HB2 SER 2 HB2 SER 2 -14.561 12.454 33.696 567 HB3 SER 2 HB3 SER 2 -14.638 13.681 34.974 568 HG SER 2 HG SER 2 -15.420 11.649 35.693 569 H HIS 3 H HIS 3 -16.643 14.876 31.099 570 HA HIS 3 HA HIS 3 -14.387 16.811 30.993 571 HB2 HIS 3 HB2 HIS 3 -15.047 14.687 28.915 572 HB3 HIS 3 HB3 HIS 3 -13.987 16.054 28.576 573 HD1 HIS 3 HD1 HIS 3 -14.029 12.755 30.515 574 HD2 HIS 3 HD2 HIS 3 -11.618 16.156 29.994 575 HE1 HIS 3 HE1 HIS 3 -11.750 12.174 31.504 576 H MET 4 H MET 4 -14.694 18.542 29.534 577 HA MET 4 HA MET 4 -17.490 19.029 28.605 578 HB2 MET 4 HB2 MET 4 -17.341 21.336 29.284 579 HB3 MET 4 HB3 MET 4 -17.078 20.289 30.679 580 HG2 MET 4 HG2 MET 4 -14.627 20.660 30.492 581 HG3 MET 4 HG3 MET 4 -14.896 21.702 29.089 582 HE1 MET 4 HE1 MET 4 -13.704 24.246 31.786 583 HE2 MET 4 HE2 MET 4 -13.139 22.580 31.531 584 HE3 MET 4 HE3 MET 4 -13.471 23.633 30.135 585 H ARG 5 H ARG 5 -17.694 20.493 26.801 586 HA ARG 5 HA ARG 5 -15.256 20.601 25.071 587 HB2 ARG 5 HB2 ARG 5 -17.328 18.869 24.680 588 HB3 ARG 5 HB3 ARG 5 -17.915 20.209 23.737 589 HG2 ARG 5 HG2 ARG 5 -15.747 20.242 22.464 590 HG3 ARG 5 HG3 ARG 5 -15.140 19.006 23.434 591 HD2 ARG 5 HD2 ARG 5 -15.783 18.111 21.337 592 HD3 ARG 5 HD3 ARG 5 -16.505 17.313 22.720 593 HE ARG 5 HE ARG 5 -18.242 19.349 21.524 594 HH11 ARG 5 HH21 ARG 5 -17.206 16.018 21.127 595 HH12 ARG 5 HH22 ARG 5 -18.782 15.497 20.593 596 HH21 ARG 5 HH11 ARG 5 -20.249 18.593 20.836 597 HH22 ARG 5 HH12 ARG 5 -20.433 16.925 20.387 598 H MET 6 H MET 6 -14.906 22.366 23.884 599 HA MET 6 HA MET 6 -17.050 24.411 23.744 600 HB2 MET 6 HB2 MET 6 -14.071 24.991 23.825 601 HB3 MET 6 HB3 MET 6 -15.384 26.149 23.975 602 HG2 MET 6 HG2 MET 6 -14.645 23.956 25.945 603 HG3 MET 6 HG3 MET 6 -14.211 25.654 26.110 604 HE1 MET 6 HE1 MET 6 -16.893 27.265 25.370 605 HE2 MET 6 HE2 MET 6 -17.572 27.416 27.002 606 HE3 MET 6 HE3 MET 6 -15.822 27.597 26.753 607 H SER 7 H SER 7 -17.466 22.942 21.905 608 HA SER 7 HA SER 7 -15.885 22.482 19.791 609 HB2 SER 7 HB2 SER 7 -18.863 22.957 19.749 610 HB3 SER 7 HB3 SER 7 -17.957 22.493 18.289 611 HG SER 7 HG SER 7 -18.806 20.711 19.578 612 H LEU 8 H LEU 8 -14.709 23.705 18.582 613 HA LEU 8 HA LEU 8 -13.733 25.284 17.446 614 HB2 LEU 8 HB2 LEU 8 -16.209 25.970 15.973 615 HB3 LEU 8 HB3 LEU 8 -14.582 25.737 15.438 616 HG LEU 8 HG LEU 8 -16.280 23.405 16.451 617 HD11 LEU 8 HD11 LEU 8 -17.263 24.290 14.447 618 HD12 LEU 8 HD12 LEU 8 -16.497 22.712 14.215 619 HD13 LEU 8 HD13 LEU 8 -15.683 24.188 13.611 620 HD21 LEU 8 HD21 LEU 8 -13.622 23.751 15.044 621 HD22 LEU 8 HD22 LEU 8 -14.431 22.162 15.257 622 HD23 LEU 8 HD23 LEU 8 -13.877 23.072 16.675 623 H ILE 9 H ILE 9 -13.449 26.385 19.547 624 HA ILE 9 HA ILE 9 -14.508 29.041 19.841 625 HB ILE 9 HB ILE 9 -11.680 28.420 20.644 626 HG12 ILE 9 HG12 ILE 9 -13.995 27.062 22.056 627 HG13 ILE 9 HG13 ILE 9 -12.771 26.270 21.149 628 HG21 ILE 9 HG21 ILE 9 -12.284 29.731 22.608 629 HG22 ILE 9 HG22 ILE 9 -12.834 30.584 21.170 630 HG23 ILE 9 HG23 ILE 9 -14.002 29.684 22.159 631 HD11 ILE 9 HD11 ILE 9 -12.084 26.003 23.355 632 HD12 ILE 9 HD12 ILE 9 -11.031 27.254 22.678 633 HD13 ILE 9 HD13 ILE 9 -12.372 27.707 23.765 634 H GLY 10 H GLY 10 -11.868 27.624 17.966 635 HA2 GLY 10 HA2 GLY 10 -11.160 28.609 15.880 636 HA3 GLY 10 HA3 GLY 10 -11.403 30.198 16.522 637 H GLU 11 H GLU 11 -9.817 28.373 18.931 638 HA GLU 11 HA GLU 11 -7.143 28.351 17.663 639 HB2 GLU 11 HB2 GLU 11 -7.324 29.485 20.467 640 HB3 GLU 11 HB3 GLU 11 -5.941 29.379 19.406 641 HG2 GLU 11 HG2 GLU 11 -6.945 31.049 17.859 642 HG3 GLU 11 HG3 GLU 11 -8.317 31.230 18.961 643 H ARG 12 H ARG 12 -8.959 27.682 20.650 644 HA ARG 12 HA ARG 12 -8.998 25.944 22.126 645 HB2 ARG 12 HB2 ARG 12 -8.653 24.242 19.668 646 HB3 ARG 12 HB3 ARG 12 -9.270 23.801 21.209 647 HG2 ARG 12 HG2 ARG 12 -11.339 24.546 20.900 648 HG3 ARG 12 HG3 ARG 12 -10.852 26.045 20.142 649 HD2 ARG 12 HD2 ARG 12 -11.150 23.279 18.904 650 HD3 ARG 12 HD3 ARG 12 -12.072 24.728 18.506 651 HE ARG 12 HE ARG 12 -9.576 25.531 17.830 652 HH11 ARG 12 HH11 ARG 12 -11.188 22.606 16.775 653 HH12 ARG 12 HH12 ARG 12 -9.811 22.116 15.828 654 HH21 ARG 12 HH21 ARG 12 -8.066 25.003 16.393 655 HH22 ARG 12 HH22 ARG 12 -8.090 23.492 15.572 656 H PHE 13 H PHE 13 -6.592 26.925 22.425 657 HA PHE 13 HA PHE 13 -4.637 24.818 21.833 658 HB2 PHE 13 HB2 PHE 13 -4.651 27.175 20.876 659 HB3 PHE 13 HB3 PHE 13 -4.254 27.716 22.511 660 HD1 PHE 13 HD2 PHE 13 -3.141 24.769 20.442 661 HD2 PHE 13 HD1 PHE 13 -2.036 28.428 22.425 662 HE1 PHE 13 HE2 PHE 13 -0.723 24.328 19.928 663 HE2 PHE 13 HE1 PHE 13 0.381 27.988 21.915 664 HZ PHE 13 HZ PHE 13 1.022 25.932 20.666 665 H THR 14 H THR 14 -4.277 23.515 23.377 666 HA THR 14 HA THR 14 -3.517 22.503 25.151 667 HB THR 14 HB THR 14 -1.416 23.304 24.796 668 HG1 THR 14 HG1 THR 14 -1.477 22.434 26.790 669 HG21 THR 14 HG21 THR 14 -2.105 25.942 26.131 670 HG22 THR 14 HG22 THR 14 -1.764 25.660 24.405 671 HG23 THR 14 HG23 THR 14 -0.490 25.419 25.607 672 H GLU 15 H GLU 15 -3.904 25.715 26.707 673 HA GLU 15 HA GLU 15 -5.447 24.673 28.939 674 HB2 GLU 15 HB2 GLU 15 -5.064 27.459 27.757 675 HB3 GLU 15 HB3 GLU 15 -5.953 27.143 29.248 676 HG2 GLU 15 HG2 GLU 15 -3.002 26.493 28.810 677 HG3 GLU 15 HG3 GLU 15 -3.619 27.927 29.614 678 H GLU 16 H GLU 16 -6.257 25.870 25.715 679 HA GLU 16 HA GLU 16 -9.181 25.626 26.288 680 HB2 GLU 16 HB2 GLU 16 -7.632 27.073 24.139 681 HB3 GLU 16 HB3 GLU 16 -9.375 26.844 24.076 682 HG2 GLU 16 HG2 GLU 16 -9.669 27.997 26.195 683 HG3 GLU 16 HG3 GLU 16 -7.920 28.237 26.348 684 H GLU 17 H GLU 17 -6.909 23.561 25.340 685 HA GLU 17 HA GLU 17 -8.019 22.402 22.980 686 HB2 GLU 17 HB2 GLU 17 -5.668 22.199 23.912 687 HB3 GLU 17 HB3 GLU 17 -6.290 20.998 25.046 688 HG2 GLU 17 HG2 GLU 17 -6.960 19.573 23.088 689 HG3 GLU 17 HG3 GLU 17 -6.396 20.843 22.004 690 H GLN 18 H GLN 18 -9.178 22.062 26.147 691 HA GLN 18 HA GLN 18 -10.139 19.626 26.531 692 HB2 GLN 18 HB2 GLN 18 -11.973 20.330 27.802 693 HB3 GLN 18 HB3 GLN 18 -10.750 21.567 28.013 694 HG2 GLN 18 HG2 GLN 18 -13.231 21.777 26.274 695 HG3 GLN 18 HG3 GLN 18 -12.939 22.489 27.876 696 HE21 GLN 18 HE22 GLN 18 -12.712 23.118 24.541 697 HE22 GLN 18 HE21 GLN 18 -11.420 24.320 24.596 698 H LYS 19 H LYS 19 -11.543 21.666 24.094 699 HA LYS 19 HA LYS 19 -13.599 20.076 23.063 700 HB2 LYS 19 HB2 LYS 19 -13.287 22.247 22.217 701 HB3 LYS 19 HB3 LYS 19 -11.617 21.993 21.983 702 HG2 LYS 19 HG2 LYS 19 -13.046 22.293 19.971 703 HG3 LYS 19 HG3 LYS 19 -11.778 21.070 20.009 704 HD2 LYS 19 HD2 LYS 19 -13.061 19.377 19.624 705 HD3 LYS 19 HD3 LYS 19 -14.330 19.907 20.699 706 HE2 LYS 19 HE2 LYS 19 -14.566 21.743 18.625 707 HE3 LYS 19 HE3 LYS 19 -13.727 20.500 17.732 708 HZ1 LYS 19 HZ1 LYS 19 -16.175 20.421 17.509 709 HZ2 LYS 19 HZ2 LYS 19 -16.383 20.118 19.081 710 HZ3 LYS 19 HZ3 LYS 19 -15.627 19.020 18.077 711 H LEU 20 H LEU 20 -10.258 19.995 22.025 712 HA LEU 20 HA LEU 20 -10.609 17.775 20.198 713 HB2 LEU 20 HB2 LEU 20 -8.093 19.207 21.230 714 HB3 LEU 20 HB3 LEU 20 -8.131 18.161 19.867 715 HG LEU 20 HG LEU 20 -8.002 20.105 18.848 716 HD11 LEU 20 HD11 LEU 20 -10.994 19.483 18.900 717 HD12 LEU 20 HD12 LEU 20 -9.765 18.832 17.831 718 HD13 LEU 20 HD13 LEU 20 -10.180 20.551 17.759 719 HD21 LEU 20 HD21 LEU 20 -9.201 22.119 19.472 720 HD22 LEU 20 HD22 LEU 20 -8.142 21.509 20.753 721 HD23 LEU 20 HD23 LEU 20 -9.867 21.335 20.921 722 H LEU 21 H LEU 21 -9.341 18.350 23.363 723 HA LEU 21 HA LEU 21 -8.244 15.764 24.008 724 HB2 LEU 21 HB2 LEU 21 -7.671 16.928 25.827 725 HB3 LEU 21 HB3 LEU 21 -8.815 18.200 25.477 726 HG LEU 21 HG LEU 21 -10.601 16.992 26.648 727 HD11 LEU 21 HD11 LEU 21 -9.652 15.097 28.330 728 HD12 LEU 21 HD12 LEU 21 -8.431 14.873 27.071 729 HD13 LEU 21 HD13 LEU 21 -10.159 14.607 26.755 730 HD21 LEU 21 HD21 LEU 21 -8.339 17.082 28.570 731 HD22 LEU 21 HD22 LEU 21 -10.115 17.288 28.753 732 HD23 LEU 21 HD23 LEU 21 -9.146 18.527 27.927 733 H LEU 22 H LEU 22 -11.693 17.136 24.237 734 HA LEU 22 HA LEU 22 -12.296 14.882 25.878 735 HB2 LEU 22 HB2 LEU 22 -13.615 16.844 26.054 736 HB3 LEU 22 HB3 LEU 22 -14.137 16.807 24.371 737 HG LEU 22 HG LEU 22 -14.864 14.642 26.402 738 HD11 LEU 22 HD11 LEU 22 -16.526 17.052 25.587 739 HD12 LEU 22 HD12 LEU 22 -15.633 16.925 27.106 740 HD13 LEU 22 HD13 LEU 22 -16.960 15.803 26.775 741 HD21 LEU 22 HD21 LEU 22 -16.114 15.438 23.727 742 HD22 LEU 22 HD22 LEU 22 -16.891 14.365 24.906 743 HD23 LEU 22 HD23 LEU 22 -15.401 13.875 24.136 744 H ASN 23 H ASN 23 -12.829 15.876 22.594 745 HA ASN 23 HA ASN 23 -14.057 13.759 21.252 746 HB2 ASN 23 HB2 ASN 23 -12.157 16.045 20.557 747 HB3 ASN 23 HB3 ASN 23 -12.643 14.982 19.351 748 HD21 ASN 23 HD21 ASN 23 -13.279 17.598 19.264 749 HD22 ASN 23 HD22 ASN 23 -14.992 17.806 19.558 750 H ILE 24 H ILE 24 -10.444 14.103 21.750 751 HA ILE 24 HA ILE 24 -10.084 11.588 20.242 752 HB ILE 24 HB ILE 24 -7.788 11.626 20.811 753 HG12 ILE 24 HG12 ILE 24 -8.433 13.890 22.692 754 HG13 ILE 24 HG13 ILE 24 -7.798 12.324 23.092 755 HG21 ILE 24 HG21 ILE 24 -7.108 13.577 19.576 756 HG22 ILE 24 HG22 ILE 24 -8.607 12.942 18.904 757 HG23 ILE 24 HG23 ILE 24 -8.643 14.392 19.911 758 HD11 ILE 24 HD11 ILE 24 -6.327 14.529 21.598 759 HD12 ILE 24 HD12 ILE 24 -6.013 13.933 23.235 760 HD13 ILE 24 HD13 ILE 24 -5.690 12.881 21.841 761 H LEU 25 H LEU 25 -10.592 12.435 23.596 762 HA LEU 25 HA LEU 25 -9.626 9.956 24.630 763 HB2 LEU 25 HB2 LEU 25 -9.603 12.138 25.804 764 HB3 LEU 25 HB3 LEU 25 -11.364 12.093 25.913 765 HG LEU 25 HG LEU 25 -11.229 10.072 27.352 766 HD11 LEU 25 HD11 LEU 25 -8.994 9.433 28.299 767 HD12 LEU 25 HD12 LEU 25 -8.214 10.483 27.091 768 HD13 LEU 25 HD13 LEU 25 -9.138 9.050 26.582 769 HD21 LEU 25 HD21 LEU 25 -9.446 12.352 28.297 770 HD22 LEU 25 HD22 LEU 25 -10.311 11.187 29.323 771 HD23 LEU 25 HD23 LEU 25 -11.221 12.341 28.333 772 H ILE 26 H ILE 26 -12.835 11.066 23.630 773 HA ILE 26 HA ILE 26 -14.247 8.730 24.675 774 HB ILE 26 HB ILE 26 -16.215 9.612 23.637 775 HG12 ILE 26 HG12 ILE 26 -14.682 11.957 22.480 776 HG13 ILE 26 HG13 ILE 26 -14.980 10.503 21.529 777 HG21 ILE 26 HG21 ILE 26 -16.435 11.676 24.895 778 HG22 ILE 26 HG22 ILE 26 -15.568 10.443 25.814 779 HG23 ILE 26 HG23 ILE 26 -14.678 11.785 25.089 780 HD11 ILE 26 HD11 ILE 26 -16.705 12.125 21.051 781 HD12 ILE 26 HD12 ILE 26 -17.431 10.755 21.923 782 HD13 ILE 26 HD13 ILE 26 -17.113 12.290 22.768 783 H ASN 27 H ASN 27 -15.979 8.020 22.763 784 HA ASN 27 HA ASN 27 -14.903 5.745 21.698 785 HB2 ASN 27 HB2 ASN 27 -17.284 7.267 20.536 786 HB3 ASN 27 HB3 ASN 27 -17.018 5.528 20.503 787 HD21 ASN 27 HD21 ASN 27 -18.408 8.134 22.266 788 HD22 ASN 27 HD22 ASN 27 -18.799 7.229 23.711 789 H HIS 28 H HIS 28 -15.153 8.859 19.936 790 HA HIS 28 HA HIS 28 -13.292 7.902 17.905 791 HB2 HIS 28 HB2 HIS 28 -14.828 8.549 16.016 792 HB3 HIS 28 HB3 HIS 28 -15.308 7.105 16.891 793 HD1 HIS 28 HD1 HIS 28 -17.785 7.074 17.690 794 HD2 HIS 28 HD2 HIS 28 -16.290 10.908 16.817 795 HE1 HIS 28 HE1 HIS 28 -19.751 8.681 17.933 796 H GLU 29 H GLU 29 -12.354 9.487 16.633 797 HA GLU 29 HA GLU 29 -11.796 11.913 18.054 798 HB2 GLU 29 HB2 GLU 29 -10.884 10.914 15.331 799 HB3 GLU 29 HB3 GLU 29 -10.208 12.309 16.187 800 HG2 GLU 29 HG2 GLU 29 -9.495 10.869 18.048 801 HG3 GLU 29 HG3 GLU 29 -10.213 9.458 17.277 802 H TYR 30 H TYR 30 -13.874 12.864 18.101 803 HA TYR 30 HA TYR 30 -15.475 13.267 15.901 804 HB2 TYR 30 HB2 TYR 30 -16.126 13.137 18.294 805 HB3 TYR 30 HB3 TYR 30 -15.460 14.760 18.512 806 HD1 TYR 30 HD1 TYR 30 -17.930 12.966 16.290 807 HD2 TYR 30 HD2 TYR 30 -16.924 16.558 18.448 808 HE1 TYR 30 HE1 TYR 30 -20.086 13.985 15.598 809 HE2 TYR 30 HE2 TYR 30 -19.110 17.549 17.830 810 HH TYR 30 HH TYR 30 -21.489 15.791 15.790 811 H ALA 31 H ALA 31 -13.089 15.735 17.059 812 HA ALA 31 HA ALA 31 -14.106 18.000 15.963 813 HB1 ALA 31 HB1 ALA 31 -11.777 18.740 15.725 814 HB2 ALA 31 HB2 ALA 31 -12.057 17.872 17.254 815 HB3 ALA 31 HB3 ALA 31 -11.222 17.066 15.885 816 H ILE 32 H ILE 32 -12.345 15.459 14.177 817 HA ILE 32 HA ILE 32 -12.151 16.667 11.687 818 HB ILE 32 HB ILE 32 -12.424 13.780 12.543 819 HG12 ILE 32 HG12 ILE 32 -10.014 13.610 11.912 820 HG13 ILE 32 HG13 ILE 32 -9.985 15.341 11.585 821 HG21 ILE 32 HG21 ILE 32 -13.104 13.962 10.121 822 HG22 ILE 32 HG22 ILE 32 -11.532 14.719 9.807 823 HG23 ILE 32 HG23 ILE 32 -11.663 13.027 10.407 824 HD11 ILE 32 HD11 ILE 32 -10.205 15.844 13.923 825 HD12 ILE 32 HD12 ILE 32 -10.712 14.170 14.298 826 HD13 ILE 32 HD13 ILE 32 -9.047 14.504 13.824 827 H GLU 33 H GLU 33 -14.875 14.785 12.992 828 HA GLU 33 HA GLU 33 -16.461 14.645 10.619 829 HB2 GLU 33 HB2 GLU 33 -16.913 13.434 12.769 830 HB3 GLU 33 HB3 GLU 33 -17.605 14.946 13.401 831 HG2 GLU 33 HG2 GLU 33 -19.219 14.987 11.511 832 HG3 GLU 33 HG3 GLU 33 -18.513 13.509 10.861 833 H LEU 34 H LEU 34 -16.282 17.181 13.154 834 HA LEU 34 HA LEU 34 -18.032 19.024 11.895 835 HB2 LEU 34 HB2 LEU 34 -15.747 19.232 13.887 836 HB3 LEU 34 HB3 LEU 34 -16.373 20.683 13.157 837 HG LEU 34 HG LEU 34 -17.265 20.069 15.390 838 HD11 LEU 34 HD11 LEU 34 -19.417 20.237 13.227 839 HD12 LEU 34 HD12 LEU 34 -18.503 21.624 13.847 840 HD13 LEU 34 HD13 LEU 34 -19.583 20.726 14.924 841 HD21 LEU 34 HD21 LEU 34 -19.030 18.477 15.640 842 HD22 LEU 34 HD22 LEU 34 -17.514 17.678 15.157 843 HD23 LEU 34 HD23 LEU 34 -18.833 17.916 13.977 844 H LEU 35 H LEU 35 -14.422 18.594 11.528 845 HA LEU 35 HA LEU 35 -13.992 20.829 9.910 846 HB2 LEU 35 HB2 LEU 35 -12.189 19.304 10.705 847 HB3 LEU 35 HB3 LEU 35 -12.782 18.018 9.717 848 HG LEU 35 HG LEU 35 -12.172 18.979 7.680 849 HD11 LEU 35 HD11 LEU 35 -12.518 21.438 8.246 850 HD12 LEU 35 HD12 LEU 35 -11.099 21.032 7.281 851 HD13 LEU 35 HD13 LEU 35 -10.919 21.399 8.993 852 HD21 LEU 35 HD21 LEU 35 -10.453 17.743 8.885 853 HD22 LEU 35 HD22 LEU 35 -9.918 19.224 9.707 854 HD23 LEU 35 HD23 LEU 35 -9.721 19.059 7.949 855 H SER 36 H SER 36 -14.869 17.512 8.668 856 HA SER 36 HA SER 36 -14.959 18.428 5.950 857 HB2 SER 36 HB2 SER 36 -14.621 16.083 6.685 858 HB3 SER 36 HB3 SER 36 -16.308 16.034 7.212 859 HG SER 36 HG SER 36 -15.279 16.337 4.580 860 H SER 37 H SER 37 -17.525 18.029 8.414 861 HA SER 37 HA SER 37 -19.729 18.608 6.737 862 HB2 SER 37 HB2 SER 37 -19.566 17.789 9.251 863 HB3 SER 37 HB3 SER 37 -19.860 19.499 9.594 864 HG SER 37 HG SER 37 -21.768 19.355 8.394 865 H GLU 38 H GLU 38 -17.591 20.586 8.586 866 HA GLU 38 HA GLU 38 -18.903 23.183 8.397 867 HB2 GLU 38 HB2 GLU 38 -16.181 22.209 9.338 868 HB3 GLU 38 HB3 GLU 38 -16.473 23.881 9.240 869 HG2 GLU 38 HG2 GLU 38 -18.244 22.022 10.868 870 HG3 GLU 38 HG3 GLU 38 -16.874 22.923 11.507 871 H ILE 39 H ILE 39 -15.949 21.854 6.752 872 HA ILE 39 HA ILE 39 -15.535 24.235 5.197 873 HB ILE 39 HB ILE 39 -14.169 22.819 3.726 874 HG12 ILE 39 HG12 ILE 39 -13.674 20.479 5.151 875 HG13 ILE 39 HG13 ILE 39 -15.422 20.591 5.155 876 HG21 ILE 39 HG21 ILE 39 -13.679 22.590 6.715 877 HG22 ILE 39 HG22 ILE 39 -12.416 22.418 5.480 878 HG23 ILE 39 HG23 ILE 39 -13.220 23.975 5.704 879 HD11 ILE 39 HD11 ILE 39 -14.696 19.268 3.280 880 HD12 ILE 39 HD12 ILE 39 -15.393 20.775 2.657 881 HD13 ILE 39 HD13 ILE 39 -13.626 20.570 2.711 882 H ASN 40 H ASN 40 -17.306 21.201 4.518 883 HA ASN 40 HA ASN 40 -18.092 22.240 1.920 884 HB2 ASN 40 HB2 ASN 40 -19.193 20.371 1.477 885 HB3 ASN 40 HB3 ASN 40 -18.066 19.765 2.684 886 HD21 ASN 40 HD21 ASN 40 -18.923 18.998 4.621 887 HD22 ASN 40 HD22 ASN 40 -20.658 18.867 4.903 888 H ASP 41 H ASP 41 -19.583 22.750 5.120 889 HA ASP 41 HA ASP 41 -22.066 23.759 4.012 890 HB2 ASP 41 HB2 ASP 41 -21.634 22.948 6.392 891 HB3 ASP 41 HB3 ASP 41 -20.851 24.500 6.694 892 H ILE 42 H ILE 42 -18.861 25.125 4.492 893 HA ILE 42 HA ILE 42 -19.788 27.861 3.764 894 HB ILE 42 HB ILE 42 -17.088 26.686 4.437 895 HG12 ILE 42 HG12 ILE 42 -17.176 28.598 6.096 896 HG13 ILE 42 HG13 ILE 42 -18.802 28.970 5.550 897 HG21 ILE 42 HG21 ILE 42 -17.619 29.473 3.306 898 HG22 ILE 42 HG22 ILE 42 -16.110 28.951 4.085 899 HG23 ILE 42 HG23 ILE 42 -16.605 28.205 2.572 900 HD11 ILE 42 HD11 ILE 42 -18.869 27.684 7.636 901 HD12 ILE 42 HD12 ILE 42 -19.521 26.663 6.365 902 HD13 ILE 42 HD13 ILE 42 -17.852 26.429 6.907 903 H GLU 43 H GLU 43 -17.985 25.241 2.214 904 HA GLU 43 HA GLU 43 -17.442 26.602 -0.223 905 HB2 GLU 43 HB2 GLU 43 -16.439 24.426 0.672 906 HB3 GLU 43 HB3 GLU 43 -17.842 23.593 0.063 907 HG2 GLU 43 HG2 GLU 43 -16.033 23.403 -1.544 908 HG3 GLU 43 HG3 GLU 43 -17.345 24.324 -2.240 909 H THR 44 H THR 44 -20.065 24.322 0.494 910 HA THR 44 HA THR 44 -21.485 25.145 -2.021 911 HB THR 44 HB THR 44 -20.550 22.954 -2.320 912 HG1 THR 44 HG1 THR 44 -22.449 21.948 -2.914 913 HG21 THR 44 HG21 THR 44 -22.162 22.115 0.122 914 HG22 THR 44 HG22 THR 44 -20.402 22.017 -0.114 915 HG23 THR 44 HG23 THR 44 -21.472 20.992 -1.069 916 H GLY 45 H GLY 45 -21.956 24.188 1.420 917 HA2 GLY 45 HA2 GLY 45 -24.751 24.806 1.484 918 HA3 GLY 45 HA3 GLY 45 -23.643 24.893 2.852 919 H THR 46 H THR 46 -21.995 26.949 1.357 920 HA THR 46 HA THR 46 -21.689 29.127 1.194 921 HB THR 46 HB THR 46 -23.242 30.567 -0.029 922 HG1 THR 46 HG1 THR 46 -25.208 29.565 0.612 923 HG21 THR 46 HG21 THR 46 -21.595 29.150 -1.194 924 HG22 THR 46 HG22 THR 46 -23.070 29.387 -2.146 925 HG23 THR 46 HG23 THR 46 -22.795 27.845 -1.311 926 H LYS 47 H LYS 47 -22.232 28.369 3.722 927 HA LYS 47 HA LYS 47 -23.641 30.433 5.193 928 HB2 LYS 47 HB2 LYS 47 -21.083 28.917 5.881 929 HB3 LYS 47 HB3 LYS 47 -22.020 29.886 6.997 930 HG2 LYS 47 HG2 LYS 47 -22.852 27.282 5.690 931 HG3 LYS 47 HG3 LYS 47 -22.431 27.532 7.365 932 HD2 LYS 47 HD2 LYS 47 -24.874 28.701 5.956 933 HD3 LYS 47 HD3 LYS 47 -24.882 27.261 6.950 934 HE2 LYS 47 HE2 LYS 47 -24.090 30.024 7.981 935 HE3 LYS 47 HE3 LYS 47 -25.714 29.342 8.094 936 HZ1 LYS 47 HZ1 LYS 47 -24.494 28.928 10.132 937 HZ2 LYS 47 HZ2 LYS 47 -23.296 28.149 9.341 938 HZ3 LYS 47 HZ3 LYS 47 -24.792 27.501 9.398 939 H ASN 48 H ASN 48 -22.891 32.431 6.001 940 HA ASN 48 HA ASN 48 -20.412 33.563 4.828 941 HB2 ASN 48 HB2 ASN 48 -22.245 33.967 3.200 942 HB3 ASN 48 HB3 ASN 48 -23.201 34.750 4.462 943 HD21 ASN 48 HD21 ASN 48 -19.952 34.972 2.871 944 HD22 ASN 48 HD22 ASN 48 -19.894 36.723 2.979 945 H VAL 49 H VAL 49 -19.328 34.722 6.210 946 HA VAL 49 HA VAL 49 -20.382 36.592 8.115 947 HB VAL 49 HB VAL 49 -20.845 34.638 9.453 948 HG11 VAL 49 HG11 VAL 49 -19.374 32.973 8.456 949 HG12 VAL 49 HG12 VAL 49 -17.954 33.815 9.117 950 HG13 VAL 49 HG13 VAL 49 -19.137 33.050 10.204 951 HG21 VAL 49 HG21 VAL 49 -19.664 35.017 11.484 952 HG22 VAL 49 HG22 VAL 49 -18.300 35.770 10.659 953 HG23 VAL 49 HG23 VAL 49 -19.884 36.589 10.692 954 H ASP 50 H ASP 50 -18.516 37.540 9.359 955 HA ASP 50 HA ASP 50 -16.087 38.139 7.940 956 HB2 ASP 50 HB2 ASP 50 -16.687 38.275 10.914 957 HB3 ASP 50 HB3 ASP 50 -15.468 39.189 10.046 958 H GLY 51 H GLY 51 -13.959 37.792 9.579 959 HA2 GLY 51 HA2 GLY 51 -12.885 35.372 9.017 960 HA3 GLY 51 HA3 GLY 51 -12.329 36.366 10.344 961 H THR 52 H THR 52 -15.332 35.531 11.357 962 HA THR 52 HA THR 52 -14.547 33.653 13.362 963 HB THR 52 HB THR 52 -17.230 34.311 12.088 964 HG1 THR 52 HG1 THR 52 -16.228 35.927 13.386 965 HG21 THR 52 HG21 THR 52 -16.632 32.604 14.529 966 HG22 THR 52 HG22 THR 52 -17.404 32.055 13.021 967 HG23 THR 52 HG23 THR 52 -18.245 33.216 14.056 968 H THR 53 H THR 53 -16.518 32.889 10.290 969 HA THR 53 HA THR 53 -16.112 30.142 10.766 970 HB THR 53 HB THR 53 -17.945 31.136 9.418 971 HG1 THR 53 HG1 THR 53 -17.639 28.980 9.407 972 HG21 THR 53 HG21 THR 53 -16.017 31.030 7.060 973 HG22 THR 53 HG22 THR 53 -16.516 32.551 7.836 974 HG23 THR 53 HG23 THR 53 -17.721 31.506 7.062 975 H TYR 54 H TYR 54 -14.293 32.343 8.635 976 HA TYR 54 HA TYR 54 -12.450 30.650 7.399 977 HB2 TYR 54 HB2 TYR 54 -12.010 33.329 8.795 978 HB3 TYR 54 HB3 TYR 54 -10.797 32.533 7.829 979 HD1 TYR 54 HD1 TYR 54 -14.193 34.125 7.620 980 HD2 TYR 54 HD2 TYR 54 -10.802 32.566 5.451 981 HE1 TYR 54 HE1 TYR 54 -15.083 35.121 5.534 982 HE2 TYR 54 HE2 TYR 54 -11.700 33.573 3.348 983 HH TYR 54 HH TYR 54 -14.767 35.433 3.284 984 H LYS 55 H LYS 55 -12.023 32.193 10.639 985 HA LYS 55 HA LYS 55 -9.782 30.810 11.352 986 HB2 LYS 55 HB2 LYS 55 -10.555 32.958 12.221 987 HB3 LYS 55 HB3 LYS 55 -11.869 32.204 13.045 988 HG2 LYS 55 HG2 LYS 55 -10.068 32.250 14.728 989 HG3 LYS 55 HG3 LYS 55 -9.834 30.664 14.060 990 HD2 LYS 55 HD2 LYS 55 -8.437 32.090 12.205 991 HD3 LYS 55 HD3 LYS 55 -8.274 33.193 13.569 992 HE2 LYS 55 HE2 LYS 55 -7.425 31.312 14.999 993 HE3 LYS 55 HE3 LYS 55 -7.516 30.233 13.605 994 HZ1 LYS 55 HZ1 LYS 55 -5.798 32.657 13.787 995 HZ2 LYS 55 HZ2 LYS 55 -5.884 31.681 12.478 996 HZ3 LYS 55 HZ3 LYS 55 -5.271 31.116 13.884 997 H LYS 56 H LYS 56 -13.170 29.838 12.104 998 HA LYS 56 HA LYS 56 -12.572 27.400 13.527 999 HB2 LYS 56 HB2 LYS 56 -14.909 28.233 11.881 1000 HB3 LYS 56 HB3 LYS 56 -14.703 26.573 12.466 1001 HG2 LYS 56 HG2 LYS 56 -15.759 27.396 14.278 1002 HG3 LYS 56 HG3 LYS 56 -14.137 27.857 14.786 1003 HD2 LYS 56 HD2 LYS 56 -14.365 30.082 14.056 1004 HD3 LYS 56 HD3 LYS 56 -15.960 29.825 13.307 1005 HE2 LYS 56 HE2 LYS 56 -15.262 29.288 16.190 1006 HE3 LYS 56 HE3 LYS 56 -15.833 30.877 15.654 1007 HZ1 LYS 56 HZ1 LYS 56 -17.920 29.804 14.948 1008 HZ2 LYS 56 HZ2 LYS 56 -17.652 29.534 16.538 1009 HZ3 LYS 56 HZ3 LYS 56 -17.382 28.344 15.469 1010 H LEU 57 H LEU 57 -12.778 27.805 9.915 1011 HA LEU 57 HA LEU 57 -12.247 24.978 9.489 1012 HB2 LEU 57 HB2 LEU 57 -11.813 27.179 7.502 1013 HB3 LEU 57 HB3 LEU 57 -12.099 25.491 7.154 1014 HG LEU 57 HG LEU 57 -14.127 27.500 8.191 1015 HD11 LEU 57 HD11 LEU 57 -15.240 27.159 6.062 1016 HD12 LEU 57 HD12 LEU 57 -13.953 26.059 5.534 1017 HD13 LEU 57 HD13 LEU 57 -13.595 27.769 5.833 1018 HD21 LEU 57 HD21 LEU 57 -14.510 24.556 7.627 1019 HD22 LEU 57 HD22 LEU 57 -15.802 25.736 7.930 1020 HD23 LEU 57 HD23 LEU 57 -14.631 25.367 9.201 1021 H VAL 58 H VAL 58 -10.156 27.894 9.455 1022 HA VAL 58 HA VAL 58 -7.837 26.308 8.699 1023 HB VAL 58 HB VAL 58 -8.289 28.673 8.027 1024 HG11 VAL 58 HG11 VAL 58 -8.776 29.442 10.371 1025 HG12 VAL 58 HG12 VAL 58 -7.037 29.484 10.670 1026 HG13 VAL 58 HG13 VAL 58 -7.764 30.511 9.398 1027 HG21 VAL 58 HG21 VAL 58 -5.562 28.184 9.250 1028 HG22 VAL 58 HG22 VAL 58 -6.105 27.579 7.660 1029 HG23 VAL 58 HG23 VAL 58 -5.959 29.323 7.947 1030 H THR 59 H THR 59 -9.262 27.174 11.752 1031 HA THR 59 HA THR 59 -6.847 26.580 13.317 1032 HB THR 59 HB THR 59 -8.736 27.979 14.186 1033 HG1 THR 59 HG1 THR 59 -7.189 27.350 15.575 1034 HG21 THR 59 HG21 THR 59 -10.109 25.290 14.430 1035 HG22 THR 59 HG22 THR 59 -10.668 26.830 13.840 1036 HG23 THR 59 HG23 THR 59 -10.414 26.613 15.570 1037 H LEU 60 H LEU 60 -9.641 24.778 12.120 1038 HA LEU 60 HA LEU 60 -9.311 22.286 13.357 1039 HB2 LEU 60 HB2 LEU 60 -10.278 23.058 10.676 1040 HB3 LEU 60 HB3 LEU 60 -9.678 21.417 10.816 1041 HG LEU 60 HG LEU 60 -12.030 21.504 11.099 1042 HD11 LEU 60 HD11 LEU 60 -10.957 20.800 13.839 1043 HD12 LEU 60 HD12 LEU 60 -10.769 19.759 12.406 1044 HD13 LEU 60 HD13 LEU 60 -12.386 20.174 12.980 1045 HD21 LEU 60 HD21 LEU 60 -13.075 22.481 13.127 1046 HD22 LEU 60 HD22 LEU 60 -12.482 23.601 11.904 1047 HD23 LEU 60 HD23 LEU 60 -11.535 23.364 13.395 1048 H TYR 61 H TYR 61 -7.528 23.291 10.415 1049 HA TYR 61 HA TYR 61 -5.693 21.021 10.610 1050 HB2 TYR 61 HB2 TYR 61 -4.838 21.560 8.666 1051 HB3 TYR 61 HB3 TYR 61 -6.157 22.733 8.536 1052 HD1 TYR 61 HD2 TYR 61 -2.544 22.178 9.039 1053 HD2 TYR 61 HD1 TYR 61 -5.612 25.174 8.796 1054 HE1 TYR 61 HE2 TYR 61 -0.807 23.912 8.784 1055 HE2 TYR 61 HE1 TYR 61 -3.856 26.931 8.605 1056 HH TYR 61 HH TYR 61 -1.609 27.395 8.545 1057 H ASP 62 H ASP 62 -5.545 24.314 11.691 1058 HA ASP 62 HA ASP 62 -2.858 24.415 12.550 1059 HB2 ASP 62 HB2 ASP 62 -4.578 26.341 12.469 1060 HB3 ASP 62 HB3 ASP 62 -5.026 25.826 14.106 1061 H ARG 63 H ARG 63 -5.505 22.626 14.056 1062 HA ARG 63 HA ARG 63 -3.398 21.660 15.986 1063 HB2 ARG 63 HB2 ARG 63 -6.357 21.365 16.532 1064 HB3 ARG 63 HB3 ARG 63 -5.012 20.911 17.569 1065 HG2 ARG 63 HG2 ARG 63 -5.935 23.686 16.875 1066 HG3 ARG 63 HG3 ARG 63 -6.008 22.807 18.429 1067 HD2 ARG 63 HD2 ARG 63 -3.824 23.090 18.921 1068 HD3 ARG 63 HD3 ARG 63 -3.323 23.373 17.262 1069 HE ARG 63 HE ARG 63 -5.094 25.323 18.689 1070 HH11 ARG 63 HH11 ARG 63 -2.403 24.868 16.475 1071 HH12 ARG 63 HH12 ARG 63 -2.204 26.581 16.302 1072 HH21 ARG 63 HH21 ARG 63 -4.751 27.408 18.393 1073 HH22 ARG 63 HH22 ARG 63 -3.479 27.976 17.329 1074 H PHE 64 H PHE 64 -5.733 20.494 13.572 1075 HA PHE 64 HA PHE 64 -5.387 17.731 14.299 1076 HB2 PHE 64 HB2 PHE 64 -7.324 18.411 13.098 1077 HB3 PHE 64 HB3 PHE 64 -6.352 19.192 11.852 1078 HD1 PHE 64 HD1 PHE 64 -7.362 15.865 13.240 1079 HD2 PHE 64 HD2 PHE 64 -5.450 17.953 10.021 1080 HE1 PHE 64 HE1 PHE 64 -7.332 13.763 11.897 1081 HE2 PHE 64 HE2 PHE 64 -5.417 15.875 8.663 1082 HZ PHE 64 HZ PHE 64 -6.298 13.753 9.635 1083 H ARG 65 H ARG 65 -3.741 19.730 11.764 1084 HA ARG 65 HA ARG 65 -2.109 17.551 10.729 1085 HB2 ARG 65 HB2 ARG 65 -2.174 20.601 10.526 1086 HB3 ARG 65 HB3 ARG 65 -1.021 19.693 9.697 1087 HG2 ARG 65 HG2 ARG 65 -3.963 19.677 9.242 1088 HG3 ARG 65 HG3 ARG 65 -2.700 20.174 8.104 1089 HD2 ARG 65 HD2 ARG 65 -3.457 17.433 9.009 1090 HD3 ARG 65 HD3 ARG 65 -3.643 18.079 7.384 1091 HE ARG 65 HE ARG 65 -1.018 18.172 7.465 1092 HH11 ARG 65 HH11 ARG 65 -2.903 15.578 8.918 1093 HH12 ARG 65 HH12 ARG 65 -1.704 14.367 8.513 1094 HH21 ARG 65 HH22 ARG 65 0.495 16.549 7.078 1095 HH22 ARG 65 HH21 ARG 65 0.135 14.917 7.578 1096 H PHE 66 H PHE 66 -1.767 20.021 12.994 1097 HA PHE 66 HA PHE 66 1.070 19.414 13.632 1098 HB2 PHE 66 HB2 PHE 66 -0.724 21.687 14.508 1099 HB3 PHE 66 HB3 PHE 66 0.962 21.530 14.945 1100 HD1 PHE 66 HD1 PHE 66 2.219 20.677 12.319 1101 HD2 PHE 66 HD2 PHE 66 -0.792 23.638 13.209 1102 HE1 PHE 66 HE1 PHE 66 2.853 21.939 10.289 1103 HE2 PHE 66 HE2 PHE 66 -0.143 24.904 11.184 1104 HZ PHE 66 HZ PHE 66 1.682 24.057 9.715 1105 H GLU 67 H GLU 67 -1.750 19.952 15.804 1106 HA GLU 67 HA GLU 67 -0.027 19.225 18.075 1107 HB2 GLU 67 HB2 GLU 67 -2.773 20.604 17.908 1108 HB3 GLU 67 HB3 GLU 67 -1.962 20.172 19.384 1109 HG2 GLU 67 HG2 GLU 67 -0.907 22.058 17.229 1110 HG3 GLU 67 HG3 GLU 67 -1.566 22.522 18.789 1111 H ASN 68 H ASN 68 -3.051 18.108 16.799 1112 HA ASN 68 HA ASN 68 -3.169 15.852 18.738 1113 HB2 ASN 68 HB2 ASN 68 -5.505 17.513 17.709 1114 HB3 ASN 68 HB3 ASN 68 -5.669 16.034 18.637 1115 HD21 ASN 68 HD21 ASN 68 -4.716 19.394 18.803 1116 HD22 ASN 68 HD22 ASN 68 -4.602 19.464 20.566 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 0.486 -6.622 -9.246 2 H2 GLY 1 H2 GLY 1 0.762 -7.310 -7.785 3 H3 GLY 1 H3 GLY 1 1.988 -6.580 -8.591 4 HA2 GLY 1 HA2 GLY 1 1.235 -5.170 -6.790 5 HA3 GLY 1 HA3 GLY 1 0.955 -4.425 -8.374 6 H SER 2 H SER 2 -0.432 -4.481 -5.556 7 HA SER 2 HA SER 2 -3.249 -4.690 -6.534 8 HB2 SER 2 HB2 SER 2 -2.184 -5.856 -3.932 9 HB3 SER 2 HB3 SER 2 -3.883 -5.805 -4.435 10 HG SER 2 HG SER 2 -2.896 -7.832 -4.894 11 H HIS 3 H HIS 3 -4.781 -3.513 -5.313 12 HA HIS 3 HA HIS 3 -5.605 -1.638 -4.354 13 HB2 HIS 3 HB2 HIS 3 -3.540 -2.108 -2.206 14 HB3 HIS 3 HB3 HIS 3 -5.111 -1.335 -2.019 15 HD1 HIS 3 HD1 HIS 3 -6.913 -3.681 -3.394 16 HD2 HIS 3 HD2 HIS 3 -3.708 -4.201 -0.715 17 HE1 HIS 3 HE1 HIS 3 -7.220 -5.982 -2.353 18 H MET 4 H MET 4 -3.633 -0.972 -6.328 19 HA MET 4 HA MET 4 -1.746 0.918 -5.373 20 HB2 MET 4 HB2 MET 4 -1.532 -0.245 -7.524 21 HB3 MET 4 HB3 MET 4 -2.944 0.604 -8.156 22 HG2 MET 4 HG2 MET 4 -0.825 1.590 -8.948 23 HG3 MET 4 HG3 MET 4 -1.807 2.735 -8.050 24 HE1 MET 4 HE1 MET 4 1.421 0.513 -8.083 25 HE2 MET 4 HE2 MET 4 2.141 0.835 -6.491 26 HE3 MET 4 HE3 MET 4 0.650 -0.120 -6.608 27 H ARG 5 H ARG 5 -2.193 2.711 -4.347 28 HA ARG 5 HA ARG 5 -4.727 3.977 -4.265 29 HB2 ARG 5 HB2 ARG 5 -2.582 3.893 -2.671 30 HB3 ARG 5 HB3 ARG 5 -2.207 5.407 -3.442 31 HG2 ARG 5 HG2 ARG 5 -4.517 6.213 -2.734 32 HG3 ARG 5 HG3 ARG 5 -4.758 4.773 -1.883 33 HD2 ARG 5 HD2 ARG 5 -3.978 6.661 -0.414 34 HD3 ARG 5 HD3 ARG 5 -3.338 5.066 -0.192 35 HE ARG 5 HE ARG 5 -1.214 5.781 -0.748 36 HH11 ARG 5 HH11 ARG 5 -3.388 8.336 -1.620 37 HH12 ARG 5 HH12 ARG 5 -2.143 9.292 -2.390 38 HH21 ARG 5 HH21 ARG 5 0.398 7.144 -1.517 39 HH22 ARG 5 HH22 ARG 5 -0.038 8.713 -2.130 40 H MET 6 H MET 6 -5.458 6.009 -4.971 41 HA MET 6 HA MET 6 -3.856 7.213 -7.124 42 HB2 MET 6 HB2 MET 6 -6.871 7.019 -6.960 43 HB3 MET 6 HB3 MET 6 -5.981 7.706 -8.319 44 HG2 MET 6 HG2 MET 6 -5.861 4.804 -7.441 45 HG3 MET 6 HG3 MET 6 -6.783 5.440 -8.802 46 HE1 MET 6 HE1 MET 6 -4.043 3.351 -10.620 47 HE2 MET 6 HE2 MET 6 -4.874 2.969 -9.097 48 HE3 MET 6 HE3 MET 6 -5.782 3.675 -10.453 49 H SER 7 H SER 7 -4.187 8.093 -4.281 50 HA SER 7 HA SER 7 -4.609 9.788 -3.009 51 HB2 SER 7 HB2 SER 7 -3.353 11.305 -5.333 52 HB3 SER 7 HB3 SER 7 -3.545 11.979 -3.703 53 HG SER 7 HG SER 7 -1.471 10.974 -4.168 54 H LEU 8 H LEU 8 -5.373 12.068 -5.724 55 HA LEU 8 HA LEU 8 -8.180 12.117 -4.711 56 HB2 LEU 8 HB2 LEU 8 -6.729 14.729 -5.196 57 HB3 LEU 8 HB3 LEU 8 -8.289 14.450 -4.526 58 HG LEU 8 HG LEU 8 -5.870 13.362 -3.038 59 HD11 LEU 8 HD11 LEU 8 -5.424 15.752 -3.399 60 HD12 LEU 8 HD12 LEU 8 -5.745 15.322 -1.714 61 HD13 LEU 8 HD13 LEU 8 -7.007 16.142 -2.680 62 HD21 LEU 8 HD21 LEU 8 -8.162 12.638 -2.443 63 HD22 LEU 8 HD22 LEU 8 -8.647 14.336 -2.313 64 HD23 LEU 8 HD23 LEU 8 -7.460 13.662 -1.158 65 H ILE 9 H ILE 9 -8.911 11.054 -6.482 66 HA ILE 9 HA ILE 9 -8.375 11.895 -9.171 67 HB ILE 9 HB ILE 9 -10.807 10.297 -8.363 68 HG12 ILE 9 HG12 ILE 9 -7.981 9.165 -8.327 69 HG13 ILE 9 HG13 ILE 9 -9.007 9.345 -6.939 70 HG21 ILE 9 HG21 ILE 9 -8.815 9.971 -10.648 71 HG22 ILE 9 HG22 ILE 9 -10.380 9.148 -10.472 72 HG23 ILE 9 HG23 ILE 9 -10.337 10.882 -10.760 73 HD11 ILE 9 HD11 ILE 9 -9.467 7.439 -9.234 74 HD12 ILE 9 HD12 ILE 9 -9.144 7.086 -7.528 75 HD13 ILE 9 HD13 ILE 9 -10.685 7.824 -7.986 76 H GLY 10 H GLY 10 -10.921 12.560 -6.845 77 HA2 GLY 10 HA2 GLY 10 -12.193 14.632 -6.851 78 HA3 GLY 10 HA3 GLY 10 -12.163 14.653 -8.595 79 H GLU 11 H GLU 11 -12.821 11.481 -7.645 80 HA GLU 11 HA GLU 11 -15.638 11.848 -6.813 81 HB2 GLU 11 HB2 GLU 11 -16.073 9.701 -8.295 82 HB3 GLU 11 HB3 GLU 11 -16.413 11.330 -8.873 83 HG2 GLU 11 HG2 GLU 11 -13.799 9.897 -9.500 84 HG3 GLU 11 HG3 GLU 11 -15.266 9.629 -10.432 85 H ARG 12 H ARG 12 -13.352 9.260 -7.711 86 HA ARG 12 HA ARG 12 -12.669 7.366 -6.671 87 HB2 ARG 12 HB2 ARG 12 -12.898 8.550 -3.956 88 HB3 ARG 12 HB3 ARG 12 -11.778 7.421 -4.673 89 HG2 ARG 12 HG2 ARG 12 -10.350 9.096 -4.676 90 HG3 ARG 12 HG3 ARG 12 -11.091 9.482 -6.205 91 HD2 ARG 12 HD2 ARG 12 -10.900 11.511 -4.858 92 HD3 ARG 12 HD3 ARG 12 -12.603 11.125 -5.029 93 HE ARG 12 HE ARG 12 -10.914 10.707 -2.589 94 HH11 ARG 12 HH11 ARG 12 -14.180 11.105 -3.863 95 HH12 ARG 12 HH12 ARG 12 -14.752 11.663 -2.331 96 HH21 ARG 12 HH21 ARG 12 -11.878 11.139 -0.601 97 HH22 ARG 12 HH22 ARG 12 -13.595 11.398 -0.542 98 H PHE 13 H PHE 13 -15.359 7.381 -7.280 99 HA PHE 13 HA PHE 13 -17.171 6.403 -5.274 100 HB2 PHE 13 HB2 PHE 13 -16.954 5.959 -8.284 101 HB3 PHE 13 HB3 PHE 13 -18.333 5.524 -7.310 102 HD1 PHE 13 HD1 PHE 13 -17.731 8.488 -5.735 103 HD2 PHE 13 HD2 PHE 13 -18.699 7.089 -9.700 104 HE1 PHE 13 HE1 PHE 13 -18.770 10.670 -6.251 105 HE2 PHE 13 HE2 PHE 13 -19.723 9.290 -10.217 106 HZ PHE 13 HZ PHE 13 -19.764 11.083 -8.492 107 H THR 14 H THR 14 -17.994 4.113 -5.262 108 HA THR 14 HA THR 14 -16.395 2.311 -4.196 109 HB THR 14 HB THR 14 -18.792 2.116 -4.382 110 HG1 THR 14 HG1 THR 14 -18.841 -0.113 -4.387 111 HG21 THR 14 HG21 THR 14 -19.045 2.411 -6.877 112 HG22 THR 14 HG22 THR 14 -19.936 1.045 -6.194 113 HG23 THR 14 HG23 THR 14 -18.429 0.753 -7.076 114 H GLU 15 H GLU 15 -16.608 2.246 -7.828 115 HA GLU 15 HA GLU 15 -14.679 0.045 -8.000 116 HB2 GLU 15 HB2 GLU 15 -15.761 1.948 -10.113 117 HB3 GLU 15 HB3 GLU 15 -14.713 0.560 -10.431 118 HG2 GLU 15 HG2 GLU 15 -16.436 -0.941 -9.388 119 HG3 GLU 15 HG3 GLU 15 -17.513 0.450 -9.239 120 H GLU 16 H GLU 16 -14.450 3.496 -8.026 121 HA GLU 16 HA GLU 16 -11.536 3.615 -8.614 122 HB2 GLU 16 HB2 GLU 16 -13.682 5.758 -8.311 123 HB3 GLU 16 HB3 GLU 16 -11.981 6.092 -8.604 124 HG2 GLU 16 HG2 GLU 16 -12.016 4.921 -10.727 125 HG3 GLU 16 HG3 GLU 16 -13.694 4.424 -10.487 126 H GLU 17 H GLU 17 -13.400 3.067 -5.970 127 HA GLU 17 HA GLU 17 -12.390 4.761 -4.001 128 HB2 GLU 17 HB2 GLU 17 -14.423 3.288 -3.952 129 HB3 GLU 17 HB3 GLU 17 -13.367 1.914 -3.591 130 HG2 GLU 17 HG2 GLU 17 -12.681 3.044 -1.472 131 HG3 GLU 17 HG3 GLU 17 -13.674 4.434 -1.916 132 H GLN 18 H GLN 18 -10.722 2.191 -5.360 133 HA GLN 18 HA GLN 18 -9.128 0.975 -3.632 134 HB2 GLN 18 HB2 GLN 18 -7.306 0.679 -4.981 135 HB3 GLN 18 HB3 GLN 18 -8.729 0.685 -5.993 136 HG2 GLN 18 HG2 GLN 18 -6.709 2.944 -5.629 137 HG3 GLN 18 HG3 GLN 18 -6.853 1.784 -6.988 138 HE21 GLN 18 HE22 GLN 18 -7.724 4.892 -5.997 139 HE22 GLN 18 HE21 GLN 18 -9.242 5.053 -6.894 140 H LYS 19 H LYS 19 -8.665 4.344 -4.339 141 HA LYS 19 HA LYS 19 -6.518 5.129 -2.709 142 HB2 LYS 19 HB2 LYS 19 -7.633 6.654 -4.186 143 HB3 LYS 19 HB3 LYS 19 -9.154 6.277 -3.510 144 HG2 LYS 19 HG2 LYS 19 -8.086 8.535 -3.083 145 HG3 LYS 19 HG3 LYS 19 -9.095 7.658 -1.916 146 HD2 LYS 19 HD2 LYS 19 -7.601 7.390 -0.395 147 HD3 LYS 19 HD3 LYS 19 -6.247 7.227 -1.460 148 HE2 LYS 19 HE2 LYS 19 -6.249 9.262 0.126 149 HE3 LYS 19 HE3 LYS 19 -5.979 9.637 -1.568 150 HZ1 LYS 19 HZ1 LYS 19 -8.678 9.862 -0.335 151 HZ2 LYS 19 HZ2 LYS 19 -8.152 10.406 -1.814 152 HZ3 LYS 19 HZ3 LYS 19 -7.628 11.114 -0.450 153 H LEU 20 H LEU 20 -9.898 5.084 -1.691 154 HA LEU 20 HA LEU 20 -9.373 5.791 1.066 155 HB2 LEU 20 HB2 LEU 20 -11.894 4.788 -0.351 156 HB3 LEU 20 HB3 LEU 20 -11.869 5.507 1.210 157 HG LEU 20 HG LEU 20 -12.678 7.188 0.055 158 HD11 LEU 20 HD11 LEU 20 -10.979 8.951 -0.161 159 HD12 LEU 20 HD12 LEU 20 -9.687 7.757 0.080 160 HD13 LEU 20 HD13 LEU 20 -10.857 8.039 1.359 161 HD21 LEU 20 HD21 LEU 20 -12.648 6.336 -2.107 162 HD22 LEU 20 HD22 LEU 20 -10.897 6.399 -2.268 163 HD23 LEU 20 HD23 LEU 20 -11.827 7.905 -2.174 164 H LEU 21 H LEU 21 -10.087 3.025 -0.774 165 HA LEU 21 HA LEU 21 -10.440 0.836 1.024 166 HB2 LEU 21 HB2 LEU 21 -11.037 0.641 -1.244 167 HB3 LEU 21 HB3 LEU 21 -9.559 1.378 -1.753 168 HG LEU 21 HG LEU 21 -9.752 -0.838 -2.569 169 HD11 LEU 21 HD11 LEU 21 -7.435 -1.003 -0.640 170 HD12 LEU 21 HD12 LEU 21 -7.420 -0.069 -2.155 171 HD13 LEU 21 HD13 LEU 21 -7.677 -1.803 -2.186 172 HD21 LEU 21 HD21 LEU 21 -9.632 -2.787 -1.150 173 HD22 LEU 21 HD22 LEU 21 -10.992 -1.782 -0.603 174 HD23 LEU 21 HD23 LEU 21 -9.444 -1.772 0.308 175 H LEU 22 H LEU 22 -7.370 2.304 -0.465 176 HA LEU 22 HA LEU 22 -5.915 0.138 0.866 177 HB2 LEU 22 HB2 LEU 22 -5.131 1.083 -1.233 178 HB3 LEU 22 HB3 LEU 22 -4.906 2.669 -0.518 179 HG LEU 22 HG LEU 22 -2.850 1.283 -0.976 180 HD11 LEU 22 HD11 LEU 22 -1.609 1.893 0.976 181 HD12 LEU 22 HD12 LEU 22 -3.073 2.071 1.946 182 HD13 LEU 22 HD13 LEU 22 -2.760 3.177 0.601 183 HD21 LEU 22 HD21 LEU 22 -3.707 -0.338 1.450 184 HD22 LEU 22 HD22 LEU 22 -2.174 -0.469 0.568 185 HD23 LEU 22 HD23 LEU 22 -3.695 -0.911 -0.218 186 H ASN 23 H ASN 23 -6.495 3.539 1.341 187 HA ASN 23 HA ASN 23 -5.037 4.098 3.668 188 HB2 ASN 23 HB2 ASN 23 -7.529 5.218 2.272 189 HB3 ASN 23 HB3 ASN 23 -6.991 5.892 3.722 190 HD21 ASN 23 HD21 ASN 23 -7.050 7.280 1.379 191 HD22 ASN 23 HD22 ASN 23 -5.389 7.661 0.939 192 H ILE 24 H ILE 24 -8.305 2.663 3.496 193 HA ILE 24 HA ILE 24 -8.401 2.493 6.457 194 HB ILE 24 HB ILE 24 -10.465 1.336 6.256 195 HG12 ILE 24 HG12 ILE 24 -9.873 1.174 3.307 196 HG13 ILE 24 HG13 ILE 24 -10.159 -0.121 4.427 197 HG21 ILE 24 HG21 ILE 24 -10.478 3.759 4.432 198 HG22 ILE 24 HG22 ILE 24 -11.824 3.128 5.394 199 HG23 ILE 24 HG23 ILE 24 -10.403 3.795 6.199 200 HD11 ILE 24 HD11 ILE 24 -12.238 1.850 3.398 201 HD12 ILE 24 HD12 ILE 24 -12.104 0.123 3.028 202 HD13 ILE 24 HD13 ILE 24 -12.544 0.638 4.670 203 H LEU 25 H LEU 25 -7.428 0.350 3.823 204 HA LEU 25 HA LEU 25 -7.459 -2.054 5.359 205 HB2 LEU 25 HB2 LEU 25 -7.683 -1.974 2.994 206 HB3 LEU 25 HB3 LEU 25 -6.101 -1.247 2.765 207 HG LEU 25 HG LEU 25 -6.294 -3.971 4.073 208 HD11 LEU 25 HD11 LEU 25 -6.189 -5.007 1.822 209 HD12 LEU 25 HD12 LEU 25 -6.424 -3.409 1.078 210 HD13 LEU 25 HD13 LEU 25 -7.707 -4.134 2.070 211 HD21 LEU 25 HD21 LEU 25 -4.041 -2.870 3.886 212 HD22 LEU 25 HD22 LEU 25 -4.273 -2.731 2.135 213 HD23 LEU 25 HD23 LEU 25 -4.146 -4.328 2.900 214 H ILE 26 H ILE 26 -4.949 0.414 4.876 215 HA ILE 26 HA ILE 26 -2.899 -1.104 6.297 216 HB ILE 26 HB ILE 26 -1.464 0.783 6.016 217 HG12 ILE 26 HG12 ILE 26 -3.725 2.363 4.739 218 HG13 ILE 26 HG13 ILE 26 -3.262 2.557 6.423 219 HG21 ILE 26 HG21 ILE 26 -1.779 -0.800 4.167 220 HG22 ILE 26 HG22 ILE 26 -3.035 0.239 3.480 221 HG23 ILE 26 HG23 ILE 26 -1.362 0.814 3.582 222 HD11 ILE 26 HD11 ILE 26 -1.458 3.064 4.030 223 HD12 ILE 26 HD12 ILE 26 -2.171 4.265 5.121 224 HD13 ILE 26 HD13 ILE 26 -0.948 3.133 5.738 225 H ASN 27 H ASN 27 -1.599 0.471 7.925 226 HA ASN 27 HA ASN 27 -2.879 -0.188 10.332 227 HB2 ASN 27 HB2 ASN 27 -0.861 0.719 11.382 228 HB3 ASN 27 HB3 ASN 27 -0.474 -0.307 10.005 229 HD21 ASN 27 HD21 ASN 27 0.629 0.683 8.169 230 HD22 ASN 27 HD22 ASN 27 1.144 2.355 8.257 231 H HIS 28 H HIS 28 -2.815 3.016 8.808 232 HA HIS 28 HA HIS 28 -4.969 3.770 10.633 233 HB2 HIS 28 HB2 HIS 28 -4.127 5.867 11.344 234 HB3 HIS 28 HB3 HIS 28 -2.941 4.653 11.780 235 HD1 HIS 28 HD1 HIS 28 -3.424 7.387 9.030 236 HD2 HIS 28 HD2 HIS 28 -0.479 5.228 11.130 237 HE1 HIS 28 HE1 HIS 28 -1.187 8.417 8.386 238 H GLU 29 H GLU 29 -6.284 5.510 9.910 239 HA GLU 29 HA GLU 29 -6.692 5.620 7.075 240 HB2 GLU 29 HB2 GLU 29 -8.505 7.141 7.574 241 HB3 GLU 29 HB3 GLU 29 -8.514 5.758 8.666 242 HG2 GLU 29 HG2 GLU 29 -7.307 7.267 10.376 243 HG3 GLU 29 HG3 GLU 29 -7.657 8.613 9.290 244 H TYR 30 H TYR 30 -6.585 7.394 5.631 245 HA TYR 30 HA TYR 30 -4.378 9.326 6.249 246 HB2 TYR 30 HB2 TYR 30 -3.491 7.165 5.427 247 HB3 TYR 30 HB3 TYR 30 -4.511 7.323 3.992 248 HD1 TYR 30 HD2 TYR 30 -2.126 9.593 5.878 249 HD2 TYR 30 HD1 TYR 30 -3.299 7.912 2.083 250 HE1 TYR 30 HE2 TYR 30 -0.394 10.944 4.738 251 HE2 TYR 30 HE1 TYR 30 -1.581 9.254 0.946 252 HH TYR 30 HH TYR 30 0.648 11.434 2.746 253 H ALA 31 H ALA 31 -6.760 8.494 3.602 254 HA ALA 31 HA ALA 31 -7.001 10.585 2.141 255 HB1 ALA 31 HB1 ALA 31 -9.480 10.338 2.281 256 HB2 ALA 31 HB2 ALA 31 -8.581 8.797 2.153 257 HB3 ALA 31 HB3 ALA 31 -9.265 9.330 3.715 258 H ILE 32 H ILE 32 -8.348 10.690 5.492 259 HA ILE 32 HA ILE 32 -9.124 13.357 5.509 260 HB ILE 32 HB ILE 32 -8.234 11.550 7.768 261 HG12 ILE 32 HG12 ILE 32 -10.663 11.431 8.329 262 HG13 ILE 32 HG13 ILE 32 -11.038 12.314 6.854 263 HG21 ILE 32 HG21 ILE 32 -8.125 13.959 8.494 264 HG22 ILE 32 HG22 ILE 32 -9.824 14.125 7.978 265 HG23 ILE 32 HG23 ILE 32 -9.350 13.031 9.313 266 HD11 ILE 32 HD11 ILE 32 -11.287 9.735 6.894 267 HD12 ILE 32 HD12 ILE 32 -10.429 10.428 5.510 268 HD13 ILE 32 HD13 ILE 32 -9.521 9.672 6.856 269 H GLU 33 H GLU 33 -5.979 11.983 6.508 270 HA GLU 33 HA GLU 33 -4.726 14.405 7.343 271 HB2 GLU 33 HB2 GLU 33 -3.814 12.032 7.522 272 HB3 GLU 33 HB3 GLU 33 -3.273 12.216 5.841 273 HG2 GLU 33 HG2 GLU 33 -1.980 14.243 6.508 274 HG3 GLU 33 HG3 GLU 33 -2.495 14.012 8.180 275 H LEU 34 H LEU 34 -5.123 12.997 4.105 276 HA LEU 34 HA LEU 34 -3.849 15.107 2.683 277 HB2 LEU 34 HB2 LEU 34 -6.281 13.611 1.589 278 HB3 LEU 34 HB3 LEU 34 -5.033 14.453 0.712 279 HG LEU 34 HG LEU 34 -4.944 11.735 2.015 280 HD11 LEU 34 HD11 LEU 34 -5.746 12.066 -0.349 281 HD12 LEU 34 HD12 LEU 34 -4.291 11.044 -0.226 282 HD13 LEU 34 HD13 LEU 34 -4.160 12.732 -0.756 283 HD21 LEU 34 HD21 LEU 34 -2.565 11.638 1.264 284 HD22 LEU 34 HD22 LEU 34 -2.854 12.604 2.709 285 HD23 LEU 34 HD23 LEU 34 -2.587 13.413 1.123 286 H LEU 35 H LEU 35 -7.328 14.685 3.569 287 HA LEU 35 HA LEU 35 -8.372 16.961 2.363 288 HB2 LEU 35 HB2 LEU 35 -9.762 15.282 3.523 289 HB3 LEU 35 HB3 LEU 35 -9.026 15.616 5.038 290 HG LEU 35 HG LEU 35 -10.052 17.713 5.314 291 HD11 LEU 35 HD11 LEU 35 -10.162 18.334 2.840 292 HD12 LEU 35 HD12 LEU 35 -11.510 18.797 3.868 293 HD13 LEU 35 HD13 LEU 35 -11.674 17.414 2.779 294 HD21 LEU 35 HD21 LEU 35 -12.403 16.986 5.448 295 HD22 LEU 35 HD22 LEU 35 -11.300 15.717 5.993 296 HD23 LEU 35 HD23 LEU 35 -12.050 15.609 4.390 297 H SER 36 H SER 36 -7.200 16.793 5.772 298 HA SER 36 HA SER 36 -7.613 19.546 6.308 299 HB2 SER 36 HB2 SER 36 -7.303 17.635 7.924 300 HB3 SER 36 HB3 SER 36 -5.552 17.788 7.648 301 HG SER 36 HG SER 36 -6.644 19.014 9.445 302 H SER 37 H SER 37 -4.631 17.847 5.241 303 HA SER 37 HA SER 37 -2.923 20.128 5.319 304 HB2 SER 37 HB2 SER 37 -2.294 17.669 5.039 305 HB3 SER 37 HB3 SER 37 -2.648 17.884 3.310 306 HG SER 37 HG SER 37 -0.447 18.329 3.784 307 H GLU 38 H GLU 38 -5.017 18.765 2.830 308 HA GLU 38 HA GLU 38 -4.290 20.504 0.672 309 HB2 GLU 38 HB2 GLU 38 -6.507 18.505 1.194 310 HB3 GLU 38 HB3 GLU 38 -6.573 19.440 -0.231 311 HG2 GLU 38 HG2 GLU 38 -4.178 17.722 0.531 312 HG3 GLU 38 HG3 GLU 38 -5.481 17.232 -0.542 313 H ILE 39 H ILE 39 -7.169 20.597 2.845 314 HA ILE 39 HA ILE 39 -8.375 22.860 1.540 315 HB ILE 39 HB ILE 39 -9.574 23.216 3.665 316 HG12 ILE 39 HG12 ILE 39 -9.342 20.837 5.086 317 HG13 ILE 39 HG13 ILE 39 -7.674 21.248 4.735 318 HG21 ILE 39 HG21 ILE 39 -10.403 21.782 1.812 319 HG22 ILE 39 HG22 ILE 39 -9.536 20.411 2.550 320 HG23 ILE 39 HG23 ILE 39 -10.928 21.144 3.375 321 HD11 ILE 39 HD11 ILE 39 -8.335 22.162 6.895 322 HD12 ILE 39 HD12 ILE 39 -8.074 23.518 5.780 323 HD13 ILE 39 HD13 ILE 39 -9.724 22.985 6.163 324 H ASN 40 H ASN 40 -6.087 22.563 4.317 325 HA ASN 40 HA ASN 40 -5.960 25.460 4.485 326 HB2 ASN 40 HB2 ASN 40 -4.532 25.334 6.177 327 HB3 ASN 40 HB3 ASN 40 -5.329 23.772 6.319 328 HD21 ASN 40 HD21 ASN 40 -4.069 21.934 6.053 329 HD22 ASN 40 HD22 ASN 40 -2.322 22.009 5.831 330 H ASP 41 H ASP 41 -4.225 23.260 2.320 331 HA ASP 41 HA ASP 41 -2.245 25.248 1.595 332 HB2 ASP 41 HB2 ASP 41 -2.380 22.582 1.243 333 HB3 ASP 41 HB3 ASP 41 -3.068 23.059 -0.287 334 H ILE 42 H ILE 42 -5.582 24.654 0.712 335 HA ILE 42 HA ILE 42 -5.470 26.638 -1.512 336 HB ILE 42 HB ILE 42 -7.702 24.966 -0.346 337 HG12 ILE 42 HG12 ILE 42 -7.909 24.391 -2.825 338 HG13 ILE 42 HG13 ILE 42 -6.431 25.307 -3.114 339 HG21 ILE 42 HG21 ILE 42 -8.009 27.268 -2.328 340 HG22 ILE 42 HG22 ILE 42 -9.243 26.042 -1.981 341 HG23 ILE 42 HG23 ILE 42 -8.749 27.153 -0.713 342 HD11 ILE 42 HD11 ILE 42 -6.761 22.834 -1.386 343 HD12 ILE 42 HD12 ILE 42 -5.960 22.901 -2.966 344 HD13 ILE 42 HD13 ILE 42 -5.218 23.694 -1.578 345 H GLU 43 H GLU 43 -6.790 26.480 1.770 346 HA GLU 43 HA GLU 43 -7.942 29.061 1.810 347 HB2 GLU 43 HB2 GLU 43 -8.268 27.104 3.420 348 HB3 GLU 43 HB3 GLU 43 -6.798 27.589 4.224 349 HG2 GLU 43 HG2 GLU 43 -8.719 28.467 5.427 350 HG3 GLU 43 HG3 GLU 43 -7.761 29.785 4.778 351 H THR 44 H THR 44 -4.793 28.065 3.111 352 HA THR 44 HA THR 44 -3.943 30.946 3.258 353 HB THR 44 HB THR 44 -4.199 30.043 5.466 354 HG1 THR 44 HG1 THR 44 -2.167 30.584 6.193 355 HG21 THR 44 HG21 THR 44 -2.182 27.925 4.631 356 HG22 THR 44 HG22 THR 44 -3.827 27.692 5.265 357 HG23 THR 44 HG23 THR 44 -2.567 28.325 6.322 358 H GLY 45 H GLY 45 -2.825 27.642 2.334 359 HA2 GLY 45 HA2 GLY 45 -0.297 28.517 1.327 360 HA3 GLY 45 HA3 GLY 45 -1.162 27.065 0.833 361 H THR 46 H THR 46 -3.449 28.920 -0.067 362 HA THR 46 HA THR 46 -4.274 29.797 -1.923 363 HB THR 46 HB THR 46 -3.229 31.698 -3.043 364 HG1 THR 46 HG1 THR 46 -1.030 31.093 -2.784 365 HG21 THR 46 HG21 THR 46 -3.276 33.194 -1.130 366 HG22 THR 46 HG22 THR 46 -3.081 31.832 -0.008 367 HG23 THR 46 HG23 THR 46 -4.560 31.982 -0.983 368 H LYS 47 H LYS 47 -3.191 27.290 -2.256 369 HA LYS 47 HA LYS 47 -2.037 27.012 -4.933 370 HB2 LYS 47 HB2 LYS 47 -3.457 25.037 -3.070 371 HB3 LYS 47 HB3 LYS 47 -2.624 24.630 -4.549 372 HG2 LYS 47 HG2 LYS 47 -1.470 25.620 -1.931 373 HG3 LYS 47 HG3 LYS 47 -1.082 24.145 -2.775 374 HD2 LYS 47 HD2 LYS 47 -0.443 27.004 -3.634 375 HD3 LYS 47 HD3 LYS 47 0.707 25.940 -2.816 376 HE2 LYS 47 HE2 LYS 47 -0.517 25.359 -5.558 377 HE3 LYS 47 HE3 LYS 47 1.058 26.117 -5.306 378 HZ1 LYS 47 HZ1 LYS 47 1.784 24.107 -4.145 379 HZ2 LYS 47 HZ2 LYS 47 1.291 23.734 -5.654 380 HZ3 LYS 47 HZ3 LYS 47 0.335 23.388 -4.377 381 H ASN 48 H ASN 48 -4.801 27.941 -4.179 382 HA ASN 48 HA ASN 48 -6.887 26.656 -5.433 383 HB2 ASN 48 HB2 ASN 48 -7.120 28.684 -4.025 384 HB3 ASN 48 HB3 ASN 48 -6.516 29.676 -5.353 385 HD21 ASN 48 HD21 ASN 48 -8.127 30.612 -6.592 386 HD22 ASN 48 HD22 ASN 48 -9.737 29.931 -6.770 387 H VAL 49 H VAL 49 -7.596 26.166 -7.422 388 HA VAL 49 HA VAL 49 -6.768 27.712 -9.826 389 HB VAL 49 HB VAL 49 -6.434 25.780 -11.131 390 HG11 VAL 49 HG11 VAL 49 -4.419 24.853 -10.277 391 HG12 VAL 49 HG12 VAL 49 -4.498 26.550 -9.770 392 HG13 VAL 49 HG13 VAL 49 -4.861 25.249 -8.609 393 HG21 VAL 49 HG21 VAL 49 -6.412 23.450 -10.211 394 HG22 VAL 49 HG22 VAL 49 -7.190 24.073 -8.740 395 HG23 VAL 49 HG23 VAL 49 -8.013 24.167 -10.319 396 H ASP 50 H ASP 50 -8.247 26.104 -11.621 397 HA ASP 50 HA ASP 50 -10.985 26.884 -11.444 398 HB2 ASP 50 HB2 ASP 50 -9.415 26.170 -13.423 399 HB3 ASP 50 HB3 ASP 50 -9.834 24.529 -12.977 400 H GLY 51 H GLY 51 -12.731 24.910 -11.778 401 HA2 GLY 51 HA2 GLY 51 -13.401 23.852 -9.409 402 HA3 GLY 51 HA3 GLY 51 -13.896 23.120 -10.923 403 H THR 52 H THR 52 -10.781 22.465 -11.213 404 HA THR 52 HA THR 52 -10.742 19.762 -10.409 405 HB THR 52 HB THR 52 -8.502 21.828 -10.520 406 HG1 THR 52 HG1 THR 52 -9.341 19.884 -12.410 407 HG21 THR 52 HG21 THR 52 -8.402 18.791 -10.425 408 HG22 THR 52 HG22 THR 52 -7.698 19.941 -9.260 409 HG23 THR 52 HG23 THR 52 -7.029 19.840 -10.894 410 H THR 53 H THR 53 -9.277 22.546 -8.495 411 HA THR 53 HA THR 53 -8.864 20.817 -6.275 412 HB THR 53 HB THR 53 -7.553 22.831 -6.862 413 HG1 THR 53 HG1 THR 53 -7.062 23.166 -4.771 414 HG21 THR 53 HG21 THR 53 -8.167 24.997 -5.964 415 HG22 THR 53 HG22 THR 53 -9.725 24.396 -5.400 416 HG23 THR 53 HG23 THR 53 -9.390 24.508 -7.146 417 H TYR 54 H TYR 54 -11.481 23.096 -6.968 418 HA TYR 54 HA TYR 54 -13.026 22.976 -4.595 419 HB2 TYR 54 HB2 TYR 54 -13.873 22.883 -7.523 420 HB3 TYR 54 HB3 TYR 54 -15.001 23.001 -6.208 421 HD1 TYR 54 HD1 TYR 54 -12.064 24.831 -7.699 422 HD2 TYR 54 HD2 TYR 54 -15.628 25.047 -5.280 423 HE1 TYR 54 HE1 TYR 54 -11.894 27.309 -7.687 424 HE2 TYR 54 HE2 TYR 54 -15.465 27.542 -5.278 425 HH TYR 54 HH TYR 54 -12.837 29.280 -6.989 426 H LYS 55 H LYS 55 -13.258 20.803 -7.481 427 HA LYS 55 HA LYS 55 -14.926 18.975 -6.357 428 HB2 LYS 55 HB2 LYS 55 -14.570 19.420 -8.726 429 HB3 LYS 55 HB3 LYS 55 -12.994 18.735 -8.680 430 HG2 LYS 55 HG2 LYS 55 -14.401 16.797 -9.272 431 HG3 LYS 55 HG3 LYS 55 -14.436 16.643 -7.543 432 HD2 LYS 55 HD2 LYS 55 -16.392 18.460 -7.719 433 HD3 LYS 55 HD3 LYS 55 -16.508 17.864 -9.375 434 HE2 LYS 55 HE2 LYS 55 -16.710 15.511 -8.521 435 HE3 LYS 55 HE3 LYS 55 -16.689 16.128 -6.867 436 HZ1 LYS 55 HZ1 LYS 55 -18.738 17.370 -7.384 437 HZ2 LYS 55 HZ2 LYS 55 -18.964 15.775 -7.652 438 HZ3 LYS 55 HZ3 LYS 55 -18.749 16.787 -8.911 439 H LYS 56 H LYS 56 -11.334 18.718 -6.453 440 HA LYS 56 HA LYS 56 -11.053 16.268 -4.993 441 HB2 LYS 56 HB2 LYS 56 -9.309 18.675 -5.235 442 HB3 LYS 56 HB3 LYS 56 -8.971 17.435 -4.013 443 HG2 LYS 56 HG2 LYS 56 -7.790 16.604 -5.777 444 HG3 LYS 56 HG3 LYS 56 -9.319 15.761 -6.047 445 HD2 LYS 56 HD2 LYS 56 -9.979 17.368 -7.726 446 HD3 LYS 56 HD3 LYS 56 -8.483 18.315 -7.498 447 HE2 LYS 56 HE2 LYS 56 -8.547 15.367 -8.115 448 HE3 LYS 56 HE3 LYS 56 -8.628 16.572 -9.418 449 HZ1 LYS 56 HZ1 LYS 56 -6.440 17.395 -8.670 450 HZ2 LYS 56 HZ2 LYS 56 -6.355 15.807 -9.052 451 HZ3 LYS 56 HZ3 LYS 56 -6.381 16.252 -7.493 452 H LEU 57 H LEU 57 -11.464 19.538 -3.483 453 HA LEU 57 HA LEU 57 -11.500 18.262 -0.847 454 HB2 LEU 57 HB2 LEU 57 -11.699 21.086 -1.819 455 HB3 LEU 57 HB3 LEU 57 -11.922 20.680 -0.127 456 HG LEU 57 HG LEU 57 -9.722 21.380 -0.244 457 HD11 LEU 57 HD11 LEU 57 -10.210 19.037 0.792 458 HD12 LEU 57 HD12 LEU 57 -8.552 19.586 0.628 459 HD13 LEU 57 HD13 LEU 57 -9.212 18.413 -0.535 460 HD21 LEU 57 HD21 LEU 57 -7.979 20.618 -1.740 461 HD22 LEU 57 HD22 LEU 57 -9.289 21.402 -2.619 462 HD23 LEU 57 HD23 LEU 57 -9.137 19.630 -2.644 463 H VAL 58 H VAL 58 -14.057 19.332 -3.033 464 HA VAL 58 HA VAL 58 -16.067 18.889 -0.950 465 HB VAL 58 HB VAL 58 -16.242 20.541 -2.872 466 HG11 VAL 58 HG11 VAL 58 -16.998 19.911 -4.981 467 HG12 VAL 58 HG12 VAL 58 -15.748 18.720 -4.596 468 HG13 VAL 58 HG13 VAL 58 -17.442 18.258 -4.457 469 HG21 VAL 58 HG21 VAL 58 -18.606 18.713 -2.422 470 HG22 VAL 58 HG22 VAL 58 -18.098 20.037 -1.336 471 HG23 VAL 58 HG23 VAL 58 -18.649 20.397 -2.982 472 H THR 59 H THR 59 -14.445 16.886 -3.348 473 HA THR 59 HA THR 59 -16.397 14.729 -3.148 474 HB THR 59 HB THR 59 -14.833 15.085 -5.098 475 HG1 THR 59 HG1 THR 59 -16.053 13.297 -5.011 476 HG21 THR 59 HG21 THR 59 -12.765 13.525 -4.868 477 HG22 THR 59 HG22 THR 59 -12.824 13.959 -3.143 478 HG23 THR 59 HG23 THR 59 -12.702 15.207 -4.362 479 H LEU 60 H LEU 60 -13.437 15.633 -1.488 480 HA LEU 60 HA LEU 60 -12.932 13.475 0.207 481 HB2 LEU 60 HB2 LEU 60 -12.683 16.392 0.559 482 HB3 LEU 60 HB3 LEU 60 -12.876 15.507 2.061 483 HG LEU 60 HG LEU 60 -10.584 15.846 1.570 484 HD11 LEU 60 HD11 LEU 60 -11.213 13.704 2.746 485 HD12 LEU 60 HD12 LEU 60 -9.657 13.719 1.917 486 HD13 LEU 60 HD13 LEU 60 -11.039 12.870 1.182 487 HD21 LEU 60 HD21 LEU 60 -11.033 14.344 -0.988 488 HD22 LEU 60 HD22 LEU 60 -9.437 14.722 -0.256 489 HD23 LEU 60 HD23 LEU 60 -10.516 16.030 -0.735 490 H TYR 61 H TYR 61 -15.392 15.951 0.892 491 HA TYR 61 HA TYR 61 -16.540 14.346 3.062 492 HB2 TYR 61 HB2 TYR 61 -17.695 16.091 3.730 493 HB3 TYR 61 HB3 TYR 61 -16.721 17.009 2.576 494 HD1 TYR 61 HD1 TYR 61 -20.065 15.572 3.293 495 HD2 TYR 61 HD2 TYR 61 -17.757 17.821 0.448 496 HE1 TYR 61 HE1 TYR 61 -22.152 16.330 2.239 497 HE2 TYR 61 HE2 TYR 61 -19.883 18.531 -0.661 498 HH TYR 61 HH TYR 61 -23.095 17.540 0.532 499 H ASP 62 H ASP 62 -17.344 14.811 -0.308 500 HA ASP 62 HA ASP 62 -19.855 13.504 -0.417 501 HB2 ASP 62 HB2 ASP 62 -18.740 14.695 -2.336 502 HB3 ASP 62 HB3 ASP 62 -17.719 13.257 -2.537 503 H ARG 63 H ARG 63 -16.654 12.055 0.059 504 HA ARG 63 HA ARG 63 -17.981 9.333 0.108 505 HB2 ARG 63 HB2 ARG 63 -15.666 10.086 -1.130 506 HB3 ARG 63 HB3 ARG 63 -15.034 9.515 0.332 507 HG2 ARG 63 HG2 ARG 63 -14.939 7.518 -0.505 508 HG3 ARG 63 HG3 ARG 63 -16.655 7.389 -0.119 509 HD2 ARG 63 HD2 ARG 63 -15.516 8.603 -2.558 510 HD3 ARG 63 HD3 ARG 63 -15.898 6.855 -2.521 511 HE ARG 63 HE ARG 63 -18.263 7.389 -2.243 512 HH11 ARG 63 HH21 ARG 63 -16.441 10.026 -3.790 513 HH12 ARG 63 HH22 ARG 63 -17.924 10.979 -3.868 514 HH21 ARG 63 HH11 ARG 63 -20.041 8.696 -2.730 515 HH22 ARG 63 HH12 ARG 63 -19.722 10.266 -3.449 516 H PHE 64 H PHE 64 -15.850 11.419 2.024 517 HA PHE 64 HA PHE 64 -15.545 9.660 4.234 518 HB2 PHE 64 HB2 PHE 64 -14.098 11.531 3.976 519 HB3 PHE 64 HB3 PHE 64 -15.451 12.658 4.011 520 HD1 PHE 64 HD1 PHE 64 -13.276 10.440 6.051 521 HD2 PHE 64 HD2 PHE 64 -16.529 13.233 6.172 522 HE1 PHE 64 HE1 PHE 64 -13.086 10.563 8.532 523 HE2 PHE 64 HE2 PHE 64 -16.376 13.348 8.643 524 HZ PHE 64 HZ PHE 64 -14.667 11.973 9.831 525 H ARG 65 H ARG 65 -17.992 12.359 3.890 526 HA ARG 65 HA ARG 65 -19.157 11.926 6.508 527 HB2 ARG 65 HB2 ARG 65 -19.872 13.494 3.977 528 HB3 ARG 65 HB3 ARG 65 -20.864 13.555 5.339 529 HG2 ARG 65 HG2 ARG 65 -18.029 14.491 5.251 530 HG3 ARG 65 HG3 ARG 65 -19.460 15.525 5.318 531 HD2 ARG 65 HD2 ARG 65 -18.606 13.629 7.474 532 HD3 ARG 65 HD3 ARG 65 -18.306 15.361 7.499 533 HE ARG 65 HE ARG 65 -20.843 15.635 7.421 534 HH11 ARG 65 HH11 ARG 65 -19.499 12.778 8.941 535 HH12 ARG 65 HH12 ARG 65 -20.625 12.845 10.270 536 HH21 ARG 65 HH21 ARG 65 -22.387 15.517 9.030 537 HH22 ARG 65 HH22 ARG 65 -22.319 14.211 10.180 538 H PHE 66 H PHE 66 -19.905 11.027 3.325 539 HA PHE 66 HA PHE 66 -22.388 9.594 3.973 540 HB2 PHE 66 HB2 PHE 66 -20.860 9.951 1.388 541 HB3 PHE 66 HB3 PHE 66 -22.338 9.024 1.519 542 HD1 PHE 66 HD1 PHE 66 -24.487 10.158 2.289 543 HD2 PHE 66 HD2 PHE 66 -20.937 12.356 1.228 544 HE1 PHE 66 HE1 PHE 66 -25.854 12.207 1.954 545 HE2 PHE 66 HE2 PHE 66 -22.309 14.383 0.833 546 HZ PHE 66 HZ PHE 66 -24.768 14.322 1.219 547 H GLU 67 H GLU 67 -19.308 8.340 2.430 548 HA GLU 67 HA GLU 67 -20.565 5.657 2.605 549 HB2 GLU 67 HB2 GLU 67 -18.458 6.945 0.840 550 HB3 GLU 67 HB3 GLU 67 -18.730 5.217 0.850 551 HG2 GLU 67 HG2 GLU 67 -20.799 7.363 0.187 552 HG3 GLU 67 HG3 GLU 67 -19.912 6.406 -0.987 553 H ASN 68 H ASN 68 -17.534 7.164 3.444 554 HA ASN 68 HA ASN 68 -16.628 4.686 4.827 555 HB2 ASN 68 HB2 ASN 68 -14.878 6.618 3.265 556 HB3 ASN 68 HB3 ASN 68 -14.288 5.283 4.240 557 HD21 ASN 68 HD21 ASN 68 -15.475 6.169 1.154 558 HD22 ASN 68 HD22 ASN 68 -15.501 4.542 0.467 559 H1 GLY 1 H1 GLY 1 -12.647 9.323 34.660 560 H2 GLY 1 H2 GLY 1 -13.337 10.798 34.479 561 H3 GLY 1 H3 GLY 1 -12.103 10.347 33.500 562 HA2 GLY 1 HA2 GLY 1 -13.438 8.596 32.517 563 HA3 GLY 1 HA3 GLY 1 -14.779 9.107 33.558 564 H SER 2 H SER 2 -16.245 9.943 32.144 565 HA SER 2 HA SER 2 -15.711 11.325 29.738 566 HB2 SER 2 HB2 SER 2 -18.184 11.492 31.501 567 HB3 SER 2 HB3 SER 2 -18.087 11.901 29.777 568 HG SER 2 HG SER 2 -18.892 9.770 30.131 569 H HIS 3 H HIS 3 -16.273 13.537 29.146 570 HA HIS 3 HA HIS 3 -15.790 15.590 31.233 571 HB2 HIS 3 HB2 HIS 3 -13.635 14.686 30.059 572 HB3 HIS 3 HB3 HIS 3 -14.167 15.608 28.647 573 HD1 HIS 3 HD1 HIS 3 -13.472 16.247 32.451 574 HD2 HIS 3 HD2 HIS 3 -13.430 18.116 28.692 575 HE1 HIS 3 HE1 HIS 3 -12.534 18.588 32.832 576 H MET 4 H MET 4 -15.904 17.840 30.277 577 HA MET 4 HA MET 4 -18.247 18.247 28.549 578 HB2 MET 4 HB2 MET 4 -17.762 20.636 28.866 579 HB3 MET 4 HB3 MET 4 -17.884 19.777 30.400 580 HG2 MET 4 HG2 MET 4 -15.476 19.762 30.667 581 HG3 MET 4 HG3 MET 4 -15.233 20.427 29.048 582 HE1 MET 4 HE1 MET 4 -14.011 23.209 31.575 583 HE2 MET 4 HE2 MET 4 -13.987 21.459 31.887 584 HE3 MET 4 HE3 MET 4 -13.524 22.082 30.290 585 H ARG 5 H ARG 5 -18.045 19.761 26.630 586 HA ARG 5 HA ARG 5 -15.479 19.606 25.151 587 HB2 ARG 5 HB2 ARG 5 -17.110 17.600 24.694 588 HB3 ARG 5 HB3 ARG 5 -18.029 18.754 23.749 589 HG2 ARG 5 HG2 ARG 5 -15.853 19.224 22.460 590 HG3 ARG 5 HG3 ARG 5 -15.128 17.959 23.342 591 HD2 ARG 5 HD2 ARG 5 -15.692 17.152 21.205 592 HD3 ARG 5 HD3 ARG 5 -16.522 16.258 22.456 593 HE ARG 5 HE ARG 5 -18.010 18.512 21.159 594 HH11 ARG 5 HH12 ARG 5 -17.594 15.038 21.262 595 HH12 ARG 5 HH11 ARG 5 -19.172 14.748 20.583 596 HH21 ARG 5 HH21 ARG 5 -19.898 18.104 20.208 597 HH22 ARG 5 HH22 ARG 5 -20.486 16.465 20.039 598 H MET 6 H MET 6 -15.326 21.028 23.367 599 HA MET 6 HA MET 6 -17.618 22.858 22.890 600 HB2 MET 6 HB2 MET 6 -14.703 23.651 22.796 601 HB3 MET 6 HB3 MET 6 -16.116 24.699 22.575 602 HG2 MET 6 HG2 MET 6 -15.400 23.238 25.145 603 HG3 MET 6 HG3 MET 6 -14.967 24.915 24.801 604 HE1 MET 6 HE1 MET 6 -16.545 23.792 27.407 605 HE2 MET 6 HE2 MET 6 -16.004 25.475 27.200 606 HE3 MET 6 HE3 MET 6 -17.689 25.130 27.646 607 H SER 7 H SER 7 -18.137 21.292 21.327 608 HA SER 7 HA SER 7 -17.096 20.178 19.310 609 HB2 SER 7 HB2 SER 7 -19.566 21.896 18.990 610 HB3 SER 7 HB3 SER 7 -19.138 20.510 17.961 611 HG SER 7 HG SER 7 -20.576 20.224 19.936 612 H LEU 8 H LEU 8 -17.675 23.806 18.415 613 HA LEU 8 HA LEU 8 -14.799 23.593 18.171 614 HB2 LEU 8 HB2 LEU 8 -14.846 24.973 16.049 615 HB3 LEU 8 HB3 LEU 8 -14.841 23.249 15.950 616 HG LEU 8 HG LEU 8 -16.174 24.729 14.320 617 HD11 LEU 8 HD11 LEU 8 -17.497 22.249 15.351 618 HD12 LEU 8 HD12 LEU 8 -16.126 22.356 14.205 619 HD13 LEU 8 HD13 LEU 8 -17.693 23.026 13.761 620 HD21 LEU 8 HD21 LEU 8 -17.567 25.973 15.947 621 HD22 LEU 8 HD22 LEU 8 -18.394 24.453 16.366 622 HD23 LEU 8 HD23 LEU 8 -18.504 25.107 14.726 623 H ILE 9 H ILE 9 -13.713 25.316 18.833 624 HA ILE 9 HA ILE 9 -15.149 27.766 19.578 625 HB ILE 9 HB ILE 9 -12.239 27.185 20.138 626 HG12 ILE 9 HG12 ILE 9 -14.550 25.899 21.606 627 HG13 ILE 9 HG13 ILE 9 -13.351 25.053 20.678 628 HG21 ILE 9 HG21 ILE 9 -12.671 28.483 22.158 629 HG22 ILE 9 HG22 ILE 9 -13.261 29.384 20.767 630 HG23 ILE 9 HG23 ILE 9 -14.411 28.518 21.806 631 HD11 ILE 9 HD11 ILE 9 -12.858 26.454 23.292 632 HD12 ILE 9 HD12 ILE 9 -12.656 24.742 22.852 633 HD13 ILE 9 HD13 ILE 9 -11.563 25.949 22.167 634 H GLY 10 H GLY 10 -12.381 26.808 17.589 635 HA2 GLY 10 HA2 GLY 10 -11.690 28.169 15.590 636 HA3 GLY 10 HA3 GLY 10 -12.169 29.600 16.452 637 H GLU 11 H GLU 11 -10.615 27.603 18.701 638 HA GLU 11 HA GLU 11 -7.836 28.112 17.839 639 HB2 GLU 11 HB2 GLU 11 -7.370 28.643 20.348 640 HB3 GLU 11 HB3 GLU 11 -7.756 29.932 19.188 641 HG2 GLU 11 HG2 GLU 11 -10.118 29.926 20.055 642 HG3 GLU 11 HG3 GLU 11 -9.642 28.724 21.257 643 H ARG 12 H ARG 12 -9.541 26.938 20.747 644 HA ARG 12 HA ARG 12 -9.375 25.042 21.967 645 HB2 ARG 12 HB2 ARG 12 -8.841 23.262 19.690 646 HB3 ARG 12 HB3 ARG 12 -9.863 23.149 21.102 647 HG2 ARG 12 HG2 ARG 12 -11.530 23.372 19.717 648 HG3 ARG 12 HG3 ARG 12 -11.268 25.074 19.914 649 HD2 ARG 12 HD2 ARG 12 -11.532 24.548 17.539 650 HD3 ARG 12 HD3 ARG 12 -9.891 25.101 17.810 651 HE ARG 12 HE ARG 12 -10.759 22.265 17.368 652 HH11 ARG 12 HH21 ARG 12 -8.082 24.571 17.265 653 HH12 ARG 12 HH22 ARG 12 -7.311 23.654 16.019 654 HH21 ARG 12 HH11 ARG 12 -9.435 20.990 16.102 655 HH22 ARG 12 HH12 ARG 12 -7.895 21.611 15.594 656 H PHE 13 H PHE 13 -6.986 26.498 21.781 657 HA PHE 13 HA PHE 13 -4.597 24.906 21.488 658 HB2 PHE 13 HB2 PHE 13 -5.234 27.390 23.129 659 HB3 PHE 13 HB3 PHE 13 -3.634 26.785 22.794 660 HD1 PHE 13 HD2 PHE 13 -4.797 26.163 19.666 661 HD2 PHE 13 HD1 PHE 13 -4.378 29.571 22.288 662 HE1 PHE 13 HE2 PHE 13 -4.776 27.663 17.714 663 HE2 PHE 13 HE1 PHE 13 -4.343 31.072 20.312 664 HZ PHE 13 HZ PHE 13 -4.547 30.122 18.020 665 H THR 14 H THR 14 -3.128 24.484 23.452 666 HA THR 14 HA THR 14 -3.896 22.426 24.927 667 HB THR 14 HB THR 14 -1.637 23.262 24.789 668 HG1 THR 14 HG1 THR 14 -1.010 22.540 26.802 669 HG21 THR 14 HG21 THR 14 -2.041 25.665 25.461 670 HG22 THR 14 HG22 THR 14 -0.692 24.876 26.289 671 HG23 THR 14 HG23 THR 14 -2.230 25.101 27.139 672 H GLU 15 H GLU 15 -4.470 25.712 26.389 673 HA GLU 15 HA GLU 15 -5.776 24.567 28.727 674 HB2 GLU 15 HB2 GLU 15 -5.764 27.403 27.622 675 HB3 GLU 15 HB3 GLU 15 -6.436 26.916 29.183 676 HG2 GLU 15 HG2 GLU 15 -4.177 26.056 29.856 677 HG3 GLU 15 HG3 GLU 15 -3.516 26.691 28.348 678 H GLU 16 H GLU 16 -6.931 25.670 25.633 679 HA GLU 16 HA GLU 16 -9.809 25.303 26.298 680 HB2 GLU 16 HB2 GLU 16 -8.523 26.303 23.732 681 HB3 GLU 16 HB3 GLU 16 -10.234 26.316 24.120 682 HG2 GLU 16 HG2 GLU 16 -8.054 27.979 25.435 683 HG3 GLU 16 HG3 GLU 16 -9.324 28.538 24.356 684 H GLU 17 H GLU 17 -7.356 23.341 25.374 685 HA GLU 17 HA GLU 17 -8.289 21.827 23.269 686 HB2 GLU 17 HB2 GLU 17 -6.029 21.841 24.340 687 HB3 GLU 17 HB3 GLU 17 -6.661 20.795 25.620 688 HG2 GLU 17 HG2 GLU 17 -7.111 19.022 23.913 689 HG3 GLU 17 HG3 GLU 17 -6.567 20.135 22.652 690 H GLN 18 H GLN 18 -9.579 21.681 26.347 691 HA GLN 18 HA GLN 18 -10.521 19.277 26.925 692 HB2 GLN 18 HB2 GLN 18 -12.446 19.869 27.984 693 HB3 GLN 18 HB3 GLN 18 -11.297 21.144 28.224 694 HG2 GLN 18 HG2 GLN 18 -13.713 21.123 26.354 695 HG3 GLN 18 HG3 GLN 18 -13.543 21.934 27.933 696 HE21 GLN 18 HE22 GLN 18 -13.307 22.458 24.601 697 HE22 GLN 18 HE21 GLN 18 -12.092 23.740 24.620 698 H LYS 19 H LYS 19 -11.795 21.024 24.233 699 HA LYS 19 HA LYS 19 -13.683 19.309 23.048 700 HB2 LYS 19 HB2 LYS 19 -13.221 21.487 22.158 701 HB3 LYS 19 HB3 LYS 19 -11.542 21.161 22.093 702 HG2 LYS 19 HG2 LYS 19 -12.744 21.338 19.922 703 HG3 LYS 19 HG3 LYS 19 -11.554 20.070 20.218 704 HD2 LYS 19 HD2 LYS 19 -12.853 18.530 19.543 705 HD3 LYS 19 HD3 LYS 19 -14.052 18.890 20.802 706 HE2 LYS 19 HE2 LYS 19 -15.217 19.015 18.729 707 HE3 LYS 19 HE3 LYS 19 -14.947 20.671 19.272 708 HZ1 LYS 19 HZ1 LYS 19 -13.384 19.279 17.148 709 HZ2 LYS 19 HZ2 LYS 19 -13.073 20.802 17.695 710 HZ3 LYS 19 HZ3 LYS 19 -14.492 20.478 16.961 711 H LEU 20 H LEU 20 -10.193 19.227 22.398 712 HA LEU 20 HA LEU 20 -10.312 16.878 20.669 713 HB2 LEU 20 HB2 LEU 20 -7.981 18.464 21.847 714 HB3 LEU 20 HB3 LEU 20 -7.853 17.309 20.578 715 HG LEU 20 HG LEU 20 -7.660 19.160 19.407 716 HD11 LEU 20 HD11 LEU 20 -9.283 17.819 18.288 717 HD12 LEU 20 HD12 LEU 20 -9.723 19.522 18.081 718 HD13 LEU 20 HD13 LEU 20 -10.627 18.489 19.202 719 HD21 LEU 20 HD21 LEU 20 -9.088 21.160 19.713 720 HD22 LEU 20 HD22 LEU 20 -7.962 20.774 21.029 721 HD23 LEU 20 HD23 LEU 20 -9.679 20.485 21.243 722 H LEU 21 H LEU 21 -9.449 17.700 23.865 723 HA LEU 21 HA LEU 21 -8.357 15.370 25.086 724 HB2 LEU 21 HB2 LEU 21 -8.315 17.482 26.157 725 HB3 LEU 21 HB3 LEU 21 -9.993 17.739 25.813 726 HG LEU 21 HG LEU 21 -9.558 17.648 28.158 727 HD11 LEU 21 HD11 LEU 21 -11.254 15.199 27.623 728 HD12 LEU 21 HD12 LEU 21 -11.826 16.874 27.446 729 HD13 LEU 21 HD13 LEU 21 -11.249 16.277 29.006 730 HD21 LEU 21 HD21 LEU 21 -7.726 15.959 28.044 731 HD22 LEU 21 HD22 LEU 21 -8.980 14.697 27.764 732 HD23 LEU 21 HD23 LEU 21 -8.944 15.628 29.293 733 H LEU 22 H LEU 22 -11.886 16.408 24.661 734 HA LEU 22 HA LEU 22 -12.593 13.935 26.051 735 HB2 LEU 22 HB2 LEU 22 -14.147 15.834 26.164 736 HB3 LEU 22 HB3 LEU 22 -14.331 15.839 24.408 737 HG LEU 22 HG LEU 22 -15.381 13.569 24.498 738 HD11 LEU 22 HD11 LEU 22 -14.367 12.664 26.544 739 HD12 LEU 22 HD12 LEU 22 -16.124 12.656 26.678 740 HD13 LEU 22 HD13 LEU 22 -15.178 13.915 27.506 741 HD21 LEU 22 HD21 LEU 22 -17.490 14.251 25.668 742 HD22 LEU 22 HD22 LEU 22 -16.880 15.391 24.473 743 HD23 LEU 22 HD23 LEU 22 -16.641 15.719 26.205 744 H ASN 23 H ASN 23 -12.491 15.088 22.788 745 HA ASN 23 HA ASN 23 -13.561 12.893 21.351 746 HB2 ASN 23 HB2 ASN 23 -11.794 15.305 20.798 747 HB3 ASN 23 HB3 ASN 23 -12.130 14.215 19.548 748 HD21 ASN 23 HD21 ASN 23 -12.939 16.726 19.304 749 HD22 ASN 23 HD22 ASN 23 -14.683 16.830 19.432 750 H ILE 24 H ILE 24 -10.280 13.292 22.573 751 HA ILE 24 HA ILE 24 -9.475 10.733 21.262 752 HB ILE 24 HB ILE 24 -7.328 10.986 22.232 753 HG12 ILE 24 HG12 ILE 24 -8.498 13.272 23.795 754 HG13 ILE 24 HG13 ILE 24 -7.713 11.842 24.379 755 HG21 ILE 24 HG21 ILE 24 -6.532 12.860 20.948 756 HG22 ILE 24 HG22 ILE 24 -7.843 12.056 20.085 757 HG23 ILE 24 HG23 ILE 24 -8.146 13.588 20.912 758 HD11 ILE 24 HD11 ILE 24 -5.538 12.655 23.421 759 HD12 ILE 24 HD12 ILE 24 -6.357 14.174 22.971 760 HD13 ILE 24 HD13 ILE 24 -6.222 13.712 24.675 761 H LEU 25 H LEU 25 -10.554 11.846 24.450 762 HA LEU 25 HA LEU 25 -9.818 9.495 25.881 763 HB2 LEU 25 HB2 LEU 25 -10.250 11.665 26.842 764 HB3 LEU 25 HB3 LEU 25 -11.921 11.643 26.333 765 HG LEU 25 HG LEU 25 -11.509 11.306 28.754 766 HD11 LEU 25 HD11 LEU 25 -13.636 10.582 27.680 767 HD12 LEU 25 HD12 LEU 25 -13.210 9.687 29.144 768 HD13 LEU 25 HD13 LEU 25 -12.984 8.933 27.568 769 HD21 LEU 25 HD21 LEU 25 -10.784 9.176 29.637 770 HD22 LEU 25 HD22 LEU 25 -9.516 9.853 28.599 771 HD23 LEU 25 HD23 LEU 25 -10.539 8.524 28.006 772 H ILE 26 H ILE 26 -12.760 10.325 24.040 773 HA ILE 26 HA ILE 26 -14.130 7.836 24.654 774 HB ILE 26 HB ILE 26 -15.838 8.541 23.150 775 HG12 ILE 26 HG12 ILE 26 -14.184 10.950 22.318 776 HG13 ILE 26 HG13 ILE 26 -14.248 9.476 21.358 777 HG21 ILE 26 HG21 ILE 26 -16.528 10.589 24.251 778 HG22 ILE 26 HG22 ILE 26 -15.742 9.510 25.407 779 HG23 ILE 26 HG23 ILE 26 -14.865 10.912 24.777 780 HD11 ILE 26 HD11 ILE 26 -16.705 9.660 21.195 781 HD12 ILE 26 HD12 ILE 26 -16.636 11.221 22.055 782 HD13 ILE 26 HD13 ILE 26 -15.850 11.044 20.479 783 H ASN 27 H ASN 27 -15.191 6.775 22.546 784 HA ASN 27 HA ASN 27 -13.256 4.895 21.808 785 HB2 ASN 27 HB2 ASN 27 -14.969 3.765 20.725 786 HB3 ASN 27 HB3 ASN 27 -15.795 4.605 22.032 787 HD21 ASN 27 HD21 ASN 27 -16.935 6.786 21.251 788 HD22 ASN 27 HD22 ASN 27 -17.483 6.786 19.583 789 H HIS 28 H HIS 28 -14.364 7.632 19.894 790 HA HIS 28 HA HIS 28 -12.359 7.013 17.774 791 HB2 HIS 28 HB2 HIS 28 -14.030 7.723 16.078 792 HB3 HIS 28 HB3 HIS 28 -14.438 6.235 16.918 793 HD1 HIS 28 HD1 HIS 28 -15.302 9.704 18.383 794 HD2 HIS 28 HD2 HIS 28 -17.053 6.332 16.589 795 HE1 HIS 28 HE1 HIS 28 -17.837 9.998 18.628 796 H GLU 29 H GLU 29 -11.321 8.649 16.785 797 HA GLU 29 HA GLU 29 -10.971 11.115 18.172 798 HB2 GLU 29 HB2 GLU 29 -9.944 10.173 15.465 799 HB3 GLU 29 HB3 GLU 29 -9.435 11.636 16.298 800 HG2 GLU 29 HG2 GLU 29 -7.770 10.031 16.735 801 HG3 GLU 29 HG3 GLU 29 -8.657 10.288 18.233 802 H TYR 30 H TYR 30 -13.072 11.967 18.207 803 HA TYR 30 HA TYR 30 -14.698 12.201 15.985 804 HB2 TYR 30 HB2 TYR 30 -15.365 12.012 18.354 805 HB3 TYR 30 HB3 TYR 30 -14.812 13.669 18.615 806 HD1 TYR 30 HD2 TYR 30 -17.106 11.765 16.280 807 HD2 TYR 30 HD1 TYR 30 -16.435 15.356 18.579 808 HE1 TYR 30 HE2 TYR 30 -19.334 12.630 15.596 809 HE2 TYR 30 HE1 TYR 30 -18.650 16.205 17.913 810 HH TYR 30 HH TYR 30 -20.606 15.778 16.748 811 H ALA 31 H ALA 31 -12.528 14.800 17.147 812 HA ALA 31 HA ALA 31 -13.704 17.042 16.141 813 HB1 ALA 31 HB1 ALA 31 -11.600 16.977 17.415 814 HB2 ALA 31 HB2 ALA 31 -10.757 16.286 15.998 815 HB3 ALA 31 HB3 ALA 31 -11.401 17.930 15.921 816 H ILE 32 H ILE 32 -11.756 14.715 14.281 817 HA ILE 32 HA ILE 32 -11.600 15.924 11.815 818 HB ILE 32 HB ILE 32 -11.818 13.076 12.754 819 HG12 ILE 32 HG12 ILE 32 -9.472 12.888 11.952 820 HG13 ILE 32 HG13 ILE 32 -9.518 14.582 11.464 821 HG21 ILE 32 HG21 ILE 32 -11.086 12.283 10.515 822 HG22 ILE 32 HG22 ILE 32 -12.712 12.934 10.487 823 HG23 ILE 32 HG23 ILE 32 -11.371 13.940 9.892 824 HD11 ILE 32 HD11 ILE 32 -9.606 15.278 13.788 825 HD12 ILE 32 HD12 ILE 32 -9.975 13.612 14.322 826 HD13 ILE 32 HD13 ILE 32 -8.374 14.002 13.686 827 H GLU 33 H GLU 33 -14.337 13.965 13.032 828 HA GLU 33 HA GLU 33 -15.867 13.992 10.638 829 HB2 GLU 33 HB2 GLU 33 -16.336 12.603 12.674 830 HB3 GLU 33 HB3 GLU 33 -17.087 14.041 13.414 831 HG2 GLU 33 HG2 GLU 33 -18.645 14.209 11.501 832 HG3 GLU 33 HG3 GLU 33 -17.865 12.831 10.723 833 H LEU 34 H LEU 34 -15.744 16.394 13.276 834 HA LEU 34 HA LEU 34 -17.576 18.237 12.088 835 HB2 LEU 34 HB2 LEU 34 -15.390 18.375 14.205 836 HB3 LEU 34 HB3 LEU 34 -16.116 19.847 13.612 837 HG LEU 34 HG LEU 34 -17.046 18.975 15.713 838 HD11 LEU 34 HD11 LEU 34 -19.376 19.453 15.211 839 HD12 LEU 34 HD12 LEU 34 -19.158 19.011 13.507 840 HD13 LEU 34 HD13 LEU 34 -18.382 20.465 14.152 841 HD21 LEU 34 HD21 LEU 34 -18.336 16.772 14.097 842 HD22 LEU 34 HD22 LEU 34 -18.640 17.194 15.782 843 HD23 LEU 34 HD23 LEU 34 -17.039 16.578 15.309 844 H LEU 35 H LEU 35 -14.038 17.734 11.633 845 HA LEU 35 HA LEU 35 -13.556 20.110 10.134 846 HB2 LEU 35 HB2 LEU 35 -11.871 18.412 11.041 847 HB3 LEU 35 HB3 LEU 35 -12.230 17.375 9.682 848 HG LEU 35 HG LEU 35 -11.155 20.198 9.362 849 HD11 LEU 35 HD11 LEU 35 -8.980 19.171 9.041 850 HD12 LEU 35 HD12 LEU 35 -9.648 17.542 9.299 851 HD13 LEU 35 HD13 LEU 35 -9.573 18.705 10.633 852 HD21 LEU 35 HD21 LEU 35 -10.368 19.321 7.157 853 HD22 LEU 35 HD22 LEU 35 -12.117 19.378 7.272 854 HD23 LEU 35 HD23 LEU 35 -11.281 17.824 7.466 855 H SER 36 H SER 36 -14.330 16.788 8.770 856 HA SER 36 HA SER 36 -14.567 17.678 6.113 857 HB2 SER 36 HB2 SER 36 -16.005 15.396 7.458 858 HB3 SER 36 HB3 SER 36 -15.718 15.580 5.709 859 HG SER 36 HG SER 36 -14.164 14.239 6.931 860 H SER 37 H SER 37 -16.999 17.538 8.705 861 HA SER 37 HA SER 37 -19.244 18.165 7.105 862 HB2 SER 37 HB2 SER 37 -19.279 17.289 9.452 863 HB3 SER 37 HB3 SER 37 -18.864 18.919 10.024 864 HG SER 37 HG SER 37 -21.137 18.571 9.998 865 H GLU 38 H GLU 38 -16.985 20.161 8.987 866 HA GLU 38 HA GLU 38 -18.123 22.753 8.472 867 HB2 GLU 38 HB2 GLU 38 -15.526 21.744 9.634 868 HB3 GLU 38 HB3 GLU 38 -15.541 23.369 9.117 869 HG2 GLU 38 HG2 GLU 38 -17.492 22.154 11.115 870 HG3 GLU 38 HG3 GLU 38 -16.116 23.190 11.499 871 H ILE 39 H ILE 39 -15.312 21.114 6.908 872 HA ILE 39 HA ILE 39 -14.719 23.309 5.171 873 HB ILE 39 HB ILE 39 -13.590 21.669 3.746 874 HG12 ILE 39 HG12 ILE 39 -13.301 19.358 5.213 875 HG13 ILE 39 HG13 ILE 39 -15.007 19.704 5.403 876 HG21 ILE 39 HG21 ILE 39 -13.029 21.563 6.736 877 HG22 ILE 39 HG22 ILE 39 -11.857 21.110 5.478 878 HG23 ILE 39 HG23 ILE 39 -12.451 22.775 5.578 879 HD11 ILE 39 HD11 ILE 39 -14.535 18.208 3.472 880 HD12 ILE 39 HD12 ILE 39 -15.244 19.728 2.897 881 HD13 ILE 39 HD13 ILE 39 -13.500 19.461 2.757 882 H ASN 40 H ASN 40 -16.857 20.455 4.707 883 HA ASN 40 HA ASN 40 -17.698 21.549 2.153 884 HB2 ASN 40 HB2 ASN 40 -19.100 19.866 1.852 885 HB3 ASN 40 HB3 ASN 40 -17.927 19.131 2.940 886 HD21 ASN 40 HD21 ASN 40 -18.676 18.402 4.922 887 HD22 ASN 40 HD22 ASN 40 -20.376 18.462 5.376 888 H ASP 41 H ASP 41 -18.769 22.379 5.392 889 HA ASP 41 HA ASP 41 -21.172 23.812 4.650 890 HB2 ASP 41 HB2 ASP 41 -20.034 23.066 6.983 891 HB3 ASP 41 HB3 ASP 41 -19.454 24.707 6.912 892 H ILE 42 H ILE 42 -17.707 24.668 4.551 893 HA ILE 42 HA ILE 42 -18.337 27.380 3.524 894 HB ILE 42 HB ILE 42 -15.679 25.921 3.686 895 HG12 ILE 42 HG12 ILE 42 -15.151 27.819 5.290 896 HG13 ILE 42 HG13 ILE 42 -16.859 28.264 5.273 897 HG21 ILE 42 HG21 ILE 42 -15.603 27.450 1.767 898 HG22 ILE 42 HG22 ILE 42 -16.292 28.762 2.752 899 HG23 ILE 42 HG23 ILE 42 -14.670 28.122 3.092 900 HD11 ILE 42 HD11 ILE 42 -16.028 26.803 7.217 901 HD12 ILE 42 HD12 ILE 42 -17.457 26.180 6.358 902 HD13 ILE 42 HD13 ILE 42 -15.841 25.513 6.031 903 H GLU 43 H GLU 43 -16.987 24.383 2.095 904 HA GLU 43 HA GLU 43 -16.527 25.441 -0.455 905 HB2 GLU 43 HB2 GLU 43 -15.755 23.240 0.733 906 HB3 GLU 43 HB3 GLU 43 -17.194 22.517 0.056 907 HG2 GLU 43 HG2 GLU 43 -15.330 22.016 -1.362 908 HG3 GLU 43 HG3 GLU 43 -16.392 23.116 -2.237 909 H THR 44 H THR 44 -19.340 23.671 0.692 910 HA THR 44 HA THR 44 -20.884 24.534 -1.743 911 HB THR 44 HB THR 44 -20.344 22.176 -1.911 912 HG1 THR 44 HG1 THR 44 -22.434 21.485 -2.277 913 HG21 THR 44 HG21 THR 44 -20.185 21.444 0.374 914 HG22 THR 44 HG22 THR 44 -21.482 20.533 -0.404 915 HG23 THR 44 HG23 THR 44 -21.878 21.869 0.701 916 H GLY 45 H GLY 45 -21.089 23.968 1.813 917 HA2 GLY 45 HA2 GLY 45 -23.842 24.694 2.034 918 HA3 GLY 45 HA3 GLY 45 -22.631 24.801 3.313 919 H THR 46 H THR 46 -21.017 26.694 1.628 920 HA THR 46 HA THR 46 -20.596 28.869 1.484 921 HB THR 46 HB THR 46 -22.157 30.423 0.401 922 HG1 THR 46 HG1 THR 46 -24.118 29.441 1.128 923 HG21 THR 46 HG21 THR 46 -22.150 29.311 -1.766 924 HG22 THR 46 HG22 THR 46 -21.890 27.732 -0.994 925 HG23 THR 46 HG23 THR 46 -20.635 28.987 -0.905 926 H LYS 47 H LYS 47 -20.886 28.085 3.925 927 HA LYS 47 HA LYS 47 -22.299 29.193 5.925 928 HB2 LYS 47 HB2 LYS 47 -19.321 28.842 5.454 929 HB3 LYS 47 HB3 LYS 47 -19.829 29.683 6.918 930 HG2 LYS 47 HG2 LYS 47 -21.013 27.013 6.167 931 HG3 LYS 47 HG3 LYS 47 -19.519 27.145 7.109 932 HD2 LYS 47 HD2 LYS 47 -21.738 28.888 7.974 933 HD3 LYS 47 HD3 LYS 47 -22.136 27.185 8.106 934 HE2 LYS 47 HE2 LYS 47 -19.724 28.542 9.405 935 HE3 LYS 47 HE3 LYS 47 -21.249 28.108 10.192 936 HZ1 LYS 47 HZ1 LYS 47 -19.127 26.283 9.225 937 HZ2 LYS 47 HZ2 LYS 47 -20.675 25.742 9.347 938 HZ3 LYS 47 HZ3 LYS 47 -19.849 26.282 10.657 939 H ASN 48 H ASN 48 -19.624 30.980 4.681 940 HA ASN 48 HA ASN 48 -19.085 33.182 4.334 941 HB2 ASN 48 HB2 ASN 48 -22.017 33.308 3.564 942 HB3 ASN 48 HB3 ASN 48 -20.807 34.523 3.172 943 HD21 ASN 48 HD21 ASN 48 -21.896 33.833 1.002 944 HD22 ASN 48 HD22 ASN 48 -20.973 32.630 0.113 945 H VAL 49 H VAL 49 -18.532 33.509 6.505 946 HA VAL 49 HA VAL 49 -19.950 35.778 7.743 947 HB VAL 49 HB VAL 49 -20.919 34.062 9.032 948 HG11 VAL 49 HG11 VAL 49 -19.606 32.315 10.232 949 HG12 VAL 49 HG12 VAL 49 -19.562 32.140 8.478 950 HG13 VAL 49 HG13 VAL 49 -18.164 32.851 9.328 951 HG21 VAL 49 HG21 VAL 49 -19.999 35.921 10.410 952 HG22 VAL 49 HG22 VAL 49 -20.042 34.377 11.296 953 HG23 VAL 49 HG23 VAL 49 -18.509 34.981 10.649 954 H ASP 50 H ASP 50 -18.613 36.894 9.287 955 HA ASP 50 HA ASP 50 -16.267 37.646 7.921 956 HB2 ASP 50 HB2 ASP 50 -18.019 39.134 8.913 957 HB3 ASP 50 HB3 ASP 50 -17.395 38.660 10.502 958 H GLY 51 H GLY 51 -15.367 35.523 8.474 959 HA2 GLY 51 HA2 GLY 51 -13.165 34.699 8.956 960 HA3 GLY 51 HA3 GLY 51 -12.989 35.776 10.317 961 H THR 52 H THR 52 -15.943 34.728 11.023 962 HA THR 52 HA THR 52 -15.071 33.005 13.126 963 HB THR 52 HB THR 52 -17.787 33.371 11.828 964 HG1 THR 52 HG1 THR 52 -16.888 35.133 13.015 965 HG21 THR 52 HG21 THR 52 -17.171 31.920 14.408 966 HG22 THR 52 HG22 THR 52 -17.811 31.174 12.923 967 HG23 THR 52 HG23 THR 52 -18.787 32.363 13.797 968 H THR 53 H THR 53 -16.925 31.977 10.181 969 HA THR 53 HA THR 53 -16.382 29.238 10.580 970 HB THR 53 HB THR 53 -18.206 30.325 9.231 971 HG1 THR 53 HG1 THR 53 -16.740 28.208 8.120 972 HG21 THR 53 HG21 THR 53 -16.213 30.346 6.925 973 HG22 THR 53 HG22 THR 53 -16.763 31.810 7.777 974 HG23 THR 53 HG23 THR 53 -17.914 30.819 6.888 975 H TYR 54 H TYR 54 -14.533 31.636 8.773 976 HA TYR 54 HA TYR 54 -12.603 30.004 7.451 977 HB2 TYR 54 HB2 TYR 54 -12.392 32.727 8.821 978 HB3 TYR 54 HB3 TYR 54 -11.082 32.007 7.937 979 HD1 TYR 54 HD1 TYR 54 -14.561 33.338 7.517 980 HD2 TYR 54 HD2 TYR 54 -10.949 31.996 5.577 981 HE1 TYR 54 HE1 TYR 54 -15.390 34.252 5.360 982 HE2 TYR 54 HE2 TYR 54 -11.786 32.907 3.405 983 HH TYR 54 HH TYR 54 -14.960 34.559 3.129 984 H LYS 55 H LYS 55 -12.410 31.604 10.679 985 HA LYS 55 HA LYS 55 -10.142 30.363 11.534 986 HB2 LYS 55 HB2 LYS 55 -11.107 32.465 12.307 987 HB3 LYS 55 HB3 LYS 55 -12.406 31.651 13.084 988 HG2 LYS 55 HG2 LYS 55 -10.715 31.802 14.868 989 HG3 LYS 55 HG3 LYS 55 -10.271 30.261 14.177 990 HD2 LYS 55 HD2 LYS 55 -8.922 31.769 12.430 991 HD3 LYS 55 HD3 LYS 55 -9.021 32.975 13.710 992 HE2 LYS 55 HE2 LYS 55 -8.048 31.332 15.342 993 HE3 LYS 55 HE3 LYS 55 -7.867 30.165 14.030 994 HZ1 LYS 55 HZ1 LYS 55 -5.801 31.392 14.412 995 HZ2 LYS 55 HZ2 LYS 55 -6.534 32.825 14.152 996 HZ3 LYS 55 HZ3 LYS 55 -6.365 31.759 12.924 997 H LYS 56 H LYS 56 -13.496 29.220 12.175 998 HA LYS 56 HA LYS 56 -12.723 26.865 13.586 999 HB2 LYS 56 HB2 LYS 56 -15.140 27.394 11.857 1000 HB3 LYS 56 HB3 LYS 56 -14.850 25.812 12.597 1001 HG2 LYS 56 HG2 LYS 56 -16.245 26.884 14.083 1002 HG3 LYS 56 HG3 LYS 56 -14.638 26.940 14.839 1003 HD2 LYS 56 HD2 LYS 56 -14.486 29.327 14.293 1004 HD3 LYS 56 HD3 LYS 56 -16.075 29.247 13.490 1005 HE2 LYS 56 HE2 LYS 56 -17.259 28.872 15.438 1006 HE3 LYS 56 HE3 LYS 56 -15.883 28.189 16.299 1007 HZ1 LYS 56 HZ1 LYS 56 -16.582 30.470 17.025 1008 HZ2 LYS 56 HZ2 LYS 56 -15.983 31.076 15.628 1009 HZ3 LYS 56 HZ3 LYS 56 -15.002 30.310 16.710 1010 H LEU 57 H LEU 57 -12.824 27.271 10.035 1011 HA LEU 57 HA LEU 57 -12.133 24.519 9.467 1012 HB2 LEU 57 HB2 LEU 57 -13.375 25.779 8.019 1013 HB3 LEU 57 HB3 LEU 57 -12.224 27.106 7.881 1014 HG LEU 57 HG LEU 57 -11.579 24.316 6.874 1015 HD11 LEU 57 HD11 LEU 57 -13.637 25.140 5.775 1016 HD12 LEU 57 HD12 LEU 57 -12.289 25.099 4.634 1017 HD13 LEU 57 HD13 LEU 57 -12.811 26.647 5.334 1018 HD21 LEU 57 HD21 LEU 57 -9.575 25.720 6.940 1019 HD22 LEU 57 HD22 LEU 57 -10.464 27.077 6.212 1020 HD23 LEU 57 HD23 LEU 57 -10.102 25.617 5.272 1021 H VAL 58 H VAL 58 -10.189 27.518 9.609 1022 HA VAL 58 HA VAL 58 -7.779 26.067 8.949 1023 HB VAL 58 HB VAL 58 -8.317 28.414 8.306 1024 HG11 VAL 58 HG11 VAL 58 -8.957 29.093 10.650 1025 HG12 VAL 58 HG12 VAL 58 -7.236 29.254 11.013 1026 HG13 VAL 58 HG13 VAL 58 -7.990 30.249 9.730 1027 HG21 VAL 58 HG21 VAL 58 -6.021 29.223 8.398 1028 HG22 VAL 58 HG22 VAL 58 -5.624 28.009 9.632 1029 HG23 VAL 58 HG23 VAL 58 -6.083 27.504 7.980 1030 H THR 59 H THR 59 -9.355 26.850 11.977 1031 HA THR 59 HA THR 59 -7.033 26.274 13.634 1032 HB THR 59 HB THR 59 -9.081 27.600 14.382 1033 HG1 THR 59 HG1 THR 59 -7.466 27.019 15.781 1034 HG21 THR 59 HG21 THR 59 -10.758 26.246 15.643 1035 HG22 THR 59 HG22 THR 59 -10.166 24.781 14.873 1036 HG23 THR 59 HG23 THR 59 -10.844 26.078 13.890 1037 H LEU 60 H LEU 60 -9.785 24.353 12.393 1038 HA LEU 60 HA LEU 60 -9.291 21.879 13.590 1039 HB2 LEU 60 HB2 LEU 60 -10.438 22.669 11.010 1040 HB3 LEU 60 HB3 LEU 60 -9.699 21.085 10.981 1041 HG LEU 60 HG LEU 60 -12.005 20.875 11.450 1042 HD11 LEU 60 HD11 LEU 60 -10.700 20.203 14.097 1043 HD12 LEU 60 HD12 LEU 60 -10.476 19.232 12.629 1044 HD13 LEU 60 HD13 LEU 60 -12.088 19.435 13.295 1045 HD21 LEU 60 HD21 LEU 60 -12.633 22.883 12.368 1046 HD22 LEU 60 HD22 LEU 60 -11.533 22.731 13.757 1047 HD23 LEU 60 HD23 LEU 60 -12.986 21.686 13.614 1048 H TYR 61 H TYR 61 -7.706 22.933 10.585 1049 HA TYR 61 HA TYR 61 -5.708 20.808 10.569 1050 HB2 TYR 61 HB2 TYR 61 -5.130 21.550 8.604 1051 HB3 TYR 61 HB3 TYR 61 -6.398 22.739 8.717 1052 HD1 TYR 61 HD1 TYR 61 -2.785 22.025 9.108 1053 HD2 TYR 61 HD2 TYR 61 -5.748 25.125 8.902 1054 HE1 TYR 61 HE1 TYR 61 -0.986 23.726 8.829 1055 HE2 TYR 61 HE2 TYR 61 -3.929 26.834 8.678 1056 HH TYR 61 HH TYR 61 -0.478 25.951 8.595 1057 H ASP 62 H ASP 62 -5.619 23.997 11.876 1058 HA ASP 62 HA ASP 62 -2.863 24.192 12.534 1059 HB2 ASP 62 HB2 ASP 62 -4.406 26.129 12.569 1060 HB3 ASP 62 HB3 ASP 62 -5.149 25.480 14.041 1061 H ARG 63 H ARG 63 -5.419 22.462 14.283 1062 HA ARG 63 HA ARG 63 -3.159 21.430 16.001 1063 HB2 ARG 63 HB2 ARG 63 -6.037 21.472 16.920 1064 HB3 ARG 63 HB3 ARG 63 -4.630 20.915 17.835 1065 HG2 ARG 63 HG2 ARG 63 -5.147 23.781 17.035 1066 HG3 ARG 63 HG3 ARG 63 -5.298 23.023 18.639 1067 HD2 ARG 63 HD2 ARG 63 -3.148 23.016 19.093 1068 HD3 ARG 63 HD3 ARG 63 -2.618 22.698 17.453 1069 HE ARG 63 HE ARG 63 -3.320 25.125 16.942 1070 HH11 ARG 63 HH21 ARG 63 -1.590 24.223 19.874 1071 HH12 ARG 63 HH22 ARG 63 -0.724 25.735 19.869 1072 HH21 ARG 63 HH11 ARG 63 -2.272 26.837 16.973 1073 HH22 ARG 63 HH12 ARG 63 -1.120 27.256 18.247 1074 H PHE 64 H PHE 64 -5.631 20.348 13.811 1075 HA PHE 64 HA PHE 64 -5.577 17.588 14.459 1076 HB2 PHE 64 HB2 PHE 64 -7.170 18.322 12.869 1077 HB3 PHE 64 HB3 PHE 64 -5.938 19.136 11.903 1078 HD1 PHE 64 HD2 PHE 64 -7.205 15.771 12.893 1079 HD2 PHE 64 HD1 PHE 64 -4.766 17.994 10.138 1080 HE1 PHE 64 HE2 PHE 64 -6.950 13.739 11.471 1081 HE2 PHE 64 HE1 PHE 64 -4.508 15.984 8.713 1082 HZ PHE 64 HZ PHE 64 -5.603 13.838 9.394 1083 H ARG 65 H ARG 65 -3.401 19.355 12.094 1084 HA ARG 65 HA ARG 65 -2.005 16.815 11.681 1085 HB2 ARG 65 HB2 ARG 65 -0.941 17.784 9.949 1086 HB3 ARG 65 HB3 ARG 65 -2.550 18.542 10.012 1087 HG2 ARG 65 HG2 ARG 65 -1.760 20.633 10.571 1088 HG3 ARG 65 HG3 ARG 65 -0.091 20.015 10.884 1089 HD2 ARG 65 HD2 ARG 65 -0.143 19.164 8.482 1090 HD3 ARG 65 HD3 ARG 65 -1.622 20.102 8.247 1091 HE ARG 65 HE ARG 65 0.555 21.715 9.297 1092 HH11 ARG 65 HH21 ARG 65 -0.445 20.241 6.258 1093 HH12 ARG 65 HH22 ARG 65 0.288 21.492 5.314 1094 HH21 ARG 65 HH11 ARG 65 1.564 23.223 7.979 1095 HH22 ARG 65 HH12 ARG 65 1.362 23.139 6.258 1096 H PHE 66 H PHE 66 -1.245 19.791 13.074 1097 HA PHE 66 HA PHE 66 1.373 19.203 14.085 1098 HB2 PHE 66 HB2 PHE 66 -0.672 21.293 14.846 1099 HB3 PHE 66 HB3 PHE 66 0.965 21.267 15.488 1100 HD1 PHE 66 HD1 PHE 66 2.930 21.273 13.758 1101 HD2 PHE 66 HD2 PHE 66 -1.112 22.442 12.814 1102 HE1 PHE 66 HE1 PHE 66 3.765 22.625 11.847 1103 HE2 PHE 66 HE2 PHE 66 -0.270 23.859 10.970 1104 HZ PHE 66 HZ PHE 66 2.172 23.942 10.465 1105 H GLU 67 H GLU 67 -1.637 19.460 16.109 1106 HA GLU 67 HA GLU 67 0.040 18.592 18.399 1107 HB2 GLU 67 HB2 GLU 67 -2.451 20.356 18.210 1108 HB3 GLU 67 HB3 GLU 67 -1.794 19.755 19.715 1109 HG2 GLU 67 HG2 GLU 67 -0.310 21.490 17.691 1110 HG3 GLU 67 HG3 GLU 67 -1.015 22.039 19.204 1111 H ASN 68 H ASN 68 -3.160 17.893 17.165 1112 HA ASN 68 HA ASN 68 -3.412 15.573 19.005 1113 HB2 ASN 68 HB2 ASN 68 -5.547 17.653 18.387 1114 HB3 ASN 68 HB3 ASN 68 -5.857 16.128 19.203 1115 HD21 ASN 68 HD21 ASN 68 -4.799 19.390 19.674 1116 HD22 ASN 68 HD22 ASN 68 -4.436 19.195 21.394 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 4.128 -0.368 1.051 2 H2 GLY 1 H2 GLY 1 3.755 -1.618 0.059 3 H3 GLY 1 H3 GLY 1 3.875 -1.862 1.674 4 HA2 GLY 1 HA2 GLY 1 1.961 -0.469 2.099 5 HA3 GLY 1 HA3 GLY 1 1.841 -0.178 0.354 6 H SER 2 H SER 2 0.105 -1.612 2.510 7 HA SER 2 HA SER 2 0.066 -4.388 1.875 8 HB2 SER 2 HB2 SER 2 -2.133 -2.702 3.125 9 HB3 SER 2 HB3 SER 2 -1.936 -4.461 3.247 10 HG SER 2 HG SER 2 -1.082 -3.410 5.087 11 H HIS 3 H HIS 3 -1.377 -1.770 0.134 12 HA HIS 3 HA HIS 3 -2.604 -3.591 -1.789 13 HB2 HIS 3 HB2 HIS 3 -4.356 -3.124 0.050 14 HB3 HIS 3 HB3 HIS 3 -4.371 -1.446 -0.510 15 HD1 HIS 3 HD1 HIS 3 -4.748 -4.922 -2.294 16 HD2 HIS 3 HD2 HIS 3 -6.261 -1.002 -2.163 17 HE1 HIS 3 HE1 HIS 3 -6.562 -4.802 -4.082 18 H MET 4 H MET 4 -3.733 -2.092 -3.562 19 HA MET 4 HA MET 4 -1.862 -0.010 -4.470 20 HB2 MET 4 HB2 MET 4 -4.579 -0.887 -5.531 21 HB3 MET 4 HB3 MET 4 -3.483 0.257 -6.318 22 HG2 MET 4 HG2 MET 4 -1.747 -1.516 -6.458 23 HG3 MET 4 HG3 MET 4 -2.891 -2.679 -5.786 24 HE1 MET 4 HE1 MET 4 -5.546 -3.096 -8.617 25 HE2 MET 4 HE2 MET 4 -5.005 -3.601 -7.002 26 HE3 MET 4 HE3 MET 4 -5.684 -1.975 -7.250 27 H ARG 5 H ARG 5 -2.453 2.211 -4.786 28 HA ARG 5 HA ARG 5 -4.913 3.209 -3.461 29 HB2 ARG 5 HB2 ARG 5 -2.680 3.337 -2.036 30 HB3 ARG 5 HB3 ARG 5 -2.342 4.747 -3.004 31 HG2 ARG 5 HG2 ARG 5 -4.584 5.696 -2.305 32 HG3 ARG 5 HG3 ARG 5 -4.892 4.305 -1.404 33 HD2 ARG 5 HD2 ARG 5 -4.241 6.124 0.025 34 HD3 ARG 5 HD3 ARG 5 -3.364 4.626 0.263 35 HE ARG 5 HE ARG 5 -1.970 6.495 -1.506 36 HH11 ARG 5 HH11 ARG 5 -2.563 5.830 1.895 37 HH12 ARG 5 HH12 ARG 5 -1.000 6.443 2.371 38 HH21 ARG 5 HH21 ARG 5 0.005 7.281 -0.805 39 HH22 ARG 5 HH22 ARG 5 0.389 7.273 0.889 40 H MET 6 H MET 6 -5.851 4.912 -4.500 41 HA MET 6 HA MET 6 -4.280 6.203 -6.650 42 HB2 MET 6 HB2 MET 6 -7.251 5.655 -6.928 43 HB3 MET 6 HB3 MET 6 -6.117 6.140 -8.181 44 HG2 MET 6 HG2 MET 6 -6.192 3.469 -6.739 45 HG3 MET 6 HG3 MET 6 -6.889 3.789 -8.324 46 HE1 MET 6 HE1 MET 6 -3.976 1.325 -9.139 47 HE2 MET 6 HE2 MET 6 -5.070 1.337 -7.738 48 HE3 MET 6 HE3 MET 6 -5.704 1.678 -9.363 49 H SER 7 H SER 7 -3.864 7.526 -4.864 50 HA SER 7 HA SER 7 -5.667 8.916 -3.358 51 HB2 SER 7 HB2 SER 7 -2.916 9.833 -4.171 52 HB3 SER 7 HB3 SER 7 -3.956 10.799 -3.092 53 HG SER 7 HG SER 7 -2.509 9.131 -2.099 54 H LEU 8 H LEU 8 -7.269 10.127 -3.809 55 HA LEU 8 HA LEU 8 -8.787 11.429 -4.653 56 HB2 LEU 8 HB2 LEU 8 -6.787 13.589 -5.130 57 HB3 LEU 8 HB3 LEU 8 -8.397 13.640 -4.469 58 HG LEU 8 HG LEU 8 -6.053 12.350 -2.988 59 HD11 LEU 8 HD11 LEU 8 -5.712 14.717 -3.164 60 HD12 LEU 8 HD12 LEU 8 -6.146 14.217 -1.523 61 HD13 LEU 8 HD13 LEU 8 -7.366 15.025 -2.549 62 HD21 LEU 8 HD21 LEU 8 -8.215 11.389 -2.379 63 HD22 LEU 8 HD22 LEU 8 -8.932 13.019 -2.325 64 HD23 LEU 8 HD23 LEU 8 -7.727 12.515 -1.100 65 H ILE 9 H ILE 9 -8.966 9.861 -6.379 66 HA ILE 9 HA ILE 9 -8.500 10.522 -9.108 67 HB ILE 9 HB ILE 9 -11.002 9.120 -8.145 68 HG12 ILE 9 HG12 ILE 9 -8.243 7.851 -8.035 69 HG13 ILE 9 HG13 ILE 9 -9.275 8.174 -6.680 70 HG21 ILE 9 HG21 ILE 9 -9.095 8.486 -10.441 71 HG22 ILE 9 HG22 ILE 9 -10.691 7.759 -10.154 72 HG23 ILE 9 HG23 ILE 9 -10.576 9.450 -10.604 73 HD11 ILE 9 HD11 ILE 9 -9.557 5.901 -7.073 74 HD12 ILE 9 HD12 ILE 9 -11.028 6.685 -7.672 75 HD13 ILE 9 HD13 ILE 9 -9.782 6.117 -8.819 76 H GLY 10 H GLY 10 -10.807 11.703 -6.772 77 HA2 GLY 10 HA2 GLY 10 -12.200 13.613 -6.947 78 HA3 GLY 10 HA3 GLY 10 -12.095 13.573 -8.683 79 H GLU 11 H GLU 11 -12.727 10.453 -7.496 80 HA GLU 11 HA GLU 11 -15.612 10.785 -6.923 81 HB2 GLU 11 HB2 GLU 11 -15.879 8.488 -8.172 82 HB3 GLU 11 HB3 GLU 11 -16.115 10.040 -9.006 83 HG2 GLU 11 HG2 GLU 11 -13.816 9.850 -9.962 84 HG3 GLU 11 HG3 GLU 11 -13.619 8.294 -9.151 85 H ARG 12 H ARG 12 -13.277 8.115 -7.346 86 HA ARG 12 HA ARG 12 -12.632 6.396 -6.009 87 HB2 ARG 12 HB2 ARG 12 -12.903 7.942 -3.525 88 HB3 ARG 12 HB3 ARG 12 -11.702 6.799 -4.090 89 HG2 ARG 12 HG2 ARG 12 -10.369 8.514 -4.331 90 HG3 ARG 12 HG3 ARG 12 -11.178 8.777 -5.847 91 HD2 ARG 12 HD2 ARG 12 -11.055 10.887 -4.618 92 HD3 ARG 12 HD3 ARG 12 -12.734 10.405 -4.751 93 HE ARG 12 HE ARG 12 -11.025 10.255 -2.295 94 HH11 ARG 12 HH11 ARG 12 -14.328 10.242 -3.589 95 HH12 ARG 12 HH12 ARG 12 -14.930 10.907 -2.113 96 HH21 ARG 12 HH21 ARG 12 -12.025 10.728 -0.355 97 HH22 ARG 12 HH22 ARG 12 -13.757 10.863 -0.300 98 H PHE 13 H PHE 13 -15.339 6.392 -6.618 99 HA PHE 13 HA PHE 13 -17.141 5.787 -4.471 100 HB2 PHE 13 HB2 PHE 13 -17.030 4.960 -7.401 101 HB3 PHE 13 HB3 PHE 13 -18.412 4.756 -6.364 102 HD1 PHE 13 HD2 PHE 13 -17.617 7.811 -5.110 103 HD2 PHE 13 HD1 PHE 13 -18.622 6.099 -8.950 104 HE1 PHE 13 HE2 PHE 13 -18.406 10.011 -5.887 105 HE2 PHE 13 HE1 PHE 13 -19.421 8.320 -9.716 106 HZ PHE 13 HZ PHE 13 -19.315 10.281 -8.187 107 H THR 14 H THR 14 -18.173 3.537 -4.259 108 HA THR 14 HA THR 14 -16.626 1.869 -2.874 109 HB THR 14 HB THR 14 -19.046 1.761 -3.008 110 HG1 THR 14 HG1 THR 14 -18.054 0.081 -1.985 111 HG21 THR 14 HG21 THR 14 -18.763 -0.031 -5.447 112 HG22 THR 14 HG22 THR 14 -19.328 1.658 -5.506 113 HG23 THR 14 HG23 THR 14 -20.247 0.443 -4.607 114 H GLU 15 H GLU 15 -16.907 1.271 -6.448 115 HA GLU 15 HA GLU 15 -15.063 -0.997 -6.324 116 HB2 GLU 15 HB2 GLU 15 -16.077 0.649 -8.674 117 HB3 GLU 15 HB3 GLU 15 -15.095 -0.817 -8.800 118 HG2 GLU 15 HG2 GLU 15 -16.875 -2.085 -7.570 119 HG3 GLU 15 HG3 GLU 15 -17.886 -0.638 -7.593 120 H GLU 16 H GLU 16 -14.709 2.417 -6.935 121 HA GLU 16 HA GLU 16 -11.803 2.297 -7.504 122 HB2 GLU 16 HB2 GLU 16 -13.624 4.724 -7.350 123 HB3 GLU 16 HB3 GLU 16 -11.999 4.649 -8.007 124 HG2 GLU 16 HG2 GLU 16 -14.496 3.382 -9.190 125 HG3 GLU 16 HG3 GLU 16 -13.602 4.761 -9.809 126 H GLU 17 H GLU 17 -13.575 2.183 -4.786 127 HA GLU 17 HA GLU 17 -12.502 4.080 -3.080 128 HB2 GLU 17 HB2 GLU 17 -14.525 2.606 -2.814 129 HB3 GLU 17 HB3 GLU 17 -13.450 1.311 -2.271 130 HG2 GLU 17 HG2 GLU 17 -12.762 2.757 -0.341 131 HG3 GLU 17 HG3 GLU 17 -13.797 4.041 -0.969 132 H GLN 18 H GLN 18 -10.816 1.332 -4.094 133 HA GLN 18 HA GLN 18 -9.171 0.442 -2.245 134 HB2 GLN 18 HB2 GLN 18 -7.408 -0.016 -3.711 135 HB3 GLN 18 HB3 GLN 18 -8.861 -0.127 -4.677 136 HG2 GLN 18 HG2 GLN 18 -6.844 2.140 -4.661 137 HG3 GLN 18 HG3 GLN 18 -7.032 0.837 -5.856 138 HE21 GLN 18 HE22 GLN 18 -7.944 4.040 -5.200 139 HE22 GLN 18 HE21 GLN 18 -9.486 4.048 -6.056 140 H LYS 19 H LYS 19 -8.782 3.669 -3.461 141 HA LYS 19 HA LYS 19 -6.642 4.712 -2.004 142 HB2 LYS 19 HB2 LYS 19 -7.736 6.017 -3.622 143 HB3 LYS 19 HB3 LYS 19 -9.267 5.702 -2.945 144 HG2 LYS 19 HG2 LYS 19 -8.319 8.025 -2.770 145 HG3 LYS 19 HG3 LYS 19 -9.195 7.269 -1.434 146 HD2 LYS 19 HD2 LYS 19 -7.589 7.373 0.000 147 HD3 LYS 19 HD3 LYS 19 -6.321 6.929 -1.125 148 HE2 LYS 19 HE2 LYS 19 -6.915 9.458 -2.028 149 HE3 LYS 19 HE3 LYS 19 -7.646 9.641 -0.451 150 HZ1 LYS 19 HZ1 LYS 19 -5.438 9.328 0.552 151 HZ2 LYS 19 HZ2 LYS 19 -5.345 10.479 -0.572 152 HZ3 LYS 19 HZ3 LYS 19 -4.750 9.022 -0.938 153 H LEU 20 H LEU 20 -9.975 4.746 -0.923 154 HA LEU 20 HA LEU 20 -9.375 5.772 1.711 155 HB2 LEU 20 HB2 LEU 20 -11.981 4.649 0.538 156 HB3 LEU 20 HB3 LEU 20 -11.861 5.592 1.970 157 HG LEU 20 HG LEU 20 -12.723 7.076 0.574 158 HD11 LEU 20 HD11 LEU 20 -10.954 8.155 1.706 159 HD12 LEU 20 HD12 LEU 20 -10.942 8.759 0.037 160 HD13 LEU 20 HD13 LEU 20 -9.722 7.603 0.584 161 HD21 LEU 20 HD21 LEU 20 -10.968 5.961 -1.637 162 HD22 LEU 20 HD22 LEU 20 -11.914 7.452 -1.724 163 HD23 LEU 20 HD23 LEU 20 -12.711 5.897 -1.427 164 H LEU 21 H LEU 21 -10.131 2.753 0.219 165 HA LEU 21 HA LEU 21 -10.417 1.034 2.515 166 HB2 LEU 21 HB2 LEU 21 -10.959 -0.365 0.850 167 HB3 LEU 21 HB3 LEU 21 -10.193 0.632 -0.365 168 HG LEU 21 HG LEU 21 -8.026 -0.381 0.072 169 HD11 LEU 21 HD11 LEU 21 -8.716 -2.807 1.553 170 HD12 LEU 21 HD12 LEU 21 -9.324 -1.463 2.498 171 HD13 LEU 21 HD13 LEU 21 -7.607 -1.536 2.042 172 HD21 LEU 21 HD21 LEU 21 -9.916 -2.624 -0.399 173 HD22 LEU 21 HD22 LEU 21 -8.137 -2.501 -0.649 174 HD23 LEU 21 HD23 LEU 21 -9.237 -1.509 -1.613 175 H LEU 22 H LEU 22 -7.418 2.152 0.603 176 HA LEU 22 HA LEU 22 -6.007 0.121 2.058 177 HB2 LEU 22 HB2 LEU 22 -5.008 0.805 0.013 178 HB3 LEU 22 HB3 LEU 22 -4.982 2.510 0.474 179 HG LEU 22 HG LEU 22 -3.261 2.075 2.183 180 HD11 LEU 22 HD11 LEU 22 -2.136 -0.083 2.398 181 HD12 LEU 22 HD12 LEU 22 -3.272 -0.820 1.255 182 HD13 LEU 22 HD13 LEU 22 -3.835 -0.261 2.829 183 HD21 LEU 22 HD21 LEU 22 -2.639 0.976 -0.565 184 HD22 LEU 22 HD22 LEU 22 -1.402 1.334 0.665 185 HD23 LEU 22 HD23 LEU 22 -2.417 2.629 0.041 186 H ASN 23 H ASN 23 -6.453 3.564 2.222 187 HA ASN 23 HA ASN 23 -4.996 4.439 4.448 188 HB2 ASN 23 HB2 ASN 23 -7.489 5.302 2.920 189 HB3 ASN 23 HB3 ASN 23 -6.933 6.231 4.215 190 HD21 ASN 23 HD21 ASN 23 -6.995 7.243 1.727 191 HD22 ASN 23 HD22 ASN 23 -5.378 7.366 1.069 192 H ILE 24 H ILE 24 -8.334 3.015 4.529 193 HA ILE 24 HA ILE 24 -8.377 3.435 7.468 194 HB ILE 24 HB ILE 24 -10.414 2.247 7.565 195 HG12 ILE 24 HG12 ILE 24 -9.981 1.529 4.673 196 HG13 ILE 24 HG13 ILE 24 -10.082 0.453 6.030 197 HG21 ILE 24 HG21 ILE 24 -10.410 4.639 7.000 198 HG22 ILE 24 HG22 ILE 24 -10.539 4.237 5.283 199 HG23 ILE 24 HG23 ILE 24 -11.838 3.799 6.401 200 HD11 ILE 24 HD11 ILE 24 -12.370 2.080 4.853 201 HD12 ILE 24 HD12 ILE 24 -12.147 0.324 4.797 202 HD13 ILE 24 HD13 ILE 24 -12.488 1.117 6.349 203 H LEU 25 H LEU 25 -7.372 0.904 5.282 204 HA LEU 25 HA LEU 25 -7.399 -1.205 7.199 205 HB2 LEU 25 HB2 LEU 25 -7.630 -1.462 4.762 206 HB3 LEU 25 HB3 LEU 25 -5.975 -0.906 4.530 207 HG LEU 25 HG LEU 25 -5.127 -2.899 5.772 208 HD11 LEU 25 HD11 LEU 25 -7.075 -3.425 7.176 209 HD12 LEU 25 HD12 LEU 25 -6.703 -4.803 6.134 210 HD13 LEU 25 HD13 LEU 25 -8.065 -3.730 5.729 211 HD21 LEU 25 HD21 LEU 25 -5.328 -2.898 3.306 212 HD22 LEU 25 HD22 LEU 25 -6.974 -3.559 3.445 213 HD23 LEU 25 HD23 LEU 25 -5.578 -4.511 3.993 214 H ILE 26 H ILE 26 -4.925 1.135 6.236 215 HA ILE 26 HA ILE 26 -2.800 -0.072 7.850 216 HB ILE 26 HB ILE 26 -1.435 1.797 7.186 217 HG12 ILE 26 HG12 ILE 26 -3.775 2.964 5.644 218 HG13 ILE 26 HG13 ILE 26 -3.338 3.527 7.255 219 HG21 ILE 26 HG21 ILE 26 -1.678 -0.132 5.691 220 HG22 ILE 26 HG22 ILE 26 -2.992 0.684 4.831 221 HG23 ILE 26 HG23 ILE 26 -1.353 1.354 4.792 222 HD11 ILE 26 HD11 ILE 26 -1.054 4.081 6.450 223 HD12 ILE 26 HD12 ILE 26 -1.553 3.642 4.796 224 HD13 ILE 26 HD13 ILE 26 -2.338 4.995 5.628 225 H ASN 27 H ASN 27 -1.519 1.844 9.106 226 HA ASN 27 HA ASN 27 -2.723 1.824 11.648 227 HB2 ASN 27 HB2 ASN 27 -0.727 3.081 12.320 228 HB3 ASN 27 HB3 ASN 27 -0.308 1.734 11.266 229 HD21 ASN 27 HD21 ASN 27 0.743 2.231 9.235 230 HD22 ASN 27 HD22 ASN 27 1.136 3.886 8.816 231 H HIS 28 H HIS 28 -2.890 4.390 9.255 232 HA HIS 28 HA HIS 28 -4.545 6.040 11.091 233 HB2 HIS 28 HB2 HIS 28 -2.320 6.965 11.316 234 HB3 HIS 28 HB3 HIS 28 -2.078 6.952 9.569 235 HD1 HIS 28 HD1 HIS 28 -4.230 8.866 12.183 236 HD2 HIS 28 HD2 HIS 28 -2.864 9.042 8.206 237 HE1 HIS 28 HE1 HIS 28 -4.945 11.142 11.278 238 H GLU 29 H GLU 29 -6.179 7.121 10.173 239 HA GLU 29 HA GLU 29 -7.163 6.279 7.601 240 HB2 GLU 29 HB2 GLU 29 -8.234 8.245 9.650 241 HB3 GLU 29 HB3 GLU 29 -9.106 7.713 8.202 242 HG2 GLU 29 HG2 GLU 29 -9.028 5.377 8.960 243 HG3 GLU 29 HG3 GLU 29 -8.109 5.837 10.392 244 H TYR 30 H TYR 30 -5.337 7.054 6.418 245 HA TYR 30 HA TYR 30 -4.387 9.605 6.376 246 HB2 TYR 30 HB2 TYR 30 -3.289 7.512 5.636 247 HB3 TYR 30 HB3 TYR 30 -4.319 7.519 4.201 248 HD1 TYR 30 HD1 TYR 30 -1.930 9.826 6.014 249 HD2 TYR 30 HD2 TYR 30 -3.414 8.383 2.233 250 HE1 TYR 30 HE1 TYR 30 -0.262 11.225 4.827 251 HE2 TYR 30 HE2 TYR 30 -1.722 9.734 1.044 252 HH TYR 30 HH TYR 30 0.675 11.769 2.798 253 H ALA 31 H ALA 31 -7.120 8.588 4.262 254 HA ALA 31 HA ALA 31 -6.986 10.580 2.340 255 HB1 ALA 31 HB1 ALA 31 -9.423 10.368 2.228 256 HB2 ALA 31 HB2 ALA 31 -8.616 8.785 2.379 257 HB3 ALA 31 HB3 ALA 31 -9.434 9.527 3.789 258 H ILE 32 H ILE 32 -8.328 10.869 5.661 259 HA ILE 32 HA ILE 32 -9.156 13.511 5.481 260 HB ILE 32 HB ILE 32 -8.248 11.843 7.821 261 HG12 ILE 32 HG12 ILE 32 -10.659 11.765 8.426 262 HG13 ILE 32 HG13 ILE 32 -11.061 12.617 6.936 263 HG21 ILE 32 HG21 ILE 32 -8.090 14.275 8.426 264 HG22 ILE 32 HG22 ILE 32 -9.787 14.451 7.925 265 HG23 ILE 32 HG23 ILE 32 -9.318 13.414 9.313 266 HD11 ILE 32 HD11 ILE 32 -11.366 10.062 7.036 267 HD12 ILE 32 HD12 ILE 32 -10.502 10.696 5.624 268 HD13 ILE 32 HD13 ILE 32 -9.611 9.945 6.981 269 H GLU 33 H GLU 33 -5.947 12.289 6.524 270 HA GLU 33 HA GLU 33 -4.724 14.767 7.179 271 HB2 GLU 33 HB2 GLU 33 -3.555 12.726 7.578 272 HB3 GLU 33 HB3 GLU 33 -3.537 12.324 5.864 273 HG2 GLU 33 HG2 GLU 33 -1.338 13.075 6.623 274 HG3 GLU 33 HG3 GLU 33 -1.987 14.092 5.349 275 H LEU 34 H LEU 34 -5.166 13.264 3.929 276 HA LEU 34 HA LEU 34 -4.064 15.463 2.498 277 HB2 LEU 34 HB2 LEU 34 -5.986 13.198 1.841 278 HB3 LEU 34 HB3 LEU 34 -5.863 14.528 0.734 279 HG LEU 34 HG LEU 34 -4.488 12.499 0.271 280 HD11 LEU 34 HD11 LEU 34 -2.898 15.096 0.533 281 HD12 LEU 34 HD12 LEU 34 -4.011 14.723 -0.794 282 HD13 LEU 34 HD13 LEU 34 -2.544 13.758 -0.579 283 HD21 LEU 34 HD21 LEU 34 -3.624 11.985 2.463 284 HD22 LEU 34 HD22 LEU 34 -2.657 13.485 2.456 285 HD23 LEU 34 HD23 LEU 34 -2.331 12.221 1.265 286 H LEU 35 H LEU 35 -7.518 14.749 3.415 287 HA LEU 35 HA LEU 35 -8.697 16.915 2.142 288 HB2 LEU 35 HB2 LEU 35 -9.960 15.208 3.436 289 HB3 LEU 35 HB3 LEU 35 -9.222 15.705 4.916 290 HG LEU 35 HG LEU 35 -10.390 17.744 5.056 291 HD11 LEU 35 HD11 LEU 35 -10.587 18.243 2.587 292 HD12 LEU 35 HD12 LEU 35 -12.023 18.551 3.558 293 HD13 LEU 35 HD13 LEU 35 -11.947 17.114 2.533 294 HD21 LEU 35 HD21 LEU 35 -12.245 15.437 4.339 295 HD22 LEU 35 HD22 LEU 35 -12.690 16.875 5.283 296 HD23 LEU 35 HD23 LEU 35 -11.490 15.738 5.920 297 H SER 36 H SER 36 -7.382 17.005 5.512 298 HA SER 36 HA SER 36 -7.939 19.773 5.861 299 HB2 SER 36 HB2 SER 36 -7.442 17.886 7.550 300 HB3 SER 36 HB3 SER 36 -5.733 18.332 7.326 301 HG SER 36 HG SER 36 -7.247 19.425 8.990 302 H SER 37 H SER 37 -4.898 18.146 4.881 303 HA SER 37 HA SER 37 -3.236 20.454 4.722 304 HB2 SER 37 HB2 SER 37 -2.471 18.095 4.653 305 HB3 SER 37 HB3 SER 37 -3.126 17.949 3.008 306 HG SER 37 HG SER 37 -0.876 18.500 3.047 307 H GLU 38 H GLU 38 -5.389 18.901 2.446 308 HA GLU 38 HA GLU 38 -4.742 20.436 0.102 309 HB2 GLU 38 HB2 GLU 38 -6.892 18.431 0.850 310 HB3 GLU 38 HB3 GLU 38 -6.959 19.191 -0.672 311 HG2 GLU 38 HG2 GLU 38 -4.509 17.651 0.261 312 HG3 GLU 38 HG3 GLU 38 -5.830 16.953 -0.667 313 H ILE 39 H ILE 39 -7.614 20.592 2.317 314 HA ILE 39 HA ILE 39 -8.874 22.731 0.860 315 HB ILE 39 HB ILE 39 -10.101 23.191 2.942 316 HG12 ILE 39 HG12 ILE 39 -9.783 20.941 4.547 317 HG13 ILE 39 HG13 ILE 39 -8.130 21.396 4.174 318 HG21 ILE 39 HG21 ILE 39 -9.977 20.302 2.080 319 HG22 ILE 39 HG22 ILE 39 -11.394 21.076 2.807 320 HG23 ILE 39 HG23 ILE 39 -10.853 21.569 1.189 321 HD11 ILE 39 HD11 ILE 39 -8.820 22.438 6.245 322 HD12 ILE 39 HD12 ILE 39 -8.632 23.719 5.031 323 HD13 ILE 39 HD13 ILE 39 -10.253 23.141 5.470 324 H ASN 40 H ASN 40 -6.602 22.722 3.658 325 HA ASN 40 HA ASN 40 -6.576 25.625 3.622 326 HB2 ASN 40 HB2 ASN 40 -5.151 25.645 5.341 327 HB3 ASN 40 HB3 ASN 40 -5.863 24.053 5.559 328 HD21 ASN 40 HD21 ASN 40 -4.524 22.261 5.316 329 HD22 ASN 40 HD22 ASN 40 -2.784 22.409 5.096 330 H ASP 41 H ASP 41 -4.775 23.345 1.625 331 HA ASP 41 HA ASP 41 -2.847 25.334 0.706 332 HB2 ASP 41 HB2 ASP 41 -2.726 22.728 0.541 333 HB3 ASP 41 HB3 ASP 41 -3.684 22.930 -0.923 334 H ILE 42 H ILE 42 -6.170 24.540 -0.120 335 HA ILE 42 HA ILE 42 -6.168 26.364 -2.471 336 HB ILE 42 HB ILE 42 -8.346 24.755 -1.119 337 HG12 ILE 42 HG12 ILE 42 -8.586 23.894 -3.501 338 HG13 ILE 42 HG13 ILE 42 -7.157 24.819 -3.942 339 HG21 ILE 42 HG21 ILE 42 -9.914 25.638 -2.846 340 HG22 ILE 42 HG22 ILE 42 -9.427 26.877 -1.699 341 HG23 ILE 42 HG23 ILE 42 -8.693 26.839 -3.321 342 HD11 ILE 42 HD11 ILE 42 -6.588 22.465 -3.550 343 HD12 ILE 42 HD12 ILE 42 -5.834 23.427 -2.284 344 HD13 ILE 42 HD13 ILE 42 -7.347 22.545 -1.955 345 H GLU 43 H GLU 43 -7.481 26.427 0.838 346 HA GLU 43 HA GLU 43 -8.681 28.978 0.559 347 HB2 GLU 43 HB2 GLU 43 -9.049 27.083 2.309 348 HB3 GLU 43 HB3 GLU 43 -7.766 27.834 3.224 349 HG2 GLU 43 HG2 GLU 43 -9.866 28.665 4.065 350 HG3 GLU 43 HG3 GLU 43 -9.048 29.986 3.254 351 H THR 44 H THR 44 -5.600 28.139 2.098 352 HA THR 44 HA THR 44 -4.840 31.047 2.110 353 HB THR 44 HB THR 44 -5.149 30.286 4.362 354 HG1 THR 44 HG1 THR 44 -3.531 31.768 4.044 355 HG21 THR 44 HG21 THR 44 -3.550 28.670 5.399 356 HG22 THR 44 HG22 THR 44 -3.046 28.172 3.768 357 HG23 THR 44 HG23 THR 44 -4.725 27.930 4.310 358 H GLY 45 H GLY 45 -3.587 27.732 1.374 359 HA2 GLY 45 HA2 GLY 45 -1.070 28.667 0.366 360 HA3 GLY 45 HA3 GLY 45 -1.887 27.175 -0.093 361 H THR 46 H THR 46 -4.250 28.925 -1.000 362 HA THR 46 HA THR 46 -5.112 29.837 -2.818 363 HB THR 46 HB THR 46 -2.582 31.311 -3.519 364 HG1 THR 46 HG1 THR 46 -2.937 31.460 -1.243 365 HG21 THR 46 HG21 THR 46 -5.548 32.054 -3.462 366 HG22 THR 46 HG22 THR 46 -4.614 31.696 -4.929 367 HG23 THR 46 HG23 THR 46 -4.221 33.126 -3.967 368 H LYS 47 H LYS 47 -4.111 27.255 -3.117 369 HA LYS 47 HA LYS 47 -3.354 26.901 -5.929 370 HB2 LYS 47 HB2 LYS 47 -4.787 25.043 -3.975 371 HB3 LYS 47 HB3 LYS 47 -4.255 24.602 -5.581 372 HG2 LYS 47 HG2 LYS 47 -2.553 25.248 -3.172 373 HG3 LYS 47 HG3 LYS 47 -2.708 23.710 -3.999 374 HD2 LYS 47 HD2 LYS 47 -1.341 26.215 -5.060 375 HD3 LYS 47 HD3 LYS 47 -0.552 24.765 -4.439 376 HE2 LYS 47 HE2 LYS 47 -1.573 23.408 -6.258 377 HE3 LYS 47 HE3 LYS 47 -2.330 24.862 -6.920 378 HZ1 LYS 47 HZ1 LYS 47 0.601 24.431 -6.661 379 HZ2 LYS 47 HZ2 LYS 47 -0.091 25.782 -7.268 380 HZ3 LYS 47 HZ3 LYS 47 -0.242 24.359 -8.054 381 H ASN 48 H ASN 48 -4.701 26.700 -7.683 382 HA ASN 48 HA ASN 48 -7.487 26.334 -7.548 383 HB2 ASN 48 HB2 ASN 48 -7.372 28.824 -6.911 384 HB3 ASN 48 HB3 ASN 48 -6.702 29.133 -8.510 385 HD21 ASN 48 HD21 ASN 48 -9.503 27.516 -6.896 386 HD22 ASN 48 HD22 ASN 48 -10.659 27.965 -8.139 387 H VAL 49 H VAL 49 -8.025 25.318 -9.452 388 HA VAL 49 HA VAL 49 -6.697 26.017 -11.996 389 HB VAL 49 HB VAL 49 -6.254 23.790 -12.615 390 HG11 VAL 49 HG11 VAL 49 -4.413 23.157 -11.217 391 HG12 VAL 49 HG12 VAL 49 -4.484 24.921 -11.316 392 HG13 VAL 49 HG13 VAL 49 -5.055 24.085 -9.850 393 HG21 VAL 49 HG21 VAL 49 -7.925 22.413 -11.641 394 HG22 VAL 49 HG22 VAL 49 -6.388 21.834 -11.024 395 HG23 VAL 49 HG23 VAL 49 -7.415 22.845 -9.985 396 H ASP 50 H ASP 50 -7.996 23.978 -13.464 397 HA ASP 50 HA ASP 50 -10.766 24.552 -13.796 398 HB2 ASP 50 HB2 ASP 50 -9.251 21.943 -14.180 399 HB3 ASP 50 HB3 ASP 50 -10.764 22.378 -14.940 400 H GLY 51 H GLY 51 -12.521 22.679 -13.381 401 HA2 GLY 51 HA2 GLY 51 -13.112 22.323 -10.762 402 HA3 GLY 51 HA3 GLY 51 -13.677 21.245 -12.018 403 H THR 52 H THR 52 -10.441 20.622 -12.113 404 HA THR 52 HA THR 52 -10.450 18.111 -10.876 405 HB THR 52 HB THR 52 -8.204 20.116 -11.320 406 HG1 THR 52 HG1 THR 52 -7.862 18.826 -13.145 407 HG21 THR 52 HG21 THR 52 -7.416 18.494 -9.708 408 HG22 THR 52 HG22 THR 52 -6.717 18.108 -11.283 409 HG23 THR 52 HG23 THR 52 -8.096 17.150 -10.664 410 H THR 53 H THR 53 -8.974 21.139 -9.363 411 HA THR 53 HA THR 53 -8.614 19.834 -6.893 412 HB THR 53 HB THR 53 -7.353 21.772 -7.724 413 HG1 THR 53 HG1 THR 53 -7.111 22.623 -5.703 414 HG21 THR 53 HG21 THR 53 -9.645 23.522 -6.735 415 HG22 THR 53 HG22 THR 53 -9.273 23.254 -8.455 416 HG23 THR 53 HG23 THR 53 -8.085 24.036 -7.398 417 H TYR 54 H TYR 54 -11.266 21.913 -7.981 418 HA TYR 54 HA TYR 54 -12.881 22.090 -5.675 419 HB2 TYR 54 HB2 TYR 54 -13.612 21.635 -8.608 420 HB3 TYR 54 HB3 TYR 54 -14.779 21.988 -7.357 421 HD1 TYR 54 HD2 TYR 54 -11.890 23.431 -9.240 422 HD2 TYR 54 HD1 TYR 54 -15.045 24.168 -6.396 423 HE1 TYR 54 HE2 TYR 54 -11.461 25.871 -9.418 424 HE2 TYR 54 HE1 TYR 54 -14.614 26.628 -6.570 425 HH TYR 54 HH TYR 54 -13.344 28.278 -7.546 426 H LYS 55 H LYS 55 -13.032 19.587 -8.264 427 HA LYS 55 HA LYS 55 -14.782 17.917 -7.001 428 HB2 LYS 55 HB2 LYS 55 -14.278 18.073 -9.404 429 HB3 LYS 55 HB3 LYS 55 -12.733 17.338 -9.146 430 HG2 LYS 55 HG2 LYS 55 -14.200 15.431 -9.643 431 HG3 LYS 55 HG3 LYS 55 -14.295 15.456 -7.900 432 HD2 LYS 55 HD2 LYS 55 -16.198 17.293 -8.350 433 HD3 LYS 55 HD3 LYS 55 -16.273 16.516 -9.927 434 HE2 LYS 55 HE2 LYS 55 -16.575 14.283 -8.824 435 HE3 LYS 55 HE3 LYS 55 -16.579 15.079 -7.249 436 HZ1 LYS 55 HZ1 LYS 55 -18.842 14.703 -8.056 437 HZ2 LYS 55 HZ2 LYS 55 -18.564 15.561 -9.415 438 HZ3 LYS 55 HZ3 LYS 55 -18.576 16.312 -7.963 439 H LYS 56 H LYS 56 -11.183 17.638 -6.915 440 HA LYS 56 HA LYS 56 -10.972 15.423 -5.134 441 HB2 LYS 56 HB2 LYS 56 -9.253 17.846 -5.530 442 HB3 LYS 56 HB3 LYS 56 -8.981 16.749 -4.179 443 HG2 LYS 56 HG2 LYS 56 -7.753 15.580 -5.560 444 HG3 LYS 56 HG3 LYS 56 -9.247 14.906 -6.217 445 HD2 LYS 56 HD2 LYS 56 -9.247 16.224 -8.104 446 HD3 LYS 56 HD3 LYS 56 -8.141 17.456 -7.478 447 HE2 LYS 56 HE2 LYS 56 -7.345 14.565 -7.821 448 HE3 LYS 56 HE3 LYS 56 -7.268 15.690 -9.182 449 HZ1 LYS 56 HZ1 LYS 56 -5.131 15.526 -8.027 450 HZ2 LYS 56 HZ2 LYS 56 -5.787 16.028 -6.621 451 HZ3 LYS 56 HZ3 LYS 56 -5.704 17.046 -7.898 452 H LEU 57 H LEU 57 -11.507 18.873 -4.041 453 HA LEU 57 HA LEU 57 -11.649 17.830 -1.297 454 HB2 LEU 57 HB2 LEU 57 -11.907 20.575 -2.468 455 HB3 LEU 57 HB3 LEU 57 -12.216 20.266 -0.775 456 HG LEU 57 HG LEU 57 -10.044 21.069 -0.831 457 HD11 LEU 57 HD11 LEU 57 -8.895 19.409 0.292 458 HD12 LEU 57 HD12 LEU 57 -9.423 18.109 -0.799 459 HD13 LEU 57 HD13 LEU 57 -10.537 18.809 0.394 460 HD21 LEU 57 HD21 LEU 57 -9.517 20.853 -3.202 461 HD22 LEU 57 HD22 LEU 57 -9.234 19.109 -2.997 462 HD23 LEU 57 HD23 LEU 57 -8.204 20.291 -2.176 463 H VAL 58 H VAL 58 -14.117 18.726 -3.677 464 HA VAL 58 HA VAL 58 -16.206 18.400 -1.661 465 HB VAL 58 HB VAL 58 -16.308 19.890 -3.673 466 HG11 VAL 58 HG11 VAL 58 -15.657 17.996 -5.249 467 HG12 VAL 58 HG12 VAL 58 -17.352 17.510 -5.220 468 HG13 VAL 58 HG13 VAL 58 -16.888 19.145 -5.790 469 HG21 VAL 58 HG21 VAL 58 -18.254 19.464 -2.257 470 HG22 VAL 58 HG22 VAL 58 -18.709 19.664 -3.958 471 HG23 VAL 58 HG23 VAL 58 -18.664 18.036 -3.251 472 H THR 59 H THR 59 -14.463 16.196 -3.778 473 HA THR 59 HA THR 59 -16.392 14.026 -3.425 474 HB THR 59 HB THR 59 -14.760 14.196 -5.345 475 HG1 THR 59 HG1 THR 59 -15.965 12.379 -5.039 476 HG21 THR 59 HG21 THR 59 -12.821 13.203 -3.227 477 HG22 THR 59 HG22 THR 59 -12.675 14.477 -4.422 478 HG23 THR 59 HG23 THR 59 -12.659 12.803 -4.949 479 H LEU 60 H LEU 60 -13.474 15.112 -1.784 480 HA LEU 60 HA LEU 60 -12.942 13.110 0.075 481 HB2 LEU 60 HB2 LEU 60 -12.724 16.044 0.213 482 HB3 LEU 60 HB3 LEU 60 -12.933 15.257 1.763 483 HG LEU 60 HG LEU 60 -10.645 15.615 1.323 484 HD11 LEU 60 HD11 LEU 60 -9.619 13.550 1.764 485 HD12 LEU 60 HD12 LEU 60 -10.964 12.614 1.070 486 HD13 LEU 60 HD13 LEU 60 -11.178 13.514 2.592 487 HD21 LEU 60 HD21 LEU 60 -9.414 14.399 -0.456 488 HD22 LEU 60 HD22 LEU 60 -10.474 15.708 -0.967 489 HD23 LEU 60 HD23 LEU 60 -11.009 14.024 -1.189 490 H TYR 61 H TYR 61 -15.388 15.654 0.589 491 HA TYR 61 HA TYR 61 -16.611 14.221 2.822 492 HB2 TYR 61 HB2 TYR 61 -17.823 16.003 3.280 493 HB3 TYR 61 HB3 TYR 61 -16.808 16.832 2.097 494 HD1 TYR 61 HD2 TYR 61 -20.142 15.397 2.835 495 HD2 TYR 61 HD1 TYR 61 -17.779 17.435 -0.122 496 HE1 TYR 61 HE2 TYR 61 -22.209 16.006 1.631 497 HE2 TYR 61 HE1 TYR 61 -19.859 17.989 -1.366 498 HH TYR 61 HH TYR 61 -22.149 17.802 -1.466 499 H ASP 62 H ASP 62 -17.371 14.433 -0.599 500 HA ASP 62 HA ASP 62 -19.875 13.137 -0.576 501 HB2 ASP 62 HB2 ASP 62 -18.769 14.261 -2.582 502 HB3 ASP 62 HB3 ASP 62 -17.919 12.722 -2.832 503 H ARG 63 H ARG 63 -16.735 11.631 0.004 504 HA ARG 63 HA ARG 63 -18.437 9.230 0.636 505 HB2 ARG 63 HB2 ARG 63 -15.642 9.110 -0.491 506 HB3 ARG 63 HB3 ARG 63 -16.384 7.759 0.352 507 HG2 ARG 63 HG2 ARG 63 -17.362 8.953 -2.263 508 HG3 ARG 63 HG3 ARG 63 -16.622 7.361 -1.947 509 HD2 ARG 63 HD2 ARG 63 -18.446 6.542 -0.779 510 HD3 ARG 63 HD3 ARG 63 -19.309 8.081 -0.769 511 HE ARG 63 HE ARG 63 -19.299 6.095 -2.850 512 HH11 ARG 63 HH11 ARG 63 -19.784 9.518 -2.291 513 HH12 ARG 63 HH12 ARG 63 -20.517 9.779 -3.835 514 HH21 ARG 63 HH21 ARG 63 -20.574 6.417 -4.679 515 HH22 ARG 63 HH22 ARG 63 -21.145 8.017 -5.039 516 H PHE 64 H PHE 64 -16.006 11.323 2.015 517 HA PHE 64 HA PHE 64 -15.568 9.669 4.328 518 HB2 PHE 64 HB2 PHE 64 -14.053 11.445 3.903 519 HB3 PHE 64 HB3 PHE 64 -15.367 12.621 3.803 520 HD1 PHE 64 HD2 PHE 64 -13.362 10.538 6.160 521 HD2 PHE 64 HD1 PHE 64 -16.347 13.591 5.768 522 HE1 PHE 64 HE2 PHE 64 -13.179 11.038 8.599 523 HE2 PHE 64 HE1 PHE 64 -16.240 14.052 8.185 524 HZ PHE 64 HZ PHE 64 -14.672 12.737 9.630 525 H ARG 65 H ARG 65 -17.977 12.362 3.835 526 HA ARG 65 HA ARG 65 -19.111 12.191 6.488 527 HB2 ARG 65 HB2 ARG 65 -19.855 13.420 3.788 528 HB3 ARG 65 HB3 ARG 65 -20.916 13.567 5.099 529 HG2 ARG 65 HG2 ARG 65 -18.111 14.605 5.036 530 HG3 ARG 65 HG3 ARG 65 -19.572 15.590 4.900 531 HD2 ARG 65 HD2 ARG 65 -18.725 14.018 7.311 532 HD3 ARG 65 HD3 ARG 65 -18.616 15.779 7.143 533 HE ARG 65 HE ARG 65 -21.318 14.940 6.702 534 HH11 ARG 65 HH11 ARG 65 -19.155 15.541 9.407 535 HH12 ARG 65 HH12 ARG 65 -20.452 15.384 10.560 536 HH21 ARG 65 HH21 ARG 65 -22.913 14.897 8.232 537 HH22 ARG 65 HH22 ARG 65 -22.516 15.128 9.906 538 H PHE 66 H PHE 66 -19.801 10.843 3.499 539 HA PHE 66 HA PHE 66 -22.311 9.502 4.259 540 HB2 PHE 66 HB2 PHE 66 -20.727 9.545 1.677 541 HB3 PHE 66 HB3 PHE 66 -22.208 8.637 1.890 542 HD1 PHE 66 HD2 PHE 66 -24.360 9.881 2.559 543 HD2 PHE 66 HD1 PHE 66 -20.812 11.883 1.157 544 HE1 PHE 66 HE2 PHE 66 -25.717 11.880 1.971 545 HE2 PHE 66 HE1 PHE 66 -22.172 13.853 0.517 546 HZ PHE 66 HZ PHE 66 -24.625 13.869 0.944 547 H GLU 67 H GLU 67 -19.213 8.109 3.013 548 HA GLU 67 HA GLU 67 -20.323 5.410 3.622 549 HB2 GLU 67 HB2 GLU 67 -18.495 6.455 1.396 550 HB3 GLU 67 HB3 GLU 67 -18.725 4.756 1.741 551 HG2 GLU 67 HG2 GLU 67 -20.904 6.739 0.958 552 HG3 GLU 67 HG3 GLU 67 -20.210 5.500 -0.078 553 H ASN 68 H ASN 68 -17.301 7.147 3.789 554 HA ASN 68 HA ASN 68 -16.020 4.926 5.302 555 HB2 ASN 68 HB2 ASN 68 -14.747 6.978 3.452 556 HB3 ASN 68 HB3 ASN 68 -13.853 5.832 4.437 557 HD21 ASN 68 HD21 ASN 68 -15.721 6.204 1.523 558 HD22 ASN 68 HD22 ASN 68 -15.540 4.530 0.982 559 H1 GLY 1 H1 GLY 1 -14.101 12.142 33.606 560 H2 GLY 1 H2 GLY 1 -13.679 11.072 32.441 561 H3 GLY 1 H3 GLY 1 -14.207 10.532 33.896 562 HA2 GLY 1 HA2 GLY 1 -15.946 10.271 32.264 563 HA3 GLY 1 HA3 GLY 1 -16.400 11.446 33.513 564 H SER 2 H SER 2 -17.890 12.422 32.055 565 HA SER 2 HA SER 2 -17.189 13.478 29.490 566 HB2 SER 2 HB2 SER 2 -19.464 14.272 31.344 567 HB3 SER 2 HB3 SER 2 -19.359 14.601 29.604 568 HG SER 2 HG SER 2 -20.618 12.728 30.071 569 H HIS 3 H HIS 3 -17.254 15.714 28.812 570 HA HIS 3 HA HIS 3 -16.554 17.800 30.776 571 HB2 HIS 3 HB2 HIS 3 -14.426 16.652 29.842 572 HB3 HIS 3 HB3 HIS 3 -14.813 17.420 28.300 573 HD1 HIS 3 HD1 HIS 3 -14.593 20.146 28.257 574 HD2 HIS 3 HD2 HIS 3 -13.575 18.202 31.856 575 HE1 HIS 3 HE1 HIS 3 -13.406 21.886 29.714 576 H MET 4 H MET 4 -16.663 19.985 29.832 577 HA MET 4 HA MET 4 -18.850 20.381 27.960 578 HB2 MET 4 HB2 MET 4 -18.353 21.902 29.859 579 HB3 MET 4 HB3 MET 4 -16.813 22.336 29.111 580 HG2 MET 4 HG2 MET 4 -18.502 24.054 28.740 581 HG3 MET 4 HG3 MET 4 -17.989 23.352 27.212 582 HE1 MET 4 HE1 MET 4 -20.029 24.515 26.005 583 HE2 MET 4 HE2 MET 4 -21.714 24.368 26.545 584 HE3 MET 4 HE3 MET 4 -20.529 25.220 27.559 585 H ARG 5 H ARG 5 -18.770 21.204 25.879 586 HA ARG 5 HA ARG 5 -16.171 21.216 24.395 587 HB2 ARG 5 HB2 ARG 5 -17.941 19.243 24.061 588 HB3 ARG 5 HB3 ARG 5 -18.762 20.408 23.057 589 HG2 ARG 5 HG2 ARG 5 -16.528 20.692 21.810 590 HG3 ARG 5 HG3 ARG 5 -15.945 19.315 22.688 591 HD2 ARG 5 HD2 ARG 5 -16.571 18.515 20.624 592 HD3 ARG 5 HD3 ARG 5 -17.691 17.879 21.805 593 HE ARG 5 HE ARG 5 -18.474 20.326 20.242 594 HH11 ARG 5 HH22 ARG 5 -19.103 16.924 20.802 595 HH12 ARG 5 HH21 ARG 5 -20.650 17.007 20.007 596 HH21 ARG 5 HH12 ARG 5 -20.350 20.351 19.202 597 HH22 ARG 5 HH11 ARG 5 -21.363 18.928 19.149 598 H MET 6 H MET 6 -16.031 22.770 22.704 599 HA MET 6 HA MET 6 -18.245 24.718 22.626 600 HB2 MET 6 HB2 MET 6 -15.293 25.296 22.328 601 HB3 MET 6 HB3 MET 6 -16.572 26.514 22.349 602 HG2 MET 6 HG2 MET 6 -15.855 24.700 24.675 603 HG3 MET 6 HG3 MET 6 -15.361 26.384 24.491 604 HE1 MET 6 HE1 MET 6 -16.225 27.042 26.876 605 HE2 MET 6 HE2 MET 6 -17.826 26.584 27.497 606 HE3 MET 6 HE3 MET 6 -16.627 25.327 27.116 607 H SER 7 H SER 7 -17.437 22.495 20.726 608 HA SER 7 HA SER 7 -17.208 22.016 18.607 609 HB2 SER 7 HB2 SER 7 -19.317 24.156 18.339 610 HB3 SER 7 HB3 SER 7 -18.923 22.977 17.071 611 HG SER 7 HG SER 7 -20.671 22.449 18.632 612 H LEU 8 H LEU 8 -17.625 25.470 17.589 613 HA LEU 8 HA LEU 8 -14.796 25.367 16.629 614 HB2 LEU 8 HB2 LEU 8 -16.794 26.605 14.782 615 HB3 LEU 8 HB3 LEU 8 -15.216 25.989 14.485 616 HG LEU 8 HG LEU 8 -17.392 23.989 15.173 617 HD11 LEU 8 HD11 LEU 8 -18.381 25.383 13.449 618 HD12 LEU 8 HD12 LEU 8 -17.926 23.797 12.815 619 HD13 LEU 8 HD13 LEU 8 -16.918 25.222 12.447 620 HD21 LEU 8 HD21 LEU 8 -14.979 23.981 13.332 621 HD22 LEU 8 HD22 LEU 8 -15.999 22.578 13.736 622 HD23 LEU 8 HD23 LEU 8 -14.983 23.330 14.989 623 H ILE 9 H ILE 9 -14.160 26.720 18.340 624 HA ILE 9 HA ILE 9 -15.295 29.342 18.695 625 HB ILE 9 HB ILE 9 -12.463 28.688 19.490 626 HG12 ILE 9 HG12 ILE 9 -14.863 27.487 20.906 627 HG13 ILE 9 HG13 ILE 9 -13.696 26.591 20.028 628 HG21 ILE 9 HG21 ILE 9 -14.735 30.079 20.966 629 HG22 ILE 9 HG22 ILE 9 -13.016 30.062 21.419 630 HG23 ILE 9 HG23 ILE 9 -13.526 30.905 19.961 631 HD11 ILE 9 HD11 ILE 9 -13.181 28.089 22.600 632 HD12 ILE 9 HD12 ILE 9 -13.135 26.344 22.293 633 HD13 ILE 9 HD13 ILE 9 -11.902 27.388 21.568 634 H GLY 10 H GLY 10 -12.549 28.018 16.919 635 HA2 GLY 10 HA2 GLY 10 -11.783 29.039 14.809 636 HA3 GLY 10 HA3 GLY 10 -12.068 30.620 15.497 637 H GLU 11 H GLU 11 -10.742 28.823 18.000 638 HA GLU 11 HA GLU 11 -7.903 28.948 17.115 639 HB2 GLU 11 HB2 GLU 11 -7.415 29.573 19.561 640 HB3 GLU 11 HB3 GLU 11 -7.675 30.822 18.355 641 HG2 GLU 11 HG2 GLU 11 -9.984 29.912 20.104 642 HG3 GLU 11 HG3 GLU 11 -8.746 30.968 20.760 643 H ARG 12 H ARG 12 -9.473 28.138 20.194 644 HA ARG 12 HA ARG 12 -9.538 26.295 21.458 645 HB2 ARG 12 HB2 ARG 12 -9.503 24.410 19.185 646 HB3 ARG 12 HB3 ARG 12 -10.341 24.425 20.706 647 HG2 ARG 12 HG2 ARG 12 -12.200 25.025 19.818 648 HG3 ARG 12 HG3 ARG 12 -11.544 26.541 19.240 649 HD2 ARG 12 HD2 ARG 12 -11.756 23.829 17.878 650 HD3 ARG 12 HD3 ARG 12 -12.430 25.360 17.311 651 HE ARG 12 HE ARG 12 -9.823 25.962 17.172 652 HH11 ARG 12 HH22 ARG 12 -11.155 22.907 16.072 653 HH12 ARG 12 HH21 ARG 12 -9.617 22.436 15.392 654 HH21 ARG 12 HH11 ARG 12 -8.216 25.514 15.933 655 HH22 ARG 12 HH12 ARG 12 -8.041 23.995 15.128 656 H PHE 13 H PHE 13 -6.967 27.187 21.166 657 HA PHE 13 HA PHE 13 -5.248 24.753 21.275 658 HB2 PHE 13 HB2 PHE 13 -3.529 26.623 21.981 659 HB3 PHE 13 HB3 PHE 13 -4.011 26.249 20.346 660 HD1 PHE 13 HD1 PHE 13 -5.824 28.372 22.874 661 HD2 PHE 13 HD2 PHE 13 -3.820 28.151 19.066 662 HE1 PHE 13 HE1 PHE 13 -6.261 30.797 22.509 663 HE2 PHE 13 HE2 PHE 13 -4.265 30.580 18.694 664 HZ PHE 13 HZ PHE 13 -5.459 31.905 20.429 665 H THR 14 H THR 14 -3.700 24.789 23.317 666 HA THR 14 HA THR 14 -4.766 23.123 24.954 667 HB THR 14 HB THR 14 -2.478 23.764 25.015 668 HG1 THR 14 HG1 THR 14 -3.116 22.537 26.717 669 HG21 THR 14 HG21 THR 14 -1.554 25.556 26.288 670 HG22 THR 14 HG22 THR 14 -3.140 26.072 26.872 671 HG23 THR 14 HG23 THR 14 -2.712 26.265 25.155 672 H GLU 15 H GLU 15 -5.249 26.561 26.080 673 HA GLU 15 HA GLU 15 -6.834 25.614 28.377 674 HB2 GLU 15 HB2 GLU 15 -6.338 28.397 27.249 675 HB3 GLU 15 HB3 GLU 15 -7.282 28.054 28.705 676 HG2 GLU 15 HG2 GLU 15 -5.285 26.932 29.714 677 HG3 GLU 15 HG3 GLU 15 -4.332 27.415 28.310 678 H GLU 16 H GLU 16 -7.509 26.603 25.141 679 HA GLU 16 HA GLU 16 -10.465 26.602 25.467 680 HB2 GLU 16 HB2 GLU 16 -8.750 27.563 23.149 681 HB3 GLU 16 HB3 GLU 16 -10.489 27.745 23.315 682 HG2 GLU 16 HG2 GLU 16 -8.334 29.115 24.967 683 HG3 GLU 16 HG3 GLU 16 -9.366 29.847 23.752 684 H GLU 17 H GLU 17 -7.846 24.646 24.330 685 HA GLU 17 HA GLU 17 -8.963 23.038 22.423 686 HB2 GLU 17 HB2 GLU 17 -6.648 23.039 23.480 687 HB3 GLU 17 HB3 GLU 17 -7.306 21.987 24.740 688 HG2 GLU 17 HG2 GLU 17 -7.808 20.272 23.015 689 HG3 GLU 17 HG3 GLU 17 -7.277 21.392 21.759 690 H GLN 18 H GLN 18 -10.151 22.967 25.633 691 HA GLN 18 HA GLN 18 -11.146 20.650 26.174 692 HB2 GLN 18 HB2 GLN 18 -13.000 21.395 27.331 693 HB3 GLN 18 HB3 GLN 18 -11.884 22.736 27.436 694 HG2 GLN 18 HG2 GLN 18 -14.334 22.574 25.632 695 HG3 GLN 18 HG3 GLN 18 -14.151 23.440 27.174 696 HE21 GLN 18 HE22 GLN 18 -13.845 23.768 23.797 697 HE22 GLN 18 HE21 GLN 18 -12.655 25.075 23.790 698 H LYS 19 H LYS 19 -12.462 22.402 23.527 699 HA LYS 19 HA LYS 19 -14.460 20.699 22.515 700 HB2 LYS 19 HB2 LYS 19 -13.982 22.822 21.489 701 HB3 LYS 19 HB3 LYS 19 -12.320 22.452 21.375 702 HG2 LYS 19 HG2 LYS 19 -13.740 22.579 19.281 703 HG3 LYS 19 HG3 LYS 19 -12.388 21.445 19.512 704 HD2 LYS 19 HD2 LYS 19 -13.522 19.628 19.384 705 HD3 LYS 19 HD3 LYS 19 -14.956 20.247 20.121 706 HE2 LYS 19 HE2 LYS 19 -15.123 19.461 17.657 707 HE3 LYS 19 HE3 LYS 19 -15.761 21.055 17.975 708 HZ1 LYS 19 HZ1 LYS 19 -13.007 20.672 16.924 709 HZ2 LYS 19 HZ2 LYS 19 -13.910 22.067 17.027 710 HZ3 LYS 19 HZ3 LYS 19 -14.317 20.911 15.968 711 H LEU 20 H LEU 20 -11.023 20.528 21.730 712 HA LEU 20 HA LEU 20 -11.254 18.136 20.109 713 HB2 LEU 20 HB2 LEU 20 -8.816 19.655 21.158 714 HB3 LEU 20 HB3 LEU 20 -8.778 18.449 19.933 715 HG LEU 20 HG LEU 20 -8.529 20.277 18.707 716 HD11 LEU 20 HD11 LEU 20 -10.554 20.650 17.386 717 HD12 LEU 20 HD12 LEU 20 -11.532 19.788 18.591 718 HD13 LEU 20 HD13 LEU 20 -10.272 18.928 17.715 719 HD21 LEU 20 HD21 LEU 20 -10.481 21.719 20.537 720 HD22 LEU 20 HD22 LEU 20 -9.871 22.340 18.989 721 HD23 LEU 20 HD23 LEU 20 -8.761 21.934 20.311 722 H LEU 21 H LEU 21 -10.221 19.034 23.300 723 HA LEU 21 HA LEU 21 -9.208 16.521 24.294 724 HB2 LEU 21 HB2 LEU 21 -8.700 17.920 25.986 725 HB3 LEU 21 HB3 LEU 21 -9.848 19.125 25.447 726 HG LEU 21 HG LEU 21 -11.666 17.911 26.566 727 HD11 LEU 21 HD11 LEU 21 -11.290 16.045 28.071 728 HD12 LEU 21 HD12 LEU 21 -9.550 16.382 28.191 729 HD13 LEU 21 HD13 LEU 21 -10.174 15.616 26.768 730 HD21 LEU 21 HD21 LEU 21 -10.816 19.679 27.882 731 HD22 LEU 21 HD22 LEU 21 -9.686 18.564 28.674 732 HD23 LEU 21 HD23 LEU 21 -11.469 18.299 28.745 733 H LEU 22 H LEU 22 -12.616 17.943 24.133 734 HA LEU 22 HA LEU 22 -13.463 15.833 25.848 735 HB2 LEU 22 HB2 LEU 22 -14.755 17.785 25.812 736 HB3 LEU 22 HB3 LEU 22 -14.968 17.780 24.072 737 HG LEU 22 HG LEU 22 -16.993 17.313 25.418 738 HD11 LEU 22 HD11 LEU 22 -17.980 15.772 24.000 739 HD12 LEU 22 HD12 LEU 22 -16.502 14.844 23.755 740 HD13 LEU 22 HD13 LEU 22 -16.661 16.443 23.020 741 HD21 LEU 22 HD21 LEU 22 -17.356 15.112 26.428 742 HD22 LEU 22 HD22 LEU 22 -15.994 15.946 27.194 743 HD23 LEU 22 HD23 LEU 22 -15.682 14.642 26.063 744 H ASN 23 H ASN 23 -13.633 16.518 22.433 745 HA ASN 23 HA ASN 23 -14.811 14.303 21.219 746 HB2 ASN 23 HB2 ASN 23 -12.823 16.496 20.491 747 HB3 ASN 23 HB3 ASN 23 -13.151 15.303 19.344 748 HD21 ASN 23 HD21 ASN 23 -13.790 17.877 18.881 749 HD22 ASN 23 HD22 ASN 23 -15.547 18.020 18.832 750 H ILE 24 H ILE 24 -11.337 14.625 22.084 751 HA ILE 24 HA ILE 24 -10.817 11.940 20.932 752 HB ILE 24 HB ILE 24 -8.634 12.002 21.808 753 HG12 ILE 24 HG12 ILE 24 -9.406 14.491 23.296 754 HG13 ILE 24 HG13 ILE 24 -8.920 12.965 23.972 755 HG21 ILE 24 HG21 ILE 24 -7.710 13.809 20.487 756 HG22 ILE 24 HG22 ILE 24 -9.086 13.074 19.678 757 HG23 ILE 24 HG23 ILE 24 -9.273 14.643 20.470 758 HD11 ILE 24 HD11 ILE 24 -7.140 14.918 22.465 759 HD12 ILE 24 HD12 ILE 24 -7.084 14.498 24.183 760 HD13 ILE 24 HD13 ILE 24 -6.634 13.283 22.968 761 H LEU 25 H LEU 25 -11.744 13.196 24.063 762 HA LEU 25 HA LEU 25 -11.007 10.858 25.515 763 HB2 LEU 25 HB2 LEU 25 -11.075 13.159 26.403 764 HB3 LEU 25 HB3 LEU 25 -12.832 13.172 26.259 765 HG LEU 25 HG LEU 25 -12.997 11.367 27.953 766 HD11 LEU 25 HD11 LEU 25 -9.961 11.665 28.086 767 HD12 LEU 25 HD12 LEU 25 -10.863 10.202 27.632 768 HD13 LEU 25 HD13 LEU 25 -10.950 10.803 29.290 769 HD21 LEU 25 HD21 LEU 25 -13.031 13.748 28.631 770 HD22 LEU 25 HD22 LEU 25 -11.264 13.711 28.839 771 HD23 LEU 25 HD23 LEU 25 -12.311 12.719 29.877 772 H ILE 26 H ILE 26 -14.005 11.855 23.938 773 HA ILE 26 HA ILE 26 -15.637 9.690 25.027 774 HB ILE 26 HB ILE 26 -17.384 10.474 23.538 775 HG12 ILE 26 HG12 ILE 26 -15.488 12.597 22.490 776 HG13 ILE 26 HG13 ILE 26 -15.793 11.096 21.618 777 HG21 ILE 26 HG21 ILE 26 -17.071 11.526 25.717 778 HG22 ILE 26 HG22 ILE 26 -16.010 12.744 25.000 779 HG23 ILE 26 HG23 ILE 26 -17.717 12.674 24.541 780 HD11 ILE 26 HD11 ILE 26 -18.218 11.619 21.546 781 HD12 ILE 26 HD12 ILE 26 -17.885 13.192 22.313 782 HD13 ILE 26 HD13 ILE 26 -17.212 12.826 20.717 783 H ASN 27 H ASN 27 -17.075 8.673 23.059 784 HA ASN 27 HA ASN 27 -15.623 6.377 22.394 785 HB2 ASN 27 HB2 ASN 27 -17.683 5.702 21.241 786 HB3 ASN 27 HB3 ASN 27 -18.024 6.403 22.818 787 HD21 ASN 27 HD21 ASN 27 -19.395 8.273 22.891 788 HD22 ASN 27 HD22 ASN 27 -20.035 8.986 21.424 789 H HIS 28 H HIS 28 -16.094 9.212 20.310 790 HA HIS 28 HA HIS 28 -14.231 8.001 18.378 791 HB2 HIS 28 HB2 HIS 28 -16.597 7.469 17.622 792 HB3 HIS 28 HB3 HIS 28 -16.863 9.204 17.433 793 HD1 HIS 28 HD1 HIS 28 -16.258 10.052 14.964 794 HD2 HIS 28 HD2 HIS 28 -14.302 6.508 16.180 795 HE1 HIS 28 HE1 HIS 28 -14.834 9.309 13.009 796 H GLU 29 H GLU 29 -13.038 9.397 17.162 797 HA GLU 29 HA GLU 29 -12.413 11.923 18.378 798 HB2 GLU 29 HB2 GLU 29 -10.791 10.288 17.499 799 HB3 GLU 29 HB3 GLU 29 -11.345 10.600 15.853 800 HG2 GLU 29 HG2 GLU 29 -10.580 12.948 16.034 801 HG3 GLU 29 HG3 GLU 29 -10.156 12.696 17.722 802 H TYR 30 H TYR 30 -14.368 13.052 18.142 803 HA TYR 30 HA TYR 30 -15.788 13.191 15.796 804 HB2 TYR 30 HB2 TYR 30 -16.637 13.425 18.100 805 HB3 TYR 30 HB3 TYR 30 -15.910 15.024 18.170 806 HD1 TYR 30 HD1 TYR 30 -18.111 13.235 15.669 807 HD2 TYR 30 HD2 TYR 30 -17.549 16.714 18.148 808 HE1 TYR 30 HE1 TYR 30 -20.196 14.230 14.759 809 HE2 TYR 30 HE2 TYR 30 -19.600 17.707 17.240 810 HH TYR 30 HH TYR 30 -21.402 17.440 15.818 811 H ALA 31 H ALA 31 -13.670 15.938 16.952 812 HA ALA 31 HA ALA 31 -14.375 18.005 15.609 813 HB1 ALA 31 HB1 ALA 31 -12.465 17.941 17.008 814 HB2 ALA 31 HB2 ALA 31 -11.546 16.968 15.816 815 HB3 ALA 31 HB3 ALA 31 -11.984 18.639 15.436 816 H ILE 32 H ILE 32 -12.456 15.489 13.911 817 HA ILE 32 HA ILE 32 -12.172 16.778 11.456 818 HB ILE 32 HB ILE 32 -12.261 13.862 12.256 819 HG12 ILE 32 HG12 ILE 32 -9.812 13.910 11.794 820 HG13 ILE 32 HG13 ILE 32 -9.908 15.638 11.462 821 HG21 ILE 32 HG21 ILE 32 -12.804 14.009 9.812 822 HG22 ILE 32 HG22 ILE 32 -11.316 14.947 9.590 823 HG23 ILE 32 HG23 ILE 32 -11.277 13.240 10.151 824 HD11 ILE 32 HD11 ILE 32 -10.716 14.408 14.123 825 HD12 ILE 32 HD12 ILE 32 -9.052 14.887 13.761 826 HD13 ILE 32 HD13 ILE 32 -10.325 16.119 13.775 827 H GLU 33 H GLU 33 -14.830 14.719 12.572 828 HA GLU 33 HA GLU 33 -16.351 14.545 10.169 829 HB2 GLU 33 HB2 GLU 33 -17.340 14.681 13.035 830 HB3 GLU 33 HB3 GLU 33 -18.308 14.209 11.639 831 HG2 GLU 33 HG2 GLU 33 -16.788 12.305 11.199 832 HG3 GLU 33 HG3 GLU 33 -15.789 12.763 12.578 833 H LEU 34 H LEU 34 -16.267 17.109 12.652 834 HA LEU 34 HA LEU 34 -18.142 18.855 11.393 835 HB2 LEU 34 HB2 LEU 34 -15.816 19.507 13.281 836 HB3 LEU 34 HB3 LEU 34 -17.116 20.587 12.805 837 HG LEU 34 HG LEU 34 -18.743 18.944 13.990 838 HD11 LEU 34 HD11 LEU 34 -17.103 17.801 15.858 839 HD12 LEU 34 HD12 LEU 34 -16.135 17.611 14.421 840 HD13 LEU 34 HD13 LEU 34 -17.762 16.942 14.447 841 HD21 LEU 34 HD21 LEU 34 -17.936 21.089 14.936 842 HD22 LEU 34 HD22 LEU 34 -16.488 20.245 15.538 843 HD23 LEU 34 HD23 LEU 34 -18.104 19.843 16.184 844 H LEU 35 H LEU 35 -14.539 18.544 11.081 845 HA LEU 35 HA LEU 35 -14.064 20.819 9.458 846 HB2 LEU 35 HB2 LEU 35 -12.376 19.192 10.464 847 HB3 LEU 35 HB3 LEU 35 -12.731 18.062 9.189 848 HG LEU 35 HG LEU 35 -11.536 20.817 8.726 849 HD11 LEU 35 HD11 LEU 35 -10.246 18.049 8.707 850 HD12 LEU 35 HD12 LEU 35 -10.055 19.242 10.006 851 HD13 LEU 35 HD13 LEU 35 -9.457 19.609 8.386 852 HD21 LEU 35 HD21 LEU 35 -11.928 18.443 6.870 853 HD22 LEU 35 HD22 LEU 35 -10.827 19.798 6.533 854 HD23 LEU 35 HD23 LEU 35 -12.546 20.098 6.660 855 H SER 36 H SER 36 -14.691 17.436 8.269 856 HA SER 36 HA SER 36 -14.854 18.175 5.544 857 HB2 SER 36 HB2 SER 36 -14.542 15.870 6.522 858 HB3 SER 36 HB3 SER 36 -16.293 15.852 6.810 859 HG SER 36 HG SER 36 -14.900 16.061 4.334 860 H SER 37 H SER 37 -17.427 17.978 8.038 861 HA SER 37 HA SER 37 -19.607 18.409 6.305 862 HB2 SER 37 HB2 SER 37 -19.730 17.750 8.713 863 HB3 SER 37 HB3 SER 37 -19.381 19.428 9.164 864 HG SER 37 HG SER 37 -21.644 18.992 9.080 865 H GLU 38 H GLU 38 -17.544 20.631 8.117 866 HA GLU 38 HA GLU 38 -18.757 23.152 7.496 867 HB2 GLU 38 HB2 GLU 38 -16.097 22.229 8.618 868 HB3 GLU 38 HB3 GLU 38 -16.212 23.871 8.145 869 HG2 GLU 38 HG2 GLU 38 -18.092 22.512 10.124 870 HG3 GLU 38 HG3 GLU 38 -16.700 23.504 10.547 871 H ILE 39 H ILE 39 -15.842 21.590 6.082 872 HA ILE 39 HA ILE 39 -15.290 23.733 4.296 873 HB ILE 39 HB ILE 39 -13.982 22.117 2.995 874 HG12 ILE 39 HG12 ILE 39 -13.611 19.905 4.595 875 HG13 ILE 39 HG13 ILE 39 -15.350 20.126 4.663 876 HG21 ILE 39 HG21 ILE 39 -12.297 21.801 4.811 877 HG22 ILE 39 HG22 ILE 39 -13.046 23.406 4.852 878 HG23 ILE 39 HG23 ILE 39 -13.560 22.159 6.008 879 HD11 ILE 39 HD11 ILE 39 -15.384 20.066 2.124 880 HD12 ILE 39 HD12 ILE 39 -13.629 19.828 2.155 881 HD13 ILE 39 HD13 ILE 39 -14.704 18.593 2.841 882 H ASN 40 H ASN 40 -17.196 20.702 3.861 883 HA ASN 40 HA ASN 40 -17.904 21.496 1.179 884 HB2 ASN 40 HB2 ASN 40 -19.042 19.624 0.912 885 HB3 ASN 40 HB3 ASN 40 -17.946 19.121 2.193 886 HD21 ASN 40 HD21 ASN 40 -18.859 18.528 4.162 887 HD22 ASN 40 HD22 ASN 40 -20.599 18.450 4.423 888 H ASP 41 H ASP 41 -19.361 22.462 4.229 889 HA ASP 41 HA ASP 41 -21.862 23.422 3.065 890 HB2 ASP 41 HB2 ASP 41 -21.330 22.977 5.538 891 HB3 ASP 41 HB3 ASP 41 -20.487 24.528 5.525 892 H ILE 42 H ILE 42 -18.576 24.659 3.366 893 HA ILE 42 HA ILE 42 -19.326 27.284 2.184 894 HB ILE 42 HB ILE 42 -16.748 26.080 3.172 895 HG12 ILE 42 HG12 ILE 42 -16.754 28.081 4.596 896 HG13 ILE 42 HG13 ILE 42 -18.182 28.714 3.780 897 HG21 ILE 42 HG21 ILE 42 -16.999 28.662 1.564 898 HG22 ILE 42 HG22 ILE 42 -15.584 28.183 2.526 899 HG23 ILE 42 HG23 ILE 42 -16.048 27.223 1.125 900 HD11 ILE 42 HD11 ILE 42 -19.542 26.851 4.713 901 HD12 ILE 42 HD12 ILE 42 -18.085 26.186 5.454 902 HD13 ILE 42 HD13 ILE 42 -18.755 27.746 5.982 903 H GLU 43 H GLU 43 -17.585 24.422 1.096 904 HA GLU 43 HA GLU 43 -16.918 25.320 -1.492 905 HB2 GLU 43 HB2 GLU 43 -16.092 23.258 -0.214 906 HB3 GLU 43 HB3 GLU 43 -17.530 22.429 -0.759 907 HG2 GLU 43 HG2 GLU 43 -15.729 21.807 -2.191 908 HG3 GLU 43 HG3 GLU 43 -16.839 22.794 -3.129 909 H THR 44 H THR 44 -19.680 23.264 -0.602 910 HA THR 44 HA THR 44 -20.986 23.881 -3.241 911 HB THR 44 HB THR 44 -20.058 21.641 -3.231 912 HG1 THR 44 HG1 THR 44 -21.905 21.958 -4.414 913 HG21 THR 44 HG21 THR 44 -21.929 21.084 -0.893 914 HG22 THR 44 HG22 THR 44 -20.153 20.961 -0.914 915 HG23 THR 44 HG23 THR 44 -21.128 19.854 -1.886 916 H GLY 45 H GLY 45 -21.637 23.327 0.243 917 HA2 GLY 45 HA2 GLY 45 -24.400 24.029 0.157 918 HA3 GLY 45 HA3 GLY 45 -23.309 24.277 1.520 919 H THR 46 H THR 46 -21.639 26.056 -0.419 920 HA THR 46 HA THR 46 -21.338 28.190 -0.943 921 HB THR 46 HB THR 46 -23.018 29.381 -2.320 922 HG1 THR 46 HG1 THR 46 -24.806 28.227 -3.012 923 HG21 THR 46 HG21 THR 46 -22.813 27.870 -4.223 924 HG22 THR 46 HG22 THR 46 -22.416 26.515 -3.145 925 HG23 THR 46 HG23 THR 46 -21.309 27.895 -3.291 926 H LYS 47 H LYS 47 -21.700 27.907 1.605 927 HA LYS 47 HA LYS 47 -23.259 29.918 2.913 928 HB2 LYS 47 HB2 LYS 47 -20.569 28.634 3.545 929 HB3 LYS 47 HB3 LYS 47 -21.232 29.881 4.575 930 HG2 LYS 47 HG2 LYS 47 -22.448 27.157 4.054 931 HG3 LYS 47 HG3 LYS 47 -21.763 27.788 5.544 932 HD2 LYS 47 HD2 LYS 47 -23.886 28.267 6.095 933 HD3 LYS 47 HD3 LYS 47 -23.668 29.690 5.133 934 HE2 LYS 47 HE2 LYS 47 -25.703 28.834 4.338 935 HE3 LYS 47 HE3 LYS 47 -24.548 28.266 3.126 936 HZ1 LYS 47 HZ1 LYS 47 -25.616 26.653 5.380 937 HZ2 LYS 47 HZ2 LYS 47 -24.511 26.104 4.316 938 HZ3 LYS 47 HZ3 LYS 47 -26.018 26.480 3.804 939 H ASN 48 H ASN 48 -22.594 31.879 3.923 940 HA ASN 48 HA ASN 48 -20.704 33.547 2.364 941 HB2 ASN 48 HB2 ASN 48 -23.679 34.198 2.639 942 HB3 ASN 48 HB3 ASN 48 -22.447 35.300 2.033 943 HD21 ASN 48 HD21 ASN 48 -21.046 34.104 0.120 944 HD22 ASN 48 HD22 ASN 48 -22.110 33.419 -1.095 945 H VAL 49 H VAL 49 -19.433 34.256 3.954 946 HA VAL 49 HA VAL 49 -20.404 36.150 5.882 947 HB VAL 49 HB VAL 49 -20.943 34.147 7.163 948 HG11 VAL 49 HG11 VAL 49 -18.017 33.398 7.010 949 HG12 VAL 49 HG12 VAL 49 -19.265 32.589 7.986 950 HG13 VAL 49 HG13 VAL 49 -19.354 32.532 6.220 951 HG21 VAL 49 HG21 VAL 49 -19.877 34.608 9.234 952 HG22 VAL 49 HG22 VAL 49 -18.492 35.379 8.448 953 HG23 VAL 49 HG23 VAL 49 -20.099 36.151 8.390 954 H ASP 50 H ASP 50 -18.592 37.108 7.101 955 HA ASP 50 HA ASP 50 -16.126 37.552 5.645 956 HB2 ASP 50 HB2 ASP 50 -17.481 39.148 7.130 957 HB3 ASP 50 HB3 ASP 50 -16.865 38.245 8.511 958 H GLY 51 H GLY 51 -14.092 37.498 7.449 959 HA2 GLY 51 HA2 GLY 51 -12.920 35.105 7.328 960 HA3 GLY 51 HA3 GLY 51 -12.544 36.249 8.596 961 H THR 52 H THR 52 -15.554 35.448 9.483 962 HA THR 52 HA THR 52 -14.969 33.795 11.687 963 HB THR 52 HB THR 52 -17.509 33.972 10.012 964 HG1 THR 52 HG1 THR 52 -18.086 35.483 11.603 965 HG21 THR 52 HG21 THR 52 -17.557 32.013 11.503 966 HG22 THR 52 HG22 THR 52 -18.653 33.274 12.091 967 HG23 THR 52 HG23 THR 52 -17.064 33.041 12.868 968 H THR 53 H THR 53 -16.554 32.580 8.607 969 HA THR 53 HA THR 53 -16.076 29.899 9.390 970 HB THR 53 HB THR 53 -17.873 30.668 7.855 971 HG1 THR 53 HG1 THR 53 -17.397 28.517 8.049 972 HG21 THR 53 HG21 THR 53 -15.811 30.478 5.619 973 HG22 THR 53 HG22 THR 53 -16.389 32.030 6.263 974 HG23 THR 53 HG23 THR 53 -17.525 30.901 5.502 975 H TYR 54 H TYR 54 -14.219 32.011 7.261 976 HA TYR 54 HA TYR 54 -12.231 30.283 6.243 977 HB2 TYR 54 HB2 TYR 54 -11.989 33.094 7.409 978 HB3 TYR 54 HB3 TYR 54 -10.690 32.270 6.600 979 HD1 TYR 54 HD1 TYR 54 -14.148 33.637 6.023 980 HD2 TYR 54 HD2 TYR 54 -10.500 32.173 4.238 981 HE1 TYR 54 HE1 TYR 54 -14.923 34.428 3.801 982 HE2 TYR 54 HE2 TYR 54 -11.281 32.966 2.009 983 HH TYR 54 HH TYR 54 -12.948 34.010 0.835 984 H LYS 55 H LYS 55 -12.123 32.148 9.351 985 HA LYS 55 HA LYS 55 -9.921 30.872 10.349 986 HB2 LYS 55 HB2 LYS 55 -10.769 33.090 10.965 987 HB3 LYS 55 HB3 LYS 55 -12.140 32.399 11.746 988 HG2 LYS 55 HG2 LYS 55 -10.472 32.570 13.571 989 HG3 LYS 55 HG3 LYS 55 -10.171 30.951 13.031 990 HD2 LYS 55 HD2 LYS 55 -8.658 32.231 11.179 991 HD3 LYS 55 HD3 LYS 55 -8.614 33.462 12.432 992 HE2 LYS 55 HE2 LYS 55 -7.861 31.736 14.106 993 HE3 LYS 55 HE3 LYS 55 -7.805 30.540 12.808 994 HZ1 LYS 55 HZ1 LYS 55 -5.615 31.524 13.200 995 HZ2 LYS 55 HZ2 LYS 55 -6.174 33.028 12.912 996 HZ3 LYS 55 HZ3 LYS 55 -6.118 31.933 11.700 997 H LYS 56 H LYS 56 -13.351 30.037 11.075 998 HA LYS 56 HA LYS 56 -12.860 27.797 12.777 999 HB2 LYS 56 HB2 LYS 56 -15.096 28.464 10.897 1000 HB3 LYS 56 HB3 LYS 56 -14.977 26.866 11.636 1001 HG2 LYS 56 HG2 LYS 56 -16.271 28.005 13.149 1002 HG3 LYS 56 HG3 LYS 56 -14.664 28.071 13.892 1003 HD2 LYS 56 HD2 LYS 56 -14.384 30.396 13.127 1004 HD3 LYS 56 HD3 LYS 56 -16.037 30.354 12.443 1005 HE2 LYS 56 HE2 LYS 56 -17.004 29.943 14.614 1006 HE3 LYS 56 HE3 LYS 56 -15.422 29.630 15.323 1007 HZ1 LYS 56 HZ1 LYS 56 -16.190 31.814 15.932 1008 HZ2 LYS 56 HZ2 LYS 56 -16.316 32.294 14.377 1009 HZ3 LYS 56 HZ3 LYS 56 -14.847 31.954 15.040 1010 H LEU 57 H LEU 57 -12.913 27.692 9.148 1011 HA LEU 57 HA LEU 57 -12.182 24.868 9.347 1012 HB2 LEU 57 HB2 LEU 57 -12.597 24.616 7.224 1013 HB3 LEU 57 HB3 LEU 57 -13.848 25.689 7.808 1014 HG LEU 57 HG LEU 57 -12.321 27.609 6.765 1015 HD11 LEU 57 HD11 LEU 57 -10.415 26.231 6.023 1016 HD12 LEU 57 HD12 LEU 57 -11.278 26.864 4.627 1017 HD13 LEU 57 HD13 LEU 57 -11.511 25.178 5.107 1018 HD21 LEU 57 HD21 LEU 57 -14.610 27.077 6.059 1019 HD22 LEU 57 HD22 LEU 57 -14.012 25.724 5.071 1020 HD23 LEU 57 HD23 LEU 57 -13.586 27.400 4.656 1021 H VAL 58 H VAL 58 -10.307 27.809 8.757 1022 HA VAL 58 HA VAL 58 -7.946 26.223 8.081 1023 HB VAL 58 HB VAL 58 -8.455 28.582 7.283 1024 HG11 VAL 58 HG11 VAL 58 -6.999 29.512 9.778 1025 HG12 VAL 58 HG12 VAL 58 -7.900 30.461 8.560 1026 HG13 VAL 58 HG13 VAL 58 -8.757 29.422 9.701 1027 HG21 VAL 58 HG21 VAL 58 -6.342 27.450 6.819 1028 HG22 VAL 58 HG22 VAL 58 -6.097 29.178 7.114 1029 HG23 VAL 58 HG23 VAL 58 -5.687 28.004 8.381 1030 H THR 59 H THR 59 -9.445 27.301 11.068 1031 HA THR 59 HA THR 59 -7.065 26.817 12.702 1032 HB THR 59 HB THR 59 -8.977 28.308 13.359 1033 HG1 THR 59 HG1 THR 59 -8.338 28.125 15.276 1034 HG21 THR 59 HG21 THR 59 -10.944 27.212 13.216 1035 HG22 THR 59 HG22 THR 59 -10.626 27.019 14.930 1036 HG23 THR 59 HG23 THR 59 -10.393 25.672 13.795 1037 H LEU 60 H LEU 60 -9.928 24.954 11.678 1038 HA LEU 60 HA LEU 60 -9.564 22.507 12.956 1039 HB2 LEU 60 HB2 LEU 60 -10.588 23.251 10.298 1040 HB3 LEU 60 HB3 LEU 60 -9.939 21.629 10.368 1041 HG LEU 60 HG LEU 60 -12.262 21.587 10.728 1042 HD11 LEU 60 HD11 LEU 60 -12.526 20.231 12.593 1043 HD12 LEU 60 HD12 LEU 60 -11.149 20.957 13.466 1044 HD13 LEU 60 HD13 LEU 60 -10.879 19.925 12.045 1045 HD21 LEU 60 HD21 LEU 60 -12.805 23.669 11.535 1046 HD22 LEU 60 HD22 LEU 60 -11.822 23.481 13.010 1047 HD23 LEU 60 HD23 LEU 60 -13.312 22.511 12.766 1048 H TYR 61 H TYR 61 -7.890 23.383 9.948 1049 HA TYR 61 HA TYR 61 -5.983 21.174 10.008 1050 HB2 TYR 61 HB2 TYR 61 -5.563 21.833 7.949 1051 HB3 TYR 61 HB3 TYR 61 -6.639 23.192 8.142 1052 HD1 TYR 61 HD1 TYR 61 -3.157 21.982 8.401 1053 HD2 TYR 61 HD2 TYR 61 -5.671 25.444 8.134 1054 HE1 TYR 61 HE1 TYR 61 -1.145 23.399 7.956 1055 HE2 TYR 61 HE2 TYR 61 -3.670 26.880 7.754 1056 HH TYR 61 HH TYR 61 -1.388 26.946 7.529 1057 H ASP 62 H ASP 62 -5.741 24.401 11.099 1058 HA ASP 62 HA ASP 62 -2.964 24.506 11.727 1059 HB2 ASP 62 HB2 ASP 62 -4.444 26.507 11.519 1060 HB3 ASP 62 HB3 ASP 62 -5.121 26.115 13.109 1061 H ARG 63 H ARG 63 -5.573 23.054 13.581 1062 HA ARG 63 HA ARG 63 -3.437 22.137 15.506 1063 HB2 ARG 63 HB2 ARG 63 -6.051 23.277 16.020 1064 HB3 ARG 63 HB3 ARG 63 -5.946 21.703 16.782 1065 HG2 ARG 63 HG2 ARG 63 -4.187 22.247 18.167 1066 HG3 ARG 63 HG3 ARG 63 -3.547 23.493 17.114 1067 HD2 ARG 63 HD2 ARG 63 -6.048 23.670 18.794 1068 HD3 ARG 63 HD3 ARG 63 -4.492 24.429 19.171 1069 HE ARG 63 HE ARG 63 -6.542 25.603 17.680 1070 HH11 ARG 63 HH22 ARG 63 -3.037 25.368 17.216 1071 HH12 ARG 63 HH21 ARG 63 -3.135 26.541 15.904 1072 HH21 ARG 63 HH11 ARG 63 -6.419 27.039 15.924 1073 HH22 ARG 63 HH12 ARG 63 -4.810 27.413 15.317 1074 H PHE 64 H PHE 64 -6.093 20.908 13.559 1075 HA PHE 64 HA PHE 64 -5.975 18.187 14.315 1076 HB2 PHE 64 HB2 PHE 64 -7.617 18.735 12.709 1077 HB3 PHE 64 HB3 PHE 64 -6.432 19.538 11.666 1078 HD1 PHE 64 HD2 PHE 64 -7.350 16.101 12.882 1079 HD2 PHE 64 HD1 PHE 64 -5.437 18.485 9.859 1080 HE1 PHE 64 HE2 PHE 64 -6.992 14.067 11.493 1081 HE2 PHE 64 HE1 PHE 64 -5.037 16.461 8.477 1082 HZ PHE 64 HZ PHE 64 -5.806 14.237 9.316 1083 H ARG 65 H ARG 65 -3.887 19.730 11.752 1084 HA ARG 65 HA ARG 65 -2.620 17.102 11.443 1085 HB2 ARG 65 HB2 ARG 65 -1.792 17.768 9.530 1086 HB3 ARG 65 HB3 ARG 65 -3.256 18.764 9.665 1087 HG2 ARG 65 HG2 ARG 65 -2.061 20.744 9.960 1088 HG3 ARG 65 HG3 ARG 65 -0.490 19.888 10.047 1089 HD2 ARG 65 HD2 ARG 65 -2.401 19.931 7.665 1090 HD3 ARG 65 HD3 ARG 65 -0.925 20.876 7.788 1091 HE ARG 65 HE ARG 65 -1.167 17.934 7.338 1092 HH11 ARG 65 HH11 ARG 65 1.152 20.553 7.773 1093 HH12 ARG 65 HH12 ARG 65 2.446 19.566 7.153 1094 HH21 ARG 65 HH21 ARG 65 0.385 16.829 6.643 1095 HH22 ARG 65 HH22 ARG 65 2.036 17.448 6.501 1096 H PHE 66 H PHE 66 -1.606 20.146 12.430 1097 HA PHE 66 HA PHE 66 1.084 19.606 13.267 1098 HB2 PHE 66 HB2 PHE 66 -0.945 21.710 14.029 1099 HB3 PHE 66 HB3 PHE 66 0.690 21.717 14.679 1100 HD1 PHE 66 HD2 PHE 66 2.663 21.666 12.960 1101 HD2 PHE 66 HD1 PHE 66 -1.379 22.793 11.966 1102 HE1 PHE 66 HE2 PHE 66 3.501 22.941 10.997 1103 HE2 PHE 66 HE1 PHE 66 -0.526 24.151 10.073 1104 HZ PHE 66 HZ PHE 66 1.905 24.196 9.556 1105 H GLU 67 H GLU 67 -1.828 19.834 15.424 1106 HA GLU 67 HA GLU 67 -0.056 19.075 17.691 1107 HB2 GLU 67 HB2 GLU 67 -2.678 20.595 17.587 1108 HB3 GLU 67 HB3 GLU 67 -1.795 20.230 19.046 1109 HG2 GLU 67 HG2 GLU 67 -0.819 21.973 16.740 1110 HG3 GLU 67 HG3 GLU 67 -1.429 22.550 18.283 1111 H ASN 68 H ASN 68 -3.303 18.382 16.575 1112 HA ASN 68 HA ASN 68 -3.564 16.140 18.521 1113 HB2 ASN 68 HB2 ASN 68 -5.705 18.033 17.493 1114 HB3 ASN 68 HB3 ASN 68 -6.020 16.625 18.495 1115 HD21 ASN 68 HD21 ASN 68 -5.506 19.945 18.652 1116 HD22 ASN 68 HD22 ASN 68 -5.101 20.006 20.374 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -3.180 -7.622 7.060 2 H2 GLY 1 H2 GLY 1 -3.005 -6.003 7.241 3 H3 GLY 1 H3 GLY 1 -1.864 -6.867 6.443 4 HA2 GLY 1 HA2 GLY 1 -3.401 -7.394 4.670 5 HA3 GLY 1 HA3 GLY 1 -4.650 -6.489 5.544 6 H SER 2 H SER 2 -3.112 -6.167 2.856 7 HA SER 2 HA SER 2 -2.834 -3.230 3.000 8 HB2 SER 2 HB2 SER 2 -0.662 -3.265 1.846 9 HB3 SER 2 HB3 SER 2 -0.569 -4.008 3.448 10 HG SER 2 HG SER 2 0.514 -5.261 1.857 11 H HIS 3 H HIS 3 -2.663 -2.227 0.862 12 HA HIS 3 HA HIS 3 -3.570 -3.701 -1.488 13 HB2 HIS 3 HB2 HIS 3 -5.628 -3.245 0.041 14 HB3 HIS 3 HB3 HIS 3 -5.422 -1.543 -0.370 15 HD1 HIS 3 HD1 HIS 3 -6.010 -0.900 -2.957 16 HD2 HIS 3 HD2 HIS 3 -6.480 -4.939 -1.858 17 HE1 HIS 3 HE1 HIS 3 -7.310 -2.022 -4.857 18 H MET 4 H MET 4 -3.798 -2.253 -3.380 19 HA MET 4 HA MET 4 -1.882 -0.076 -3.540 20 HB2 MET 4 HB2 MET 4 -2.411 -1.571 -5.436 21 HB3 MET 4 HB3 MET 4 -4.080 -0.993 -5.444 22 HG2 MET 4 HG2 MET 4 -2.766 0.045 -7.216 23 HG3 MET 4 HG3 MET 4 -3.337 1.253 -6.073 24 HE1 MET 4 HE1 MET 4 -1.157 1.837 -8.270 25 HE2 MET 4 HE2 MET 4 -1.706 3.045 -7.086 26 HE3 MET 4 HE3 MET 4 0.031 2.777 -7.339 27 H ARG 5 H ARG 5 -2.278 2.127 -3.754 28 HA ARG 5 HA ARG 5 -4.965 3.195 -2.977 29 HB2 ARG 5 HB2 ARG 5 -2.924 3.136 -1.250 30 HB3 ARG 5 HB3 ARG 5 -2.418 4.571 -2.100 31 HG2 ARG 5 HG2 ARG 5 -4.731 5.549 -1.626 32 HG3 ARG 5 HG3 ARG 5 -5.074 4.146 -0.663 33 HD2 ARG 5 HD2 ARG 5 -4.512 5.528 0.953 34 HD3 ARG 5 HD3 ARG 5 -3.009 4.643 0.716 35 HE ARG 5 HE ARG 5 -2.851 6.950 -0.935 36 HH11 ARG 5 HH21 ARG 5 -2.879 6.239 2.504 37 HH12 ARG 5 HH22 ARG 5 -1.785 7.547 2.856 38 HH21 ARG 5 HH11 ARG 5 -1.701 8.708 -0.411 39 HH22 ARG 5 HH12 ARG 5 -1.104 8.922 1.216 40 H MET 6 H MET 6 -5.511 5.217 -3.864 41 HA MET 6 HA MET 6 -3.680 6.209 -5.953 42 HB2 MET 6 HB2 MET 6 -6.709 6.255 -5.990 43 HB3 MET 6 HB3 MET 6 -5.667 6.791 -7.311 44 HG2 MET 6 HG2 MET 6 -5.847 3.939 -6.279 45 HG3 MET 6 HG3 MET 6 -6.641 4.568 -7.722 46 HE1 MET 6 HE1 MET 6 -4.927 1.946 -7.709 47 HE2 MET 6 HE2 MET 6 -5.678 2.598 -9.183 48 HE3 MET 6 HE3 MET 6 -3.963 2.133 -9.191 49 H SER 7 H SER 7 -4.259 7.196 -3.135 50 HA SER 7 HA SER 7 -4.656 8.994 -1.951 51 HB2 SER 7 HB2 SER 7 -2.824 10.134 -4.038 52 HB3 SER 7 HB3 SER 7 -3.236 10.976 -2.527 53 HG SER 7 HG SER 7 -1.316 9.487 -2.570 54 H LEU 8 H LEU 8 -4.902 11.082 -4.956 55 HA LEU 8 HA LEU 8 -7.735 11.462 -4.255 56 HB2 LEU 8 HB2 LEU 8 -7.576 13.796 -4.297 57 HB3 LEU 8 HB3 LEU 8 -6.730 13.086 -2.982 58 HG LEU 8 HG LEU 8 -5.767 14.780 -5.269 59 HD11 LEU 8 HD11 LEU 8 -6.211 15.673 -2.989 60 HD12 LEU 8 HD12 LEU 8 -4.528 15.903 -3.489 61 HD13 LEU 8 HD13 LEU 8 -4.937 14.605 -2.346 62 HD21 LEU 8 HD21 LEU 8 -3.412 14.319 -4.904 63 HD22 LEU 8 HD22 LEU 8 -4.248 12.925 -5.588 64 HD23 LEU 8 HD23 LEU 8 -3.821 12.950 -3.848 65 H ILE 9 H ILE 9 -8.297 10.296 -5.949 66 HA ILE 9 HA ILE 9 -7.768 10.946 -8.683 67 HB ILE 9 HB ILE 9 -10.321 9.632 -7.745 68 HG12 ILE 9 HG12 ILE 9 -7.622 8.284 -7.489 69 HG13 ILE 9 HG13 ILE 9 -8.732 8.627 -6.199 70 HG21 ILE 9 HG21 ILE 9 -9.772 9.936 -10.191 71 HG22 ILE 9 HG22 ILE 9 -8.356 8.890 -9.959 72 HG23 ILE 9 HG23 ILE 9 -10.000 8.253 -9.738 73 HD11 ILE 9 HD11 ILE 9 -9.043 6.371 -6.612 74 HD12 ILE 9 HD12 ILE 9 -10.437 7.169 -7.361 75 HD13 ILE 9 HD13 ILE 9 -9.094 6.577 -8.374 76 H GLY 10 H GLY 10 -10.015 12.177 -6.272 77 HA2 GLY 10 HA2 GLY 10 -11.358 14.135 -6.450 78 HA3 GLY 10 HA3 GLY 10 -11.218 14.109 -8.200 79 H GLU 11 H GLU 11 -12.050 10.984 -7.364 80 HA GLU 11 HA GLU 11 -14.956 11.515 -6.916 81 HB2 GLU 11 HB2 GLU 11 -13.931 9.537 -8.992 82 HB3 GLU 11 HB3 GLU 11 -15.604 9.743 -8.472 83 HG2 GLU 11 HG2 GLU 11 -15.561 12.102 -9.297 84 HG3 GLU 11 HG3 GLU 11 -13.929 11.835 -9.920 85 H ARG 12 H ARG 12 -12.675 8.790 -7.317 86 HA ARG 12 HA ARG 12 -12.173 6.982 -6.042 87 HB2 ARG 12 HB2 ARG 12 -12.836 8.356 -3.491 88 HB3 ARG 12 HB3 ARG 12 -11.627 7.214 -3.940 89 HG2 ARG 12 HG2 ARG 12 -10.169 8.868 -3.897 90 HG3 ARG 12 HG3 ARG 12 -10.725 9.216 -5.503 91 HD2 ARG 12 HD2 ARG 12 -10.712 11.281 -4.223 92 HD3 ARG 12 HD3 ARG 12 -12.391 10.857 -4.524 93 HE ARG 12 HE ARG 12 -10.911 10.473 -1.937 94 HH11 ARG 12 HH22 ARG 12 -13.967 11.229 -3.495 95 HH12 ARG 12 HH21 ARG 12 -14.725 11.555 -1.983 96 HH21 ARG 12 HH11 ARG 12 -12.066 10.800 -0.020 97 HH22 ARG 12 HH12 ARG 12 -13.751 11.189 -0.114 98 H PHE 13 H PHE 13 -14.533 6.758 -7.150 99 HA PHE 13 HA PHE 13 -16.685 6.449 -5.245 100 HB2 PHE 13 HB2 PHE 13 -16.392 7.519 -7.754 101 HB3 PHE 13 HB3 PHE 13 -17.076 5.973 -8.165 102 HD1 PHE 13 HD1 PHE 13 -17.370 8.771 -5.748 103 HD2 PHE 13 HD2 PHE 13 -19.501 5.845 -8.076 104 HE1 PHE 13 HE1 PHE 13 -19.568 9.854 -5.129 105 HE2 PHE 13 HE2 PHE 13 -21.674 6.877 -7.420 106 HZ PHE 13 HZ PHE 13 -21.698 8.888 -5.953 107 H THR 14 H THR 14 -16.259 4.539 -4.180 108 HA THR 14 HA THR 14 -16.734 2.461 -3.549 109 HB THR 14 HB THR 14 -18.939 2.785 -3.943 110 HG1 THR 14 HG1 THR 14 -19.630 0.742 -4.501 111 HG21 THR 14 HG21 THR 14 -18.995 3.761 -6.158 112 HG22 THR 14 HG22 THR 14 -20.128 2.409 -6.061 113 HG23 THR 14 HG23 THR 14 -18.578 2.198 -6.904 114 H GLU 15 H GLU 15 -16.735 1.792 -7.087 115 HA GLU 15 HA GLU 15 -14.839 -0.395 -6.865 116 HB2 GLU 15 HB2 GLU 15 -15.733 1.317 -9.220 117 HB3 GLU 15 HB3 GLU 15 -14.696 -0.112 -9.340 118 HG2 GLU 15 HG2 GLU 15 -16.510 -1.492 -8.310 119 HG3 GLU 15 HG3 GLU 15 -17.566 -0.078 -8.310 120 H GLU 16 H GLU 16 -14.524 3.133 -7.179 121 HA GLU 16 HA GLU 16 -11.564 2.869 -7.472 122 HB2 GLU 16 HB2 GLU 16 -13.089 5.455 -7.602 123 HB3 GLU 16 HB3 GLU 16 -11.461 5.132 -8.114 124 HG2 GLU 16 HG2 GLU 16 -14.009 4.131 -9.452 125 HG3 GLU 16 HG3 GLU 16 -12.943 5.398 -10.032 126 H GLU 17 H GLU 17 -13.607 2.763 -5.009 127 HA GLU 17 HA GLU 17 -12.623 4.677 -3.138 128 HB2 GLU 17 HB2 GLU 17 -14.748 3.335 -3.045 129 HB3 GLU 17 HB3 GLU 17 -13.791 1.942 -2.519 130 HG2 GLU 17 HG2 GLU 17 -13.114 3.238 -0.489 131 HG3 GLU 17 HG3 GLU 17 -14.085 4.600 -1.066 132 H GLN 18 H GLN 18 -11.093 1.857 -4.214 133 HA GLN 18 HA GLN 18 -9.676 0.704 -2.346 134 HB2 GLN 18 HB2 GLN 18 -7.845 0.165 -3.551 135 HB3 GLN 18 HB3 GLN 18 -9.194 0.212 -4.648 136 HG2 GLN 18 HG2 GLN 18 -6.984 2.294 -4.348 137 HG3 GLN 18 HG3 GLN 18 -7.152 1.034 -5.602 138 HE21 GLN 18 HE22 GLN 18 -7.869 4.295 -4.887 139 HE22 GLN 18 HE21 GLN 18 -9.267 4.482 -5.948 140 H LYS 19 H LYS 19 -8.977 3.973 -3.212 141 HA LYS 19 HA LYS 19 -6.742 4.627 -1.601 142 HB2 LYS 19 HB2 LYS 19 -7.515 6.200 -3.175 143 HB3 LYS 19 HB3 LYS 19 -9.142 6.026 -2.675 144 HG2 LYS 19 HG2 LYS 19 -7.940 8.187 -2.231 145 HG3 LYS 19 HG3 LYS 19 -9.078 7.461 -1.075 146 HD2 LYS 19 HD2 LYS 19 -7.725 7.164 0.520 147 HD3 LYS 19 HD3 LYS 19 -6.319 6.822 -0.408 148 HE2 LYS 19 HE2 LYS 19 -6.302 8.961 1.083 149 HE3 LYS 19 HE3 LYS 19 -5.839 9.229 -0.575 150 HZ1 LYS 19 HZ1 LYS 19 -7.880 10.183 -1.081 151 HZ2 LYS 19 HZ2 LYS 19 -7.468 10.878 0.317 152 HZ3 LYS 19 HZ3 LYS 19 -8.630 9.718 0.322 153 H LEU 20 H LEU 20 -10.128 4.956 -0.723 154 HA LEU 20 HA LEU 20 -9.657 5.815 2.009 155 HB2 LEU 20 HB2 LEU 20 -12.192 4.944 0.529 156 HB3 LEU 20 HB3 LEU 20 -12.172 5.800 2.017 157 HG LEU 20 HG LEU 20 -12.753 7.427 0.659 158 HD11 LEU 20 HD11 LEU 20 -11.013 8.296 1.999 159 HD12 LEU 20 HD12 LEU 20 -10.801 8.977 0.371 160 HD13 LEU 20 HD13 LEU 20 -9.728 7.703 0.973 161 HD21 LEU 20 HD21 LEU 20 -11.801 7.859 -1.556 162 HD22 LEU 20 HD22 LEU 20 -12.615 6.293 -1.394 163 HD23 LEU 20 HD23 LEU 20 -10.871 6.356 -1.465 164 H LEU 21 H LEU 21 -10.547 2.970 0.319 165 HA LEU 21 HA LEU 21 -11.103 0.949 2.261 166 HB2 LEU 21 HB2 LEU 21 -11.625 0.583 0.006 167 HB3 LEU 21 HB3 LEU 21 -10.112 1.229 -0.514 168 HG LEU 21 HG LEU 21 -10.375 -1.051 -1.156 169 HD11 LEU 21 HD11 LEU 21 -8.095 -1.131 0.830 170 HD12 LEU 21 HD12 LEU 21 -8.015 -0.391 -0.787 171 HD13 LEU 21 HD13 LEU 21 -8.358 -2.102 -0.610 172 HD21 LEU 21 HD21 LEU 21 -10.150 -1.762 1.788 173 HD22 LEU 21 HD22 LEU 21 -10.383 -2.873 0.407 174 HD23 LEU 21 HD23 LEU 21 -11.689 -1.759 0.860 175 H LEU 22 H LEU 22 -7.926 2.094 0.788 176 HA LEU 22 HA LEU 22 -6.557 0.035 2.332 177 HB2 LEU 22 HB2 LEU 22 -5.631 0.858 0.252 178 HB3 LEU 22 HB3 LEU 22 -5.565 2.507 0.841 179 HG LEU 22 HG LEU 22 -3.392 1.317 0.633 180 HD11 LEU 22 HD11 LEU 22 -3.751 3.267 2.244 181 HD12 LEU 22 HD12 LEU 22 -2.336 2.230 2.505 182 HD13 LEU 22 HD13 LEU 22 -3.752 2.072 3.540 183 HD21 LEU 22 HD21 LEU 22 -4.285 -0.273 3.071 184 HD22 LEU 22 HD22 LEU 22 -2.703 -0.340 2.264 185 HD23 LEU 22 HD23 LEU 22 -4.177 -0.890 1.431 186 H ASN 23 H ASN 23 -7.116 3.449 2.607 187 HA ASN 23 HA ASN 23 -5.739 4.073 5.003 188 HB2 ASN 23 HB2 ASN 23 -7.951 5.230 3.271 189 HB3 ASN 23 HB3 ASN 23 -7.527 6.033 4.703 190 HD21 ASN 23 HD21 ASN 23 -7.218 7.130 2.226 191 HD22 ASN 23 HD22 ASN 23 -5.493 7.315 1.885 192 H ILE 24 H ILE 24 -8.849 2.488 4.703 193 HA ILE 24 HA ILE 24 -9.142 2.669 7.681 194 HB ILE 24 HB ILE 24 -11.253 1.617 7.471 195 HG12 ILE 24 HG12 ILE 24 -10.597 1.260 4.551 196 HG13 ILE 24 HG13 ILE 24 -10.935 0.034 5.734 197 HG21 ILE 24 HG21 ILE 24 -11.080 3.902 5.480 198 HG22 ILE 24 HG22 ILE 24 -12.491 3.415 6.437 199 HG23 ILE 24 HG23 ILE 24 -11.062 4.067 7.241 200 HD11 ILE 24 HD11 ILE 24 -13.301 0.866 5.899 201 HD12 ILE 24 HD12 ILE 24 -12.945 1.997 4.566 202 HD13 ILE 24 HD13 ILE 24 -12.851 0.249 4.295 203 H LEU 25 H LEU 25 -8.172 0.393 5.187 204 HA LEU 25 HA LEU 25 -8.348 -1.977 6.755 205 HB2 LEU 25 HB2 LEU 25 -8.400 -1.920 4.337 206 HB3 LEU 25 HB3 LEU 25 -6.792 -1.205 4.271 207 HG LEU 25 HG LEU 25 -5.813 -3.309 5.183 208 HD11 LEU 25 HD11 LEU 25 -8.647 -4.386 4.823 209 HD12 LEU 25 HD12 LEU 25 -7.777 -4.229 6.366 210 HD13 LEU 25 HD13 LEU 25 -7.200 -5.368 5.143 211 HD21 LEU 25 HD21 LEU 25 -5.898 -2.874 2.768 212 HD22 LEU 25 HD22 LEU 25 -7.512 -3.612 2.676 213 HD23 LEU 25 HD23 LEU 25 -6.099 -4.602 3.105 214 H ILE 26 H ILE 26 -5.758 0.425 6.379 215 HA ILE 26 HA ILE 26 -3.764 -1.117 7.833 216 HB ILE 26 HB ILE 26 -2.373 0.840 7.747 217 HG12 ILE 26 HG12 ILE 26 -4.564 2.421 6.349 218 HG13 ILE 26 HG13 ILE 26 -4.320 2.493 8.095 219 HG21 ILE 26 HG21 ILE 26 -2.485 -0.652 5.816 220 HG22 ILE 26 HG22 ILE 26 -3.773 0.333 5.110 221 HG23 ILE 26 HG23 ILE 26 -2.149 1.011 5.316 222 HD11 ILE 26 HD11 ILE 26 -3.155 4.335 7.046 223 HD12 ILE 26 HD12 ILE 26 -1.984 3.212 7.773 224 HD13 ILE 26 HD13 ILE 26 -2.238 3.227 6.008 225 H ASN 27 H ASN 27 -2.567 0.301 9.637 226 HA ASN 27 HA ASN 27 -4.070 -0.354 11.940 227 HB2 ASN 27 HB2 ASN 27 -2.115 0.341 13.159 228 HB3 ASN 27 HB3 ASN 27 -1.619 -0.585 11.744 229 HD21 ASN 27 HD21 ASN 27 -0.417 0.596 10.036 230 HD22 ASN 27 HD22 ASN 27 0.175 2.209 10.372 231 H HIS 28 H HIS 28 -3.715 2.784 10.429 232 HA HIS 28 HA HIS 28 -5.581 3.921 12.447 233 HB2 HIS 28 HB2 HIS 28 -4.458 6.027 12.481 234 HB3 HIS 28 HB3 HIS 28 -3.289 4.780 12.886 235 HD1 HIS 28 HD1 HIS 28 -4.258 6.974 9.807 236 HD2 HIS 28 HD2 HIS 28 -1.053 4.831 11.502 237 HE1 HIS 28 HE1 HIS 28 -2.220 7.434 8.338 238 H GLU 29 H GLU 29 -6.954 5.655 11.715 239 HA GLU 29 HA GLU 29 -7.945 5.303 9.015 240 HB2 GLU 29 HB2 GLU 29 -9.324 5.828 11.029 241 HB3 GLU 29 HB3 GLU 29 -8.639 7.458 11.039 242 HG2 GLU 29 HG2 GLU 29 -9.625 7.914 8.836 243 HG3 GLU 29 HG3 GLU 29 -10.154 6.236 8.687 244 H TYR 30 H TYR 30 -7.959 6.849 7.284 245 HA TYR 30 HA TYR 30 -6.196 9.199 7.488 246 HB2 TYR 30 HB2 TYR 30 -4.884 7.040 6.856 247 HB3 TYR 30 HB3 TYR 30 -5.623 7.246 5.291 248 HD1 TYR 30 HD2 TYR 30 -3.779 9.264 7.876 249 HD2 TYR 30 HD1 TYR 30 -4.335 8.378 3.696 250 HE1 TYR 30 HE2 TYR 30 -1.848 10.732 7.303 251 HE2 TYR 30 HE1 TYR 30 -2.454 9.887 3.121 252 HH TYR 30 HH TYR 30 -0.543 11.602 5.613 253 H ALA 31 H ALA 31 -6.543 8.815 4.141 254 HA ALA 31 HA ALA 31 -7.066 10.439 2.856 255 HB1 ALA 31 HB1 ALA 31 -9.827 9.927 3.987 256 HB2 ALA 31 HB2 ALA 31 -9.462 10.696 2.432 257 HB3 ALA 31 HB3 ALA 31 -8.970 8.999 2.726 258 H ILE 32 H ILE 32 -8.498 11.253 5.955 259 HA ILE 32 HA ILE 32 -8.956 13.946 5.391 260 HB ILE 32 HB ILE 32 -8.775 12.340 7.929 261 HG12 ILE 32 HG12 ILE 32 -10.709 11.970 6.456 262 HG13 ILE 32 HG13 ILE 32 -11.168 12.644 8.013 263 HG21 ILE 32 HG21 ILE 32 -9.674 14.124 9.232 264 HG22 ILE 32 HG22 ILE 32 -8.084 14.559 8.668 265 HG23 ILE 32 HG23 ILE 32 -9.507 15.288 7.891 266 HD11 ILE 32 HD11 ILE 32 -12.470 13.609 6.124 267 HD12 ILE 32 HD12 ILE 32 -11.580 14.846 7.010 268 HD13 ILE 32 HD13 ILE 32 -11.010 14.266 5.424 269 H GLU 33 H GLU 33 -5.956 12.613 6.705 270 HA GLU 33 HA GLU 33 -4.739 15.118 7.320 271 HB2 GLU 33 HB2 GLU 33 -3.861 12.637 7.527 272 HB3 GLU 33 HB3 GLU 33 -3.136 12.965 5.954 273 HG2 GLU 33 HG2 GLU 33 -2.733 14.583 8.515 274 HG3 GLU 33 HG3 GLU 33 -1.635 13.343 7.930 275 H LEU 34 H LEU 34 -5.188 13.452 4.220 276 HA LEU 34 HA LEU 34 -3.882 15.442 2.630 277 HB2 LEU 34 HB2 LEU 34 -6.160 13.691 1.615 278 HB3 LEU 34 HB3 LEU 34 -4.847 14.416 0.712 279 HG LEU 34 HG LEU 34 -4.772 11.988 2.525 280 HD11 LEU 34 HD11 LEU 34 -3.926 12.395 -0.374 281 HD12 LEU 34 HD12 LEU 34 -5.515 11.801 0.119 282 HD13 LEU 34 HD13 LEU 34 -4.055 10.854 0.499 283 HD21 LEU 34 HD21 LEU 34 -2.395 13.443 1.309 284 HD22 LEU 34 HD22 LEU 34 -2.364 11.780 1.944 285 HD23 LEU 34 HD23 LEU 34 -2.699 13.118 3.039 286 H LEU 35 H LEU 35 -7.339 14.972 3.520 287 HA LEU 35 HA LEU 35 -8.501 17.106 2.101 288 HB2 LEU 35 HB2 LEU 35 -9.637 15.336 3.483 289 HB3 LEU 35 HB3 LEU 35 -9.137 16.118 4.931 290 HG LEU 35 HG LEU 35 -11.571 16.356 3.857 291 HD11 LEU 35 HD11 LEU 35 -10.892 17.060 6.105 292 HD12 LEU 35 HD12 LEU 35 -11.951 18.242 5.325 293 HD13 LEU 35 HD13 LEU 35 -10.206 18.556 5.429 294 HD21 LEU 35 HD21 LEU 35 -10.388 19.032 3.123 295 HD22 LEU 35 HD22 LEU 35 -12.035 18.452 2.876 296 HD23 LEU 35 HD23 LEU 35 -10.721 17.813 1.891 297 H SER 36 H SER 36 -7.295 17.257 5.520 298 HA SER 36 HA SER 36 -7.727 20.044 5.833 299 HB2 SER 36 HB2 SER 36 -7.237 18.202 7.597 300 HB3 SER 36 HB3 SER 36 -5.532 18.578 7.283 301 HG SER 36 HG SER 36 -7.584 20.309 8.229 302 H SER 37 H SER 37 -4.785 18.292 4.802 303 HA SER 37 HA SER 37 -3.056 20.538 4.665 304 HB2 SER 37 HB2 SER 37 -2.327 18.177 4.604 305 HB3 SER 37 HB3 SER 37 -2.998 18.015 2.967 306 HG SER 37 HG SER 37 -0.757 18.517 2.931 307 H GLU 38 H GLU 38 -5.235 19.018 2.298 308 HA GLU 38 HA GLU 38 -4.628 20.598 -0.022 309 HB2 GLU 38 HB2 GLU 38 -6.874 18.761 0.841 310 HB3 GLU 38 HB3 GLU 38 -7.161 19.735 -0.537 311 HG2 GLU 38 HG2 GLU 38 -4.760 17.874 -0.255 312 HG3 GLU 38 HG3 GLU 38 -6.276 17.447 -1.043 313 H ILE 39 H ILE 39 -7.351 20.875 2.313 314 HA ILE 39 HA ILE 39 -8.547 23.066 0.966 315 HB ILE 39 HB ILE 39 -9.744 23.519 3.089 316 HG12 ILE 39 HG12 ILE 39 -9.498 21.199 4.583 317 HG13 ILE 39 HG13 ILE 39 -7.829 21.580 4.197 318 HG21 ILE 39 HG21 ILE 39 -10.609 22.111 1.327 319 HG22 ILE 39 HG22 ILE 39 -9.677 20.724 1.920 320 HG23 ILE 39 HG23 ILE 39 -11.037 21.374 2.877 321 HD11 ILE 39 HD11 ILE 39 -9.855 23.382 5.584 322 HD12 ILE 39 HD12 ILE 39 -8.452 22.592 6.329 323 HD13 ILE 39 HD13 ILE 39 -8.213 23.901 5.157 324 H ASN 40 H ASN 40 -6.258 22.970 3.735 325 HA ASN 40 HA ASN 40 -6.143 25.865 3.806 326 HB2 ASN 40 HB2 ASN 40 -4.731 25.761 5.531 327 HB3 ASN 40 HB3 ASN 40 -5.478 24.175 5.679 328 HD21 ASN 40 HD21 ASN 40 -4.183 22.360 5.284 329 HD22 ASN 40 HD22 ASN 40 -2.449 22.477 5.006 330 H ASP 41 H ASP 41 -4.396 23.592 1.745 331 HA ASP 41 HA ASP 41 -2.294 25.499 1.048 332 HB2 ASP 41 HB2 ASP 41 -2.214 22.950 0.807 333 HB3 ASP 41 HB3 ASP 41 -3.205 23.151 -0.641 334 H ILE 42 H ILE 42 -5.593 24.888 0.014 335 HA ILE 42 HA ILE 42 -5.409 26.892 -2.181 336 HB ILE 42 HB ILE 42 -7.669 25.221 -1.070 337 HG12 ILE 42 HG12 ILE 42 -7.806 24.557 -3.487 338 HG13 ILE 42 HG13 ILE 42 -6.414 25.570 -3.842 339 HG21 ILE 42 HG21 ILE 42 -7.918 27.508 -3.078 340 HG22 ILE 42 HG22 ILE 42 -9.161 26.277 -2.766 341 HG23 ILE 42 HG23 ILE 42 -8.714 27.400 -1.488 342 HD11 ILE 42 HD11 ILE 42 -5.741 23.225 -3.672 343 HD12 ILE 42 HD12 ILE 42 -5.026 24.076 -2.318 344 HD13 ILE 42 HD13 ILE 42 -6.490 23.109 -2.065 345 H GLU 43 H GLU 43 -6.885 26.748 1.039 346 HA GLU 43 HA GLU 43 -8.033 29.317 1.023 347 HB2 GLU 43 HB2 GLU 43 -8.378 27.373 2.675 348 HB3 GLU 43 HB3 GLU 43 -6.938 27.913 3.491 349 HG2 GLU 43 HG2 GLU 43 -8.701 28.789 4.733 350 HG3 GLU 43 HG3 GLU 43 -8.037 30.160 3.867 351 H THR 44 H THR 44 -4.907 28.394 2.382 352 HA THR 44 HA THR 44 -4.097 31.287 2.522 353 HB THR 44 HB THR 44 -4.536 30.461 4.737 354 HG1 THR 44 HG1 THR 44 -2.580 31.062 5.614 355 HG21 THR 44 HG21 THR 44 -3.004 28.804 5.810 356 HG22 THR 44 HG22 THR 44 -2.391 28.366 4.201 357 HG23 THR 44 HG23 THR 44 -4.098 28.094 4.622 358 H GLY 45 H GLY 45 -2.914 27.970 1.792 359 HA2 GLY 45 HA2 GLY 45 -0.291 28.765 0.975 360 HA3 GLY 45 HA3 GLY 45 -1.165 27.337 0.422 361 H THR 46 H THR 46 -3.343 29.245 -0.605 362 HA THR 46 HA THR 46 -4.019 30.212 -2.481 363 HB THR 46 HB THR 46 -1.402 31.684 -2.786 364 HG1 THR 46 HG1 THR 46 -2.045 31.722 -0.577 365 HG21 THR 46 HG21 THR 46 -2.949 33.546 -3.347 366 HG22 THR 46 HG22 THR 46 -4.343 32.471 -3.087 367 HG23 THR 46 HG23 THR 46 -3.222 32.178 -4.433 368 H LYS 47 H LYS 47 -3.166 27.688 -2.887 369 HA LYS 47 HA LYS 47 -2.044 27.363 -5.559 370 HB2 LYS 47 HB2 LYS 47 -4.099 25.727 -4.010 371 HB3 LYS 47 HB3 LYS 47 -3.430 25.255 -5.555 372 HG2 LYS 47 HG2 LYS 47 -1.963 25.499 -2.918 373 HG3 LYS 47 HG3 LYS 47 -2.340 24.029 -3.797 374 HD2 LYS 47 HD2 LYS 47 -0.342 26.181 -4.602 375 HD3 LYS 47 HD3 LYS 47 0.020 24.580 -3.965 376 HE2 LYS 47 HE2 LYS 47 -1.051 23.527 -5.950 377 HE3 LYS 47 HE3 LYS 47 -1.369 25.129 -6.627 378 HZ1 LYS 47 HZ1 LYS 47 1.330 24.027 -6.044 379 HZ2 LYS 47 HZ2 LYS 47 1.046 25.512 -6.663 380 HZ3 LYS 47 HZ3 LYS 47 0.676 24.180 -7.530 381 H ASN 48 H ASN 48 -3.185 27.136 -7.564 382 HA ASN 48 HA ASN 48 -5.940 28.124 -7.742 383 HB2 ASN 48 HB2 ASN 48 -4.566 30.193 -7.756 384 HB3 ASN 48 HB3 ASN 48 -3.589 29.550 -9.079 385 HD21 ASN 48 HD21 ASN 48 -7.057 30.229 -8.259 386 HD22 ASN 48 HD22 ASN 48 -7.459 30.732 -9.893 387 H VAL 49 H VAL 49 -7.004 27.012 -9.226 388 HA VAL 49 HA VAL 49 -5.960 26.047 -11.736 389 HB VAL 49 HB VAL 49 -4.939 24.359 -10.335 390 HG11 VAL 49 HG11 VAL 49 -6.330 24.456 -8.328 391 HG12 VAL 49 HG12 VAL 49 -7.683 23.734 -9.229 392 HG13 VAL 49 HG13 VAL 49 -6.197 22.801 -8.932 393 HG21 VAL 49 HG21 VAL 49 -5.907 23.567 -12.496 394 HG22 VAL 49 HG22 VAL 49 -5.741 22.313 -11.253 395 HG23 VAL 49 HG23 VAL 49 -7.334 22.993 -11.591 396 H ASP 50 H ASP 50 -7.693 24.735 -12.845 397 HA ASP 50 HA ASP 50 -10.400 25.768 -12.619 398 HB2 ASP 50 HB2 ASP 50 -9.108 24.999 -14.697 399 HB3 ASP 50 HB3 ASP 50 -9.335 23.349 -14.124 400 H GLY 51 H GLY 51 -12.119 23.644 -12.773 401 HA2 GLY 51 HA2 GLY 51 -12.824 22.967 -10.309 402 HA3 GLY 51 HA3 GLY 51 -13.208 21.961 -11.687 403 H THR 52 H THR 52 -9.985 21.499 -11.535 404 HA THR 52 HA THR 52 -9.972 18.886 -10.476 405 HB THR 52 HB THR 52 -7.755 20.971 -10.530 406 HG1 THR 52 HG1 THR 52 -7.232 19.914 -12.469 407 HG21 THR 52 HG21 THR 52 -6.245 19.006 -10.585 408 HG22 THR 52 HG22 THR 52 -7.657 17.939 -10.301 409 HG23 THR 52 HG23 THR 52 -7.145 19.112 -9.064 410 H THR 53 H THR 53 -8.655 21.810 -8.663 411 HA THR 53 HA THR 53 -8.571 20.333 -6.260 412 HB THR 53 HB THR 53 -7.201 22.329 -6.816 413 HG1 THR 53 HG1 THR 53 -7.252 21.527 -4.758 414 HG21 THR 53 HG21 THR 53 -9.523 24.001 -5.768 415 HG22 THR 53 HG22 THR 53 -9.124 23.881 -7.496 416 HG23 THR 53 HG23 THR 53 -7.946 24.553 -6.353 417 H TYR 54 H TYR 54 -11.082 22.491 -7.482 418 HA TYR 54 HA TYR 54 -12.886 22.630 -5.303 419 HB2 TYR 54 HB2 TYR 54 -13.396 22.194 -8.282 420 HB3 TYR 54 HB3 TYR 54 -14.660 22.455 -7.118 421 HD1 TYR 54 HD1 TYR 54 -11.673 24.119 -8.686 422 HD2 TYR 54 HD2 TYR 54 -15.240 24.595 -6.301 423 HE1 TYR 54 HE1 TYR 54 -11.487 26.587 -8.909 424 HE2 TYR 54 HE2 TYR 54 -15.052 27.071 -6.524 425 HH TYR 54 HH TYR 54 -13.860 28.821 -7.406 426 H LYS 55 H LYS 55 -12.812 20.164 -7.948 427 HA LYS 55 HA LYS 55 -14.580 18.433 -6.802 428 HB2 LYS 55 HB2 LYS 55 -13.949 18.612 -9.176 429 HB3 LYS 55 HB3 LYS 55 -12.386 17.955 -8.845 430 HG2 LYS 55 HG2 LYS 55 -13.680 15.921 -9.328 431 HG3 LYS 55 HG3 LYS 55 -13.958 16.034 -7.621 432 HD2 LYS 55 HD2 LYS 55 -15.875 17.729 -8.217 433 HD3 LYS 55 HD3 LYS 55 -15.791 17.017 -9.815 434 HE2 LYS 55 HE2 LYS 55 -16.062 14.720 -8.822 435 HE3 LYS 55 HE3 LYS 55 -16.247 15.459 -7.229 436 HZ1 LYS 55 HZ1 LYS 55 -18.056 15.923 -9.548 437 HZ2 LYS 55 HZ2 LYS 55 -18.235 16.614 -8.078 438 HZ3 LYS 55 HZ3 LYS 55 -18.409 15.000 -8.252 439 H LYS 56 H LYS 56 -10.984 18.265 -6.560 440 HA LYS 56 HA LYS 56 -10.890 15.962 -4.913 441 HB2 LYS 56 HB2 LYS 56 -9.041 18.288 -5.255 442 HB3 LYS 56 HB3 LYS 56 -8.829 17.251 -3.835 443 HG2 LYS 56 HG2 LYS 56 -7.431 16.300 -5.442 444 HG3 LYS 56 HG3 LYS 56 -8.862 15.273 -5.491 445 HD2 LYS 56 HD2 LYS 56 -9.660 16.551 -7.486 446 HD3 LYS 56 HD3 LYS 56 -8.177 17.536 -7.444 447 HE2 LYS 56 HE2 LYS 56 -8.112 14.535 -7.441 448 HE3 LYS 56 HE3 LYS 56 -8.352 15.398 -8.974 449 HZ1 LYS 56 HZ1 LYS 56 -6.001 14.835 -8.506 450 HZ2 LYS 56 HZ2 LYS 56 -6.000 15.793 -7.193 451 HZ3 LYS 56 HZ3 LYS 56 -6.203 16.448 -8.681 452 H LEU 57 H LEU 57 -11.349 19.354 -3.701 453 HA LEU 57 HA LEU 57 -11.536 18.211 -1.023 454 HB2 LEU 57 HB2 LEU 57 -11.413 20.162 -0.169 455 HB3 LEU 57 HB3 LEU 57 -10.413 20.332 -1.594 456 HG LEU 57 HG LEU 57 -12.704 21.375 -2.617 457 HD11 LEU 57 HD11 LEU 57 -12.815 22.050 0.364 458 HD12 LEU 57 HD12 LEU 57 -14.050 21.161 -0.547 459 HD13 LEU 57 HD13 LEU 57 -13.745 22.860 -0.902 460 HD21 LEU 57 HD21 LEU 57 -10.521 22.492 -2.578 461 HD22 LEU 57 HD22 LEU 57 -10.742 22.911 -0.866 462 HD23 LEU 57 HD23 LEU 57 -11.811 23.606 -2.105 463 H VAL 58 H VAL 58 -13.974 19.222 -3.402 464 HA VAL 58 HA VAL 58 -16.126 18.900 -1.481 465 HB VAL 58 HB VAL 58 -16.134 20.343 -3.563 466 HG11 VAL 58 HG11 VAL 58 -16.719 19.511 -5.665 467 HG12 VAL 58 HG12 VAL 58 -15.528 18.349 -5.076 468 HG13 VAL 58 HG13 VAL 58 -17.235 17.923 -5.026 469 HG21 VAL 58 HG21 VAL 58 -18.540 18.568 -3.097 470 HG22 VAL 58 HG22 VAL 58 -18.103 20.028 -2.160 471 HG23 VAL 58 HG23 VAL 58 -18.531 20.165 -3.873 472 H THR 59 H THR 59 -14.311 16.669 -3.479 473 HA THR 59 HA THR 59 -16.270 14.509 -3.246 474 HB THR 59 HB THR 59 -14.567 14.716 -5.093 475 HG1 THR 59 HG1 THR 59 -15.669 12.955 -5.134 476 HG21 THR 59 HG21 THR 59 -12.501 14.919 -4.223 477 HG22 THR 59 HG22 THR 59 -12.513 13.206 -4.591 478 HG23 THR 59 HG23 THR 59 -12.685 13.786 -2.916 479 H LEU 60 H LEU 60 -13.387 15.574 -1.507 480 HA LEU 60 HA LEU 60 -12.971 13.490 0.303 481 HB2 LEU 60 HB2 LEU 60 -12.523 16.411 0.422 482 HB3 LEU 60 HB3 LEU 60 -12.687 15.630 1.977 483 HG LEU 60 HG LEU 60 -10.395 15.784 1.363 484 HD11 LEU 60 HD11 LEU 60 -9.551 13.721 1.816 485 HD12 LEU 60 HD12 LEU 60 -10.944 12.848 1.103 486 HD13 LEU 60 HD13 LEU 60 -11.128 13.750 2.631 487 HD21 LEU 60 HD21 LEU 60 -11.110 14.335 -1.138 488 HD22 LEU 60 HD22 LEU 60 -9.436 14.400 -0.496 489 HD23 LEU 60 HD23 LEU 60 -10.278 15.895 -0.886 490 H TYR 61 H TYR 61 -15.252 16.180 0.848 491 HA TYR 61 HA TYR 61 -16.528 14.805 3.096 492 HB2 TYR 61 HB2 TYR 61 -17.655 16.626 3.570 493 HB3 TYR 61 HB3 TYR 61 -16.610 17.429 2.395 494 HD1 TYR 61 HD2 TYR 61 -17.562 17.995 0.112 495 HD2 TYR 61 HD1 TYR 61 -19.997 16.232 3.185 496 HE1 TYR 61 HE2 TYR 61 -19.634 18.586 -1.151 497 HE2 TYR 61 HE1 TYR 61 -22.042 16.876 1.965 498 HH TYR 61 HH TYR 61 -21.923 18.473 -1.236 499 H ASP 62 H ASP 62 -17.247 15.007 -0.290 500 HA ASP 62 HA ASP 62 -19.820 13.798 -0.337 501 HB2 ASP 62 HB2 ASP 62 -18.723 14.781 -2.356 502 HB3 ASP 62 HB3 ASP 62 -17.724 13.314 -2.446 503 H ARG 63 H ARG 63 -16.703 12.257 0.338 504 HA ARG 63 HA ARG 63 -18.276 9.710 0.743 505 HB2 ARG 63 HB2 ARG 63 -15.787 10.099 -0.568 506 HB3 ARG 63 HB3 ARG 63 -15.408 9.200 0.863 507 HG2 ARG 63 HG2 ARG 63 -16.543 7.326 0.290 508 HG3 ARG 63 HG3 ARG 63 -17.826 8.156 -0.550 509 HD2 ARG 63 HD2 ARG 63 -15.036 7.661 -1.509 510 HD3 ARG 63 HD3 ARG 63 -16.485 6.849 -2.122 511 HE ARG 63 HE ARG 63 -15.402 9.007 -3.364 512 HH11 ARG 63 HH21 ARG 63 -18.679 8.773 -1.993 513 HH12 ARG 63 HH22 ARG 63 -19.093 10.287 -2.788 514 HH21 ARG 63 HH12 ARG 63 -16.196 10.785 -4.348 515 HH22 ARG 63 HH11 ARG 63 -17.868 11.281 -3.996 516 H PHE 64 H PHE 64 -15.913 11.765 2.386 517 HA PHE 64 HA PHE 64 -15.781 10.236 4.763 518 HB2 PHE 64 HB2 PHE 64 -14.205 11.956 4.329 519 HB3 PHE 64 HB3 PHE 64 -15.477 13.171 4.231 520 HD1 PHE 64 HD1 PHE 64 -13.444 11.040 6.532 521 HD2 PHE 64 HD2 PHE 64 -16.509 14.042 6.284 522 HE1 PHE 64 HE1 PHE 64 -13.203 11.502 8.968 523 HE2 PHE 64 HE2 PHE 64 -16.356 14.432 8.723 524 HZ PHE 64 HZ PHE 64 -14.734 13.115 10.083 525 H ARG 65 H ARG 65 -18.141 12.917 4.049 526 HA ARG 65 HA ARG 65 -19.384 12.758 6.678 527 HB2 ARG 65 HB2 ARG 65 -19.932 14.178 4.023 528 HB3 ARG 65 HB3 ARG 65 -20.944 14.397 5.358 529 HG2 ARG 65 HG2 ARG 65 -18.055 15.159 5.228 530 HG3 ARG 65 HG3 ARG 65 -19.427 16.268 5.252 531 HD2 ARG 65 HD2 ARG 65 -18.613 14.452 7.502 532 HD3 ARG 65 HD3 ARG 65 -18.260 16.171 7.421 533 HE ARG 65 HE ARG 65 -20.776 16.539 7.388 534 HH11 ARG 65 HH11 ARG 65 -19.536 13.683 9.009 535 HH12 ARG 65 HH12 ARG 65 -20.659 13.849 10.333 536 HH21 ARG 65 HH21 ARG 65 -22.308 16.541 9.002 537 HH22 ARG 65 HH22 ARG 65 -22.288 15.276 10.201 538 H PHE 66 H PHE 66 -20.087 11.671 3.558 539 HA PHE 66 HA PHE 66 -22.719 10.507 4.205 540 HB2 PHE 66 HB2 PHE 66 -21.077 10.584 1.668 541 HB3 PHE 66 HB3 PHE 66 -22.591 9.720 1.785 542 HD1 PHE 66 HD1 PHE 66 -24.721 10.990 2.463 543 HD2 PHE 66 HD2 PHE 66 -21.080 12.939 1.239 544 HE1 PHE 66 HE1 PHE 66 -26.010 13.038 1.891 545 HE2 PHE 66 HE2 PHE 66 -22.377 14.958 0.597 546 HZ PHE 66 HZ PHE 66 -24.839 15.023 0.948 547 H GLU 67 H GLU 67 -19.688 8.956 2.997 548 HA GLU 67 HA GLU 67 -21.058 6.330 3.179 549 HB2 GLU 67 HB2 GLU 67 -18.574 7.242 1.656 550 HB3 GLU 67 HB3 GLU 67 -19.229 5.625 1.636 551 HG2 GLU 67 HG2 GLU 67 -20.605 8.148 0.639 552 HG3 GLU 67 HG3 GLU 67 -19.890 6.893 -0.360 553 H ASN 68 H ASN 68 -17.991 7.745 4.052 554 HA ASN 68 HA ASN 68 -16.783 5.267 4.913 555 HB2 ASN 68 HB2 ASN 68 -15.790 8.072 5.574 556 HB3 ASN 68 HB3 ASN 68 -14.864 6.561 5.535 557 HD21 ASN 68 HD22 ASN 68 -15.791 5.480 3.093 558 HD22 ASN 68 HD21 ASN 68 -14.860 6.421 1.944 559 H1 GLY 1 H1 GLY 1 -11.660 17.443 38.729 560 H2 GLY 1 H2 GLY 1 -12.434 16.378 37.752 561 H3 GLY 1 H3 GLY 1 -13.290 17.506 38.572 562 HA2 GLY 1 HA2 GLY 1 -12.266 19.291 37.320 563 HA3 GLY 1 HA3 GLY 1 -11.344 18.067 36.429 564 H SER 2 H SER 2 -12.498 19.409 34.679 565 HA SER 2 HA SER 2 -14.846 17.900 33.717 566 HB2 SER 2 HB2 SER 2 -16.073 20.011 33.173 567 HB3 SER 2 HB3 SER 2 -15.944 19.669 34.900 568 HG SER 2 HG SER 2 -14.349 21.529 33.421 569 H HIS 3 H HIS 3 -15.267 18.128 31.489 570 HA HIS 3 HA HIS 3 -13.010 19.180 29.828 571 HB2 HIS 3 HB2 HIS 3 -14.609 16.640 29.416 572 HB3 HIS 3 HB3 HIS 3 -13.299 17.218 28.382 573 HD1 HIS 3 HD1 HIS 3 -13.549 14.437 30.293 574 HD2 HIS 3 HD2 HIS 3 -11.121 17.844 30.746 575 HE1 HIS 3 HE1 HIS 3 -11.544 13.707 31.689 576 H MET 4 H MET 4 -15.236 20.823 30.364 577 HA MET 4 HA MET 4 -17.322 20.589 28.430 578 HB2 MET 4 HB2 MET 4 -17.504 21.958 30.468 579 HB3 MET 4 HB3 MET 4 -16.267 23.061 29.864 580 HG2 MET 4 HG2 MET 4 -18.537 23.961 29.552 581 HG3 MET 4 HG3 MET 4 -17.685 23.764 28.030 582 HE1 MET 4 HE1 MET 4 -20.571 22.510 30.353 583 HE2 MET 4 HE2 MET 4 -21.248 21.138 29.450 584 HE3 MET 4 HE3 MET 4 -19.649 20.994 30.208 585 H ARG 5 H ARG 5 -17.338 20.907 26.308 586 HA ARG 5 HA ARG 5 -14.889 21.605 24.903 587 HB2 ARG 5 HB2 ARG 5 -16.679 19.796 24.399 588 HB3 ARG 5 HB3 ARG 5 -17.611 21.090 23.669 589 HG2 ARG 5 HG2 ARG 5 -15.562 21.536 22.188 590 HG3 ARG 5 HG3 ARG 5 -14.854 20.125 22.864 591 HD2 ARG 5 HD2 ARG 5 -15.722 19.520 20.771 592 HD3 ARG 5 HD3 ARG 5 -16.543 18.648 22.032 593 HE ARG 5 HE ARG 5 -17.657 21.006 20.500 594 HH11 ARG 5 HH11 ARG 5 -18.384 18.075 22.295 595 HH12 ARG 5 HH12 ARG 5 -20.101 18.323 22.145 596 HH21 ARG 5 HH21 ARG 5 -19.796 21.276 20.405 597 HH22 ARG 5 HH22 ARG 5 -20.886 20.084 21.064 598 H MET 6 H MET 6 -14.532 23.304 23.386 599 HA MET 6 HA MET 6 -16.724 25.285 23.124 600 HB2 MET 6 HB2 MET 6 -13.784 26.032 23.150 601 HB3 MET 6 HB3 MET 6 -15.169 27.116 23.219 602 HG2 MET 6 HG2 MET 6 -14.348 25.123 25.359 603 HG3 MET 6 HG3 MET 6 -13.935 26.837 25.369 604 HE1 MET 6 HE1 MET 6 -16.483 26.387 28.353 605 HE2 MET 6 HE2 MET 6 -15.350 25.157 27.753 606 HE3 MET 6 HE3 MET 6 -14.828 26.851 27.900 607 H SER 7 H SER 7 -17.283 24.013 21.321 608 HA SER 7 HA SER 7 -15.807 23.429 19.092 609 HB2 SER 7 HB2 SER 7 -18.707 24.305 19.126 610 HB3 SER 7 HB3 SER 7 -17.866 23.704 17.681 611 HG SER 7 HG SER 7 -18.683 21.917 18.524 612 H LEU 8 H LEU 8 -14.517 24.676 17.964 613 HA LEU 8 HA LEU 8 -13.465 26.233 16.876 614 HB2 LEU 8 HB2 LEU 8 -15.900 27.077 15.411 615 HB3 LEU 8 HB3 LEU 8 -14.297 26.714 14.866 616 HG LEU 8 HG LEU 8 -16.186 24.529 15.851 617 HD11 LEU 8 HD11 LEU 8 -17.106 25.586 13.895 618 HD12 LEU 8 HD12 LEU 8 -16.492 23.956 13.563 619 HD13 LEU 8 HD13 LEU 8 -15.551 25.382 13.034 620 HD21 LEU 8 HD21 LEU 8 -13.543 24.645 14.358 621 HD22 LEU 8 HD22 LEU 8 -14.496 23.156 14.601 622 HD23 LEU 8 HD23 LEU 8 -13.807 24.020 16.008 623 H ILE 9 H ILE 9 -13.122 27.360 18.928 624 HA ILE 9 HA ILE 9 -14.091 30.013 19.314 625 HB ILE 9 HB ILE 9 -11.219 29.277 19.871 626 HG12 ILE 9 HG12 ILE 9 -13.540 28.048 21.390 627 HG13 ILE 9 HG13 ILE 9 -12.364 27.194 20.476 628 HG21 ILE 9 HG21 ILE 9 -13.319 30.688 21.568 629 HG22 ILE 9 HG22 ILE 9 -11.572 30.605 21.885 630 HG23 ILE 9 HG23 ILE 9 -12.164 31.510 20.499 631 HD11 ILE 9 HD11 ILE 9 -11.858 28.617 23.080 632 HD12 ILE 9 HD12 ILE 9 -11.695 26.897 22.678 633 HD13 ILE 9 HD13 ILE 9 -10.556 28.064 21.990 634 H GLY 10 H GLY 10 -11.722 28.641 17.109 635 HA2 GLY 10 HA2 GLY 10 -10.942 29.680 15.094 636 HA3 GLY 10 HA3 GLY 10 -11.242 31.266 15.764 637 H GLU 11 H GLU 11 -9.738 29.343 18.098 638 HA GLU 11 HA GLU 11 -6.959 29.555 17.102 639 HB2 GLU 11 HB2 GLU 11 -6.363 30.127 19.593 640 HB3 GLU 11 HB3 GLU 11 -6.651 31.402 18.391 641 HG2 GLU 11 HG2 GLU 11 -8.958 31.702 19.291 642 HG3 GLU 11 HG3 GLU 11 -8.643 30.449 20.494 643 H ARG 12 H ARG 12 -8.681 28.651 20.093 644 HA ARG 12 HA ARG 12 -8.546 26.863 21.454 645 HB2 ARG 12 HB2 ARG 12 -8.506 24.841 19.339 646 HB3 ARG 12 HB3 ARG 12 -9.416 25.014 20.803 647 HG2 ARG 12 HG2 ARG 12 -11.191 25.464 19.658 648 HG3 ARG 12 HG3 ARG 12 -10.554 27.027 19.240 649 HD2 ARG 12 HD2 ARG 12 -10.577 24.422 17.688 650 HD3 ARG 12 HD3 ARG 12 -11.120 26.013 17.134 651 HE ARG 12 HE ARG 12 -8.508 26.519 17.350 652 HH11 ARG 12 HH11 ARG 12 -9.795 23.638 15.798 653 HH12 ARG 12 HH12 ARG 12 -8.189 23.180 15.280 654 HH21 ARG 12 HH22 ARG 12 -6.723 25.997 16.546 655 HH22 ARG 12 HH21 ARG 12 -6.625 24.761 15.326 656 H PHE 13 H PHE 13 -6.133 27.951 21.133 657 HA PHE 13 HA PHE 13 -3.924 26.183 20.583 658 HB2 PHE 13 HB2 PHE 13 -4.255 28.650 22.340 659 HB3 PHE 13 HB3 PHE 13 -2.728 27.921 21.930 660 HD1 PHE 13 HD2 PHE 13 -4.125 27.473 18.846 661 HD2 PHE 13 HD1 PHE 13 -3.183 30.754 21.497 662 HE1 PHE 13 HE2 PHE 13 -3.979 28.995 16.914 663 HE2 PHE 13 HE1 PHE 13 -3.058 32.280 19.543 664 HZ PHE 13 HZ PHE 13 -3.453 31.404 17.248 665 H THR 14 H THR 14 -2.334 25.606 22.411 666 HA THR 14 HA THR 14 -3.147 23.467 23.794 667 HB THR 14 HB THR 14 -0.840 24.211 23.490 668 HG1 THR 14 HG1 THR 14 -0.099 23.239 25.379 669 HG21 THR 14 HG21 THR 14 0.340 25.572 25.053 670 HG22 THR 14 HG22 THR 14 -1.083 25.765 26.088 671 HG23 THR 14 HG23 THR 14 -1.032 26.529 24.479 672 H GLU 15 H GLU 15 -3.271 26.673 25.541 673 HA GLU 15 HA GLU 15 -4.518 25.477 27.874 674 HB2 GLU 15 HB2 GLU 15 -4.345 28.364 26.925 675 HB3 GLU 15 HB3 GLU 15 -4.963 27.865 28.497 676 HG2 GLU 15 HG2 GLU 15 -2.119 27.398 27.501 677 HG3 GLU 15 HG3 GLU 15 -2.629 28.677 28.588 678 H GLU 16 H GLU 16 -5.779 26.969 24.984 679 HA GLU 16 HA GLU 16 -8.613 26.805 25.829 680 HB2 GLU 16 HB2 GLU 16 -7.416 27.873 23.251 681 HB3 GLU 16 HB3 GLU 16 -9.084 28.037 23.785 682 HG2 GLU 16 HG2 GLU 16 -6.635 29.329 25.046 683 HG3 GLU 16 HG3 GLU 16 -7.886 30.119 24.102 684 H GLU 17 H GLU 17 -6.490 24.651 24.682 685 HA GLU 17 HA GLU 17 -7.745 23.359 22.578 686 HB2 GLU 17 HB2 GLU 17 -5.403 23.090 23.435 687 HB3 GLU 17 HB3 GLU 17 -6.030 22.028 24.707 688 HG2 GLU 17 HG2 GLU 17 -6.820 20.437 22.962 689 HG3 GLU 17 HG3 GLU 17 -6.316 21.580 21.716 690 H GLN 18 H GLN 18 -8.902 23.327 25.728 691 HA GLN 18 HA GLN 18 -10.008 20.979 26.353 692 HB2 GLN 18 HB2 GLN 18 -11.811 21.772 27.501 693 HB3 GLN 18 HB3 GLN 18 -10.499 22.908 27.695 694 HG2 GLN 18 HG2 GLN 18 -12.927 23.200 25.880 695 HG3 GLN 18 HG3 GLN 18 -12.645 23.950 27.483 696 HE21 GLN 18 HE22 GLN 18 -12.419 24.528 24.181 697 HE22 GLN 18 HE21 GLN 18 -11.042 25.633 24.181 698 H LYS 19 H LYS 19 -11.255 22.909 23.739 699 HA LYS 19 HA LYS 19 -13.387 21.423 22.693 700 HB2 LYS 19 HB2 LYS 19 -12.745 23.520 21.762 701 HB3 LYS 19 HB3 LYS 19 -11.130 23.017 21.601 702 HG2 LYS 19 HG2 LYS 19 -12.540 23.345 19.519 703 HG3 LYS 19 HG3 LYS 19 -11.322 22.068 19.697 704 HD2 LYS 19 HD2 LYS 19 -12.694 20.394 19.505 705 HD3 LYS 19 HD3 LYS 19 -14.011 21.156 20.319 706 HE2 LYS 19 HE2 LYS 19 -14.598 20.754 17.943 707 HE3 LYS 19 HE3 LYS 19 -14.471 22.481 18.197 708 HZ1 LYS 19 HZ1 LYS 19 -13.296 21.765 16.160 709 HZ2 LYS 19 HZ2 LYS 19 -12.297 20.813 17.009 710 HZ3 LYS 19 HZ3 LYS 19 -12.237 22.430 17.210 711 H LEU 20 H LEU 20 -10.015 20.996 21.766 712 HA LEU 20 HA LEU 20 -10.497 18.684 20.094 713 HB2 LEU 20 HB2 LEU 20 -7.907 19.975 21.086 714 HB3 LEU 20 HB3 LEU 20 -8.008 18.828 19.809 715 HG LEU 20 HG LEU 20 -7.697 20.684 18.640 716 HD11 LEU 20 HD11 LEU 20 -10.715 20.336 18.660 717 HD12 LEU 20 HD12 LEU 20 -9.547 19.491 17.676 718 HD13 LEU 20 HD13 LEU 20 -9.768 21.238 17.449 719 HD21 LEU 20 HD21 LEU 20 -7.656 22.344 20.228 720 HD22 LEU 20 HD22 LEU 20 -9.331 22.166 20.704 721 HD23 LEU 20 HD23 LEU 20 -8.939 22.816 19.102 722 H LEU 21 H LEU 21 -9.379 19.373 23.232 723 HA LEU 21 HA LEU 21 -8.347 16.928 24.322 724 HB2 LEU 21 HB2 LEU 21 -7.913 18.961 25.410 725 HB3 LEU 21 HB3 LEU 21 -9.539 19.496 25.179 726 HG LEU 21 HG LEU 21 -8.977 19.353 27.481 727 HD11 LEU 21 HD11 LEU 21 -11.383 18.966 26.948 728 HD12 LEU 21 HD12 LEU 21 -10.807 18.333 28.476 729 HD13 LEU 21 HD13 LEU 21 -11.087 17.222 27.139 730 HD21 LEU 21 HD21 LEU 21 -8.907 16.333 27.122 731 HD22 LEU 21 HD22 LEU 21 -8.629 17.255 28.625 732 HD23 LEU 21 HD23 LEU 21 -7.453 17.370 27.300 733 H LEU 22 H LEU 22 -11.753 18.353 24.138 734 HA LEU 22 HA LEU 22 -12.681 16.044 25.685 735 HB2 LEU 22 HB2 LEU 22 -13.863 18.146 25.804 736 HB3 LEU 22 HB3 LEU 22 -14.156 18.181 24.079 737 HG LEU 22 HG LEU 22 -16.136 17.684 25.484 738 HD11 LEU 22 HD11 LEU 22 -15.938 16.876 23.075 739 HD12 LEU 22 HD12 LEU 22 -17.162 16.109 24.105 740 HD13 LEU 22 HD13 LEU 22 -15.661 15.263 23.740 741 HD21 LEU 22 HD21 LEU 22 -14.775 15.028 26.078 742 HD22 LEU 22 HD22 LEU 22 -16.469 15.431 26.427 743 HD23 LEU 22 HD23 LEU 22 -15.169 16.313 27.229 744 H ASN 23 H ASN 23 -12.732 17.086 22.356 745 HA ASN 23 HA ASN 23 -14.040 14.970 21.082 746 HB2 ASN 23 HB2 ASN 23 -11.995 17.113 20.345 747 HB3 ASN 23 HB3 ASN 23 -12.567 16.038 19.159 748 HD21 ASN 23 HD21 ASN 23 -13.076 18.698 18.922 749 HD22 ASN 23 HD22 ASN 23 -14.828 18.875 19.004 750 H ILE 24 H ILE 24 -10.605 15.114 21.958 751 HA ILE 24 HA ILE 24 -10.146 12.441 20.739 752 HB ILE 24 HB ILE 24 -7.914 12.526 21.540 753 HG12 ILE 24 HG12 ILE 24 -8.772 14.938 23.115 754 HG13 ILE 24 HG13 ILE 24 -8.043 13.468 23.676 755 HG21 ILE 24 HG21 ILE 24 -7.074 14.298 20.137 756 HG22 ILE 24 HG22 ILE 24 -8.499 13.565 19.403 757 HG23 ILE 24 HG23 ILE 24 -8.629 15.143 20.187 758 HD11 ILE 24 HD11 ILE 24 -5.905 14.097 22.514 759 HD12 ILE 24 HD12 ILE 24 -6.651 15.661 22.089 760 HD13 ILE 24 HD13 ILE 24 -6.402 15.229 23.789 761 H LEU 25 H LEU 25 -10.855 13.695 23.975 762 HA LEU 25 HA LEU 25 -10.201 11.309 25.391 763 HB2 LEU 25 HB2 LEU 25 -10.303 13.509 26.348 764 HB3 LEU 25 HB3 LEU 25 -12.007 13.677 25.993 765 HG LEU 25 HG LEU 25 -11.379 13.335 28.372 766 HD11 LEU 25 HD11 LEU 25 -13.677 12.908 27.537 767 HD12 LEU 25 HD12 LEU 25 -13.236 11.966 28.973 768 HD13 LEU 25 HD13 LEU 25 -13.278 11.184 27.391 769 HD21 LEU 25 HD21 LEU 25 -10.859 11.141 29.241 770 HD22 LEU 25 HD22 LEU 25 -9.624 11.625 28.065 771 HD23 LEU 25 HD23 LEU 25 -10.868 10.437 27.613 772 H ILE 26 H ILE 26 -13.215 12.380 23.807 773 HA ILE 26 HA ILE 26 -14.745 10.066 24.689 774 HB ILE 26 HB ILE 26 -16.557 10.905 23.388 775 HG12 ILE 26 HG12 ILE 26 -14.802 13.123 22.279 776 HG13 ILE 26 HG13 ILE 26 -15.134 11.645 21.386 777 HG21 ILE 26 HG21 ILE 26 -15.145 13.172 24.830 778 HG22 ILE 26 HG22 ILE 26 -16.883 13.045 24.507 779 HG23 ILE 26 HG23 ILE 26 -16.099 11.886 25.584 780 HD11 ILE 26 HD11 ILE 26 -17.569 12.081 21.530 781 HD12 ILE 26 HD12 ILE 26 -17.226 13.643 22.318 782 HD13 ILE 26 HD13 ILE 26 -16.675 13.347 20.661 783 H ASN 27 H ASN 27 -16.178 9.107 22.764 784 HA ASN 27 HA ASN 27 -14.608 6.970 21.828 785 HB2 ASN 27 HB2 ASN 27 -16.712 6.200 20.832 786 HB3 ASN 27 HB3 ASN 27 -16.960 6.775 22.477 787 HD21 ASN 27 HD21 ASN 27 -18.403 8.598 22.787 788 HD22 ASN 27 HD22 ASN 27 -19.249 9.302 21.425 789 H HIS 28 H HIS 28 -15.454 9.893 20.070 790 HA HIS 28 HA HIS 28 -13.972 8.914 17.689 791 HB2 HIS 28 HB2 HIS 28 -16.357 8.484 17.270 792 HB3 HIS 28 HB3 HIS 28 -16.749 10.159 17.660 793 HD1 HIS 28 HD1 HIS 28 -17.024 11.605 15.507 794 HD2 HIS 28 HD2 HIS 28 -14.398 8.341 15.079 795 HE1 HIS 28 HE1 HIS 28 -16.201 11.661 13.099 796 H GLU 29 H GLU 29 -12.833 10.417 16.580 797 HA GLU 29 HA GLU 29 -12.018 12.795 17.980 798 HB2 GLU 29 HB2 GLU 29 -11.226 11.635 15.290 799 HB3 GLU 29 HB3 GLU 29 -10.459 13.042 16.048 800 HG2 GLU 29 HG2 GLU 29 -9.819 11.690 18.002 801 HG3 GLU 29 HG3 GLU 29 -10.596 10.268 17.306 802 H TYR 30 H TYR 30 -14.124 13.769 18.018 803 HA TYR 30 HA TYR 30 -15.713 14.311 15.899 804 HB2 TYR 30 HB2 TYR 30 -16.255 14.372 18.331 805 HB3 TYR 30 HB3 TYR 30 -15.409 15.925 18.425 806 HD1 TYR 30 HD2 TYR 30 -17.918 14.630 15.904 807 HD2 TYR 30 HD1 TYR 30 -16.974 17.551 18.941 808 HE1 TYR 30 HE2 TYR 30 -19.969 15.879 15.344 809 HE2 TYR 30 HE1 TYR 30 -19.005 18.800 18.385 810 HH TYR 30 HH TYR 30 -20.970 18.834 17.139 811 H ALA 31 H ALA 31 -13.316 16.754 17.111 812 HA ALA 31 HA ALA 31 -13.776 18.938 15.673 813 HB1 ALA 31 HB1 ALA 31 -11.151 17.459 16.002 814 HB2 ALA 31 HB2 ALA 31 -11.309 19.174 15.590 815 HB3 ALA 31 HB3 ALA 31 -11.920 18.570 17.170 816 H ILE 32 H ILE 32 -12.022 16.101 14.255 817 HA ILE 32 HA ILE 32 -11.751 17.080 11.680 818 HB ILE 32 HB ILE 32 -11.966 14.299 12.837 819 HG12 ILE 32 HG12 ILE 32 -9.595 14.100 12.170 820 HG13 ILE 32 HG13 ILE 32 -9.633 15.744 11.534 821 HG21 ILE 32 HG21 ILE 32 -12.774 13.988 10.588 822 HG22 ILE 32 HG22 ILE 32 -11.484 15.033 9.956 823 HG23 ILE 32 HG23 ILE 32 -11.119 13.417 10.667 824 HD11 ILE 32 HD11 ILE 32 -10.239 15.047 14.442 825 HD12 ILE 32 HD12 ILE 32 -8.598 15.350 13.865 826 HD13 ILE 32 HD13 ILE 32 -9.808 16.647 13.770 827 H GLU 33 H GLU 33 -14.476 15.234 13.018 828 HA GLU 33 HA GLU 33 -16.091 15.136 10.661 829 HB2 GLU 33 HB2 GLU 33 -16.508 13.988 12.907 830 HB3 GLU 33 HB3 GLU 33 -17.284 15.514 13.406 831 HG2 GLU 33 HG2 GLU 33 -18.772 15.390 11.436 832 HG3 GLU 33 HG3 GLU 33 -17.994 13.884 10.936 833 H LEU 34 H LEU 34 -15.666 17.691 13.084 834 HA LEU 34 HA LEU 34 -17.498 19.530 11.873 835 HB2 LEU 34 HB2 LEU 34 -15.016 20.424 13.395 836 HB3 LEU 34 HB3 LEU 34 -16.510 21.282 13.123 837 HG LEU 34 HG LEU 34 -15.929 19.061 15.074 838 HD11 LEU 34 HD11 LEU 34 -15.555 21.431 15.703 839 HD12 LEU 34 HD12 LEU 34 -16.817 20.662 16.682 840 HD13 LEU 34 HD13 LEU 34 -17.262 21.777 15.373 841 HD21 LEU 34 HD21 LEU 34 -18.659 19.914 14.088 842 HD22 LEU 34 HD22 LEU 34 -18.360 19.238 15.699 843 HD23 LEU 34 HD23 LEU 34 -17.977 18.264 14.286 844 H LEU 35 H LEU 35 -13.949 19.026 11.366 845 HA LEU 35 HA LEU 35 -13.483 21.169 9.615 846 HB2 LEU 35 HB2 LEU 35 -11.678 19.730 10.447 847 HB3 LEU 35 HB3 LEU 35 -12.336 18.343 9.627 848 HG LEU 35 HG LEU 35 -11.819 19.182 7.464 849 HD11 LEU 35 HD11 LEU 35 -10.427 21.569 8.702 850 HD12 LEU 35 HD12 LEU 35 -11.997 21.657 7.895 851 HD13 LEU 35 HD13 LEU 35 -10.565 21.154 6.992 852 HD21 LEU 35 HD21 LEU 35 -9.450 19.383 9.360 853 HD22 LEU 35 HD22 LEU 35 -9.388 19.052 7.610 854 HD23 LEU 35 HD23 LEU 35 -10.141 17.885 8.702 855 H SER 36 H SER 36 -14.420 17.771 8.592 856 HA SER 36 HA SER 36 -14.553 18.531 5.848 857 HB2 SER 36 HB2 SER 36 -14.265 16.222 6.746 858 HB3 SER 36 HB3 SER 36 -15.982 16.236 7.189 859 HG SER 36 HG SER 36 -14.810 16.409 4.600 860 H SER 37 H SER 37 -17.053 18.395 8.390 861 HA SER 37 HA SER 37 -19.298 18.913 6.742 862 HB2 SER 37 HB2 SER 37 -19.289 18.141 9.145 863 HB3 SER 37 HB3 SER 37 -18.987 19.828 9.617 864 HG SER 37 HG SER 37 -21.221 19.391 9.592 865 H GLU 38 H GLU 38 -17.022 20.984 8.433 866 HA GLU 38 HA GLU 38 -18.212 23.577 7.961 867 HB2 GLU 38 HB2 GLU 38 -15.502 22.601 8.906 868 HB3 GLU 38 HB3 GLU 38 -15.653 24.251 8.467 869 HG2 GLU 38 HG2 GLU 38 -17.476 22.920 10.516 870 HG3 GLU 38 HG3 GLU 38 -15.989 23.776 10.911 871 H ILE 39 H ILE 39 -15.422 21.936 6.332 872 HA ILE 39 HA ILE 39 -14.947 24.126 4.563 873 HB ILE 39 HB ILE 39 -13.746 22.514 3.150 874 HG12 ILE 39 HG12 ILE 39 -13.275 20.272 4.671 875 HG13 ILE 39 HG13 ILE 39 -15.003 20.494 4.886 876 HG21 ILE 39 HG21 ILE 39 -13.146 22.510 6.126 877 HG22 ILE 39 HG22 ILE 39 -11.958 22.142 4.859 878 HG23 ILE 39 HG23 ILE 39 -12.673 23.762 4.958 879 HD11 ILE 39 HD11 ILE 39 -13.503 20.256 2.240 880 HD12 ILE 39 HD12 ILE 39 -14.519 19.004 2.988 881 HD13 ILE 39 HD13 ILE 39 -15.254 20.491 2.365 882 H ASN 40 H ASN 40 -16.937 21.171 4.196 883 HA ASN 40 HA ASN 40 -17.836 22.076 1.581 884 HB2 ASN 40 HB2 ASN 40 -19.104 20.264 1.362 885 HB3 ASN 40 HB3 ASN 40 -17.906 19.679 2.510 886 HD21 ASN 40 HD21 ASN 40 -18.625 19.086 4.559 887 HD22 ASN 40 HD22 ASN 40 -20.330 19.080 4.996 888 H ASP 41 H ASP 41 -19.002 22.963 4.794 889 HA ASP 41 HA ASP 41 -21.479 24.165 3.905 890 HB2 ASP 41 HB2 ASP 41 -20.538 23.637 6.326 891 HB3 ASP 41 HB3 ASP 41 -19.865 25.252 6.207 892 H ILE 42 H ILE 42 -18.092 25.294 3.926 893 HA ILE 42 HA ILE 42 -18.850 27.962 2.887 894 HB ILE 42 HB ILE 42 -16.137 26.611 3.098 895 HG12 ILE 42 HG12 ILE 42 -15.734 28.590 4.659 896 HG13 ILE 42 HG13 ILE 42 -17.455 28.948 4.581 897 HG21 ILE 42 HG21 ILE 42 -15.187 28.830 2.467 898 HG22 ILE 42 HG22 ILE 42 -16.059 28.085 1.138 899 HG23 ILE 42 HG23 ILE 42 -16.820 29.401 2.064 900 HD11 ILE 42 HD11 ILE 42 -16.706 27.609 6.607 901 HD12 ILE 42 HD12 ILE 42 -17.971 26.808 5.670 902 HD13 ILE 42 HD13 ILE 42 -16.257 26.317 5.503 903 H GLU 43 H GLU 43 -17.448 24.991 1.423 904 HA GLU 43 HA GLU 43 -17.120 26.095 -1.152 905 HB2 GLU 43 HB2 GLU 43 -16.133 23.975 -0.087 906 HB3 GLU 43 HB3 GLU 43 -17.602 23.148 -0.516 907 HG2 GLU 43 HG2 GLU 43 -15.806 22.763 -2.178 908 HG3 GLU 43 HG3 GLU 43 -17.238 23.491 -2.883 909 H THR 44 H THR 44 -19.777 24.148 0.113 910 HA THR 44 HA THR 44 -21.421 24.767 -2.317 911 HB THR 44 HB THR 44 -20.581 22.497 -2.488 912 HG1 THR 44 HG1 THR 44 -22.613 22.872 -3.310 913 HG21 THR 44 HG21 THR 44 -21.963 22.031 0.180 914 HG22 THR 44 HG22 THR 44 -20.248 21.798 -0.229 915 HG23 THR 44 HG23 THR 44 -21.468 20.738 -0.937 916 H GLY 45 H GLY 45 -21.496 24.309 1.262 917 HA2 GLY 45 HA2 GLY 45 -24.299 24.928 1.505 918 HA3 GLY 45 HA3 GLY 45 -23.061 25.214 2.728 919 H THR 46 H THR 46 -21.567 26.976 0.764 920 HA THR 46 HA THR 46 -21.292 29.100 0.213 921 HB THR 46 HB THR 46 -24.232 29.549 -0.289 922 HG1 THR 46 HG1 THR 46 -23.928 28.602 -2.286 923 HG21 THR 46 HG21 THR 46 -23.310 30.854 -2.194 924 HG22 THR 46 HG22 THR 46 -21.659 30.385 -1.717 925 HG23 THR 46 HG23 THR 46 -22.629 31.441 -0.671 926 H LYS 47 H LYS 47 -21.259 28.640 2.810 927 HA LYS 47 HA LYS 47 -22.534 30.641 4.452 928 HB2 LYS 47 HB2 LYS 47 -19.812 29.284 4.667 929 HB3 LYS 47 HB3 LYS 47 -20.505 30.293 5.925 930 HG2 LYS 47 HG2 LYS 47 -21.862 27.783 4.881 931 HG3 LYS 47 HG3 LYS 47 -20.727 27.768 6.210 932 HD2 LYS 47 HD2 LYS 47 -23.257 29.466 6.203 933 HD3 LYS 47 HD3 LYS 47 -23.279 27.796 6.686 934 HE2 LYS 47 HE2 LYS 47 -21.618 29.961 8.051 935 HE3 LYS 47 HE3 LYS 47 -23.153 29.294 8.617 936 HZ1 LYS 47 HZ1 LYS 47 -21.931 27.043 8.485 937 HZ2 LYS 47 HZ2 LYS 47 -21.566 28.035 9.754 938 HZ3 LYS 47 HZ3 LYS 47 -20.554 27.905 8.479 939 H ASN 48 H ASN 48 -21.872 32.710 5.042 940 HA ASN 48 HA ASN 48 -19.732 34.057 3.522 941 HB2 ASN 48 HB2 ASN 48 -21.707 34.116 2.021 942 HB3 ASN 48 HB3 ASN 48 -22.680 34.837 3.307 943 HD21 ASN 48 HD21 ASN 48 -19.572 35.417 1.524 944 HD22 ASN 48 HD22 ASN 48 -19.780 37.161 1.508 945 H VAL 49 H VAL 49 -18.655 35.234 4.896 946 HA VAL 49 HA VAL 49 -19.721 37.165 6.733 947 HB VAL 49 HB VAL 49 -20.201 35.274 8.136 948 HG11 VAL 49 HG11 VAL 49 -18.786 33.542 7.186 949 HG12 VAL 49 HG12 VAL 49 -17.336 34.369 7.799 950 HG13 VAL 49 HG13 VAL 49 -18.524 33.670 8.927 951 HG21 VAL 49 HG21 VAL 49 -19.028 35.673 10.152 952 HG22 VAL 49 HG22 VAL 49 -17.627 36.345 9.320 953 HG23 VAL 49 HG23 VAL 49 -19.177 37.233 9.322 954 H ASP 50 H ASP 50 -17.818 38.089 8.010 955 HA ASP 50 HA ASP 50 -15.385 38.644 6.555 956 HB2 ASP 50 HB2 ASP 50 -15.965 38.832 9.530 957 HB3 ASP 50 HB3 ASP 50 -14.736 39.711 8.639 958 H GLY 51 H GLY 51 -13.257 38.248 8.212 959 HA2 GLY 51 HA2 GLY 51 -12.288 35.772 7.711 960 HA3 GLY 51 HA3 GLY 51 -11.698 36.784 9.010 961 H THR 52 H THR 52 -14.726 36.124 10.094 962 HA THR 52 HA THR 52 -14.082 34.273 12.107 963 HB THR 52 HB THR 52 -16.730 34.731 10.676 964 HG1 THR 52 HG1 THR 52 -17.062 36.167 12.406 965 HG21 THR 52 HG21 THR 52 -17.735 34.002 12.821 966 HG22 THR 52 HG22 THR 52 -16.105 33.571 13.420 967 HG23 THR 52 HG23 THR 52 -16.823 32.701 12.041 968 H THR 53 H THR 53 -15.961 33.368 9.052 969 HA THR 53 HA THR 53 -15.687 30.627 9.611 970 HB THR 53 HB THR 53 -17.396 31.744 8.204 971 HG1 THR 53 HG1 THR 53 -17.627 29.972 6.912 972 HG21 THR 53 HG21 THR 53 -17.082 32.065 5.838 973 HG22 THR 53 HG22 THR 53 -15.415 31.466 5.902 974 HG23 THR 53 HG23 THR 53 -15.835 33.023 6.651 975 H TYR 54 H TYR 54 -13.657 32.700 7.604 976 HA TYR 54 HA TYR 54 -11.830 30.870 6.461 977 HB2 TYR 54 HB2 TYR 54 -11.381 33.635 7.687 978 HB3 TYR 54 HB3 TYR 54 -10.179 32.757 6.784 979 HD1 TYR 54 HD1 TYR 54 -13.580 34.335 6.445 980 HD2 TYR 54 HD2 TYR 54 -10.081 32.813 4.431 981 HE1 TYR 54 HE1 TYR 54 -14.386 35.318 4.311 982 HE2 TYR 54 HE2 TYR 54 -10.886 33.808 2.290 983 HH TYR 54 HH TYR 54 -12.534 35.016 1.253 984 H LYS 55 H LYS 55 -11.498 32.661 9.582 985 HA LYS 55 HA LYS 55 -9.315 31.315 10.487 986 HB2 LYS 55 HB2 LYS 55 -10.114 33.546 11.138 987 HB3 LYS 55 HB3 LYS 55 -11.436 32.848 12.008 988 HG2 LYS 55 HG2 LYS 55 -9.679 33.085 13.700 989 HG3 LYS 55 HG3 LYS 55 -9.410 31.436 13.187 990 HD2 LYS 55 HD2 LYS 55 -7.959 32.624 11.262 991 HD3 LYS 55 HD3 LYS 55 -7.906 33.946 12.415 992 HE2 LYS 55 HE2 LYS 55 -7.055 32.380 14.185 993 HE3 LYS 55 HE3 LYS 55 -7.027 31.079 12.993 994 HZ1 LYS 55 HZ1 LYS 55 -5.434 33.587 12.823 995 HZ2 LYS 55 HZ2 LYS 55 -5.407 32.395 11.706 996 HZ3 LYS 55 HZ3 LYS 55 -4.841 32.120 13.213 997 H LYS 56 H LYS 56 -12.729 30.518 11.327 998 HA LYS 56 HA LYS 56 -12.186 28.230 12.973 999 HB2 LYS 56 HB2 LYS 56 -14.497 28.982 11.215 1000 HB3 LYS 56 HB3 LYS 56 -14.374 27.359 11.915 1001 HG2 LYS 56 HG2 LYS 56 -15.478 28.370 13.605 1002 HG3 LYS 56 HG3 LYS 56 -13.842 28.743 14.154 1003 HD2 LYS 56 HD2 LYS 56 -13.940 30.956 13.226 1004 HD3 LYS 56 HD3 LYS 56 -15.574 30.689 12.561 1005 HE2 LYS 56 HE2 LYS 56 -14.818 30.287 15.452 1006 HE3 LYS 56 HE3 LYS 56 -15.294 31.888 14.850 1007 HZ1 LYS 56 HZ1 LYS 56 -17.010 29.456 14.821 1008 HZ2 LYS 56 HZ2 LYS 56 -17.463 30.924 14.244 1009 HZ3 LYS 56 HZ3 LYS 56 -17.174 30.710 15.838 1010 H LEU 57 H LEU 57 -12.323 28.253 9.333 1011 HA LEU 57 HA LEU 57 -11.675 25.396 9.462 1012 HB2 LEU 57 HB2 LEU 57 -12.177 25.149 7.397 1013 HB3 LEU 57 HB3 LEU 57 -13.335 26.339 7.943 1014 HG LEU 57 HG LEU 57 -11.687 28.093 6.814 1015 HD11 LEU 57 HD11 LEU 57 -9.865 26.570 6.133 1016 HD12 LEU 57 HD12 LEU 57 -10.699 27.158 4.702 1017 HD13 LEU 57 HD13 LEU 57 -11.027 25.523 5.293 1018 HD21 LEU 57 HD21 LEU 57 -13.996 27.664 6.128 1019 HD22 LEU 57 HD22 LEU 57 -13.485 26.232 5.203 1020 HD23 LEU 57 HD23 LEU 57 -12.958 27.860 4.712 1021 H VAL 58 H VAL 58 -9.734 28.290 8.902 1022 HA VAL 58 HA VAL 58 -7.422 26.637 8.190 1023 HB VAL 58 HB VAL 58 -7.886 28.965 7.340 1024 HG11 VAL 58 HG11 VAL 58 -7.278 30.880 8.563 1025 HG12 VAL 58 HG12 VAL 58 -8.236 29.898 9.677 1026 HG13 VAL 58 HG13 VAL 58 -6.481 29.933 9.853 1027 HG21 VAL 58 HG21 VAL 58 -5.527 29.552 7.164 1028 HG22 VAL 58 HG22 VAL 58 -5.127 28.426 8.477 1029 HG23 VAL 58 HG23 VAL 58 -5.766 27.814 6.929 1030 H THR 59 H THR 59 -8.819 27.785 11.178 1031 HA THR 59 HA THR 59 -6.424 27.291 12.786 1032 HB THR 59 HB THR 59 -8.334 28.807 13.492 1033 HG1 THR 59 HG1 THR 59 -6.744 28.335 14.895 1034 HG21 THR 59 HG21 THR 59 -9.638 26.130 14.154 1035 HG22 THR 59 HG22 THR 59 -10.236 27.481 13.233 1036 HG23 THR 59 HG23 THR 59 -10.028 27.653 14.975 1037 H LEU 60 H LEU 60 -9.348 25.476 11.824 1038 HA LEU 60 HA LEU 60 -9.033 23.041 13.090 1039 HB2 LEU 60 HB2 LEU 60 -10.104 23.840 10.499 1040 HB3 LEU 60 HB3 LEU 60 -9.344 22.262 10.410 1041 HG LEU 60 HG LEU 60 -11.635 22.008 10.806 1042 HD11 LEU 60 HD11 LEU 60 -11.717 20.517 12.613 1043 HD12 LEU 60 HD12 LEU 60 -10.362 21.293 13.467 1044 HD13 LEU 60 HD13 LEU 60 -10.087 20.384 11.962 1045 HD21 LEU 60 HD21 LEU 60 -12.739 22.758 12.875 1046 HD22 LEU 60 HD22 LEU 60 -12.235 24.048 11.779 1047 HD23 LEU 60 HD23 LEU 60 -11.276 23.738 13.241 1048 H TYR 61 H TYR 61 -7.380 23.775 10.052 1049 HA TYR 61 HA TYR 61 -5.545 21.514 10.117 1050 HB2 TYR 61 HB2 TYR 61 -5.076 22.114 8.048 1051 HB3 TYR 61 HB3 TYR 61 -6.178 23.456 8.210 1052 HD1 TYR 61 HD2 TYR 61 -2.678 22.325 8.392 1053 HD2 TYR 61 HD1 TYR 61 -5.254 25.742 8.229 1054 HE1 TYR 61 HE2 TYR 61 -0.715 23.757 7.844 1055 HE2 TYR 61 HE1 TYR 61 -3.282 27.209 7.787 1056 HH TYR 61 HH TYR 61 0.029 25.900 7.460 1057 H ASP 62 H ASP 62 -5.194 24.757 11.152 1058 HA ASP 62 HA ASP 62 -2.415 24.827 11.731 1059 HB2 ASP 62 HB2 ASP 62 -3.843 26.850 11.530 1060 HB3 ASP 62 HB3 ASP 62 -4.529 26.479 13.122 1061 H ARG 63 H ARG 63 -5.005 23.470 13.733 1062 HA ARG 63 HA ARG 63 -2.724 22.490 15.478 1063 HB2 ARG 63 HB2 ARG 63 -5.628 22.585 16.310 1064 HB3 ARG 63 HB3 ARG 63 -4.302 21.809 17.171 1065 HG2 ARG 63 HG2 ARG 63 -4.474 24.784 16.741 1066 HG3 ARG 63 HG3 ARG 63 -4.950 23.842 18.181 1067 HD2 ARG 63 HD2 ARG 63 -2.157 23.645 17.255 1068 HD3 ARG 63 HD3 ARG 63 -2.691 25.080 18.146 1069 HE ARG 63 HE ARG 63 -3.452 22.533 19.406 1070 HH11 ARG 63 HH12 ARG 63 -0.953 24.987 19.379 1071 HH12 ARG 63 HH11 ARG 63 -0.259 24.410 20.863 1072 HH21 ARG 63 HH21 ARG 63 -2.611 21.920 21.335 1073 HH22 ARG 63 HH22 ARG 63 -1.136 22.659 21.898 1074 H PHE 64 H PHE 64 -5.438 21.324 13.487 1075 HA PHE 64 HA PHE 64 -5.464 18.657 14.330 1076 HB2 PHE 64 HB2 PHE 64 -7.138 19.280 12.798 1077 HB3 PHE 64 HB3 PHE 64 -5.967 20.022 11.701 1078 HD1 PHE 64 HD1 PHE 64 -7.067 16.667 12.959 1079 HD2 PHE 64 HD2 PHE 64 -5.093 18.890 9.856 1080 HE1 PHE 64 HE1 PHE 64 -6.890 14.595 11.584 1081 HE2 PHE 64 HE2 PHE 64 -4.821 16.826 8.517 1082 HZ PHE 64 HZ PHE 64 -5.730 14.660 9.390 1083 H ARG 65 H ARG 65 -3.345 20.040 11.729 1084 HA ARG 65 HA ARG 65 -2.188 17.341 11.410 1085 HB2 ARG 65 HB2 ARG 65 -1.358 17.962 9.469 1086 HB3 ARG 65 HB3 ARG 65 -2.841 18.935 9.619 1087 HG2 ARG 65 HG2 ARG 65 -1.651 20.942 9.874 1088 HG3 ARG 65 HG3 ARG 65 -0.075 20.086 9.841 1089 HD2 ARG 65 HD2 ARG 65 -2.167 20.317 7.630 1090 HD3 ARG 65 HD3 ARG 65 -0.578 21.072 7.647 1091 HE ARG 65 HE ARG 65 -1.134 18.114 7.391 1092 HH11 ARG 65 HH11 ARG 65 1.077 20.732 6.569 1093 HH12 ARG 65 HH12 ARG 65 1.969 19.692 5.493 1094 HH21 ARG 65 HH21 ARG 65 -0.058 16.950 6.119 1095 HH22 ARG 65 HH22 ARG 65 1.359 17.538 5.249 1096 H PHE 66 H PHE 66 -1.112 20.373 12.337 1097 HA PHE 66 HA PHE 66 1.588 19.797 13.139 1098 HB2 PHE 66 HB2 PHE 66 -0.388 21.953 13.898 1099 HB3 PHE 66 HB3 PHE 66 1.258 21.933 14.520 1100 HD1 PHE 66 HD2 PHE 66 3.209 21.869 12.819 1101 HD2 PHE 66 HD1 PHE 66 -0.834 22.978 11.797 1102 HE1 PHE 66 HE2 PHE 66 4.055 23.139 10.857 1103 HE2 PHE 66 HE1 PHE 66 0.030 24.341 9.915 1104 HZ PHE 66 HZ PHE 66 2.463 24.390 9.407 1105 H GLU 67 H GLU 67 -1.287 20.116 15.333 1106 HA GLU 67 HA GLU 67 0.520 19.401 17.584 1107 HB2 GLU 67 HB2 GLU 67 -1.947 21.255 17.507 1108 HB3 GLU 67 HB3 GLU 67 -1.073 20.752 18.937 1109 HG2 GLU 67 HG2 GLU 67 0.111 22.229 16.553 1110 HG3 GLU 67 HG3 GLU 67 -0.270 22.957 18.083 1111 H ASN 68 H ASN 68 -2.810 18.858 16.652 1112 HA ASN 68 HA ASN 68 -2.932 16.611 18.580 1113 HB2 ASN 68 HB2 ASN 68 -5.345 17.280 19.092 1114 HB3 ASN 68 HB3 ASN 68 -4.026 18.162 19.828 1115 HD21 ASN 68 HD22 ASN 68 -4.453 20.303 20.020 1116 HD22 ASN 68 HD21 ASN 68 -5.468 21.171 18.869 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -4.406 -11.046 -0.266 2 H2 GLY 1 H2 GLY 1 -5.859 -11.796 -0.362 3 H3 GLY 1 H3 GLY 1 -5.688 -10.455 0.565 4 HA2 GLY 1 HA2 GLY 1 -5.447 -10.539 -2.373 5 HA3 GLY 1 HA3 GLY 1 -6.848 -9.920 -1.480 6 H SER 2 H SER 2 -4.677 -8.708 -3.333 7 HA SER 2 HA SER 2 -3.354 -6.686 -1.691 8 HB2 SER 2 HB2 SER 2 -3.623 -6.888 -4.711 9 HB3 SER 2 HB3 SER 2 -2.498 -5.848 -3.823 10 HG SER 2 HG SER 2 -1.467 -7.711 -3.021 11 H HIS 3 H HIS 3 -3.604 -4.415 -1.902 12 HA HIS 3 HA HIS 3 -6.258 -3.428 -2.852 13 HB2 HIS 3 HB2 HIS 3 -4.780 -2.570 -0.339 14 HB3 HIS 3 HB3 HIS 3 -6.296 -1.854 -0.894 15 HD1 HIS 3 HD1 HIS 3 -4.986 -4.719 1.150 16 HD2 HIS 3 HD2 HIS 3 -8.378 -3.896 -1.190 17 HE1 HIS 3 HE1 HIS 3 -6.698 -6.517 1.715 18 H MET 4 H MET 4 -6.303 -1.462 -3.824 19 HA MET 4 HA MET 4 -3.738 -0.051 -4.435 20 HB2 MET 4 HB2 MET 4 -6.072 -0.615 -6.319 21 HB3 MET 4 HB3 MET 4 -4.727 0.470 -6.679 22 HG2 MET 4 HG2 MET 4 -4.466 -2.510 -6.134 23 HG3 MET 4 HG3 MET 4 -4.479 -1.753 -7.723 24 HE1 MET 4 HE1 MET 4 -0.787 -3.037 -7.308 25 HE2 MET 4 HE2 MET 4 -2.249 -3.794 -6.639 26 HE3 MET 4 HE3 MET 4 -2.270 -3.116 -8.284 27 H ARG 5 H ARG 5 -4.129 2.264 -5.024 28 HA ARG 5 HA ARG 5 -6.560 3.429 -3.721 29 HB2 ARG 5 HB2 ARG 5 -4.471 3.303 -2.254 30 HB3 ARG 5 HB3 ARG 5 -3.754 4.513 -3.294 31 HG2 ARG 5 HG2 ARG 5 -5.783 5.980 -2.725 32 HG3 ARG 5 HG3 ARG 5 -6.328 4.798 -1.681 33 HD2 ARG 5 HD2 ARG 5 -5.175 6.554 -0.468 34 HD3 ARG 5 HD3 ARG 5 -4.713 4.886 -0.126 35 HE ARG 5 HE ARG 5 -2.924 6.165 -2.037 36 HH11 ARG 5 HH11 ARG 5 -3.613 5.833 1.394 37 HH12 ARG 5 HH12 ARG 5 -1.953 6.133 1.846 38 HH21 ARG 5 HH21 ARG 5 -0.813 6.550 -1.371 39 HH22 ARG 5 HH22 ARG 5 -0.420 6.521 0.321 40 H MET 6 H MET 6 -7.321 5.329 -4.624 41 HA MET 6 HA MET 6 -5.653 6.567 -6.725 42 HB2 MET 6 HB2 MET 6 -8.677 6.322 -6.858 43 HB3 MET 6 HB3 MET 6 -7.626 6.969 -8.118 44 HG2 MET 6 HG2 MET 6 -7.678 4.107 -7.113 45 HG3 MET 6 HG3 MET 6 -8.487 4.679 -8.571 46 HE1 MET 6 HE1 MET 6 -5.568 2.330 -9.842 47 HE2 MET 6 HE2 MET 6 -6.418 2.174 -8.289 48 HE3 MET 6 HE3 MET 6 -7.328 2.567 -9.767 49 H SER 7 H SER 7 -4.992 7.716 -4.811 50 HA SER 7 HA SER 7 -6.809 9.613 -3.601 51 HB2 SER 7 HB2 SER 7 -3.785 9.515 -3.516 52 HB3 SER 7 HB3 SER 7 -4.784 10.696 -2.633 53 HG SER 7 HG SER 7 -4.114 8.462 -1.687 54 H LEU 8 H LEU 8 -6.361 12.067 -6.398 55 HA LEU 8 HA LEU 8 -8.466 10.718 -4.902 56 HB2 LEU 8 HB2 LEU 8 -8.011 13.752 -5.215 57 HB3 LEU 8 HB3 LEU 8 -9.491 13.040 -4.700 58 HG LEU 8 HG LEU 8 -7.095 12.195 -3.094 59 HD11 LEU 8 HD11 LEU 8 -6.589 14.548 -3.370 60 HD12 LEU 8 HD12 LEU 8 -7.202 14.232 -1.744 61 HD13 LEU 8 HD13 LEU 8 -8.273 14.988 -2.955 62 HD21 LEU 8 HD21 LEU 8 -8.799 12.368 -1.343 63 HD22 LEU 8 HD22 LEU 8 -9.437 11.482 -2.775 64 HD23 LEU 8 HD23 LEU 8 -9.899 13.175 -2.489 65 H ILE 9 H ILE 9 -10.163 10.390 -6.369 66 HA ILE 9 HA ILE 9 -9.798 11.248 -9.133 67 HB ILE 9 HB ILE 9 -12.260 9.814 -8.205 68 HG12 ILE 9 HG12 ILE 9 -9.468 8.602 -8.164 69 HG13 ILE 9 HG13 ILE 9 -10.557 8.705 -6.848 70 HG21 ILE 9 HG21 ILE 9 -10.364 9.334 -10.545 71 HG22 ILE 9 HG22 ILE 9 -11.992 8.657 -10.335 72 HG23 ILE 9 HG23 ILE 9 -11.799 10.385 -10.623 73 HD11 ILE 9 HD11 ILE 9 -10.912 6.876 -9.192 74 HD12 ILE 9 HD12 ILE 9 -10.787 6.501 -7.456 75 HD13 ILE 9 HD13 ILE 9 -12.231 7.318 -8.067 76 H GLY 10 H GLY 10 -11.873 12.174 -6.455 77 HA2 GLY 10 HA2 GLY 10 -13.192 14.150 -6.325 78 HA3 GLY 10 HA3 GLY 10 -13.243 14.278 -8.059 79 H GLU 11 H GLU 11 -13.815 11.076 -7.002 80 HA GLU 11 HA GLU 11 -16.687 11.358 -6.362 81 HB2 GLU 11 HB2 GLU 11 -16.978 9.212 -7.853 82 HB3 GLU 11 HB3 GLU 11 -17.227 10.846 -8.499 83 HG2 GLU 11 HG2 GLU 11 -14.944 10.773 -9.511 84 HG3 GLU 11 HG3 GLU 11 -14.733 9.135 -8.887 85 H ARG 12 H ARG 12 -14.600 8.593 -7.157 86 HA ARG 12 HA ARG 12 -13.880 6.799 -6.055 87 HB2 ARG 12 HB2 ARG 12 -13.592 8.160 -3.458 88 HB3 ARG 12 HB3 ARG 12 -12.588 7.028 -4.282 89 HG2 ARG 12 HG2 ARG 12 -11.224 8.635 -4.810 90 HG3 ARG 12 HG3 ARG 12 -12.414 9.379 -5.852 91 HD2 ARG 12 HD2 ARG 12 -11.705 9.915 -2.932 92 HD3 ARG 12 HD3 ARG 12 -11.717 11.088 -4.254 93 HE ARG 12 HE ARG 12 -14.351 10.442 -4.116 94 HH11 ARG 12 HH12 ARG 12 -12.326 11.287 -1.367 95 HH12 ARG 12 HH11 ARG 12 -13.734 11.377 -0.336 96 HH21 ARG 12 HH21 ARG 12 -15.936 10.843 -2.910 97 HH22 ARG 12 HH22 ARG 12 -15.754 11.519 -1.323 98 H PHE 13 H PHE 13 -16.432 6.359 -6.291 99 HA PHE 13 HA PHE 13 -17.128 5.060 -3.704 100 HB2 PHE 13 HB2 PHE 13 -19.473 5.565 -4.162 101 HB3 PHE 13 HB3 PHE 13 -18.401 6.919 -3.817 102 HD1 PHE 13 HD1 PHE 13 -20.046 5.153 -6.709 103 HD2 PHE 13 HD2 PHE 13 -18.479 8.836 -5.108 104 HE1 PHE 13 HE1 PHE 13 -20.971 6.391 -8.655 105 HE2 PHE 13 HE2 PHE 13 -19.446 10.082 -7.036 106 HZ PHE 13 HZ PHE 13 -20.679 8.857 -8.816 107 H THR 14 H THR 14 -19.142 3.329 -4.248 108 HA THR 14 HA THR 14 -18.112 1.174 -3.827 109 HB THR 14 HB THR 14 -20.309 1.283 -4.463 110 HG1 THR 14 HG1 THR 14 -20.497 -0.710 -5.459 111 HG21 THR 14 HG21 THR 14 -20.153 2.644 -6.588 112 HG22 THR 14 HG22 THR 14 -21.245 1.260 -6.651 113 HG23 THR 14 HG23 THR 14 -19.667 1.158 -7.436 114 H GLU 15 H GLU 15 -17.879 1.351 -7.384 115 HA GLU 15 HA GLU 15 -15.739 -0.624 -7.432 116 HB2 GLU 15 HB2 GLU 15 -17.056 1.179 -9.494 117 HB3 GLU 15 HB3 GLU 15 -15.775 0.018 -9.903 118 HG2 GLU 15 HG2 GLU 15 -17.173 -1.831 -8.987 119 HG3 GLU 15 HG3 GLU 15 -18.476 -0.684 -8.673 120 H GLU 16 H GLU 16 -15.801 2.802 -7.076 121 HA GLU 16 HA GLU 16 -12.912 3.113 -7.713 122 HB2 GLU 16 HB2 GLU 16 -15.050 5.255 -7.532 123 HB3 GLU 16 HB3 GLU 16 -13.390 5.452 -8.047 124 HG2 GLU 16 HG2 GLU 16 -15.595 3.959 -9.519 125 HG3 GLU 16 HG3 GLU 16 -14.883 5.502 -9.957 126 H GLU 17 H GLU 17 -14.922 2.612 -5.069 127 HA GLU 17 HA GLU 17 -13.977 4.522 -3.196 128 HB2 GLU 17 HB2 GLU 17 -15.985 2.924 -3.034 129 HB3 GLU 17 HB3 GLU 17 -14.827 1.687 -2.531 130 HG2 GLU 17 HG2 GLU 17 -14.133 3.211 -0.612 131 HG3 GLU 17 HG3 GLU 17 -15.327 4.376 -1.192 132 H GLN 18 H GLN 18 -12.356 1.759 -4.332 133 HA GLN 18 HA GLN 18 -10.609 0.914 -2.578 134 HB2 GLN 18 HB2 GLN 18 -9.004 0.286 -4.086 135 HB3 GLN 18 HB3 GLN 18 -10.440 0.357 -5.075 136 HG2 GLN 18 HG2 GLN 18 -8.279 2.497 -4.982 137 HG3 GLN 18 HG3 GLN 18 -8.476 1.188 -6.172 138 HE21 GLN 18 HE22 GLN 18 -9.399 4.405 -5.426 139 HE22 GLN 18 HE21 GLN 18 -10.842 4.483 -6.428 140 H LYS 19 H LYS 19 -10.319 4.127 -3.768 141 HA LYS 19 HA LYS 19 -8.041 5.126 -2.451 142 HB2 LYS 19 HB2 LYS 19 -9.250 6.508 -3.915 143 HB3 LYS 19 HB3 LYS 19 -10.728 6.135 -3.170 144 HG2 LYS 19 HG2 LYS 19 -9.769 8.463 -2.925 145 HG3 LYS 19 HG3 LYS 19 -10.546 7.645 -1.562 146 HD2 LYS 19 HD2 LYS 19 -8.853 7.680 -0.246 147 HD3 LYS 19 HD3 LYS 19 -7.670 7.348 -1.502 148 HE2 LYS 19 HE2 LYS 19 -8.146 9.816 -2.259 149 HE3 LYS 19 HE3 LYS 19 -9.125 9.987 -0.806 150 HZ1 LYS 19 HZ1 LYS 19 -6.882 10.873 -0.501 151 HZ2 LYS 19 HZ2 LYS 19 -6.194 9.448 -0.870 152 HZ3 LYS 19 HZ3 LYS 19 -7.077 9.619 0.519 153 H LEU 20 H LEU 20 -11.313 5.167 -1.122 154 HA LEU 20 HA LEU 20 -10.450 5.962 1.514 155 HB2 LEU 20 HB2 LEU 20 -13.191 4.904 0.651 156 HB3 LEU 20 HB3 LEU 20 -12.843 5.825 2.064 157 HG LEU 20 HG LEU 20 -13.907 7.309 0.781 158 HD11 LEU 20 HD11 LEU 20 -10.918 7.872 0.513 159 HD12 LEU 20 HD12 LEU 20 -12.041 8.400 1.748 160 HD13 LEU 20 HD13 LEU 20 -12.199 9.025 0.091 161 HD21 LEU 20 HD21 LEU 20 -12.287 6.589 -1.701 162 HD22 LEU 20 HD22 LEU 20 -13.741 7.612 -1.492 163 HD23 LEU 20 HD23 LEU 20 -13.804 5.879 -1.232 164 H LEU 21 H LEU 21 -11.423 3.052 -0.103 165 HA LEU 21 HA LEU 21 -11.647 1.242 2.137 166 HB2 LEU 21 HB2 LEU 21 -12.430 -0.009 0.436 167 HB3 LEU 21 HB3 LEU 21 -11.642 0.971 -0.774 168 HG LEU 21 HG LEU 21 -9.505 -0.249 -0.352 169 HD11 LEU 21 HD11 LEU 21 -10.259 -1.251 2.006 170 HD12 LEU 21 HD12 LEU 21 -9.490 -2.375 0.892 171 HD13 LEU 21 HD13 LEU 21 -11.256 -2.340 1.085 172 HD21 LEU 21 HD21 LEU 21 -10.905 -1.024 -2.206 173 HD22 LEU 21 HD22 LEU 21 -11.459 -2.331 -1.152 174 HD23 LEU 21 HD23 LEU 21 -9.704 -2.089 -1.474 175 H LEU 22 H LEU 22 -8.749 2.376 0.078 176 HA LEU 22 HA LEU 22 -7.337 0.168 1.297 177 HB2 LEU 22 HB2 LEU 22 -6.551 0.925 -0.799 178 HB3 LEU 22 HB3 LEU 22 -6.223 2.567 -0.239 179 HG LEU 22 HG LEU 22 -4.852 0.243 1.141 180 HD11 LEU 22 HD11 LEU 22 -3.827 1.365 -1.491 181 HD12 LEU 22 HD12 LEU 22 -4.602 -0.206 -1.286 182 HD13 LEU 22 HD13 LEU 22 -3.070 0.127 -0.472 183 HD21 LEU 22 HD21 LEU 22 -4.393 2.613 1.915 184 HD22 LEU 22 HD22 LEU 22 -3.754 2.964 0.298 185 HD23 LEU 22 HD23 LEU 22 -2.962 1.770 1.333 186 H ASN 23 H ASN 23 -7.587 3.600 1.636 187 HA ASN 23 HA ASN 23 -5.944 4.327 3.792 188 HB2 ASN 23 HB2 ASN 23 -8.518 5.364 2.529 189 HB3 ASN 23 HB3 ASN 23 -7.838 6.168 3.843 190 HD21 ASN 23 HD21 ASN 23 -8.104 7.279 1.391 191 HD22 ASN 23 HD22 ASN 23 -6.557 7.427 0.590 192 H ILE 24 H ILE 24 -9.397 3.153 4.083 193 HA ILE 24 HA ILE 24 -9.204 3.504 7.009 194 HB ILE 24 HB ILE 24 -11.326 2.440 7.208 195 HG12 ILE 24 HG12 ILE 24 -11.066 1.759 4.283 196 HG13 ILE 24 HG13 ILE 24 -11.199 0.668 5.623 197 HG21 ILE 24 HG21 ILE 24 -11.402 4.504 4.985 198 HG22 ILE 24 HG22 ILE 24 -12.687 4.122 6.142 199 HG23 ILE 24 HG23 ILE 24 -11.179 4.839 6.707 200 HD11 ILE 24 HD11 ILE 24 -13.536 1.507 6.045 201 HD12 ILE 24 HD12 ILE 24 -13.397 2.490 4.563 202 HD13 ILE 24 HD13 ILE 24 -13.313 0.724 4.466 203 H LEU 25 H LEU 25 -8.498 0.933 4.750 204 HA LEU 25 HA LEU 25 -8.550 -1.136 6.724 205 HB2 LEU 25 HB2 LEU 25 -9.065 -1.421 4.323 206 HB3 LEU 25 HB3 LEU 25 -7.377 -1.099 3.920 207 HG LEU 25 HG LEU 25 -6.677 -3.147 5.103 208 HD11 LEU 25 HD11 LEU 25 -9.656 -3.479 5.676 209 HD12 LEU 25 HD12 LEU 25 -8.350 -3.321 6.874 210 HD13 LEU 25 HD13 LEU 25 -8.441 -4.768 5.868 211 HD21 LEU 25 HD21 LEU 25 -7.357 -3.245 2.727 212 HD22 LEU 25 HD22 LEU 25 -9.019 -3.631 3.215 213 HD23 LEU 25 HD23 LEU 25 -7.699 -4.763 3.579 214 H ILE 26 H ILE 26 -6.001 0.957 5.446 215 HA ILE 26 HA ILE 26 -3.830 -0.386 6.874 216 HB ILE 26 HB ILE 26 -2.414 1.407 6.142 217 HG12 ILE 26 HG12 ILE 26 -4.788 2.768 4.841 218 HG13 ILE 26 HG13 ILE 26 -4.159 3.262 6.412 219 HG21 ILE 26 HG21 ILE 26 -2.899 -0.466 4.635 220 HG22 ILE 26 HG22 ILE 26 -4.197 0.455 3.867 221 HG23 ILE 26 HG23 ILE 26 -2.521 1.014 3.750 222 HD11 ILE 26 HD11 ILE 26 -3.239 4.695 4.702 223 HD12 ILE 26 HD12 ILE 26 -1.938 3.694 5.381 224 HD13 ILE 26 HD13 ILE 26 -2.627 3.312 3.782 225 H ASN 27 H ASN 27 -2.369 1.478 8.063 226 HA ASN 27 HA ASN 27 -3.357 1.344 10.676 227 HB2 ASN 27 HB2 ASN 27 -1.301 2.597 11.253 228 HB3 ASN 27 HB3 ASN 27 -1.003 1.258 10.156 229 HD21 ASN 27 HD21 ASN 27 -0.108 1.726 8.051 230 HD22 ASN 27 HD22 ASN 27 0.301 3.372 7.609 231 H HIS 28 H HIS 28 -3.653 4.128 8.483 232 HA HIS 28 HA HIS 28 -5.431 5.422 10.457 233 HB2 HIS 28 HB2 HIS 28 -3.067 6.817 9.135 234 HB3 HIS 28 HB3 HIS 28 -4.392 7.658 9.931 235 HD1 HIS 28 HD1 HIS 28 -1.261 5.667 10.771 236 HD2 HIS 28 HD2 HIS 28 -4.535 7.535 12.642 237 HE1 HIS 28 HE1 HIS 28 -0.652 5.867 13.249 238 H GLU 29 H GLU 29 -7.012 6.674 9.635 239 HA GLU 29 HA GLU 29 -7.962 6.062 6.987 240 HB2 GLU 29 HB2 GLU 29 -9.924 7.408 7.637 241 HB3 GLU 29 HB3 GLU 29 -9.558 6.065 8.697 242 HG2 GLU 29 HG2 GLU 29 -8.601 8.850 9.439 243 HG3 GLU 29 HG3 GLU 29 -10.281 8.394 9.670 244 H TYR 30 H TYR 30 -6.042 6.943 6.014 245 HA TYR 30 HA TYR 30 -5.065 9.434 5.999 246 HB2 TYR 30 HB2 TYR 30 -4.117 7.361 5.016 247 HB3 TYR 30 HB3 TYR 30 -5.270 7.518 3.687 248 HD1 TYR 30 HD2 TYR 30 -2.678 9.677 5.391 249 HD2 TYR 30 HD1 TYR 30 -4.436 8.338 1.687 250 HE1 TYR 30 HE2 TYR 30 -1.034 11.030 4.115 251 HE2 TYR 30 HE1 TYR 30 -2.777 9.641 0.413 252 HH TYR 30 HH TYR 30 -0.887 10.978 0.527 253 H ALA 31 H ALA 31 -7.967 8.648 3.994 254 HA ALA 31 HA ALA 31 -7.885 10.669 2.145 255 HB1 ALA 31 HB1 ALA 31 -9.592 8.938 2.297 256 HB2 ALA 31 HB2 ALA 31 -10.271 9.723 3.754 257 HB3 ALA 31 HB3 ALA 31 -10.323 10.560 2.188 258 H ILE 32 H ILE 32 -9.017 10.966 5.548 259 HA ILE 32 HA ILE 32 -9.654 13.682 5.379 260 HB ILE 32 HB ILE 32 -9.172 11.682 7.551 261 HG12 ILE 32 HG12 ILE 32 -11.336 11.693 6.510 262 HG13 ILE 32 HG13 ILE 32 -11.487 12.267 8.159 263 HG21 ILE 32 HG21 ILE 32 -8.091 13.588 8.557 264 HG22 ILE 32 HG22 ILE 32 -9.514 14.604 8.248 265 HG23 ILE 32 HG23 ILE 32 -9.589 13.186 9.348 266 HD11 ILE 32 HD11 ILE 32 -12.929 13.647 6.850 267 HD12 ILE 32 HD12 ILE 32 -11.530 14.665 7.180 268 HD13 ILE 32 HD13 ILE 32 -11.739 13.881 5.591 269 H GLU 33 H GLU 33 -6.501 12.298 6.075 270 HA GLU 33 HA GLU 33 -5.187 14.738 6.764 271 HB2 GLU 33 HB2 GLU 33 -4.157 12.449 6.841 272 HB3 GLU 33 HB3 GLU 33 -3.883 12.591 5.082 273 HG2 GLU 33 HG2 GLU 33 -2.639 14.700 5.456 274 HG3 GLU 33 HG3 GLU 33 -2.948 14.589 7.190 275 H LEU 34 H LEU 34 -5.930 13.380 3.544 276 HA LEU 34 HA LEU 34 -4.905 15.596 2.033 277 HB2 LEU 34 HB2 LEU 34 -6.855 13.327 1.506 278 HB3 LEU 34 HB3 LEU 34 -6.710 14.636 0.373 279 HG LEU 34 HG LEU 34 -5.388 12.570 -0.095 280 HD11 LEU 34 HD11 LEU 34 -3.727 15.118 0.133 281 HD12 LEU 34 HD12 LEU 34 -4.876 14.765 -1.172 282 HD13 LEU 34 HD13 LEU 34 -3.433 13.761 -0.971 283 HD21 LEU 34 HD21 LEU 34 -3.234 12.231 0.891 284 HD22 LEU 34 HD22 LEU 34 -4.512 12.040 2.108 285 HD23 LEU 34 HD23 LEU 34 -3.504 13.513 2.073 286 H LEU 35 H LEU 35 -8.140 14.982 3.534 287 HA LEU 35 HA LEU 35 -9.505 17.134 2.278 288 HB2 LEU 35 HB2 LEU 35 -10.466 15.284 3.695 289 HB3 LEU 35 HB3 LEU 35 -9.836 16.027 5.119 290 HG LEU 35 HG LEU 35 -12.364 16.255 4.328 291 HD11 LEU 35 HD11 LEU 35 -10.851 18.486 5.714 292 HD12 LEU 35 HD12 LEU 35 -11.447 16.995 6.480 293 HD13 LEU 35 HD13 LEU 35 -12.597 18.160 5.812 294 HD21 LEU 35 HD21 LEU 35 -11.270 18.915 3.384 295 HD22 LEU 35 HD22 LEU 35 -12.949 18.372 3.416 296 HD23 LEU 35 HD23 LEU 35 -11.816 17.669 2.265 297 H SER 36 H SER 36 -7.773 17.194 5.518 298 HA SER 36 HA SER 36 -8.180 19.994 5.880 299 HB2 SER 36 HB2 SER 36 -7.629 18.303 7.638 300 HB3 SER 36 HB3 SER 36 -5.970 18.287 7.017 301 HG SER 36 HG SER 36 -7.412 20.436 8.198 302 H SER 37 H SER 37 -5.529 18.170 4.348 303 HA SER 37 HA SER 37 -3.779 20.361 4.008 304 HB2 SER 37 HB2 SER 37 -3.286 17.882 3.706 305 HB3 SER 37 HB3 SER 37 -3.979 18.030 2.078 306 HG SER 37 HG SER 37 -1.743 18.401 2.006 307 H GLU 38 H GLU 38 -6.314 18.984 1.958 308 HA GLU 38 HA GLU 38 -6.076 20.653 -0.368 309 HB2 GLU 38 HB2 GLU 38 -8.173 18.770 0.732 310 HB3 GLU 38 HB3 GLU 38 -8.679 19.830 -0.504 311 HG2 GLU 38 HG2 GLU 38 -6.314 17.925 -0.760 312 HG3 GLU 38 HG3 GLU 38 -7.940 17.620 -1.363 313 H ILE 39 H ILE 39 -8.334 20.878 2.431 314 HA ILE 39 HA ILE 39 -9.719 23.138 1.379 315 HB ILE 39 HB ILE 39 -10.503 23.529 3.677 316 HG12 ILE 39 HG12 ILE 39 -9.994 21.234 5.105 317 HG13 ILE 39 HG13 ILE 39 -8.436 21.564 4.375 318 HG21 ILE 39 HG21 ILE 39 -11.683 21.202 3.724 319 HG22 ILE 39 HG22 ILE 39 -11.833 22.209 2.289 320 HG23 ILE 39 HG23 ILE 39 -10.699 20.842 2.298 321 HD11 ILE 39 HD11 ILE 39 -8.497 23.871 5.389 322 HD12 ILE 39 HD12 ILE 39 -10.101 23.503 6.042 323 HD13 ILE 39 HD13 ILE 39 -8.680 22.606 6.619 324 H ASN 40 H ASN 40 -6.947 22.908 3.631 325 HA ASN 40 HA ASN 40 -6.689 25.799 3.647 326 HB2 ASN 40 HB2 ASN 40 -4.929 25.654 4.996 327 HB3 ASN 40 HB3 ASN 40 -5.732 24.132 5.354 328 HD21 ASN 40 HD21 ASN 40 -4.616 22.244 4.916 329 HD22 ASN 40 HD22 ASN 40 -2.967 22.233 4.297 330 H ASP 41 H ASP 41 -5.588 23.476 1.249 331 HA ASP 41 HA ASP 41 -3.765 25.237 -0.182 332 HB2 ASP 41 HB2 ASP 41 -4.305 22.642 -0.363 333 HB3 ASP 41 HB3 ASP 41 -5.433 23.207 -1.578 334 H ILE 42 H ILE 42 -7.300 24.914 -0.140 335 HA ILE 42 HA ILE 42 -7.606 27.030 -2.196 336 HB ILE 42 HB ILE 42 -9.664 25.761 -0.361 337 HG12 ILE 42 HG12 ILE 42 -10.622 25.013 -2.586 338 HG13 ILE 42 HG13 ILE 42 -9.161 25.604 -3.383 339 HG21 ILE 42 HG21 ILE 42 -10.382 28.073 -0.753 340 HG22 ILE 42 HG22 ILE 42 -10.057 27.908 -2.495 341 HG23 ILE 42 HG23 ILE 42 -11.361 26.984 -1.720 342 HD11 ILE 42 HD11 ILE 42 -9.175 23.559 -1.151 343 HD12 ILE 42 HD12 ILE 42 -9.272 23.113 -2.857 344 HD13 ILE 42 HD13 ILE 42 -7.815 23.926 -2.234 345 H GLU 43 H GLU 43 -8.067 26.919 1.364 346 HA GLU 43 HA GLU 43 -8.984 29.579 1.546 347 HB2 GLU 43 HB2 GLU 43 -9.131 27.587 3.193 348 HB3 GLU 43 HB3 GLU 43 -7.561 28.065 3.779 349 HG2 GLU 43 HG2 GLU 43 -9.361 28.974 5.194 350 HG3 GLU 43 HG3 GLU 43 -8.388 30.248 4.482 351 H THR 44 H THR 44 -5.747 28.310 2.055 352 HA THR 44 HA THR 44 -4.630 31.100 2.082 353 HB THR 44 HB THR 44 -4.636 30.218 4.332 354 HG1 THR 44 HG1 THR 44 -2.480 30.595 4.744 355 HG21 THR 44 HG21 THR 44 -4.484 27.837 4.034 356 HG22 THR 44 HG22 THR 44 -3.074 28.367 4.948 357 HG23 THR 44 HG23 THR 44 -2.906 27.969 3.224 358 H GLY 45 H GLY 45 -4.052 27.703 1.001 359 HA2 GLY 45 HA2 GLY 45 -1.555 28.246 -0.254 360 HA3 GLY 45 HA3 GLY 45 -2.686 26.975 -0.716 361 H THR 46 H THR 46 -4.734 29.176 -1.248 362 HA THR 46 HA THR 46 -5.635 30.231 -3.005 363 HB THR 46 HB THR 46 -4.404 31.976 -4.229 364 HG1 THR 46 HG1 THR 46 -2.294 30.966 -3.986 365 HG21 THR 46 HG21 THR 46 -4.085 32.075 -1.204 366 HG22 THR 46 HG22 THR 46 -5.566 32.455 -2.110 367 HG23 THR 46 HG23 THR 46 -4.123 33.462 -2.313 368 H LYS 47 H LYS 47 -5.415 27.831 -3.456 369 HA LYS 47 HA LYS 47 -4.119 26.401 -5.176 370 HB2 LYS 47 HB2 LYS 47 -7.017 26.610 -4.543 371 HB3 LYS 47 HB3 LYS 47 -6.753 25.893 -6.113 372 HG2 LYS 47 HG2 LYS 47 -5.700 24.847 -3.476 373 HG3 LYS 47 HG3 LYS 47 -6.922 24.149 -4.529 374 HD2 LYS 47 HD2 LYS 47 -4.742 24.450 -6.203 375 HD3 LYS 47 HD3 LYS 47 -3.954 24.067 -4.705 376 HE2 LYS 47 HE2 LYS 47 -6.056 22.358 -6.115 377 HE3 LYS 47 HE3 LYS 47 -4.324 22.014 -5.978 378 HZ1 LYS 47 HZ1 LYS 47 -5.504 20.754 -4.282 379 HZ2 LYS 47 HZ2 LYS 47 -6.286 22.070 -3.764 380 HZ3 LYS 47 HZ3 LYS 47 -4.641 21.919 -3.547 381 H ASN 48 H ASN 48 -6.613 28.411 -6.597 382 HA ASN 48 HA ASN 48 -7.076 29.180 -8.704 383 HB2 ASN 48 HB2 ASN 48 -4.083 29.619 -8.602 384 HB3 ASN 48 HB3 ASN 48 -5.037 30.069 -10.009 385 HD21 ASN 48 HD21 ASN 48 -4.309 30.944 -6.693 386 HD22 ASN 48 HD22 ASN 48 -5.229 32.451 -6.760 387 H VAL 49 H VAL 49 -7.828 26.973 -8.965 388 HA VAL 49 HA VAL 49 -7.054 26.073 -11.647 389 HB VAL 49 HB VAL 49 -5.820 24.506 -10.296 390 HG11 VAL 49 HG11 VAL 49 -6.870 22.962 -8.708 391 HG12 VAL 49 HG12 VAL 49 -7.029 24.635 -8.165 392 HG13 VAL 49 HG13 VAL 49 -8.422 23.811 -8.909 393 HG21 VAL 49 HG21 VAL 49 -8.306 23.041 -11.264 394 HG22 VAL 49 HG22 VAL 49 -6.972 23.582 -12.314 395 HG23 VAL 49 HG23 VAL 49 -6.685 22.374 -11.043 396 H ASP 50 H ASP 50 -8.790 24.775 -12.619 397 HA ASP 50 HA ASP 50 -11.455 25.796 -12.206 398 HB2 ASP 50 HB2 ASP 50 -10.302 25.067 -14.370 399 HB3 ASP 50 HB3 ASP 50 -10.525 23.403 -13.835 400 H GLY 51 H GLY 51 -13.271 23.788 -12.282 401 HA2 GLY 51 HA2 GLY 51 -13.845 23.050 -9.824 402 HA3 GLY 51 HA3 GLY 51 -14.375 22.124 -11.210 403 H THR 52 H THR 52 -11.193 21.478 -11.274 404 HA THR 52 HA THR 52 -11.185 18.830 -10.317 405 HB THR 52 HB THR 52 -8.985 20.933 -10.454 406 HG1 THR 52 HG1 THR 52 -8.534 19.864 -12.397 407 HG21 THR 52 HG21 THR 52 -8.746 17.914 -10.235 408 HG22 THR 52 HG22 THR 52 -8.287 19.080 -8.976 409 HG23 THR 52 HG23 THR 52 -7.404 19.068 -10.509 410 H THR 53 H THR 53 -9.689 21.614 -8.517 411 HA THR 53 HA THR 53 -9.488 20.043 -6.146 412 HB THR 53 HB THR 53 -8.036 21.955 -6.878 413 HG1 THR 53 HG1 THR 53 -8.327 20.975 -4.620 414 HG21 THR 53 HG21 THR 53 -8.554 24.207 -6.238 415 HG22 THR 53 HG22 THR 53 -10.058 23.725 -5.444 416 HG23 THR 53 HG23 THR 53 -9.916 23.641 -7.215 417 H TYR 54 H TYR 54 -11.932 22.354 -7.189 418 HA TYR 54 HA TYR 54 -13.543 22.601 -4.858 419 HB2 TYR 54 HB2 TYR 54 -14.261 22.320 -7.807 420 HB3 TYR 54 HB3 TYR 54 -15.441 22.644 -6.571 421 HD1 TYR 54 HD1 TYR 54 -12.458 24.105 -8.288 422 HD2 TYR 54 HD2 TYR 54 -15.710 24.767 -5.526 423 HE1 TYR 54 HE1 TYR 54 -12.030 26.550 -8.386 424 HE2 TYR 54 HE2 TYR 54 -15.277 27.229 -5.624 425 HH TYR 54 HH TYR 54 -12.665 28.627 -7.649 426 H LYS 55 H LYS 55 -13.840 20.194 -7.551 427 HA LYS 55 HA LYS 55 -15.695 18.606 -6.310 428 HB2 LYS 55 HB2 LYS 55 -15.249 18.809 -8.719 429 HB3 LYS 55 HB3 LYS 55 -13.737 17.992 -8.535 430 HG2 LYS 55 HG2 LYS 55 -15.326 16.163 -9.028 431 HG3 LYS 55 HG3 LYS 55 -15.350 16.145 -7.288 432 HD2 LYS 55 HD2 LYS 55 -17.163 18.111 -7.633 433 HD3 LYS 55 HD3 LYS 55 -17.357 17.339 -9.201 434 HE2 LYS 55 HE2 LYS 55 -17.711 15.120 -8.071 435 HE3 LYS 55 HE3 LYS 55 -17.617 15.928 -6.504 436 HZ1 LYS 55 HZ1 LYS 55 -19.924 15.656 -7.216 437 HZ2 LYS 55 HZ2 LYS 55 -19.660 16.484 -8.595 438 HZ3 LYS 55 HZ3 LYS 55 -19.578 17.251 -7.154 439 H LYS 56 H LYS 56 -12.138 18.111 -6.372 440 HA LYS 56 HA LYS 56 -12.017 15.844 -4.645 441 HB2 LYS 56 HB2 LYS 56 -10.106 18.101 -5.110 442 HB3 LYS 56 HB3 LYS 56 -9.860 16.963 -3.785 443 HG2 LYS 56 HG2 LYS 56 -8.712 15.913 -5.470 444 HG3 LYS 56 HG3 LYS 56 -10.268 15.081 -5.528 445 HD2 LYS 56 HD2 LYS 56 -10.968 16.417 -7.459 446 HD3 LYS 56 HD3 LYS 56 -9.399 17.275 -7.446 447 HE2 LYS 56 HE2 LYS 56 -8.195 15.221 -7.855 448 HE3 LYS 56 HE3 LYS 56 -9.632 14.246 -7.558 449 HZ1 LYS 56 HZ1 LYS 56 -9.314 16.061 -9.884 450 HZ2 LYS 56 HZ2 LYS 56 -10.613 15.096 -9.595 451 HZ3 LYS 56 HZ3 LYS 56 -9.161 14.440 -9.921 452 H LEU 57 H LEU 57 -12.326 19.281 -3.584 453 HA LEU 57 HA LEU 57 -12.255 18.629 -0.778 454 HB2 LEU 57 HB2 LEU 57 -11.471 20.611 -1.689 455 HB3 LEU 57 HB3 LEU 57 -13.009 21.071 -2.420 456 HG LEU 57 HG LEU 57 -12.593 20.901 0.586 457 HD11 LEU 57 HD11 LEU 57 -12.327 23.408 0.423 458 HD12 LEU 57 HD12 LEU 57 -12.330 23.261 -1.341 459 HD13 LEU 57 HD13 LEU 57 -11.030 22.515 -0.387 460 HD21 LEU 57 HD21 LEU 57 -14.989 20.986 0.039 461 HD22 LEU 57 HD22 LEU 57 -14.696 22.293 -1.130 462 HD23 LEU 57 HD23 LEU 57 -14.493 22.567 0.610 463 H VAL 58 H VAL 58 -14.961 19.283 -3.027 464 HA VAL 58 HA VAL 58 -16.893 18.962 -0.892 465 HB VAL 58 HB VAL 58 -17.100 20.510 -2.824 466 HG11 VAL 58 HG11 VAL 58 -16.537 18.800 -4.565 467 HG12 VAL 58 HG12 VAL 58 -18.179 18.163 -4.415 468 HG13 VAL 58 HG13 VAL 58 -17.900 19.852 -4.936 469 HG21 VAL 58 HG21 VAL 58 -19.474 18.682 -2.375 470 HG22 VAL 58 HG22 VAL 58 -18.985 20.054 -1.340 471 HG23 VAL 58 HG23 VAL 58 -19.518 20.343 -3.003 472 H THR 59 H THR 59 -15.404 16.753 -3.150 473 HA THR 59 HA THR 59 -17.379 14.633 -2.740 474 HB THR 59 HB THR 59 -15.801 14.797 -4.732 475 HG1 THR 59 HG1 THR 59 -17.071 13.042 -4.478 476 HG21 THR 59 HG21 THR 59 -13.842 13.670 -2.696 477 HG22 THR 59 HG22 THR 59 -13.670 14.958 -3.859 478 HG23 THR 59 HG23 THR 59 -13.755 13.287 -4.418 479 H LEU 60 H LEU 60 -14.361 15.626 -1.224 480 HA LEU 60 HA LEU 60 -13.832 13.528 0.540 481 HB2 LEU 60 HB2 LEU 60 -13.301 16.424 0.583 482 HB3 LEU 60 HB3 LEU 60 -13.442 15.719 2.179 483 HG LEU 60 HG LEU 60 -11.173 15.763 1.520 484 HD11 LEU 60 HD11 LEU 60 -11.924 13.758 2.814 485 HD12 LEU 60 HD12 LEU 60 -10.391 13.673 1.922 486 HD13 LEU 60 HD13 LEU 60 -11.837 12.842 1.283 487 HD21 LEU 60 HD21 LEU 60 -12.024 14.351 -0.956 488 HD22 LEU 60 HD22 LEU 60 -10.326 14.313 -0.362 489 HD23 LEU 60 HD23 LEU 60 -11.089 15.856 -0.723 490 H TYR 61 H TYR 61 -16.028 16.250 1.251 491 HA TYR 61 HA TYR 61 -17.152 14.887 3.583 492 HB2 TYR 61 HB2 TYR 61 -18.287 16.678 4.104 493 HB3 TYR 61 HB3 TYR 61 -17.335 17.500 2.863 494 HD1 TYR 61 HD1 TYR 61 -20.639 16.152 3.830 495 HD2 TYR 61 HD2 TYR 61 -18.454 18.111 0.686 496 HE1 TYR 61 HE1 TYR 61 -22.772 16.783 2.773 497 HE2 TYR 61 HE2 TYR 61 -20.625 18.675 -0.426 498 HH TYR 61 HH TYR 61 -23.784 17.776 0.971 499 H ASP 62 H ASP 62 -18.135 15.093 0.240 500 HA ASP 62 HA ASP 62 -20.688 13.901 0.423 501 HB2 ASP 62 HB2 ASP 62 -19.661 14.947 -1.655 502 HB3 ASP 62 HB3 ASP 62 -18.831 13.397 -1.903 503 H ARG 63 H ARG 63 -17.550 12.294 0.809 504 HA ARG 63 HA ARG 63 -19.215 9.857 1.434 505 HB2 ARG 63 HB2 ARG 63 -16.424 9.781 0.281 506 HB3 ARG 63 HB3 ARG 63 -17.278 8.394 0.942 507 HG2 ARG 63 HG2 ARG 63 -18.095 9.982 -1.519 508 HG3 ARG 63 HG3 ARG 63 -17.431 8.333 -1.417 509 HD2 ARG 63 HD2 ARG 63 -19.348 7.418 -0.511 510 HD3 ARG 63 HD3 ARG 63 -20.115 8.970 -0.202 511 HE ARG 63 HE ARG 63 -19.804 7.607 -2.816 512 HH11 ARG 63 HH11 ARG 63 -21.164 10.393 -1.153 513 HH12 ARG 63 HH12 ARG 63 -22.155 10.806 -2.512 514 HH21 ARG 63 HH21 ARG 63 -21.147 8.219 -4.504 515 HH22 ARG 63 HH22 ARG 63 -22.223 9.561 -4.280 516 H PHE 64 H PHE 64 -16.718 11.940 2.794 517 HA PHE 64 HA PHE 64 -16.195 10.216 5.052 518 HB2 PHE 64 HB2 PHE 64 -14.696 11.978 4.568 519 HB3 PHE 64 HB3 PHE 64 -15.999 13.168 4.590 520 HD1 PHE 64 HD2 PHE 64 -13.983 10.837 6.757 521 HD2 PHE 64 HD1 PHE 64 -16.728 14.144 6.657 522 HE1 PHE 64 HE2 PHE 64 -13.559 11.273 9.173 523 HE2 PHE 64 HE1 PHE 64 -16.393 14.527 9.073 524 HZ PHE 64 HZ PHE 64 -14.814 13.064 10.353 525 H ARG 65 H ARG 65 -18.576 12.935 4.653 526 HA ARG 65 HA ARG 65 -19.625 12.740 7.341 527 HB2 ARG 65 HB2 ARG 65 -20.454 14.084 4.716 528 HB3 ARG 65 HB3 ARG 65 -21.343 14.303 6.130 529 HG2 ARG 65 HG2 ARG 65 -18.490 15.130 5.749 530 HG3 ARG 65 HG3 ARG 65 -19.884 16.211 5.833 531 HD2 ARG 65 HD2 ARG 65 -18.891 14.486 8.079 532 HD3 ARG 65 HD3 ARG 65 -18.545 16.201 7.910 533 HE ARG 65 HE ARG 65 -21.068 16.562 8.023 534 HH11 ARG 65 HH11 ARG 65 -19.683 13.812 9.697 535 HH12 ARG 65 HH12 ARG 65 -20.703 14.036 11.094 536 HH21 ARG 65 HH21 ARG 65 -22.461 16.661 9.754 537 HH22 ARG 65 HH22 ARG 65 -22.346 15.460 11.012 538 H PHE 66 H PHE 66 -20.532 11.552 4.307 539 HA PHE 66 HA PHE 66 -22.983 10.201 5.227 540 HB2 PHE 66 HB2 PHE 66 -21.667 10.399 2.510 541 HB3 PHE 66 HB3 PHE 66 -23.141 9.504 2.812 542 HD1 PHE 66 HD2 PHE 66 -25.156 10.764 3.866 543 HD2 PHE 66 HD1 PHE 66 -21.781 12.738 2.054 544 HE1 PHE 66 HE2 PHE 66 -26.526 12.813 3.539 545 HE2 PHE 66 HE1 PHE 66 -23.166 14.754 1.666 546 HZ PHE 66 HZ PHE 66 -25.535 14.810 2.433 547 H GLU 67 H GLU 67 -20.063 8.832 3.564 548 HA GLU 67 HA GLU 67 -21.306 6.164 3.946 549 HB2 GLU 67 HB2 GLU 67 -19.427 7.316 1.815 550 HB3 GLU 67 HB3 GLU 67 -19.752 5.607 1.990 551 HG2 GLU 67 HG2 GLU 67 -21.828 7.777 1.461 552 HG3 GLU 67 HG3 GLU 67 -21.212 6.626 0.284 553 H ASN 68 H ASN 68 -18.166 7.625 4.304 554 HA ASN 68 HA ASN 68 -17.100 5.184 5.634 555 HB2 ASN 68 HB2 ASN 68 -15.635 7.037 3.715 556 HB3 ASN 68 HB3 ASN 68 -14.865 5.778 4.669 557 HD21 ASN 68 HD21 ASN 68 -16.545 6.415 1.725 558 HD22 ASN 68 HD22 ASN 68 -16.665 4.724 1.220 559 H1 GLY 1 H1 GLY 1 -7.279 17.178 34.558 560 H2 GLY 1 H2 GLY 1 -7.924 16.176 33.432 561 H3 GLY 1 H3 GLY 1 -7.560 15.603 34.925 562 HA2 GLY 1 HA2 GLY 1 -9.939 15.913 34.691 563 HA3 GLY 1 HA3 GLY 1 -9.249 16.962 35.945 564 H SER 2 H SER 2 -11.598 17.744 35.071 565 HA SER 2 HA SER 2 -12.837 19.387 34.127 566 HB2 SER 2 HB2 SER 2 -10.257 20.960 34.359 567 HB3 SER 2 HB3 SER 2 -11.896 21.629 34.238 568 HG SER 2 HG SER 2 -11.167 21.483 36.418 569 H HIS 3 H HIS 3 -12.257 17.694 32.148 570 HA HIS 3 HA HIS 3 -11.059 18.928 29.829 571 HB2 HIS 3 HB2 HIS 3 -12.784 16.446 29.920 572 HB3 HIS 3 HB3 HIS 3 -11.570 16.862 28.706 573 HD1 HIS 3 HD1 HIS 3 -11.858 14.328 31.026 574 HD2 HIS 3 HD2 HIS 3 -9.073 17.465 30.714 575 HE1 HIS 3 HE1 HIS 3 -9.799 13.587 32.329 576 H MET 4 H MET 4 -13.018 20.729 30.578 577 HA MET 4 HA MET 4 -15.535 20.284 29.210 578 HB2 MET 4 HB2 MET 4 -15.396 21.658 31.225 579 HB3 MET 4 HB3 MET 4 -14.310 22.797 30.421 580 HG2 MET 4 HG2 MET 4 -16.601 23.656 30.518 581 HG3 MET 4 HG3 MET 4 -16.075 23.440 28.855 582 HE1 MET 4 HE1 MET 4 -19.050 24.010 29.515 583 HE2 MET 4 HE2 MET 4 -18.452 23.667 27.875 584 HE3 MET 4 HE3 MET 4 -19.880 22.812 28.498 585 H ARG 5 H ARG 5 -15.221 19.872 27.093 586 HA ARG 5 HA ARG 5 -13.413 20.931 25.286 587 HB2 ARG 5 HB2 ARG 5 -15.007 18.989 25.071 588 HB3 ARG 5 HB3 ARG 5 -16.276 20.112 24.621 589 HG2 ARG 5 HG2 ARG 5 -14.732 20.844 22.705 590 HG3 ARG 5 HG3 ARG 5 -13.667 19.614 23.137 591 HD2 ARG 5 HD2 ARG 5 -15.036 18.930 21.260 592 HD3 ARG 5 HD3 ARG 5 -14.924 17.834 22.630 593 HE ARG 5 HE ARG 5 -17.321 19.501 22.700 594 HH11 ARG 5 HH11 ARG 5 -15.972 16.541 21.361 595 HH12 ARG 5 HH12 ARG 5 -17.543 15.804 21.185 596 HH21 ARG 5 HH21 ARG 5 -19.300 18.471 22.457 597 HH22 ARG 5 HH22 ARG 5 -19.365 16.862 21.804 598 H MET 6 H MET 6 -13.343 22.610 23.754 599 HA MET 6 HA MET 6 -15.654 24.455 23.746 600 HB2 MET 6 HB2 MET 6 -12.761 25.316 23.462 601 HB3 MET 6 HB3 MET 6 -14.169 26.375 23.535 602 HG2 MET 6 HG2 MET 6 -13.200 24.559 25.768 603 HG3 MET 6 HG3 MET 6 -12.839 26.283 25.636 604 HE1 MET 6 HE1 MET 6 -13.964 25.091 28.287 605 HE2 MET 6 HE2 MET 6 -13.663 26.827 28.058 606 HE3 MET 6 HE3 MET 6 -15.218 26.273 28.717 607 H SER 7 H SER 7 -16.396 23.141 22.099 608 HA SER 7 HA SER 7 -14.993 23.102 19.536 609 HB2 SER 7 HB2 SER 7 -17.775 22.186 20.289 610 HB3 SER 7 HB3 SER 7 -17.129 22.123 18.632 611 HG SER 7 HG SER 7 -16.863 20.222 20.154 612 H LEU 8 H LEU 8 -16.536 26.371 18.614 613 HA LEU 8 HA LEU 8 -13.908 25.097 18.772 614 HB2 LEU 8 HB2 LEU 8 -15.369 26.295 16.335 615 HB3 LEU 8 HB3 LEU 8 -13.666 26.042 16.386 616 HG LEU 8 HG LEU 8 -15.315 23.609 17.020 617 HD11 LEU 8 HD11 LEU 8 -15.086 24.769 14.222 618 HD12 LEU 8 HD12 LEU 8 -16.591 24.514 15.151 619 HD13 LEU 8 HD13 LEU 8 -15.632 23.121 14.639 620 HD21 LEU 8 HD21 LEU 8 -13.458 22.615 15.753 621 HD22 LEU 8 HD22 LEU 8 -12.845 23.783 16.979 622 HD23 LEU 8 HD23 LEU 8 -12.923 24.240 15.265 623 H ILE 9 H ILE 9 -12.454 26.756 19.384 624 HA ILE 9 HA ILE 9 -13.528 29.400 19.871 625 HB ILE 9 HB ILE 9 -10.616 28.746 20.202 626 HG12 ILE 9 HG12 ILE 9 -12.854 27.454 21.797 627 HG13 ILE 9 HG13 ILE 9 -11.595 26.661 20.941 628 HG21 ILE 9 HG21 ILE 9 -11.598 30.975 20.841 629 HG22 ILE 9 HG22 ILE 9 -12.628 30.138 22.023 630 HG23 ILE 9 HG23 ILE 9 -10.860 30.132 22.197 631 HD11 ILE 9 HD11 ILE 9 -9.868 27.722 22.408 632 HD12 ILE 9 HD12 ILE 9 -11.207 28.176 23.503 633 HD13 ILE 9 HD13 ILE 9 -10.883 26.469 23.126 634 H GLY 10 H GLY 10 -11.356 28.011 17.494 635 HA2 GLY 10 HA2 GLY 10 -10.749 29.038 15.402 636 HA3 GLY 10 HA3 GLY 10 -11.088 30.623 16.051 637 H GLU 11 H GLU 11 -9.331 28.778 18.289 638 HA GLU 11 HA GLU 11 -6.649 29.110 17.107 639 HB2 GLU 11 HB2 GLU 11 -5.903 29.746 19.547 640 HB3 GLU 11 HB3 GLU 11 -6.308 30.985 18.343 641 HG2 GLU 11 HG2 GLU 11 -8.548 31.258 19.380 642 HG3 GLU 11 HG3 GLU 11 -8.152 30.015 20.569 643 H ARG 12 H ARG 12 -8.067 28.225 20.256 644 HA ARG 12 HA ARG 12 -7.809 26.448 21.617 645 HB2 ARG 12 HB2 ARG 12 -7.799 24.446 19.454 646 HB3 ARG 12 HB3 ARG 12 -8.594 24.500 20.992 647 HG2 ARG 12 HG2 ARG 12 -10.506 24.941 20.066 648 HG3 ARG 12 HG3 ARG 12 -9.950 26.496 19.515 649 HD2 ARG 12 HD2 ARG 12 -9.987 23.809 18.087 650 HD3 ARG 12 HD3 ARG 12 -10.745 25.319 17.557 651 HE ARG 12 HE ARG 12 -8.096 25.985 17.534 652 HH11 ARG 12 HH21 ARG 12 -9.545 23.148 16.038 653 HH12 ARG 12 HH22 ARG 12 -8.062 22.826 15.172 654 HH21 ARG 12 HH11 ARG 12 -6.529 25.690 16.281 655 HH22 ARG 12 HH12 ARG 12 -6.538 24.478 15.044 656 H PHE 13 H PHE 13 -5.470 27.647 21.115 657 HA PHE 13 HA PHE 13 -3.233 25.983 20.429 658 HB2 PHE 13 HB2 PHE 13 -3.543 28.439 22.197 659 HB3 PHE 13 HB3 PHE 13 -2.018 27.774 21.679 660 HD1 PHE 13 HD2 PHE 13 -3.579 27.226 18.703 661 HD2 PHE 13 HD1 PHE 13 -2.667 30.587 21.265 662 HE1 PHE 13 HE2 PHE 13 -3.649 28.734 16.755 663 HE2 PHE 13 HE1 PHE 13 -2.755 32.096 19.295 664 HZ PHE 13 HZ PHE 13 -3.245 31.172 17.037 665 H THR 14 H THR 14 -1.471 25.462 22.106 666 HA THR 14 HA THR 14 -2.101 23.286 23.497 667 HB THR 14 HB THR 14 0.152 24.076 23.045 668 HG1 THR 14 HG1 THR 14 1.061 23.090 24.835 669 HG21 THR 14 HG21 THR 14 -0.012 26.382 24.064 670 HG22 THR 14 HG22 THR 14 1.414 25.452 24.545 671 HG23 THR 14 HG23 THR 14 0.054 25.611 25.669 672 H GLU 15 H GLU 15 -2.252 26.438 25.310 673 HA GLU 15 HA GLU 15 -3.248 25.123 27.719 674 HB2 GLU 15 HB2 GLU 15 -3.234 28.041 26.851 675 HB3 GLU 15 HB3 GLU 15 -3.714 27.479 28.449 676 HG2 GLU 15 HG2 GLU 15 -0.941 27.130 27.230 677 HG3 GLU 15 HG3 GLU 15 -1.406 28.367 28.383 678 H GLU 16 H GLU 16 -4.773 26.552 24.942 679 HA GLU 16 HA GLU 16 -7.530 26.267 26.002 680 HB2 GLU 16 HB2 GLU 16 -6.598 27.428 23.357 681 HB3 GLU 16 HB3 GLU 16 -8.218 27.506 24.035 682 HG2 GLU 16 HG2 GLU 16 -5.731 28.918 25.065 683 HG3 GLU 16 HG3 GLU 16 -7.118 29.639 24.263 684 H GLU 17 H GLU 17 -5.374 24.246 24.637 685 HA GLU 17 HA GLU 17 -6.693 22.970 22.576 686 HB2 GLU 17 HB2 GLU 17 -4.319 22.710 23.263 687 HB3 GLU 17 HB3 GLU 17 -4.833 21.651 24.589 688 HG2 GLU 17 HG2 GLU 17 -5.725 20.021 22.922 689 HG3 GLU 17 HG3 GLU 17 -5.335 21.160 21.636 690 H GLN 18 H GLN 18 -7.615 22.712 25.796 691 HA GLN 18 HA GLN 18 -8.688 20.337 26.341 692 HB2 GLN 18 HB2 GLN 18 -10.402 21.039 27.663 693 HB3 GLN 18 HB3 GLN 18 -9.132 22.235 27.807 694 HG2 GLN 18 HG2 GLN 18 -11.682 22.468 26.153 695 HG3 GLN 18 HG3 GLN 18 -11.331 23.158 27.776 696 HE21 GLN 18 HE22 GLN 18 -11.344 23.904 24.511 697 HE22 GLN 18 HE21 GLN 18 -10.015 25.066 24.475 698 H LYS 19 H LYS 19 -10.114 22.371 23.909 699 HA LYS 19 HA LYS 19 -12.296 20.922 22.927 700 HB2 LYS 19 HB2 LYS 19 -11.771 23.004 22.008 701 HB3 LYS 19 HB3 LYS 19 -10.134 22.603 21.809 702 HG2 LYS 19 HG2 LYS 19 -11.546 22.906 19.782 703 HG3 LYS 19 HG3 LYS 19 -10.373 21.585 19.884 704 HD2 LYS 19 HD2 LYS 19 -11.795 20.026 19.432 705 HD3 LYS 19 HD3 LYS 19 -13.016 20.632 20.548 706 HE2 LYS 19 HE2 LYS 19 -13.421 22.462 18.717 707 HE3 LYS 19 HE3 LYS 19 -12.316 21.558 17.688 708 HZ1 LYS 19 HZ1 LYS 19 -14.632 21.015 17.199 709 HZ2 LYS 19 HZ2 LYS 19 -14.921 20.549 18.728 710 HZ3 LYS 19 HZ3 LYS 19 -13.898 19.677 17.760 711 H LEU 20 H LEU 20 -8.976 20.520 21.816 712 HA LEU 20 HA LEU 20 -9.488 18.235 20.111 713 HB2 LEU 20 HB2 LEU 20 -6.901 19.552 21.077 714 HB3 LEU 20 HB3 LEU 20 -7.011 18.440 19.771 715 HG LEU 20 HG LEU 20 -6.727 20.315 18.657 716 HD11 LEU 20 HD11 LEU 20 -8.563 19.164 17.665 717 HD12 LEU 20 HD12 LEU 20 -8.821 20.910 17.507 718 HD13 LEU 20 HD13 LEU 20 -9.747 19.973 18.692 719 HD21 LEU 20 HD21 LEU 20 -8.034 22.412 19.147 720 HD22 LEU 20 HD22 LEU 20 -6.724 21.965 20.250 721 HD23 LEU 20 HD23 LEU 20 -8.389 21.735 20.748 722 H LEU 21 H LEU 21 -8.278 18.902 23.241 723 HA LEU 21 HA LEU 21 -7.161 16.391 24.099 724 HB2 LEU 21 HB2 LEU 21 -6.388 18.145 25.293 725 HB3 LEU 21 HB3 LEU 21 -7.836 19.038 25.149 726 HG LEU 21 HG LEU 21 -7.406 18.795 27.403 727 HD11 LEU 21 HD11 LEU 21 -9.565 16.706 27.247 728 HD12 LEU 21 HD12 LEU 21 -9.850 18.433 26.941 729 HD13 LEU 21 HD13 LEU 21 -9.215 17.909 28.484 730 HD21 LEU 21 HD21 LEU 21 -7.421 15.763 27.067 731 HD22 LEU 21 HD22 LEU 21 -7.102 16.671 28.566 732 HD23 LEU 21 HD23 LEU 21 -5.944 16.761 27.224 733 H LEU 22 H LEU 22 -10.563 17.827 24.297 734 HA LEU 22 HA LEU 22 -11.284 15.482 25.921 735 HB2 LEU 22 HB2 LEU 22 -12.444 17.617 26.190 736 HB3 LEU 22 HB3 LEU 22 -13.045 17.560 24.543 737 HG LEU 22 HG LEU 22 -14.654 17.012 26.432 738 HD11 LEU 22 HD11 LEU 22 -14.449 14.869 24.294 739 HD12 LEU 22 HD12 LEU 22 -15.267 16.436 24.163 740 HD13 LEU 22 HD13 LEU 22 -15.851 15.235 25.305 741 HD21 LEU 22 HD21 LEU 22 -13.213 15.584 27.796 742 HD22 LEU 22 HD22 LEU 22 -13.193 14.348 26.533 743 HD23 LEU 22 HD23 LEU 22 -14.709 14.760 27.356 744 H ASN 23 H ASN 23 -11.597 16.581 22.623 745 HA ASN 23 HA ASN 23 -12.939 14.429 21.436 746 HB2 ASN 23 HB2 ASN 23 -10.981 16.581 20.498 747 HB3 ASN 23 HB3 ASN 23 -11.645 15.472 19.409 748 HD21 ASN 23 HD21 ASN 23 -12.055 18.214 19.364 749 HD22 ASN 23 HD22 ASN 23 -13.743 18.527 19.725 750 H ILE 24 H ILE 24 -9.371 14.583 22.088 751 HA ILE 24 HA ILE 24 -9.087 11.901 20.869 752 HB ILE 24 HB ILE 24 -6.820 11.899 21.600 753 HG12 ILE 24 HG12 ILE 24 -7.528 14.385 23.149 754 HG13 ILE 24 HG13 ILE 24 -6.893 12.881 23.751 755 HG21 ILE 24 HG21 ILE 24 -7.467 12.994 19.486 756 HG22 ILE 24 HG22 ILE 24 -7.476 14.563 20.304 757 HG23 ILE 24 HG23 ILE 24 -5.974 13.636 20.166 758 HD11 ILE 24 HD11 ILE 24 -5.373 14.932 22.096 759 HD12 ILE 24 HD12 ILE 24 -5.136 14.523 23.802 760 HD13 ILE 24 HD13 ILE 24 -4.733 13.330 22.550 761 H LEU 25 H LEU 25 -9.682 13.177 24.117 762 HA LEU 25 HA LEU 25 -8.957 10.784 25.483 763 HB2 LEU 25 HB2 LEU 25 -8.883 12.970 26.434 764 HB3 LEU 25 HB3 LEU 25 -10.617 13.200 26.276 765 HG LEU 25 HG LEU 25 -9.664 10.849 27.912 766 HD11 LEU 25 HD11 LEU 25 -9.597 13.738 28.868 767 HD12 LEU 25 HD12 LEU 25 -8.201 12.659 28.671 768 HD13 LEU 25 HD13 LEU 25 -9.421 12.295 29.899 769 HD21 LEU 25 HD21 LEU 25 -12.121 11.306 27.609 770 HD22 LEU 25 HD22 LEU 25 -11.889 12.909 28.328 771 HD23 LEU 25 HD23 LEU 25 -11.615 11.444 29.296 772 H ILE 26 H ILE 26 -12.039 11.802 24.050 773 HA ILE 26 HA ILE 26 -13.553 9.604 25.240 774 HB ILE 26 HB ILE 26 -15.444 10.399 24.003 775 HG12 ILE 26 HG12 ILE 26 -13.694 12.502 22.671 776 HG13 ILE 26 HG13 ILE 26 -14.175 11.007 21.877 777 HG21 ILE 26 HG21 ILE 26 -14.809 11.465 26.120 778 HG22 ILE 26 HG22 ILE 26 -13.919 12.706 25.228 779 HG23 ILE 26 HG23 ILE 26 -15.677 12.568 25.048 780 HD11 ILE 26 HD11 ILE 26 -16.056 13.183 22.867 781 HD12 ILE 26 HD12 ILE 26 -15.691 12.742 21.191 782 HD13 ILE 26 HD13 ILE 26 -16.579 11.603 22.230 783 H ASN 27 H ASN 27 -15.170 8.658 23.390 784 HA ASN 27 HA ASN 27 -14.138 6.265 22.683 785 HB2 ASN 27 HB2 ASN 27 -16.316 7.697 21.088 786 HB3 ASN 27 HB3 ASN 27 -16.137 5.964 21.323 787 HD21 ASN 27 HD21 ASN 27 -17.509 8.869 22.581 788 HD22 ASN 27 HD22 ASN 27 -18.104 8.189 24.079 789 H HIS 28 H HIS 28 -14.247 9.048 20.419 790 HA HIS 28 HA HIS 28 -11.977 8.005 18.945 791 HB2 HIS 28 HB2 HIS 28 -13.001 8.008 16.747 792 HB3 HIS 28 HB3 HIS 28 -13.851 6.869 17.775 793 HD1 HIS 28 HD1 HIS 28 -14.373 10.409 16.246 794 HD2 HIS 28 HD2 HIS 28 -16.454 7.241 18.097 795 HE1 HIS 28 HE1 HIS 28 -16.855 10.927 15.982 796 H GLU 29 H GLU 29 -11.118 9.548 17.409 797 HA GLU 29 HA GLU 29 -11.022 12.228 18.348 798 HB2 GLU 29 HB2 GLU 29 -9.259 10.949 17.119 799 HB3 GLU 29 HB3 GLU 29 -10.201 11.141 15.635 800 HG2 GLU 29 HG2 GLU 29 -9.963 13.590 15.801 801 HG3 GLU 29 HG3 GLU 29 -9.145 13.429 17.356 802 H TYR 30 H TYR 30 -11.974 14.121 17.675 803 HA TYR 30 HA TYR 30 -14.461 13.794 16.028 804 HB2 TYR 30 HB2 TYR 30 -14.713 13.653 18.519 805 HB3 TYR 30 HB3 TYR 30 -14.079 15.305 18.601 806 HD1 TYR 30 HD1 TYR 30 -16.759 13.422 16.714 807 HD2 TYR 30 HD2 TYR 30 -15.619 17.041 18.766 808 HE1 TYR 30 HE1 TYR 30 -19.023 14.369 16.323 809 HE2 TYR 30 HE2 TYR 30 -17.883 17.950 18.448 810 HH TYR 30 HH TYR 30 -20.003 17.575 17.600 811 H ALA 31 H ALA 31 -12.004 16.304 16.968 812 HA ALA 31 HA ALA 31 -13.151 18.537 15.997 813 HB1 ALA 31 HB1 ALA 31 -10.268 17.675 15.559 814 HB2 ALA 31 HB2 ALA 31 -10.876 19.332 15.493 815 HB3 ALA 31 HB3 ALA 31 -10.949 18.446 17.034 816 H ILE 32 H ILE 32 -11.502 16.095 14.019 817 HA ILE 32 HA ILE 32 -11.643 17.187 11.506 818 HB ILE 32 HB ILE 32 -11.859 14.330 12.494 819 HG12 ILE 32 HG12 ILE 32 -9.560 14.078 11.616 820 HG13 ILE 32 HG13 ILE 32 -9.541 15.773 11.125 821 HG21 ILE 32 HG21 ILE 32 -11.406 13.480 10.309 822 HG22 ILE 32 HG22 ILE 32 -12.861 14.420 10.186 823 HG23 ILE 32 HG23 ILE 32 -11.343 15.142 9.622 824 HD11 ILE 32 HD11 ILE 32 -8.358 15.102 13.315 825 HD12 ILE 32 HD12 ILE 32 -9.441 16.504 13.391 826 HD13 ILE 32 HD13 ILE 32 -9.976 14.910 13.998 827 H GLU 33 H GLU 33 -14.227 15.366 13.177 828 HA GLU 33 HA GLU 33 -16.015 15.184 10.970 829 HB2 GLU 33 HB2 GLU 33 -16.238 13.954 13.153 830 HB3 GLU 33 HB3 GLU 33 -16.935 15.445 13.842 831 HG2 GLU 33 HG2 GLU 33 -18.652 15.451 12.049 832 HG3 GLU 33 HG3 GLU 33 -17.939 13.995 11.351 833 H LEU 34 H LEU 34 -15.612 17.736 13.410 834 HA LEU 34 HA LEU 34 -17.563 19.527 12.359 835 HB2 LEU 34 HB2 LEU 34 -15.087 19.763 14.115 836 HB3 LEU 34 HB3 LEU 34 -15.833 21.208 13.493 837 HG LEU 34 HG LEU 34 -16.462 20.528 15.794 838 HD11 LEU 34 HD11 LEU 34 -18.833 21.109 15.592 839 HD12 LEU 34 HD12 LEU 34 -18.828 20.669 13.873 840 HD13 LEU 34 HD13 LEU 34 -17.889 22.066 14.439 841 HD21 LEU 34 HD21 LEU 34 -16.656 18.120 15.539 842 HD22 LEU 34 HD22 LEU 34 -18.109 18.337 14.523 843 HD23 LEU 34 HD23 LEU 34 -18.128 18.858 16.210 844 H LEU 35 H LEU 35 -14.055 19.063 11.543 845 HA LEU 35 HA LEU 35 -13.811 21.343 9.891 846 HB2 LEU 35 HB2 LEU 35 -11.892 19.909 10.532 847 HB3 LEU 35 HB3 LEU 35 -12.516 18.578 9.615 848 HG LEU 35 HG LEU 35 -12.180 19.642 7.522 849 HD11 LEU 35 HD11 LEU 35 -10.911 22.060 8.817 850 HD12 LEU 35 HD12 LEU 35 -12.560 22.051 8.172 851 HD13 LEU 35 HD13 LEU 35 -11.191 21.730 7.116 852 HD21 LEU 35 HD21 LEU 35 -9.730 19.908 9.304 853 HD22 LEU 35 HD22 LEU 35 -9.729 19.783 7.531 854 HD23 LEU 35 HD23 LEU 35 -10.303 18.425 8.513 855 H SER 36 H SER 36 -14.689 17.955 8.830 856 HA SER 36 HA SER 36 -15.070 18.687 6.101 857 HB2 SER 36 HB2 SER 36 -14.613 16.405 6.992 858 HB3 SER 36 HB3 SER 36 -16.283 16.357 7.587 859 HG SER 36 HG SER 36 -15.357 16.551 4.901 860 H SER 37 H SER 37 -17.340 18.478 8.842 861 HA SER 37 HA SER 37 -19.730 18.934 7.384 862 HB2 SER 37 HB2 SER 37 -19.495 18.173 9.786 863 HB3 SER 37 HB3 SER 37 -19.201 19.869 10.222 864 HG SER 37 HG SER 37 -21.416 19.384 10.388 865 H GLU 38 H GLU 38 -17.415 21.096 8.965 866 HA GLU 38 HA GLU 38 -18.742 23.600 8.454 867 HB2 GLU 38 HB2 GLU 38 -15.991 22.776 9.408 868 HB3 GLU 38 HB3 GLU 38 -16.164 24.386 8.892 869 HG2 GLU 38 HG2 GLU 38 -17.808 23.036 11.072 870 HG3 GLU 38 HG3 GLU 38 -16.530 24.228 11.306 871 H ILE 39 H ILE 39 -15.989 22.055 6.727 872 HA ILE 39 HA ILE 39 -15.630 24.241 4.912 873 HB ILE 39 HB ILE 39 -14.445 22.629 3.487 874 HG12 ILE 39 HG12 ILE 39 -13.931 20.397 5.017 875 HG13 ILE 39 HG13 ILE 39 -15.651 20.632 5.268 876 HG21 ILE 39 HG21 ILE 39 -13.827 22.972 6.433 877 HG22 ILE 39 HG22 ILE 39 -12.683 22.155 5.363 878 HG23 ILE 39 HG23 ILE 39 -13.154 23.813 5.022 879 HD11 ILE 39 HD11 ILE 39 -15.254 19.141 3.362 880 HD12 ILE 39 HD12 ILE 39 -15.925 20.657 2.731 881 HD13 ILE 39 HD13 ILE 39 -14.184 20.347 2.613 882 H ASN 40 H ASN 40 -17.565 21.238 4.666 883 HA ASN 40 HA ASN 40 -18.663 22.138 2.123 884 HB2 ASN 40 HB2 ASN 40 -19.901 20.309 1.989 885 HB3 ASN 40 HB3 ASN 40 -18.637 19.735 3.070 886 HD21 ASN 40 HD21 ASN 40 -19.245 19.123 5.150 887 HD22 ASN 40 HD22 ASN 40 -20.927 19.097 5.674 888 H ASP 41 H ASP 41 -19.582 23.002 5.419 889 HA ASP 41 HA ASP 41 -22.138 24.157 4.668 890 HB2 ASP 41 HB2 ASP 41 -21.323 23.499 7.013 891 HB3 ASP 41 HB3 ASP 41 -20.451 25.030 7.015 892 H ILE 42 H ILE 42 -18.806 25.281 4.411 893 HA ILE 42 HA ILE 42 -19.680 27.945 3.435 894 HB ILE 42 HB ILE 42 -16.941 26.637 3.476 895 HG12 ILE 42 HG12 ILE 42 -16.438 28.679 4.920 896 HG13 ILE 42 HG13 ILE 42 -18.168 29.015 4.971 897 HG21 ILE 42 HG21 ILE 42 -16.077 28.846 2.691 898 HG22 ILE 42 HG22 ILE 42 -17.031 28.034 1.463 899 HG23 ILE 42 HG23 ILE 42 -17.746 29.376 2.389 900 HD11 ILE 42 HD11 ILE 42 -18.544 26.893 6.177 901 HD12 ILE 42 HD12 ILE 42 -16.840 26.451 5.918 902 HD13 ILE 42 HD13 ILE 42 -17.250 27.807 6.975 903 H GLU 43 H GLU 43 -18.313 24.983 1.906 904 HA GLU 43 HA GLU 43 -18.214 26.096 -0.685 905 HB2 GLU 43 HB2 GLU 43 -17.118 23.974 0.341 906 HB3 GLU 43 HB3 GLU 43 -18.574 23.128 -0.105 907 HG2 GLU 43 HG2 GLU 43 -16.852 22.831 -1.821 908 HG3 GLU 43 HG3 GLU 43 -18.244 23.666 -2.479 909 H THR 44 H THR 44 -20.730 24.132 0.793 910 HA THR 44 HA THR 44 -22.568 24.742 -1.499 911 HB THR 44 HB THR 44 -21.878 22.420 -1.626 912 HG1 THR 44 HG1 THR 44 -23.946 22.878 -2.287 913 HG21 THR 44 HG21 THR 44 -22.739 20.795 0.086 914 HG22 THR 44 HG22 THR 44 -23.024 22.169 1.179 915 HG23 THR 44 HG23 THR 44 -21.381 21.789 0.617 916 H GLY 45 H GLY 45 -22.381 24.375 2.094 917 HA2 GLY 45 HA2 GLY 45 -25.129 25.091 2.538 918 HA3 GLY 45 HA3 GLY 45 -23.803 25.316 3.677 919 H THR 46 H THR 46 -22.330 27.042 1.886 920 HA THR 46 HA THR 46 -21.927 29.196 1.347 921 HB THR 46 HB THR 46 -23.547 30.585 0.185 922 HG1 THR 46 HG1 THR 46 -25.312 28.745 1.213 923 HG21 THR 46 HG21 THR 46 -23.542 27.705 -0.798 924 HG22 THR 46 HG22 THR 46 -22.236 28.886 -1.032 925 HG23 THR 46 HG23 THR 46 -23.824 29.166 -1.767 926 H LYS 47 H LYS 47 -22.254 28.559 3.898 927 HA LYS 47 HA LYS 47 -23.871 30.393 5.381 928 HB2 LYS 47 HB2 LYS 47 -23.005 29.325 7.288 929 HB3 LYS 47 HB3 LYS 47 -23.226 28.139 6.061 930 HG2 LYS 47 HG2 LYS 47 -21.210 27.397 6.703 931 HG3 LYS 47 HG3 LYS 47 -20.615 28.610 5.607 932 HD2 LYS 47 HD2 LYS 47 -19.368 28.691 7.580 933 HD3 LYS 47 HD3 LYS 47 -20.343 30.163 7.561 934 HE2 LYS 47 HE2 LYS 47 -20.284 29.371 9.799 935 HE3 LYS 47 HE3 LYS 47 -21.919 29.069 9.195 936 HZ1 LYS 47 HZ1 LYS 47 -20.952 27.173 10.429 937 HZ2 LYS 47 HZ2 LYS 47 -19.752 27.010 9.351 938 HZ3 LYS 47 HZ3 LYS 47 -21.328 26.744 8.906 939 H ASN 48 H ASN 48 -20.365 30.383 4.916 940 HA ASN 48 HA ASN 48 -18.819 32.116 5.316 941 HB2 ASN 48 HB2 ASN 48 -18.877 33.446 3.190 942 HB3 ASN 48 HB3 ASN 48 -18.919 31.698 3.042 943 HD21 ASN 48 HD21 ASN 48 -21.405 34.291 3.428 944 HD22 ASN 48 HD22 ASN 48 -22.427 33.655 2.131 945 H VAL 49 H VAL 49 -19.848 32.862 7.404 946 HA VAL 49 HA VAL 49 -20.964 35.558 7.394 947 HB VAL 49 HB VAL 49 -20.963 35.484 9.730 948 HG11 VAL 49 HG11 VAL 49 -22.579 33.971 8.587 949 HG12 VAL 49 HG12 VAL 49 -21.484 32.606 8.906 950 HG13 VAL 49 HG13 VAL 49 -22.200 33.507 10.253 951 HG21 VAL 49 HG21 VAL 49 -18.985 33.187 9.628 952 HG22 VAL 49 HG22 VAL 49 -18.784 34.772 10.410 953 HG23 VAL 49 HG23 VAL 49 -19.919 33.611 11.078 954 H ASP 50 H ASP 50 -19.485 36.785 9.425 955 HA ASP 50 HA ASP 50 -17.165 38.037 8.384 956 HB2 ASP 50 HB2 ASP 50 -17.860 37.352 11.264 957 HB3 ASP 50 HB3 ASP 50 -16.783 38.624 10.735 958 H GLY 51 H GLY 51 -14.836 37.779 9.416 959 HA2 GLY 51 HA2 GLY 51 -13.592 35.496 8.887 960 HA3 GLY 51 HA3 GLY 51 -13.016 36.607 10.117 961 H THR 52 H THR 52 -15.719 35.594 11.569 962 HA THR 52 HA THR 52 -14.633 33.797 13.462 963 HB THR 52 HB THR 52 -17.446 34.160 12.347 964 HG1 THR 52 HG1 THR 52 -17.696 35.287 14.287 965 HG21 THR 52 HG21 THR 52 -18.184 33.043 14.475 966 HG22 THR 52 HG22 THR 52 -16.485 32.540 14.734 967 HG23 THR 52 HG23 THR 52 -17.405 31.955 13.323 968 H THR 53 H THR 53 -16.711 32.846 10.573 969 HA THR 53 HA THR 53 -16.095 30.111 11.045 970 HB THR 53 HB THR 53 -18.151 31.099 10.014 971 HG1 THR 53 HG1 THR 53 -16.804 28.919 8.839 972 HG21 THR 53 HG21 THR 53 -18.305 31.343 7.621 973 HG22 THR 53 HG22 THR 53 -16.593 30.964 7.397 974 HG23 THR 53 HG23 THR 53 -17.075 32.473 8.215 975 H TYR 54 H TYR 54 -14.635 32.478 8.903 976 HA TYR 54 HA TYR 54 -12.893 30.839 7.335 977 HB2 TYR 54 HB2 TYR 54 -12.554 33.593 8.597 978 HB3 TYR 54 HB3 TYR 54 -11.348 32.877 7.570 979 HD1 TYR 54 HD1 TYR 54 -14.902 34.084 7.552 980 HD2 TYR 54 HD2 TYR 54 -11.503 32.826 5.212 981 HE1 TYR 54 HE1 TYR 54 -16.027 34.895 5.489 982 HE2 TYR 54 HE2 TYR 54 -12.637 33.636 3.140 983 HH TYR 54 HH TYR 54 -15.887 35.155 3.218 984 H LYS 55 H LYS 55 -12.247 32.517 10.472 985 HA LYS 55 HA LYS 55 -9.849 31.323 10.977 986 HB2 LYS 55 HB2 LYS 55 -10.706 33.435 11.865 987 HB3 LYS 55 HB3 LYS 55 -11.850 32.606 12.850 988 HG2 LYS 55 HG2 LYS 55 -9.890 32.781 14.339 989 HG3 LYS 55 HG3 LYS 55 -9.541 31.253 13.596 990 HD2 LYS 55 HD2 LYS 55 -8.519 32.761 11.642 991 HD3 LYS 55 HD3 LYS 55 -8.421 33.976 12.915 992 HE2 LYS 55 HE2 LYS 55 -7.179 32.353 14.376 993 HE3 LYS 55 HE3 LYS 55 -7.202 31.179 13.058 994 HZ1 LYS 55 HZ1 LYS 55 -5.113 32.426 13.094 995 HZ2 LYS 55 HZ2 LYS 55 -5.893 33.850 12.945 996 HZ3 LYS 55 HZ3 LYS 55 -5.914 32.776 11.714 997 H LYS 56 H LYS 56 -13.055 30.194 12.164 998 HA LYS 56 HA LYS 56 -12.151 27.840 13.529 999 HB2 LYS 56 HB2 LYS 56 -14.705 28.494 12.123 1000 HB3 LYS 56 HB3 LYS 56 -14.349 26.823 12.591 1001 HG2 LYS 56 HG2 LYS 56 -15.403 27.569 14.482 1002 HG3 LYS 56 HG3 LYS 56 -13.731 27.898 14.926 1003 HD2 LYS 56 HD2 LYS 56 -13.965 30.235 14.301 1004 HD3 LYS 56 HD3 LYS 56 -15.649 29.988 13.771 1005 HE2 LYS 56 HE2 LYS 56 -14.636 29.262 16.511 1006 HE3 LYS 56 HE3 LYS 56 -15.148 30.921 16.149 1007 HZ1 LYS 56 HZ1 LYS 56 -16.923 29.563 17.152 1008 HZ2 LYS 56 HZ2 LYS 56 -16.906 28.531 15.894 1009 HZ3 LYS 56 HZ3 LYS 56 -17.368 30.086 15.667 1010 H LEU 57 H LEU 57 -12.772 28.152 9.997 1011 HA LEU 57 HA LEU 57 -12.122 25.397 9.449 1012 HB2 LEU 57 HB2 LEU 57 -13.713 26.595 8.302 1013 HB3 LEU 57 HB3 LEU 57 -12.626 27.899 7.809 1014 HG LEU 57 HG LEU 57 -12.393 25.046 6.785 1015 HD11 LEU 57 HD11 LEU 57 -14.588 25.959 6.209 1016 HD12 LEU 57 HD12 LEU 57 -13.583 26.000 4.751 1017 HD13 LEU 57 HD13 LEU 57 -13.861 27.487 5.667 1018 HD21 LEU 57 HD21 LEU 57 -11.292 27.700 5.759 1019 HD22 LEU 57 HD22 LEU 57 -11.260 26.185 4.838 1020 HD23 LEU 57 HD23 LEU 57 -10.335 26.313 6.322 1021 H VAL 58 H VAL 58 -10.220 28.404 9.224 1022 HA VAL 58 HA VAL 58 -7.942 26.965 8.130 1023 HB VAL 58 HB VAL 58 -8.603 29.320 7.582 1024 HG11 VAL 58 HG11 VAL 58 -7.046 30.154 10.049 1025 HG12 VAL 58 HG12 VAL 58 -8.034 31.149 8.938 1026 HG13 VAL 58 HG13 VAL 58 -8.802 29.983 10.018 1027 HG21 VAL 58 HG21 VAL 58 -6.452 28.375 6.884 1028 HG22 VAL 58 HG22 VAL 58 -6.333 30.106 7.240 1029 HG23 VAL 58 HG23 VAL 58 -5.717 28.928 8.416 1030 H THR 59 H THR 59 -9.034 27.725 11.360 1031 HA THR 59 HA THR 59 -6.433 27.259 12.608 1032 HB THR 59 HB THR 59 -8.319 28.587 13.665 1033 HG1 THR 59 HG1 THR 59 -6.520 28.150 14.799 1034 HG21 THR 59 HG21 THR 59 -10.195 27.274 13.692 1035 HG22 THR 59 HG22 THR 59 -9.620 27.115 15.350 1036 HG23 THR 59 HG23 THR 59 -9.402 25.799 14.187 1037 H LEU 60 H LEU 60 -9.258 25.316 11.798 1038 HA LEU 60 HA LEU 60 -8.751 22.835 12.962 1039 HB2 LEU 60 HB2 LEU 60 -9.989 23.649 10.411 1040 HB3 LEU 60 HB3 LEU 60 -9.367 22.014 10.451 1041 HG LEU 60 HG LEU 60 -11.670 22.059 10.949 1042 HD11 LEU 60 HD11 LEU 60 -10.396 21.321 13.578 1043 HD12 LEU 60 HD12 LEU 60 -10.282 20.320 12.105 1044 HD13 LEU 60 HD13 LEU 60 -11.870 20.692 12.785 1045 HD21 LEU 60 HD21 LEU 60 -12.189 24.066 11.822 1046 HD22 LEU 60 HD22 LEU 60 -11.045 23.919 13.189 1047 HD23 LEU 60 HD23 LEU 60 -12.548 22.939 13.122 1048 H TYR 61 H TYR 61 -7.385 23.858 9.822 1049 HA TYR 61 HA TYR 61 -5.443 21.670 9.803 1050 HB2 TYR 61 HB2 TYR 61 -4.966 22.128 7.704 1051 HB3 TYR 61 HB3 TYR 61 -6.337 23.243 7.764 1052 HD1 TYR 61 HD2 TYR 61 -5.885 25.724 7.887 1053 HD2 TYR 61 HD1 TYR 61 -2.671 22.878 7.635 1054 HE1 TYR 61 HE2 TYR 61 -4.268 27.555 7.379 1055 HE2 TYR 61 HE1 TYR 61 -1.090 24.683 7.066 1056 HH TYR 61 HH TYR 61 -2.073 28.123 7.008 1057 H ASP 62 H ASP 62 -5.267 25.004 10.774 1058 HA ASP 62 HA ASP 62 -2.481 25.282 11.193 1059 HB2 ASP 62 HB2 ASP 62 -4.178 27.140 11.390 1060 HB3 ASP 62 HB3 ASP 62 -4.538 26.523 13.015 1061 H ARG 63 H ARG 63 -4.757 23.381 13.099 1062 HA ARG 63 HA ARG 63 -2.361 22.542 14.758 1063 HB2 ARG 63 HB2 ARG 63 -4.675 23.452 15.746 1064 HB3 ARG 63 HB3 ARG 63 -5.086 21.768 15.726 1065 HG2 ARG 63 HG2 ARG 63 -3.186 21.095 16.984 1066 HG3 ARG 63 HG3 ARG 63 -2.502 22.738 16.927 1067 HD2 ARG 63 HD2 ARG 63 -4.646 23.480 18.075 1068 HD3 ARG 63 HD3 ARG 63 -5.019 21.787 18.328 1069 HE ARG 63 HE ARG 63 -3.526 21.658 20.072 1070 HH11 ARG 63 HH21 ARG 63 -2.437 24.492 18.300 1071 HH12 ARG 63 HH22 ARG 63 -0.978 24.585 19.247 1072 HH21 ARG 63 HH11 ARG 63 -1.793 21.785 21.118 1073 HH22 ARG 63 HH12 ARG 63 -0.582 23.031 20.834 1074 H PHE 64 H PHE 64 -5.137 21.221 13.077 1075 HA PHE 64 HA PHE 64 -4.586 18.478 13.441 1076 HB2 PHE 64 HB2 PHE 64 -6.644 19.198 12.460 1077 HB3 PHE 64 HB3 PHE 64 -5.799 19.913 11.088 1078 HD1 PHE 64 HD1 PHE 64 -4.946 18.534 9.279 1079 HD2 PHE 64 HD2 PHE 64 -6.872 16.714 12.649 1080 HE1 PHE 64 HE1 PHE 64 -5.014 16.389 8.049 1081 HE2 PHE 64 HE2 PHE 64 -7.005 14.554 11.400 1082 HZ PHE 64 HZ PHE 64 -6.031 14.379 9.121 1083 H ARG 65 H ARG 65 -3.303 20.538 10.699 1084 HA ARG 65 HA ARG 65 -1.794 18.353 9.509 1085 HB2 ARG 65 HB2 ARG 65 -2.002 21.384 9.138 1086 HB3 ARG 65 HB3 ARG 65 -0.976 20.450 8.175 1087 HG2 ARG 65 HG2 ARG 65 -3.954 20.199 8.273 1088 HG3 ARG 65 HG3 ARG 65 -3.011 20.874 6.944 1089 HD2 ARG 65 HD2 ARG 65 -2.931 18.012 7.851 1090 HD3 ARG 65 HD3 ARG 65 -3.844 18.596 6.468 1091 HE ARG 65 HE ARG 65 -1.623 19.332 5.485 1092 HH11 ARG 65 HH21 ARG 65 -1.635 16.598 7.682 1093 HH12 ARG 65 HH22 ARG 65 -0.495 15.705 6.709 1094 HH21 ARG 65 HH11 ARG 65 -0.025 18.214 4.419 1095 HH22 ARG 65 HH12 ARG 65 0.522 16.687 5.057 1096 H PHE 66 H PHE 66 -1.126 21.003 11.500 1097 HA PHE 66 HA PHE 66 1.783 20.645 11.608 1098 HB2 PHE 66 HB2 PHE 66 -0.092 22.512 13.069 1099 HB3 PHE 66 HB3 PHE 66 1.629 22.461 13.388 1100 HD1 PHE 66 HD2 PHE 66 3.298 22.988 11.575 1101 HD2 PHE 66 HD1 PHE 66 -0.929 23.658 11.110 1102 HE1 PHE 66 HE2 PHE 66 3.757 24.588 9.727 1103 HE2 PHE 66 HE1 PHE 66 -0.470 25.312 9.313 1104 HZ PHE 66 HZ PHE 66 1.870 25.759 8.598 1105 H GLU 67 H GLU 67 -0.656 20.376 14.293 1106 HA GLU 67 HA GLU 67 1.554 19.397 16.032 1107 HB2 GLU 67 HB2 GLU 67 -1.122 20.681 16.612 1108 HB3 GLU 67 HB3 GLU 67 -0.027 20.124 17.864 1109 HG2 GLU 67 HG2 GLU 67 0.464 22.340 15.842 1110 HG3 GLU 67 HG3 GLU 67 0.113 22.541 17.547 1111 H ASN 68 H ASN 68 -1.817 18.671 15.377 1112 HA ASN 68 HA ASN 68 -1.579 16.084 16.838 1113 HB2 ASN 68 HB2 ASN 68 -3.971 17.942 16.722 1114 HB3 ASN 68 HB3 ASN 68 -3.926 16.397 17.555 1115 HD21 ASN 68 HD21 ASN 68 -4.175 19.398 18.369 1116 HD22 ASN 68 HD22 ASN 68 -3.107 19.474 19.772 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -1.401 -7.879 5.643 2 H2 GLY 1 H2 GLY 1 -1.318 -9.334 4.893 3 H3 GLY 1 H3 GLY 1 -2.643 -8.389 4.706 4 HA2 GLY 1 HA2 GLY 1 0.072 -7.762 3.737 5 HA3 GLY 1 HA3 GLY 1 -1.286 -8.286 2.726 6 H SER 2 H SER 2 -1.139 -6.372 1.481 7 HA SER 2 HA SER 2 -2.495 -3.995 2.612 8 HB2 SER 2 HB2 SER 2 -0.782 -2.473 1.740 9 HB3 SER 2 HB3 SER 2 -0.105 -3.557 2.960 10 HG SER 2 HG SER 2 1.256 -3.390 1.122 11 H HIS 3 H HIS 3 -2.772 -2.317 0.764 12 HA HIS 3 HA HIS 3 -3.362 -3.606 -1.847 13 HB2 HIS 3 HB2 HIS 3 -5.411 -3.440 -0.283 14 HB3 HIS 3 HB3 HIS 3 -5.327 -1.692 -0.522 15 HD1 HIS 3 HD1 HIS 3 -5.890 -0.829 -3.065 16 HD2 HIS 3 HD2 HIS 3 -6.218 -4.966 -2.326 17 HE1 HIS 3 HE1 HIS 3 -7.110 -1.836 -5.080 18 H MET 4 H MET 4 -3.629 -2.054 -3.614 19 HA MET 4 HA MET 4 -1.752 0.172 -3.566 20 HB2 MET 4 HB2 MET 4 -3.840 -0.677 -5.618 21 HB3 MET 4 HB3 MET 4 -2.670 0.628 -5.843 22 HG2 MET 4 HG2 MET 4 -0.805 -0.987 -5.547 23 HG3 MET 4 HG3 MET 4 -1.976 -2.289 -5.342 24 HE1 MET 4 HE1 MET 4 -1.041 -0.101 -9.325 25 HE2 MET 4 HE2 MET 4 -1.823 0.761 -7.987 26 HE3 MET 4 HE3 MET 4 -0.169 0.133 -7.796 27 H ARG 5 H ARG 5 -2.182 2.355 -3.729 28 HA ARG 5 HA ARG 5 -4.913 3.368 -3.052 29 HB2 ARG 5 HB2 ARG 5 -2.925 3.354 -1.242 30 HB3 ARG 5 HB3 ARG 5 -2.439 4.804 -2.078 31 HG2 ARG 5 HG2 ARG 5 -4.828 5.671 -1.710 32 HG3 ARG 5 HG3 ARG 5 -5.100 4.290 -0.692 33 HD2 ARG 5 HD2 ARG 5 -4.666 5.975 0.769 34 HD3 ARG 5 HD3 ARG 5 -3.266 4.920 0.793 35 HE ARG 5 HE ARG 5 -3.028 7.226 -1.052 36 HH11 ARG 5 HH21 ARG 5 -2.298 6.128 2.186 37 HH12 ARG 5 HH22 ARG 5 -0.991 7.264 2.364 38 HH21 ARG 5 HH11 ARG 5 -1.481 8.704 -0.745 39 HH22 ARG 5 HH12 ARG 5 -0.495 8.663 0.696 40 H MET 6 H MET 6 -5.463 5.350 -4.006 41 HA MET 6 HA MET 6 -3.547 6.371 -6.000 42 HB2 MET 6 HB2 MET 6 -6.564 6.375 -6.164 43 HB3 MET 6 HB3 MET 6 -5.482 6.917 -7.448 44 HG2 MET 6 HG2 MET 6 -5.650 4.070 -6.394 45 HG3 MET 6 HG3 MET 6 -6.396 4.663 -7.877 46 HE1 MET 6 HE1 MET 6 -3.568 2.221 -9.100 47 HE2 MET 6 HE2 MET 6 -4.478 2.071 -7.580 48 HE3 MET 6 HE3 MET 6 -5.313 2.558 -9.075 49 H SER 7 H SER 7 -4.264 7.359 -3.219 50 HA SER 7 HA SER 7 -4.636 9.147 -2.066 51 HB2 SER 7 HB2 SER 7 -2.879 10.383 -4.176 52 HB3 SER 7 HB3 SER 7 -3.308 11.196 -2.655 53 HG SER 7 HG SER 7 -1.314 9.853 -2.705 54 H LEU 8 H LEU 8 -4.903 11.324 -4.976 55 HA LEU 8 HA LEU 8 -7.811 11.530 -4.293 56 HB2 LEU 8 HB2 LEU 8 -6.153 14.029 -4.698 57 HB3 LEU 8 HB3 LEU 8 -7.824 13.888 -4.278 58 HG LEU 8 HG LEU 8 -5.761 12.734 -2.370 59 HD11 LEU 8 HD11 LEU 8 -5.831 14.822 -1.127 60 HD12 LEU 8 HD12 LEU 8 -6.668 15.616 -2.483 61 HD13 LEU 8 HD13 LEU 8 -5.007 14.981 -2.677 62 HD21 LEU 8 HD21 LEU 8 -7.581 13.194 -0.782 63 HD22 LEU 8 HD22 LEU 8 -8.187 12.204 -2.135 64 HD23 LEU 8 HD23 LEU 8 -8.532 13.938 -2.099 65 H ILE 9 H ILE 9 -8.499 10.471 -6.032 66 HA ILE 9 HA ILE 9 -7.719 11.127 -8.724 67 HB ILE 9 HB ILE 9 -10.238 9.639 -7.974 68 HG12 ILE 9 HG12 ILE 9 -7.457 8.456 -7.671 69 HG13 ILE 9 HG13 ILE 9 -8.592 8.728 -6.383 70 HG21 ILE 9 HG21 ILE 9 -9.608 10.044 -10.383 71 HG22 ILE 9 HG22 ILE 9 -8.127 9.103 -10.110 72 HG23 ILE 9 HG23 ILE 9 -9.724 8.337 -9.979 73 HD11 ILE 9 HD11 ILE 9 -8.865 6.697 -8.594 74 HD12 ILE 9 HD12 ILE 9 -8.770 6.463 -6.840 75 HD13 ILE 9 HD13 ILE 9 -10.215 7.198 -7.538 76 H GLY 10 H GLY 10 -10.369 12.064 -6.592 77 HA2 GLY 10 HA2 GLY 10 -11.593 14.095 -6.814 78 HA3 GLY 10 HA3 GLY 10 -11.351 14.093 -8.534 79 H GLU 11 H GLU 11 -12.298 10.961 -7.642 80 HA GLU 11 HA GLU 11 -15.169 11.522 -7.175 81 HB2 GLU 11 HB2 GLU 11 -14.422 9.421 -9.237 82 HB3 GLU 11 HB3 GLU 11 -16.019 9.951 -8.754 83 HG2 GLU 11 HG2 GLU 11 -15.605 12.198 -9.740 84 HG3 GLU 11 HG3 GLU 11 -14.025 11.644 -10.312 85 H ARG 12 H ARG 12 -12.696 9.005 -7.551 86 HA ARG 12 HA ARG 12 -12.205 7.066 -6.483 87 HB2 ARG 12 HB2 ARG 12 -12.972 8.430 -3.920 88 HB3 ARG 12 HB3 ARG 12 -11.873 7.146 -4.251 89 HG2 ARG 12 HG2 ARG 12 -10.230 8.694 -4.169 90 HG3 ARG 12 HG3 ARG 12 -10.700 9.057 -5.811 91 HD2 ARG 12 HD2 ARG 12 -10.605 11.143 -4.611 92 HD3 ARG 12 HD3 ARG 12 -12.313 10.796 -4.883 93 HE ARG 12 HE ARG 12 -10.836 10.313 -2.301 94 HH11 ARG 12 HH21 ARG 12 -13.789 11.460 -3.846 95 HH12 ARG 12 HH22 ARG 12 -14.511 11.829 -2.333 96 HH21 ARG 12 HH11 ARG 12 -11.927 10.820 -0.377 97 HH22 ARG 12 HH12 ARG 12 -13.574 11.349 -0.468 98 H PHE 13 H PHE 13 -14.548 6.600 -7.562 99 HA PHE 13 HA PHE 13 -16.452 5.920 -5.442 100 HB2 PHE 13 HB2 PHE 13 -16.740 7.628 -7.362 101 HB3 PHE 13 HB3 PHE 13 -16.910 6.210 -8.397 102 HD1 PHE 13 HD2 PHE 13 -18.089 6.992 -4.916 103 HD2 PHE 13 HD1 PHE 13 -19.200 6.165 -8.993 104 HE1 PHE 13 HE2 PHE 13 -20.508 7.026 -4.267 105 HE2 PHE 13 HE1 PHE 13 -21.617 6.168 -8.344 106 HZ PHE 13 HZ PHE 13 -22.262 6.603 -5.979 107 H THR 14 H THR 14 -16.177 3.922 -4.803 108 HA THR 14 HA THR 14 -16.533 1.785 -4.530 109 HB THR 14 HB THR 14 -18.740 1.962 -4.987 110 HG1 THR 14 HG1 THR 14 -19.215 -0.007 -5.919 111 HG21 THR 14 HG21 THR 14 -19.805 1.859 -7.199 112 HG22 THR 14 HG22 THR 14 -18.207 1.926 -7.978 113 HG23 THR 14 HG23 THR 14 -18.794 3.296 -7.002 114 H GLU 15 H GLU 15 -16.293 1.735 -8.112 115 HA GLU 15 HA GLU 15 -14.283 -0.372 -8.118 116 HB2 GLU 15 HB2 GLU 15 -15.191 1.620 -10.238 117 HB3 GLU 15 HB3 GLU 15 -14.051 0.293 -10.514 118 HG2 GLU 15 HG2 GLU 15 -15.807 -1.337 -9.786 119 HG3 GLU 15 HG3 GLU 15 -16.959 -0.006 -9.645 120 H GLU 16 H GLU 16 -14.198 3.170 -7.924 121 HA GLU 16 HA GLU 16 -11.214 3.131 -8.074 122 HB2 GLU 16 HB2 GLU 16 -12.921 5.608 -8.099 123 HB3 GLU 16 HB3 GLU 16 -11.245 5.440 -8.530 124 HG2 GLU 16 HG2 GLU 16 -13.626 4.370 -10.094 125 HG3 GLU 16 HG3 GLU 16 -12.624 5.749 -10.510 126 H GLU 17 H GLU 17 -13.332 2.674 -5.726 127 HA GLU 17 HA GLU 17 -12.569 4.515 -3.683 128 HB2 GLU 17 HB2 GLU 17 -14.628 3.041 -3.855 129 HB3 GLU 17 HB3 GLU 17 -13.638 1.700 -3.276 130 HG2 GLU 17 HG2 GLU 17 -13.200 3.028 -1.172 131 HG3 GLU 17 HG3 GLU 17 -14.250 4.300 -1.805 132 H GLN 18 H GLN 18 -10.837 1.785 -4.716 133 HA GLN 18 HA GLN 18 -9.507 0.676 -2.774 134 HB2 GLN 18 HB2 GLN 18 -7.557 0.274 -3.998 135 HB3 GLN 18 HB3 GLN 18 -8.853 0.315 -5.175 136 HG2 GLN 18 HG2 GLN 18 -6.770 2.475 -4.689 137 HG3 GLN 18 HG3 GLN 18 -6.863 1.303 -6.020 138 HE21 GLN 18 HE22 GLN 18 -7.747 4.465 -5.114 139 HE22 GLN 18 HE21 GLN 18 -9.152 4.642 -6.173 140 H LYS 19 H LYS 19 -8.834 3.972 -3.569 141 HA LYS 19 HA LYS 19 -6.778 4.637 -1.750 142 HB2 LYS 19 HB2 LYS 19 -7.529 6.224 -3.383 143 HB3 LYS 19 HB3 LYS 19 -9.164 6.003 -2.919 144 HG2 LYS 19 HG2 LYS 19 -8.030 8.180 -2.433 145 HG3 LYS 19 HG3 LYS 19 -9.217 7.427 -1.354 146 HD2 LYS 19 HD2 LYS 19 -7.952 7.200 0.346 147 HD3 LYS 19 HD3 LYS 19 -6.520 6.803 -0.539 148 HE2 LYS 19 HE2 LYS 19 -6.378 8.916 0.887 149 HE3 LYS 19 HE3 LYS 19 -5.966 9.162 -0.792 150 HZ1 LYS 19 HZ1 LYS 19 -7.472 10.872 0.140 151 HZ2 LYS 19 HZ2 LYS 19 -8.684 9.765 0.248 152 HZ3 LYS 19 HZ3 LYS 19 -8.011 10.161 -1.217 153 H LEU 20 H LEU 20 -10.244 4.831 -1.171 154 HA LEU 20 HA LEU 20 -10.012 5.650 1.604 155 HB2 LEU 20 HB2 LEU 20 -12.422 4.764 -0.063 156 HB3 LEU 20 HB3 LEU 20 -12.510 5.569 1.455 157 HG LEU 20 HG LEU 20 -13.054 7.228 0.115 158 HD11 LEU 20 HD11 LEU 20 -11.395 8.075 1.596 159 HD12 LEU 20 HD12 LEU 20 -11.153 8.841 0.007 160 HD13 LEU 20 HD13 LEU 20 -10.058 7.573 0.568 161 HD21 LEU 20 HD21 LEU 20 -11.994 7.751 -2.006 162 HD22 LEU 20 HD22 LEU 20 -12.730 6.135 -1.953 163 HD23 LEU 20 HD23 LEU 20 -10.988 6.295 -1.907 164 H LEU 21 H LEU 21 -10.635 2.773 -0.203 165 HA LEU 21 HA LEU 21 -11.241 0.897 1.912 166 HB2 LEU 21 HB2 LEU 21 -11.573 -0.387 0.110 167 HB3 LEU 21 HB3 LEU 21 -10.710 0.713 -0.938 168 HG LEU 21 HG LEU 21 -8.582 -0.348 -0.398 169 HD11 LEU 21 HD11 LEU 21 -9.072 -2.876 0.709 170 HD12 LEU 21 HD12 LEU 21 -10.227 -1.893 1.612 171 HD13 LEU 21 HD13 LEU 21 -8.485 -1.535 1.641 172 HD21 LEU 21 HD21 LEU 21 -10.367 -2.574 -1.209 173 HD22 LEU 21 HD22 LEU 21 -8.602 -2.290 -1.424 174 HD23 LEU 21 HD23 LEU 21 -9.781 -1.280 -2.281 175 H LEU 22 H LEU 22 -8.066 2.036 0.419 176 HA LEU 22 HA LEU 22 -6.772 -0.073 1.810 177 HB2 LEU 22 HB2 LEU 22 -5.702 0.760 -0.082 178 HB3 LEU 22 HB3 LEU 22 -5.740 2.431 0.450 179 HG LEU 22 HG LEU 22 -3.508 1.375 0.351 180 HD11 LEU 22 HD11 LEU 22 -2.565 2.389 2.206 181 HD12 LEU 22 HD12 LEU 22 -3.949 2.082 3.251 182 HD13 LEU 22 HD13 LEU 22 -4.075 3.292 1.969 183 HD21 LEU 22 HD21 LEU 22 -4.100 -0.880 1.124 184 HD22 LEU 22 HD22 LEU 22 -4.405 -0.277 2.747 185 HD23 LEU 22 HD23 LEU 22 -2.765 -0.196 2.069 186 H ASN 23 H ASN 23 -7.130 3.368 2.257 187 HA ASN 23 HA ASN 23 -5.899 3.993 4.675 188 HB2 ASN 23 HB2 ASN 23 -8.174 5.075 2.955 189 HB3 ASN 23 HB3 ASN 23 -7.874 5.809 4.435 190 HD21 ASN 23 HD21 ASN 23 -7.554 7.149 2.138 191 HD22 ASN 23 HD22 ASN 23 -5.848 7.436 1.831 192 H ILE 24 H ILE 24 -9.250 2.739 4.286 193 HA ILE 24 HA ILE 24 -9.608 2.869 7.233 194 HB ILE 24 HB ILE 24 -11.657 1.732 7.023 195 HG12 ILE 24 HG12 ILE 24 -10.989 1.257 4.137 196 HG13 ILE 24 HG13 ILE 24 -11.222 0.070 5.380 197 HG21 ILE 24 HG21 ILE 24 -11.614 4.125 6.741 198 HG22 ILE 24 HG22 ILE 24 -11.470 3.961 4.984 199 HG23 ILE 24 HG23 ILE 24 -12.934 3.415 5.822 200 HD11 ILE 24 HD11 ILE 24 -13.373 1.838 4.154 201 HD12 ILE 24 HD12 ILE 24 -13.176 0.088 3.982 202 HD13 ILE 24 HD13 ILE 24 -13.635 0.768 5.557 203 H LEU 25 H LEU 25 -8.445 0.494 4.945 204 HA LEU 25 HA LEU 25 -8.727 -1.743 6.690 205 HB2 LEU 25 HB2 LEU 25 -8.761 -1.816 4.226 206 HB3 LEU 25 HB3 LEU 25 -7.062 -1.349 4.176 207 HG LEU 25 HG LEU 25 -6.445 -3.469 5.339 208 HD11 LEU 25 HD11 LEU 25 -9.421 -4.073 5.031 209 HD12 LEU 25 HD12 LEU 25 -8.518 -3.949 6.557 210 HD13 LEU 25 HD13 LEU 25 -8.177 -5.279 5.445 211 HD21 LEU 25 HD21 LEU 25 -8.143 -3.874 2.847 212 HD22 LEU 25 HD22 LEU 25 -6.848 -4.940 3.433 213 HD23 LEU 25 HD23 LEU 25 -6.457 -3.308 2.866 214 H ILE 26 H ILE 26 -6.108 0.557 6.111 215 HA ILE 26 HA ILE 26 -4.157 -0.810 7.804 216 HB ILE 26 HB ILE 26 -2.746 1.121 7.487 217 HG12 ILE 26 HG12 ILE 26 -4.916 2.439 5.831 218 HG13 ILE 26 HG13 ILE 26 -4.661 2.837 7.530 219 HG21 ILE 26 HG21 ILE 26 -4.044 0.244 4.884 220 HG22 ILE 26 HG22 ILE 26 -2.422 0.926 5.075 221 HG23 ILE 26 HG23 ILE 26 -2.807 -0.642 5.789 222 HD11 ILE 26 HD11 ILE 26 -2.631 3.199 5.292 223 HD12 ILE 26 HD12 ILE 26 -3.525 4.462 6.153 224 HD13 ILE 26 HD13 ILE 26 -2.318 3.492 7.022 225 H ASN 27 H ASN 27 -3.038 1.003 9.380 226 HA ASN 27 HA ASN 27 -4.423 0.525 11.750 227 HB2 ASN 27 HB2 ASN 27 -2.588 1.818 12.796 228 HB3 ASN 27 HB3 ASN 27 -2.017 0.632 11.629 229 HD21 ASN 27 HD21 ASN 27 -0.810 1.394 9.792 230 HD22 ASN 27 HD22 ASN 27 -0.473 3.101 9.590 231 H HIS 28 H HIS 28 -4.601 3.537 9.862 232 HA HIS 28 HA HIS 28 -6.940 4.255 11.434 233 HB2 HIS 28 HB2 HIS 28 -6.313 6.432 12.115 234 HB3 HIS 28 HB3 HIS 28 -5.031 5.373 12.676 235 HD1 HIS 28 HD1 HIS 28 -2.679 5.512 11.111 236 HD2 HIS 28 HD2 HIS 28 -5.656 8.437 10.543 237 HE1 HIS 28 HE1 HIS 28 -1.563 7.443 9.870 238 H GLU 29 H GLU 29 -8.345 5.774 10.409 239 HA GLU 29 HA GLU 29 -8.327 5.595 7.547 240 HB2 GLU 29 HB2 GLU 29 -10.362 5.579 8.921 241 HB3 GLU 29 HB3 GLU 29 -10.108 7.291 9.316 242 HG2 GLU 29 HG2 GLU 29 -10.234 7.851 6.892 243 HG3 GLU 29 HG3 GLU 29 -10.426 6.150 6.501 244 H TYR 30 H TYR 30 -6.889 6.595 6.396 245 HA TYR 30 HA TYR 30 -5.602 9.010 7.290 246 HB2 TYR 30 HB2 TYR 30 -4.453 6.996 6.511 247 HB3 TYR 30 HB3 TYR 30 -5.212 7.186 4.933 248 HD1 TYR 30 HD1 TYR 30 -2.933 8.943 7.344 249 HD2 TYR 30 HD2 TYR 30 -4.118 8.426 3.229 250 HE1 TYR 30 HE1 TYR 30 -1.003 10.343 6.604 251 HE2 TYR 30 HE2 TYR 30 -2.192 9.778 2.494 252 HH TYR 30 HH TYR 30 -0.348 11.016 3.145 253 H ALA 31 H ALA 31 -7.918 8.457 4.599 254 HA ALA 31 HA ALA 31 -7.346 10.384 2.853 255 HB1 ALA 31 HB1 ALA 31 -10.082 9.653 3.952 256 HB2 ALA 31 HB2 ALA 31 -9.800 10.500 2.428 257 HB3 ALA 31 HB3 ALA 31 -9.191 8.833 2.632 258 H ILE 32 H ILE 32 -9.048 10.961 5.936 259 HA ILE 32 HA ILE 32 -9.689 13.625 5.677 260 HB ILE 32 HB ILE 32 -8.907 11.993 8.097 261 HG12 ILE 32 HG12 ILE 32 -11.336 12.031 8.631 262 HG13 ILE 32 HG13 ILE 32 -11.660 12.868 7.114 263 HG21 ILE 32 HG21 ILE 32 -10.353 14.659 8.130 264 HG22 ILE 32 HG22 ILE 32 -9.932 13.633 9.536 265 HG23 ILE 32 HG23 ILE 32 -8.669 14.438 8.648 266 HD11 ILE 32 HD11 ILE 32 -11.135 10.885 5.863 267 HD12 ILE 32 HD12 ILE 32 -10.340 10.136 7.285 268 HD13 ILE 32 HD13 ILE 32 -12.098 10.344 7.244 269 H GLU 33 H GLU 33 -6.529 12.318 6.745 270 HA GLU 33 HA GLU 33 -5.256 14.759 7.486 271 HB2 GLU 33 HB2 GLU 33 -4.157 12.624 7.816 272 HB3 GLU 33 HB3 GLU 33 -4.098 12.345 6.076 273 HG2 GLU 33 HG2 GLU 33 -1.907 12.972 6.929 274 HG3 GLU 33 HG3 GLU 33 -2.499 14.100 5.723 275 H LEU 34 H LEU 34 -5.695 13.307 4.248 276 HA LEU 34 HA LEU 34 -4.430 15.413 2.831 277 HB2 LEU 34 HB2 LEU 34 -6.311 13.108 2.177 278 HB3 LEU 34 HB3 LEU 34 -6.075 14.353 0.982 279 HG LEU 34 HG LEU 34 -4.705 12.319 0.730 280 HD11 LEU 34 HD11 LEU 34 -2.560 13.398 0.199 281 HD12 LEU 34 HD12 LEU 34 -2.950 14.773 1.249 282 HD13 LEU 34 HD13 LEU 34 -3.866 14.498 -0.240 283 HD21 LEU 34 HD21 LEU 34 -3.167 13.215 3.151 284 HD22 LEU 34 HD22 LEU 34 -2.777 11.894 2.044 285 HD23 LEU 34 HD23 LEU 34 -4.252 11.796 3.038 286 H LEU 35 H LEU 35 -7.906 14.906 3.721 287 HA LEU 35 HA LEU 35 -8.978 17.158 2.387 288 HB2 LEU 35 HB2 LEU 35 -10.358 15.497 3.668 289 HB3 LEU 35 HB3 LEU 35 -9.656 16.016 5.155 290 HG LEU 35 HG LEU 35 -10.704 18.122 5.149 291 HD11 LEU 35 HD11 LEU 35 -10.710 18.581 2.650 292 HD12 LEU 35 HD12 LEU 35 -12.183 18.991 3.525 293 HD13 LEU 35 HD13 LEU 35 -12.128 17.535 2.539 294 HD21 LEU 35 HD21 LEU 35 -12.662 15.926 4.355 295 HD22 LEU 35 HD22 LEU 35 -13.073 17.420 5.224 296 HD23 LEU 35 HD23 LEU 35 -12.005 16.224 5.979 297 H SER 36 H SER 36 -7.776 17.129 5.800 298 HA SER 36 HA SER 36 -8.172 19.889 6.199 299 HB2 SER 36 HB2 SER 36 -6.106 18.141 7.546 300 HB3 SER 36 HB3 SER 36 -6.875 19.603 8.208 301 HG SER 36 HG SER 36 -7.811 17.493 8.846 302 H SER 37 H SER 37 -5.271 18.145 5.092 303 HA SER 37 HA SER 37 -3.524 20.375 5.073 304 HB2 SER 37 HB2 SER 37 -2.799 18.015 4.924 305 HB3 SER 37 HB3 SER 37 -3.464 17.913 3.279 306 HG SER 37 HG SER 37 -1.196 18.402 3.324 307 H GLU 38 H GLU 38 -5.654 18.931 2.622 308 HA GLU 38 HA GLU 38 -5.052 20.579 0.361 309 HB2 GLU 38 HB2 GLU 38 -7.363 18.781 1.151 310 HB3 GLU 38 HB3 GLU 38 -7.545 19.748 -0.247 311 HG2 GLU 38 HG2 GLU 38 -5.216 17.817 0.158 312 HG3 GLU 38 HG3 GLU 38 -6.716 17.420 -0.673 313 H ILE 39 H ILE 39 -7.766 20.840 2.708 314 HA ILE 39 HA ILE 39 -8.918 23.125 1.430 315 HB ILE 39 HB ILE 39 -10.131 23.469 3.558 316 HG12 ILE 39 HG12 ILE 39 -9.883 21.074 4.937 317 HG13 ILE 39 HG13 ILE 39 -8.215 21.493 4.592 318 HG21 ILE 39 HG21 ILE 39 -10.070 20.700 2.309 319 HG22 ILE 39 HG22 ILE 39 -11.438 21.340 3.241 320 HG23 ILE 39 HG23 ILE 39 -10.971 22.112 1.718 321 HD11 ILE 39 HD11 ILE 39 -8.599 23.733 5.678 322 HD12 ILE 39 HD12 ILE 39 -10.270 23.231 6.023 323 HD13 ILE 39 HD13 ILE 39 -8.911 22.372 6.774 324 H ASN 40 H ASN 40 -6.632 22.862 4.177 325 HA ASN 40 HA ASN 40 -6.426 25.760 4.285 326 HB2 ASN 40 HB2 ASN 40 -4.977 25.620 5.957 327 HB3 ASN 40 HB3 ASN 40 -5.783 24.067 6.129 328 HD21 ASN 40 HD21 ASN 40 -4.568 22.207 5.743 329 HD22 ASN 40 HD22 ASN 40 -2.823 22.254 5.517 330 H ASP 41 H ASP 41 -4.855 23.493 2.093 331 HA ASP 41 HA ASP 41 -2.830 25.355 1.113 332 HB2 ASP 41 HB2 ASP 41 -3.347 22.688 0.772 333 HB3 ASP 41 HB3 ASP 41 -4.045 23.332 -0.682 334 H ILE 42 H ILE 42 -6.296 24.876 0.466 335 HA ILE 42 HA ILE 42 -6.255 26.997 -1.606 336 HB ILE 42 HB ILE 42 -8.548 25.554 -0.261 337 HG12 ILE 42 HG12 ILE 42 -8.983 24.919 -2.681 338 HG13 ILE 42 HG13 ILE 42 -7.462 25.682 -3.128 339 HG21 ILE 42 HG21 ILE 42 -9.343 27.846 -0.637 340 HG22 ILE 42 HG22 ILE 42 -8.692 27.826 -2.294 341 HG23 ILE 42 HG23 ILE 42 -10.047 26.771 -1.836 342 HD11 ILE 42 HD11 ILE 42 -7.732 23.418 -1.133 343 HD12 ILE 42 HD12 ILE 42 -7.385 23.178 -2.847 344 HD13 ILE 42 HD13 ILE 42 -6.206 24.018 -1.824 345 H GLU 43 H GLU 43 -7.287 26.873 1.826 346 HA GLU 43 HA GLU 43 -8.209 29.540 1.899 347 HB2 GLU 43 HB2 GLU 43 -8.619 27.617 3.545 348 HB3 GLU 43 HB3 GLU 43 -7.079 27.989 4.267 349 HG2 GLU 43 HG2 GLU 43 -8.817 29.050 5.570 350 HG3 GLU 43 HG3 GLU 43 -7.821 30.278 4.824 351 H THR 44 H THR 44 -5.088 28.275 3.021 352 HA THR 44 HA THR 44 -4.012 31.074 3.179 353 HB THR 44 HB THR 44 -4.351 30.097 5.379 354 HG1 THR 44 HG1 THR 44 -1.625 30.424 4.682 355 HG21 THR 44 HG21 THR 44 -3.988 27.757 5.110 356 HG22 THR 44 HG22 THR 44 -2.741 28.362 6.202 357 HG23 THR 44 HG23 THR 44 -2.333 27.995 4.509 358 H GLY 45 H GLY 45 -3.243 27.721 2.101 359 HA2 GLY 45 HA2 GLY 45 -0.669 28.439 1.012 360 HA3 GLY 45 HA3 GLY 45 -1.689 27.106 0.476 361 H THR 46 H THR 46 -3.883 29.082 -0.123 362 HA THR 46 HA THR 46 -4.809 30.228 -1.753 363 HB THR 46 HB THR 46 -3.795 32.105 -2.888 364 HG1 THR 46 HG1 THR 46 -1.726 32.757 -2.343 365 HG21 THR 46 HG21 THR 46 -3.471 33.495 -0.923 366 HG22 THR 46 HG22 THR 46 -3.169 32.068 0.092 367 HG23 THR 46 HG23 THR 46 -4.775 32.337 -0.620 368 H LYS 47 H LYS 47 -4.048 27.684 -2.286 369 HA LYS 47 HA LYS 47 -3.132 27.361 -5.024 370 HB2 LYS 47 HB2 LYS 47 -4.816 25.508 -3.295 371 HB3 LYS 47 HB3 LYS 47 -4.117 25.131 -4.857 372 HG2 LYS 47 HG2 LYS 47 -2.775 25.396 -2.221 373 HG3 LYS 47 HG3 LYS 47 -2.609 24.147 -3.439 374 HD2 LYS 47 HD2 LYS 47 -1.374 25.918 -4.812 375 HD3 LYS 47 HD3 LYS 47 -1.355 26.928 -3.356 376 HE2 LYS 47 HE2 LYS 47 -0.220 25.048 -2.152 377 HE3 LYS 47 HE3 LYS 47 -0.216 24.144 -3.675 378 HZ1 LYS 47 HZ1 LYS 47 1.902 25.295 -3.295 379 HZ2 LYS 47 HZ2 LYS 47 1.156 26.744 -3.231 380 HZ3 LYS 47 HZ3 LYS 47 1.183 25.896 -4.631 381 H ASN 48 H ASN 48 -4.255 27.333 -6.857 382 HA ASN 48 HA ASN 48 -7.143 27.592 -7.106 383 HB2 ASN 48 HB2 ASN 48 -5.296 29.972 -7.678 384 HB3 ASN 48 HB3 ASN 48 -6.905 29.806 -8.362 385 HD21 ASN 48 HD21 ASN 48 -5.117 30.693 -5.465 386 HD22 ASN 48 HD22 ASN 48 -6.556 31.231 -4.609 387 H VAL 49 H VAL 49 -7.354 26.127 -8.781 388 HA VAL 49 HA VAL 49 -5.677 26.430 -11.206 389 HB VAL 49 HB VAL 49 -4.985 24.280 -11.330 390 HG11 VAL 49 HG11 VAL 49 -4.866 24.612 -8.320 391 HG12 VAL 49 HG12 VAL 49 -3.809 23.622 -9.343 392 HG13 VAL 49 HG13 VAL 49 -3.762 25.379 -9.493 393 HG21 VAL 49 HG21 VAL 49 -5.775 22.410 -9.751 394 HG22 VAL 49 HG22 VAL 49 -7.172 23.485 -9.432 395 HG23 VAL 49 HG23 VAL 49 -6.828 22.911 -11.081 396 H ASP 50 H ASP 50 -6.566 24.480 -12.718 397 HA ASP 50 HA ASP 50 -8.991 25.372 -13.801 398 HB2 ASP 50 HB2 ASP 50 -6.818 24.312 -14.782 399 HB3 ASP 50 HB3 ASP 50 -7.566 22.775 -14.415 400 H GLY 51 H GLY 51 -9.688 24.447 -11.245 401 HA2 GLY 51 HA2 GLY 51 -11.513 23.386 -10.228 402 HA3 GLY 51 HA3 GLY 51 -11.883 22.479 -11.681 403 H THR 52 H THR 52 -8.722 21.737 -11.413 404 HA THR 52 HA THR 52 -9.210 19.128 -10.437 405 HB THR 52 HB THR 52 -6.630 20.691 -10.698 406 HG1 THR 52 HG1 THR 52 -7.761 18.642 -12.282 407 HG21 THR 52 HG21 THR 52 -7.016 17.759 -10.103 408 HG22 THR 52 HG22 THR 52 -6.112 18.979 -9.153 409 HG23 THR 52 HG23 THR 52 -5.507 18.478 -10.736 410 H THR 53 H THR 53 -7.410 21.727 -8.557 411 HA THR 53 HA THR 53 -7.456 20.220 -6.180 412 HB THR 53 HB THR 53 -5.968 22.150 -6.862 413 HG1 THR 53 HG1 THR 53 -5.881 21.224 -4.830 414 HG21 THR 53 HG21 THR 53 -7.753 23.876 -7.289 415 HG22 THR 53 HG22 THR 53 -6.491 24.386 -6.159 416 HG23 THR 53 HG23 THR 53 -8.080 23.899 -5.541 417 H TYR 54 H TYR 54 -9.841 22.493 -7.432 418 HA TYR 54 HA TYR 54 -11.646 22.693 -5.228 419 HB2 TYR 54 HB2 TYR 54 -12.117 22.539 -8.244 420 HB3 TYR 54 HB3 TYR 54 -13.386 22.813 -7.093 421 HD1 TYR 54 HD2 TYR 54 -10.304 24.326 -8.552 422 HD2 TYR 54 HD1 TYR 54 -13.697 24.905 -5.948 423 HE1 TYR 54 HE2 TYR 54 -9.901 26.788 -8.576 424 HE2 TYR 54 HE1 TYR 54 -13.275 27.361 -5.950 425 HH TYR 54 HH TYR 54 -11.969 29.071 -6.747 426 H LYS 55 H LYS 55 -11.818 20.438 -8.049 427 HA LYS 55 HA LYS 55 -13.743 18.814 -7.041 428 HB2 LYS 55 HB2 LYS 55 -13.062 19.050 -9.377 429 HB3 LYS 55 HB3 LYS 55 -11.574 18.238 -9.074 430 HG2 LYS 55 HG2 LYS 55 -13.094 16.392 -9.735 431 HG3 LYS 55 HG3 LYS 55 -13.310 16.348 -8.021 432 HD2 LYS 55 HD2 LYS 55 -15.070 18.342 -8.541 433 HD3 LYS 55 HD3 LYS 55 -15.098 17.562 -10.122 434 HE2 LYS 55 HE2 LYS 55 -15.573 15.349 -9.027 435 HE3 LYS 55 HE3 LYS 55 -15.637 16.160 -7.461 436 HZ1 LYS 55 HZ1 LYS 55 -17.521 17.484 -8.310 437 HZ2 LYS 55 HZ2 LYS 55 -17.861 15.889 -8.403 438 HZ3 LYS 55 HZ3 LYS 55 -17.457 16.714 -9.750 439 H LYS 56 H LYS 56 -10.212 18.280 -6.678 440 HA LYS 56 HA LYS 56 -10.308 15.923 -5.059 441 HB2 LYS 56 HB2 LYS 56 -8.350 18.160 -5.245 442 HB3 LYS 56 HB3 LYS 56 -8.255 16.975 -3.929 443 HG2 LYS 56 HG2 LYS 56 -6.984 15.915 -5.491 444 HG3 LYS 56 HG3 LYS 56 -8.553 15.222 -5.933 445 HD2 LYS 56 HD2 LYS 56 -8.792 16.804 -7.741 446 HD3 LYS 56 HD3 LYS 56 -7.241 17.592 -7.329 447 HE2 LYS 56 HE2 LYS 56 -7.552 14.644 -7.869 448 HE3 LYS 56 HE3 LYS 56 -7.318 15.791 -9.201 449 HZ1 LYS 56 HZ1 LYS 56 -5.406 15.326 -6.970 450 HZ2 LYS 56 HZ2 LYS 56 -5.176 16.411 -8.180 451 HZ3 LYS 56 HZ3 LYS 56 -5.216 14.807 -8.493 452 H LEU 57 H LEU 57 -10.657 19.330 -3.795 453 HA LEU 57 HA LEU 57 -11.076 18.146 -1.159 454 HB2 LEU 57 HB2 LEU 57 -10.928 20.105 -0.247 455 HB3 LEU 57 HB3 LEU 57 -9.813 20.228 -1.591 456 HG LEU 57 HG LEU 57 -11.813 21.464 -2.821 457 HD11 LEU 57 HD11 LEU 57 -13.623 21.269 -1.193 458 HD12 LEU 57 HD12 LEU 57 -13.078 22.934 -1.191 459 HD13 LEU 57 HD13 LEU 57 -12.572 21.847 0.111 460 HD21 LEU 57 HD21 LEU 57 -9.686 22.471 -2.269 461 HD22 LEU 57 HD22 LEU 57 -10.207 22.754 -0.590 462 HD23 LEU 57 HD23 LEU 57 -10.995 23.610 -1.937 463 H VAL 58 H VAL 58 -13.290 19.288 -3.645 464 HA VAL 58 HA VAL 58 -15.555 19.094 -1.804 465 HB VAL 58 HB VAL 58 -15.377 20.678 -3.752 466 HG11 VAL 58 HG11 VAL 58 -15.914 20.022 -5.943 467 HG12 VAL 58 HG12 VAL 58 -14.753 18.818 -5.364 468 HG13 VAL 58 HG13 VAL 58 -16.464 18.397 -5.438 469 HG21 VAL 58 HG21 VAL 58 -17.465 20.330 -2.493 470 HG22 VAL 58 HG22 VAL 58 -17.752 20.685 -4.205 471 HG23 VAL 58 HG23 VAL 58 -17.904 19.015 -3.621 472 H THR 59 H THR 59 -13.824 16.869 -3.884 473 HA THR 59 HA THR 59 -15.908 14.813 -3.831 474 HB THR 59 HB THR 59 -14.031 14.918 -5.536 475 HG1 THR 59 HG1 THR 59 -15.330 13.180 -5.485 476 HG21 THR 59 HG21 THR 59 -12.133 13.233 -4.746 477 HG22 THR 59 HG22 THR 59 -12.376 14.035 -3.179 478 HG23 THR 59 HG23 THR 59 -12.017 14.975 -4.595 479 H LEU 60 H LEU 60 -13.136 15.711 -1.824 480 HA LEU 60 HA LEU 60 -12.974 13.604 -0.014 481 HB2 LEU 60 HB2 LEU 60 -12.557 16.503 0.285 482 HB3 LEU 60 HB3 LEU 60 -12.983 15.676 1.770 483 HG LEU 60 HG LEU 60 -10.645 15.893 1.531 484 HD11 LEU 60 HD11 LEU 60 -11.521 13.829 2.700 485 HD12 LEU 60 HD12 LEU 60 -9.869 13.752 2.086 486 HD13 LEU 60 HD13 LEU 60 -11.180 12.928 1.202 487 HD21 LEU 60 HD21 LEU 60 -9.339 14.663 -0.106 488 HD22 LEU 60 HD22 LEU 60 -10.318 15.970 -0.764 489 HD23 LEU 60 HD23 LEU 60 -10.857 14.288 -0.992 490 H TYR 61 H TYR 61 -15.274 16.308 0.374 491 HA TYR 61 HA TYR 61 -16.780 14.907 2.450 492 HB2 TYR 61 HB2 TYR 61 -17.955 16.737 2.821 493 HB3 TYR 61 HB3 TYR 61 -16.760 17.532 1.771 494 HD1 TYR 61 HD2 TYR 61 -20.226 16.246 2.071 495 HD2 TYR 61 HD1 TYR 61 -17.451 18.271 -0.518 496 HE1 TYR 61 HE2 TYR 61 -22.105 16.951 0.646 497 HE2 TYR 61 HE1 TYR 61 -19.365 18.934 -1.991 498 HH TYR 61 HH TYR 61 -22.743 18.056 -1.262 499 H ASP 62 H ASP 62 -17.178 15.251 -1.014 500 HA ASP 62 HA ASP 62 -19.723 14.075 -1.243 501 HB2 ASP 62 HB2 ASP 62 -18.332 15.218 -3.094 502 HB3 ASP 62 HB3 ASP 62 -17.636 13.611 -3.374 503 H ARG 63 H ARG 63 -16.727 12.433 -0.427 504 HA ARG 63 HA ARG 63 -18.454 9.969 -0.218 505 HB2 ARG 63 HB2 ARG 63 -15.436 9.851 -0.273 506 HB3 ARG 63 HB3 ARG 63 -16.563 8.509 -0.189 507 HG2 ARG 63 HG2 ARG 63 -16.032 10.273 -2.542 508 HG3 ARG 63 HG3 ARG 63 -15.754 8.519 -2.314 509 HD2 ARG 63 HD2 ARG 63 -17.874 7.927 -2.653 510 HD3 ARG 63 HD3 ARG 63 -18.557 9.502 -2.295 511 HE ARG 63 HE ARG 63 -16.799 9.094 -4.689 512 HH11 ARG 63 HH11 ARG 63 -19.631 10.665 -3.351 513 HH12 ARG 63 HH12 ARG 63 -19.829 11.586 -4.810 514 HH21 ARG 63 HH21 ARG 63 -17.293 10.123 -6.493 515 HH22 ARG 63 HH22 ARG 63 -18.696 11.174 -6.580 516 H PHE 64 H PHE 64 -16.156 11.940 1.681 517 HA PHE 64 HA PHE 64 -16.171 10.289 3.976 518 HB2 PHE 64 HB2 PHE 64 -14.551 12.014 3.727 519 HB3 PHE 64 HB3 PHE 64 -15.804 13.244 3.556 520 HD1 PHE 64 HD2 PHE 64 -17.052 14.034 5.539 521 HD2 PHE 64 HD1 PHE 64 -13.904 11.143 5.946 522 HE1 PHE 64 HE2 PHE 64 -17.083 14.383 7.988 523 HE2 PHE 64 HE1 PHE 64 -13.891 11.517 8.412 524 HZ PHE 64 HZ PHE 64 -15.507 13.094 9.440 525 H ARG 65 H ARG 65 -18.491 12.914 3.094 526 HA ARG 65 HA ARG 65 -20.018 12.714 5.577 527 HB2 ARG 65 HB2 ARG 65 -20.289 14.168 2.895 528 HB3 ARG 65 HB3 ARG 65 -21.409 14.374 4.130 529 HG2 ARG 65 HG2 ARG 65 -18.523 15.140 4.268 530 HG3 ARG 65 HG3 ARG 65 -19.902 16.243 4.204 531 HD2 ARG 65 HD2 ARG 65 -19.239 14.379 6.463 532 HD3 ARG 65 HD3 ARG 65 -18.908 16.107 6.453 533 HE ARG 65 HE ARG 65 -21.428 16.430 6.236 534 HH11 ARG 65 HH11 ARG 65 -20.221 13.593 7.911 535 HH12 ARG 65 HH12 ARG 65 -21.453 13.690 9.141 536 HH21 ARG 65 HH21 ARG 65 -23.074 16.365 7.735 537 HH22 ARG 65 HH22 ARG 65 -23.106 15.083 8.914 538 H PHE 66 H PHE 66 -20.348 11.682 2.338 539 HA PHE 66 HA PHE 66 -22.959 10.360 2.820 540 HB2 PHE 66 HB2 PHE 66 -21.414 10.830 0.260 541 HB3 PHE 66 HB3 PHE 66 -23.021 10.148 0.357 542 HD1 PHE 66 HD2 PHE 66 -24.388 11.954 2.345 543 HD2 PHE 66 HD1 PHE 66 -21.672 12.845 -0.887 544 HE1 PHE 66 HE2 PHE 66 -25.346 14.229 2.160 545 HE2 PHE 66 HE1 PHE 66 -22.640 15.110 -1.079 546 HZ PHE 66 HZ PHE 66 -24.485 15.814 0.448 547 H GLU 67 H GLU 67 -20.007 9.204 1.130 548 HA GLU 67 HA GLU 67 -21.098 6.555 0.788 549 HB2 GLU 67 HB2 GLU 67 -19.304 7.918 -0.702 550 HB3 GLU 67 HB3 GLU 67 -18.179 7.280 0.445 551 HG2 GLU 67 HG2 GLU 67 -18.322 5.936 -1.598 552 HG3 GLU 67 HG3 GLU 67 -18.607 5.026 -0.131 553 H ASN 68 H ASN 68 -18.587 7.876 2.793 554 HA ASN 68 HA ASN 68 -17.542 5.288 3.680 555 HB2 ASN 68 HB2 ASN 68 -16.762 8.110 4.523 556 HB3 ASN 68 HB3 ASN 68 -15.875 6.643 4.917 557 HD21 ASN 68 HD21 ASN 68 -15.613 5.263 2.566 558 HD22 ASN 68 HD22 ASN 68 -14.832 6.285 1.372 559 H1 GLY 1 H1 GLY 1 -14.334 12.733 35.654 560 H2 GLY 1 H2 GLY 1 -15.732 12.453 36.458 561 H3 GLY 1 H3 GLY 1 -14.438 13.068 37.255 562 HA2 GLY 1 HA2 GLY 1 -16.059 14.801 36.853 563 HA3 GLY 1 HA3 GLY 1 -14.535 15.110 36.001 564 H SER 2 H SER 2 -17.085 16.205 35.295 565 HA SER 2 HA SER 2 -18.017 14.829 32.871 566 HB2 SER 2 HB2 SER 2 -19.579 16.743 32.716 567 HB3 SER 2 HB3 SER 2 -19.674 15.875 34.256 568 HG SER 2 HG SER 2 -19.648 18.155 34.549 569 H HIS 3 H HIS 3 -18.145 15.918 30.807 570 HA HIS 3 HA HIS 3 -15.855 17.742 30.195 571 HB2 HIS 3 HB2 HIS 3 -16.697 15.222 28.740 572 HB3 HIS 3 HB3 HIS 3 -15.460 16.334 28.147 573 HD1 HIS 3 HD1 HIS 3 -15.697 13.177 29.908 574 HD2 HIS 3 HD2 HIS 3 -13.528 16.726 30.530 575 HE1 HIS 3 HE1 HIS 3 -13.776 12.578 31.470 576 H MET 4 H MET 4 -16.454 19.499 29.188 577 HA MET 4 HA MET 4 -19.156 19.741 27.966 578 HB2 MET 4 HB2 MET 4 -18.535 21.196 29.882 579 HB3 MET 4 HB3 MET 4 -17.189 21.848 28.954 580 HG2 MET 4 HG2 MET 4 -19.153 23.348 29.023 581 HG3 MET 4 HG3 MET 4 -18.674 22.919 27.394 582 HE1 MET 4 HE1 MET 4 -20.883 20.821 30.030 583 HE2 MET 4 HE2 MET 4 -21.324 22.533 30.240 584 HE3 MET 4 HE3 MET 4 -22.495 21.389 29.551 585 H ARG 5 H ARG 5 -19.356 21.114 25.997 586 HA ARG 5 HA ARG 5 -16.929 21.140 24.262 587 HB2 ARG 5 HB2 ARG 5 -19.004 19.349 23.906 588 HB3 ARG 5 HB3 ARG 5 -19.513 20.654 22.879 589 HG2 ARG 5 HG2 ARG 5 -17.199 20.641 21.840 590 HG3 ARG 5 HG3 ARG 5 -16.833 19.199 22.718 591 HD2 ARG 5 HD2 ARG 5 -17.356 18.557 20.542 592 HD3 ARG 5 HD3 ARG 5 -18.529 17.897 21.639 593 HE ARG 5 HE ARG 5 -19.041 20.374 19.964 594 HH11 ARG 5 HH11 ARG 5 -20.322 17.333 21.159 595 HH12 ARG 5 HH12 ARG 5 -21.913 17.690 20.549 596 HH21 ARG 5 HH21 ARG 5 -21.033 20.764 19.261 597 HH22 ARG 5 HH22 ARG 5 -22.301 19.583 19.475 598 H MET 6 H MET 6 -16.690 22.847 22.932 599 HA MET 6 HA MET 6 -18.828 24.881 22.883 600 HB2 MET 6 HB2 MET 6 -15.833 25.284 22.692 601 HB3 MET 6 HB3 MET 6 -17.035 26.577 22.776 602 HG2 MET 6 HG2 MET 6 -16.488 24.553 24.979 603 HG3 MET 6 HG3 MET 6 -15.881 26.208 24.928 604 HE1 MET 6 HE1 MET 6 -16.762 26.634 27.377 605 HE2 MET 6 HE2 MET 6 -18.422 26.273 27.898 606 HE3 MET 6 HE3 MET 6 -17.336 24.951 27.415 607 H SER 7 H SER 7 -18.171 22.713 20.909 608 HA SER 7 HA SER 7 -17.803 22.281 18.801 609 HB2 SER 7 HB2 SER 7 -19.815 24.513 18.507 610 HB3 SER 7 HB3 SER 7 -19.388 23.390 17.198 611 HG SER 7 HG SER 7 -21.236 22.822 18.587 612 H LEU 8 H LEU 8 -18.060 25.730 17.731 613 HA LEU 8 HA LEU 8 -15.185 25.506 16.908 614 HB2 LEU 8 HB2 LEU 8 -17.125 26.827 15.030 615 HB3 LEU 8 HB3 LEU 8 -15.530 26.245 14.766 616 HG LEU 8 HG LEU 8 -17.715 24.218 15.366 617 HD11 LEU 8 HD11 LEU 8 -17.054 25.359 12.638 618 HD12 LEU 8 HD12 LEU 8 -18.579 25.576 13.532 619 HD13 LEU 8 HD13 LEU 8 -18.101 23.959 12.999 620 HD21 LEU 8 HD21 LEU 8 -15.148 24.231 13.749 621 HD22 LEU 8 HD22 LEU 8 -16.202 22.819 13.996 622 HD23 LEU 8 HD23 LEU 8 -15.329 23.538 15.375 623 H ILE 9 H ILE 9 -14.707 26.738 18.844 624 HA ILE 9 HA ILE 9 -15.596 29.417 19.161 625 HB ILE 9 HB ILE 9 -12.805 28.583 19.954 626 HG12 ILE 9 HG12 ILE 9 -15.316 27.484 21.246 627 HG13 ILE 9 HG13 ILE 9 -14.079 26.563 20.478 628 HG21 ILE 9 HG21 ILE 9 -13.270 29.973 21.899 629 HG22 ILE 9 HG22 ILE 9 -13.709 30.870 20.450 630 HG23 ILE 9 HG23 ILE 9 -14.979 30.116 21.436 631 HD11 ILE 9 HD11 ILE 9 -12.431 27.424 22.174 632 HD12 ILE 9 HD12 ILE 9 -13.832 28.028 23.097 633 HD13 ILE 9 HD13 ILE 9 -13.668 26.294 22.752 634 H GLY 10 H GLY 10 -13.035 27.996 17.213 635 HA2 GLY 10 HA2 GLY 10 -12.044 29.069 15.268 636 HA3 GLY 10 HA3 GLY 10 -12.347 30.634 15.967 637 H GLU 11 H GLU 11 -11.158 28.659 18.438 638 HA GLU 11 HA GLU 11 -8.296 28.758 17.682 639 HB2 GLU 11 HB2 GLU 11 -9.246 29.859 20.362 640 HB3 GLU 11 HB3 GLU 11 -7.580 29.602 19.856 641 HG2 GLU 11 HG2 GLU 11 -7.884 31.261 18.017 642 HG3 GLU 11 HG3 GLU 11 -9.519 31.590 18.608 643 H ARG 12 H ARG 12 -10.367 27.980 20.500 644 HA ARG 12 HA ARG 12 -10.597 26.163 21.830 645 HB2 ARG 12 HB2 ARG 12 -10.056 24.268 19.609 646 HB3 ARG 12 HB3 ARG 12 -11.139 24.178 20.939 647 HG2 ARG 12 HG2 ARG 12 -12.862 24.759 19.716 648 HG3 ARG 12 HG3 ARG 12 -12.179 26.331 19.389 649 HD2 ARG 12 HD2 ARG 12 -12.035 23.743 17.809 650 HD3 ARG 12 HD3 ARG 12 -12.577 25.326 17.235 651 HE ARG 12 HE ARG 12 -9.975 25.861 17.716 652 HH11 ARG 12 HH12 ARG 12 -11.157 23.075 15.929 653 HH12 ARG 12 HH11 ARG 12 -9.525 22.644 15.471 654 HH21 ARG 12 HH21 ARG 12 -8.128 25.384 16.968 655 HH22 ARG 12 HH22 ARG 12 -7.947 24.200 15.709 656 H PHE 13 H PHE 13 -8.176 27.209 22.117 657 HA PHE 13 HA PHE 13 -6.110 25.222 21.600 658 HB2 PHE 13 HB2 PHE 13 -6.404 27.925 21.203 659 HB3 PHE 13 HB3 PHE 13 -5.479 27.907 22.677 660 HD1 PHE 13 HD2 PHE 13 -5.715 26.604 19.204 661 HD2 PHE 13 HD1 PHE 13 -3.091 27.378 22.534 662 HE1 PHE 13 HE2 PHE 13 -3.728 26.320 17.705 663 HE2 PHE 13 HE1 PHE 13 -1.107 26.991 21.065 664 HZ PHE 13 HZ PHE 13 -1.430 26.491 18.648 665 H THR 14 H THR 14 -5.983 23.765 23.177 666 HA THR 14 HA THR 14 -5.338 22.694 24.982 667 HB THR 14 HB THR 14 -3.184 23.383 24.698 668 HG1 THR 14 HG1 THR 14 -3.348 22.509 26.685 669 HG21 THR 14 HG21 THR 14 -3.410 25.763 24.317 670 HG22 THR 14 HG22 THR 14 -2.170 25.438 25.535 671 HG23 THR 14 HG23 THR 14 -3.760 26.046 26.039 672 H GLU 15 H GLU 15 -5.581 25.907 26.556 673 HA GLU 15 HA GLU 15 -7.174 24.950 28.789 674 HB2 GLU 15 HB2 GLU 15 -6.621 27.696 27.578 675 HB3 GLU 15 HB3 GLU 15 -7.578 27.441 29.053 676 HG2 GLU 15 HG2 GLU 15 -5.616 26.299 30.102 677 HG3 GLU 15 HG3 GLU 15 -4.654 26.664 28.668 678 H GLU 16 H GLU 16 -7.936 26.233 25.560 679 HA GLU 16 HA GLU 16 -10.860 25.999 26.131 680 HB2 GLU 16 HB2 GLU 16 -9.565 27.197 23.686 681 HB3 GLU 16 HB3 GLU 16 -11.245 27.290 24.160 682 HG2 GLU 16 HG2 GLU 16 -8.886 28.613 25.553 683 HG3 GLU 16 HG3 GLU 16 -10.107 29.398 24.566 684 H GLU 17 H GLU 17 -8.618 23.899 25.239 685 HA GLU 17 HA GLU 17 -9.643 22.661 22.897 686 HB2 GLU 17 HB2 GLU 17 -7.377 22.401 23.960 687 HB3 GLU 17 HB3 GLU 17 -8.110 21.330 25.160 688 HG2 GLU 17 HG2 GLU 17 -8.699 19.740 23.313 689 HG3 GLU 17 HG3 GLU 17 -8.014 20.882 22.152 690 H GLN 18 H GLN 18 -10.997 22.477 25.992 691 HA GLN 18 HA GLN 18 -12.017 20.074 26.442 692 HB2 GLN 18 HB2 GLN 18 -13.963 20.733 27.478 693 HB3 GLN 18 HB3 GLN 18 -12.723 21.907 27.820 694 HG2 GLN 18 HG2 GLN 18 -15.043 22.191 25.862 695 HG3 GLN 18 HG3 GLN 18 -14.880 22.891 27.495 696 HE21 GLN 18 HE22 GLN 18 -14.479 23.579 24.220 697 HE22 GLN 18 HE21 GLN 18 -13.158 24.748 24.334 698 H LYS 19 H LYS 19 -13.240 22.023 23.835 699 HA LYS 19 HA LYS 19 -15.250 20.458 22.673 700 HB2 LYS 19 HB2 LYS 19 -14.683 22.636 21.819 701 HB3 LYS 19 HB3 LYS 19 -13.030 22.207 21.698 702 HG2 LYS 19 HG2 LYS 19 -14.372 22.564 19.607 703 HG3 LYS 19 HG3 LYS 19 -13.089 21.352 19.777 704 HD2 LYS 19 HD2 LYS 19 -14.311 19.605 19.481 705 HD3 LYS 19 HD3 LYS 19 -15.736 20.252 20.219 706 HE2 LYS 19 HE2 LYS 19 -15.823 19.691 17.670 707 HE3 LYS 19 HE3 LYS 19 -16.384 21.290 18.103 708 HZ1 LYS 19 HZ1 LYS 19 -14.409 22.263 17.365 709 HZ2 LYS 19 HZ2 LYS 19 -14.831 21.250 16.172 710 HZ3 LYS 19 HZ3 LYS 19 -13.598 20.830 17.163 711 H LEU 20 H LEU 20 -11.822 20.230 21.896 712 HA LEU 20 HA LEU 20 -12.109 17.989 20.072 713 HB2 LEU 20 HB2 LEU 20 -9.645 19.325 21.310 714 HB3 LEU 20 HB3 LEU 20 -9.610 18.233 19.978 715 HG LEU 20 HG LEU 20 -9.288 20.152 18.922 716 HD11 LEU 20 HD11 LEU 20 -11.032 18.954 17.775 717 HD12 LEU 20 HD12 LEU 20 -11.290 20.703 17.613 718 HD13 LEU 20 HD13 LEU 20 -12.302 19.725 18.707 719 HD21 LEU 20 HD21 LEU 20 -10.578 22.222 19.365 720 HD22 LEU 20 HD22 LEU 20 -9.486 21.677 20.655 721 HD23 LEU 20 HD23 LEU 20 -11.207 21.491 20.852 722 H LEU 21 H LEU 21 -11.129 18.578 23.277 723 HA LEU 21 HA LEU 21 -10.151 16.112 24.337 724 HB2 LEU 21 HB2 LEU 21 -9.831 18.059 25.563 725 HB3 LEU 21 HB3 LEU 21 -11.420 18.628 25.234 726 HG LEU 21 HG LEU 21 -11.094 18.387 27.551 727 HD11 LEU 21 HD11 LEU 21 -13.436 17.904 26.856 728 HD12 LEU 21 HD12 LEU 21 -12.926 17.230 28.384 729 HD13 LEU 21 HD13 LEU 21 -13.063 16.169 26.986 730 HD21 LEU 21 HD21 LEU 21 -9.464 16.492 27.431 731 HD22 LEU 21 HD22 LEU 21 -10.845 15.391 27.104 732 HD23 LEU 21 HD23 LEU 21 -10.731 16.272 28.653 733 H LEU 22 H LEU 22 -13.585 17.412 24.029 734 HA LEU 22 HA LEU 22 -14.503 14.998 25.411 735 HB2 LEU 22 HB2 LEU 22 -15.862 16.998 25.619 736 HB3 LEU 22 HB3 LEU 22 -15.959 17.188 23.868 737 HG LEU 22 HG LEU 22 -17.314 15.095 23.702 738 HD11 LEU 22 HD11 LEU 22 -18.276 14.051 25.650 739 HD12 LEU 22 HD12 LEU 22 -17.482 15.207 26.727 740 HD13 LEU 22 HD13 LEU 22 -16.521 13.997 25.841 741 HD21 LEU 22 HD21 LEU 22 -19.371 16.013 24.721 742 HD22 LEU 22 HD22 LEU 22 -18.447 17.208 23.808 743 HD23 LEU 22 HD23 LEU 22 -18.389 17.219 25.587 744 H ASN 23 H ASN 23 -14.427 16.213 22.150 745 HA ASN 23 HA ASN 23 -15.661 14.138 20.705 746 HB2 ASN 23 HB2 ASN 23 -13.665 16.389 20.158 747 HB3 ASN 23 HB3 ASN 23 -14.069 15.326 18.916 748 HD21 ASN 23 HD21 ASN 23 -14.657 17.941 18.756 749 HD22 ASN 23 HD22 ASN 23 -16.403 18.142 18.794 750 H ILE 24 H ILE 24 -12.234 14.419 21.601 751 HA ILE 24 HA ILE 24 -11.601 11.852 20.272 752 HB ILE 24 HB ILE 24 -9.416 11.971 21.174 753 HG12 ILE 24 HG12 ILE 24 -10.426 14.210 22.907 754 HG13 ILE 24 HG13 ILE 24 -9.681 12.716 23.379 755 HG21 ILE 24 HG21 ILE 24 -9.957 13.180 19.113 756 HG22 ILE 24 HG22 ILE 24 -10.172 14.673 20.030 757 HG23 ILE 24 HG23 ILE 24 -8.590 13.880 19.972 758 HD11 ILE 24 HD11 ILE 24 -7.513 13.497 22.371 759 HD12 ILE 24 HD12 ILE 24 -8.286 15.072 22.047 760 HD13 ILE 24 HD13 ILE 24 -8.099 14.503 23.713 761 H LEU 25 H LEU 25 -12.509 12.824 23.566 762 HA LEU 25 HA LEU 25 -11.813 10.335 24.773 763 HB2 LEU 25 HB2 LEU 25 -11.958 12.420 25.920 764 HB3 LEU 25 HB3 LEU 25 -13.675 12.591 25.595 765 HG LEU 25 HG LEU 25 -12.750 10.152 27.124 766 HD11 LEU 25 HD11 LEU 25 -12.993 12.961 28.272 767 HD12 LEU 25 HD12 LEU 25 -11.515 11.985 28.169 768 HD13 LEU 25 HD13 LEU 25 -12.834 11.461 29.227 769 HD21 LEU 25 HD21 LEU 25 -14.880 10.520 28.327 770 HD22 LEU 25 HD22 LEU 25 -15.184 10.454 26.589 771 HD23 LEU 25 HD23 LEU 25 -15.158 12.021 27.416 772 H ILE 26 H ILE 26 -14.777 11.382 23.120 773 HA ILE 26 HA ILE 26 -16.256 8.971 23.887 774 HB ILE 26 HB ILE 26 -18.103 9.839 22.679 775 HG12 ILE 26 HG12 ILE 26 -16.494 12.233 21.737 776 HG13 ILE 26 HG13 ILE 26 -16.699 10.806 20.725 777 HG21 ILE 26 HG21 ILE 26 -17.683 10.662 24.931 778 HG22 ILE 26 HG22 ILE 26 -16.790 12.045 24.288 779 HG23 ILE 26 HG23 ILE 26 -18.520 11.865 23.944 780 HD11 ILE 26 HD11 ILE 26 -19.182 11.033 20.921 781 HD12 ILE 26 HD12 ILE 26 -18.938 12.568 21.792 782 HD13 ILE 26 HD13 ILE 26 -18.387 12.406 20.115 783 H ASN 27 H ASN 27 -17.693 8.276 21.783 784 HA ASN 27 HA ASN 27 -16.361 6.102 20.752 785 HB2 ASN 27 HB2 ASN 27 -18.753 7.463 19.430 786 HB3 ASN 27 HB3 ASN 27 -18.368 5.749 19.441 787 HD21 ASN 27 HD21 ASN 27 -20.032 8.290 21.067 788 HD22 ASN 27 HD22 ASN 27 -20.492 7.378 22.485 789 H HIS 28 H HIS 28 -16.655 9.275 19.147 790 HA HIS 28 HA HIS 28 -14.758 8.462 17.059 791 HB2 HIS 28 HB2 HIS 28 -16.918 7.822 16.090 792 HB3 HIS 28 HB3 HIS 28 -17.597 9.404 16.475 793 HD1 HIS 28 HD1 HIS 28 -17.371 11.195 14.579 794 HD2 HIS 28 HD2 HIS 28 -14.760 7.915 14.211 795 HE1 HIS 28 HE1 HIS 28 -16.108 11.528 12.387 796 H GLU 29 H GLU 29 -13.674 10.117 16.093 797 HA GLU 29 HA GLU 29 -13.247 12.488 17.657 798 HB2 GLU 29 HB2 GLU 29 -12.073 11.581 15.003 799 HB3 GLU 29 HB3 GLU 29 -11.480 12.932 15.984 800 HG2 GLU 29 HG2 GLU 29 -10.979 11.401 17.848 801 HG3 GLU 29 HG3 GLU 29 -11.595 10.032 16.926 802 H TYR 30 H TYR 30 -15.472 13.209 17.435 803 HA TYR 30 HA TYR 30 -16.846 13.788 15.192 804 HB2 TYR 30 HB2 TYR 30 -17.687 13.652 17.501 805 HB3 TYR 30 HB3 TYR 30 -16.896 15.190 17.859 806 HD1 TYR 30 HD1 TYR 30 -19.134 14.034 15.028 807 HD2 TYR 30 HD2 TYR 30 -18.475 16.837 18.245 808 HE1 TYR 30 HE1 TYR 30 -21.149 15.286 14.344 809 HE2 TYR 30 HE2 TYR 30 -20.476 18.100 17.549 810 HH TYR 30 HH TYR 30 -22.573 17.037 14.826 811 H ALA 31 H ALA 31 -14.809 16.331 16.791 812 HA ALA 31 HA ALA 31 -15.089 18.538 15.449 813 HB1 ALA 31 HB1 ALA 31 -13.330 18.103 17.012 814 HB2 ALA 31 HB2 ALA 31 -12.488 17.045 15.850 815 HB3 ALA 31 HB3 ALA 31 -12.624 18.781 15.515 816 H ILE 32 H ILE 32 -13.255 15.791 13.960 817 HA ILE 32 HA ILE 32 -12.749 16.982 11.482 818 HB ILE 32 HB ILE 32 -13.006 14.104 12.377 819 HG12 ILE 32 HG12 ILE 32 -10.555 14.024 12.036 820 HG13 ILE 32 HG13 ILE 32 -10.552 15.727 11.581 821 HG21 ILE 32 HG21 ILE 32 -12.005 15.079 9.697 822 HG22 ILE 32 HG22 ILE 32 -11.929 13.396 10.324 823 HG23 ILE 32 HG23 ILE 32 -13.476 14.117 9.950 824 HD11 ILE 32 HD11 ILE 32 -9.829 15.100 13.970 825 HD12 ILE 32 HD12 ILE 32 -11.040 16.390 13.836 826 HD13 ILE 32 HD13 ILE 32 -11.523 14.729 14.286 827 H GLU 33 H GLU 33 -15.538 15.006 12.461 828 HA GLU 33 HA GLU 33 -16.904 14.999 9.948 829 HB2 GLU 33 HB2 GLU 33 -17.510 13.653 12.018 830 HB3 GLU 33 HB3 GLU 33 -18.332 15.119 12.611 831 HG2 GLU 33 HG2 GLU 33 -19.671 15.187 10.519 832 HG3 GLU 33 HG3 GLU 33 -18.855 13.726 9.955 833 H LEU 34 H LEU 34 -16.877 17.379 12.587 834 HA LEU 34 HA LEU 34 -18.569 19.281 11.316 835 HB2 LEU 34 HB2 LEU 34 -16.189 20.121 13.018 836 HB3 LEU 34 HB3 LEU 34 -17.682 20.972 12.720 837 HG LEU 34 HG LEU 34 -17.211 18.583 14.516 838 HD11 LEU 34 HD11 LEU 34 -16.671 20.869 15.339 839 HD12 LEU 34 HD12 LEU 34 -17.994 20.104 16.249 840 HD13 LEU 34 HD13 LEU 34 -18.349 21.356 15.040 841 HD21 LEU 34 HD21 LEU 34 -19.611 18.840 15.128 842 HD22 LEU 34 HD22 LEU 34 -19.321 18.075 13.567 843 HD23 LEU 34 HD23 LEU 34 -19.851 19.791 13.645 844 H LEU 35 H LEU 35 -14.982 18.859 11.043 845 HA LEU 35 HA LEU 35 -14.440 21.091 9.442 846 HB2 LEU 35 HB2 LEU 35 -12.811 19.450 10.481 847 HB3 LEU 35 HB3 LEU 35 -13.113 18.341 9.168 848 HG LEU 35 HG LEU 35 -11.957 21.138 8.796 849 HD11 LEU 35 HD11 LEU 35 -10.491 19.607 10.157 850 HD12 LEU 35 HD12 LEU 35 -9.803 19.998 8.582 851 HD13 LEU 35 HD13 LEU 35 -10.578 18.421 8.851 852 HD21 LEU 35 HD21 LEU 35 -12.191 18.752 6.939 853 HD22 LEU 35 HD22 LEU 35 -11.097 20.119 6.649 854 HD23 LEU 35 HD23 LEU 35 -12.828 20.393 6.680 855 H SER 36 H SER 36 -15.177 17.725 8.165 856 HA SER 36 HA SER 36 -15.157 18.568 5.446 857 HB2 SER 36 HB2 SER 36 -14.925 16.229 6.322 858 HB3 SER 36 HB3 SER 36 -16.671 16.240 6.624 859 HG SER 36 HG SER 36 -15.297 16.483 4.143 860 H SER 37 H SER 37 -17.851 18.322 7.790 861 HA SER 37 HA SER 37 -19.927 18.867 5.934 862 HB2 SER 37 HB2 SER 37 -20.131 17.979 8.304 863 HB3 SER 37 HB3 SER 37 -19.965 19.656 8.864 864 HG SER 37 HG SER 37 -22.158 19.137 8.581 865 H GLU 38 H GLU 38 -17.905 20.879 7.940 866 HA GLU 38 HA GLU 38 -19.069 23.500 7.464 867 HB2 GLU 38 HB2 GLU 38 -16.437 22.510 8.602 868 HB3 GLU 38 HB3 GLU 38 -16.575 24.178 8.224 869 HG2 GLU 38 HG2 GLU 38 -18.496 22.700 10.074 870 HG3 GLU 38 HG3 GLU 38 -17.103 23.642 10.598 871 H ILE 39 H ILE 39 -16.136 21.938 6.030 872 HA ILE 39 HA ILE 39 -15.512 24.201 4.390 873 HB ILE 39 HB ILE 39 -14.140 22.654 3.077 874 HG12 ILE 39 HG12 ILE 39 -13.818 20.359 4.564 875 HG13 ILE 39 HG13 ILE 39 -15.559 20.561 4.573 876 HG21 ILE 39 HG21 ILE 39 -13.327 23.840 5.042 877 HG22 ILE 39 HG22 ILE 39 -13.844 22.531 6.107 878 HG23 ILE 39 HG23 ILE 39 -12.529 22.265 4.945 879 HD11 ILE 39 HD11 ILE 39 -13.738 20.427 2.127 880 HD12 ILE 39 HD12 ILE 39 -14.823 19.142 2.696 881 HD13 ILE 39 HD13 ILE 39 -15.495 20.648 2.040 882 H ASN 40 H ASN 40 -17.402 21.233 3.742 883 HA ASN 40 HA ASN 40 -17.991 22.187 1.060 884 HB2 ASN 40 HB2 ASN 40 -19.201 20.375 0.650 885 HB3 ASN 40 HB3 ASN 40 -18.137 19.766 1.916 886 HD21 ASN 40 HD21 ASN 40 -19.090 19.109 3.850 887 HD22 ASN 40 HD22 ASN 40 -20.837 19.063 4.074 888 H ASP 41 H ASP 41 -19.595 22.933 4.141 889 HA ASP 41 HA ASP 41 -21.951 24.065 2.890 890 HB2 ASP 41 HB2 ASP 41 -21.634 23.352 5.332 891 HB3 ASP 41 HB3 ASP 41 -20.781 24.878 5.568 892 H ILE 42 H ILE 42 -18.670 25.230 3.433 893 HA ILE 42 HA ILE 42 -19.341 27.976 2.519 894 HB ILE 42 HB ILE 42 -16.748 26.617 3.296 895 HG12 ILE 42 HG12 ILE 42 -16.691 28.592 4.878 896 HG13 ILE 42 HG13 ILE 42 -18.295 29.053 4.323 897 HG21 ILE 42 HG21 ILE 42 -15.606 28.795 2.877 898 HG22 ILE 42 HG22 ILE 42 -16.138 28.031 1.387 899 HG23 ILE 42 HG23 ILE 42 -17.068 29.392 2.062 900 HD11 ILE 42 HD11 ILE 42 -18.449 27.863 6.451 901 HD12 ILE 42 HD12 ILE 42 -19.145 26.817 5.225 902 HD13 ILE 42 HD13 ILE 42 -17.485 26.529 5.798 903 H GLU 43 H GLU 43 -17.621 25.171 1.179 904 HA GLU 43 HA GLU 43 -16.874 26.407 -1.259 905 HB2 GLU 43 HB2 GLU 43 -16.037 24.240 -0.140 906 HB3 GLU 43 HB3 GLU 43 -17.370 23.420 -0.903 907 HG2 GLU 43 HG2 GLU 43 -15.304 23.167 -2.211 908 HG3 GLU 43 HG3 GLU 43 -16.549 23.992 -3.132 909 H THR 44 H THR 44 -19.650 24.341 -0.574 910 HA THR 44 HA THR 44 -20.889 25.123 -3.196 911 HB THR 44 HB THR 44 -20.115 22.852 -3.371 912 HG1 THR 44 HG1 THR 44 -22.005 23.318 -4.431 913 HG21 THR 44 HG21 THR 44 -21.862 22.247 -0.957 914 HG22 THR 44 HG22 THR 44 -20.104 22.027 -1.116 915 HG23 THR 44 HG23 THR 44 -21.202 21.028 -2.069 916 H GLY 45 H GLY 45 -21.591 24.359 0.260 917 HA2 GLY 45 HA2 GLY 45 -24.360 25.055 0.140 918 HA3 GLY 45 HA3 GLY 45 -23.325 25.193 1.561 919 H THR 46 H THR 46 -21.528 27.116 0.064 920 HA THR 46 HA THR 46 -21.170 29.267 -0.269 921 HB THR 46 HB THR 46 -23.959 29.719 -1.326 922 HG1 THR 46 HG1 THR 46 -23.119 27.780 -2.223 923 HG21 THR 46 HG21 THR 46 -22.386 31.664 -1.307 924 HG22 THR 46 HG22 THR 46 -22.699 31.112 -2.957 925 HG23 THR 46 HG23 THR 46 -21.174 30.677 -2.149 926 H LYS 47 H LYS 47 -21.682 28.671 2.306 927 HA LYS 47 HA LYS 47 -23.095 30.821 3.660 928 HB2 LYS 47 HB2 LYS 47 -20.597 29.244 4.430 929 HB3 LYS 47 HB3 LYS 47 -21.434 30.356 5.489 930 HG2 LYS 47 HG2 LYS 47 -22.494 27.732 4.399 931 HG3 LYS 47 HG3 LYS 47 -22.000 28.065 6.041 932 HD2 LYS 47 HD2 LYS 47 -24.407 29.272 4.606 933 HD3 LYS 47 HD3 LYS 47 -24.463 27.964 5.766 934 HE2 LYS 47 HE2 LYS 47 -23.473 30.778 6.418 935 HE3 LYS 47 HE3 LYS 47 -25.120 30.205 6.685 936 HZ1 LYS 47 HZ1 LYS 47 -24.228 28.494 8.172 937 HZ2 LYS 47 HZ2 LYS 47 -23.822 29.982 8.703 938 HZ3 LYS 47 HZ3 LYS 47 -22.705 29.045 7.968 939 H ASN 48 H ASN 48 -22.353 32.846 4.329 940 HA ASN 48 HA ASN 48 -19.816 33.894 3.211 941 HB2 ASN 48 HB2 ASN 48 -21.488 34.207 1.429 942 HB3 ASN 48 HB3 ASN 48 -22.581 35.002 2.563 943 HD21 ASN 48 HD21 ASN 48 -22.519 37.227 2.416 944 HD22 ASN 48 HD22 ASN 48 -21.098 38.139 1.929 945 H VAL 49 H VAL 49 -18.813 35.067 4.653 946 HA VAL 49 HA VAL 49 -19.966 37.046 6.392 947 HB VAL 49 HB VAL 49 -20.644 35.137 7.711 948 HG11 VAL 49 HG11 VAL 49 -17.760 34.221 7.719 949 HG12 VAL 49 HG12 VAL 49 -19.085 33.513 8.675 950 HG13 VAL 49 HG13 VAL 49 -19.118 33.402 6.912 951 HG21 VAL 49 HG21 VAL 49 -19.737 37.102 8.977 952 HG22 VAL 49 HG22 VAL 49 -19.682 35.554 9.839 953 HG23 VAL 49 HG23 VAL 49 -18.199 36.207 9.141 954 H ASP 50 H ASP 50 -18.147 37.946 7.828 955 HA ASP 50 HA ASP 50 -15.587 38.231 6.448 956 HB2 ASP 50 HB2 ASP 50 -16.957 39.933 7.920 957 HB3 ASP 50 HB3 ASP 50 -16.191 39.112 9.273 958 H GLY 51 H GLY 51 -13.749 38.152 8.636 959 HA2 GLY 51 HA2 GLY 51 -12.640 35.729 8.295 960 HA3 GLY 51 HA3 GLY 51 -12.309 36.740 9.683 961 H THR 52 H THR 52 -15.396 35.991 10.301 962 HA THR 52 HA THR 52 -15.021 34.071 12.338 963 HB THR 52 HB THR 52 -17.446 34.525 10.549 964 HG1 THR 52 HG1 THR 52 -16.768 35.670 13.058 965 HG21 THR 52 HG21 THR 52 -17.198 33.320 13.332 966 HG22 THR 52 HG22 THR 52 -17.673 32.465 11.849 967 HG23 THR 52 HG23 THR 52 -18.731 33.724 12.509 968 H THR 53 H THR 53 -16.467 33.276 9.028 969 HA THR 53 HA THR 53 -16.164 30.521 9.542 970 HB THR 53 HB THR 53 -17.783 31.588 7.982 971 HG1 THR 53 HG1 THR 53 -17.497 29.410 7.956 972 HG21 THR 53 HG21 THR 53 -15.561 31.499 5.899 973 HG22 THR 53 HG22 THR 53 -16.123 33.006 6.656 974 HG23 THR 53 HG23 THR 53 -17.239 32.023 5.689 975 H TYR 54 H TYR 54 -14.025 32.740 7.831 976 HA TYR 54 HA TYR 54 -12.048 31.023 6.772 977 HB2 TYR 54 HB2 TYR 54 -11.778 33.684 8.246 978 HB3 TYR 54 HB3 TYR 54 -10.460 32.890 7.434 979 HD1 TYR 54 HD1 TYR 54 -13.856 34.381 6.765 980 HD2 TYR 54 HD2 TYR 54 -10.038 33.185 5.156 981 HE1 TYR 54 HE1 TYR 54 -14.417 35.506 4.622 982 HE2 TYR 54 HE2 TYR 54 -10.596 34.318 3.006 983 HH TYR 54 HH TYR 54 -12.148 35.540 1.841 984 H LYS 55 H LYS 55 -12.099 32.537 10.059 985 HA LYS 55 HA LYS 55 -10.021 31.093 11.077 986 HB2 LYS 55 HB2 LYS 55 -10.839 33.289 11.786 987 HB3 LYS 55 HB3 LYS 55 -12.265 32.592 12.459 988 HG2 LYS 55 HG2 LYS 55 -10.705 32.613 14.355 989 HG3 LYS 55 HG3 LYS 55 -10.391 31.018 13.728 990 HD2 LYS 55 HD2 LYS 55 -8.741 32.334 12.078 991 HD3 LYS 55 HD3 LYS 55 -8.799 33.560 13.336 992 HE2 LYS 55 HE2 LYS 55 -8.154 31.841 15.051 993 HE3 LYS 55 HE3 LYS 55 -8.009 30.641 13.766 994 HZ1 LYS 55 HZ1 LYS 55 -6.248 32.029 12.772 995 HZ2 LYS 55 HZ2 LYS 55 -5.851 31.623 14.303 996 HZ3 LYS 55 HZ3 LYS 55 -6.386 33.127 13.975 997 H LYS 56 H LYS 56 -13.517 30.276 11.464 998 HA LYS 56 HA LYS 56 -13.138 27.882 13.030 999 HB2 LYS 56 HB2 LYS 56 -15.271 28.686 11.067 1000 HB3 LYS 56 HB3 LYS 56 -15.210 27.087 11.806 1001 HG2 LYS 56 HG2 LYS 56 -16.550 28.177 13.291 1002 HG3 LYS 56 HG3 LYS 56 -14.975 28.314 14.095 1003 HD2 LYS 56 HD2 LYS 56 -14.748 30.624 13.416 1004 HD3 LYS 56 HD3 LYS 56 -16.253 30.517 12.466 1005 HE2 LYS 56 HE2 LYS 56 -17.544 30.892 14.240 1006 HE3 LYS 56 HE3 LYS 56 -16.777 29.596 15.141 1007 HZ1 LYS 56 HZ1 LYS 56 -16.561 31.775 16.228 1008 HZ2 LYS 56 HZ2 LYS 56 -15.670 32.353 14.989 1009 HZ3 LYS 56 HZ3 LYS 56 -15.104 31.136 15.934 1010 H LEU 57 H LEU 57 -12.924 28.244 9.456 1011 HA LEU 57 HA LEU 57 -12.455 25.434 8.985 1012 HB2 LEU 57 HB2 LEU 57 -13.549 26.896 7.505 1013 HB3 LEU 57 HB3 LEU 57 -12.149 27.950 7.299 1014 HG LEU 57 HG LEU 57 -12.169 25.036 6.440 1015 HD11 LEU 57 HD11 LEU 57 -12.831 27.551 4.832 1016 HD12 LEU 57 HD12 LEU 57 -13.979 26.274 5.282 1017 HD13 LEU 57 HD13 LEU 57 -12.664 25.923 4.148 1018 HD21 LEU 57 HD21 LEU 57 -10.410 27.388 5.652 1019 HD22 LEU 57 HD22 LEU 57 -10.420 25.833 4.802 1020 HD23 LEU 57 HD23 LEU 57 -9.885 25.904 6.471 1021 H VAL 58 H VAL 58 -10.249 28.262 9.172 1022 HA VAL 58 HA VAL 58 -7.959 26.568 8.640 1023 HB VAL 58 HB VAL 58 -8.216 28.954 7.947 1024 HG11 VAL 58 HG11 VAL 58 -8.860 29.739 10.273 1025 HG12 VAL 58 HG12 VAL 58 -7.142 29.722 10.677 1026 HG13 VAL 58 HG13 VAL 58 -7.756 30.765 9.358 1027 HG21 VAL 58 HG21 VAL 58 -6.092 27.763 7.728 1028 HG22 VAL 58 HG22 VAL 58 -5.837 29.471 8.118 1029 HG23 VAL 58 HG23 VAL 58 -5.639 28.241 9.384 1030 H THR 59 H THR 59 -9.619 27.495 11.549 1031 HA THR 59 HA THR 59 -7.423 26.802 13.355 1032 HB THR 59 HB THR 59 -9.381 28.328 13.946 1033 HG1 THR 59 HG1 THR 59 -7.946 27.817 15.459 1034 HG21 THR 59 HG21 THR 59 -11.182 27.098 15.241 1035 HG22 THR 59 HG22 THR 59 -10.744 25.634 14.363 1036 HG23 THR 59 HG23 THR 59 -11.278 27.049 13.476 1037 H LEU 60 H LEU 60 -10.264 25.138 11.957 1038 HA LEU 60 HA LEU 60 -10.130 22.652 13.183 1039 HB2 LEU 60 HB2 LEU 60 -11.031 23.565 10.550 1040 HB3 LEU 60 HB3 LEU 60 -10.397 21.934 10.490 1041 HG LEU 60 HG LEU 60 -12.703 21.823 10.803 1042 HD11 LEU 60 HD11 LEU 60 -12.997 20.404 12.601 1043 HD12 LEU 60 HD12 LEU 60 -11.702 21.139 13.575 1044 HD13 LEU 60 HD13 LEU 60 -11.316 20.155 12.147 1045 HD21 LEU 60 HD21 LEU 60 -13.277 23.886 11.654 1046 HD22 LEU 60 HD22 LEU 60 -12.353 23.643 13.157 1047 HD23 LEU 60 HD23 LEU 60 -13.833 22.677 12.816 1048 H TYR 61 H TYR 61 -8.266 23.453 10.292 1049 HA TYR 61 HA TYR 61 -6.539 21.080 10.411 1050 HB2 TYR 61 HB2 TYR 61 -5.903 21.677 8.375 1051 HB3 TYR 61 HB3 TYR 61 -6.963 23.073 8.486 1052 HD1 TYR 61 HD1 TYR 61 -3.531 21.796 8.788 1053 HD2 TYR 61 HD2 TYR 61 -5.968 25.328 8.777 1054 HE1 TYR 61 HE1 TYR 61 -1.477 23.203 8.571 1055 HE2 TYR 61 HE2 TYR 61 -3.923 26.744 8.616 1056 HH TYR 61 HH TYR 61 -1.635 26.778 8.487 1057 H ASP 62 H ASP 62 -6.134 24.295 11.503 1058 HA ASP 62 HA ASP 62 -3.403 24.209 12.305 1059 HB2 ASP 62 HB2 ASP 62 -4.611 26.316 11.982 1060 HB3 ASP 62 HB3 ASP 62 -5.524 26.008 13.471 1061 H ARG 63 H ARG 63 -6.184 22.911 14.029 1062 HA ARG 63 HA ARG 63 -4.105 21.852 15.938 1063 HB2 ARG 63 HB2 ARG 63 -7.051 22.239 16.534 1064 HB3 ARG 63 HB3 ARG 63 -6.037 21.120 17.412 1065 HG2 ARG 63 HG2 ARG 63 -5.861 24.124 17.469 1066 HG3 ARG 63 HG3 ARG 63 -6.083 22.918 18.754 1067 HD2 ARG 63 HD2 ARG 63 -3.635 22.163 17.968 1068 HD3 ARG 63 HD3 ARG 63 -3.561 23.834 17.438 1069 HE ARG 63 HE ARG 63 -3.357 24.473 19.651 1070 HH11 ARG 63 HH11 ARG 63 -4.828 21.302 19.683 1071 HH12 ARG 63 HH12 ARG 63 -4.736 21.150 21.417 1072 HH21 ARG 63 HH21 ARG 63 -3.020 24.107 21.836 1073 HH22 ARG 63 HH22 ARG 63 -3.566 22.607 22.543 1074 H PHE 64 H PHE 64 -6.690 20.760 13.745 1075 HA PHE 64 HA PHE 64 -6.733 18.086 14.535 1076 HB2 PHE 64 HB2 PHE 64 -8.286 18.662 12.891 1077 HB3 PHE 64 HB3 PHE 64 -7.070 19.485 11.906 1078 HD1 PHE 64 HD1 PHE 64 -8.106 16.051 13.013 1079 HD2 PHE 64 HD2 PHE 64 -5.951 18.411 10.147 1080 HE1 PHE 64 HE1 PHE 64 -7.674 14.007 11.658 1081 HE2 PHE 64 HE2 PHE 64 -5.459 16.373 8.807 1082 HZ PHE 64 HZ PHE 64 -6.316 14.160 9.582 1083 H ARG 65 H ARG 65 -4.415 19.513 12.138 1084 HA ARG 65 HA ARG 65 -3.273 16.823 11.818 1085 HB2 ARG 65 HB2 ARG 65 -2.237 17.515 9.991 1086 HB3 ARG 65 HB3 ARG 65 -3.727 18.477 10.033 1087 HG2 ARG 65 HG2 ARG 65 -2.636 20.484 10.404 1088 HG3 ARG 65 HG3 ARG 65 -1.049 19.687 10.658 1089 HD2 ARG 65 HD2 ARG 65 -2.698 19.782 8.095 1090 HD3 ARG 65 HD3 ARG 65 -1.202 20.659 8.396 1091 HE ARG 65 HE ARG 65 -1.532 17.738 7.851 1092 HH11 ARG 65 HH11 ARG 65 0.857 20.238 8.532 1093 HH12 ARG 65 HH12 ARG 65 2.155 19.189 8.032 1094 HH21 ARG 65 HH21 ARG 65 0.012 16.563 7.305 1095 HH22 ARG 65 HH22 ARG 65 1.700 17.093 7.323 1096 H PHE 66 H PHE 66 -2.188 19.786 12.941 1097 HA PHE 66 HA PHE 66 0.429 19.160 13.955 1098 HB2 PHE 66 HB2 PHE 66 -1.669 21.173 14.783 1099 HB3 PHE 66 HB3 PHE 66 -0.060 21.153 15.485 1100 HD1 PHE 66 HD2 PHE 66 1.981 21.369 13.901 1101 HD2 PHE 66 HD1 PHE 66 -2.052 22.330 12.717 1102 HE1 PHE 66 HE2 PHE 66 2.858 22.775 12.048 1103 HE2 PHE 66 HE1 PHE 66 -1.172 23.791 10.919 1104 HZ PHE 66 HZ PHE 66 1.279 23.995 10.557 1105 H GLU 67 H GLU 67 -2.671 19.251 15.787 1106 HA GLU 67 HA GLU 67 -1.350 17.865 18.070 1107 HB2 GLU 67 HB2 GLU 67 -3.496 20.040 18.103 1108 HB3 GLU 67 HB3 GLU 67 -3.062 19.036 19.468 1109 HG2 GLU 67 HG2 GLU 67 -1.226 20.942 17.944 1110 HG3 GLU 67 HG3 GLU 67 -1.923 21.234 19.529 1111 H ASN 68 H ASN 68 -4.709 18.543 17.433 1112 HA ASN 68 HA ASN 68 -5.624 15.871 17.271 1113 HB2 ASN 68 HB2 ASN 68 -6.945 15.887 19.472 1114 HB3 ASN 68 HB3 ASN 68 -5.232 15.514 19.538 1115 HD21 ASN 68 HD21 ASN 68 -6.708 18.719 19.375 1116 HD22 ASN 68 HD22 ASN 68 -6.115 19.233 20.994
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